NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16668 |
2ajj   |
6757 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 HT1 SER 1 -21.035 2.977 6.187
2 2H SER 1 HT2 SER 1 -21.723 2.236 7.552
3 3H SER 1 HT3 SER 1 -20.290 3.136 7.703
4 HA SER 1 HA SER 1 -23.047 4.123 7.242
5 1HB SER 1 HB2 SER 1 -22.146 5.594 9.187
6 2HB SER 1 HB1 SER 1 -22.495 3.903 9.531
7 HG SER 1 HG SER 1 -20.294 5.027 10.053
8 H GLY 2 HN GLY 2 -19.610 5.196 7.278
9 1HA GLY 2 HA2 GLY 2 -20.286 7.731 5.990
10 2HA GLY 2 HA1 GLY 2 -18.659 7.155 6.356
11 H ASN 3 HN ASN 3 -18.004 5.162 4.946
12 HA ASN 3 HA ASN 3 -19.207 5.167 2.238
13 1HB ASN 3 HB2 ASN 3 -17.313 7.021 2.804
14 2HB ASN 3 HB1 ASN 3 -16.274 5.677 2.330
15 1HD2 ASN 3 1HD2 ASN 3 -18.907 7.794 1.173
16 2HD2 ASN 3 2HD2 ASN 3 -18.662 7.469 -0.475
17 H TYR 4 HN TYR 4 -16.652 4.007 1.156
18 HA TYR 4 HA TYR 4 -16.152 1.583 2.742
19 1HB TYR 4 HB2 TYR 4 -17.140 0.068 1.068
20 2HB TYR 4 HB1 TYR 4 -18.358 1.174 1.696
21 HD1 TYR 4 HD1 TYR 4 -18.929 3.264 0.329
22 HD2 TYR 4 HD2 TYR 4 -16.635 -0.011 -1.244
23 HE1 TYR 4 HE1 TYR 4 -19.406 4.038 -1.976
24 HE2 TYR 4 HE2 TYR 4 -17.113 0.765 -3.550
25 HH TYR 4 HH TYR 4 -19.323 2.406 -4.514
26 H VAL 5 HN VAL 5 -15.688 3.318 -0.359
27 HA VAL 5 HA VAL 5 -13.586 1.725 -1.432
28 HB VAL 5 HB VAL 5 -13.024 3.786 -2.696
29 1HG1 VAL 5 1HG1 VAL 5 -15.005 2.425 -3.329
30 2HG1 VAL 5 2HG1 VAL 5 -15.211 4.131 -3.725
31 3HG1 VAL 5 3HG1 VAL 5 -16.011 3.452 -2.309
32 1HG2 VAL 5 1HG2 VAL 5 -13.149 5.526 -1.088
33 2HG2 VAL 5 2HG2 VAL 5 -14.778 5.066 -0.593
34 3HG2 VAL 5 3HG2 VAL 5 -14.515 5.823 -2.163
35 H LEU 6 HN LEU 6 -13.427 4.428 0.921
36 HA LEU 6 HA LEU 6 -10.588 4.671 1.075
37 1HB LEU 6 HB2 LEU 6 -12.975 5.473 2.545
38 2HB LEU 6 HB1 LEU 6 -11.653 5.095 3.649
39 HG LEU 6 HG LEU 6 -10.227 6.531 1.953
40 1HD1 LEU 6 1HD1 LEU 6 -11.415 8.178 0.743
41 2HD1 LEU 6 2HD1 LEU 6 -12.908 7.879 1.632
42 3HD1 LEU 6 3HD1 LEU 6 -12.333 6.700 0.453
43 1HD2 LEU 6 1HD2 LEU 6 -12.198 7.921 3.790
44 2HD2 LEU 6 2HD2 LEU 6 -10.571 8.451 3.367
45 3HD2 LEU 6 3HD2 LEU 6 -10.798 7.025 4.379
46 H ASP 7 HN ASP 7 -12.846 2.543 2.833
47 HA ASP 7 HA ASP 7 -10.891 1.254 4.506
48 1HB ASP 7 HB2 ASP 7 -13.701 1.099 3.831
49 2HB ASP 7 HB1 ASP 7 -13.018 -0.525 3.861
50 H LEU 8 HN LEU 8 -12.016 0.716 1.196
51 HA LEU 8 HA LEU 8 -10.661 -1.844 0.825
52 1HB LEU 8 HB2 LEU 8 -12.500 -0.103 -0.527
53 2HB LEU 8 HB1 LEU 8 -11.183 -0.486 -1.633
54 HG LEU 8 HG LEU 8 -11.702 -2.918 -0.400
55 1HD1 LEU 8 1HD1 LEU 8 -14.332 -1.549 -1.052
56 2HD1 LEU 8 2HD1 LEU 8 -13.769 -1.933 0.574
57 3HD1 LEU 8 3HD1 LEU 8 -14.128 -3.231 -0.564
58 1HD2 LEU 8 1HD2 LEU 8 -11.220 -2.604 -2.776
59 2HD2 LEU 8 2HD2 LEU 8 -12.764 -1.783 -3.010
60 3HD2 LEU 8 3HD2 LEU 8 -12.730 -3.499 -2.607
61 H ILE 9 HN ILE 9 -9.819 1.568 0.319
62 HA ILE 9 HA ILE 9 -7.604 1.367 -1.413
63 HB ILE 9 HB ILE 9 -8.198 3.106 0.998
64 1HG1 ILE 9 2HG1 ILE 9 -8.190 3.720 -1.974
65 2HG1 ILE 9 1HG1 ILE 9 -9.631 3.265 -1.070
66 1HG2 ILE 9 1HG2 ILE 9 -5.929 3.363 -1.002
67 2HG2 ILE 9 2HG2 ILE 9 -5.770 3.091 0.733
68 3HG2 ILE 9 3HG2 ILE 9 -6.406 4.623 0.136
69 1HD1 ILE 9 1HD1 ILE 9 -8.582 5.280 0.491
70 2HD1 ILE 9 2HD1 ILE 9 -9.872 5.488 -0.693
71 3HD1 ILE 9 3HD1 ILE 9 -8.201 5.832 -1.140
72 H TYR 10 HN TYR 10 -7.912 0.321 1.916
73 HA TYR 10 HA TYR 10 -5.188 0.141 2.704
74 1HB TYR 10 HB2 TYR 10 -6.184 -0.805 4.524
75 2HB TYR 10 HB1 TYR 10 -7.704 -0.499 3.700
76 HD1 TYR 10 HD1 TYR 10 -8.880 -2.322 2.499
77 HD2 TYR 10 HD2 TYR 10 -5.226 -3.038 4.638
78 HE1 TYR 10 HE1 TYR 10 -9.315 -4.759 2.423
79 HE2 TYR 10 HE2 TYR 10 -5.658 -5.477 4.558
80 HH TYR 10 HH TYR 10 -7.383 -6.980 2.631
81 H SER 11 HN SER 11 -7.189 -2.096 0.780
82 HA SER 11 HA SER 11 -5.081 -4.107 0.495
83 1HB SER 11 HB2 SER 11 -7.605 -4.452 0.426
84 2HB SER 11 HB1 SER 11 -7.594 -3.672 -1.153
85 HG SER 11 HG SER 11 -6.038 -5.302 -1.780
86 H LEU 12 HN LEU 12 -6.103 -1.218 -1.192
87 HA LEU 12 HA LEU 12 -4.647 -1.792 -3.667
88 1HB LEU 12 HB2 LEU 12 -6.605 -0.437 -3.814
89 2HB LEU 12 HB1 LEU 12 -6.125 0.540 -2.432
90 HG LEU 12 HG LEU 12 -4.248 1.469 -3.744
91 1HD1 LEU 12 1HD1 LEU 12 -5.364 -0.394 -5.842
92 2HD1 LEU 12 2HD1 LEU 12 -3.695 -0.231 -5.297
93 3HD1 LEU 12 3HD1 LEU 12 -4.425 1.030 -6.290
94 1HD2 LEU 12 1HD2 LEU 12 -6.356 2.685 -3.759
95 2HD2 LEU 12 2HD2 LEU 12 -6.983 1.653 -5.044
96 3HD2 LEU 12 3HD2 LEU 12 -5.652 2.761 -5.374
97 H HIS 13 HN HIS 13 -4.166 0.070 -0.705
98 HA HIS 13 HA HIS 13 -1.705 1.368 -1.499
99 1HB HIS 13 HB2 HIS 13 -3.505 1.799 0.410
100 2HB HIS 13 HB1 HIS 13 -2.416 0.780 1.352
101 HD1 HIS 13 HD1 HIS 13 -2.733 4.170 -0.119
102 HD2 HIS 13 HD2 HIS 13 0.274 1.856 1.605
103 HE1 HIS 13 HE1 HIS 13 -0.815 5.747 0.386
104 H LYS 14 HN LYS 14 -2.438 -1.689 0.208
105 HA LYS 14 HA LYS 14 0.159 -2.282 1.180
106 1HB LYS 14 HB2 LYS 14 -0.658 -4.566 1.298
107 2HB LYS 14 HB1 LYS 14 -1.998 -3.483 1.663
108 1HG LYS 14 HG2 LYS 14 -3.132 -4.641 0.082
109 2HG LYS 14 HG1 LYS 14 -2.172 -3.728 -1.080
110 1HD LYS 14 HD2 LYS 14 -0.704 -5.488 -1.465
111 2HD LYS 14 HD1 LYS 14 -1.009 -6.222 0.110
112 1HE LYS 14 HE2 LYS 14 -3.344 -6.787 -0.678
113 2HE LYS 14 HE1 LYS 14 -2.872 -6.224 -2.293
114 1HZ LYS 14 HZ1 LYS 14 -2.503 -8.642 -1.946
115 2HZ LYS 14 HZ2 LYS 14 -1.372 -8.267 -0.735
116 3HZ LYS 14 HZ3 LYS 14 -1.088 -7.797 -2.344
117 H GLN 15 HN GLN 15 -1.090 -2.434 -2.093
118 HA GLN 15 HA GLN 15 0.988 -4.120 -3.214
119 1HB GLN 15 HB2 GLN 15 -0.677 -1.953 -4.546
120 2HB GLN 15 HB1 GLN 15 0.074 -3.337 -5.336
121 1HG GLN 15 HG2 GLN 15 -1.407 -4.628 -3.471
122 2HG GLN 15 HG1 GLN 15 -2.414 -3.202 -3.717
123 1HE2 GLN 15 1HE2 GLN 15 -2.566 -2.652 -6.290
124 2HE2 GLN 15 2HE2 GLN 15 -2.926 -3.999 -7.258
125 H ILE 16 HN ILE 16 0.506 -0.598 -3.001
126 HA ILE 16 HA ILE 16 3.007 0.134 -4.252
127 HB ILE 16 HB ILE 16 1.154 1.577 -2.322
128 1HG1 ILE 16 2HG1 ILE 16 1.179 2.501 -5.076
129 2HG1 ILE 16 1HG1 ILE 16 0.792 0.782 -5.002
130 1HG2 ILE 16 1HG2 ILE 16 2.295 3.585 -3.644
131 2HG2 ILE 16 2HG2 ILE 16 3.618 2.429 -3.796
132 3HG2 ILE 16 3HG2 ILE 16 3.046 2.909 -2.198
133 1HD1 ILE 16 1HD1 ILE 16 -0.897 1.346 -3.197
134 2HD1 ILE 16 2HD1 ILE 16 -1.287 1.972 -4.799
135 3HD1 ILE 16 3HD1 ILE 16 -0.618 3.046 -3.570
136 H ASN 17 HN ASN 17 1.994 -0.535 -0.938
137 HA ASN 17 HA ASN 17 4.400 0.348 0.394
138 1HB ASN 17 HB2 ASN 17 1.872 -0.943 0.977
139 2HB ASN 17 HB1 ASN 17 3.173 -1.771 1.830
140 1HD2 ASN 17 1HD2 ASN 17 4.900 0.161 2.638
141 2HD2 ASN 17 2HD2 ASN 17 4.123 1.359 3.556
142 H ARG 18 HN ARG 18 3.389 -2.734 -1.075
143 HA ARG 18 HA ARG 18 5.488 -4.409 -0.105
144 1HB ARG 18 HB2 ARG 18 3.367 -4.417 -2.083
145 2HB ARG 18 HB1 ARG 18 4.818 -5.155 -2.760
146 1HG ARG 18 HG2 ARG 18 4.037 -7.023 -1.704
147 2HG ARG 18 HG1 ARG 18 4.811 -6.295 -0.299
148 1HD ARG 18 HD2 ARG 18 2.682 -5.241 0.359
149 2HD ARG 18 HD1 ARG 18 1.892 -5.942 -1.067
150 HE ARG 18 HE ARG 18 2.339 -8.184 -0.126
151 1HH1 ARG 18 1HH1 ARG 18 4.585 -7.183 1.718
152 2HH1 ARG 18 2HH1 ARG 18 3.822 -7.326 3.266
153 1HH2 ARG 18 1HH2 ARG 18 0.619 -7.628 1.952
154 2HH2 ARG 18 2HH2 ARG 18 1.569 -7.584 3.400
155 H GLY 19 HN GLY 19 5.267 -2.614 -3.212
156 1HA GLY 19 HA2 GLY 19 7.982 -3.176 -4.003
157 2HA GLY 19 HA1 GLY 19 6.957 -1.913 -4.690
158 H LEU 20 HN LEU 20 6.441 -0.395 -2.383
159 HA LEU 20 HA LEU 20 8.696 1.325 -2.209
160 1HB LEU 20 HB2 LEU 20 6.437 2.038 -1.700
161 2HB LEU 20 HB1 LEU 20 6.302 0.843 -0.412
162 HG LEU 20 HG LEU 20 8.078 1.998 0.852
163 1HD1 LEU 20 1HD1 LEU 20 8.011 3.886 -1.519
164 2HD1 LEU 20 2HD1 LEU 20 9.389 2.953 -0.935
165 3HD1 LEU 20 3HD1 LEU 20 8.761 4.293 0.024
166 1HD2 LEU 20 1HD2 LEU 20 6.790 4.052 1.383
167 2HD2 LEU 20 2HD2 LEU 20 5.735 2.648 1.229
168 3HD2 LEU 20 3HD2 LEU 20 5.838 3.821 -0.083
169 H LYS 21 HN LYS 21 7.611 -1.275 -0.041
170 HA LYS 21 HA LYS 21 9.671 -0.926 1.949
171 1HB LYS 21 HB2 LYS 21 7.471 -2.095 2.227
172 2HB LYS 21 HB1 LYS 21 8.065 -3.384 1.181
173 1HG LYS 21 HG2 LYS 21 10.081 -3.033 3.105
174 2HG LYS 21 HG1 LYS 21 8.569 -2.941 4.008
175 1HD LYS 21 HD2 LYS 21 8.010 -5.044 2.396
176 2HD LYS 21 HD1 LYS 21 9.759 -5.231 2.537
177 1HE LYS 21 HE2 LYS 21 9.660 -5.462 4.901
178 2HE LYS 21 HE1 LYS 21 8.012 -4.806 4.976
179 1HZ LYS 21 HZ1 LYS 21 7.184 -6.688 3.783
180 2HZ LYS 21 HZ2 LYS 21 8.101 -7.273 5.089
181 3HZ LYS 21 HZ3 LYS 21 8.748 -7.289 3.517
182 H LYS 22 HN LYS 22 9.402 -2.964 -0.951
183 HA LYS 22 HA LYS 22 11.764 -4.529 -0.591
184 1HB LYS 22 HB2 LYS 22 9.921 -4.936 -2.218
185 2HB LYS 22 HB1 LYS 22 10.449 -3.526 -3.137
186 1HG LYS 22 HG2 LYS 22 12.651 -5.371 -2.584
187 2HG LYS 22 HG1 LYS 22 11.351 -6.136 -3.498
188 1HD LYS 22 HD2 LYS 22 12.267 -3.403 -4.322
189 2HD LYS 22 HD1 LYS 22 13.263 -4.794 -4.752
190 1HE LYS 22 HE2 LYS 22 11.569 -5.756 -6.087
191 2HE LYS 22 HE1 LYS 22 10.290 -4.803 -5.308
192 1HZ LYS 22 HZ1 LYS 22 10.939 -3.900 -7.495
193 2HZ LYS 22 HZ2 LYS 22 12.517 -3.655 -6.915
194 3HZ LYS 22 HZ3 LYS 22 11.214 -2.799 -6.235
195 H ILE 23 HN ILE 23 11.275 -1.346 -2.098
196 HA ILE 23 HA ILE 23 13.907 -0.988 -3.160
197 HB ILE 23 HB ILE 23 11.775 0.916 -2.149
198 1HG1 ILE 23 2HG1 ILE 23 12.574 0.530 -5.017
199 2HG1 ILE 23 1HG1 ILE 23 11.571 -0.699 -4.246
200 1HG2 ILE 23 1HG2 ILE 23 13.791 2.193 -2.073
201 2HG2 ILE 23 2HG2 ILE 23 13.039 2.596 -3.616
202 3HG2 ILE 23 3HG2 ILE 23 14.393 1.467 -3.563
203 1HD1 ILE 23 1HD1 ILE 23 9.962 0.763 -5.103
204 2HD1 ILE 23 2HD1 ILE 23 10.943 2.192 -4.775
205 3HD1 ILE 23 3HD1 ILE 23 10.141 1.349 -3.450
206 H VAL 24 HN VAL 24 12.510 0.024 -0.037
207 HA VAL 24 HA VAL 24 14.997 1.071 1.029
208 HB VAL 24 HB VAL 24 12.363 0.185 2.252
209 1HG1 VAL 24 1HG1 VAL 24 13.866 0.052 4.071
210 2HG1 VAL 24 2HG1 VAL 24 13.215 1.687 4.188
211 3HG1 VAL 24 3HG1 VAL 24 14.817 1.423 3.499
212 1HG2 VAL 24 1HG2 VAL 24 13.556 2.864 1.482
213 2HG2 VAL 24 2HG2 VAL 24 12.124 2.708 2.499
214 3HG2 VAL 24 3HG2 VAL 24 12.094 2.115 0.839
215 H LEU 25 HN LEU 25 13.360 -2.047 1.111
216 HA LEU 25 HA LEU 25 14.995 -3.338 3.098
217 1HB LEU 25 HB2 LEU 25 12.837 -4.205 2.456
218 2HB LEU 25 HB1 LEU 25 13.305 -4.276 0.759
219 HG LEU 25 HG LEU 25 14.997 -6.000 1.309
220 1HD1 LEU 25 1HD1 LEU 25 14.067 -5.343 4.066
221 2HD1 LEU 25 2HD1 LEU 25 15.674 -5.798 3.501
222 3HD1 LEU 25 3HD1 LEU 25 14.436 -7.034 3.726
223 1HD2 LEU 25 1HD2 LEU 25 12.598 -6.562 0.704
224 2HD2 LEU 25 2HD2 LEU 25 12.284 -6.755 2.429
225 3HD2 LEU 25 3HD2 LEU 25 13.440 -7.812 1.620
226 H GLY 26 HN GLY 26 15.269 -2.995 -0.439
227 1HA GLY 26 HA2 GLY 26 17.595 -4.734 -0.647
228 2HA GLY 26 HA1 GLY 26 16.972 -3.681 -1.918
229 H TRP 27 HN TRP 27 17.113 -1.176 -0.773
230 HA TRP 27 HA TRP 27 19.952 -0.868 0.128
231 1HB TRP 27 HB2 TRP 27 19.357 -0.614 -2.439
232 2HB TRP 27 HB1 TRP 27 18.760 0.966 -1.932
233 HD1 TRP 27 HD1 TRP 27 21.946 -1.047 -2.357
234 HE1 TRP 27 HE1 TRP 27 23.977 0.510 -2.044
235 HE3 TRP 27 HE3 TRP 27 19.583 3.165 -0.699
236 HZ2 TRP 27 HZ2 TRP 27 24.525 3.189 -1.203
237 HZ3 TRP 27 HZ3 TRP 27 20.881 5.203 -0.150
238 HH2 TRP 27 HH2 TRP 27 23.347 5.220 -0.400
239 H ALA 28 HN ALA 28 20.268 0.877 1.534
240 HA ALA 28 HA ALA 28 17.898 2.619 2.126
241 1HB ALA 28 HB1 ALA 28 18.763 2.381 4.551
242 2HB ALA 28 HB2 ALA 28 19.714 1.025 3.944
243 3HB ALA 28 HB3 ALA 28 17.953 0.980 3.850
Start of MODEL 2
1 1H SER 1 HT1 SER 1 -17.703 5.372 8.590
2 2H SER 1 HT2 SER 1 -17.317 3.890 9.324
3 3H SER 1 HT3 SER 1 -17.574 5.272 10.279
4 HA SER 1 HA SER 1 -19.500 3.778 10.355
5 1HB SER 1 HB2 SER 1 -19.851 6.419 8.898
6 2HB SER 1 HB1 SER 1 -21.099 5.596 9.827
7 HG SER 1 HG SER 1 -20.181 7.022 11.216
8 H GLY 2 HN GLY 2 -19.423 5.395 7.137
9 1HA GLY 2 HA2 GLY 2 -20.583 2.885 5.985
10 2HA GLY 2 HA1 GLY 2 -20.990 4.497 5.394
11 H ASN 3 HN ASN 3 -19.942 5.041 3.556
12 HA ASN 3 HA ASN 3 -18.263 5.201 1.908
13 1HB ASN 3 HB2 ASN 3 -17.104 5.654 4.312
14 2HB ASN 3 HB1 ASN 3 -16.195 4.227 3.819
15 1HD2 ASN 3 1HD2 ASN 3 -15.501 7.264 3.931
16 2HD2 ASN 3 2HD2 ASN 3 -14.832 7.570 2.401
17 H TYR 4 HN TYR 4 -16.255 3.772 1.045
18 HA TYR 4 HA TYR 4 -16.500 0.886 1.498
19 1HB TYR 4 HB2 TYR 4 -18.490 1.299 0.146
20 2HB TYR 4 HB1 TYR 4 -17.547 2.224 -1.023
21 HD1 TYR 4 HD1 TYR 4 -16.477 1.149 -2.829
22 HD2 TYR 4 HD2 TYR 4 -17.871 -1.173 0.506
23 HE1 TYR 4 HE1 TYR 4 -15.947 -0.937 -4.060
24 HE2 TYR 4 HE2 TYR 4 -17.341 -3.258 -0.725
25 HH TYR 4 HH TYR 4 -15.455 -3.703 -2.862
26 H VAL 5 HN VAL 5 -15.540 3.194 -1.089
27 HA VAL 5 HA VAL 5 -13.228 1.703 -1.920
28 HB VAL 5 HB VAL 5 -12.664 3.804 -3.112
29 1HG1 VAL 5 1HG1 VAL 5 -14.613 3.892 -4.490
30 2HG1 VAL 5 2HG1 VAL 5 -15.662 3.402 -3.161
31 3HG1 VAL 5 3HG1 VAL 5 -14.532 2.245 -3.865
32 1HG2 VAL 5 1HG2 VAL 5 -13.131 5.519 -1.531
33 2HG2 VAL 5 2HG2 VAL 5 -14.778 4.945 -1.271
34 3HG2 VAL 5 3HG2 VAL 5 -14.347 5.727 -2.791
35 H LEU 6 HN LEU 6 -13.611 4.373 0.443
36 HA LEU 6 HA LEU 6 -10.847 4.842 0.983
37 1HB LEU 6 HB2 LEU 6 -13.071 6.020 1.744
38 2HB LEU 6 HB1 LEU 6 -12.999 4.891 3.097
39 HG LEU 6 HG LEU 6 -10.508 6.396 2.417
40 1HD1 LEU 6 1HD1 LEU 6 -12.783 7.619 4.007
41 2HD1 LEU 6 2HD1 LEU 6 -12.373 8.080 2.354
42 3HD1 LEU 6 3HD1 LEU 6 -11.219 8.354 3.657
43 1HD2 LEU 6 1HD2 LEU 6 -11.775 5.854 5.109
44 2HD2 LEU 6 2HD2 LEU 6 -10.075 6.140 4.740
45 3HD2 LEU 6 3HD2 LEU 6 -10.835 4.622 4.266
46 H ASP 7 HN ASP 7 -13.155 2.552 2.459
47 HA ASP 7 HA ASP 7 -11.288 1.379 4.324
48 1HB ASP 7 HB2 ASP 7 -14.034 1.149 3.498
49 2HB ASP 7 HB1 ASP 7 -13.327 -0.465 3.537
50 H LEU 8 HN LEU 8 -12.110 0.749 0.939
51 HA LEU 8 HA LEU 8 -10.668 -1.791 0.775
52 1HB LEU 8 HB2 LEU 8 -12.446 -0.167 -0.793
53 2HB LEU 8 HB1 LEU 8 -11.036 -0.566 -1.772
54 HG LEU 8 HG LEU 8 -11.584 -2.950 -0.469
55 1HD1 LEU 8 1HD1 LEU 8 -13.997 -3.333 -0.851
56 2HD1 LEU 8 2HD1 LEU 8 -14.187 -1.646 -1.329
57 3HD1 LEU 8 3HD1 LEU 8 -13.735 -2.047 0.328
58 1HD2 LEU 8 1HD2 LEU 8 -10.983 -2.472 -2.894
59 2HD2 LEU 8 2HD2 LEU 8 -12.692 -2.139 -3.173
60 3HD2 LEU 8 3HD2 LEU 8 -12.179 -3.747 -2.662
61 H ILE 9 HN ILE 9 -9.907 1.622 0.155
62 HA ILE 9 HA ILE 9 -7.559 1.435 -1.383
63 HB ILE 9 HB ILE 9 -8.510 3.231 0.847
64 1HG1 ILE 9 2HG1 ILE 9 -9.495 3.274 -1.488
65 2HG1 ILE 9 1HG1 ILE 9 -8.837 4.812 -0.938
66 1HG2 ILE 9 1HG2 ILE 9 -6.168 3.422 1.169
67 2HG2 ILE 9 2HG2 ILE 9 -6.578 4.772 0.111
68 3HG2 ILE 9 3HG2 ILE 9 -5.837 3.320 -0.561
69 1HD1 ILE 9 1HD1 ILE 9 -7.310 2.831 -2.653
70 2HD1 ILE 9 2HD1 ILE 9 -6.802 4.462 -2.217
71 3HD1 ILE 9 3HD1 ILE 9 -8.180 4.225 -3.291
72 H TYR 10 HN TYR 10 -8.063 0.629 2.001
73 HA TYR 10 HA TYR 10 -5.430 0.519 3.006
74 1HB TYR 10 HB2 TYR 10 -6.555 -0.416 4.754
75 2HB TYR 10 HB1 TYR 10 -8.003 -0.218 3.780
76 HD1 TYR 10 HD1 TYR 10 -8.984 -2.135 2.570
77 HD2 TYR 10 HD2 TYR 10 -5.472 -2.591 4.999
78 HE1 TYR 10 HE1 TYR 10 -9.281 -4.593 2.532
79 HE2 TYR 10 HE2 TYR 10 -5.767 -5.053 4.959
80 HH TYR 10 HH TYR 10 -8.508 -6.563 4.213
81 H SER 11 HN SER 11 -7.170 -1.857 0.995
82 HA SER 11 HA SER 11 -5.029 -3.825 0.948
83 1HB SER 11 HB2 SER 11 -7.525 -4.157 0.544
84 2HB SER 11 HB1 SER 11 -7.300 -3.380 -1.020
85 HG SER 11 HG SER 11 -5.853 -5.028 -1.568
86 H LEU 12 HN LEU 12 -6.127 -1.217 -1.225
87 HA LEU 12 HA LEU 12 -4.302 -1.631 -3.376
88 1HB LEU 12 HB2 LEU 12 -6.127 0.409 -2.340
89 2HB LEU 12 HB1 LEU 12 -4.726 1.127 -3.127
90 HG LEU 12 HG LEU 12 -6.518 -0.992 -4.353
91 1HD1 LEU 12 1HD1 LEU 12 -7.587 1.251 -4.093
92 2HD1 LEU 12 2HD1 LEU 12 -7.345 0.800 -5.781
93 3HD1 LEU 12 3HD1 LEU 12 -6.257 1.956 -5.013
94 1HD2 LEU 12 1HD2 LEU 12 -5.219 -0.117 -6.446
95 2HD2 LEU 12 2HD2 LEU 12 -4.413 -1.259 -5.371
96 3HD2 LEU 12 3HD2 LEU 12 -4.039 0.461 -5.268
97 H HIS 13 HN HIS 13 -3.969 0.035 -0.284
98 HA HIS 13 HA HIS 13 -1.428 1.297 -0.765
99 1HB HIS 13 HB2 HIS 13 -3.258 1.622 1.070
100 2HB HIS 13 HB1 HIS 13 -2.422 0.316 1.910
101 HD1 HIS 13 HD1 HIS 13 -2.122 3.910 0.997
102 HD2 HIS 13 HD2 HIS 13 0.292 0.960 2.681
103 HE1 HIS 13 HE1 HIS 13 -0.127 5.104 2.002
104 H LYS 14 HN LYS 14 -2.354 -1.927 0.422
105 HA LYS 14 HA LYS 14 0.205 -2.806 1.350
106 1HB LYS 14 HB2 LYS 14 -1.976 -4.412 -0.027
107 2HB LYS 14 HB1 LYS 14 -0.758 -5.043 1.076
108 1HG LYS 14 HG2 LYS 14 -3.131 -3.292 1.695
109 2HG LYS 14 HG1 LYS 14 -2.670 -4.819 2.434
110 1HD LYS 14 HD2 LYS 14 -0.929 -2.362 2.681
111 2HD LYS 14 HD1 LYS 14 -2.249 -2.675 3.804
112 1HE LYS 14 HE2 LYS 14 -0.346 -4.924 3.273
113 2HE LYS 14 HE1 LYS 14 0.214 -3.591 4.301
114 1HZ LYS 14 HZ1 LYS 14 -2.501 -4.571 4.767
115 2HZ LYS 14 HZ2 LYS 14 -1.340 -4.012 5.876
116 3HZ LYS 14 HZ3 LYS 14 -1.234 -5.588 5.251
117 H GLN 15 HN GLN 15 -1.193 -2.589 -1.865
118 HA GLN 15 HA GLN 15 0.802 -4.142 -3.268
119 1HB GLN 15 HB2 GLN 15 -0.916 -1.832 -4.242
120 2HB GLN 15 HB1 GLN 15 -0.203 -3.098 -5.242
121 1HG GLN 15 HG2 GLN 15 -1.573 -4.616 -3.447
122 2HG GLN 15 HG1 GLN 15 -2.607 -3.190 -3.506
123 1HE2 GLN 15 1HE2 GLN 15 -2.929 -2.394 -5.970
124 2HE2 GLN 15 2HE2 GLN 15 -3.291 -3.637 -7.066
125 H ILE 16 HN ILE 16 0.386 -0.656 -2.689
126 HA ILE 16 HA ILE 16 2.822 0.203 -3.962
127 HB ILE 16 HB ILE 16 1.024 1.348 -1.803
128 1HG1 ILE 16 2HG1 ILE 16 1.263 2.627 -4.457
129 2HG1 ILE 16 1HG1 ILE 16 0.577 1.003 -4.487
130 1HG2 ILE 16 1HG2 ILE 16 3.013 2.522 -1.400
131 2HG2 ILE 16 2HG2 ILE 16 2.203 3.548 -2.584
132 3HG2 ILE 16 3HG2 ILE 16 3.503 2.468 -3.094
133 1HD1 ILE 16 1HD1 ILE 16 -1.379 2.030 -3.967
134 2HD1 ILE 16 2HD1 ILE 16 -0.566 3.500 -3.430
135 3HD1 ILE 16 3HD1 ILE 16 -0.718 2.125 -2.334
136 H ASN 17 HN ASN 17 2.013 -0.894 -0.713
137 HA ASN 17 HA ASN 17 4.481 -0.210 0.596
138 1HB ASN 17 HB2 ASN 17 2.007 -1.662 1.091
139 2HB ASN 17 HB1 ASN 17 3.381 -2.504 1.806
140 1HD2 ASN 17 1HD2 ASN 17 2.443 0.976 1.432
141 2HD2 ASN 17 2HD2 ASN 17 2.745 1.373 3.054
142 H ARG 18 HN ARG 18 3.436 -3.073 -1.261
143 HA ARG 18 HA ARG 18 5.619 -4.810 -0.636
144 1HB ARG 18 HB2 ARG 18 3.784 -4.438 -3.014
145 2HB ARG 18 HB1 ARG 18 4.993 -5.721 -2.980
146 1HG ARG 18 HG2 ARG 18 3.734 -5.875 -0.482
147 2HG ARG 18 HG1 ARG 18 2.423 -5.582 -1.623
148 1HD ARG 18 HD2 ARG 18 2.556 -7.705 -2.401
149 2HD ARG 18 HD1 ARG 18 4.295 -7.528 -2.706
150 HE ARG 18 HE ARG 18 4.703 -8.573 -0.626
151 1HH1 ARG 18 1HH1 ARG 18 1.868 -9.708 -0.929
152 2HH1 ARG 18 2HH1 ARG 18 1.206 -9.354 0.630
153 1HH2 ARG 18 1HH2 ARG 18 3.699 -7.074 1.455
154 2HH2 ARG 18 2HH2 ARG 18 2.245 -7.851 1.986
155 H GLY 19 HN GLY 19 5.214 -2.462 -3.316
156 1HA GLY 19 HA2 GLY 19 7.883 -2.855 -4.365
157 2HA GLY 19 HA1 GLY 19 6.812 -1.506 -4.756
158 H LEU 20 HN LEU 20 6.381 -0.455 -2.197
159 HA LEU 20 HA LEU 20 8.621 1.247 -1.790
160 1HB LEU 20 HB2 LEU 20 6.388 1.829 -1.071
161 2HB LEU 20 HB1 LEU 20 6.291 0.398 -0.047
162 HG LEU 20 HG LEU 20 8.046 1.278 1.410
163 1HD1 LEU 20 1HD1 LEU 20 8.602 3.818 0.900
164 2HD1 LEU 20 2HD1 LEU 20 8.219 3.346 -0.755
165 3HD1 LEU 20 3HD1 LEU 20 9.517 2.531 0.117
166 1HD2 LEU 20 1HD2 LEU 20 5.946 3.390 0.823
167 2HD2 LEU 20 2HD2 LEU 20 6.823 3.190 2.340
168 3HD2 LEU 20 3HD2 LEU 20 5.683 1.952 1.811
169 H LYS 21 HN LYS 21 7.649 -1.726 -0.096
170 HA LYS 21 HA LYS 21 9.691 -1.736 1.906
171 1HB LYS 21 HB2 LYS 21 7.557 -3.113 1.733
172 2HB LYS 21 HB1 LYS 21 8.401 -4.122 0.557
173 1HG LYS 21 HG2 LYS 21 10.201 -3.922 2.678
174 2HG LYS 21 HG1 LYS 21 8.631 -4.086 3.466
175 1HD LYS 21 HD2 LYS 21 8.472 -5.935 1.417
176 2HD LYS 21 HD1 LYS 21 10.158 -6.060 1.922
177 1HE LYS 21 HE2 LYS 21 9.591 -6.709 4.110
178 2HE LYS 21 HE1 LYS 21 7.957 -6.026 3.990
179 1HZ LYS 21 HZ1 LYS 21 7.269 -7.713 2.557
180 2HZ LYS 21 HZ2 LYS 21 8.208 -8.544 3.705
181 3HZ LYS 21 HZ3 LYS 21 8.856 -8.184 2.176
182 H LYS 22 HN LYS 22 9.634 -2.965 -1.414
183 HA LYS 22 HA LYS 22 12.148 -4.367 -1.349
184 1HB LYS 22 HB2 LYS 22 10.324 -4.618 -3.039
185 2HB LYS 22 HB1 LYS 22 10.695 -3.002 -3.641
186 1HG LYS 22 HG2 LYS 22 13.142 -4.479 -3.524
187 2HG LYS 22 HG1 LYS 22 11.943 -5.475 -4.349
188 1HD LYS 22 HD2 LYS 22 12.173 -2.572 -5.074
189 2HD LYS 22 HD1 LYS 22 13.357 -3.712 -5.714
190 1HE LYS 22 HE2 LYS 22 11.713 -4.947 -6.892
191 2HE LYS 22 HE1 LYS 22 10.388 -4.264 -5.928
192 1HZ LYS 22 HZ1 LYS 22 10.799 -2.109 -6.851
193 2HZ LYS 22 HZ2 LYS 22 10.638 -3.203 -8.142
194 3HZ LYS 22 HZ3 LYS 22 12.178 -2.656 -7.676
195 H ILE 23 HN ILE 23 11.262 -1.023 -2.155
196 HA ILE 23 HA ILE 23 13.848 -0.144 -3.047
197 HB ILE 23 HB ILE 23 11.566 1.358 -1.716
198 1HG1 ILE 23 2HG1 ILE 23 10.643 0.360 -3.654
199 2HG1 ILE 23 1HG1 ILE 23 11.117 1.965 -4.197
200 1HG2 ILE 23 1HG2 ILE 23 14.161 2.197 -2.794
201 2HG2 ILE 23 2HG2 ILE 23 13.032 3.078 -1.765
202 3HG2 ILE 23 3HG2 ILE 23 12.802 3.060 -3.514
203 1HD1 ILE 23 1HD1 ILE 23 12.337 -0.689 -4.833
204 2HD1 ILE 23 2HD1 ILE 23 13.402 0.714 -4.757
205 3HD1 ILE 23 3HD1 ILE 23 12.049 0.695 -5.888
206 H VAL 24 HN VAL 24 12.264 -0.034 0.140
207 HA VAL 24 HA VAL 24 14.511 1.186 1.513
208 HB VAL 24 HB VAL 24 12.136 -0.440 2.491
209 1HG1 VAL 24 1HG1 VAL 24 14.322 1.043 3.882
210 2HG1 VAL 24 2HG1 VAL 24 13.437 -0.394 4.392
211 3HG1 VAL 24 3HG1 VAL 24 12.694 1.199 4.542
212 1HG2 VAL 24 1HG2 VAL 24 11.790 2.273 3.100
213 2HG2 VAL 24 2HG2 VAL 24 10.958 1.376 1.832
214 3HG2 VAL 24 3HG2 VAL 24 12.429 2.273 1.456
215 H LEU 25 HN LEU 25 13.463 -2.118 0.878
216 HA LEU 25 HA LEU 25 15.270 -3.477 2.664
217 1HB LEU 25 HB2 LEU 25 13.373 -4.646 1.847
218 2HB LEU 25 HB1 LEU 25 13.688 -4.164 0.182
219 HG LEU 25 HG LEU 25 15.708 -5.586 0.153
220 1HD1 LEU 25 1HD1 LEU 25 15.751 -7.284 2.160
221 2HD1 LEU 25 2HD1 LEU 25 14.902 -6.001 3.019
222 3HD1 LEU 25 3HD1 LEU 25 16.505 -5.702 2.348
223 1HD2 LEU 25 1HD2 LEU 25 13.242 -6.408 -0.272
224 2HD2 LEU 25 2HD2 LEU 25 13.501 -7.329 1.209
225 3HD2 LEU 25 3HD2 LEU 25 14.552 -7.585 -0.184
226 H GLY 26 HN GLY 26 15.478 -2.683 -0.832
227 1HA GLY 26 HA2 GLY 26 18.240 -3.700 -0.961
228 2HA GLY 26 HA1 GLY 26 17.324 -3.014 -2.303
229 H TRP 27 HN TRP 27 17.077 -0.646 -2.357
230 HA TRP 27 HA TRP 27 18.657 1.033 -0.559
231 1HB TRP 27 HB2 TRP 27 20.081 -0.314 -2.465
232 2HB TRP 27 HB1 TRP 27 19.684 1.165 -3.340
233 HD1 TRP 27 HD1 TRP 27 21.929 -0.190 -0.685
234 HE1 TRP 27 HE1 TRP 27 23.389 1.703 0.286
235 HE3 TRP 27 HE3 TRP 27 19.592 3.864 -2.730
236 HZ2 TRP 27 HZ2 TRP 27 23.541 4.558 0.206
237 HZ3 TRP 27 HZ3 TRP 27 20.413 6.155 -2.266
238 HH2 TRP 27 HH2 TRP 27 22.383 6.507 -0.803
239 H ALA 28 HN ALA 28 17.466 0.937 -3.950
240 HA ALA 28 HA ALA 28 15.670 3.230 -3.401
241 1HB ALA 28 HB1 ALA 28 17.882 4.201 -3.929
242 2HB ALA 28 HB2 ALA 28 16.722 4.555 -5.210
243 3HB ALA 28 HB3 ALA 28 17.924 3.285 -5.435
Start of MODEL 3
1 1H SER 1 HT1 SER 1 -13.565 10.020 6.952
2 2H SER 1 HT2 SER 1 -13.168 9.608 8.552
3 3H SER 1 HT3 SER 1 -13.656 11.191 8.176
4 HA SER 1 HA SER 1 -15.551 10.223 9.148
5 1HB SER 1 HB2 SER 1 -17.027 10.038 7.073
6 2HB SER 1 HB1 SER 1 -16.045 11.496 7.170
7 HG SER 1 HG SER 1 -16.060 10.202 5.121
8 H GLY 2 HN GLY 2 -14.658 8.105 6.374
9 1HA GLY 2 HA2 GLY 2 -14.250 5.712 6.643
10 2HA GLY 2 HA1 GLY 2 -15.252 5.743 8.096
11 H ASN 3 HN ASN 3 -15.270 5.513 4.619
12 HA ASN 3 HA ASN 3 -18.258 5.192 4.664
13 1HB ASN 3 HB2 ASN 3 -16.318 6.088 2.506
14 2HB ASN 3 HB1 ASN 3 -18.034 5.807 2.220
15 1HD2 ASN 3 1HD2 ASN 3 -16.494 8.400 2.087
16 2HD2 ASN 3 2HD2 ASN 3 -17.284 9.442 3.170
17 H TYR 4 HN TYR 4 -15.649 4.193 2.418
18 HA TYR 4 HA TYR 4 -15.908 1.355 2.972
19 1HB TYR 4 HB2 TYR 4 -18.098 2.027 1.833
20 2HB TYR 4 HB1 TYR 4 -17.143 2.360 0.389
21 HD1 TYR 4 HD1 TYR 4 -16.474 0.609 -1.057
22 HD2 TYR 4 HD2 TYR 4 -17.962 -0.312 2.866
23 HE1 TYR 4 HE1 TYR 4 -16.505 -1.802 -1.634
24 HE2 TYR 4 HE2 TYR 4 -17.993 -2.723 2.287
25 HH TYR 4 HH TYR 4 -17.983 -3.909 -0.653
26 H VAL 5 HN VAL 5 -15.351 3.523 0.153
27 HA VAL 5 HA VAL 5 -13.244 1.993 -1.015
28 HB VAL 5 HB VAL 5 -12.762 4.098 -2.234
29 1HG1 VAL 5 1HG1 VAL 5 -14.800 2.653 -2.726
30 2HG1 VAL 5 2HG1 VAL 5 -14.894 4.320 -3.293
31 3HG1 VAL 5 3HG1 VAL 5 -15.749 3.838 -1.828
32 1HG2 VAL 5 1HG2 VAL 5 -14.221 6.105 -1.631
33 2HG2 VAL 5 2HG2 VAL 5 -12.902 5.760 -0.513
34 3HG2 VAL 5 3HG2 VAL 5 -14.551 5.293 -0.100
35 H LEU 6 HN LEU 6 -13.144 4.582 1.449
36 HA LEU 6 HA LEU 6 -10.308 4.922 1.579
37 1HB LEU 6 HB2 LEU 6 -12.522 5.130 3.650
38 2HB LEU 6 HB1 LEU 6 -10.878 5.700 3.928
39 HG LEU 6 HG LEU 6 -12.364 6.619 1.482
40 1HD1 LEU 6 1HD1 LEU 6 -13.790 6.938 3.586
41 2HD1 LEU 6 2HD1 LEU 6 -13.418 8.398 2.668
42 3HD1 LEU 6 3HD1 LEU 6 -12.530 8.036 4.149
43 1HD2 LEU 6 1HD2 LEU 6 -10.933 8.617 1.853
44 2HD2 LEU 6 2HD2 LEU 6 -9.972 7.144 1.719
45 3HD2 LEU 6 3HD2 LEU 6 -10.273 7.858 3.303
46 H ASP 7 HN ASP 7 -12.491 2.673 3.284
47 HA ASP 7 HA ASP 7 -10.452 1.366 4.857
48 1HB ASP 7 HB2 ASP 7 -13.294 1.192 4.278
49 2HB ASP 7 HB1 ASP 7 -12.581 -0.419 4.300
50 H LEU 8 HN LEU 8 -11.730 0.899 1.587
51 HA LEU 8 HA LEU 8 -10.367 -1.638 1.105
52 1HB LEU 8 HB2 LEU 8 -12.292 0.106 -0.132
53 2HB LEU 8 HB1 LEU 8 -11.033 -0.276 -1.306
54 HG LEU 8 HG LEU 8 -11.449 -2.714 -0.096
55 1HD1 LEU 8 1HD1 LEU 8 -13.410 -1.779 1.114
56 2HD1 LEU 8 2HD1 LEU 8 -13.878 -3.051 -0.016
57 3HD1 LEU 8 3HD1 LEU 8 -14.144 -1.357 -0.434
58 1HD2 LEU 8 1HD2 LEU 8 -11.226 -2.503 -2.468
59 2HD2 LEU 8 2HD2 LEU 8 -12.647 -1.464 -2.581
60 3HD2 LEU 8 3HD2 LEU 8 -12.835 -3.176 -2.202
61 H ILE 9 HN ILE 9 -9.585 1.788 0.655
62 HA ILE 9 HA ILE 9 -7.487 1.688 -1.217
63 HB ILE 9 HB ILE 9 -7.996 3.297 1.290
64 1HG1 ILE 9 2HG1 ILE 9 -7.889 4.152 -1.613
65 2HG1 ILE 9 1HG1 ILE 9 -9.360 3.553 -0.853
66 1HG2 ILE 9 1HG2 ILE 9 -6.170 4.845 0.427
67 2HG2 ILE 9 2HG2 ILE 9 -5.653 3.522 -0.618
68 3HG2 ILE 9 3HG2 ILE 9 -5.598 3.335 1.135
69 1HD1 ILE 9 1HD1 ILE 9 -8.039 6.161 -0.570
70 2HD1 ILE 9 2HD1 ILE 9 -8.475 5.424 0.971
71 3HD1 ILE 9 3HD1 ILE 9 -9.714 5.710 -0.251
72 H TYR 10 HN TYR 10 -7.551 0.573 2.110
73 HA TYR 10 HA TYR 10 -4.791 0.298 2.686
74 1HB TYR 10 HB2 TYR 10 -5.699 -0.648 4.549
75 2HB TYR 10 HB1 TYR 10 -7.266 -0.355 3.814
76 HD1 TYR 10 HD1 TYR 10 -8.513 -2.176 2.720
77 HD2 TYR 10 HD2 TYR 10 -4.671 -2.872 4.513
78 HE1 TYR 10 HE1 TYR 10 -8.911 -4.619 2.621
79 HE2 TYR 10 HE2 TYR 10 -5.070 -5.316 4.411
80 HH TYR 10 HH TYR 10 -7.687 -6.748 4.262
81 H SER 11 HN SER 11 -6.980 -1.879 0.889
82 HA SER 11 HA SER 11 -4.959 -3.919 0.394
83 1HB SER 11 HB2 SER 11 -7.554 -4.055 0.409
84 2HB SER 11 HB1 SER 11 -7.466 -3.391 -1.220
85 HG SER 11 HG SER 11 -7.317 -5.863 -0.666
86 H LEU 12 HN LEU 12 -6.235 -1.100 -1.365
87 HA LEU 12 HA LEU 12 -4.851 -1.505 -3.844
88 1HB LEU 12 HB2 LEU 12 -6.684 0.251 -2.818
89 2HB LEU 12 HB1 LEU 12 -5.239 1.258 -2.824
90 HG LEU 12 HG LEU 12 -6.476 1.486 -4.939
91 1HD1 LEU 12 1HD1 LEU 12 -3.888 1.447 -4.773
92 2HD1 LEU 12 2HD1 LEU 12 -4.616 1.302 -6.373
93 3HD1 LEU 12 3HD1 LEU 12 -4.007 -0.132 -5.548
94 1HD2 LEU 12 1HD2 LEU 12 -5.805 -1.374 -5.594
95 2HD2 LEU 12 2HD2 LEU 12 -7.013 -0.321 -6.330
96 3HD2 LEU 12 3HD2 LEU 12 -7.293 -0.996 -4.727
97 H HIS 13 HN HIS 13 -3.909 -0.109 -0.755
98 HA HIS 13 HA HIS 13 -1.376 0.991 -1.682
99 1HB HIS 13 HB2 HIS 13 -2.926 1.543 0.381
100 2HB HIS 13 HB1 HIS 13 -2.012 0.254 1.166
101 HD1 HIS 13 HD1 HIS 13 -1.737 3.765 -0.008
102 HD2 HIS 13 HD2 HIS 13 0.828 0.800 1.404
103 HE1 HIS 13 HE1 HIS 13 0.452 4.916 0.544
104 H LYS 14 HN LYS 14 -2.464 -2.138 -0.493
105 HA LYS 14 HA LYS 14 -0.034 -3.252 0.446
106 1HB LYS 14 HB2 LYS 14 -2.672 -4.101 -0.384
107 2HB LYS 14 HB1 LYS 14 -1.464 -5.256 -0.948
108 1HG LYS 14 HG2 LYS 14 -2.190 -5.896 1.285
109 2HG LYS 14 HG1 LYS 14 -0.521 -5.330 1.364
110 1HD LYS 14 HD2 LYS 14 -1.676 -2.989 1.815
111 2HD LYS 14 HD1 LYS 14 -3.020 -3.999 2.344
112 1HE LYS 14 HE2 LYS 14 -0.169 -4.218 3.386
113 2HE LYS 14 HE1 LYS 14 -1.516 -3.451 4.247
114 1HZ LYS 14 HZ1 LYS 14 -1.493 -5.660 5.004
115 2HZ LYS 14 HZ2 LYS 14 -1.236 -6.294 3.450
116 3HZ LYS 14 HZ3 LYS 14 -2.743 -5.622 3.858
117 H GLN 15 HN GLN 15 -1.268 -2.966 -2.870
118 HA GLN 15 HA GLN 15 0.939 -4.474 -4.045
119 1HB GLN 15 HB2 GLN 15 -0.059 -3.715 -6.162
120 2HB GLN 15 HB1 GLN 15 -1.323 -4.255 -5.060
121 1HG GLN 15 HG2 GLN 15 -2.318 -2.255 -5.350
122 2HG GLN 15 HG1 GLN 15 -0.968 -1.529 -4.479
123 1HE2 GLN 15 1HE2 GLN 15 -2.618 -1.371 -7.399
124 2HE2 GLN 15 2HE2 GLN 15 -1.394 -0.682 -8.354
125 H ILE 16 HN ILE 16 0.378 -1.128 -3.190
126 HA ILE 16 HA ILE 16 2.656 -0.090 -4.730
127 HB ILE 16 HB ILE 16 0.857 1.087 -2.579
128 1HG1 ILE 16 2HG1 ILE 16 0.801 1.728 -5.526
129 2HG1 ILE 16 1HG1 ILE 16 -0.082 0.338 -4.896
130 1HG2 ILE 16 1HG2 ILE 16 1.709 3.261 -3.275
131 2HG2 ILE 16 2HG2 ILE 16 2.717 2.507 -4.510
132 3HG2 ILE 16 3HG2 ILE 16 3.068 2.242 -2.803
133 1HD1 ILE 16 1HD1 ILE 16 -0.930 2.132 -3.120
134 2HD1 ILE 16 2HD1 ILE 16 -1.718 1.953 -4.687
135 3HD1 ILE 16 3HD1 ILE 16 -0.552 3.251 -4.429
136 H ASN 17 HN ASN 17 1.874 -0.883 -1.369
137 HA ASN 17 HA ASN 17 4.401 -0.022 -0.237
138 1HB ASN 17 HB2 ASN 17 1.903 -0.806 0.650
139 2HB ASN 17 HB1 ASN 17 2.913 -2.167 1.125
140 1HD2 ASN 17 1HD2 ASN 17 3.105 1.453 1.181
141 2HD2 ASN 17 2HD2 ASN 17 3.814 1.527 2.722
142 H ARG 18 HN ARG 18 3.157 -3.113 -1.498
143 HA ARG 18 HA ARG 18 5.164 -4.890 -0.608
144 1HB ARG 18 HB2 ARG 18 3.105 -5.531 -1.799
145 2HB ARG 18 HB1 ARG 18 3.695 -4.751 -3.266
146 1HG ARG 18 HG2 ARG 18 4.070 -7.192 -3.347
147 2HG ARG 18 HG1 ARG 18 5.598 -6.314 -3.342
148 1HD ARG 18 HD2 ARG 18 6.206 -7.147 -1.299
149 2HD ARG 18 HD1 ARG 18 4.559 -7.006 -0.651
150 HE ARG 18 HE ARG 18 5.539 -9.254 -2.351
151 1HH1 ARG 18 1HH2 ARG 18 2.570 -8.339 -2.499
152 2HH1 ARG 18 2HH2 ARG 18 1.844 -9.483 -1.419
153 1HH2 ARG 18 1HH1 ARG 18 4.869 -10.481 -0.026
154 2HH2 ARG 18 2HH1 ARG 18 3.152 -10.704 -0.015
155 H GLY 19 HN GLY 19 5.141 -2.928 -3.613
156 1HA GLY 19 HA2 GLY 19 7.880 -3.680 -4.293
157 2HA GLY 19 HA1 GLY 19 6.899 -2.476 -5.128
158 H LEU 20 HN LEU 20 6.325 -1.097 -2.498
159 HA LEU 20 HA LEU 20 8.583 0.739 -2.535
160 1HB LEU 20 HB2 LEU 20 6.278 1.470 -2.182
161 2HB LEU 20 HB1 LEU 20 6.135 0.429 -0.769
162 HG LEU 20 HG LEU 20 7.917 1.732 0.358
163 1HD1 LEU 20 1HD1 LEU 20 9.303 2.718 -1.194
164 2HD1 LEU 20 2HD1 LEU 20 8.220 4.080 -0.911
165 3HD1 LEU 20 3HD1 LEU 20 7.986 3.045 -2.319
166 1HD2 LEU 20 1HD2 LEU 20 5.541 2.349 0.663
167 2HD2 LEU 20 2HD2 LEU 20 5.646 3.426 -0.730
168 3HD2 LEU 20 3HD2 LEU 20 6.580 3.773 0.724
169 H LYS 21 HN LYS 21 7.495 -1.871 -0.423
170 HA LYS 21 HA LYS 21 9.131 -1.394 1.850
171 1HB LYS 21 HB2 LYS 21 7.198 -3.080 1.330
172 2HB LYS 21 HB1 LYS 21 8.501 -4.141 0.797
173 1HG LYS 21 HG2 LYS 21 9.561 -3.392 3.133
174 2HG LYS 21 HG1 LYS 21 7.862 -3.151 3.542
175 1HD LYS 21 HD2 LYS 21 7.733 -5.573 2.307
176 2HD LYS 21 HD1 LYS 21 9.342 -5.665 3.023
177 1HE LYS 21 HE2 LYS 21 8.524 -5.701 5.173
178 2HE LYS 21 HE1 LYS 21 7.176 -4.615 4.786
179 1HZ LYS 21 HZ1 LYS 21 6.595 -7.043 5.166
180 2HZ LYS 21 HZ2 LYS 21 7.352 -7.360 3.677
181 3HZ LYS 21 HZ3 LYS 21 5.997 -6.336 3.744
182 H LYS 22 HN LYS 22 9.826 -3.398 -1.039
183 HA LYS 22 HA LYS 22 12.432 -4.240 -0.219
184 1HB LYS 22 HB2 LYS 22 12.688 -4.903 -2.532
185 2HB LYS 22 HB1 LYS 22 11.004 -5.162 -2.087
186 1HG LYS 22 HG2 LYS 22 10.515 -3.964 -3.948
187 2HG LYS 22 HG1 LYS 22 10.978 -2.556 -2.996
188 1HD LYS 22 HD2 LYS 22 12.330 -2.315 -4.887
189 2HD LYS 22 HD1 LYS 22 13.409 -3.155 -3.774
190 1HE LYS 22 HE2 LYS 22 13.642 -4.446 -5.726
191 2HE LYS 22 HE1 LYS 22 12.366 -5.330 -4.871
192 1HZ LYS 22 HZ1 LYS 22 11.383 -3.099 -6.416
193 2HZ LYS 22 HZ2 LYS 22 10.831 -4.704 -6.356
194 3HZ LYS 22 HZ3 LYS 22 12.129 -4.289 -7.369
195 H ILE 23 HN ILE 23 11.323 -1.218 -1.623
196 HA ILE 23 HA ILE 23 13.978 -0.254 -2.368
197 HB ILE 23 HB ILE 23 11.294 1.103 -1.942
198 1HG1 ILE 23 2HG1 ILE 23 11.321 -0.564 -3.765
199 2HG1 ILE 23 1HG1 ILE 23 11.193 1.069 -4.414
200 1HG2 ILE 23 1HG2 ILE 23 13.915 2.127 -3.053
201 2HG2 ILE 23 2HG2 ILE 23 12.942 2.819 -1.755
202 3HG2 ILE 23 3HG2 ILE 23 12.371 2.894 -3.421
203 1HD1 ILE 23 1HD1 ILE 23 13.731 1.031 -4.670
204 2HD1 ILE 23 2HD1 ILE 23 12.842 -0.048 -5.745
205 3HD1 ILE 23 3HD1 ILE 23 13.651 -0.696 -4.319
206 H VAL 24 HN VAL 24 11.913 -0.119 0.469
207 HA VAL 24 HA VAL 24 13.584 1.855 1.868
208 HB VAL 24 HB VAL 24 11.276 0.065 2.704
209 1HG1 VAL 24 1HG1 VAL 24 11.104 1.638 4.648
210 2HG1 VAL 24 2HG1 VAL 24 12.636 2.358 4.151
211 3HG1 VAL 24 3HG1 VAL 24 12.580 0.672 4.668
212 1HG2 VAL 24 1HG2 VAL 24 9.865 1.915 2.307
213 2HG2 VAL 24 2HG2 VAL 24 10.985 1.970 0.946
214 3HG2 VAL 24 3HG2 VAL 24 11.209 3.056 2.316
215 H LEU 25 HN LEU 25 13.175 -1.639 1.733
216 HA LEU 25 HA LEU 25 14.861 -2.219 4.051
217 1HB LEU 25 HB2 LEU 25 13.776 -3.866 1.744
218 2HB LEU 25 HB1 LEU 25 14.619 -4.557 3.129
219 HG LEU 25 HG LEU 25 12.169 -2.809 3.402
220 1HD1 LEU 25 1HD1 LEU 25 11.027 -5.051 3.874
221 2HD1 LEU 25 2HD1 LEU 25 12.431 -5.809 3.124
222 3HD1 LEU 25 3HD1 LEU 25 11.412 -4.717 2.186
223 1HD2 LEU 25 1HD2 LEU 25 13.611 -4.726 5.265
224 2HD2 LEU 25 2HD2 LEU 25 12.084 -3.927 5.645
225 3HD2 LEU 25 3HD2 LEU 25 13.547 -2.969 5.413
226 H GLY 26 HN GLY 26 15.282 -2.598 0.499
227 1HA GLY 26 HA2 GLY 26 18.225 -2.299 0.929
228 2HA GLY 26 HA1 GLY 26 17.624 -3.658 -0.014
229 H TRP 27 HN TRP 27 15.868 -0.680 -0.365
230 HA TRP 27 HA TRP 27 15.573 0.699 -2.260
231 1HB TRP 27 HB2 TRP 27 18.556 0.385 -1.890
232 2HB TRP 27 HB1 TRP 27 17.902 1.457 -3.127
233 HD1 TRP 27 HD1 TRP 27 16.840 3.707 -2.374
234 HE1 TRP 27 HE1 TRP 27 16.636 4.913 -0.103
235 HE3 TRP 27 HE3 TRP 27 18.268 -0.065 0.758
236 HZ2 TRP 27 HZ2 TRP 27 17.024 4.346 2.675
237 HZ3 TRP 27 HZ3 TRP 27 18.339 0.293 3.207
238 HH2 TRP 27 HH2 TRP 27 17.721 2.492 4.169
239 H ALA 28 HN ALA 28 17.186 0.795 -4.663
240 HA ALA 28 HA ALA 28 16.402 -1.818 -5.903
241 1HB ALA 28 HB1 ALA 28 15.186 0.151 -6.691
242 2HB ALA 28 HB2 ALA 28 16.258 -0.412 -7.973
243 3HB ALA 28 HB3 ALA 28 16.702 0.994 -7.005
Start of MODEL 4
1 1H SER 1 HT1 SER 1 -21.434 7.368 5.285
2 2H SER 1 HT2 SER 1 -19.922 7.838 5.900
3 3H SER 1 HT3 SER 1 -21.295 8.791 6.198
4 HA SER 1 HA SER 1 -20.638 7.449 8.155
5 1HB SER 1 HB2 SER 1 -23.274 6.755 6.816
6 2HB SER 1 HB1 SER 1 -22.956 6.741 8.548
7 HG SER 1 HG SER 1 -23.894 8.693 8.051
8 H GLY 2 HN GLY 2 -19.197 5.719 8.195
9 1HA GLY 2 HA2 GLY 2 -18.738 3.387 8.328
10 2HA GLY 2 HA1 GLY 2 -20.248 3.065 7.473
11 H ASN 3 HN ASN 3 -20.250 3.753 5.110
12 HA ASN 3 HA ASN 3 -19.340 3.558 2.944
13 1HB ASN 3 HB2 ASN 3 -17.508 5.075 4.630
14 2HB ASN 3 HB1 ASN 3 -16.647 4.240 3.339
15 1HD2 ASN 3 1HD2 ASN 3 -17.062 4.905 1.133
16 2HD2 ASN 3 2HD2 ASN 3 -18.000 6.272 0.766
17 H TYR 4 HN TYR 4 -16.851 2.698 2.037
18 HA TYR 4 HA TYR 4 -15.958 0.289 3.432
19 1HB TYR 4 HB2 TYR 4 -16.919 -1.315 1.869
20 2HB TYR 4 HB1 TYR 4 -18.219 -0.314 2.512
21 HD1 TYR 4 HD1 TYR 4 -16.367 -1.300 -0.458
22 HD2 TYR 4 HD2 TYR 4 -19.139 1.577 1.122
23 HE1 TYR 4 HE1 TYR 4 -16.973 -0.617 -2.763
24 HE2 TYR 4 HE2 TYR 4 -19.744 2.259 -1.183
25 HH TYR 4 HH TYR 4 -19.360 0.610 -3.749
26 H VAL 5 HN VAL 5 -16.047 2.119 0.356
27 HA VAL 5 HA VAL 5 -13.800 0.843 -0.882
28 HB VAL 5 HB VAL 5 -15.539 2.303 -1.958
29 1HG1 VAL 5 1HG1 VAL 5 -15.417 4.074 -0.128
30 2HG1 VAL 5 2HG1 VAL 5 -15.438 4.687 -1.781
31 3HG1 VAL 5 3HG1 VAL 5 -13.922 4.624 -0.884
32 1HG2 VAL 5 1HG2 VAL 5 -13.739 1.934 -3.387
33 2HG2 VAL 5 2HG2 VAL 5 -12.591 2.741 -2.319
34 3HG2 VAL 5 3HG2 VAL 5 -13.723 3.694 -3.277
35 H LEU 6 HN LEU 6 -13.954 3.718 1.287
36 HA LEU 6 HA LEU 6 -11.191 4.432 1.091
37 1HB LEU 6 HB2 LEU 6 -11.623 5.616 3.211
38 2HB LEU 6 HB1 LEU 6 -12.981 5.822 2.109
39 HG LEU 6 HG LEU 6 -13.749 3.561 3.433
40 1HD1 LEU 6 1HD1 LEU 6 -12.390 5.321 5.496
41 2HD1 LEU 6 2HD1 LEU 6 -11.730 3.789 4.925
42 3HD1 LEU 6 3HD1 LEU 6 -13.264 3.817 5.793
43 1HD2 LEU 6 1HD2 LEU 6 -15.138 5.541 3.064
44 2HD2 LEU 6 2HD2 LEU 6 -14.197 6.450 4.247
45 3HD2 LEU 6 3HD2 LEU 6 -15.195 5.094 4.769
46 H ASP 7 HN ASP 7 -12.842 1.927 2.938
47 HA ASP 7 HA ASP 7 -10.562 1.223 4.616
48 1HB ASP 7 HB2 ASP 7 -13.335 0.407 4.099
49 2HB ASP 7 HB1 ASP 7 -12.279 -0.973 4.391
50 H LEU 8 HN LEU 8 -11.892 0.203 1.497
51 HA LEU 8 HA LEU 8 -10.134 -2.073 1.098
52 1HB LEU 8 HB2 LEU 8 -12.339 -0.727 -0.156
53 2HB LEU 8 HB1 LEU 8 -11.074 -0.968 -1.358
54 HG LEU 8 HG LEU 8 -11.078 -3.374 0.011
55 1HD1 LEU 8 1HD1 LEU 8 -13.160 -2.676 1.180
56 2HD1 LEU 8 2HD1 LEU 8 -13.429 -4.069 0.134
57 3HD1 LEU 8 3HD1 LEU 8 -13.950 -2.465 -0.382
58 1HD2 LEU 8 1HD2 LEU 8 -12.781 -2.788 -2.428
59 2HD2 LEU 8 2HD2 LEU 8 -11.932 -4.284 -2.037
60 3HD2 LEU 8 3HD2 LEU 8 -11.018 -2.845 -2.490
61 H ILE 9 HN ILE 9 -9.907 1.392 0.392
62 HA ILE 9 HA ILE 9 -7.854 1.464 -1.540
63 HB ILE 9 HB ILE 9 -8.499 3.201 0.861
64 1HG1 ILE 9 2HG1 ILE 9 -8.880 3.705 -2.105
65 2HG1 ILE 9 1HG1 ILE 9 -10.120 2.983 -1.084
66 1HG2 ILE 9 1HG2 ILE 9 -6.188 3.668 0.410
67 2HG2 ILE 9 2HG2 ILE 9 -7.111 4.952 -0.369
68 3HG2 ILE 9 3HG2 ILE 9 -6.454 3.630 -1.334
69 1HD1 ILE 9 1HD1 ILE 9 -9.146 5.785 -1.182
70 2HD1 ILE 9 2HD1 ILE 9 -9.491 5.142 0.423
71 3HD1 ILE 9 3HD1 ILE 9 -10.754 5.165 -0.808
72 H TYR 10 HN TYR 10 -7.692 0.620 1.859
73 HA TYR 10 HA TYR 10 -4.911 0.874 2.376
74 1HB TYR 10 HB2 TYR 10 -5.598 -0.078 4.335
75 2HB TYR 10 HB1 TYR 10 -7.211 -0.062 3.643
76 HD1 TYR 10 HD1 TYR 10 -4.347 -2.120 4.581
77 HD2 TYR 10 HD2 TYR 10 -8.130 -2.124 2.546
78 HE1 TYR 10 HE1 TYR 10 -4.389 -4.597 4.661
79 HE2 TYR 10 HE2 TYR 10 -8.171 -4.600 2.626
80 HH TYR 10 HH TYR 10 -5.574 -6.468 3.167
81 H SER 11 HN SER 11 -6.740 -1.688 0.726
82 HA SER 11 HA SER 11 -4.443 -3.454 0.353
83 1HB SER 11 HB2 SER 11 -6.987 -3.971 0.419
84 2HB SER 11 HB1 SER 11 -7.020 -3.390 -1.242
85 HG SER 11 HG SER 11 -6.679 -5.649 -1.137
86 H LEU 12 HN LEU 12 -6.150 -0.975 -1.538
87 HA LEU 12 HA LEU 12 -4.735 -1.289 -4.019
88 1HB LEU 12 HB2 LEU 12 -6.582 0.563 -2.694
89 2HB LEU 12 HB1 LEU 12 -5.447 1.402 -3.747
90 HG LEU 12 HG LEU 12 -7.093 -0.996 -4.600
91 1HD1 LEU 12 1HD1 LEU 12 -8.378 1.156 -4.020
92 2HD1 LEU 12 2HD1 LEU 12 -8.620 0.501 -5.639
93 3HD1 LEU 12 3HD1 LEU 12 -7.552 1.882 -5.398
94 1HD2 LEU 12 1HD2 LEU 12 -6.425 -0.170 -6.883
95 2HD2 LEU 12 2HD2 LEU 12 -5.062 -0.726 -5.913
96 3HD2 LEU 12 3HD2 LEU 12 -5.366 1.001 -6.098
97 H HIS 13 HN HIS 13 -4.086 0.533 -1.064
98 HA HIS 13 HA HIS 13 -1.702 1.876 -2.127
99 1HB HIS 13 HB2 HIS 13 -3.425 2.528 -0.216
100 2HB HIS 13 HB1 HIS 13 -2.363 1.545 0.790
101 HD1 HIS 13 HD1 HIS 13 -2.393 4.701 -1.267
102 HD2 HIS 13 HD2 HIS 13 0.196 2.651 1.275
103 HE1 HIS 13 HE1 HIS 13 -0.456 6.265 -0.803
104 H LYS 14 HN LYS 14 -2.441 -0.938 -0.089
105 HA LYS 14 HA LYS 14 0.138 -1.576 0.870
106 1HB LYS 14 HB2 LYS 14 -1.881 -2.654 1.649
107 2HB LYS 14 HB1 LYS 14 -2.231 -3.272 0.036
108 1HG LYS 14 HG2 LYS 14 0.429 -4.058 0.957
109 2HG LYS 14 HG1 LYS 14 -0.844 -4.622 2.041
110 1HD LYS 14 HD2 LYS 14 -0.947 -4.993 -0.964
111 2HD LYS 14 HD1 LYS 14 -0.289 -6.204 0.137
112 1HE LYS 14 HE2 LYS 14 -2.389 -6.966 0.523
113 2HE LYS 14 HE1 LYS 14 -2.830 -5.378 1.178
114 1HZ LYS 14 HZ1 LYS 14 -3.099 -4.598 -1.144
115 2HZ LYS 14 HZ2 LYS 14 -4.203 -5.820 -0.725
116 3HZ LYS 14 HZ3 LYS 14 -2.848 -6.188 -1.684
117 H GLN 15 HN GLN 15 -1.279 -2.125 -2.331
118 HA GLN 15 HA GLN 15 0.680 -3.985 -3.309
119 1HB GLN 15 HB2 GLN 15 -0.407 -3.663 -5.352
120 2HB GLN 15 HB1 GLN 15 -1.647 -3.120 -4.226
121 1HG GLN 15 HG2 GLN 15 -0.663 -0.767 -4.516
122 2HG GLN 15 HG1 GLN 15 0.230 -1.426 -5.886
123 1HE2 GLN 15 1HE2 GLN 15 -1.551 0.542 -6.553
124 2HE2 GLN 15 2HE2 GLN 15 -2.940 -0.105 -7.281
125 H ILE 16 HN ILE 16 0.670 -0.496 -2.964
126 HA ILE 16 HA ILE 16 3.164 -0.120 -4.494
127 HB ILE 16 HB ILE 16 1.397 1.682 -2.799
128 1HG1 ILE 16 2HG1 ILE 16 1.678 2.236 -5.663
129 2HG1 ILE 16 1HG1 ILE 16 1.003 0.638 -5.348
130 1HG2 ILE 16 1HG2 ILE 16 3.477 2.767 -2.707
131 2HG2 ILE 16 2HG2 ILE 16 2.734 3.485 -4.135
132 3HG2 ILE 16 3HG2 ILE 16 3.945 2.215 -4.315
133 1HD1 ILE 16 1HD1 ILE 16 -0.019 3.229 -4.146
134 2HD1 ILE 16 2HD1 ILE 16 -0.708 1.626 -3.891
135 3HD1 ILE 16 3HD1 ILE 16 -0.769 2.368 -5.490
136 H ASN 17 HN ASN 17 2.055 -0.317 -1.157
137 HA ASN 17 HA ASN 17 4.501 0.507 0.131
138 1HB ASN 17 HB2 ASN 17 1.874 -0.632 0.782
139 2HB ASN 17 HB1 ASN 17 3.149 -1.200 1.859
140 1HD2 ASN 17 1HD2 ASN 17 3.661 0.195 3.560
141 2HD2 ASN 17 2HD2 ASN 17 3.294 1.851 3.599
142 H ARG 18 HN ARG 18 3.222 -2.673 -0.889
143 HA ARG 18 HA ARG 18 5.197 -4.338 0.323
144 1HB ARG 18 HB2 ARG 18 3.434 -4.493 -2.125
145 2HB ARG 18 HB1 ARG 18 4.555 -5.802 -1.748
146 1HG ARG 18 HG2 ARG 18 2.947 -4.868 0.547
147 2HG ARG 18 HG1 ARG 18 2.011 -5.615 -0.746
148 1HD ARG 18 HD2 ARG 18 4.527 -6.966 0.221
149 2HD ARG 18 HD1 ARG 18 3.014 -7.159 1.127
150 HE ARG 18 HE ARG 18 3.449 -8.010 -1.696
151 1HH1 ARG 18 1HH1 ARG 18 2.639 -9.885 0.540
152 2HH1 ARG 18 2HH1 ARG 18 0.941 -10.063 0.247
153 1HH2 ARG 18 1HH2 ARG 18 0.741 -7.300 -1.848
154 2HH2 ARG 18 2HH2 ARG 18 -0.135 -8.599 -1.112
155 H GLY 19 HN GLY 19 5.119 -2.904 -2.970
156 1HA GLY 19 HA2 GLY 19 7.769 -3.812 -3.683
157 2HA GLY 19 HA1 GLY 19 6.853 -2.558 -4.524
158 H LEU 20 HN LEU 20 6.458 -0.791 -2.331
159 HA LEU 20 HA LEU 20 8.829 0.784 -2.365
160 1HB LEU 20 HB2 LEU 20 6.673 1.741 -1.882
161 2HB LEU 20 HB1 LEU 20 6.417 0.633 -0.536
162 HG LEU 20 HG LEU 20 8.231 1.690 0.722
163 1HD1 LEU 20 1HD1 LEU 20 9.153 3.881 -0.287
164 2HD1 LEU 20 2HD1 LEU 20 8.557 3.273 -1.831
165 3HD1 LEU 20 3HD1 LEU 20 9.782 2.369 -0.941
166 1HD2 LEU 20 1HD2 LEU 20 7.203 3.933 1.025
167 2HD2 LEU 20 2HD2 LEU 20 5.986 2.660 0.935
168 3HD2 LEU 20 3HD2 LEU 20 6.283 3.696 -0.462
169 H LYS 21 HN LYS 21 7.610 -1.530 0.040
170 HA LYS 21 HA LYS 21 9.643 -1.174 2.022
171 1HB LYS 21 HB2 LYS 21 7.417 -2.373 2.198
172 2HB LYS 21 HB1 LYS 21 8.139 -3.705 1.296
173 1HG LYS 21 HG2 LYS 21 10.012 -3.576 3.130
174 2HG LYS 21 HG1 LYS 21 8.779 -2.733 4.069
175 1HD LYS 21 HD2 LYS 21 7.356 -4.592 4.118
176 2HD LYS 21 HD1 LYS 21 8.110 -5.330 2.705
177 1HE LYS 21 HE2 LYS 21 9.930 -4.924 5.013
178 2HE LYS 21 HE1 LYS 21 8.645 -6.122 5.262
179 1HZ LYS 21 HZ1 LYS 21 9.231 -7.134 3.135
180 2HZ LYS 21 HZ2 LYS 21 10.562 -7.140 4.191
181 3HZ LYS 21 HZ3 LYS 21 10.486 -6.010 2.925
182 H LYS 22 HN LYS 22 9.481 -3.237 -0.857
183 HA LYS 22 HA LYS 22 11.869 -4.766 -0.389
184 1HB LYS 22 HB2 LYS 22 10.061 -5.316 -2.005
185 2HB LYS 22 HB1 LYS 22 10.509 -3.908 -2.968
186 1HG LYS 22 HG2 LYS 22 12.726 -5.774 -2.331
187 2HG LYS 22 HG1 LYS 22 11.490 -6.404 -3.421
188 1HD LYS 22 HD2 LYS 22 11.945 -3.803 -4.338
189 2HD LYS 22 HD1 LYS 22 13.550 -4.402 -3.927
190 1HE LYS 22 HE2 LYS 22 13.309 -5.156 -6.143
191 2HE LYS 22 HE1 LYS 22 12.752 -6.569 -5.227
192 1HZ LYS 22 HZ1 LYS 22 10.529 -5.997 -5.538
193 2HZ LYS 22 HZ2 LYS 22 11.223 -5.672 -7.054
194 3HZ LYS 22 HZ3 LYS 22 10.885 -4.399 -5.981
195 H ILE 23 HN ILE 23 11.278 -1.660 -2.004
196 HA ILE 23 HA ILE 23 13.953 -1.279 -3.010
197 HB ILE 23 HB ILE 23 11.705 0.634 -2.297
198 1HG1 ILE 23 2HG1 ILE 23 11.103 -0.989 -4.035
199 2HG1 ILE 23 1HG1 ILE 23 11.316 0.603 -4.760
200 1HG2 ILE 23 1HG2 ILE 23 14.361 1.061 -3.651
201 2HG2 ILE 23 2HG2 ILE 23 13.580 2.042 -2.411
202 3HG2 ILE 23 3HG2 ILE 23 12.975 2.070 -4.067
203 1HD1 ILE 23 1HD1 ILE 23 12.465 -0.928 -6.194
204 2HD1 ILE 23 2HD1 ILE 23 13.236 -1.735 -4.829
205 3HD1 ILE 23 3HD1 ILE 23 13.719 -0.098 -5.273
206 H VAL 24 HN VAL 24 12.313 -0.219 -0.033
207 HA VAL 24 HA VAL 24 14.617 1.178 1.056
208 HB VAL 24 HB VAL 24 12.091 0.041 2.308
209 1HG1 VAL 24 1HG1 VAL 24 13.321 0.435 4.211
210 2HG1 VAL 24 2HG1 VAL 24 12.773 2.087 3.923
211 3HG1 VAL 24 3HG1 VAL 24 14.385 1.592 3.411
212 1HG2 VAL 24 1HG2 VAL 24 12.733 2.910 1.568
213 2HG2 VAL 24 2HG2 VAL 24 11.172 2.246 2.049
214 3HG2 VAL 24 3HG2 VAL 24 11.870 1.816 0.488
215 H LEU 25 HN LEU 25 13.361 -2.102 1.221
216 HA LEU 25 HA LEU 25 15.014 -3.078 3.373
217 1HB LEU 25 HB2 LEU 25 13.040 -4.269 2.775
218 2HB LEU 25 HB1 LEU 25 13.463 -4.275 1.066
219 HG LEU 25 HG LEU 25 15.350 -5.794 1.536
220 1HD1 LEU 25 1HD1 LEU 25 15.530 -6.817 3.792
221 2HD1 LEU 25 2HD1 LEU 25 14.273 -5.725 4.373
222 3HD1 LEU 25 3HD1 LEU 25 15.826 -5.079 3.841
223 1HD2 LEU 25 1HD2 LEU 25 12.804 -6.854 2.791
224 2HD2 LEU 25 2HD2 LEU 25 14.033 -7.774 1.924
225 3HD2 LEU 25 3HD2 LEU 25 13.007 -6.636 1.054
226 H GLY 26 HN GLY 26 15.386 -3.069 -0.189
227 1HA GLY 26 HA2 GLY 26 17.861 -4.538 -0.230
228 2HA GLY 26 HA1 GLY 26 17.257 -3.521 -1.537
229 H TRP 27 HN TRP 27 17.247 -1.020 -0.629
230 HA TRP 27 HA TRP 27 18.641 0.833 -0.200
231 1HB TRP 27 HB2 TRP 27 18.605 -0.918 1.974
232 2HB TRP 27 HB1 TRP 27 20.319 -0.580 1.744
233 HD1 TRP 27 HD1 TRP 27 18.313 0.539 4.114
234 HE1 TRP 27 HE1 TRP 27 18.305 3.080 4.537
235 HE3 TRP 27 HE3 TRP 27 20.241 2.191 -0.324
236 HZ2 TRP 27 HZ2 TRP 27 19.018 5.492 3.181
237 HZ3 TRP 27 HZ3 TRP 27 20.565 4.611 -0.727
238 HH2 TRP 27 HH2 TRP 27 19.957 6.264 1.017
239 H ALA 28 HN ALA 28 21.465 0.642 0.681
240 HA ALA 28 HA ALA 28 22.717 -0.530 -1.782
241 1HB ALA 28 HB1 ALA 28 24.252 1.515 -1.570
242 2HB ALA 28 HB2 ALA 28 23.090 2.139 -0.398
243 3HB ALA 28 HB3 ALA 28 22.591 1.847 -2.065
Start of MODEL 5
1 1H SER 1 HT1 SER 1 -24.971 4.287 7.018
2 2H SER 1 HT2 SER 1 -25.918 3.450 5.884
3 3H SER 1 HT3 SER 1 -25.007 4.803 5.403
4 HA SER 1 HA SER 1 -23.930 2.173 6.298
5 1HB SER 1 HB2 SER 1 -23.143 2.184 3.906
6 2HB SER 1 HB1 SER 1 -24.897 2.174 4.062
7 HG SER 1 HG SER 1 -24.468 3.773 2.631
8 H GLY 2 HN GLY 2 -21.574 2.092 6.268
9 1HA GLY 2 HA2 GLY 2 -20.318 4.763 6.733
10 2HA GLY 2 HA1 GLY 2 -19.719 3.243 7.392
11 H ASN 3 HN ASN 3 -20.762 3.791 4.043
12 HA ASN 3 HA ASN 3 -19.608 3.560 2.008
13 1HB ASN 3 HB2 ASN 3 -18.025 5.137 3.865
14 2HB ASN 3 HB1 ASN 3 -16.980 4.269 2.740
15 1HD2 ASN 3 1HD2 ASN 3 -19.477 6.762 2.977
16 2HD2 ASN 3 2HD2 ASN 3 -19.353 7.291 1.370
17 H TYR 4 HN TYR 4 -17.110 2.678 1.325
18 HA TYR 4 HA TYR 4 -16.279 0.337 2.868
19 1HB TYR 4 HB2 TYR 4 -17.066 -1.327 1.234
20 2HB TYR 4 HB1 TYR 4 -18.425 -0.400 1.859
21 HD1 TYR 4 HD1 TYR 4 -16.407 -1.195 -1.078
22 HD2 TYR 4 HD2 TYR 4 -19.473 1.388 0.466
23 HE1 TYR 4 HE1 TYR 4 -17.013 -0.533 -3.388
24 HE2 TYR 4 HE2 TYR 4 -20.077 2.050 -1.846
25 HH TYR 4 HH TYR 4 -18.605 2.065 -4.198
26 H VAL 5 HN VAL 5 -16.168 2.062 -0.268
27 HA VAL 5 HA VAL 5 -13.823 0.805 -1.310
28 HB VAL 5 HB VAL 5 -15.442 2.255 -2.547
29 1HG1 VAL 5 1HG1 VAL 5 -15.564 3.997 -0.694
30 2HG1 VAL 5 2HG1 VAL 5 -15.413 4.641 -2.329
31 3HG1 VAL 5 3HG1 VAL 5 -14.006 4.593 -1.267
32 1HG2 VAL 5 1HG2 VAL 5 -13.461 1.925 -3.752
33 2HG2 VAL 5 2HG2 VAL 5 -12.486 2.821 -2.589
34 3HG2 VAL 5 3HG2 VAL 5 -13.563 3.683 -3.686
35 H LEU 6 HN LEU 6 -14.176 3.653 0.848
36 HA LEU 6 HA LEU 6 -11.440 4.459 0.934
37 1HB LEU 6 HB2 LEU 6 -13.491 5.618 1.880
38 2HB LEU 6 HB1 LEU 6 -13.469 4.448 3.199
39 HG LEU 6 HG LEU 6 -10.859 5.714 2.725
40 1HD1 LEU 6 1HD1 LEU 6 -12.346 7.619 2.165
41 2HD1 LEU 6 2HD1 LEU 6 -11.485 7.890 3.681
42 3HD1 LEU 6 3HD1 LEU 6 -13.181 7.405 3.705
43 1HD2 LEU 6 1HD2 LEU 6 -11.444 4.302 4.685
44 2HD2 LEU 6 2HD2 LEU 6 -12.657 5.490 5.162
45 3HD2 LEU 6 3HD2 LEU 6 -10.947 5.923 5.174
46 H ASP 7 HN ASP 7 -13.218 1.987 2.767
47 HA ASP 7 HA ASP 7 -11.049 1.203 4.506
48 1HB ASP 7 HB2 ASP 7 -13.759 0.339 3.714
49 2HB ASP 7 HB1 ASP 7 -12.705 -0.991 4.185
50 H LEU 8 HN LEU 8 -12.123 0.218 1.273
51 HA LEU 8 HA LEU 8 -10.323 -2.049 1.013
52 1HB LEU 8 HB2 LEU 8 -12.446 -0.732 -0.409
53 2HB LEU 8 HB1 LEU 8 -11.095 -0.984 -1.513
54 HG LEU 8 HG LEU 8 -11.186 -3.368 -0.106
55 1HD1 LEU 8 1HD1 LEU 8 -14.026 -2.486 -0.730
56 2HD1 LEU 8 2HD1 LEU 8 -13.354 -2.670 0.891
57 3HD1 LEU 8 3HD1 LEU 8 -13.536 -4.079 -0.153
58 1HD2 LEU 8 1HD2 LEU 8 -12.669 -2.788 -2.690
59 2HD2 LEU 8 2HD2 LEU 8 -11.935 -4.315 -2.200
60 3HD2 LEU 8 3HD2 LEU 8 -10.914 -2.930 -2.588
61 H ILE 9 HN ILE 9 -10.075 1.416 0.306
62 HA ILE 9 HA ILE 9 -7.908 1.509 -1.487
63 HB ILE 9 HB ILE 9 -8.701 3.205 0.894
64 1HG1 ILE 9 2HG1 ILE 9 -10.235 3.128 -1.059
65 2HG1 ILE 9 1HG1 ILE 9 -9.534 4.728 -0.840
66 1HG2 ILE 9 1HG2 ILE 9 -6.382 3.697 0.659
67 2HG2 ILE 9 2HG2 ILE 9 -7.219 4.976 -0.221
68 3HG2 ILE 9 3HG2 ILE 9 -6.471 3.643 -1.102
69 1HD1 ILE 9 1HD1 ILE 9 -9.102 4.516 -3.081
70 2HD1 ILE 9 2HD1 ILE 9 -9.107 2.755 -3.020
71 3HD1 ILE 9 3HD1 ILE 9 -7.683 3.650 -2.493
72 H TYR 10 HN TYR 10 -7.946 0.709 1.929
73 HA TYR 10 HA TYR 10 -5.216 0.919 2.630
74 1HB TYR 10 HB2 TYR 10 -6.063 -0.003 4.532
75 2HB TYR 10 HB1 TYR 10 -7.613 -0.039 3.708
76 HD1 TYR 10 HD1 TYR 10 -8.496 -2.130 2.760
77 HD2 TYR 10 HD2 TYR 10 -4.676 -2.020 4.721
78 HE1 TYR 10 HE1 TYR 10 -8.483 -4.602 2.870
79 HE2 TYR 10 HE2 TYR 10 -4.664 -4.496 4.829
80 HH TYR 10 HH TYR 10 -7.003 -6.354 4.729
81 H SER 11 HN SER 11 -6.920 -1.752 0.969
82 HA SER 11 HA SER 11 -4.602 -3.489 0.770
83 1HB SER 11 HB2 SER 11 -7.118 -4.030 0.621
84 2HB SER 11 HB1 SER 11 -7.047 -3.410 -1.026
85 HG SER 11 HG SER 11 -5.505 -4.993 -1.497
86 H LEU 12 HN LEU 12 -6.119 -1.062 -1.345
87 HA LEU 12 HA LEU 12 -4.476 -1.441 -3.661
88 1HB LEU 12 HB2 LEU 12 -6.645 0.068 -2.937
89 2HB LEU 12 HB1 LEU 12 -5.381 1.296 -2.959
90 HG LEU 12 HG LEU 12 -6.477 1.118 -5.159
91 1HD1 LEU 12 1HD1 LEU 12 -4.502 1.079 -6.465
92 2HD1 LEU 12 2HD1 LEU 12 -3.726 -0.103 -5.411
93 3HD1 LEU 12 3HD1 LEU 12 -3.954 1.556 -4.858
94 1HD2 LEU 12 1HD2 LEU 12 -7.006 -1.367 -4.833
95 2HD2 LEU 12 2HD2 LEU 12 -5.343 -1.683 -5.327
96 3HD2 LEU 12 3HD2 LEU 12 -6.459 -0.897 -6.442
97 H HIS 13 HN HIS 13 -4.124 0.582 -0.768
98 HA HIS 13 HA HIS 13 -1.697 1.915 -1.592
99 1HB HIS 13 HB2 HIS 13 -3.499 2.398 0.285
100 2HB HIS 13 HB1 HIS 13 -2.435 1.395 1.275
101 HD1 HIS 13 HD1 HIS 13 -2.584 4.688 -0.506
102 HD2 HIS 13 HD2 HIS 13 0.150 2.513 1.767
103 HE1 HIS 13 HE1 HIS 13 -0.673 6.266 0.022
104 H LYS 14 HN LYS 14 -2.363 -1.094 0.202
105 HA LYS 14 HA LYS 14 0.298 -1.594 1.114
106 1HB LYS 14 HB2 LYS 14 -1.858 -2.751 1.784
107 2HB LYS 14 HB1 LYS 14 -1.787 -3.620 0.252
108 1HG LYS 14 HG2 LYS 14 -0.779 -4.773 2.356
109 2HG LYS 14 HG1 LYS 14 0.161 -4.799 0.864
110 1HD LYS 14 HD2 LYS 14 1.510 -2.920 1.624
111 2HD LYS 14 HD1 LYS 14 0.509 -2.740 3.065
112 1HE LYS 14 HE2 LYS 14 1.310 -4.773 4.010
113 2HE LYS 14 HE1 LYS 14 1.985 -5.317 2.459
114 1HZ LYS 14 HZ1 LYS 14 3.670 -4.333 3.978
115 2HZ LYS 14 HZ2 LYS 14 2.846 -2.849 3.881
116 3HZ LYS 14 HZ3 LYS 14 3.553 -3.524 2.490
117 H GLN 15 HN GLN 15 -1.245 -2.021 -2.004
118 HA GLN 15 HA GLN 15 0.624 -3.792 -3.250
119 1HB GLN 15 HB2 GLN 15 -1.644 -3.050 -4.076
120 2HB GLN 15 HB1 GLN 15 -0.936 -1.480 -4.453
121 1HG GLN 15 HG2 GLN 15 0.841 -3.094 -5.709
122 2HG GLN 15 HG1 GLN 15 -0.612 -4.085 -5.842
123 1HE2 GLN 15 1HE2 GLN 15 0.326 -0.614 -6.272
124 2HE2 GLN 15 2HE2 GLN 15 -0.642 -0.379 -7.645
125 H ILE 16 HN ILE 16 0.553 -0.271 -2.865
126 HA ILE 16 HA ILE 16 3.012 0.232 -4.347
127 HB ILE 16 HB ILE 16 1.334 1.821 -2.374
128 1HG1 ILE 16 2HG1 ILE 16 1.459 2.807 -5.097
129 2HG1 ILE 16 1HG1 ILE 16 0.953 1.118 -5.082
130 1HG2 ILE 16 1HG2 ILE 16 3.381 2.933 -2.213
131 2HG2 ILE 16 2HG2 ILE 16 2.632 3.771 -3.572
132 3HG2 ILE 16 3HG2 ILE 16 3.848 2.527 -3.864
133 1HD1 ILE 16 1HD1 ILE 16 -0.734 1.721 -3.307
134 2HD1 ILE 16 2HD1 ILE 16 -1.033 2.477 -4.873
135 3HD1 ILE 16 3HD1 ILE 16 -0.312 3.413 -3.564
136 H ASN 17 HN ASN 17 2.119 -0.213 -0.953
137 HA ASN 17 HA ASN 17 4.662 0.414 0.240
138 1HB ASN 17 HB2 ASN 17 2.130 -0.143 1.079
139 2HB ASN 17 HB1 ASN 17 2.926 -1.671 1.451
140 1HD2 ASN 17 1HD2 ASN 17 2.747 1.735 2.331
141 2HD2 ASN 17 2HD2 ASN 17 3.797 1.633 3.661
142 H ARG 18 HN ARG 18 3.232 -2.644 -0.925
143 HA ARG 18 HA ARG 18 5.272 -4.440 -0.065
144 1HB ARG 18 HB2 ARG 18 3.223 -4.354 -2.270
145 2HB ARG 18 HB1 ARG 18 4.360 -5.700 -2.188
146 1HG ARG 18 HG2 ARG 18 3.107 -5.004 0.394
147 2HG ARG 18 HG1 ARG 18 1.984 -5.607 -0.824
148 1HD ARG 18 HD2 ARG 18 4.505 -7.143 -0.670
149 2HD ARG 18 HD1 ARG 18 3.500 -7.233 0.791
150 HE ARG 18 HE ARG 18 1.739 -8.218 -0.509
151 1HH1 ARG 18 1HH1 ARG 18 1.989 -6.509 -2.960
152 2HH1 ARG 18 2HH1 ARG 18 2.567 -7.636 -4.139
153 1HH2 ARG 18 1HH2 ARG 18 3.526 -10.008 -1.786
154 2HH2 ARG 18 2HH2 ARG 18 3.434 -9.627 -3.473
155 H GLY 19 HN GLY 19 4.996 -2.521 -3.073
156 1HA GLY 19 HA2 GLY 19 7.534 -3.564 -4.114
157 2HA GLY 19 HA1 GLY 19 6.543 -2.312 -4.862
158 H LEU 20 HN LEU 20 6.525 -0.970 -2.053
159 HA LEU 20 HA LEU 20 8.880 0.716 -2.546
160 1HB LEU 20 HB2 LEU 20 6.784 1.768 -2.024
161 2HB LEU 20 HB1 LEU 20 6.540 0.727 -0.624
162 HG LEU 20 HG LEU 20 8.453 1.765 0.511
163 1HD1 LEU 20 1HD1 LEU 20 9.954 2.380 -1.200
164 2HD1 LEU 20 2HD1 LEU 20 9.326 3.930 -0.643
165 3HD1 LEU 20 3HD1 LEU 20 8.702 3.207 -2.126
166 1HD2 LEU 20 1HD2 LEU 20 6.487 3.773 -0.636
167 2HD2 LEU 20 2HD2 LEU 20 7.488 4.040 0.791
168 3HD2 LEU 20 3HD2 LEU 20 6.243 2.790 0.808
169 H LYS 21 HN LYS 21 7.731 -1.512 -0.021
170 HA LYS 21 HA LYS 21 9.832 -1.042 1.863
171 1HB LYS 21 HB2 LYS 21 9.040 -3.134 2.864
172 2HB LYS 21 HB1 LYS 21 7.667 -2.174 2.321
173 1HG LYS 21 HG2 LYS 21 6.979 -4.003 1.194
174 2HG LYS 21 HG1 LYS 21 8.328 -3.730 0.096
175 1HD LYS 21 HD2 LYS 21 9.723 -5.258 1.235
176 2HD LYS 21 HD1 LYS 21 8.714 -5.236 2.680
177 1HE LYS 21 HE2 LYS 21 7.586 -6.228 0.057
178 2HE LYS 21 HE1 LYS 21 8.530 -7.306 1.103
179 1HZ LYS 21 HZ1 LYS 21 5.945 -6.019 1.616
180 2HZ LYS 21 HZ2 LYS 21 6.995 -6.226 2.935
181 3HZ LYS 21 HZ3 LYS 21 6.477 -7.572 2.037
182 H LYS 22 HN LYS 22 9.721 -3.094 -1.009
183 HA LYS 22 HA LYS 22 12.129 -4.595 -0.356
184 1HB LYS 22 HB2 LYS 22 11.895 -5.425 -2.630
185 2HB LYS 22 HB1 LYS 22 10.288 -5.314 -1.916
186 1HG LYS 22 HG2 LYS 22 9.763 -4.171 -3.811
187 2HG LYS 22 HG1 LYS 22 10.560 -2.817 -3.013
188 1HD LYS 22 HD2 LYS 22 12.064 -2.773 -4.686
189 2HD LYS 22 HD1 LYS 22 12.625 -4.365 -4.174
190 1HE LYS 22 HE2 LYS 22 11.791 -5.268 -6.075
191 2HE LYS 22 HE1 LYS 22 10.170 -4.694 -5.642
192 1HZ LYS 22 HZ1 LYS 22 10.716 -2.523 -6.523
193 2HZ LYS 22 HZ2 LYS 22 10.963 -3.697 -7.725
194 3HZ LYS 22 HZ3 LYS 22 12.291 -3.029 -6.903
195 H ILE 23 HN ILE 23 11.500 -1.466 -1.773
196 HA ILE 23 HA ILE 23 14.052 -1.145 -3.120
197 HB ILE 23 HB ILE 23 11.959 0.800 -2.083
198 1HG1 ILE 23 2HG1 ILE 23 12.537 -0.042 -4.935
199 2HG1 ILE 23 1HG1 ILE 23 11.368 -0.888 -3.922
200 1HG2 ILE 23 1HG2 ILE 23 14.203 1.331 -4.055
201 2HG2 ILE 23 2HG2 ILE 23 14.232 1.836 -2.366
202 3HG2 ILE 23 3HG2 ILE 23 13.019 2.495 -3.462
203 1HD1 ILE 23 1HD1 ILE 23 10.046 0.696 -5.056
204 2HD1 ILE 23 2HD1 ILE 23 11.278 1.952 -4.926
205 3HD1 ILE 23 3HD1 ILE 23 10.356 1.470 -3.502
206 H VAL 24 HN VAL 24 12.808 -0.401 0.108
207 HA VAL 24 HA VAL 24 15.355 0.826 0.962
208 HB VAL 24 HB VAL 24 12.697 0.205 2.290
209 1HG1 VAL 24 1HG1 VAL 24 15.254 1.330 3.426
210 2HG1 VAL 24 2HG1 VAL 24 14.185 0.107 4.112
211 3HG1 VAL 24 3HG1 VAL 24 13.691 1.800 4.095
212 1HG2 VAL 24 1HG2 VAL 24 14.005 2.869 1.674
213 2HG2 VAL 24 2HG2 VAL 24 12.339 2.584 2.176
214 3HG2 VAL 24 3HG2 VAL 24 12.878 2.073 0.576
215 H LEU 25 HN LEU 25 13.631 -2.221 1.216
216 HA LEU 25 HA LEU 25 15.284 -3.373 3.316
217 1HB LEU 25 HB2 LEU 25 13.013 -4.121 2.925
218 2HB LEU 25 HB1 LEU 25 13.370 -4.479 1.237
219 HG LEU 25 HG LEU 25 15.050 -6.180 2.032
220 1HD1 LEU 25 1HD1 LEU 25 15.476 -5.364 4.271
221 2HD1 LEU 25 2HD1 LEU 25 14.728 -6.954 4.413
222 3HD1 LEU 25 3HD1 LEU 25 13.769 -5.501 4.696
223 1HD2 LEU 25 1HD2 LEU 25 12.213 -6.610 3.020
224 2HD2 LEU 25 2HD2 LEU 25 13.363 -7.865 2.560
225 3HD2 LEU 25 3HD2 LEU 25 12.722 -6.768 1.339
226 H GLY 26 HN GLY 26 15.222 -3.665 -0.267
227 1HA GLY 26 HA2 GLY 26 18.076 -4.461 -0.188
228 2HA GLY 26 HA1 GLY 26 16.954 -5.603 -0.925
229 H TRP 27 HN TRP 27 18.506 -2.484 -1.276
230 HA TRP 27 HA TRP 27 17.188 -1.997 -3.895
231 1HB TRP 27 HB2 TRP 27 18.249 0.180 -3.723
232 2HB TRP 27 HB1 TRP 27 17.561 -0.210 -2.151
233 HD1 TRP 27 HD1 TRP 27 20.932 -0.084 -3.989
234 HE1 TRP 27 HE1 TRP 27 22.813 0.094 -2.237
235 HE3 TRP 27 HE3 TRP 27 18.200 -0.610 0.295
236 HZ2 TRP 27 HZ2 TRP 27 23.119 0.026 0.608
237 HZ3 TRP 27 HZ3 TRP 27 19.311 -0.547 2.508
238 HH2 TRP 27 HH2 TRP 27 21.764 -0.230 2.671
239 H ALA 28 HN ALA 28 18.843 -1.177 -5.654
240 HA ALA 28 HA ALA 28 21.098 -3.154 -5.794
241 1HB ALA 28 HB1 ALA 28 19.342 -3.588 -7.407
242 2HB ALA 28 HB2 ALA 28 20.708 -2.898 -8.282
243 3HB ALA 28 HB3 ALA 28 19.310 -1.894 -7.897
Start of MODEL 6
1 1H SER 1 HT1 SER 1 -24.854 2.469 -3.283
2 2H SER 1 HT2 SER 1 -24.290 4.046 -2.997
3 3H SER 1 HT3 SER 1 -23.558 2.723 -2.219
4 HA SER 1 HA SER 1 -22.969 1.874 -4.531
5 1HB SER 1 HB2 SER 1 -22.893 3.924 -6.124
6 2HB SER 1 HB1 SER 1 -24.459 3.172 -5.837
7 HG SER 1 HG SER 1 -24.650 5.394 -5.574
8 H GLY 2 HN GLY 2 -22.412 5.250 -3.402
9 1HA GLY 2 HA2 GLY 2 -19.510 4.910 -3.682
10 2HA GLY 2 HA1 GLY 2 -20.336 6.366 -3.125
11 H ASN 3 HN ASN 3 -19.455 3.067 -2.100
12 HA ASN 3 HA ASN 3 -18.787 4.056 0.595
13 1HB ASN 3 HB2 ASN 3 -21.392 3.224 0.019
14 2HB ASN 3 HB1 ASN 3 -20.659 1.815 0.782
15 1HD2 ASN 3 1HD2 ASN 3 -20.327 1.898 3.051
16 2HD2 ASN 3 2HD2 ASN 3 -20.633 3.275 3.997
17 H TYR 4 HN TYR 4 -18.061 2.093 1.984
18 HA TYR 4 HA TYR 4 -16.589 0.269 2.250
19 1HB TYR 4 HB2 TYR 4 -18.742 -0.709 1.250
20 2HB TYR 4 HB1 TYR 4 -17.892 -0.734 -0.293
21 HD1 TYR 4 HD1 TYR 4 -16.999 -1.573 3.266
22 HD2 TYR 4 HD2 TYR 4 -17.057 -2.830 -0.842
23 HE1 TYR 4 HE1 TYR 4 -15.894 -3.699 3.900
24 HE2 TYR 4 HE2 TYR 4 -15.952 -4.956 -0.207
25 HH TYR 4 HH TYR 4 -14.287 -5.500 2.239
26 H VAL 5 HN VAL 5 -15.653 2.568 0.609
27 HA VAL 5 HA VAL 5 -13.708 1.125 -1.165
28 HB VAL 5 HB VAL 5 -13.634 3.252 -2.460
29 1HG1 VAL 5 1HG1 VAL 5 -15.853 1.434 -2.227
30 2HG1 VAL 5 2HG1 VAL 5 -15.239 2.248 -3.666
31 3HG1 VAL 5 3HG1 VAL 5 -16.454 3.035 -2.658
32 1HG2 VAL 5 1HG2 VAL 5 -15.389 4.972 -1.982
33 2HG2 VAL 5 2HG2 VAL 5 -14.186 4.847 -0.700
34 3HG2 VAL 5 3HG2 VAL 5 -15.778 4.115 -0.491
35 H LEU 6 HN LEU 6 -14.092 3.870 1.118
36 HA LEU 6 HA LEU 6 -11.363 4.675 1.234
37 1HB LEU 6 HB2 LEU 6 -12.040 5.570 3.479
38 2HB LEU 6 HB1 LEU 6 -13.196 5.968 2.213
39 HG LEU 6 HG LEU 6 -13.987 3.451 3.271
40 1HD1 LEU 6 1HD1 LEU 6 -14.279 3.940 5.639
41 2HD1 LEU 6 2HD1 LEU 6 -13.528 5.523 5.437
42 3HD1 LEU 6 3HD1 LEU 6 -12.566 4.058 5.239
43 1HD2 LEU 6 1HD2 LEU 6 -16.032 4.536 3.536
44 2HD2 LEU 6 2HD2 LEU 6 -15.245 5.586 2.358
45 3HD2 LEU 6 3HD2 LEU 6 -15.280 6.042 4.061
46 H ASP 7 HN ASP 7 -13.046 1.960 2.733
47 HA ASP 7 HA ASP 7 -10.817 1.237 4.494
48 1HB ASP 7 HB2 ASP 7 -13.473 0.753 4.494
49 2HB ASP 7 HB1 ASP 7 -12.939 -0.697 3.647
50 H LEU 8 HN LEU 8 -12.285 -0.097 1.510
51 HA LEU 8 HA LEU 8 -10.392 -2.153 0.987
52 1HB LEU 8 HB2 LEU 8 -12.631 -0.924 -0.234
53 2HB LEU 8 HB1 LEU 8 -11.337 -0.889 -1.433
54 HG LEU 8 HG LEU 8 -11.597 -3.418 0.087
55 1HD1 LEU 8 1HD1 LEU 8 -13.980 -2.741 -0.338
56 2HD1 LEU 8 2HD1 LEU 8 -13.509 -4.211 -1.193
57 3HD1 LEU 8 3HD1 LEU 8 -13.611 -2.679 -2.061
58 1HD2 LEU 8 1HD2 LEU 8 -9.992 -2.969 -1.806
59 2HD2 LEU 8 2HD2 LEU 8 -11.382 -2.841 -2.885
60 3HD2 LEU 8 3HD2 LEU 8 -11.035 -4.367 -2.071
61 H ILE 9 HN ILE 9 -10.224 1.334 0.355
62 HA ILE 9 HA ILE 9 -8.129 1.508 -1.514
63 HB ILE 9 HB ILE 9 -9.046 3.106 0.861
64 1HG1 ILE 9 2HG1 ILE 9 -10.224 3.166 -1.345
65 2HG1 ILE 9 1HG1 ILE 9 -9.600 4.738 -0.857
66 1HG2 ILE 9 1HG2 ILE 9 -7.373 4.894 0.159
67 2HG2 ILE 9 2HG2 ILE 9 -6.530 3.632 -0.741
68 3HG2 ILE 9 3HG2 ILE 9 -6.689 3.510 1.012
69 1HD1 ILE 9 1HD1 ILE 9 -9.024 4.473 -3.170
70 2HD1 ILE 9 2HD1 ILE 9 -8.424 2.838 -2.900
71 3HD1 ILE 9 3HD1 ILE 9 -7.536 4.220 -2.261
72 H TYR 10 HN TYR 10 -8.003 0.619 1.889
73 HA TYR 10 HA TYR 10 -5.219 0.817 2.410
74 1HB TYR 10 HB2 TYR 10 -5.894 -0.168 4.357
75 2HB TYR 10 HB1 TYR 10 -7.515 -0.094 3.687
76 HD1 TYR 10 HD1 TYR 10 -8.692 -2.096 3.065
77 HD2 TYR 10 HD2 TYR 10 -4.512 -2.267 4.045
78 HE1 TYR 10 HE1 TYR 10 -8.799 -4.568 3.088
79 HE2 TYR 10 HE2 TYR 10 -4.621 -4.741 4.066
80 HH TYR 10 HH TYR 10 -7.022 -6.474 4.477
81 H SER 11 HN SER 11 -7.082 -1.832 0.886
82 HA SER 11 HA SER 11 -4.810 -3.578 0.445
83 1HB SER 11 HB2 SER 11 -7.394 -4.005 0.472
84 2HB SER 11 HB1 SER 11 -7.330 -3.505 -1.216
85 HG SER 11 HG SER 11 -7.031 -5.837 -0.684
86 H LEU 12 HN LEU 12 -6.192 -0.843 -1.258
87 HA LEU 12 HA LEU 12 -4.780 -1.324 -3.778
88 1HB LEU 12 HB2 LEU 12 -6.795 0.448 -2.646
89 2HB LEU 12 HB1 LEU 12 -5.608 1.366 -3.571
90 HG LEU 12 HG LEU 12 -7.164 -1.038 -4.565
91 1HD1 LEU 12 1HD1 LEU 12 -8.295 0.560 -6.014
92 2HD1 LEU 12 2HD1 LEU 12 -7.293 1.875 -5.400
93 3HD1 LEU 12 3HD1 LEU 12 -8.462 1.089 -4.340
94 1HD2 LEU 12 1HD2 LEU 12 -6.121 -0.139 -6.793
95 2HD2 LEU 12 2HD2 LEU 12 -5.123 -1.131 -5.732
96 3HD2 LEU 12 3HD2 LEU 12 -4.935 0.622 -5.734
97 H HIS 13 HN HIS 13 -3.987 0.014 -0.715
98 HA HIS 13 HA HIS 13 -1.769 1.675 -1.805
99 1HB HIS 13 HB2 HIS 13 -3.538 2.264 0.074
100 2HB HIS 13 HB1 HIS 13 -2.444 1.341 1.104
101 HD1 HIS 13 HD1 HIS 13 -2.750 4.560 -0.734
102 HD2 HIS 13 HD2 HIS 13 0.208 2.472 1.331
103 HE1 HIS 13 HE1 HIS 13 -0.845 6.191 -0.366
104 H LYS 14 HN LYS 14 -2.395 -1.254 0.099
105 HA LYS 14 HA LYS 14 0.224 -1.698 1.123
106 1HB LYS 14 HB2 LYS 14 -0.562 -3.999 1.399
107 2HB LYS 14 HB1 LYS 14 -1.882 -2.888 1.760
108 1HG LYS 14 HG2 LYS 14 -3.062 -4.199 0.319
109 2HG LYS 14 HG1 LYS 14 -2.242 -3.253 -0.921
110 1HD LYS 14 HD2 LYS 14 -0.971 -5.007 -1.581
111 2HD LYS 14 HD1 LYS 14 -0.628 -5.491 0.080
112 1HE LYS 14 HE2 LYS 14 -2.759 -6.646 0.254
113 2HE LYS 14 HE1 LYS 14 -3.269 -6.026 -1.328
114 1HZ LYS 14 HZ1 LYS 14 -1.535 -7.202 -2.402
115 2HZ LYS 14 HZ2 LYS 14 -2.279 -8.318 -1.360
116 3HZ LYS 14 HZ3 LYS 14 -0.791 -7.617 -0.933
117 H GLN 15 HN GLN 15 -1.110 -2.213 -2.097
118 HA GLN 15 HA GLN 15 0.959 -3.953 -3.097
119 1HB GLN 15 HB2 GLN 15 0.049 -3.280 -5.295
120 2HB GLN 15 HB1 GLN 15 -1.255 -3.615 -4.158
121 1HG GLN 15 HG2 GLN 15 -1.295 -1.112 -3.661
122 2HG GLN 15 HG1 GLN 15 -0.226 -0.909 -5.048
123 1HE2 GLN 15 1HE2 GLN 15 -1.658 0.026 -6.574
124 2HE2 GLN 15 2HE2 GLN 15 -3.097 -0.712 -7.089
125 H ILE 16 HN ILE 16 0.646 -0.433 -2.892
126 HA ILE 16 HA ILE 16 3.089 0.142 -4.376
127 HB ILE 16 HB ILE 16 1.319 1.735 -2.487
128 1HG1 ILE 16 2HG1 ILE 16 1.387 2.606 -5.244
129 2HG1 ILE 16 1HG1 ILE 16 0.997 0.887 -5.171
130 1HG2 ILE 16 1HG2 ILE 16 3.237 3.022 -2.378
131 2HG2 ILE 16 2HG2 ILE 16 2.559 3.651 -3.880
132 3HG2 ILE 16 3HG2 ILE 16 3.842 2.442 -3.930
133 1HD1 ILE 16 1HD1 ILE 16 -0.436 3.158 -3.774
134 2HD1 ILE 16 2HD1 ILE 16 -0.721 1.459 -3.396
135 3HD1 ILE 16 3HD1 ILE 16 -1.083 2.077 -5.008
136 H ASN 17 HN ASN 17 2.185 -0.335 -1.006
137 HA ASN 17 HA ASN 17 4.667 0.503 0.209
138 1HB ASN 17 HB2 ASN 17 2.172 -0.152 1.051
139 2HB ASN 17 HB1 ASN 17 3.010 -1.657 1.421
140 1HD2 ASN 17 1HD2 ASN 17 2.834 1.788 2.232
141 2HD2 ASN 17 2HD2 ASN 17 3.837 1.694 3.598
142 H ARG 18 HN ARG 18 3.401 -2.670 -0.851
143 HA ARG 18 HA ARG 18 5.495 -4.360 0.020
144 1HB ARG 18 HB2 ARG 18 3.691 -4.366 -2.418
145 2HB ARG 18 HB1 ARG 18 4.753 -5.718 -2.030
146 1HG ARG 18 HG2 ARG 18 3.244 -4.870 0.306
147 2HG ARG 18 HG1 ARG 18 2.169 -5.282 -1.029
148 1HD ARG 18 HD2 ARG 18 2.654 -7.502 -0.869
149 2HD ARG 18 HD1 ARG 18 4.391 -7.191 -0.691
150 HE ARG 18 HE ARG 18 3.167 -6.289 1.692
151 1HH1 ARG 18 1HH1 ARG 18 5.360 -8.359 1.519
152 2HH1 ARG 18 2HH1 ARG 18 4.587 -9.749 2.205
153 1HH2 ARG 18 1HH2 ARG 18 1.381 -8.443 1.887
154 2HH2 ARG 18 2HH2 ARG 18 2.323 -9.796 2.415
155 H GLY 19 HN GLY 19 5.194 -2.722 -3.168
156 1HA GLY 19 HA2 GLY 19 7.802 -3.493 -4.105
157 2HA GLY 19 HA1 GLY 19 6.836 -2.165 -4.757
158 H LEU 20 HN LEU 20 6.588 -0.680 -2.317
159 HA LEU 20 HA LEU 20 9.025 0.856 -2.349
160 1HB LEU 20 HB2 LEU 20 6.874 1.848 -1.859
161 2HB LEU 20 HB1 LEU 20 6.601 0.722 -0.534
162 HG LEU 20 HG LEU 20 8.510 1.703 0.692
163 1HD1 LEU 20 1HD1 LEU 20 8.620 3.534 -1.722
164 2HD1 LEU 20 2HD1 LEU 20 9.895 2.468 -1.135
165 3HD1 LEU 20 3HD1 LEU 20 9.429 3.886 -0.195
166 1HD2 LEU 20 1HD2 LEU 20 6.255 2.606 1.067
167 2HD2 LEU 20 2HD2 LEU 20 6.466 3.726 -0.278
168 3HD2 LEU 20 3HD2 LEU 20 7.452 3.895 1.174
169 H LYS 21 HN LYS 21 7.826 -1.754 -0.326
170 HA LYS 21 HA LYS 21 9.636 -1.492 1.882
171 1HB LYS 21 HB2 LYS 21 7.446 -2.911 1.434
172 2HB LYS 21 HB1 LYS 21 8.601 -4.135 0.909
173 1HG LYS 21 HG2 LYS 21 8.268 -4.550 3.229
174 2HG LYS 21 HG1 LYS 21 9.820 -3.716 3.127
175 1HD LYS 21 HD2 LYS 21 8.687 -1.571 3.621
176 2HD LYS 21 HD1 LYS 21 7.151 -2.427 3.766
177 1HE LYS 21 HE2 LYS 21 7.880 -3.616 5.713
178 2HE LYS 21 HE1 LYS 21 9.572 -3.148 5.450
179 1HZ LYS 21 HZ1 LYS 21 8.364 -1.758 7.125
180 2HZ LYS 21 HZ2 LYS 21 7.377 -1.186 5.866
181 3HZ LYS 21 HZ3 LYS 21 9.050 -0.879 5.848
182 H LYS 22 HN LYS 22 9.755 -3.823 -0.831
183 HA LYS 22 HA LYS 22 12.341 -4.856 -0.273
184 1HB LYS 22 HB2 LYS 22 12.244 -5.668 -2.594
185 2HB LYS 22 HB1 LYS 22 10.671 -5.842 -1.819
186 1HG LYS 22 HG2 LYS 22 9.765 -4.653 -3.498
187 2HG LYS 22 HG1 LYS 22 10.696 -3.257 -2.962
188 1HD LYS 22 HD2 LYS 22 12.178 -3.443 -4.665
189 2HD LYS 22 HD1 LYS 22 12.287 -5.194 -4.492
190 1HE LYS 22 HE2 LYS 22 9.664 -4.571 -5.476
191 2HE LYS 22 HE1 LYS 22 10.856 -3.732 -6.486
192 1HZ LYS 22 HZ1 LYS 22 10.494 -6.049 -7.199
193 2HZ LYS 22 HZ2 LYS 22 11.029 -6.592 -5.681
194 3HZ LYS 22 HZ3 LYS 22 12.096 -5.770 -6.717
195 H ILE 23 HN ILE 23 11.428 -1.847 -1.852
196 HA ILE 23 HA ILE 23 14.012 -1.305 -3.064
197 HB ILE 23 HB ILE 23 11.597 0.352 -2.283
198 1HG1 ILE 23 2HG1 ILE 23 12.737 -0.251 -5.024
199 2HG1 ILE 23 1HG1 ILE 23 11.567 -1.310 -4.236
200 1HG2 ILE 23 1HG2 ILE 23 13.334 1.955 -2.153
201 2HG2 ILE 23 2HG2 ILE 23 12.747 2.105 -3.809
202 3HG2 ILE 23 3HG2 ILE 23 14.233 1.216 -3.478
203 1HD1 ILE 23 1HD1 ILE 23 10.253 0.986 -3.903
204 2HD1 ILE 23 2HD1 ILE 23 10.114 0.061 -5.397
205 3HD1 ILE 23 3HD1 ILE 23 11.196 1.451 -5.318
206 H VAL 24 HN VAL 24 12.413 -0.234 -0.063
207 HA VAL 24 HA VAL 24 14.708 1.213 0.967
208 HB VAL 24 HB VAL 24 12.203 0.053 2.240
209 1HG1 VAL 24 1HG1 VAL 24 12.774 1.887 3.997
210 2HG1 VAL 24 2HG1 VAL 24 14.413 1.780 3.351
211 3HG1 VAL 24 3HG1 VAL 24 13.654 0.360 4.071
212 1HG2 VAL 24 1HG2 VAL 24 11.972 1.856 0.464
213 2HG2 VAL 24 2HG2 VAL 24 12.874 2.926 1.538
214 3HG2 VAL 24 3HG2 VAL 24 11.311 2.283 2.043
215 H LEU 25 HN LEU 25 13.497 -2.081 1.238
216 HA LEU 25 HA LEU 25 15.142 -3.037 3.371
217 1HB LEU 25 HB2 LEU 25 13.203 -4.233 2.528
218 2HB LEU 25 HB1 LEU 25 13.912 -4.338 0.919
219 HG LEU 25 HG LEU 25 15.730 -5.749 1.809
220 1HD1 LEU 25 1HD1 LEU 25 15.954 -5.024 4.065
221 2HD1 LEU 25 2HD1 LEU 25 15.326 -6.667 4.178
222 3HD1 LEU 25 3HD1 LEU 25 14.244 -5.294 4.403
223 1HD2 LEU 25 1HD2 LEU 25 12.860 -6.551 2.254
224 2HD2 LEU 25 2HD2 LEU 25 14.166 -7.686 2.595
225 3HD2 LEU 25 3HD2 LEU 25 13.959 -7.044 0.966
226 H GLY 26 HN GLY 26 15.727 -2.739 -0.131
227 1HA GLY 26 HA2 GLY 26 18.319 -4.085 0.001
228 2HA GLY 26 HA1 GLY 26 17.656 -3.250 -1.402
229 H TRP 27 HN TRP 27 17.257 -0.685 -0.478
230 HA TRP 27 HA TRP 27 19.944 0.179 0.551
231 1HB TRP 27 HB2 TRP 27 18.351 1.209 -1.819
232 2HB TRP 27 HB1 TRP 27 19.786 2.009 -1.180
233 HD1 TRP 27 HD1 TRP 27 22.131 0.790 -1.491
234 HE1 TRP 27 HE1 TRP 27 22.906 -1.062 -3.110
235 HE3 TRP 27 HE3 TRP 27 17.599 -0.935 -3.091
236 HZ2 TRP 27 HZ2 TRP 27 21.752 -3.017 -4.853
237 HZ3 TRP 27 HZ3 TRP 27 17.464 -2.790 -4.727
238 HH2 TRP 27 HH2 TRP 27 19.534 -3.833 -5.609
239 H ALA 28 HN ALA 28 19.830 1.806 2.082
240 HA ALA 28 HA ALA 28 17.195 3.193 2.466
241 1HB ALA 28 HB1 ALA 28 17.779 3.017 4.934
242 2HB ALA 28 HB2 ALA 28 19.105 1.951 4.467
243 3HB ALA 28 HB3 ALA 28 17.437 1.476 4.146
Start of MODEL 7
1 1H SER 1 HT1 SER 1 -15.742 1.545 7.615
2 2H SER 1 HT2 SER 1 -14.900 1.173 9.043
3 3H SER 1 HT3 SER 1 -14.387 2.462 8.062
4 HA SER 1 HA SER 1 -17.033 2.392 9.427
5 1HB SER 1 HB2 SER 1 -14.757 2.352 10.773
6 2HB SER 1 HB1 SER 1 -14.664 4.038 10.275
7 HG SER 1 HG SER 1 -15.766 3.958 12.206
8 H GLY 2 HN GLY 2 -18.295 4.152 8.836
9 1HA GLY 2 HA2 GLY 2 -18.821 6.291 7.960
10 2HA GLY 2 HA1 GLY 2 -17.103 6.563 7.668
11 H ASN 3 HN ASN 3 -16.139 5.436 5.784
12 HA ASN 3 HA ASN 3 -18.152 5.054 3.587
13 1HB ASN 3 HB2 ASN 3 -15.739 6.628 3.922
14 2HB ASN 3 HB1 ASN 3 -15.566 5.537 2.548
15 1HD2 ASN 3 1HD2 ASN 3 -17.099 5.781 0.746
16 2HD2 ASN 3 2HD2 ASN 3 -18.039 7.184 0.586
17 H TYR 4 HN TYR 4 -17.051 3.641 1.743
18 HA TYR 4 HA TYR 4 -15.918 1.204 3.067
19 1HB TYR 4 HB2 TYR 4 -17.156 -0.053 1.504
20 2HB TYR 4 HB1 TYR 4 -18.224 1.303 1.849
21 HD1 TYR 4 HD1 TYR 4 -15.985 -0.238 -0.632
22 HD2 TYR 4 HD2 TYR 4 -18.577 3.088 0.198
23 HE1 TYR 4 HE1 TYR 4 -15.979 0.369 -3.036
24 HE2 TYR 4 HE2 TYR 4 -18.568 3.692 -2.206
25 HH TYR 4 HH TYR 4 -18.052 2.031 -4.518
26 H VAL 5 HN VAL 5 -15.477 3.451 0.347
27 HA VAL 5 HA VAL 5 -13.401 1.983 -0.997
28 HB VAL 5 HB VAL 5 -14.786 3.855 -1.927
29 1HG1 VAL 5 1HG1 VAL 5 -12.964 5.637 -0.283
30 2HG1 VAL 5 2HG1 VAL 5 -14.654 5.315 0.105
31 3HG1 VAL 5 3HG1 VAL 5 -14.237 6.162 -1.385
32 1HG2 VAL 5 1HG2 VAL 5 -11.988 4.842 -2.172
33 2HG2 VAL 5 2HG2 VAL 5 -13.149 4.425 -3.432
34 3HG2 VAL 5 3HG2 VAL 5 -12.268 3.151 -2.589
35 H LEU 6 HN LEU 6 -13.296 4.390 1.647
36 HA LEU 6 HA LEU 6 -10.464 4.788 1.724
37 1HB LEU 6 HB2 LEU 6 -12.826 5.146 3.472
38 2HB LEU 6 HB1 LEU 6 -11.306 4.956 4.344
39 HG LEU 6 HG LEU 6 -11.743 7.330 3.867
40 1HD1 LEU 6 1HD1 LEU 6 -9.582 7.861 3.127
41 2HD1 LEU 6 2HD1 LEU 6 -9.538 6.517 1.987
42 3HD1 LEU 6 3HD1 LEU 6 -9.387 6.212 3.717
43 1HD2 LEU 6 1HD2 LEU 6 -11.589 6.537 0.943
44 2HD2 LEU 6 2HD2 LEU 6 -11.857 8.158 1.583
45 3HD2 LEU 6 3HD2 LEU 6 -13.090 6.914 1.791
46 H ASP 7 HN ASP 7 -12.535 2.353 3.316
47 HA ASP 7 HA ASP 7 -10.414 1.005 4.735
48 1HB ASP 7 HB2 ASP 7 -13.235 0.849 4.376
49 2HB ASP 7 HB1 ASP 7 -12.587 -0.736 3.960
50 H LEU 8 HN LEU 8 -11.780 0.700 1.477
51 HA LEU 8 HA LEU 8 -10.386 -1.751 0.769
52 1HB LEU 8 HB2 LEU 8 -12.311 0.083 -0.309
53 2HB LEU 8 HB1 LEU 8 -11.047 -0.168 -1.512
54 HG LEU 8 HG LEU 8 -11.474 -2.718 -0.494
55 1HD1 LEU 8 1HD1 LEU 8 -13.505 -1.875 0.662
56 2HD1 LEU 8 2HD1 LEU 8 -13.904 -3.050 -0.589
57 3HD1 LEU 8 3HD1 LEU 8 -14.145 -1.330 -0.889
58 1HD2 LEU 8 1HD2 LEU 8 -11.158 -1.889 -2.885
59 2HD2 LEU 8 2HD2 LEU 8 -12.886 -1.541 -2.905
60 3HD2 LEU 8 3HD2 LEU 8 -12.322 -3.198 -2.690
61 H ILE 9 HN ILE 9 -9.591 1.698 0.573
62 HA ILE 9 HA ILE 9 -7.479 1.712 -1.294
63 HB ILE 9 HB ILE 9 -7.976 3.157 1.319
64 1HG1 ILE 9 2HG1 ILE 9 -9.417 3.461 -0.802
65 2HG1 ILE 9 1HG1 ILE 9 -8.778 4.920 -0.049
66 1HG2 ILE 9 1HG2 ILE 9 -5.615 3.329 1.120
67 2HG2 ILE 9 2HG2 ILE 9 -6.238 4.820 0.414
68 3HG2 ILE 9 3HG2 ILE 9 -5.695 3.509 -0.633
69 1HD1 ILE 9 1HD1 ILE 9 -7.317 3.507 -2.286
70 2HD1 ILE 9 2HD1 ILE 9 -7.077 5.152 -1.697
71 3HD1 ILE 9 3HD1 ILE 9 -8.535 4.744 -2.600
72 H TYR 10 HN TYR 10 -7.579 0.406 1.960
73 HA TYR 10 HA TYR 10 -4.831 0.121 2.576
74 1HB TYR 10 HB2 TYR 10 -5.753 -0.964 4.354
75 2HB TYR 10 HB1 TYR 10 -7.310 -0.616 3.620
76 HD1 TYR 10 HD1 TYR 10 -4.752 -3.183 4.223
77 HD2 TYR 10 HD2 TYR 10 -8.523 -2.357 2.341
78 HE1 TYR 10 HE1 TYR 10 -5.150 -5.614 3.948
79 HE2 TYR 10 HE2 TYR 10 -8.921 -4.784 2.067
80 HH TYR 10 HH TYR 10 -7.759 -7.024 3.608
81 H SER 11 HN SER 11 -6.938 -1.960 0.578
82 HA SER 11 HA SER 11 -4.924 -3.990 0.060
83 1HB SER 11 HB2 SER 11 -7.469 -4.158 -0.086
84 2HB SER 11 HB1 SER 11 -7.366 -3.239 -1.584
85 HG SER 11 HG SER 11 -6.058 -4.892 -2.430
86 H LEU 12 HN LEU 12 -6.096 -1.104 -1.673
87 HA LEU 12 HA LEU 12 -4.501 -1.390 -4.038
88 1HB LEU 12 HB2 LEU 12 -6.411 0.358 -2.950
89 2HB LEU 12 HB1 LEU 12 -4.976 1.356 -3.164
90 HG LEU 12 HG LEU 12 -6.390 1.386 -5.183
91 1HD1 LEU 12 1HD1 LEU 12 -3.814 1.419 -5.244
92 2HD1 LEU 12 2HD1 LEU 12 -4.643 1.043 -6.754
93 3HD1 LEU 12 3HD1 LEU 12 -3.926 -0.252 -5.796
94 1HD2 LEU 12 1HD2 LEU 12 -6.953 -0.562 -6.395
95 2HD2 LEU 12 2HD2 LEU 12 -7.192 -1.042 -4.715
96 3HD2 LEU 12 3HD2 LEU 12 -5.732 -1.534 -5.573
97 H HIS 13 HN HIS 13 -3.929 0.264 -0.947
98 HA HIS 13 HA HIS 13 -1.347 1.356 -1.618
99 1HB HIS 13 HB2 HIS 13 -3.112 1.748 0.356
100 2HB HIS 13 HB1 HIS 13 -2.075 0.583 1.181
101 HD1 HIS 13 HD1 HIS 13 0.420 1.267 1.587
102 HD2 HIS 13 HD2 HIS 13 -1.906 4.273 -0.125
103 HE1 HIS 13 HE1 HIS 13 1.756 3.411 1.786
104 H LYS 14 HN LYS 14 -2.394 -1.739 -0.196
105 HA LYS 14 HA LYS 14 0.150 -2.728 0.623
106 1HB LYS 14 HB2 LYS 14 -2.041 -3.732 1.180
107 2HB LYS 14 HB1 LYS 14 -2.275 -4.164 -0.513
108 1HG LYS 14 HG2 LYS 14 -1.444 -6.070 0.891
109 2HG LYS 14 HG1 LYS 14 -0.373 -5.673 -0.452
110 1HD LYS 14 HD2 LYS 14 1.203 -4.622 0.954
111 2HD LYS 14 HD1 LYS 14 0.044 -4.448 2.272
112 1HE LYS 14 HE2 LYS 14 0.003 -6.943 2.518
113 2HE LYS 14 HE1 LYS 14 1.276 -7.047 1.285
114 1HZ LYS 14 HZ1 LYS 14 1.447 -5.452 3.791
115 2HZ LYS 14 HZ2 LYS 14 2.667 -5.605 2.617
116 3HZ LYS 14 HZ3 LYS 14 2.200 -6.950 3.543
117 H GLN 15 HN GLN 15 -1.376 -2.541 -2.541
118 HA GLN 15 HA GLN 15 0.518 -4.260 -3.928
119 1HB GLN 15 HB2 GLN 15 -1.498 -2.159 -4.768
120 2HB GLN 15 HB1 GLN 15 -0.572 -3.109 -5.929
121 1HG GLN 15 HG2 GLN 15 -1.476 -5.191 -4.953
122 2HG GLN 15 HG1 GLN 15 -2.410 -4.240 -3.797
123 1HE2 GLN 15 1HE2 GLN 15 -1.990 -4.707 -7.345
124 2HE2 GLN 15 2HE2 GLN 15 -3.588 -4.289 -7.736
125 H ILE 16 HN ILE 16 0.449 -0.919 -2.960
126 HA ILE 16 HA ILE 16 2.709 -0.157 -4.726
127 HB ILE 16 HB ILE 16 0.956 1.308 -2.725
128 1HG1 ILE 16 2HG1 ILE 16 1.024 1.917 -5.649
129 2HG1 ILE 16 1HG1 ILE 16 0.209 0.436 -5.147
130 1HG2 ILE 16 1HG2 ILE 16 3.271 2.239 -4.417
131 2HG2 ILE 16 2HG2 ILE 16 2.957 2.552 -2.711
132 3HG2 ILE 16 3HG2 ILE 16 1.986 3.353 -3.947
133 1HD1 ILE 16 1HD1 ILE 16 -0.828 2.121 -3.323
134 2HD1 ILE 16 2HD1 ILE 16 -1.563 1.877 -4.908
135 3HD1 ILE 16 3HD1 ILE 16 -0.525 3.274 -4.624
136 H ASN 17 HN ASN 17 1.925 -0.681 -1.323
137 HA ASN 17 HA ASN 17 4.510 0.181 -0.294
138 1HB ASN 17 HB2 ASN 17 1.945 -0.443 0.669
139 2HB ASN 17 HB1 ASN 17 3.007 -1.647 1.395
140 1HD2 ASN 17 1HD2 ASN 17 3.101 1.918 0.728
141 2HD2 ASN 17 2HD2 ASN 17 3.785 2.316 2.231
142 H ARG 18 HN ARG 18 3.071 -2.949 -1.228
143 HA ARG 18 HA ARG 18 4.970 -4.717 -0.102
144 1HB ARG 18 HB2 ARG 18 4.212 -6.273 -1.823
145 2HB ARG 18 HB1 ARG 18 2.839 -5.308 -1.290
146 1HG ARG 18 HG2 ARG 18 3.103 -3.833 -3.248
147 2HG ARG 18 HG1 ARG 18 4.497 -4.776 -3.776
148 1HD ARG 18 HD2 ARG 18 2.982 -6.812 -3.849
149 2HD ARG 18 HD1 ARG 18 1.616 -5.710 -3.591
150 HE ARG 18 HE ARG 18 2.527 -4.458 -5.656
151 1HH1 ARG 18 1HH2 ARG 18 4.750 -6.691 -5.717
152 2HH1 ARG 18 2HH2 ARG 18 4.209 -7.594 -7.093
153 1HH2 ARG 18 1HH1 ARG 18 1.070 -6.103 -7.163
154 2HH2 ARG 18 2HH1 ARG 18 2.118 -7.261 -7.915
155 H GLY 19 HN GLY 19 5.203 -2.786 -3.081
156 1HA GLY 19 HA2 GLY 19 7.871 -3.909 -3.688
157 2HA GLY 19 HA1 GLY 19 6.993 -2.733 -4.671
158 H LEU 20 HN LEU 20 6.372 -0.961 -2.438
159 HA LEU 20 HA LEU 20 8.671 0.743 -2.467
160 1HB LEU 20 HB2 LEU 20 6.384 1.538 -2.175
161 2HB LEU 20 HB1 LEU 20 6.217 0.601 -0.692
162 HG LEU 20 HG LEU 20 7.969 1.947 0.381
163 1HD1 LEU 20 1HD1 LEU 20 8.522 4.131 -1.016
164 2HD1 LEU 20 2HD1 LEU 20 8.175 3.079 -2.388
165 3HD1 LEU 20 3HD1 LEU 20 9.459 2.657 -1.255
166 1HD2 LEU 20 1HD2 LEU 20 6.718 4.033 0.561
167 2HD2 LEU 20 2HD2 LEU 20 5.582 2.690 0.444
168 3HD2 LEU 20 3HD2 LEU 20 5.894 3.706 -0.963
169 H LYS 21 HN LYS 21 7.408 -1.461 0.045
170 HA LYS 21 HA LYS 21 9.326 -0.830 2.069
171 1HB LYS 21 HB2 LYS 21 8.513 -2.848 3.117
172 2HB LYS 21 HB1 LYS 21 7.150 -2.111 2.280
173 1HG LYS 21 HG2 LYS 21 7.663 -3.633 0.317
174 2HG LYS 21 HG1 LYS 21 8.814 -4.469 1.359
175 1HD LYS 21 HD2 LYS 21 5.996 -4.037 2.312
176 2HD LYS 21 HD1 LYS 21 6.344 -5.354 1.191
177 1HE LYS 21 HE2 LYS 21 8.351 -5.369 3.255
178 2HE LYS 21 HE1 LYS 21 6.746 -5.343 4.012
179 1HZ LYS 21 HZ1 LYS 21 6.050 -7.169 2.658
180 2HZ LYS 21 HZ2 LYS 21 7.521 -7.609 3.387
181 3HZ LYS 21 HZ3 LYS 21 7.488 -7.133 1.756
182 H LYS 22 HN LYS 22 9.502 -2.954 -0.728
183 HA LYS 22 HA LYS 22 11.937 -4.337 0.064
184 1HB LYS 22 HB2 LYS 22 10.458 -5.386 -1.498
185 2HB LYS 22 HB1 LYS 22 10.373 -3.938 -2.498
186 1HG LYS 22 HG2 LYS 22 13.121 -4.866 -2.193
187 2HG LYS 22 HG1 LYS 22 12.085 -6.116 -2.881
188 1HD LYS 22 HD2 LYS 22 11.924 -5.020 -4.849
189 2HD LYS 22 HD1 LYS 22 11.519 -3.504 -4.044
190 1HE LYS 22 HE2 LYS 22 14.007 -3.275 -3.488
191 2HE LYS 22 HE1 LYS 22 14.282 -4.611 -4.625
192 1HZ LYS 22 HZ1 LYS 22 14.310 -2.259 -5.576
193 2HZ LYS 22 HZ2 LYS 22 12.624 -2.266 -5.355
194 3HZ LYS 22 HZ3 LYS 22 13.354 -3.407 -6.383
195 H ILE 23 HN ILE 23 11.173 -1.454 -1.850
196 HA ILE 23 HA ILE 23 13.799 -0.951 -2.895
197 HB ILE 23 HB ILE 23 11.426 0.826 -2.236
198 1HG1 ILE 23 2HG1 ILE 23 12.431 -0.132 -4.928
199 2HG1 ILE 23 1HG1 ILE 23 11.236 -1.027 -3.992
200 1HG2 ILE 23 1HG2 ILE 23 12.478 2.489 -3.744
201 2HG2 ILE 23 2HG2 ILE 23 13.906 1.461 -3.869
202 3HG2 ILE 23 3HG2 ILE 23 13.474 2.188 -2.320
203 1HD1 ILE 23 1HD1 ILE 23 10.023 1.322 -3.885
204 2HD1 ILE 23 2HD1 ILE 23 9.849 0.295 -5.307
205 3HD1 ILE 23 3HD1 ILE 23 10.983 1.645 -5.329
206 H VAL 24 HN VAL 24 12.161 0.122 0.076
207 HA VAL 24 HA VAL 24 14.439 1.683 1.033
208 HB VAL 24 HB VAL 24 11.932 0.631 2.395
209 1HG1 VAL 24 1HG1 VAL 24 13.205 1.267 4.214
210 2HG1 VAL 24 2HG1 VAL 24 12.530 2.838 3.781
211 3HG1 VAL 24 3HG1 VAL 24 14.165 2.412 3.277
212 1HG2 VAL 24 1HG2 VAL 24 12.506 2.916 0.599
213 2HG2 VAL 24 2HG2 VAL 24 11.592 3.324 2.050
214 3HG2 VAL 24 3HG2 VAL 24 10.976 2.105 0.936
215 H LEU 25 HN LEU 25 13.150 -1.562 1.564
216 HA LEU 25 HA LEU 25 14.785 -2.331 3.789
217 1HB LEU 25 HB2 LEU 25 12.821 -3.575 3.185
218 2HB LEU 25 HB1 LEU 25 13.395 -3.806 1.535
219 HG LEU 25 HG LEU 25 15.239 -5.214 2.368
220 1HD1 LEU 25 1HD1 LEU 25 14.013 -4.500 5.033
221 2HD1 LEU 25 2HD1 LEU 25 15.702 -4.385 4.537
222 3HD1 LEU 25 3HD1 LEU 25 14.975 -5.964 4.834
223 1HD2 LEU 25 1HD2 LEU 25 12.982 -6.183 1.806
224 2HD2 LEU 25 2HD2 LEU 25 12.582 -6.110 3.521
225 3HD2 LEU 25 3HD2 LEU 25 13.899 -7.142 2.967
226 H GLY 26 HN GLY 26 15.281 -2.653 0.257
227 1HA GLY 26 HA2 GLY 26 17.995 -3.753 0.725
228 2HA GLY 26 HA1 GLY 26 17.180 -3.652 -0.835
229 H TRP 27 HN TRP 27 17.042 -1.526 -1.866
230 HA TRP 27 HA TRP 27 18.571 0.728 -0.773
231 1HB TRP 27 HB2 TRP 27 20.291 -0.924 -1.551
232 2HB TRP 27 HB1 TRP 27 19.611 -0.817 -3.173
233 HD1 TRP 27 HD1 TRP 27 20.414 1.106 -4.665
234 HE1 TRP 27 HE1 TRP 27 21.920 3.171 -4.323
235 HE3 TRP 27 HE3 TRP 27 20.997 0.938 0.404
236 HZ2 TRP 27 HZ2 TRP 27 23.202 4.566 -2.179
237 HZ3 TRP 27 HZ3 TRP 27 22.365 2.645 1.570
238 HH2 TRP 27 HH2 TRP 27 23.467 4.457 0.286
239 H ALA 28 HN ALA 28 17.459 -0.699 -3.885
240 HA ALA 28 HA ALA 28 15.816 1.728 -4.390
241 1HB ALA 28 HB1 ALA 28 16.913 1.979 -6.621
242 2HB ALA 28 HB2 ALA 28 18.048 0.704 -6.175
243 3HB ALA 28 HB3 ALA 28 18.041 2.227 -5.287
Start of MODEL 8
1 1H SER 1 HT1 SER 1 -16.821 3.178 7.207
2 2H SER 1 HT2 SER 1 -18.164 2.639 8.099
3 3H SER 1 HT3 SER 1 -16.604 2.532 8.761
4 HA SER 1 HA SER 1 -17.849 4.399 9.726
5 1HB SER 1 HB2 SER 1 -16.012 6.079 9.084
6 2HB SER 1 HB1 SER 1 -15.462 4.521 9.694
7 HG SER 1 HG SER 1 -14.433 4.376 7.869
8 H GLY 2 HN GLY 2 -16.800 5.458 6.461
9 1HA GLY 2 HA2 GLY 2 -19.521 6.629 6.051
10 2HA GLY 2 HA1 GLY 2 -18.073 7.589 5.736
11 H ASN 3 HN ASN 3 -16.846 7.158 3.860
12 HA ASN 3 HA ASN 3 -18.274 5.863 1.675
13 1HB ASN 3 HB2 ASN 3 -16.332 6.611 0.367
14 2HB ASN 3 HB1 ASN 3 -16.873 7.896 1.439
15 1HD2 ASN 3 1HD2 ASN 3 -14.181 7.745 0.378
16 2HD2 ASN 3 2HD2 ASN 3 -13.121 7.503 1.681
17 H TYR 4 HN TYR 4 -17.304 4.108 0.348
18 HA TYR 4 HA TYR 4 -16.134 2.000 2.092
19 1HB TYR 4 HB2 TYR 4 -17.034 0.487 0.469
20 2HB TYR 4 HB1 TYR 4 -18.242 1.752 0.665
21 HD1 TYR 4 HD1 TYR 4 -15.601 0.406 -1.549
22 HD2 TYR 4 HD2 TYR 4 -18.725 3.324 -1.123
23 HE1 TYR 4 HE1 TYR 4 -15.478 0.894 -3.976
24 HE2 TYR 4 HE2 TYR 4 -18.600 3.812 -3.550
25 HH TYR 4 HH TYR 4 -17.584 2.084 -5.721
26 H VAL 5 HN VAL 5 -15.256 4.006 -0.676
27 HA VAL 5 HA VAL 5 -13.129 2.439 -1.748
28 HB VAL 5 HB VAL 5 -14.203 4.504 -2.716
29 1HG1 VAL 5 1HG1 VAL 5 -14.051 5.798 -0.529
30 2HG1 VAL 5 2HG1 VAL 5 -13.558 6.685 -1.970
31 3HG1 VAL 5 3HG1 VAL 5 -12.338 6.026 -0.881
32 1HG2 VAL 5 1HG2 VAL 5 -12.012 5.471 -3.568
33 2HG2 VAL 5 2HG2 VAL 5 -12.178 3.725 -3.744
34 3HG2 VAL 5 3HG2 VAL 5 -11.188 4.390 -2.444
35 H LEU 6 HN LEU 6 -13.179 4.653 1.057
36 HA LEU 6 HA LEU 6 -10.349 4.766 1.522
37 1HB LEU 6 HB2 LEU 6 -12.581 5.884 2.603
38 2HB LEU 6 HB1 LEU 6 -12.219 4.679 3.837
39 HG LEU 6 HG LEU 6 -9.752 5.620 3.552
40 1HD1 LEU 6 1HD1 LEU 6 -9.664 7.949 2.982
41 2HD1 LEU 6 2HD1 LEU 6 -11.422 8.063 2.911
42 3HD1 LEU 6 3HD1 LEU 6 -10.548 7.152 1.681
43 1HD2 LEU 6 1HD2 LEU 6 -10.999 5.668 5.648
44 2HD2 LEU 6 2HD2 LEU 6 -11.986 7.010 5.065
45 3HD2 LEU 6 3HD2 LEU 6 -10.268 7.251 5.381
46 H ASP 7 HN ASP 7 -12.862 2.498 2.659
47 HA ASP 7 HA ASP 7 -11.133 0.860 4.282
48 1HB ASP 7 HB2 ASP 7 -13.868 0.993 3.402
49 2HB ASP 7 HB1 ASP 7 -13.284 -0.649 3.148
50 H LEU 8 HN LEU 8 -11.932 0.919 0.840
51 HA LEU 8 HA LEU 8 -10.688 -1.647 0.202
52 1HB LEU 8 HB2 LEU 8 -12.309 0.372 -1.022
53 2HB LEU 8 HB1 LEU 8 -10.903 0.106 -2.051
54 HG LEU 8 HG LEU 8 -11.614 -2.463 -1.288
55 1HD1 LEU 8 1HD1 LEU 8 -13.731 -1.528 -0.346
56 2HD1 LEU 8 2HD1 LEU 8 -14.018 -2.644 -1.680
57 3HD1 LEU 8 3HD1 LEU 8 -14.134 -0.904 -1.944
58 1HD2 LEU 8 1HD2 LEU 8 -10.942 -1.495 -3.554
59 2HD2 LEU 8 2HD2 LEU 8 -12.636 -1.050 -3.768
60 3HD2 LEU 8 3HD2 LEU 8 -12.184 -2.746 -3.602
61 H ILE 9 HN ILE 9 -9.631 1.739 0.282
62 HA ILE 9 HA ILE 9 -7.271 1.646 -1.259
63 HB ILE 9 HB ILE 9 -8.104 3.074 1.270
64 1HG1 ILE 9 2HG1 ILE 9 -9.056 3.555 -1.072
65 2HG1 ILE 9 1HG1 ILE 9 -8.432 4.933 -0.171
66 1HG2 ILE 9 1HG2 ILE 9 -6.066 4.588 0.737
67 2HG2 ILE 9 2HG2 ILE 9 -5.437 3.192 -0.138
68 3HG2 ILE 9 3HG2 ILE 9 -5.766 3.074 1.591
69 1HD1 ILE 9 1HD1 ILE 9 -7.731 4.566 -2.695
70 2HD1 ILE 9 2HD1 ILE 9 -6.576 3.435 -1.993
71 3HD1 ILE 9 3HD1 ILE 9 -6.545 5.134 -1.520
72 H TYR 10 HN TYR 10 -7.946 0.209 1.865
73 HA TYR 10 HA TYR 10 -5.333 -0.267 2.861
74 1HB TYR 10 HB2 TYR 10 -6.560 -1.392 4.419
75 2HB TYR 10 HB1 TYR 10 -7.970 -0.889 3.502
76 HD1 TYR 10 HD1 TYR 10 -9.058 -2.453 1.896
77 HD2 TYR 10 HD2 TYR 10 -5.745 -3.672 4.344
78 HE1 TYR 10 HE1 TYR 10 -9.580 -4.828 1.419
79 HE2 TYR 10 HE2 TYR 10 -6.265 -6.046 3.864
80 HH TYR 10 HH TYR 10 -7.582 -7.249 1.738
81 H SER 11 HN SER 11 -7.230 -2.046 0.430
82 HA SER 11 HA SER 11 -5.242 -4.156 0.046
83 1HB SER 11 HB2 SER 11 -7.755 -4.267 -0.349
84 2HB SER 11 HB1 SER 11 -7.508 -3.248 -1.764
85 HG SER 11 HG SER 11 -7.464 -5.434 -2.349
86 H LEU 12 HN LEU 12 -5.955 -1.004 -1.364
87 HA LEU 12 HA LEU 12 -4.195 -1.304 -3.672
88 1HB LEU 12 HB2 LEU 12 -6.025 0.649 -2.465
89 2HB LEU 12 HB1 LEU 12 -4.605 1.410 -3.177
90 HG LEU 12 HG LEU 12 -6.458 -0.538 -4.583
91 1HD1 LEU 12 1HD1 LEU 12 -6.010 2.407 -5.131
92 2HD1 LEU 12 2HD1 LEU 12 -7.332 1.804 -4.132
93 3HD1 LEU 12 3HD1 LEU 12 -7.240 1.357 -5.836
94 1HD2 LEU 12 1HD2 LEU 12 -5.089 0.350 -6.599
95 2HD2 LEU 12 2HD2 LEU 12 -4.315 -0.840 -5.554
96 3HD2 LEU 12 3HD2 LEU 12 -3.910 0.870 -5.397
97 H HIS 13 HN HIS 13 -3.929 -0.079 -0.380
98 HA HIS 13 HA HIS 13 -1.340 1.200 -0.736
99 1HB HIS 13 HB2 HIS 13 -3.304 1.468 1.041
100 2HB HIS 13 HB1 HIS 13 -2.375 0.246 1.911
101 HD1 HIS 13 HD1 HIS 13 -2.305 3.823 0.869
102 HD2 HIS 13 HD2 HIS 13 0.283 1.094 2.662
103 HE1 HIS 13 HE1 HIS 13 -0.381 5.173 1.811
104 H LYS 14 HN LYS 14 -2.402 -1.941 0.674
105 HA LYS 14 HA LYS 14 0.157 -2.835 1.535
106 1HB LYS 14 HB2 LYS 14 -0.884 -5.054 1.495
107 2HB LYS 14 HB1 LYS 14 -2.055 -3.869 2.065
108 1HG LYS 14 HG2 LYS 14 -3.408 -4.815 0.497
109 2HG LYS 14 HG1 LYS 14 -2.521 -3.780 -0.616
110 1HD LYS 14 HD2 LYS 14 -1.490 -5.536 -1.601
111 2HD LYS 14 HD1 LYS 14 -1.119 -6.287 -0.048
112 1HE LYS 14 HE2 LYS 14 -3.933 -6.502 -0.366
113 2HE LYS 14 HE1 LYS 14 -3.211 -6.982 -1.914
114 1HZ LYS 14 HZ1 LYS 14 -3.259 -8.858 -0.391
115 2HZ LYS 14 HZ2 LYS 14 -2.397 -7.972 0.774
116 3HZ LYS 14 HZ3 LYS 14 -1.655 -8.397 -0.695
117 H GLN 15 HN GLN 15 -1.253 -2.702 -1.672
118 HA GLN 15 HA GLN 15 0.699 -4.438 -2.965
119 1HB GLN 15 HB2 GLN 15 -1.616 -3.916 -3.796
120 2HB GLN 15 HB1 GLN 15 -1.099 -2.255 -4.080
121 1HG GLN 15 HG2 GLN 15 -0.245 -2.841 -6.075
122 2HG GLN 15 HG1 GLN 15 0.815 -4.012 -5.291
123 1HE2 GLN 15 1HE2 GLN 15 -2.617 -3.691 -6.381
124 2HE2 GLN 15 2HE2 GLN 15 -2.784 -5.328 -6.803
125 H ILE 16 HN ILE 16 0.238 -0.937 -2.608
126 HA ILE 16 HA ILE 16 2.611 -0.117 -4.029
127 HB ILE 16 HB ILE 16 0.815 1.139 -1.931
128 1HG1 ILE 16 2HG1 ILE 16 1.124 1.858 -4.853
129 2HG1 ILE 16 1HG1 ILE 16 0.006 0.604 -4.318
130 1HG2 ILE 16 1HG2 ILE 16 1.928 3.310 -2.858
131 2HG2 ILE 16 2HG2 ILE 16 3.245 2.238 -3.332
132 3HG2 ILE 16 3HG2 ILE 16 2.790 2.376 -1.635
133 1HD1 ILE 16 1HD1 ILE 16 -0.147 3.548 -3.966
134 2HD1 ILE 16 2HD1 ILE 16 -0.665 2.575 -2.589
135 3HD1 ILE 16 3HD1 ILE 16 -1.443 2.369 -4.157
136 H ASN 17 HN ASN 17 1.899 -0.867 -0.645
137 HA ASN 17 HA ASN 17 4.389 -0.030 0.509
138 1HB ASN 17 HB2 ASN 17 1.949 -1.356 1.247
139 2HB ASN 17 HB1 ASN 17 3.303 -2.272 1.904
140 1HD2 ASN 17 1HD2 ASN 17 4.308 -1.424 3.762
141 2HD2 ASN 17 2HD2 ASN 17 4.021 0.132 4.375
142 H ARG 18 HN ARG 18 3.375 -3.083 -1.028
143 HA ARG 18 HA ARG 18 5.607 -4.700 -0.264
144 1HB ARG 18 HB2 ARG 18 3.606 -4.617 -2.505
145 2HB ARG 18 HB1 ARG 18 4.955 -5.747 -2.620
146 1HG ARG 18 HG2 ARG 18 3.687 -5.747 0.026
147 2HG ARG 18 HG1 ARG 18 2.583 -6.216 -1.267
148 1HD ARG 18 HD2 ARG 18 3.555 -8.284 -0.802
149 2HD ARG 18 HD1 ARG 18 4.693 -7.691 -2.027
150 HE ARG 18 HE ARG 18 5.786 -6.630 0.214
151 1HH1 ARG 18 1HH1 ARG 18 6.966 -9.115 -0.976
152 2HH1 ARG 18 2HH1 ARG 18 6.922 -10.217 0.359
153 1HH2 ARG 18 1HH2 ARG 18 4.649 -8.322 2.185
154 2HH2 ARG 18 2HH2 ARG 18 5.605 -9.765 2.157
155 H GLY 19 HN GLY 19 5.105 -2.696 -3.197
156 1HA GLY 19 HA2 GLY 19 7.801 -3.104 -4.186
157 2HA GLY 19 HA1 GLY 19 6.662 -1.889 -4.771
158 H LEU 20 HN LEU 20 6.198 -0.682 -2.164
159 HA LEU 20 HA LEU 20 8.341 1.243 -2.101
160 1HB LEU 20 HB2 LEU 20 6.003 1.711 -1.495
161 2HB LEU 20 HB1 LEU 20 6.105 0.564 -0.161
162 HG LEU 20 HG LEU 20 7.934 1.967 0.828
163 1HD1 LEU 20 1HD1 LEU 20 7.236 3.657 -1.570
164 2HD1 LEU 20 2HD1 LEU 20 8.830 3.181 -0.982
165 3HD1 LEU 20 3HD1 LEU 20 7.896 4.395 -0.109
166 1HD2 LEU 20 1HD2 LEU 20 5.382 3.522 0.317
167 2HD2 LEU 20 2HD2 LEU 20 6.438 3.640 1.725
168 3HD2 LEU 20 3HD2 LEU 20 5.493 2.177 1.453
169 H LYS 21 HN LYS 21 7.624 -1.662 -0.234
170 HA LYS 21 HA LYS 21 9.571 -1.228 1.861
171 1HB LYS 21 HB2 LYS 21 7.627 -2.677 2.120
172 2HB LYS 21 HB1 LYS 21 8.165 -3.690 0.782
173 1HG LYS 21 HG2 LYS 21 10.190 -3.349 2.893
174 2HG LYS 21 HG1 LYS 21 8.725 -4.166 3.438
175 1HD LYS 21 HD2 LYS 21 9.637 -5.099 0.811
176 2HD LYS 21 HD1 LYS 21 10.825 -5.369 2.087
177 1HE LYS 21 HE2 LYS 21 9.305 -6.679 3.377
178 2HE LYS 21 HE1 LYS 21 7.911 -6.133 2.424
179 1HZ LYS 21 HZ1 LYS 21 10.216 -7.655 1.319
180 2HZ LYS 21 HZ2 LYS 21 8.806 -7.203 0.484
181 3HZ LYS 21 HZ3 LYS 21 8.726 -8.349 1.738
182 H LYS 22 HN LYS 22 9.622 -3.321 -1.053
183 HA LYS 22 HA LYS 22 12.277 -4.306 -0.674
184 1HB LYS 22 HB2 LYS 22 12.048 -5.085 -2.948
185 2HB LYS 22 HB1 LYS 22 10.457 -5.181 -2.198
186 1HG LYS 22 HG2 LYS 22 9.768 -4.049 -4.049
187 2HG LYS 22 HG1 LYS 22 10.410 -2.641 -3.208
188 1HD LYS 22 HD2 LYS 22 12.303 -2.538 -4.519
189 2HD LYS 22 HD1 LYS 22 12.331 -4.280 -4.797
190 1HE LYS 22 HE2 LYS 22 9.918 -3.182 -5.944
191 2HE LYS 22 HE1 LYS 22 11.326 -2.293 -6.555
192 1HZ LYS 22 HZ1 LYS 22 10.905 -4.329 -7.837
193 2HZ LYS 22 HZ2 LYS 22 11.102 -5.258 -6.429
194 3HZ LYS 22 HZ3 LYS 22 12.411 -4.376 -7.061
195 H ILE 23 HN ILE 23 11.162 -1.217 -1.871
196 HA ILE 23 HA ILE 23 13.574 -0.474 -3.305
197 HB ILE 23 HB ILE 23 11.181 0.953 -2.131
198 1HG1 ILE 23 2HG1 ILE 23 12.158 0.797 -4.992
199 2HG1 ILE 23 1HG1 ILE 23 11.104 -0.427 -4.284
200 1HG2 ILE 23 1HG2 ILE 23 13.515 2.278 -2.197
201 2HG2 ILE 23 2HG2 ILE 23 11.993 3.054 -2.631
202 3HG2 ILE 23 3HG2 ILE 23 13.068 2.453 -3.893
203 1HD1 ILE 23 1HD1 ILE 23 10.523 2.469 -4.849
204 2HD1 ILE 23 2HD1 ILE 23 9.631 1.625 -3.583
205 3HD1 ILE 23 3HD1 ILE 23 9.561 1.046 -5.247
206 H VAL 24 HN VAL 24 12.342 0.130 -0.027
207 HA VAL 24 HA VAL 24 14.785 1.512 0.833
208 HB VAL 24 HB VAL 24 12.282 0.506 2.228
209 1HG1 VAL 24 1HG1 VAL 24 14.748 1.859 3.270
210 2HG1 VAL 24 2HG1 VAL 24 13.749 0.620 4.028
211 3HG1 VAL 24 3HG1 VAL 24 13.188 2.290 3.970
212 1HG2 VAL 24 1HG2 VAL 24 11.956 2.357 0.617
213 2HG2 VAL 24 2HG2 VAL 24 13.206 3.290 1.439
214 3HG2 VAL 24 3HG2 VAL 24 11.701 2.907 2.274
215 H LEU 25 HN LEU 25 13.345 -1.696 1.131
216 HA LEU 25 HA LEU 25 15.220 -2.758 3.066
217 1HB LEU 25 HB2 LEU 25 12.986 -3.684 2.673
218 2HB LEU 25 HB1 LEU 25 13.397 -4.027 0.994
219 HG LEU 25 HG LEU 25 15.237 -5.531 1.837
220 1HD1 LEU 25 1HD1 LEU 25 13.805 -5.100 4.479
221 2HD1 LEU 25 2HD1 LEU 25 15.434 -4.544 4.095
222 3HD1 LEU 25 3HD1 LEU 25 15.092 -6.271 4.190
223 1HD2 LEU 25 1HD2 LEU 25 12.482 -6.297 2.841
224 2HD2 LEU 25 2HD2 LEU 25 13.752 -7.381 2.273
225 3HD2 LEU 25 3HD2 LEU 25 12.933 -6.312 1.135
226 H GLY 26 HN GLY 26 15.095 -2.696 -0.496
227 1HA GLY 26 HA2 GLY 26 17.485 -4.364 -0.776
228 2HA GLY 26 HA1 GLY 26 16.633 -3.542 -2.084
229 H TRP 27 HN TRP 27 17.152 -1.320 -2.526
230 HA TRP 27 HA TRP 27 19.122 0.141 -0.969
231 1HB TRP 27 HB2 TRP 27 20.972 -0.047 -2.608
232 2HB TRP 27 HB1 TRP 27 20.551 -1.618 -1.934
233 HD1 TRP 27 HD1 TRP 27 19.011 -3.235 -3.521
234 HE1 TRP 27 HE1 TRP 27 18.942 -3.434 -6.090
235 HE3 TRP 27 HE3 TRP 27 21.235 1.179 -4.809
236 HZ2 TRP 27 HZ2 TRP 27 19.730 -1.923 -8.388
237 HZ3 TRP 27 HZ3 TRP 27 21.565 1.771 -7.192
238 HH2 TRP 27 HH2 TRP 27 20.815 0.227 -8.982
239 H ALA 28 HN ALA 28 17.624 -0.260 -4.199
240 HA ALA 28 HA ALA 28 17.787 2.686 -4.632
241 1HB ALA 28 HB1 ALA 28 18.568 1.325 -6.451
242 2HB ALA 28 HB2 ALA 28 16.990 1.940 -6.942
243 3HB ALA 28 HB3 ALA 28 17.149 0.282 -6.362
Start of MODEL 9
1 1H SER 1 HT1 SER 1 -18.061 10.937 -0.119
2 2H SER 1 HT2 SER 1 -19.578 11.626 -0.453
3 3H SER 1 HT3 SER 1 -18.633 10.988 -1.714
4 HA SER 1 HA SER 1 -19.832 9.402 0.506
5 1HB SER 1 HB2 SER 1 -21.106 10.587 -1.580
6 2HB SER 1 HB1 SER 1 -20.595 9.089 -2.352
7 HG SER 1 HG SER 1 -22.065 8.088 -1.242
8 H GLY 2 HN GLY 2 -19.773 7.014 -0.186
9 1HA GLY 2 HA2 GLY 2 -18.688 5.228 -1.434
10 2HA GLY 2 HA1 GLY 2 -17.412 6.362 -1.884
11 H ASN 3 HN ASN 3 -18.835 4.845 1.028
12 HA ASN 3 HA ASN 3 -16.301 5.186 2.509
13 1HB ASN 3 HB2 ASN 3 -17.620 4.334 4.375
14 2HB ASN 3 HB1 ASN 3 -18.582 5.522 3.499
15 1HD2 ASN 3 1HD2 ASN 3 -18.867 2.539 4.929
16 2HD2 ASN 3 2HD2 ASN 3 -20.121 1.891 3.987
17 H TYR 4 HN TYR 4 -18.151 2.567 0.973
18 HA TYR 4 HA TYR 4 -16.737 0.321 2.008
19 1HB TYR 4 HB2 TYR 4 -18.807 0.096 0.786
20 2HB TYR 4 HB1 TYR 4 -18.127 0.902 -0.627
21 HD1 TYR 4 HD1 TYR 4 -17.152 -0.364 -2.341
22 HD2 TYR 4 HD2 TYR 4 -17.629 -2.103 1.558
23 HE1 TYR 4 HE1 TYR 4 -16.379 -2.548 -3.221
24 HE2 TYR 4 HE2 TYR 4 -16.855 -4.288 0.677
25 HH TYR 4 HH TYR 4 -15.182 -4.741 -1.905
26 H VAL 5 HN VAL 5 -16.164 2.151 -1.033
27 HA VAL 5 HA VAL 5 -13.776 0.731 -1.771
28 HB VAL 5 HB VAL 5 -15.252 2.129 -3.247
29 1HG1 VAL 5 1HG1 VAL 5 -13.816 4.500 -2.030
30 2HG1 VAL 5 2HG1 VAL 5 -15.444 4.018 -1.554
31 3HG1 VAL 5 3HG1 VAL 5 -15.124 4.524 -3.212
32 1HG2 VAL 5 1HG2 VAL 5 -13.307 3.290 -4.435
33 2HG2 VAL 5 2HG2 VAL 5 -13.110 1.563 -4.139
34 3HG2 VAL 5 3HG2 VAL 5 -12.291 2.733 -3.105
35 H LEU 6 HN LEU 6 -14.305 3.662 0.208
36 HA LEU 6 HA LEU 6 -11.601 4.524 0.468
37 1HB LEU 6 HB2 LEU 6 -14.058 5.317 1.361
38 2HB LEU 6 HB1 LEU 6 -13.383 4.654 2.848
39 HG LEU 6 HG LEU 6 -12.891 7.066 2.634
40 1HD1 LEU 6 1HD1 LEU 6 -10.610 6.935 3.245
41 2HD1 LEU 6 2HD1 LEU 6 -10.316 5.559 2.181
42 3HD1 LEU 6 3HD1 LEU 6 -11.259 5.348 3.656
43 1HD2 LEU 6 1HD2 LEU 6 -12.617 6.554 -0.046
44 2HD2 LEU 6 2HD2 LEU 6 -10.932 6.676 0.457
45 3HD2 LEU 6 3HD2 LEU 6 -12.038 8.018 0.749
46 H ASP 7 HN ASP 7 -13.472 2.138 2.353
47 HA ASP 7 HA ASP 7 -11.367 1.481 4.219
48 1HB ASP 7 HB2 ASP 7 -14.061 0.868 3.760
49 2HB ASP 7 HB1 ASP 7 -13.231 -0.672 3.542
50 H LEU 8 HN LEU 8 -12.343 0.215 1.047
51 HA LEU 8 HA LEU 8 -10.529 -2.032 0.987
52 1HB LEU 8 HB2 LEU 8 -12.522 -0.752 -0.642
53 2HB LEU 8 HB1 LEU 8 -11.102 -1.082 -1.633
54 HG LEU 8 HG LEU 8 -11.330 -3.389 -0.128
55 1HD1 LEU 8 1HD1 LEU 8 -13.532 -2.626 0.715
56 2HD1 LEU 8 2HD1 LEU 8 -13.690 -4.064 -0.292
57 3HD1 LEU 8 3HD1 LEU 8 -14.110 -2.480 -0.945
58 1HD2 LEU 8 1HD2 LEU 8 -12.666 -2.929 -2.813
59 2HD2 LEU 8 2HD2 LEU 8 -11.952 -4.426 -2.212
60 3HD2 LEU 8 3HD2 LEU 8 -10.917 -3.057 -2.616
61 H ILE 9 HN ILE 9 -10.170 1.391 0.128
62 HA ILE 9 HA ILE 9 -7.864 1.339 -1.495
63 HB ILE 9 HB ILE 9 -8.809 3.211 0.697
64 1HG1 ILE 9 2HG1 ILE 9 -8.734 3.604 -2.304
65 2HG1 ILE 9 1HG1 ILE 9 -10.115 2.891 -1.477
66 1HG2 ILE 9 1HG2 ILE 9 -7.222 4.875 -0.399
67 2HG2 ILE 9 2HG2 ILE 9 -6.462 3.500 -1.199
68 3HG2 ILE 9 3HG2 ILE 9 -6.446 3.616 0.561
69 1HD1 ILE 9 1HD1 ILE 9 -9.115 5.700 -1.422
70 2HD1 ILE 9 2HD1 ILE 9 -9.823 5.061 0.061
71 3HD1 ILE 9 3HD1 ILE 9 -10.772 5.098 -1.424
72 H TYR 10 HN TYR 10 -8.194 0.726 1.948
73 HA TYR 10 HA TYR 10 -5.518 0.960 2.846
74 1HB TYR 10 HB2 TYR 10 -6.500 0.124 4.724
75 2HB TYR 10 HB1 TYR 10 -7.992 0.075 3.799
76 HD1 TYR 10 HD1 TYR 10 -5.123 -1.904 5.022
77 HD2 TYR 10 HD2 TYR 10 -8.879 -2.038 2.945
78 HE1 TYR 10 HE1 TYR 10 -5.157 -4.373 5.238
79 HE2 TYR 10 HE2 TYR 10 -8.912 -4.503 3.158
80 HH TYR 10 HH TYR 10 -6.857 -6.351 3.473
81 H SER 11 HN SER 11 -7.134 -1.743 1.164
82 HA SER 11 HA SER 11 -4.817 -3.505 1.188
83 1HB SER 11 HB2 SER 11 -7.349 -4.015 0.922
84 2HB SER 11 HB1 SER 11 -7.138 -3.537 -0.759
85 HG SER 11 HG SER 11 -5.885 -5.649 0.665
86 H LEU 12 HN LEU 12 -6.202 -1.151 -1.096
87 HA LEU 12 HA LEU 12 -4.474 -1.640 -3.324
88 1HB LEU 12 HB2 LEU 12 -6.446 0.275 -2.412
89 2HB LEU 12 HB1 LEU 12 -5.097 1.127 -3.157
90 HG LEU 12 HG LEU 12 -6.603 -1.181 -4.423
91 1HD1 LEU 12 1HD1 LEU 12 -7.908 0.960 -4.187
92 2HD1 LEU 12 2HD1 LEU 12 -7.625 0.478 -5.858
93 3HD1 LEU 12 3HD1 LEU 12 -6.658 1.764 -5.137
94 1HD2 LEU 12 1HD2 LEU 12 -5.345 -0.477 -6.460
95 2HD2 LEU 12 2HD2 LEU 12 -4.270 -1.028 -5.176
96 3HD2 LEU 12 3HD2 LEU 12 -4.463 0.697 -5.484
97 H HIS 13 HN HIS 13 -4.142 0.349 -0.423
98 HA HIS 13 HA HIS 13 -1.690 1.679 -1.146
99 1HB HIS 13 HB2 HIS 13 -3.512 2.120 0.695
100 2HB HIS 13 HB1 HIS 13 -2.533 1.025 1.672
101 HD1 HIS 13 HD1 HIS 13 -2.617 4.471 0.306
102 HD2 HIS 13 HD2 HIS 13 0.177 1.981 2.142
103 HE1 HIS 13 HE1 HIS 13 -0.685 5.953 1.002
104 H LYS 14 HN LYS 14 -2.398 -1.493 0.235
105 HA LYS 14 HA LYS 14 0.157 -2.089 1.375
106 1HB LYS 14 HB2 LYS 14 -1.940 -3.838 0.047
107 2HB LYS 14 HB1 LYS 14 -0.608 -4.458 1.020
108 1HG LYS 14 HG2 LYS 14 -2.979 -2.819 1.899
109 2HG LYS 14 HG1 LYS 14 -2.383 -4.340 2.559
110 1HD LYS 14 HD2 LYS 14 -0.306 -3.108 3.299
111 2HD LYS 14 HD1 LYS 14 -1.100 -1.608 2.821
112 1HE LYS 14 HE2 LYS 14 -2.552 -1.650 4.604
113 2HE LYS 14 HE1 LYS 14 -2.664 -3.422 4.600
114 1HZ LYS 14 HZ1 LYS 14 -0.151 -2.013 5.297
115 2HZ LYS 14 HZ2 LYS 14 -0.573 -3.630 5.605
116 3HZ LYS 14 HZ3 LYS 14 -1.322 -2.375 6.470
117 H GLN 15 HN GLN 15 -1.052 -2.243 -1.933
118 HA GLN 15 HA GLN 15 1.130 -3.700 -3.106
119 1HB GLN 15 HB2 GLN 15 -1.113 -1.951 -3.956
120 2HB GLN 15 HB1 GLN 15 0.232 -2.057 -5.091
121 1HG GLN 15 HG2 GLN 15 0.068 -4.483 -5.141
122 2HG GLN 15 HG1 GLN 15 -1.170 -4.459 -3.883
123 1HE2 GLN 15 1HE2 GLN 15 -0.558 -3.339 -7.249
124 2HE2 GLN 15 2HE2 GLN 15 -2.194 -3.343 -7.704
125 H ILE 16 HN ILE 16 0.567 -0.235 -2.577
126 HA ILE 16 HA ILE 16 2.971 0.730 -3.832
127 HB ILE 16 HB ILE 16 1.200 1.827 -1.619
128 1HG1 ILE 16 2HG1 ILE 16 1.187 2.933 -4.381
129 2HG1 ILE 16 1HG1 ILE 16 0.496 1.322 -4.191
130 1HG2 ILE 16 1HG2 ILE 16 2.162 4.021 -2.169
131 2HG2 ILE 16 2HG2 ILE 16 3.227 3.271 -3.357
132 3HG2 ILE 16 3HG2 ILE 16 3.430 2.914 -1.642
133 1HD1 ILE 16 1HD1 ILE 16 -0.722 3.807 -3.570
134 2HD1 ILE 16 2HD1 ILE 16 -0.413 2.997 -2.035
135 3HD1 ILE 16 3HD1 ILE 16 -1.366 2.192 -3.282
136 H ASN 17 HN ASN 17 2.178 -0.184 -0.496
137 HA ASN 17 HA ASN 17 4.726 0.496 0.676
138 1HB ASN 17 HB2 ASN 17 2.210 -0.364 1.491
139 2HB ASN 17 HB1 ASN 17 3.249 -1.730 1.891
140 1HD2 ASN 17 1HD2 ASN 17 2.002 0.886 3.371
141 2HD2 ASN 17 2HD2 ASN 17 3.284 1.310 4.399
142 H ARG 18 HN ARG 18 3.402 -2.521 -0.710
143 HA ARG 18 HA ARG 18 5.478 -4.320 -0.029
144 1HB ARG 18 HB2 ARG 18 3.365 -4.988 -1.055
145 2HB ARG 18 HB1 ARG 18 3.748 -4.078 -2.515
146 1HG ARG 18 HG2 ARG 18 4.165 -6.563 -2.701
147 2HG ARG 18 HG1 ARG 18 5.573 -5.562 -3.054
148 1HD ARG 18 HD2 ARG 18 6.706 -6.263 -1.175
149 2HD ARG 18 HD1 ARG 18 5.225 -6.406 -0.211
150 HE ARG 18 HE ARG 18 4.778 -8.547 -1.283
151 1HH1 ARG 18 1HH1 ARG 18 7.687 -8.771 -0.414
152 2HH1 ARG 18 2HH1 ARG 18 8.415 -9.439 -1.836
153 1HH2 ARG 18 1HH2 ARG 18 5.732 -8.646 -3.900
154 2HH2 ARG 18 2HH2 ARG 18 7.307 -9.362 -3.818
155 H GLY 19 HN GLY 19 5.195 -2.284 -2.979
156 1HA GLY 19 HA2 GLY 19 7.799 -2.985 -4.004
157 2HA GLY 19 HA1 GLY 19 6.845 -1.587 -4.509
158 H LEU 20 HN LEU 20 6.585 -0.314 -1.990
159 HA LEU 20 HA LEU 20 8.936 1.264 -1.817
160 1HB LEU 20 HB2 LEU 20 6.812 2.047 -1.003
161 2HB LEU 20 HB1 LEU 20 6.648 0.665 0.077
162 HG LEU 20 HG LEU 20 8.579 1.462 1.393
163 1HD1 LEU 20 1HD1 LEU 20 9.806 2.619 -0.382
164 2HD1 LEU 20 2HD1 LEU 20 9.468 3.744 0.932
165 3HD1 LEU 20 3HD1 LEU 20 8.504 3.798 -0.543
166 1HD2 LEU 20 1HD2 LEU 20 6.422 2.197 2.159
167 2HD2 LEU 20 2HD2 LEU 20 6.335 3.440 0.910
168 3HD2 LEU 20 3HD2 LEU 20 7.489 3.599 2.235
169 H LYS 21 HN LYS 21 7.926 -1.577 0.053
170 HA LYS 21 HA LYS 21 10.123 -1.566 1.920
171 1HB LYS 21 HB2 LYS 21 7.839 -3.225 1.156
172 2HB LYS 21 HB1 LYS 21 9.234 -4.195 1.628
173 1HG LYS 21 HG2 LYS 21 7.959 -3.744 3.627
174 2HG LYS 21 HG1 LYS 21 9.424 -2.763 3.700
175 1HD LYS 21 HD2 LYS 21 7.743 -1.066 2.382
176 2HD LYS 21 HD1 LYS 21 6.602 -1.921 3.419
177 1HE LYS 21 HE2 LYS 21 8.680 -1.425 5.168
178 2HE LYS 21 HE1 LYS 21 8.684 0.032 4.154
179 1HZ LYS 21 HZ1 LYS 21 6.372 -1.145 5.601
180 2HZ LYS 21 HZ2 LYS 21 6.217 0.079 4.431
181 3HZ LYS 21 HZ3 LYS 21 7.084 0.372 5.865
182 H LYS 22 HN LYS 22 9.613 -3.177 -1.205
183 HA LYS 22 HA LYS 22 11.985 -4.780 -1.228
184 1HB LYS 22 HB2 LYS 22 10.030 -5.006 -2.745
185 2HB LYS 22 HB1 LYS 22 10.456 -3.472 -3.505
186 1HG LYS 22 HG2 LYS 22 12.748 -5.258 -3.426
187 2HG LYS 22 HG1 LYS 22 11.382 -6.020 -4.241
188 1HD LYS 22 HD2 LYS 22 11.185 -4.205 -5.800
189 2HD LYS 22 HD1 LYS 22 12.320 -3.215 -4.882
190 1HE LYS 22 HE2 LYS 22 13.912 -5.347 -5.326
191 2HE LYS 22 HE1 LYS 22 12.870 -5.469 -6.757
192 1HZ LYS 22 HZ1 LYS 22 14.313 -3.032 -5.846
193 2HZ LYS 22 HZ2 LYS 22 13.254 -3.100 -7.173
194 3HZ LYS 22 HZ3 LYS 22 14.710 -3.974 -7.199
195 H ILE 23 HN ILE 23 11.407 -1.423 -2.226
196 HA ILE 23 HA ILE 23 13.988 -0.952 -3.421
197 HB ILE 23 HB ILE 23 11.928 0.869 -2.130
198 1HG1 ILE 23 2HG1 ILE 23 12.420 0.639 -5.080
199 2HG1 ILE 23 1HG1 ILE 23 11.506 -0.639 -4.282
200 1HG2 ILE 23 1HG2 ILE 23 13.010 2.702 -3.331
201 2HG2 ILE 23 2HG2 ILE 23 14.202 1.592 -4.007
202 3HG2 ILE 23 3HG2 ILE 23 14.187 1.923 -2.275
203 1HD1 ILE 23 1HD1 ILE 23 9.801 0.841 -4.852
204 2HD1 ILE 23 2HD1 ILE 23 10.814 2.263 -4.603
205 3HD1 ILE 23 3HD1 ILE 23 10.183 1.375 -3.217
206 H VAL 24 HN VAL 24 12.717 -0.498 -0.141
207 HA VAL 24 HA VAL 24 15.202 0.603 0.933
208 HB VAL 24 HB VAL 24 12.661 -0.517 2.167
209 1HG1 VAL 24 1HG1 VAL 24 14.744 1.204 3.535
210 2HG1 VAL 24 2HG1 VAL 24 14.719 -0.554 3.675
211 3HG1 VAL 24 3HG1 VAL 24 13.358 0.396 4.269
212 1HG2 VAL 24 1HG2 VAL 24 11.765 1.522 1.790
213 2HG2 VAL 24 2HG2 VAL 24 13.161 1.869 0.771
214 3HG2 VAL 24 3HG2 VAL 24 13.176 2.331 2.471
215 H LEU 25 HN LEU 25 13.686 -2.559 0.692
216 HA LEU 25 HA LEU 25 15.421 -3.992 2.500
217 1HB LEU 25 HB2 LEU 25 13.261 -4.856 1.882
218 2HB LEU 25 HB1 LEU 25 13.632 -4.730 0.167
219 HG LEU 25 HG LEU 25 15.377 -6.460 0.418
220 1HD1 LEU 25 1HD1 LEU 25 15.281 -7.769 2.634
221 2HD1 LEU 25 2HD1 LEU 25 14.465 -6.354 3.298
222 3HD1 LEU 25 3HD1 LEU 25 16.106 -6.211 2.669
223 1HD2 LEU 25 1HD2 LEU 25 13.068 -7.125 -0.160
224 2HD2 LEU 25 2HD2 LEU 25 12.684 -7.272 1.556
225 3HD2 LEU 25 3HD2 LEU 25 13.857 -8.363 0.819
226 H GLY 26 HN GLY 26 15.569 -3.232 -0.973
227 1HA GLY 26 HA2 GLY 26 17.852 -4.950 -1.502
228 2HA GLY 26 HA1 GLY 26 17.226 -3.704 -2.581
229 H TRP 27 HN TRP 27 17.877 -1.455 -2.147
230 HA TRP 27 HA TRP 27 20.229 -1.134 -0.340
231 1HB TRP 27 HB2 TRP 27 20.327 -1.528 -3.155
232 2HB TRP 27 HB1 TRP 27 20.721 0.166 -2.866
233 HD1 TRP 27 HD1 TRP 27 22.882 0.714 -1.435
234 HE1 TRP 27 HE1 TRP 27 24.947 -0.697 -0.812
235 HE3 TRP 27 HE3 TRP 27 21.143 -3.950 -2.580
236 HZ2 TRP 27 HZ2 TRP 27 25.754 -3.441 -0.801
237 HZ3 TRP 27 HZ3 TRP 27 22.579 -5.942 -2.253
238 HH2 TRP 27 HH2 TRP 27 24.881 -5.694 -1.365
239 H ALA 28 HN ALA 28 18.429 0.704 -2.860
240 HA ALA 28 HA ALA 28 17.582 2.704 -0.859
241 1HB ALA 28 HB1 ALA 28 19.910 3.313 -1.414
242 2HB ALA 28 HB2 ALA 28 18.788 4.526 -2.032
243 3HB ALA 28 HB3 ALA 28 19.496 3.341 -3.129
Start of MODEL 10
1 1H SER 1 HT1 SER 1 -21.323 8.647 6.770
2 2H SER 1 HT2 SER 1 -20.173 7.436 6.454
3 3H SER 1 HT3 SER 1 -21.722 7.016 7.009
4 HA SER 1 HA SER 1 -22.714 7.843 4.949
5 1HB SER 1 HB2 SER 1 -19.792 8.449 4.409
6 2HB SER 1 HB1 SER 1 -21.044 8.517 3.171
7 HG SER 1 HG SER 1 -20.883 10.550 4.008
8 H GLY 2 HN GLY 2 -22.698 6.486 2.942
9 1HA GLY 2 HA2 GLY 2 -21.553 3.805 3.515
10 2HA GLY 2 HA1 GLY 2 -22.849 4.142 2.368
11 H ASN 3 HN ASN 3 -19.359 4.327 2.872
12 HA ASN 3 HA ASN 3 -18.997 4.840 -0.062
13 1HB ASN 3 HB2 ASN 3 -17.490 5.514 2.444
14 2HB ASN 3 HB1 ASN 3 -16.587 5.349 0.939
15 1HD2 ASN 3 1HD2 ASN 3 -18.984 7.316 2.628
16 2HD2 ASN 3 2HD2 ASN 3 -19.024 8.569 1.484
17 H TYR 4 HN TYR 4 -17.392 3.077 2.632
18 HA TYR 4 HA TYR 4 -16.327 0.974 2.687
19 1HB TYR 4 HB2 TYR 4 -18.678 0.503 1.722
20 2HB TYR 4 HB1 TYR 4 -17.879 0.396 0.155
21 HD1 TYR 4 HD1 TYR 4 -17.243 -0.817 3.661
22 HD2 TYR 4 HD2 TYR 4 -17.323 -1.749 -0.533
23 HE1 TYR 4 HE1 TYR 4 -16.557 -3.145 4.164
24 HE2 TYR 4 HE2 TYR 4 -16.636 -4.076 -0.028
25 HH TYR 4 HH TYR 4 -16.966 -5.580 2.507
26 H VAL 5 HN VAL 5 -15.408 3.286 0.696
27 HA VAL 5 HA VAL 5 -13.673 1.578 -1.044
28 HB VAL 5 HB VAL 5 -13.397 3.666 -2.361
29 1HG1 VAL 5 1HG1 VAL 5 -16.301 3.733 -2.140
30 2HG1 VAL 5 2HG1 VAL 5 -15.683 2.081 -2.130
31 3HG1 VAL 5 3HG1 VAL 5 -15.291 3.161 -3.469
32 1HG2 VAL 5 1HG2 VAL 5 -15.320 4.863 -0.337
33 2HG2 VAL 5 2HG2 VAL 5 -14.729 5.658 -1.794
34 3HG2 VAL 5 3HG2 VAL 5 -13.612 5.277 -0.486
35 H LEU 6 HN LEU 6 -13.585 4.262 1.320
36 HA LEU 6 HA LEU 6 -10.749 4.702 1.285
37 1HB LEU 6 HB2 LEU 6 -12.958 5.764 2.536
38 2HB LEU 6 HB1 LEU 6 -12.176 4.922 3.875
39 HG LEU 6 HG LEU 6 -10.525 6.646 2.048
40 1HD1 LEU 6 1HD1 LEU 6 -12.574 7.936 2.842
41 2HD1 LEU 6 2HD1 LEU 6 -11.019 8.616 3.320
42 3HD1 LEU 6 3HD1 LEU 6 -11.977 7.703 4.485
43 1HD2 LEU 6 1HD2 LEU 6 -9.540 5.132 3.821
44 2HD2 LEU 6 2HD2 LEU 6 -10.370 6.112 5.031
45 3HD2 LEU 6 3HD2 LEU 6 -9.126 6.836 4.012
46 H ASP 7 HN ASP 7 -12.823 2.457 3.100
47 HA ASP 7 HA ASP 7 -10.749 1.278 4.731
48 1HB ASP 7 HB2 ASP 7 -13.572 1.038 4.206
49 2HB ASP 7 HB1 ASP 7 -12.856 -0.571 4.144
50 H LEU 8 HN LEU 8 -11.982 0.677 1.469
51 HA LEU 8 HA LEU 8 -10.523 -1.829 1.080
52 1HB LEU 8 HB2 LEU 8 -12.568 -0.277 -0.174
53 2HB LEU 8 HB1 LEU 8 -11.294 -0.542 -1.364
54 HG LEU 8 HG LEU 8 -11.480 -3.008 -0.137
55 1HD1 LEU 8 1HD1 LEU 8 -13.542 -2.177 1.038
56 2HD1 LEU 8 2HD1 LEU 8 -13.837 -3.573 0.002
57 3HD1 LEU 8 3HD1 LEU 8 -14.298 -1.959 -0.539
58 1HD2 LEU 8 1HD2 LEU 8 -11.321 -2.452 -2.582
59 2HD2 LEU 8 2HD2 LEU 8 -13.047 -2.092 -2.572
60 3HD2 LEU 8 3HD2 LEU 8 -12.486 -3.729 -2.235
61 H ILE 9 HN ILE 9 -9.929 1.607 0.435
62 HA ILE 9 HA ILE 9 -7.841 1.522 -1.444
63 HB ILE 9 HB ILE 9 -8.435 3.219 0.980
64 1HG1 ILE 9 2HG1 ILE 9 -9.812 3.282 -1.170
65 2HG1 ILE 9 1HG1 ILE 9 -9.161 4.828 -0.634
66 1HG2 ILE 9 1HG2 ILE 9 -6.704 4.835 0.009
67 2HG2 ILE 9 2HG2 ILE 9 -6.085 3.464 -0.910
68 3HG2 ILE 9 3HG2 ILE 9 -6.061 3.426 0.853
69 1HD1 ILE 9 1HD1 ILE 9 -8.892 4.268 -3.129
70 2HD1 ILE 9 2HD1 ILE 9 -7.693 3.080 -2.617
71 3HD1 ILE 9 3HD1 ILE 9 -7.439 4.792 -2.277
72 H TYR 10 HN TYR 10 -7.807 0.594 1.942
73 HA TYR 10 HA TYR 10 -5.036 0.510 2.507
74 1HB TYR 10 HB2 TYR 10 -5.877 -0.390 4.422
75 2HB TYR 10 HB1 TYR 10 -7.460 -0.225 3.684
76 HD1 TYR 10 HD1 TYR 10 -8.563 -2.174 2.607
77 HD2 TYR 10 HD2 TYR 10 -4.769 -2.544 4.589
78 HE1 TYR 10 HE1 TYR 10 -8.824 -4.636 2.645
79 HE2 TYR 10 HE2 TYR 10 -5.030 -5.009 4.622
80 HH TYR 10 HH TYR 10 -6.345 -6.742 3.185
81 H SER 11 HN SER 11 -7.076 -1.860 0.790
82 HA SER 11 HA SER 11 -4.939 -3.817 0.428
83 1HB SER 11 HB2 SER 11 -7.461 -4.201 0.464
84 2HB SER 11 HB1 SER 11 -7.523 -3.453 -1.128
85 HG SER 11 HG SER 11 -6.476 -5.914 -0.321
86 H LEU 12 HN LEU 12 -6.372 -1.189 -1.488
87 HA LEU 12 HA LEU 12 -4.910 -1.655 -3.926
88 1HB LEU 12 HB2 LEU 12 -6.993 -0.121 -3.163
89 2HB LEU 12 HB1 LEU 12 -5.717 1.090 -3.063
90 HG LEU 12 HG LEU 12 -6.795 1.081 -5.288
91 1HD1 LEU 12 1HD1 LEU 12 -4.253 1.484 -4.864
92 2HD1 LEU 12 2HD1 LEU 12 -4.809 1.260 -6.522
93 3HD1 LEU 12 3HD1 LEU 12 -4.041 -0.074 -5.662
94 1HD2 LEU 12 1HD2 LEU 12 -7.242 -1.459 -5.146
95 2HD2 LEU 12 2HD2 LEU 12 -5.585 -1.653 -5.719
96 3HD2 LEU 12 3HD2 LEU 12 -6.770 -0.810 -6.717
97 H HIS 13 HN HIS 13 -4.208 0.113 -0.959
98 HA HIS 13 HA HIS 13 -1.796 1.404 -1.991
99 1HB HIS 13 HB2 HIS 13 -3.533 1.874 0.042
100 2HB HIS 13 HB1 HIS 13 -2.255 1.046 0.930
101 HD1 HIS 13 HD1 HIS 13 -0.519 2.613 1.790
102 HD2 HIS 13 HD2 HIS 13 -2.209 4.014 -1.756
103 HE1 HIS 13 HE1 HIS 13 0.607 4.824 1.283
104 H LYS 14 HN LYS 14 -2.554 -1.679 -0.522
105 HA LYS 14 HA LYS 14 -0.024 -2.337 0.626
106 1HB LYS 14 HB2 LYS 14 -2.505 -3.479 0.401
107 2HB LYS 14 HB1 LYS 14 -1.558 -4.498 -0.682
108 1HG LYS 14 HG2 LYS 14 -0.666 -3.826 2.132
109 2HG LYS 14 HG1 LYS 14 -1.623 -5.255 1.744
110 1HD LYS 14 HD2 LYS 14 0.155 -5.905 0.080
111 2HD LYS 14 HD1 LYS 14 1.135 -4.572 0.691
112 1HE LYS 14 HE2 LYS 14 1.107 -5.559 2.953
113 2HE LYS 14 HE1 LYS 14 0.096 -6.892 2.363
114 1HZ LYS 14 HZ1 LYS 14 2.469 -7.465 2.329
115 2HZ LYS 14 HZ2 LYS 14 2.772 -6.166 1.275
116 3HZ LYS 14 HZ3 LYS 14 1.801 -7.468 0.770
117 H GLN 15 HN GLN 15 -1.225 -2.596 -2.707
118 HA GLN 15 HA GLN 15 0.966 -4.160 -3.724
119 1HB GLN 15 HB2 GLN 15 0.132 -3.413 -5.919
120 2HB GLN 15 HB1 GLN 15 -1.209 -3.855 -4.867
121 1HG GLN 15 HG2 GLN 15 -2.072 -1.783 -4.991
122 2HG GLN 15 HG1 GLN 15 -0.535 -1.054 -4.528
123 1HE2 GLN 15 1HE2 GLN 15 -2.458 -2.135 -7.325
124 2HE2 GLN 15 2HE2 GLN 15 -1.544 -1.299 -8.486
125 H ILE 16 HN ILE 16 0.706 -0.794 -2.889
126 HA ILE 16 HA ILE 16 3.137 -0.034 -4.401
127 HB ILE 16 HB ILE 16 1.270 1.436 -2.507
128 1HG1 ILE 16 2HG1 ILE 16 1.419 2.336 -5.281
129 2HG1 ILE 16 1HG1 ILE 16 0.922 0.648 -5.169
130 1HG2 ILE 16 1HG2 ILE 16 2.486 3.430 -3.790
131 2HG2 ILE 16 2HG2 ILE 16 3.792 2.249 -3.899
132 3HG2 ILE 16 3HG2 ILE 16 3.175 2.738 -2.321
133 1HD1 ILE 16 1HD1 ILE 16 -0.701 2.899 -4.762
134 2HD1 ILE 16 2HD1 ILE 16 -0.407 2.254 -3.147
135 3HD1 ILE 16 3HD1 ILE 16 -1.112 1.226 -4.393
136 H ASN 17 HN ASN 17 2.050 -0.647 -1.101
137 HA ASN 17 HA ASN 17 4.444 0.174 0.280
138 1HB ASN 17 HB2 ASN 17 1.880 -0.666 0.890
139 2HB ASN 17 HB1 ASN 17 2.860 -2.024 1.437
140 1HD2 ASN 17 1HD2 ASN 17 4.667 -1.490 2.993
141 2HD2 ASN 17 2HD2 ASN 17 4.500 -0.139 4.007
142 H ARG 18 HN ARG 18 3.298 -3.026 -0.877
143 HA ARG 18 HA ARG 18 5.431 -4.620 0.101
144 1HB ARG 18 HB2 ARG 18 4.653 -6.231 -1.521
145 2HB ARG 18 HB1 ARG 18 3.243 -5.324 -0.982
146 1HG ARG 18 HG2 ARG 18 3.425 -3.877 -2.987
147 2HG ARG 18 HG1 ARG 18 4.808 -4.825 -3.533
148 1HD ARG 18 HD2 ARG 18 2.446 -6.463 -2.855
149 2HD ARG 18 HD1 ARG 18 2.205 -5.367 -4.230
150 HE ARG 18 HE ARG 18 4.104 -6.409 -5.346
151 1HH1 ARG 18 1HH2 ARG 18 2.299 -8.617 -3.934
152 2HH1 ARG 18 2HH2 ARG 18 3.545 -9.734 -3.486
153 1HH2 ARG 18 1HH1 ARG 18 6.130 -7.486 -4.075
154 2HH2 ARG 18 2HH1 ARG 18 5.724 -9.090 -3.565
155 H GLY 19 HN GLY 19 5.237 -2.660 -2.871
156 1HA GLY 19 HA2 GLY 19 7.878 -3.522 -3.808
157 2HA GLY 19 HA1 GLY 19 6.880 -2.256 -4.531
158 H LEU 20 HN LEU 20 6.456 -0.679 -2.211
159 HA LEU 20 HA LEU 20 8.775 0.987 -2.170
160 1HB LEU 20 HB2 LEU 20 6.578 1.833 -1.654
161 2HB LEU 20 HB1 LEU 20 6.363 0.651 -0.366
162 HG LEU 20 HG LEU 20 8.125 1.715 0.954
163 1HD1 LEU 20 1HD1 LEU 20 9.711 2.605 -0.492
164 2HD1 LEU 20 2HD1 LEU 20 8.836 4.070 -0.049
165 3HD1 LEU 20 3HD1 LEU 20 8.494 3.270 -1.583
166 1HD2 LEU 20 1HD2 LEU 20 6.973 3.781 1.482
167 2HD2 LEU 20 2HD2 LEU 20 5.760 2.581 1.035
168 3HD2 LEU 20 3HD2 LEU 20 6.232 3.828 -0.119
169 H LYS 21 HN LYS 21 7.672 -1.575 0.011
170 HA LYS 21 HA LYS 21 9.624 -1.237 2.080
171 1HB LYS 21 HB2 LYS 21 7.493 -2.532 2.194
172 2HB LYS 21 HB1 LYS 21 8.198 -3.732 1.111
173 1HG LYS 21 HG2 LYS 21 10.085 -3.344 3.185
174 2HG LYS 21 HG1 LYS 21 8.510 -3.478 3.970
175 1HD LYS 21 HD2 LYS 21 8.149 -5.511 2.378
176 2HD LYS 21 HD1 LYS 21 9.903 -5.471 2.191
177 1HE LYS 21 HE2 LYS 21 9.865 -6.814 4.058
178 2HE LYS 21 HE1 LYS 21 9.667 -5.275 4.919
179 1HZ LYS 21 HZ1 LYS 21 7.215 -5.530 4.455
180 2HZ LYS 21 HZ2 LYS 21 7.863 -6.619 5.587
181 3HZ LYS 21 HZ3 LYS 21 7.542 -7.132 3.999
182 H LYS 22 HN LYS 22 9.648 -3.245 -0.873
183 HA LYS 22 HA LYS 22 12.190 -4.497 -0.305
184 1HB LYS 22 HB2 LYS 22 11.857 -5.535 -2.374
185 2HB LYS 22 HB1 LYS 22 10.210 -5.110 -1.927
186 1HG LYS 22 HG2 LYS 22 10.136 -4.157 -3.991
187 2HG LYS 22 HG1 LYS 22 11.009 -2.834 -3.222
188 1HD LYS 22 HD2 LYS 22 12.559 -3.212 -4.845
189 2HD LYS 22 HD1 LYS 22 13.064 -4.540 -3.801
190 1HE LYS 22 HE2 LYS 22 12.703 -5.796 -5.697
191 2HE LYS 22 HE1 LYS 22 11.011 -5.730 -5.167
192 1HZ LYS 22 HZ1 LYS 22 10.784 -3.631 -6.412
193 2HZ LYS 22 HZ2 LYS 22 11.160 -4.942 -7.425
194 3HZ LYS 22 HZ3 LYS 22 12.364 -3.818 -7.004
195 H ILE 23 HN ILE 23 11.305 -1.411 -1.690
196 HA ILE 23 HA ILE 23 13.855 -0.891 -3.001
197 HB ILE 23 HB ILE 23 11.514 0.813 -2.096
198 1HG1 ILE 23 2HG1 ILE 23 11.097 -0.761 -3.964
199 2HG1 ILE 23 1HG1 ILE 23 11.034 0.912 -4.514
200 1HG2 ILE 23 1HG2 ILE 23 13.296 2.365 -2.103
201 2HG2 ILE 23 2HG2 ILE 23 12.599 2.518 -3.715
202 3HG2 ILE 23 3HG2 ILE 23 14.081 1.592 -3.480
203 1HD1 ILE 23 1HD1 ILE 23 12.335 -0.280 -6.136
204 2HD1 ILE 23 2HD1 ILE 23 13.292 -1.071 -4.885
205 3HD1 ILE 23 3HD1 ILE 23 13.481 0.657 -5.179
206 H VAL 24 HN VAL 24 12.390 -0.010 0.114
207 HA VAL 24 HA VAL 24 14.747 1.428 1.070
208 HB VAL 24 HB VAL 24 12.281 0.322 2.464
209 1HG1 VAL 24 1HG1 VAL 24 14.353 2.348 3.369
210 2HG1 VAL 24 2HG1 VAL 24 14.064 0.757 4.076
211 3HG1 VAL 24 3HG1 VAL 24 12.838 2.018 4.213
212 1HG2 VAL 24 1HG2 VAL 24 11.654 2.819 2.372
213 2HG2 VAL 24 2HG2 VAL 24 11.559 1.924 0.856
214 3HG2 VAL 24 3HG2 VAL 24 12.936 2.979 1.173
215 H LEU 25 HN LEU 25 13.501 -1.851 1.239
216 HA LEU 25 HA LEU 25 15.134 -2.865 3.370
217 1HB LEU 25 HB2 LEU 25 13.212 -4.079 2.619
218 2HB LEU 25 HB1 LEU 25 13.757 -4.048 0.944
219 HG LEU 25 HG LEU 25 15.657 -5.511 1.533
220 1HD1 LEU 25 1HD1 LEU 25 14.388 -5.444 4.288
221 2HD1 LEU 25 2HD1 LEU 25 15.993 -4.856 3.851
222 3HD1 LEU 25 3HD1 LEU 25 15.643 -6.584 3.801
223 1HD2 LEU 25 1HD2 LEU 25 14.240 -7.539 2.209
224 2HD2 LEU 25 2HD2 LEU 25 13.722 -6.674 0.763
225 3HD2 LEU 25 3HD2 LEU 25 12.874 -6.426 2.289
226 H GLY 26 HN GLY 26 15.664 -2.681 -0.166
227 1HA GLY 26 HA2 GLY 26 18.160 -4.102 -0.177
228 2HA GLY 26 HA1 GLY 26 17.607 -3.010 -1.445
229 H TRP 27 HN TRP 27 17.437 -0.591 -0.104
230 HA TRP 27 HA TRP 27 20.282 0.093 0.205
231 1HB TRP 27 HB2 TRP 27 17.669 1.425 -0.213
232 2HB TRP 27 HB1 TRP 27 18.830 2.361 0.728
233 HD1 TRP 27 HD1 TRP 27 20.490 3.716 -0.630
234 HE1 TRP 27 HE1 TRP 27 21.382 3.665 -3.048
235 HE3 TRP 27 HE3 TRP 27 18.162 -0.497 -2.344
236 HZ2 TRP 27 HZ2 TRP 27 21.142 2.052 -5.398
237 HZ3 TRP 27 HZ3 TRP 27 18.512 -1.265 -4.674
238 HH2 TRP 27 HH2 TRP 27 19.998 0.003 -6.202
239 H ALA 28 HN ALA 28 21.099 -0.578 2.197
240 HA ALA 28 HA ALA 28 19.819 0.590 4.632
241 1HB ALA 28 HB1 ALA 28 19.005 -1.696 4.438
242 2HB ALA 28 HB2 ALA 28 20.194 -1.644 5.739
243 3HB ALA 28 HB3 ALA 28 20.640 -2.294 4.162
Start of MODEL 11
1 1H SER 1 HT1 SER 1 -14.076 12.376 -2.506
2 2H SER 1 HT2 SER 1 -14.373 13.099 -0.997
3 3H SER 1 HT3 SER 1 -15.464 13.327 -2.280
4 HA SER 1 HA SER 1 -16.333 11.710 -0.675
5 1HB SER 1 HB2 SER 1 -15.475 10.647 -3.387
6 2HB SER 1 HB1 SER 1 -16.811 10.019 -2.427
7 HG SER 1 HG SER 1 -17.271 11.666 -4.128
8 H GLY 2 HN GLY 2 -15.788 10.126 0.790
9 1HA GLY 2 HA2 GLY 2 -13.583 8.251 0.213
10 2HA GLY 2 HA1 GLY 2 -13.332 9.322 1.594
11 H ASN 3 HN ASN 3 -15.815 7.099 0.280
12 HA ASN 3 HA ASN 3 -16.659 6.493 3.082
13 1HB ASN 3 HB2 ASN 3 -18.665 5.525 1.877
14 2HB ASN 3 HB1 ASN 3 -18.418 7.246 1.603
15 1HD2 ASN 3 1HD2 ASN 3 -19.829 6.612 -0.399
16 2HD2 ASN 3 2HD2 ASN 3 -18.995 6.110 -1.789
17 H TYR 4 HN TYR 4 -17.738 3.946 1.290
18 HA TYR 4 HA TYR 4 -16.180 1.944 2.487
19 1HB TYR 4 HB2 TYR 4 -18.361 1.755 1.229
20 2HB TYR 4 HB1 TYR 4 -17.447 1.883 -0.271
21 HD1 TYR 4 HD1 TYR 4 -17.676 -0.261 -1.242
22 HD2 TYR 4 HD2 TYR 4 -16.494 0.096 2.876
23 HE1 TYR 4 HE1 TYR 4 -17.205 -2.693 -1.164
24 HE2 TYR 4 HE2 TYR 4 -16.023 -2.335 2.949
25 HH TYR 4 HH TYR 4 -17.143 -4.479 1.146
26 H VAL 5 HN VAL 5 -15.507 3.785 -0.477
27 HA VAL 5 HA VAL 5 -13.414 2.173 -1.556
28 HB VAL 5 HB VAL 5 -12.777 4.258 -2.717
29 1HG1 VAL 5 1HG1 VAL 5 -14.740 4.469 -3.936
30 2HG1 VAL 5 2HG1 VAL 5 -15.760 4.447 -2.497
31 3HG1 VAL 5 3HG1 VAL 5 -15.044 2.950 -3.093
32 1HG2 VAL 5 1HG2 VAL 5 -14.477 5.518 -0.559
33 2HG2 VAL 5 2HG2 VAL 5 -14.169 6.340 -2.088
34 3HG2 VAL 5 3HG2 VAL 5 -12.825 5.922 -1.026
35 H LEU 6 HN LEU 6 -13.347 4.659 1.007
36 HA LEU 6 HA LEU 6 -10.502 4.874 1.291
37 1HB LEU 6 HB2 LEU 6 -12.736 6.020 2.395
38 2HB LEU 6 HB1 LEU 6 -12.186 5.008 3.731
39 HG LEU 6 HG LEU 6 -10.198 6.714 2.255
40 1HD1 LEU 6 1HD1 LEU 6 -12.117 8.189 2.863
41 2HD1 LEU 6 2HD1 LEU 6 -10.654 8.577 3.767
42 3HD1 LEU 6 3HD1 LEU 6 -11.953 7.669 4.540
43 1HD2 LEU 6 1HD2 LEU 6 -9.000 6.591 4.333
44 2HD2 LEU 6 2HD2 LEU 6 -9.599 4.964 4.013
45 3HD2 LEU 6 3HD2 LEU 6 -10.418 5.990 5.190
46 H ASP 7 HN ASP 7 -12.887 2.699 2.822
47 HA ASP 7 HA ASP 7 -11.022 1.272 4.492
48 1HB ASP 7 HB2 ASP 7 -13.800 1.281 3.826
49 2HB ASP 7 HB1 ASP 7 -13.216 -0.365 3.592
50 H LEU 8 HN LEU 8 -12.038 0.948 1.122
51 HA LEU 8 HA LEU 8 -10.761 -1.636 0.661
52 1HB LEU 8 HB2 LEU 8 -12.498 0.220 -0.653
53 2HB LEU 8 HB1 LEU 8 -11.145 -0.109 -1.732
54 HG LEU 8 HG LEU 8 -11.731 -2.612 -0.712
55 1HD1 LEU 8 1HD1 LEU 8 -14.331 -1.155 -1.285
56 2HD1 LEU 8 2HD1 LEU 8 -13.801 -1.697 0.308
57 3HD1 LEU 8 3HD1 LEU 8 -14.160 -2.878 -0.952
58 1HD2 LEU 8 1HD2 LEU 8 -11.289 -1.721 -3.110
59 2HD2 LEU 8 2HD2 LEU 8 -13.040 -1.532 -3.212
60 3HD2 LEU 8 3HD2 LEU 8 -12.338 -3.128 -2.939
61 H ILE 9 HN ILE 9 -9.791 1.765 0.321
62 HA ILE 9 HA ILE 9 -7.521 1.567 -1.332
63 HB ILE 9 HB ILE 9 -8.227 3.213 1.101
64 1HG1 ILE 9 2HG1 ILE 9 -9.375 3.477 -1.163
65 2HG1 ILE 9 1HG1 ILE 9 -8.653 4.938 -0.499
66 1HG2 ILE 9 1HG2 ILE 9 -5.870 3.282 1.249
67 2HG2 ILE 9 2HG2 ILE 9 -6.275 4.712 0.300
68 3HG2 ILE 9 3HG2 ILE 9 -5.670 3.263 -0.503
69 1HD1 ILE 9 1HD1 ILE 9 -8.194 3.965 -3.038
70 2HD1 ILE 9 2HD1 ILE 9 -6.798 3.359 -2.149
71 3HD1 ILE 9 3HD1 ILE 9 -7.138 5.089 -2.184
72 H TYR 10 HN TYR 10 -7.959 0.438 1.959
73 HA TYR 10 HA TYR 10 -5.278 0.104 2.818
74 1HB TYR 10 HB2 TYR 10 -6.367 -0.887 4.559
75 2HB TYR 10 HB1 TYR 10 -7.843 -0.475 3.704
76 HD1 TYR 10 HD1 TYR 10 -5.568 -3.160 4.687
77 HD2 TYR 10 HD2 TYR 10 -9.004 -2.190 2.299
78 HE1 TYR 10 HE1 TYR 10 -6.116 -5.570 4.490
79 HE2 TYR 10 HE2 TYR 10 -9.551 -4.598 2.103
80 HH TYR 10 HH TYR 10 -7.657 -6.952 2.460
81 H SER 11 HN SER 11 -7.275 -1.944 0.699
82 HA SER 11 HA SER 11 -5.251 -4.039 0.409
83 1HB SER 11 HB2 SER 11 -7.774 -4.269 0.193
84 2HB SER 11 HB1 SER 11 -7.658 -3.384 -1.325
85 HG SER 11 HG SER 11 -6.178 -5.033 -2.024
86 H LEU 12 HN LEU 12 -6.150 -1.066 -1.259
87 HA LEU 12 HA LEU 12 -4.556 -1.550 -3.648
88 1HB LEU 12 HB2 LEU 12 -6.320 0.482 -2.483
89 2HB LEU 12 HB1 LEU 12 -4.957 1.199 -3.339
90 HG LEU 12 HG LEU 12 -6.885 -0.854 -4.468
91 1HD1 LEU 12 1HD1 LEU 12 -6.457 2.049 -5.234
92 2HD1 LEU 12 2HD1 LEU 12 -7.758 1.491 -4.181
93 3HD1 LEU 12 3HD1 LEU 12 -7.692 0.955 -5.859
94 1HD2 LEU 12 1HD2 LEU 12 -5.584 0.020 -6.620
95 2HD2 LEU 12 2HD2 LEU 12 -4.935 -1.302 -5.652
96 3HD2 LEU 12 3HD2 LEU 12 -4.309 0.333 -5.443
97 H HIS 13 HN HIS 13 -4.025 -0.129 -0.481
98 HA HIS 13 HA HIS 13 -1.489 1.151 -1.157
99 1HB HIS 13 HB2 HIS 13 -3.320 1.601 0.712
100 2HB HIS 13 HB1 HIS 13 -2.346 0.453 1.631
101 HD1 HIS 13 HD1 HIS 13 0.068 1.160 2.270
102 HD2 HIS 13 HD2 HIS 13 -2.012 4.078 0.141
103 HE1 HIS 13 HE1 HIS 13 1.423 3.292 2.464
104 H LYS 14 HN LYS 14 -2.464 -1.936 0.378
105 HA LYS 14 HA LYS 14 0.114 -2.719 1.315
106 1HB LYS 14 HB2 LYS 14 -0.870 -4.924 1.462
107 2HB LYS 14 HB1 LYS 14 -2.135 -3.755 1.829
108 1HG LYS 14 HG2 LYS 14 -3.342 -4.884 0.272
109 2HG LYS 14 HG1 LYS 14 -2.373 -3.988 -0.896
110 1HD LYS 14 HD2 LYS 14 -1.130 -5.811 -1.470
111 2HD LYS 14 HD1 LYS 14 -1.103 -6.437 0.179
112 1HE LYS 14 HE2 LYS 14 -3.806 -6.499 -0.931
113 2HE LYS 14 HE1 LYS 14 -2.667 -7.436 -1.917
114 1HZ LYS 14 HZ1 LYS 14 -3.541 -8.752 -0.063
115 2HZ LYS 14 HZ2 LYS 14 -2.929 -7.616 1.042
116 3HZ LYS 14 HZ3 LYS 14 -1.867 -8.527 0.078
117 H GLN 15 HN GLN 15 -1.269 -2.768 -1.912
118 HA GLN 15 HA GLN 15 0.702 -4.542 -3.101
119 1HB GLN 15 HB2 GLN 15 -1.709 -3.512 -3.833
120 2HB GLN 15 HB1 GLN 15 -0.631 -2.440 -4.727
121 1HG GLN 15 HG2 GLN 15 0.507 -4.415 -5.701
122 2HG GLN 15 HG1 GLN 15 -0.608 -5.472 -4.837
123 1HE2 GLN 15 1HE2 GLN 15 -0.275 -5.049 -7.826
124 2HE2 GLN 15 2HE2 GLN 15 -1.820 -4.616 -8.380
125 H ILE 16 HN ILE 16 0.316 -1.018 -2.873
126 HA ILE 16 HA ILE 16 2.712 -0.288 -4.289
127 HB ILE 16 HB ILE 16 1.020 1.047 -2.149
128 1HG1 ILE 16 2HG1 ILE 16 1.166 1.971 -4.985
129 2HG1 ILE 16 1HG1 ILE 16 0.308 0.461 -4.675
130 1HG2 ILE 16 1HG2 ILE 16 2.204 3.136 -3.336
131 2HG2 ILE 16 2HG2 ILE 16 3.498 1.956 -3.547
132 3HG2 ILE 16 3HG2 ILE 16 2.912 2.344 -1.928
133 1HD1 ILE 16 1HD1 ILE 16 -0.468 3.214 -4.021
134 2HD1 ILE 16 2HD1 ILE 16 -0.622 2.107 -2.658
135 3HD1 ILE 16 3HD1 ILE 16 -1.469 1.769 -4.167
136 H ASN 17 HN ASN 17 2.010 -1.065 -0.916
137 HA ASN 17 HA ASN 17 4.505 -0.315 0.272
138 1HB ASN 17 HB2 ASN 17 2.048 -1.503 0.986
139 2HB ASN 17 HB1 ASN 17 3.275 -2.682 1.436
140 1HD2 ASN 17 1HD2 ASN 17 2.728 -2.137 3.748
141 2HD2 ASN 17 2HD2 ASN 17 3.387 -0.736 4.444
142 H ARG 18 HN ARG 18 3.445 -3.297 -1.360
143 HA ARG 18 HA ARG 18 5.571 -5.044 -0.716
144 1HB ARG 18 HB2 ARG 18 3.930 -4.642 -3.236
145 2HB ARG 18 HB1 ARG 18 4.997 -6.024 -3.000
146 1HG ARG 18 HG2 ARG 18 3.254 -5.582 -0.698
147 2HG ARG 18 HG1 ARG 18 2.341 -5.856 -2.183
148 1HD ARG 18 HD2 ARG 18 3.835 -7.881 -2.599
149 2HD ARG 18 HD1 ARG 18 4.427 -7.671 -0.938
150 HE ARG 18 HE ARG 18 2.162 -8.073 -0.124
151 1HH1 ARG 18 1HH2 ARG 18 0.481 -7.071 -2.307
152 2HH1 ARG 18 2HH2 ARG 18 -0.048 -8.514 -3.105
153 1HH2 ARG 18 1HH1 ARG 18 2.407 -10.519 -1.673
154 2HH2 ARG 18 2HH1 ARG 18 1.049 -10.474 -2.746
155 H GLY 19 HN GLY 19 5.374 -2.674 -3.399
156 1HA GLY 19 HA2 GLY 19 8.149 -3.194 -4.201
157 2HA GLY 19 HA1 GLY 19 7.080 -1.970 -4.892
158 H LEU 20 HN LEU 20 6.357 -0.787 -2.331
159 HA LEU 20 HA LEU 20 8.360 1.214 -2.057
160 1HB LEU 20 HB2 LEU 20 5.971 1.415 -1.439
161 2HB LEU 20 HB1 LEU 20 6.217 0.263 -0.130
162 HG LEU 20 HG LEU 20 7.911 1.824 0.854
163 1HD1 LEU 20 1HD1 LEU 20 6.953 3.553 -1.439
164 2HD1 LEU 20 2HD1 LEU 20 8.611 3.093 -1.052
165 3HD1 LEU 20 3HD1 LEU 20 7.744 4.223 -0.013
166 1HD2 LEU 20 1HD2 LEU 20 6.209 3.531 1.593
167 2HD2 LEU 20 2HD2 LEU 20 5.653 1.863 1.731
168 3HD2 LEU 20 3HD2 LEU 20 5.102 2.869 0.391
169 H LYS 21 HN LYS 21 7.705 -1.671 -0.053
170 HA LYS 21 HA LYS 21 9.806 -1.159 1.854
171 1HB LYS 21 HB2 LYS 21 9.246 -3.328 2.684
172 2HB LYS 21 HB1 LYS 21 7.743 -2.668 2.046
173 1HG LYS 21 HG2 LYS 21 8.498 -3.869 -0.173
174 2HG LYS 21 HG1 LYS 21 9.488 -4.835 0.918
175 1HD LYS 21 HD2 LYS 21 6.557 -4.390 1.472
176 2HD LYS 21 HD1 LYS 21 7.088 -5.673 0.386
177 1HE LYS 21 HE2 LYS 21 7.525 -6.982 2.182
178 2HE LYS 21 HE1 LYS 21 8.724 -5.799 2.735
179 1HZ LYS 21 HZ1 LYS 21 6.795 -6.190 4.289
180 2HZ LYS 21 HZ2 LYS 21 5.805 -5.431 3.135
181 3HZ LYS 21 HZ3 LYS 21 7.076 -4.571 3.868
182 H LYS 22 HN LYS 22 9.743 -2.804 -1.268
183 HA LYS 22 HA LYS 22 12.291 -4.124 -1.066
184 1HB LYS 22 HB2 LYS 22 10.574 -4.643 -2.758
185 2HB LYS 22 HB1 LYS 22 10.735 -3.025 -3.438
186 1HG LYS 22 HG2 LYS 22 13.269 -4.538 -3.224
187 2HG LYS 22 HG1 LYS 22 12.097 -5.208 -4.356
188 1HD LYS 22 HD2 LYS 22 11.950 -2.524 -4.931
189 2HD LYS 22 HD1 LYS 22 13.656 -2.713 -4.529
190 1HE LYS 22 HE2 LYS 22 13.695 -3.248 -6.804
191 2HE LYS 22 HE1 LYS 22 13.428 -4.859 -6.110
192 1HZ LYS 22 HZ1 LYS 22 11.168 -3.046 -6.730
193 2HZ LYS 22 HZ2 LYS 22 11.141 -4.729 -6.489
194 3HZ LYS 22 HZ3 LYS 22 11.810 -4.081 -7.910
195 H ILE 23 HN ILE 23 11.333 -0.833 -1.836
196 HA ILE 23 HA ILE 23 13.949 0.008 -2.829
197 HB ILE 23 HB ILE 23 11.461 1.471 -1.878
198 1HG1 ILE 23 2HG1 ILE 23 12.435 1.319 -4.718
199 2HG1 ILE 23 1HG1 ILE 23 11.572 -0.059 -4.032
200 1HG2 ILE 23 1HG2 ILE 23 13.544 2.861 -1.708
201 2HG2 ILE 23 2HG2 ILE 23 12.392 3.475 -2.893
202 3HG2 ILE 23 3HG2 ILE 23 13.819 2.587 -3.428
203 1HD1 ILE 23 1HD1 ILE 23 10.016 1.499 -5.159
204 2HD1 ILE 23 2HD1 ILE 23 10.549 2.796 -4.089
205 3HD1 ILE 23 3HD1 ILE 23 9.689 1.405 -3.430
206 H VAL 24 HN VAL 24 12.352 -0.204 0.278
207 HA VAL 24 HA VAL 24 14.416 1.427 1.641
208 HB VAL 24 HB VAL 24 11.985 -0.102 2.637
209 1HG1 VAL 24 1HG1 VAL 24 13.796 1.926 3.982
210 2HG1 VAL 24 2HG1 VAL 24 13.573 0.238 4.444
211 3HG1 VAL 24 3HG1 VAL 24 12.251 1.388 4.642
212 1HG2 VAL 24 1HG2 VAL 24 10.889 1.590 1.584
213 2HG2 VAL 24 2HG2 VAL 24 12.363 2.539 1.385
214 3HG2 VAL 24 3HG2 VAL 24 11.476 2.596 2.907
215 H LEU 25 HN LEU 25 13.615 -1.908 1.015
216 HA LEU 25 HA LEU 25 15.495 -2.921 3.085
217 1HB LEU 25 HB2 LEU 25 13.600 -4.233 1.105
218 2HB LEU 25 HB1 LEU 25 14.560 -5.120 2.284
219 HG LEU 25 HG LEU 25 12.506 -2.991 2.931
220 1HD1 LEU 25 1HD1 LEU 25 11.551 -5.137 2.104
221 2HD1 LEU 25 2HD1 LEU 25 11.163 -4.840 3.799
222 3HD1 LEU 25 3HD1 LEU 25 12.430 -5.989 3.374
223 1HD2 LEU 25 1HD2 LEU 25 12.876 -4.003 5.285
224 2HD2 LEU 25 2HD2 LEU 25 14.128 -2.928 4.665
225 3HD2 LEU 25 3HD2 LEU 25 14.365 -4.675 4.620
226 H GLY 26 HN GLY 26 14.985 -3.125 -0.453
227 1HA GLY 26 HA2 GLY 26 17.749 -4.178 -0.761
228 2HA GLY 26 HA1 GLY 26 16.502 -4.203 -2.004
229 H TRP 27 HN TRP 27 15.872 -1.275 -1.308
230 HA TRP 27 HA TRP 27 16.481 0.829 -2.179
231 1HB TRP 27 HB2 TRP 27 18.782 -0.403 -0.873
232 2HB TRP 27 HB1 TRP 27 19.286 0.713 -2.140
233 HD1 TRP 27 HD1 TRP 27 17.905 3.186 -2.036
234 HE1 TRP 27 HE1 TRP 27 17.439 4.611 0.060
235 HE3 TRP 27 HE3 TRP 27 18.456 -0.368 1.589
236 HZ2 TRP 27 HZ2 TRP 27 17.317 4.288 2.899
237 HZ3 TRP 27 HZ3 TRP 27 18.159 0.219 3.979
238 HH2 TRP 27 HH2 TRP 27 17.591 2.540 4.638
239 H ALA 28 HN ALA 28 15.881 -1.060 -4.144
240 HA ALA 28 HA ALA 28 17.888 -0.426 -6.288
241 1HB ALA 28 HB1 ALA 28 16.233 -2.933 -5.836
242 2HB ALA 28 HB2 ALA 28 17.969 -2.779 -5.568
243 3HB ALA 28 HB3 ALA 28 17.316 -2.669 -7.203
Start of MODEL 12
1 1H SER 1 HT1 SER 1 -17.447 11.876 1.895
2 2H SER 1 HT2 SER 1 -17.118 11.976 3.559
3 3H SER 1 HT3 SER 1 -18.706 11.700 3.018
4 HA SER 1 HA SER 1 -16.399 9.828 2.840
5 1HB SER 1 HB2 SER 1 -18.104 8.490 4.221
6 2HB SER 1 HB1 SER 1 -17.386 9.886 5.017
7 HG SER 1 HG SER 1 -19.837 9.523 4.958
8 H GLY 2 HN GLY 2 -16.859 7.847 1.685
9 1HA GLY 2 HA2 GLY 2 -19.026 8.139 -0.352
10 2HA GLY 2 HA1 GLY 2 -17.557 7.189 -0.579
11 H ASN 3 HN ASN 3 -17.830 5.026 -0.357
12 HA ASN 3 HA ASN 3 -19.990 4.046 1.487
13 1HB ASN 3 HB2 ASN 3 -19.346 3.480 -1.379
14 2HB ASN 3 HB1 ASN 3 -19.941 2.139 -0.402
15 1HD2 ASN 3 1HD2 ASN 3 -20.912 4.948 -2.151
16 2HD2 ASN 3 2HD2 ASN 3 -22.528 4.978 -1.634
17 H TYR 4 HN TYR 4 -17.538 2.350 -0.490
18 HA TYR 4 HA TYR 4 -16.214 1.414 2.028
19 1HB TYR 4 HB2 TYR 4 -16.180 -0.880 0.838
20 2HB TYR 4 HB1 TYR 4 -17.713 -0.342 1.518
21 HD1 TYR 4 HD1 TYR 4 -15.742 -0.425 -1.662
22 HD2 TYR 4 HD2 TYR 4 -19.625 -0.111 0.150
23 HE1 TYR 4 HE1 TYR 4 -16.800 -0.600 -3.897
24 HE2 TYR 4 HE2 TYR 4 -20.682 -0.286 -2.086
25 HH TYR 4 HH TYR 4 -19.709 -1.453 -4.491
26 H VAL 5 HN VAL 5 -15.743 2.860 -0.965
27 HA VAL 5 HA VAL 5 -13.412 1.528 -1.970
28 HB VAL 5 HB VAL 5 -14.822 3.187 -3.192
29 1HG1 VAL 5 1HG1 VAL 5 -13.384 5.336 -1.627
30 2HG1 VAL 5 2HG1 VAL 5 -14.969 4.738 -1.138
31 3HG1 VAL 5 3HG1 VAL 5 -14.766 5.510 -2.710
32 1HG2 VAL 5 1HG2 VAL 5 -12.113 4.443 -3.137
33 2HG2 VAL 5 2HG2 VAL 5 -13.069 3.890 -4.513
34 3HG2 VAL 5 3HG2 VAL 5 -12.200 2.723 -3.518
35 H LEU 6 HN LEU 6 -13.767 4.189 0.414
36 HA LEU 6 HA LEU 6 -10.953 4.680 0.784
37 1HB LEU 6 HB2 LEU 6 -13.353 5.722 1.681
38 2HB LEU 6 HB1 LEU 6 -12.730 4.945 3.134
39 HG LEU 6 HG LEU 6 -11.952 7.262 3.038
40 1HD1 LEU 6 1HD1 LEU 6 -9.655 6.865 3.452
41 2HD1 LEU 6 2HD1 LEU 6 -9.587 5.545 2.286
42 3HD1 LEU 6 3HD1 LEU 6 -10.435 5.326 3.816
43 1HD2 LEU 6 1HD2 LEU 6 -10.641 6.485 0.414
44 2HD2 LEU 6 2HD2 LEU 6 -10.551 8.060 1.202
45 3HD2 LEU 6 3HD2 LEU 6 -12.086 7.484 0.554
46 H ASP 7 HN ASP 7 -13.262 2.452 2.321
47 HA ASP 7 HA ASP 7 -11.464 1.325 4.270
48 1HB ASP 7 HB2 ASP 7 -14.142 0.932 3.186
49 2HB ASP 7 HB1 ASP 7 -13.350 -0.615 3.478
50 H LEU 8 HN LEU 8 -12.120 0.660 0.859
51 HA LEU 8 HA LEU 8 -10.599 -1.829 0.731
52 1HB LEU 8 HB2 LEU 8 -12.366 -0.244 -0.875
53 2HB LEU 8 HB1 LEU 8 -10.905 -0.551 -1.812
54 HG LEU 8 HG LEU 8 -11.410 -2.994 -0.585
55 1HD1 LEU 8 1HD1 LEU 8 -13.639 -2.171 0.106
56 2HD1 LEU 8 2HD1 LEU 8 -13.777 -3.467 -1.083
57 3HD1 LEU 8 3HD1 LEU 8 -14.014 -1.790 -1.575
58 1HD2 LEU 8 1HD2 LEU 8 -12.220 -3.622 -2.924
59 2HD2 LEU 8 2HD2 LEU 8 -10.650 -2.821 -2.855
60 3HD2 LEU 8 3HD2 LEU 8 -12.083 -1.911 -3.335
61 H ILE 9 HN ILE 9 -9.885 1.607 0.200
62 HA ILE 9 HA ILE 9 -7.477 1.477 -1.260
63 HB ILE 9 HB ILE 9 -8.505 3.251 0.962
64 1HG1 ILE 9 2HG1 ILE 9 -9.531 3.234 -1.363
65 2HG1 ILE 9 1HG1 ILE 9 -8.940 4.801 -0.820
66 1HG2 ILE 9 1HG2 ILE 9 -5.872 3.431 -0.513
67 2HG2 ILE 9 2HG2 ILE 9 -6.157 3.510 1.226
68 3HG2 ILE 9 3HG2 ILE 9 -6.646 4.851 0.190
69 1HD1 ILE 9 1HD1 ILE 9 -7.099 4.753 -2.257
70 2HD1 ILE 9 2HD1 ILE 9 -8.325 3.943 -3.231
71 3HD1 ILE 9 3HD1 ILE 9 -7.110 2.995 -2.377
72 H TYR 10 HN TYR 10 -8.111 0.610 2.076
73 HA TYR 10 HA TYR 10 -5.511 0.577 3.195
74 1HB TYR 10 HB2 TYR 10 -6.683 -0.380 4.902
75 2HB TYR 10 HB1 TYR 10 -8.097 -0.188 3.880
76 HD1 TYR 10 HD1 TYR 10 -8.931 -2.110 2.508
77 HD2 TYR 10 HD2 TYR 10 -5.690 -2.541 5.295
78 HE1 TYR 10 HE1 TYR 10 -9.205 -4.571 2.446
79 HE2 TYR 10 HE2 TYR 10 -5.962 -5.004 5.228
80 HH TYR 10 HH TYR 10 -8.512 -6.547 4.339
81 H SER 11 HN SER 11 -7.106 -1.764 1.049
82 HA SER 11 HA SER 11 -4.901 -3.693 1.116
83 1HB SER 11 HB2 SER 11 -7.381 -4.140 0.696
84 2HB SER 11 HB1 SER 11 -7.170 -3.391 -0.884
85 HG SER 11 HG SER 11 -6.863 -5.827 -0.527
86 H LEU 12 HN LEU 12 -6.115 -1.190 -1.133
87 HA LEU 12 HA LEU 12 -4.266 -1.539 -3.262
88 1HB LEU 12 HB2 LEU 12 -6.133 0.465 -2.226
89 2HB LEU 12 HB1 LEU 12 -4.742 1.211 -3.008
90 HG LEU 12 HG LEU 12 -6.452 -0.961 -4.256
91 1HD1 LEU 12 1HD1 LEU 12 -6.357 1.949 -5.055
92 2HD1 LEU 12 2HD1 LEU 12 -7.517 1.357 -3.865
93 3HD1 LEU 12 3HD1 LEU 12 -7.542 0.725 -5.512
94 1HD2 LEU 12 1HD2 LEU 12 -5.230 -0.025 -6.341
95 2HD2 LEU 12 2HD2 LEU 12 -4.302 -1.057 -5.253
96 3HD2 LEU 12 3HD2 LEU 12 -4.103 0.694 -5.192
97 H HIS 13 HN HIS 13 -3.987 0.153 -0.180
98 HA HIS 13 HA HIS 13 -1.488 1.483 -0.621
99 1HB HIS 13 HB2 HIS 13 -3.298 1.725 1.222
100 2HB HIS 13 HB1 HIS 13 -2.486 0.373 2.012
101 HD1 HIS 13 HD1 HIS 13 -0.058 0.776 2.879
102 HD2 HIS 13 HD2 HIS 13 -1.852 4.165 1.250
103 HE1 HIS 13 HE1 HIS 13 1.389 2.745 3.551
104 H LYS 14 HN LYS 14 -2.292 -1.797 0.511
105 HA LYS 14 HA LYS 14 0.334 -2.593 1.345
106 1HB LYS 14 HB2 LYS 14 -1.954 -4.195 0.148
107 2HB LYS 14 HB1 LYS 14 -0.603 -4.879 1.046
108 1HG LYS 14 HG2 LYS 14 -2.798 -3.073 2.075
109 2HG LYS 14 HG1 LYS 14 -2.380 -4.693 2.621
110 1HD LYS 14 HD2 LYS 14 -0.036 -3.557 3.136
111 2HD LYS 14 HD1 LYS 14 -1.014 -2.090 3.192
112 1HE LYS 14 HE2 LYS 14 -1.846 -4.562 4.728
113 2HE LYS 14 HE1 LYS 14 -0.714 -3.381 5.420
114 1HZ LYS 14 HZ1 LYS 14 -3.039 -2.825 5.928
115 2HZ LYS 14 HZ2 LYS 14 -3.377 -2.721 4.267
116 3HZ LYS 14 HZ3 LYS 14 -2.299 -1.624 4.987
117 H GLN 15 HN GLN 15 -1.223 -2.433 -1.806
118 HA GLN 15 HA GLN 15 0.728 -3.966 -3.288
119 1HB GLN 15 HB2 GLN 15 -1.695 -3.101 -3.857
120 2HB GLN 15 HB1 GLN 15 -0.848 -1.656 -4.409
121 1HG GLN 15 HG2 GLN 15 -0.809 -2.863 -6.373
122 2HG GLN 15 HG1 GLN 15 0.674 -3.477 -5.642
123 1HE2 GLN 15 1HE2 GLN 15 -2.857 -4.225 -5.793
124 2HE2 GLN 15 2HE2 GLN 15 -2.652 -5.908 -5.692
125 H ILE 16 HN ILE 16 0.336 -0.509 -2.588
126 HA ILE 16 HA ILE 16 2.670 0.412 -4.012
127 HB ILE 16 HB ILE 16 0.967 1.450 -1.730
128 1HG1 ILE 16 2HG1 ILE 16 1.172 2.899 -4.297
129 2HG1 ILE 16 1HG1 ILE 16 0.481 1.281 -4.426
130 1HG2 ILE 16 1HG2 ILE 16 2.128 3.684 -2.303
131 2HG2 ILE 16 2HG2 ILE 16 3.390 2.692 -3.032
132 3HG2 ILE 16 3HG2 ILE 16 3.028 2.536 -1.313
133 1HD1 ILE 16 1HD1 ILE 16 -0.653 3.704 -3.218
134 2HD1 ILE 16 2HD1 ILE 16 -0.766 2.286 -2.175
135 3HD1 ILE 16 3HD1 ILE 16 -1.466 2.248 -3.793
136 H ASN 17 HN ASN 17 2.072 -0.771 -0.744
137 HA ASN 17 HA ASN 17 4.677 -0.178 0.360
138 1HB ASN 17 HB2 ASN 17 2.171 -1.438 1.096
139 2HB ASN 17 HB1 ASN 17 3.528 -2.409 1.664
140 1HD2 ASN 17 1HD2 ASN 17 2.206 0.925 1.743
141 2HD2 ASN 17 2HD2 ASN 17 2.984 1.362 3.188
142 H ARG 18 HN ARG 18 3.304 -2.954 -1.393
143 HA ARG 18 HA ARG 18 5.362 -4.873 -0.939
144 1HB ARG 18 HB2 ARG 18 3.287 -4.300 -3.021
145 2HB ARG 18 HB1 ARG 18 4.518 -5.504 -3.403
146 1HG ARG 18 HG2 ARG 18 3.948 -6.813 -1.461
147 2HG ARG 18 HG1 ARG 18 2.876 -5.549 -0.860
148 1HD ARG 18 HD2 ARG 18 1.972 -6.088 -3.478
149 2HD ARG 18 HD1 ARG 18 2.284 -7.673 -2.744
150 HE ARG 18 HE ARG 18 0.978 -6.042 -0.802
151 1HH1 ARG 18 1HH2 ARG 18 0.188 -8.839 -1.810
152 2HH1 ARG 18 2HH2 ARG 18 -1.400 -8.523 -2.423
153 1HH2 ARG 18 1HH1 ARG 18 -0.985 -5.076 -2.466
154 2HH2 ARG 18 2HH1 ARG 18 -2.064 -6.386 -2.800
155 H GLY 19 HN GLY 19 5.104 -2.270 -3.362
156 1HA GLY 19 HA2 GLY 19 7.705 -2.971 -4.553
157 2HA GLY 19 HA1 GLY 19 6.671 -1.628 -5.038
158 H LEU 20 HN LEU 20 6.457 -0.872 -2.072
159 HA LEU 20 HA LEU 20 8.727 0.971 -2.045
160 1HB LEU 20 HB2 LEU 20 6.510 1.682 -1.353
161 2HB LEU 20 HB1 LEU 20 6.416 0.377 -0.174
162 HG LEU 20 HG LEU 20 8.279 1.365 1.093
163 1HD1 LEU 20 1HD1 LEU 20 8.767 3.855 0.306
164 2HD1 LEU 20 2HD1 LEU 20 8.318 3.207 -1.271
165 3HD1 LEU 20 3HD1 LEU 20 9.666 2.502 -0.379
166 1HD2 LEU 20 1HD2 LEU 20 5.888 2.073 1.488
167 2HD2 LEU 20 2HD2 LEU 20 6.194 3.474 0.460
168 3HD2 LEU 20 3HD2 LEU 20 7.083 3.276 1.971
169 H LYS 21 HN LYS 21 7.699 -1.877 -0.188
170 HA LYS 21 HA LYS 21 9.694 -1.776 1.851
171 1HB LYS 21 HB2 LYS 21 9.040 -4.092 2.241
172 2HB LYS 21 HB1 LYS 21 7.605 -3.159 1.819
173 1HG LYS 21 HG2 LYS 21 7.642 -3.999 -0.446
174 2HG LYS 21 HG1 LYS 21 9.204 -4.774 -0.188
175 1HD LYS 21 HD2 LYS 21 7.254 -5.608 1.809
176 2HD LYS 21 HD1 LYS 21 6.694 -5.951 0.172
177 1HE LYS 21 HE2 LYS 21 9.195 -6.835 -0.132
178 2HE LYS 21 HE1 LYS 21 9.073 -7.050 1.626
179 1HZ LYS 21 HZ1 LYS 21 7.264 -8.140 -0.462
180 2HZ LYS 21 HZ2 LYS 21 6.859 -8.120 1.189
181 3HZ LYS 21 HZ3 LYS 21 8.203 -9.010 0.651
182 H LYS 22 HN LYS 22 9.835 -3.060 -1.447
183 HA LYS 22 HA LYS 22 12.398 -4.407 -1.045
184 1HB LYS 22 HB2 LYS 22 12.218 -4.873 -3.407
185 2HB LYS 22 HB1 LYS 22 10.598 -5.000 -2.732
186 1HG LYS 22 HG2 LYS 22 9.941 -3.538 -4.319
187 2HG LYS 22 HG1 LYS 22 10.833 -2.305 -3.432
188 1HD LYS 22 HD2 LYS 22 12.757 -2.552 -4.782
189 2HD LYS 22 HD1 LYS 22 12.220 -4.112 -5.410
190 1HE LYS 22 HE2 LYS 22 10.219 -2.810 -6.421
191 2HE LYS 22 HE1 LYS 22 11.192 -1.357 -6.115
192 1HZ LYS 22 HZ1 LYS 22 11.661 -2.296 -8.313
193 2HZ LYS 22 HZ2 LYS 22 12.119 -3.766 -7.596
194 3HZ LYS 22 HZ3 LYS 22 13.029 -2.359 -7.313
195 H ILE 23 HN ILE 23 11.405 -1.156 -1.785
196 HA ILE 23 HA ILE 23 13.936 -0.320 -2.993
197 HB ILE 23 HB ILE 23 11.501 1.091 -1.859
198 1HG1 ILE 23 2HG1 ILE 23 11.242 -0.150 -4.005
199 2HG1 ILE 23 1HG1 ILE 23 11.040 1.587 -4.215
200 1HG2 ILE 23 1HG2 ILE 23 13.137 2.734 -1.532
201 2HG2 ILE 23 2HG2 ILE 23 12.574 3.091 -3.166
202 3HG2 ILE 23 3HG2 ILE 23 14.083 2.210 -2.926
203 1HD1 ILE 23 1HD1 ILE 23 13.509 -0.049 -4.863
204 2HD1 ILE 23 2HD1 ILE 23 13.463 1.714 -4.900
205 3HD1 ILE 23 3HD1 ILE 23 12.455 0.781 -6.006
206 H VAL 24 HN VAL 24 12.421 -0.183 0.207
207 HA VAL 24 HA VAL 24 14.675 1.218 1.453
208 HB VAL 24 HB VAL 24 12.255 -0.251 2.564
209 1HG1 VAL 24 1HG1 VAL 24 14.388 1.455 3.838
210 2HG1 VAL 24 2HG1 VAL 24 13.738 -0.091 4.383
211 3HG1 VAL 24 3HG1 VAL 24 12.770 1.376 4.534
212 1HG2 VAL 24 1HG2 VAL 24 12.785 2.631 1.807
213 2HG2 VAL 24 2HG2 VAL 24 11.492 2.182 2.920
214 3HG2 VAL 24 3HG2 VAL 24 11.474 1.586 1.261
215 H LEU 25 HN LEU 25 13.574 -2.099 1.052
216 HA LEU 25 HA LEU 25 15.311 -3.359 2.976
217 1HB LEU 25 HB2 LEU 25 13.333 -4.445 2.109
218 2HB LEU 25 HB1 LEU 25 13.900 -4.272 0.451
219 HG LEU 25 HG LEU 25 15.766 -5.797 0.905
220 1HD1 LEU 25 1HD1 LEU 25 15.831 -7.008 3.091
221 2HD1 LEU 25 2HD1 LEU 25 14.561 -5.940 3.687
222 3HD1 LEU 25 3HD1 LEU 25 16.141 -5.280 3.265
223 1HD2 LEU 25 1HD2 LEU 25 13.481 -6.663 0.238
224 2HD2 LEU 25 2HD2 LEU 25 13.191 -7.013 1.942
225 3HD2 LEU 25 3HD2 LEU 25 14.491 -7.837 1.081
226 H GLY 26 HN GLY 26 15.751 -2.361 -0.399
227 1HA GLY 26 HA2 GLY 26 18.082 -3.875 -1.012
228 2HA GLY 26 HA1 GLY 26 17.658 -2.338 -1.766
229 H TRP 27 HN TRP 27 18.480 -0.373 -0.819
230 HA TRP 27 HA TRP 27 20.169 -0.386 1.548
231 1HB TRP 27 HB2 TRP 27 22.320 -0.216 0.430
232 2HB TRP 27 HB1 TRP 27 21.517 -1.667 -0.160
233 HD1 TRP 27 HD1 TRP 27 20.187 -1.364 -2.581
234 HE1 TRP 27 HE1 TRP 27 20.891 0.023 -4.636
235 HE3 TRP 27 HE3 TRP 27 23.544 1.808 -0.401
236 HZ2 TRP 27 HZ2 TRP 27 22.647 2.190 -5.273
237 HZ3 TRP 27 HZ3 TRP 27 24.718 3.520 -1.753
238 HH2 TRP 27 HH2 TRP 27 24.274 3.716 -4.185
239 H ALA 28 HN ALA 28 21.379 1.766 1.714
240 HA ALA 28 HA ALA 28 21.470 4.115 1.557
241 1HB ALA 28 HB1 ALA 28 21.265 3.244 -0.998
242 2HB ALA 28 HB2 ALA 28 21.310 4.955 -0.575
243 3HB ALA 28 HB3 ALA 28 19.765 4.164 -0.882
Start of MODEL 13
1 1H SER 1 HT1 SER 1 -20.034 1.272 -0.281
2 2H SER 1 HT2 SER 1 -20.787 1.296 -1.803
3 3H SER 1 HT3 SER 1 -21.702 1.564 -0.396
4 HA SER 1 HA SER 1 -19.550 3.361 -1.405
5 1HB SER 1 HB2 SER 1 -21.622 4.809 -1.832
6 2HB SER 1 HB1 SER 1 -21.432 3.415 -2.890
7 HG SER 1 HG SER 1 -23.560 3.859 -1.740
8 H GLY 2 HN GLY 2 -19.054 5.046 0.026
9 1HA GLY 2 HA2 GLY 2 -19.339 6.467 1.925
10 2HA GLY 2 HA1 GLY 2 -20.746 5.513 2.399
11 H ASN 3 HN ASN 3 -17.398 6.012 2.913
12 HA ASN 3 HA ASN 3 -15.856 5.006 4.391
13 1HB ASN 3 HB2 ASN 3 -18.579 4.608 5.434
14 2HB ASN 3 HB1 ASN 3 -17.405 3.461 6.071
15 1HD2 ASN 3 1HD2 ASN 3 -18.386 6.831 6.092
16 2HD2 ASN 3 2HD2 ASN 3 -17.229 7.357 7.216
17 H TYR 4 HN TYR 4 -16.938 3.465 1.919
18 HA TYR 4 HA TYR 4 -16.234 0.687 2.798
19 1HB TYR 4 HB2 TYR 4 -18.469 0.987 1.835
20 2HB TYR 4 HB1 TYR 4 -17.784 1.794 0.427
21 HD1 TYR 4 HD1 TYR 4 -18.009 -1.448 2.229
22 HD2 TYR 4 HD2 TYR 4 -16.819 0.555 -1.381
23 HE1 TYR 4 HE1 TYR 4 -17.719 -3.640 1.107
24 HE2 TYR 4 HE2 TYR 4 -16.529 -1.637 -2.501
25 HH TYR 4 HH TYR 4 -16.129 -4.393 -1.076
26 H VAL 5 HN VAL 5 -15.926 2.772 -0.118
27 HA VAL 5 HA VAL 5 -13.718 1.344 -1.254
28 HB VAL 5 HB VAL 5 -15.231 2.900 -2.460
29 1HG1 VAL 5 1HG1 VAL 5 -15.079 5.293 -2.184
30 2HG1 VAL 5 2HG1 VAL 5 -13.739 5.130 -1.051
31 3HG1 VAL 5 3HG1 VAL 5 -15.354 4.592 -0.589
32 1HG2 VAL 5 1HG2 VAL 5 -13.422 2.745 -3.831
33 2HG2 VAL 5 2HG2 VAL 5 -12.282 3.078 -2.529
34 3HG2 VAL 5 3HG2 VAL 5 -13.119 4.408 -3.328
35 H LEU 6 HN LEU 6 -13.815 4.177 0.948
36 HA LEU 6 HA LEU 6 -11.015 4.759 0.981
37 1HB LEU 6 HB2 LEU 6 -13.301 5.052 2.943
38 2HB LEU 6 HB1 LEU 6 -11.677 5.603 3.352
39 HG LEU 6 HG LEU 6 -13.014 6.448 0.779
40 1HD1 LEU 6 1HD1 LEU 6 -14.547 7.130 2.530
41 2HD1 LEU 6 2HD1 LEU 6 -13.642 8.551 2.008
42 3HD1 LEU 6 3HD1 LEU 6 -13.216 7.739 3.515
43 1HD2 LEU 6 1HD2 LEU 6 -11.442 8.364 1.046
44 2HD2 LEU 6 2HD2 LEU 6 -10.597 6.819 0.970
45 3HD2 LEU 6 3HD2 LEU 6 -10.824 7.625 2.523
46 H ASP 7 HN ASP 7 -12.966 2.424 2.824
47 HA ASP 7 HA ASP 7 -10.845 1.488 4.552
48 1HB ASP 7 HB2 ASP 7 -13.623 0.887 3.854
49 2HB ASP 7 HB1 ASP 7 -12.693 -0.584 4.136
50 H LEU 8 HN LEU 8 -12.002 0.601 1.322
51 HA LEU 8 HA LEU 8 -10.380 -1.788 1.019
52 1HB LEU 8 HB2 LEU 8 -12.368 -0.254 -0.388
53 2HB LEU 8 HB1 LEU 8 -11.038 -0.615 -1.486
54 HG LEU 8 HG LEU 8 -11.369 -3.000 -0.114
55 1HD1 LEU 8 1HD1 LEU 8 -14.103 -1.842 -0.756
56 2HD1 LEU 8 2HD1 LEU 8 -13.474 -2.111 0.869
57 3HD1 LEU 8 3HD1 LEU 8 -13.776 -3.483 -0.197
58 1HD2 LEU 8 1HD2 LEU 8 -12.747 -2.236 -2.709
59 2HD2 LEU 8 2HD2 LEU 8 -12.194 -3.841 -2.229
60 3HD2 LEU 8 3HD2 LEU 8 -11.020 -2.573 -2.581
61 H ILE 9 HN ILE 9 -9.832 1.658 0.432
62 HA ILE 9 HA ILE 9 -7.656 1.633 -1.356
63 HB ILE 9 HB ILE 9 -8.270 3.305 1.099
64 1HG1 ILE 9 2HG1 ILE 9 -9.851 3.315 -0.885
65 2HG1 ILE 9 1HG1 ILE 9 -9.179 4.888 -0.472
66 1HG2 ILE 9 1HG2 ILE 9 -6.079 3.595 -0.955
67 2HG2 ILE 9 2HG2 ILE 9 -5.959 3.689 0.802
68 3HG2 ILE 9 3HG2 ILE 9 -6.723 4.997 -0.101
69 1HD1 ILE 9 1HD1 ILE 9 -7.471 4.624 -2.238
70 2HD1 ILE 9 2HD1 ILE 9 -9.098 4.512 -2.907
71 3HD1 ILE 9 3HD1 ILE 9 -8.149 3.049 -2.653
72 H TYR 10 HN TYR 10 -7.788 0.718 2.024
73 HA TYR 10 HA TYR 10 -5.041 0.681 2.729
74 1HB TYR 10 HB2 TYR 10 -5.970 -0.173 4.626
75 2HB TYR 10 HB1 TYR 10 -7.517 -0.033 3.807
76 HD1 TYR 10 HD1 TYR 10 -8.557 -2.019 2.721
77 HD2 TYR 10 HD2 TYR 10 -4.876 -2.315 4.915
78 HE1 TYR 10 HE1 TYR 10 -8.813 -4.480 2.817
79 HE2 TYR 10 HE2 TYR 10 -5.131 -4.778 5.007
80 HH TYR 10 HH TYR 10 -6.391 -6.556 3.502
81 H SER 11 HN SER 11 -6.985 -1.761 0.993
82 HA SER 11 HA SER 11 -4.810 -3.700 0.798
83 1HB SER 11 HB2 SER 11 -7.401 -3.994 0.700
84 2HB SER 11 HB1 SER 11 -7.245 -3.519 -0.989
85 HG SER 11 HG SER 11 -7.108 -5.834 -0.541
86 H LEU 12 HN LEU 12 -6.196 -1.172 -1.295
87 HA LEU 12 HA LEU 12 -4.662 -1.690 -3.655
88 1HB LEU 12 HB2 LEU 12 -6.638 0.052 -2.830
89 2HB LEU 12 HB1 LEU 12 -5.248 1.126 -2.971
90 HG LEU 12 HG LEU 12 -6.458 1.037 -5.099
91 1HD1 LEU 12 1HD1 LEU 12 -3.896 1.110 -4.986
92 2HD1 LEU 12 2HD1 LEU 12 -4.598 0.611 -6.525
93 3HD1 LEU 12 3HD1 LEU 12 -3.935 -0.597 -5.425
94 1HD2 LEU 12 1HD2 LEU 12 -6.879 -0.981 -6.278
95 2HD2 LEU 12 2HD2 LEU 12 -7.309 -1.351 -4.609
96 3HD2 LEU 12 3HD2 LEU 12 -5.767 -1.901 -5.265
97 H HIS 13 HN HIS 13 -4.050 0.290 -0.782
98 HA HIS 13 HA HIS 13 -1.515 1.376 -1.642
99 1HB HIS 13 HB2 HIS 13 -3.257 1.973 0.292
100 2HB HIS 13 HB1 HIS 13 -2.211 0.917 1.241
101 HD1 HIS 13 HD1 HIS 13 -0.530 2.291 2.465
102 HD2 HIS 13 HD2 HIS 13 -1.284 3.835 -1.336
103 HE1 HIS 13 HE1 HIS 13 1.004 4.285 2.181
104 H LYS 14 HN LYS 14 -2.477 -1.580 0.058
105 HA LYS 14 HA LYS 14 0.026 -2.444 1.075
106 1HB LYS 14 HB2 LYS 14 -2.604 -3.412 0.724
107 2HB LYS 14 HB1 LYS 14 -1.562 -4.596 -0.065
108 1HG LYS 14 HG2 LYS 14 -0.527 -3.665 2.525
109 2HG LYS 14 HG1 LYS 14 -2.076 -4.499 2.638
110 1HD LYS 14 HD2 LYS 14 -0.419 -5.936 0.797
111 2HD LYS 14 HD1 LYS 14 0.508 -5.649 2.268
112 1HE LYS 14 HE2 LYS 14 -2.335 -6.591 2.531
113 2HE LYS 14 HE1 LYS 14 -1.074 -7.768 2.113
114 1HZ LYS 14 HZ1 LYS 14 -1.256 -7.551 4.512
115 2HZ LYS 14 HZ2 LYS 14 -1.004 -5.873 4.409
116 3HZ LYS 14 HZ3 LYS 14 0.242 -6.952 3.989
117 H GLN 15 HN GLN 15 -1.366 -2.738 -2.167
118 HA GLN 15 HA GLN 15 0.705 -4.395 -3.312
119 1HB GLN 15 HB2 GLN 15 -1.265 -2.402 -4.481
120 2HB GLN 15 HB1 GLN 15 -0.296 -3.508 -5.455
121 1HG GLN 15 HG2 GLN 15 -1.347 -5.433 -4.460
122 2HG GLN 15 HG1 GLN 15 -2.152 -4.435 -3.246
123 1HE2 GLN 15 1HE2 GLN 15 -2.368 -5.633 -6.518
124 2HE2 GLN 15 2HE2 GLN 15 -3.821 -4.854 -6.918
125 H ILE 16 HN ILE 16 0.210 -0.894 -3.095
126 HA ILE 16 HA ILE 16 2.580 -0.150 -4.599
127 HB ILE 16 HB ILE 16 0.691 1.235 -2.673
128 1HG1 ILE 16 2HG1 ILE 16 1.121 1.821 -5.602
129 2HG1 ILE 16 1HG1 ILE 16 0.075 0.494 -5.096
130 1HG2 ILE 16 1HG2 ILE 16 1.815 3.353 -3.714
131 2HG2 ILE 16 2HG2 ILE 16 3.174 2.272 -4.025
132 3HG2 ILE 16 3HG2 ILE 16 2.619 2.538 -2.372
133 1HD1 ILE 16 1HD1 ILE 16 -1.109 2.709 -5.464
134 2HD1 ILE 16 2HD1 ILE 16 -0.234 3.323 -4.062
135 3HD1 ILE 16 3HD1 ILE 16 -1.364 1.982 -3.879
136 H ASN 17 HN ASN 17 1.880 -0.909 -1.248
137 HA ASN 17 HA ASN 17 4.335 0.152 -0.110
138 1HB ASN 17 HB2 ASN 17 1.889 -1.143 0.702
139 2HB ASN 17 HB1 ASN 17 3.253 -1.951 1.472
140 1HD2 ASN 17 1HD2 ASN 17 1.539 1.143 1.207
141 2HD2 ASN 17 2HD2 ASN 17 2.325 1.887 2.515
142 H ARG 18 HN ARG 18 3.346 -2.974 -1.479
143 HA ARG 18 HA ARG 18 5.419 -4.660 -0.565
144 1HB ARG 18 HB2 ARG 18 3.756 -4.434 -3.063
145 2HB ARG 18 HB1 ARG 18 5.019 -5.662 -2.977
146 1HG ARG 18 HG2 ARG 18 3.338 -5.526 -0.564
147 2HG ARG 18 HG1 ARG 18 2.453 -5.976 -2.023
148 1HD ARG 18 HD2 ARG 18 3.418 -8.034 -2.076
149 2HD ARG 18 HD1 ARG 18 5.039 -7.353 -1.825
150 HE ARG 18 HE ARG 18 4.247 -7.082 0.643
151 1HH1 ARG 18 1HH1 ARG 18 1.587 -8.405 0.106
152 2HH1 ARG 18 2HH1 ARG 18 1.892 -10.031 0.616
153 1HH2 ARG 18 1HH2 ARG 18 5.350 -9.661 0.595
154 2HH2 ARG 18 2HH2 ARG 18 4.034 -10.747 0.895
155 H GLY 19 HN GLY 19 5.394 -2.597 -3.506
156 1HA GLY 19 HA2 GLY 19 8.140 -3.151 -4.208
157 2HA GLY 19 HA1 GLY 19 7.173 -1.815 -4.834
158 H LEU 20 HN LEU 20 6.539 -0.616 -2.304
159 HA LEU 20 HA LEU 20 8.763 1.119 -1.899
160 1HB LEU 20 HB2 LEU 20 6.599 1.878 -1.317
161 2HB LEU 20 HB1 LEU 20 6.238 0.416 -0.406
162 HG LEU 20 HG LEU 20 7.954 1.084 1.279
163 1HD1 LEU 20 1HD1 LEU 20 8.062 3.589 -0.428
164 2HD1 LEU 20 2HD1 LEU 20 9.389 2.472 -0.108
165 3HD1 LEU 20 3HD1 LEU 20 8.739 3.468 1.195
166 1HD2 LEU 20 1HD2 LEU 20 6.542 2.614 2.394
167 2HD2 LEU 20 2HD2 LEU 20 5.446 1.755 1.312
168 3HD2 LEU 20 3HD2 LEU 20 6.021 3.367 0.886
169 H LYS 21 HN LYS 21 7.679 -1.742 -0.097
170 HA LYS 21 HA LYS 21 9.562 -1.631 2.047
171 1HB LYS 21 HB2 LYS 21 7.663 -3.507 0.830
172 2HB LYS 21 HB1 LYS 21 9.049 -4.318 1.559
173 1HG LYS 21 HG2 LYS 21 7.405 -4.098 3.293
174 2HG LYS 21 HG1 LYS 21 8.652 -2.897 3.629
175 1HD LYS 21 HD2 LYS 21 7.121 -1.330 2.160
176 2HD LYS 21 HD1 LYS 21 5.865 -2.492 2.585
177 1HE LYS 21 HE2 LYS 21 5.767 -1.760 4.745
178 2HE LYS 21 HE1 LYS 21 7.533 -1.644 4.875
179 1HZ LYS 21 HZ1 LYS 21 5.732 0.267 3.474
180 2HZ LYS 21 HZ2 LYS 21 7.432 0.342 3.442
181 3HZ LYS 21 HZ3 LYS 21 6.597 0.561 4.905
182 H LYS 22 HN LYS 22 9.786 -3.065 -1.189
183 HA LYS 22 HA LYS 22 12.353 -4.346 -0.790
184 1HB LYS 22 HB2 LYS 22 10.625 -4.888 -2.536
185 2HB LYS 22 HB1 LYS 22 11.020 -3.367 -3.337
186 1HG LYS 22 HG2 LYS 22 13.428 -4.888 -2.755
187 2HG LYS 22 HG1 LYS 22 12.296 -5.839 -3.716
188 1HD LYS 22 HD2 LYS 22 12.453 -3.087 -4.663
189 2HD LYS 22 HD1 LYS 22 14.033 -3.871 -4.680
190 1HE LYS 22 HE2 LYS 22 13.437 -5.309 -6.356
191 2HE LYS 22 HE1 LYS 22 11.807 -5.549 -5.698
192 1HZ LYS 22 HZ1 LYS 22 11.719 -4.270 -7.750
193 2HZ LYS 22 HZ2 LYS 22 12.772 -3.107 -7.098
194 3HZ LYS 22 HZ3 LYS 22 11.219 -3.317 -6.439
195 H ILE 23 HN ILE 23 11.341 -1.136 -1.869
196 HA ILE 23 HA ILE 23 13.913 -0.247 -2.833
197 HB ILE 23 HB ILE 23 11.435 1.160 -1.788
198 1HG1 ILE 23 2HG1 ILE 23 12.479 1.004 -4.624
199 2HG1 ILE 23 1HG1 ILE 23 11.415 -0.234 -3.957
200 1HG2 ILE 23 1HG2 ILE 23 13.378 2.645 -1.514
201 2HG2 ILE 23 2HG2 ILE 23 12.357 3.208 -2.837
202 3HG2 ILE 23 3HG2 ILE 23 13.855 2.345 -3.185
203 1HD1 ILE 23 1HD1 ILE 23 10.833 2.679 -4.457
204 2HD1 ILE 23 2HD1 ILE 23 9.898 1.772 -3.268
205 3HD1 ILE 23 3HD1 ILE 23 9.905 1.266 -4.957
206 H VAL 24 HN VAL 24 12.429 -0.411 0.343
207 HA VAL 24 HA VAL 24 14.551 1.200 1.620
208 HB VAL 24 HB VAL 24 12.150 -0.341 2.665
209 1HG1 VAL 24 1HG1 VAL 24 12.515 1.006 4.741
210 2HG1 VAL 24 2HG1 VAL 24 14.034 1.588 4.059
211 3HG1 VAL 24 3HG1 VAL 24 13.830 -0.126 4.422
212 1HG2 VAL 24 1HG2 VAL 24 11.100 1.850 2.858
213 2HG2 VAL 24 2HG2 VAL 24 11.666 1.639 1.201
214 3HG2 VAL 24 3HG2 VAL 24 12.581 2.645 2.324
215 H LEU 25 HN LEU 25 13.412 -2.158 1.526
216 HA LEU 25 HA LEU 25 15.459 -3.202 3.310
217 1HB LEU 25 HB2 LEU 25 13.321 -4.300 3.084
218 2HB LEU 25 HB1 LEU 25 13.493 -4.398 1.335
219 HG LEU 25 HG LEU 25 15.364 -5.952 1.567
220 1HD1 LEU 25 1HD1 LEU 25 14.937 -5.462 4.526
221 2HD1 LEU 25 2HD1 LEU 25 16.415 -5.220 3.594
222 3HD1 LEU 25 3HD1 LEU 25 15.831 -6.853 3.913
223 1HD2 LEU 25 1HD2 LEU 25 12.903 -6.652 3.193
224 2HD2 LEU 25 2HD2 LEU 25 14.119 -7.837 2.716
225 3HD2 LEU 25 3HD2 LEU 25 13.188 -6.986 1.484
226 H GLY 26 HN GLY 26 15.027 -3.152 -0.247
227 1HA GLY 26 HA2 GLY 26 17.676 -4.404 -0.633
228 2HA GLY 26 HA1 GLY 26 16.525 -4.004 -1.907
229 H TRP 27 HN TRP 27 16.032 -1.352 -1.534
230 HA TRP 27 HA TRP 27 16.904 0.777 -2.026
231 1HB TRP 27 HB2 TRP 27 17.858 0.001 0.338
232 2HB TRP 27 HB1 TRP 27 19.393 0.033 -0.530
233 HD1 TRP 27 HD1 TRP 27 19.925 2.415 -1.862
234 HE1 TRP 27 HE1 TRP 27 19.424 4.825 -1.101
235 HE3 TRP 27 HE3 TRP 27 16.368 1.498 1.682
236 HZ2 TRP 27 HZ2 TRP 27 17.737 6.186 0.766
237 HZ3 TRP 27 HZ3 TRP 27 15.330 3.366 2.936
238 HH2 TRP 27 HH2 TRP 27 16.011 5.708 2.483
239 H ALA 28 HN ALA 28 17.164 -0.194 -4.299
240 HA ALA 28 HA ALA 28 19.996 -0.692 -5.084
241 1HB ALA 28 HB1 ALA 28 18.082 -0.765 -7.239
242 2HB ALA 28 HB2 ALA 28 17.425 -1.637 -5.855
243 3HB ALA 28 HB3 ALA 28 18.986 -2.102 -6.530
Start of MODEL 14
1 1H SER 1 HT1 SER 1 -19.910 3.746 10.183
2 2H SER 1 HT2 SER 1 -18.514 4.435 10.866
3 3H SER 1 HT3 SER 1 -18.531 3.992 9.225
4 HA SER 1 HA SER 1 -20.196 6.141 10.446
5 1HB SER 1 HB2 SER 1 -17.802 6.265 8.587
6 2HB SER 1 HB1 SER 1 -18.624 7.629 9.336
7 HG SER 1 HG SER 1 -16.972 7.251 10.682
8 H GLY 2 HN GLY 2 -18.837 5.081 7.285
9 1HA GLY 2 HA2 GLY 2 -21.031 4.290 5.881
10 2HA GLY 2 HA1 GLY 2 -21.250 6.041 5.907
11 H ASN 3 HN ASN 3 -18.602 3.700 5.279
12 HA ASN 3 HA ASN 3 -17.977 5.202 2.771
13 1HB ASN 3 HB2 ASN 3 -16.609 5.686 5.034
14 2HB ASN 3 HB1 ASN 3 -15.726 4.258 4.498
15 1HD2 ASN 3 1HD2 ASN 3 -15.069 7.317 4.490
16 2HD2 ASN 3 2HD2 ASN 3 -14.518 7.589 2.908
17 H TYR 4 HN TYR 4 -16.200 3.877 1.540
18 HA TYR 4 HA TYR 4 -16.283 0.958 2.028
19 1HB TYR 4 HB2 TYR 4 -18.358 1.849 0.705
20 2HB TYR 4 HB1 TYR 4 -17.223 2.030 -0.633
21 HD1 TYR 4 HD1 TYR 4 -18.663 -0.412 1.777
22 HD2 TYR 4 HD2 TYR 4 -16.431 0.136 -1.852
23 HE1 TYR 4 HE1 TYR 4 -18.839 -2.840 1.301
24 HE2 TYR 4 HE2 TYR 4 -16.606 -2.291 -2.327
25 HH TYR 4 HH TYR 4 -18.632 -4.218 -1.318
26 H VAL 5 HN VAL 5 -15.466 3.427 -0.457
27 HA VAL 5 HA VAL 5 -13.252 1.981 -1.580
28 HB VAL 5 HB VAL 5 -12.705 4.177 -2.590
29 1HG1 VAL 5 1HG1 VAL 5 -15.711 3.968 -2.496
30 2HG1 VAL 5 2HG1 VAL 5 -14.735 2.728 -3.282
31 3HG1 VAL 5 3HG1 VAL 5 -14.678 4.392 -3.860
32 1HG2 VAL 5 1HG2 VAL 5 -12.999 5.739 -0.828
33 2HG2 VAL 5 2HG2 VAL 5 -14.633 5.174 -0.485
34 3HG2 VAL 5 3HG2 VAL 5 -14.309 6.097 -1.952
35 H LEU 6 HN LEU 6 -13.426 4.387 1.067
36 HA LEU 6 HA LEU 6 -10.622 4.743 1.488
37 1HB LEU 6 HB2 LEU 6 -13.174 5.107 2.950
38 2HB LEU 6 HB1 LEU 6 -11.762 4.919 3.987
39 HG LEU 6 HG LEU 6 -12.170 7.297 3.449
40 1HD1 LEU 6 1HD1 LEU 6 -9.809 6.180 3.626
41 2HD1 LEU 6 2HD1 LEU 6 -9.932 7.835 3.030
42 3HD1 LEU 6 3HD1 LEU 6 -9.721 6.503 1.894
43 1HD2 LEU 6 1HD2 LEU 6 -11.936 8.102 1.152
44 2HD2 LEU 6 2HD2 LEU 6 -13.219 6.894 1.221
45 3HD2 LEU 6 3HD2 LEU 6 -11.634 6.461 0.581
46 H ASP 7 HN ASP 7 -12.914 2.370 2.850
47 HA ASP 7 HA ASP 7 -11.002 0.958 4.483
48 1HB ASP 7 HB2 ASP 7 -13.787 0.828 3.669
49 2HB ASP 7 HB1 ASP 7 -13.073 -0.784 3.647
50 H LEU 8 HN LEU 8 -11.990 0.706 1.089
51 HA LEU 8 HA LEU 8 -10.595 -1.814 0.583
52 1HB LEU 8 HB2 LEU 8 -12.430 -0.024 -0.703
53 2HB LEU 8 HB1 LEU 8 -11.070 -0.296 -1.792
54 HG LEU 8 HG LEU 8 -11.555 -2.822 -0.760
55 1HD1 LEU 8 1HD1 LEU 8 -13.978 -3.176 -1.036
56 2HD1 LEU 8 2HD1 LEU 8 -14.202 -1.453 -1.340
57 3HD1 LEU 8 3HD1 LEU 8 -13.664 -2.007 0.246
58 1HD2 LEU 8 1HD2 LEU 8 -12.244 -3.355 -2.998
59 2HD2 LEU 8 2HD2 LEU 8 -11.086 -2.032 -3.141
60 3HD2 LEU 8 3HD2 LEU 8 -12.815 -1.710 -3.283
61 H ILE 9 HN ILE 9 -9.809 1.638 0.300
62 HA ILE 9 HA ILE 9 -7.548 1.591 -1.375
63 HB ILE 9 HB ILE 9 -8.358 3.155 1.074
64 1HG1 ILE 9 2HG1 ILE 9 -9.454 3.440 -1.197
65 2HG1 ILE 9 1HG1 ILE 9 -8.763 4.910 -0.518
66 1HG2 ILE 9 1HG2 ILE 9 -5.768 3.396 -0.470
67 2HG2 ILE 9 2HG2 ILE 9 -5.986 3.267 1.275
68 3HG2 ILE 9 3HG2 ILE 9 -6.451 4.746 0.436
69 1HD1 ILE 9 1HD1 ILE 9 -7.239 5.092 -2.186
70 2HD1 ILE 9 2HD1 ILE 9 -8.248 3.934 -3.052
71 3HD1 ILE 9 3HD1 ILE 9 -6.851 3.373 -2.135
72 H TYR 10 HN TYR 10 -7.897 0.405 1.911
73 HA TYR 10 HA TYR 10 -5.211 0.177 2.762
74 1HB TYR 10 HB2 TYR 10 -6.261 -0.926 4.460
75 2HB TYR 10 HB1 TYR 10 -7.755 -0.621 3.589
76 HD1 TYR 10 HD1 TYR 10 -5.188 -3.117 4.419
77 HD2 TYR 10 HD2 TYR 10 -8.813 -2.393 2.230
78 HE1 TYR 10 HE1 TYR 10 -5.499 -5.559 4.121
79 HE2 TYR 10 HE2 TYR 10 -9.122 -4.832 1.933
80 HH TYR 10 HH TYR 10 -8.052 -7.034 3.561
81 H SER 11 HN SER 11 -7.102 -1.935 0.606
82 HA SER 11 HA SER 11 -4.995 -3.906 0.211
83 1HB SER 11 HB2 SER 11 -7.507 -4.196 -0.062
84 2HB SER 11 HB1 SER 11 -7.395 -3.224 -1.526
85 HG SER 11 HG SER 11 -7.256 -5.559 -1.823
86 H LEU 12 HN LEU 12 -6.135 -1.000 -1.494
87 HA LEU 12 HA LEU 12 -4.423 -1.229 -3.802
88 1HB LEU 12 HB2 LEU 12 -6.307 0.630 -2.577
89 2HB LEU 12 HB1 LEU 12 -4.944 1.486 -3.291
90 HG LEU 12 HG LEU 12 -6.671 -0.566 -4.704
91 1HD1 LEU 12 1HD1 LEU 12 -6.447 2.420 -5.169
92 2HD1 LEU 12 2HD1 LEU 12 -7.738 1.668 -4.232
93 3HD1 LEU 12 3HD1 LEU 12 -7.567 1.303 -5.948
94 1HD2 LEU 12 1HD2 LEU 12 -4.505 -0.690 -5.681
95 2HD2 LEU 12 2HD2 LEU 12 -4.250 1.049 -5.529
96 3HD2 LEU 12 3HD2 LEU 12 -5.390 0.426 -6.721
97 H HIS 13 HN HIS 13 -3.921 -0.095 -0.535
98 HA HIS 13 HA HIS 13 -1.419 1.327 -1.159
99 1HB HIS 13 HB2 HIS 13 -3.309 1.713 0.677
100 2HB HIS 13 HB1 HIS 13 -2.320 0.584 1.602
101 HD1 HIS 13 HD1 HIS 13 -2.393 4.070 0.318
102 HD2 HIS 13 HD2 HIS 13 0.368 1.525 2.127
103 HE1 HIS 13 HE1 HIS 13 -0.458 5.526 1.064
104 H LYS 14 HN LYS 14 -2.414 -1.802 0.220
105 HA LYS 14 HA LYS 14 0.148 -2.585 1.234
106 1HB LYS 14 HB2 LYS 14 -0.897 -4.667 1.569
107 2HB LYS 14 HB1 LYS 14 -2.258 -3.552 1.559
108 1HG LYS 14 HG2 LYS 14 -3.112 -5.004 0.025
109 2HG LYS 14 HG1 LYS 14 -2.072 -4.132 -1.098
110 1HD LYS 14 HD2 LYS 14 -1.241 -6.212 -1.536
111 2HD LYS 14 HD1 LYS 14 -0.289 -5.913 -0.082
112 1HE LYS 14 HE2 LYS 14 -2.024 -7.041 1.289
113 2HE LYS 14 HE1 LYS 14 -2.960 -7.366 -0.183
114 1HZ LYS 14 HZ1 LYS 14 -1.609 -9.265 0.196
115 2HZ LYS 14 HZ2 LYS 14 -0.221 -8.322 0.465
116 3HZ LYS 14 HZ3 LYS 14 -0.896 -8.423 -1.093
117 H GLN 15 HN GLN 15 -1.159 -2.576 -2.028
118 HA GLN 15 HA GLN 15 0.932 -4.344 -3.094
119 1HB GLN 15 HB2 GLN 15 -0.129 -3.853 -5.234
120 2HB GLN 15 HB1 GLN 15 -1.392 -4.121 -4.038
121 1HG GLN 15 HG2 GLN 15 -2.247 -2.144 -4.726
122 2HG GLN 15 HG1 GLN 15 -0.927 -1.398 -3.832
123 1HE2 GLN 15 1HE2 GLN 15 -1.719 0.116 -5.926
124 2HE2 GLN 15 2HE2 GLN 15 -0.665 -0.023 -7.250
125 H ILE 16 HN ILE 16 0.415 -0.911 -2.619
126 HA ILE 16 HA ILE 16 2.695 -0.052 -4.249
127 HB ILE 16 HB ILE 16 0.955 1.294 -2.147
128 1HG1 ILE 16 2HG1 ILE 16 0.955 1.743 -5.138
129 2HG1 ILE 16 1HG1 ILE 16 -0.052 0.506 -4.386
130 1HG2 ILE 16 1HG2 ILE 16 3.005 2.472 -4.050
131 2HG2 ILE 16 2HG2 ILE 16 3.101 2.448 -2.288
132 3HG2 ILE 16 3HG2 ILE 16 1.868 3.420 -3.091
133 1HD1 ILE 16 1HD1 ILE 16 -1.516 2.308 -4.370
134 2HD1 ILE 16 2HD1 ILE 16 -0.225 3.488 -4.148
135 3HD1 ILE 16 3HD1 ILE 16 -0.755 2.494 -2.790
136 H ASN 17 HN ASN 17 1.964 -0.716 -0.864
137 HA ASN 17 HA ASN 17 4.498 0.172 0.230
138 1HB ASN 17 HB2 ASN 17 1.977 -0.951 1.080
139 2HB ASN 17 HB1 ASN 17 3.294 -1.822 1.861
140 1HD2 ASN 17 1HD2 ASN 17 4.539 -0.695 3.457
141 2HD2 ASN 17 2HD2 ASN 17 4.202 0.899 3.934
142 H ARG 18 HN ARG 18 3.279 -2.900 -1.068
143 HA ARG 18 HA ARG 18 5.293 -4.680 -0.153
144 1HB ARG 18 HB2 ARG 18 3.202 -5.299 -1.335
145 2HB ARG 18 HB1 ARG 18 3.817 -4.555 -2.811
146 1HG ARG 18 HG2 ARG 18 4.166 -6.973 -2.904
147 2HG ARG 18 HG1 ARG 18 5.723 -6.155 -2.790
148 1HD ARG 18 HD2 ARG 18 6.104 -6.885 -0.616
149 2HD ARG 18 HD1 ARG 18 4.372 -6.995 -0.242
150 HE ARG 18 HE ARG 18 4.471 -8.913 -2.067
151 1HH1 ARG 18 1HH2 ARG 18 7.414 -9.018 -2.231
152 2HH1 ARG 18 2HH2 ARG 18 7.829 -10.201 -1.037
153 1HH2 ARG 18 1HH1 ARG 18 4.749 -10.034 0.572
154 2HH2 ARG 18 2HH1 ARG 18 6.314 -10.774 0.563
155 H GLY 19 HN GLY 19 5.205 -2.688 -3.131
156 1HA GLY 19 HA2 GLY 19 7.940 -3.394 -3.875
157 2HA GLY 19 HA1 GLY 19 6.937 -2.166 -4.653
158 H LEU 20 HN LEU 20 6.317 -0.675 -2.263
159 HA LEU 20 HA LEU 20 8.477 1.169 -2.136
160 1HB LEU 20 HB2 LEU 20 6.120 1.635 -1.563
161 2HB LEU 20 HB1 LEU 20 6.244 0.562 -0.171
162 HG LEU 20 HG LEU 20 8.033 2.027 0.758
163 1HD1 LEU 20 1HD1 LEU 20 8.226 4.324 -0.285
164 2HD1 LEU 20 2HD1 LEU 20 7.334 3.699 -1.673
165 3HD1 LEU 20 3HD1 LEU 20 8.910 3.024 -1.260
166 1HD2 LEU 20 1HD2 LEU 20 5.607 2.319 1.340
167 2HD2 LEU 20 2HD2 LEU 20 5.494 3.541 0.072
168 3HD2 LEU 20 3HD2 LEU 20 6.539 3.811 1.468
169 H LYS 21 HN LYS 21 7.596 -1.500 0.041
170 HA LYS 21 HA LYS 21 9.680 -1.052 1.982
171 1HB LYS 21 HB2 LYS 21 7.523 -2.373 2.211
172 2HB LYS 21 HB1 LYS 21 8.284 -3.640 1.248
173 1HG LYS 21 HG2 LYS 21 10.228 -3.239 3.094
174 2HG LYS 21 HG1 LYS 21 8.808 -2.824 4.055
175 1HD LYS 21 HD2 LYS 21 8.092 -5.144 2.625
176 2HD LYS 21 HD1 LYS 21 9.732 -5.436 3.210
177 1HE LYS 21 HE2 LYS 21 9.082 -5.007 5.495
178 2HE LYS 21 HE1 LYS 21 7.485 -4.421 4.986
179 1HZ LYS 21 HZ1 LYS 21 7.105 -6.619 3.953
180 2HZ LYS 21 HZ2 LYS 21 7.292 -6.713 5.639
181 3HZ LYS 21 HZ3 LYS 21 8.570 -7.166 4.615
182 H LYS 22 HN LYS 22 9.471 -3.043 -0.946
183 HA LYS 22 HA LYS 22 11.925 -4.484 -0.661
184 1HB LYS 22 HB2 LYS 22 10.060 -4.981 -2.239
185 2HB LYS 22 HB1 LYS 22 10.477 -3.532 -3.154
186 1HG LYS 22 HG2 LYS 22 12.811 -5.220 -2.709
187 2HG LYS 22 HG1 LYS 22 11.528 -6.095 -3.546
188 1HD LYS 22 HD2 LYS 22 12.192 -3.312 -4.445
189 2HD LYS 22 HD1 LYS 22 13.263 -4.634 -4.914
190 1HE LYS 22 HE2 LYS 22 11.577 -5.733 -6.147
191 2HE LYS 22 HE1 LYS 22 10.274 -4.867 -5.310
192 1HZ LYS 22 HZ1 LYS 22 11.029 -2.805 -6.292
193 2HZ LYS 22 HZ2 LYS 22 10.714 -3.934 -7.523
194 3HZ LYS 22 HZ3 LYS 22 12.317 -3.598 -7.065
195 H ILE 23 HN ILE 23 11.215 -1.302 -2.068
196 HA ILE 23 HA ILE 23 13.816 -0.807 -3.194
197 HB ILE 23 HB ILE 23 11.588 0.992 -2.187
198 1HG1 ILE 23 2HG1 ILE 23 12.328 0.529 -5.064
199 2HG1 ILE 23 1HG1 ILE 23 11.386 -0.695 -4.214
200 1HG2 ILE 23 1HG2 ILE 23 14.205 1.611 -3.531
201 2HG2 ILE 23 2HG2 ILE 23 13.383 2.485 -2.238
202 3HG2 ILE 23 3HG2 ILE 23 12.790 2.600 -3.896
203 1HD1 ILE 23 1HD1 ILE 23 10.661 2.226 -4.564
204 2HD1 ILE 23 2HD1 ILE 23 9.763 1.097 -3.549
205 3HD1 ILE 23 3HD1 ILE 23 9.846 0.840 -5.292
206 H VAL 24 HN VAL 24 12.367 0.138 -0.076
207 HA VAL 24 HA VAL 24 14.764 1.389 0.966
208 HB VAL 24 HB VAL 24 12.215 0.306 2.208
209 1HG1 VAL 24 1HG1 VAL 24 13.057 2.060 4.044
210 2HG1 VAL 24 2HG1 VAL 24 14.634 1.561 3.434
211 3HG1 VAL 24 3HG1 VAL 24 13.528 0.362 4.106
212 1HG2 VAL 24 1HG2 VAL 24 13.183 3.071 1.421
213 2HG2 VAL 24 2HG2 VAL 24 11.749 2.790 2.410
214 3HG2 VAL 24 3HG2 VAL 24 11.809 2.190 0.754
215 H LEU 25 HN LEU 25 13.389 -1.855 1.107
216 HA LEU 25 HA LEU 25 15.093 -2.993 3.108
217 1HB LEU 25 HB2 LEU 25 13.090 -4.113 2.412
218 2HB LEU 25 HB1 LEU 25 13.563 -4.055 0.716
219 HG LEU 25 HG LEU 25 15.390 -5.626 1.137
220 1HD1 LEU 25 1HD1 LEU 25 15.185 -6.742 3.549
221 2HD1 LEU 25 2HD1 LEU 25 14.574 -5.144 3.977
222 3HD1 LEU 25 3HD1 LEU 25 16.189 -5.316 3.290
223 1HD2 LEU 25 1HD2 LEU 25 13.090 -6.488 0.663
224 2HD2 LEU 25 2HD2 LEU 25 12.814 -6.614 2.400
225 3HD2 LEU 25 3HD2 LEU 25 14.052 -7.605 1.629
226 H GLY 26 HN GLY 26 15.452 -2.634 -0.424
227 1HA GLY 26 HA2 GLY 26 17.963 -4.094 -0.547
228 2HA GLY 26 HA1 GLY 26 17.289 -3.089 -1.830
229 H TRP 27 HN TRP 27 17.239 -0.603 -1.037
230 HA TRP 27 HA TRP 27 19.525 0.192 0.619
231 1HB TRP 27 HB2 TRP 27 20.617 -0.555 -1.458
232 2HB TRP 27 HB1 TRP 27 19.572 0.506 -2.403
233 HD1 TRP 27 HD1 TRP 27 20.618 2.737 -2.979
234 HE1 TRP 27 HE1 TRP 27 22.432 4.256 -1.953
235 HE3 TRP 27 HE3 TRP 27 21.774 0.037 1.198
236 HZ2 TRP 27 HZ2 TRP 27 24.146 4.318 0.336
237 HZ3 TRP 27 HZ3 TRP 27 23.498 0.848 2.783
238 HH2 TRP 27 HH2 TRP 27 24.684 2.983 2.358
239 H ALA 28 HN ALA 28 18.976 2.135 1.501
240 HA ALA 28 HA ALA 28 17.996 4.247 1.810
241 1HB ALA 28 HB1 ALA 28 19.155 4.422 -0.506
242 2HB ALA 28 HB2 ALA 28 17.927 5.627 -0.113
243 3HB ALA 28 HB3 ALA 28 17.529 4.278 -1.175
Start of MODEL 15
1 1H SER 1 HT1 SER 1 -25.921 6.320 2.836
2 2H SER 1 HT2 SER 1 -24.593 7.379 2.901
3 3H SER 1 HT3 SER 1 -25.477 7.032 4.310
4 HA SER 1 HA SER 1 -24.714 4.760 4.317
5 1HB SER 1 HB2 SER 1 -23.486 5.643 1.685
6 2HB SER 1 HB1 SER 1 -23.166 4.090 2.453
7 HG SER 1 HG SER 1 -24.838 3.770 1.045
8 H GLY 2 HN GLY 2 -22.385 4.117 4.849
9 1HA GLY 2 HA2 GLY 2 -20.979 6.461 5.987
10 2HA GLY 2 HA1 GLY 2 -20.653 4.771 6.375
11 H ASN 3 HN ASN 3 -18.544 4.432 5.796
12 HA ASN 3 HA ASN 3 -17.666 5.387 3.087
13 1HB ASN 3 HB2 ASN 3 -16.134 4.842 5.653
14 2HB ASN 3 HB1 ASN 3 -15.386 5.323 4.130
15 1HD2 ASN 3 1HD2 ASN 3 -17.012 7.354 3.186
16 2HD2 ASN 3 2HD2 ASN 3 -17.100 8.622 4.310
17 H TYR 4 HN TYR 4 -16.349 3.908 1.848
18 HA TYR 4 HA TYR 4 -16.161 1.094 2.806
19 1HB TYR 4 HB2 TYR 4 -18.348 1.826 1.458
20 2HB TYR 4 HB1 TYR 4 -17.279 1.605 0.073
21 HD1 TYR 4 HD1 TYR 4 -16.190 -0.605 -0.331
22 HD2 TYR 4 HD2 TYR 4 -19.128 -0.042 2.753
23 HE1 TYR 4 HE1 TYR 4 -16.490 -3.061 -0.168
24 HE2 TYR 4 HE2 TYR 4 -19.428 -2.498 2.914
25 HH TYR 4 HH TYR 4 -18.817 -4.563 0.841
26 H VAL 5 HN VAL 5 -15.633 3.211 -0.053
27 HA VAL 5 HA VAL 5 -13.488 1.689 -1.184
28 HB VAL 5 HB VAL 5 -13.062 3.759 -2.463
29 1HG1 VAL 5 1HG1 VAL 5 -15.037 3.661 -3.629
30 2HG1 VAL 5 2HG1 VAL 5 -16.028 3.811 -2.178
31 3HG1 VAL 5 3HG1 VAL 5 -15.290 2.262 -2.586
32 1HG2 VAL 5 1HG2 VAL 5 -14.470 5.787 -1.902
33 2HG2 VAL 5 2HG2 VAL 5 -13.197 5.438 -0.735
34 3HG2 VAL 5 3HG2 VAL 5 -14.868 5.009 -0.371
35 H LEU 6 HN LEU 6 -13.484 4.294 1.262
36 HA LEU 6 HA LEU 6 -10.680 4.779 1.394
37 1HB LEU 6 HB2 LEU 6 -12.962 5.655 2.658
38 2HB LEU 6 HB1 LEU 6 -12.180 4.738 3.946
39 HG LEU 6 HG LEU 6 -10.511 6.624 2.323
40 1HD1 LEU 6 1HD1 LEU 6 -12.678 7.788 3.057
41 2HD1 LEU 6 2HD1 LEU 6 -11.169 8.527 3.593
42 3HD1 LEU 6 3HD1 LEU 6 -12.116 7.549 4.712
43 1HD2 LEU 6 1HD2 LEU 6 -9.569 5.085 4.073
44 2HD2 LEU 6 2HD2 LEU 6 -10.550 5.921 5.276
45 3HD2 LEU 6 3HD2 LEU 6 -9.279 6.791 4.416
46 H ASP 7 HN ASP 7 -12.694 2.307 2.980
47 HA ASP 7 HA ASP 7 -10.576 1.123 4.548
48 1HB ASP 7 HB2 ASP 7 -13.344 0.870 4.203
49 2HB ASP 7 HB1 ASP 7 -12.706 -0.675 3.643
50 H LEU 8 HN LEU 8 -11.940 0.481 1.323
51 HA LEU 8 HA LEU 8 -10.364 -1.836 0.687
52 1HB LEU 8 HB2 LEU 8 -12.306 -0.087 -0.499
53 2HB LEU 8 HB1 LEU 8 -10.992 -0.329 -1.649
54 HG LEU 8 HG LEU 8 -11.347 -2.867 -0.633
55 1HD1 LEU 8 1HD1 LEU 8 -13.769 -3.298 -0.700
56 2HD1 LEU 8 2HD1 LEU 8 -14.078 -1.584 -0.974
57 3HD1 LEU 8 3HD1 LEU 8 -13.390 -2.120 0.558
58 1HD2 LEU 8 1HD2 LEU 8 -12.571 -1.526 -3.064
59 2HD2 LEU 8 2HD2 LEU 8 -12.554 -3.272 -2.819
60 3HD2 LEU 8 3HD2 LEU 8 -11.036 -2.390 -2.982
61 H ILE 9 HN ILE 9 -9.689 1.641 0.443
62 HA ILE 9 HA ILE 9 -7.508 1.677 -1.341
63 HB ILE 9 HB ILE 9 -8.129 3.191 1.208
64 1HG1 ILE 9 2HG1 ILE 9 -8.158 4.101 -1.682
65 2HG1 ILE 9 1HG1 ILE 9 -9.569 3.419 -0.879
66 1HG2 ILE 9 1HG2 ILE 9 -6.428 4.874 0.297
67 2HG2 ILE 9 2HG2 ILE 9 -5.839 3.571 -0.733
68 3HG2 ILE 9 3HG2 ILE 9 -5.758 3.413 1.022
69 1HD1 ILE 9 1HD1 ILE 9 -8.272 6.062 -0.503
70 2HD1 ILE 9 2HD1 ILE 9 -8.855 5.268 0.961
71 3HD1 ILE 9 3HD1 ILE 9 -9.972 5.613 -0.361
72 H TYR 10 HN TYR 10 -7.685 0.444 1.939
73 HA TYR 10 HA TYR 10 -4.935 0.281 2.631
74 1HB TYR 10 HB2 TYR 10 -5.845 -0.792 4.429
75 2HB TYR 10 HB1 TYR 10 -7.398 -0.464 3.679
76 HD1 TYR 10 HD1 TYR 10 -4.895 -3.015 4.459
77 HD2 TYR 10 HD2 TYR 10 -8.545 -2.238 2.332
78 HE1 TYR 10 HE1 TYR 10 -5.294 -5.452 4.246
79 HE2 TYR 10 HE2 TYR 10 -8.943 -4.672 2.121
80 HH TYR 10 HH TYR 10 -7.994 -6.837 3.731
81 H SER 11 HN SER 11 -6.939 -1.871 0.627
82 HA SER 11 HA SER 11 -4.861 -3.876 0.214
83 1HB SER 11 HB2 SER 11 -7.441 -4.050 0.040
84 2HB SER 11 HB1 SER 11 -7.263 -3.297 -1.541
85 HG SER 11 HG SER 11 -7.029 -5.824 -0.984
86 H LEU 12 HN LEU 12 -6.100 -1.057 -1.580
87 HA LEU 12 HA LEU 12 -4.496 -1.334 -3.940
88 1HB LEU 12 HB2 LEU 12 -6.489 0.320 -2.992
89 2HB LEU 12 HB1 LEU 12 -5.090 1.390 -2.953
90 HG LEU 12 HG LEU 12 -6.231 1.558 -5.117
91 1HD1 LEU 12 1HD1 LEU 12 -3.681 -0.013 -5.537
92 2HD1 LEU 12 2HD1 LEU 12 -3.680 1.633 -4.902
93 3HD1 LEU 12 3HD1 LEU 12 -4.317 1.310 -6.515
94 1HD2 LEU 12 1HD2 LEU 12 -6.538 -0.320 -6.567
95 2HD2 LEU 12 2HD2 LEU 12 -7.115 -0.839 -4.984
96 3HD2 LEU 12 3HD2 LEU 12 -5.528 -1.354 -5.557
97 H HIS 13 HN HIS 13 -3.990 0.442 -0.901
98 HA HIS 13 HA HIS 13 -1.376 1.482 -1.571
99 1HB HIS 13 HB2 HIS 13 -3.214 2.023 0.310
100 2HB HIS 13 HB1 HIS 13 -2.210 0.920 1.249
101 HD1 HIS 13 HD1 HIS 13 0.132 1.705 1.922
102 HD2 HIS 13 HD2 HIS 13 -1.847 4.430 -0.533
103 HE1 HIS 13 HE1 HIS 13 1.507 3.832 1.959
104 H LYS 14 HN LYS 14 -2.526 -1.444 0.091
105 HA LYS 14 HA LYS 14 -0.079 -2.450 1.101
106 1HB LYS 14 HB2 LYS 14 -2.180 -3.448 1.691
107 2HB LYS 14 HB1 LYS 14 -2.598 -3.725 0.003
108 1HG LYS 14 HG2 LYS 14 -1.905 -5.831 1.028
109 2HG LYS 14 HG1 LYS 14 -0.708 -5.340 -0.170
110 1HD LYS 14 HD2 LYS 14 0.897 -5.327 1.403
111 2HD LYS 14 HD1 LYS 14 -0.017 -4.155 2.352
112 1HE LYS 14 HE2 LYS 14 -0.964 -6.989 2.449
113 2HE LYS 14 HE1 LYS 14 0.537 -6.603 3.315
114 1HZ LYS 14 HZ1 LYS 14 -1.945 -4.984 3.537
115 2HZ LYS 14 HZ2 LYS 14 -0.539 -4.853 4.482
116 3HZ LYS 14 HZ3 LYS 14 -1.540 -6.217 4.627
117 H GLN 15 HN GLN 15 -1.413 -2.515 -2.162
118 HA GLN 15 HA GLN 15 0.462 -4.387 -3.312
119 1HB GLN 15 HB2 GLN 15 -1.108 -2.097 -4.551
120 2HB GLN 15 HB1 GLN 15 -0.411 -3.456 -5.432
121 1HG GLN 15 HG2 GLN 15 -2.038 -4.424 -3.241
122 2HG GLN 15 HG1 GLN 15 -2.974 -3.326 -4.253
123 1HE2 GLN 15 1HE2 GLN 15 -4.220 -4.837 -5.456
124 2HE2 GLN 15 2HE2 GLN 15 -3.535 -6.034 -6.444
125 H ILE 16 HN ILE 16 0.354 -0.849 -3.105
126 HA ILE 16 HA ILE 16 2.866 -0.388 -4.478
127 HB ILE 16 HB ILE 16 1.104 1.254 -2.632
128 1HG1 ILE 16 2HG1 ILE 16 1.396 2.011 -5.458
129 2HG1 ILE 16 1HG1 ILE 16 0.697 0.408 -5.235
130 1HG2 ILE 16 1HG2 ILE 16 2.454 3.143 -3.947
131 2HG2 ILE 16 2HG2 ILE 16 3.697 1.893 -3.973
132 3HG2 ILE 16 3HG2 ILE 16 3.057 2.468 -2.434
133 1HD1 ILE 16 1HD1 ILE 16 -0.353 3.070 -4.341
134 2HD1 ILE 16 2HD1 ILE 16 -0.773 1.629 -3.417
135 3HD1 ILE 16 3HD1 ILE 16 -1.208 1.740 -5.122
136 H ASN 17 HN ASN 17 1.900 -0.856 -1.119
137 HA ASN 17 HA ASN 17 4.327 -0.019 0.161
138 1HB ASN 17 HB2 ASN 17 1.800 -1.154 0.816
139 2HB ASN 17 HB1 ASN 17 3.028 -2.189 1.540
140 1HD2 ASN 17 1HD2 ASN 17 1.143 -0.083 2.774
141 2HD2 ASN 17 2HD2 ASN 17 2.181 0.924 3.662
142 H ARG 18 HN ARG 18 3.286 -3.187 -1.129
143 HA ARG 18 HA ARG 18 5.425 -4.794 -0.172
144 1HB ARG 18 HB2 ARG 18 3.745 -4.834 -2.697
145 2HB ARG 18 HB1 ARG 18 4.847 -6.144 -2.268
146 1HG ARG 18 HG2 ARG 18 3.163 -5.378 -0.014
147 2HG ARG 18 HG1 ARG 18 2.200 -5.866 -1.409
148 1HD ARG 18 HD2 ARG 18 4.429 -7.684 -1.115
149 2HD ARG 18 HD1 ARG 18 3.534 -7.577 0.414
150 HE ARG 18 HE ARG 18 1.481 -8.160 -0.818
151 1HH1 ARG 18 1HH1 ARG 18 2.477 -7.252 -3.541
152 2HH1 ARG 18 2HH1 ARG 18 2.725 -8.769 -4.339
153 1HH2 ARG 18 1HH2 ARG 18 2.655 -10.624 -1.399
154 2HH2 ARG 18 2HH2 ARG 18 2.824 -10.685 -3.123
155 H GLY 19 HN GLY 19 5.214 -2.745 -3.087
156 1HA GLY 19 HA2 GLY 19 7.934 -3.433 -3.944
157 2HA GLY 19 HA1 GLY 19 6.888 -2.218 -4.684
158 H LEU 20 HN LEU 20 6.286 -0.725 -2.338
159 HA LEU 20 HA LEU 20 8.437 1.130 -2.209
160 1HB LEU 20 HB2 LEU 20 6.173 1.745 -1.662
161 2HB LEU 20 HB1 LEU 20 6.073 0.499 -0.422
162 HG LEU 20 HG LEU 20 7.799 1.682 0.901
163 1HD1 LEU 20 1HD1 LEU 20 8.195 4.131 0.101
164 2HD1 LEU 20 2HD1 LEU 20 7.719 3.522 -1.484
165 3HD1 LEU 20 3HD1 LEU 20 9.122 2.838 -0.662
166 1HD2 LEU 20 1HD2 LEU 20 5.501 3.475 0.050
167 2HD2 LEU 20 2HD2 LEU 20 6.396 3.586 1.567
168 3HD2 LEU 20 3HD2 LEU 20 5.386 2.178 1.239
169 H LYS 21 HN LYS 21 7.472 -1.380 0.151
170 HA LYS 21 HA LYS 21 9.630 -0.891 1.986
171 1HB LYS 21 HB2 LYS 21 8.891 -2.975 2.994
172 2HB LYS 21 HB1 LYS 21 7.468 -2.103 2.430
173 1HG LYS 21 HG2 LYS 21 6.977 -4.157 1.524
174 2HG LYS 21 HG1 LYS 21 7.971 -3.529 0.212
175 1HD LYS 21 HD2 LYS 21 9.571 -5.079 0.566
176 2HD LYS 21 HD1 LYS 21 9.609 -4.735 2.295
177 1HE LYS 21 HE2 LYS 21 7.260 -6.059 2.196
178 2HE LYS 21 HE1 LYS 21 8.074 -6.824 0.816
179 1HZ LYS 21 HZ1 LYS 21 8.623 -7.928 2.922
180 2HZ LYS 21 HZ2 LYS 21 9.262 -6.473 3.523
181 3HZ LYS 21 HZ3 LYS 21 9.996 -7.247 2.198
182 H LYS 22 HN LYS 22 9.433 -2.752 -0.981
183 HA LYS 22 HA LYS 22 11.781 -4.388 -0.583
184 1HB LYS 22 HB2 LYS 22 9.837 -4.578 -2.282
185 2HB LYS 22 HB1 LYS 22 10.708 -3.365 -3.220
186 1HG LYS 22 HG2 LYS 22 12.204 -5.775 -2.243
187 2HG LYS 22 HG1 LYS 22 11.139 -5.945 -3.638
188 1HD LYS 22 HD2 LYS 22 12.661 -3.544 -3.976
189 2HD LYS 22 HD1 LYS 22 13.776 -4.845 -3.564
190 1HE LYS 22 HE2 LYS 22 13.619 -5.600 -5.694
191 2HE LYS 22 HE1 LYS 22 11.895 -5.921 -5.425
192 1HZ LYS 22 HZ1 LYS 22 12.006 -4.343 -7.165
193 2HZ LYS 22 HZ2 LYS 22 13.152 -3.393 -6.345
194 3HZ LYS 22 HZ3 LYS 22 11.546 -3.469 -5.785
195 H ILE 23 HN ILE 23 11.221 -1.180 -1.972
196 HA ILE 23 HA ILE 23 13.922 -0.759 -2.918
197 HB ILE 23 HB ILE 23 11.730 1.207 -2.154
198 1HG1 ILE 23 2HG1 ILE 23 10.876 -0.345 -3.810
199 2HG1 ILE 23 1HG1 ILE 23 11.257 1.165 -4.634
200 1HG2 ILE 23 1HG2 ILE 23 14.196 1.468 -3.903
201 2HG2 ILE 23 2HG2 ILE 23 13.866 2.335 -2.402
202 3HG2 ILE 23 3HG2 ILE 23 12.899 2.662 -3.841
203 1HD1 ILE 23 1HD1 ILE 23 12.137 -0.598 -6.001
204 2HD1 ILE 23 2HD1 ILE 23 12.883 -1.389 -4.612
205 3HD1 ILE 23 3HD1 ILE 23 13.520 0.148 -5.200
206 H VAL 24 HN VAL 24 12.226 -0.089 0.110
207 HA VAL 24 HA VAL 24 14.438 1.401 1.304
208 HB VAL 24 HB VAL 24 11.954 0.069 2.445
209 1HG1 VAL 24 1HG1 VAL 24 13.515 0.387 4.249
210 2HG1 VAL 24 2HG1 VAL 24 12.350 1.706 4.344
211 3HG1 VAL 24 3HG1 VAL 24 13.952 1.993 3.666
212 1HG2 VAL 24 1HG2 VAL 24 12.533 2.964 1.726
213 2HG2 VAL 24 2HG2 VAL 24 11.032 2.357 2.426
214 3HG2 VAL 24 3HG2 VAL 24 11.505 1.870 0.799
215 H LEU 25 HN LEU 25 13.407 -1.939 1.120
216 HA LEU 25 HA LEU 25 15.027 -3.003 3.265
217 1HB LEU 25 HB2 LEU 25 12.981 -3.940 1.921
218 2HB LEU 25 HB1 LEU 25 14.194 -4.483 0.767
219 HG LEU 25 HG LEU 25 13.709 -6.275 2.330
220 1HD1 LEU 25 1HD1 LEU 25 15.918 -6.833 2.965
221 2HD1 LEU 25 2HD1 LEU 25 16.362 -5.144 3.209
222 3HD1 LEU 25 3HD1 LEU 25 16.117 -5.764 1.576
223 1HD2 LEU 25 1HD2 LEU 25 14.673 -4.478 4.564
224 2HD2 LEU 25 2HD2 LEU 25 13.893 -6.054 4.701
225 3HD2 LEU 25 3HD2 LEU 25 12.964 -4.655 4.164
226 H GLY 26 HN GLY 26 15.456 -3.373 -0.287
227 1HA GLY 26 HA2 GLY 26 18.393 -3.035 0.095
228 2HA GLY 26 HA1 GLY 26 17.805 -4.488 -0.710
229 H TRP 27 HN TRP 27 16.794 -1.063 -0.975
230 HA TRP 27 HA TRP 27 16.574 0.331 -2.859
231 1HB TRP 27 HB2 TRP 27 18.986 -1.391 -3.405
232 2HB TRP 27 HB1 TRP 27 18.461 -0.207 -4.599
233 HD1 TRP 27 HD1 TRP 27 20.181 -0.530 -1.276
234 HE1 TRP 27 HE1 TRP 27 20.917 1.798 -0.454
235 HE3 TRP 27 HE3 TRP 27 17.740 2.414 -4.659
236 HZ2 TRP 27 HZ2 TRP 27 20.524 4.549 -1.140
237 HZ3 TRP 27 HZ3 TRP 27 17.937 4.881 -4.552
238 HH2 TRP 27 HH2 TRP 27 19.325 5.951 -2.799
239 H ALA 28 HN ALA 28 16.808 -0.125 -5.584
240 HA ALA 28 HA ALA 28 14.386 -1.577 -6.196
241 1HB ALA 28 HB1 ALA 28 15.043 -1.000 -8.523
242 2HB ALA 28 HB2 ALA 28 16.639 -0.526 -7.940
243 3HB ALA 28 HB3 ALA 28 15.212 0.382 -7.441
Start of MODEL 16
1 1H SER 1 HT1 SER 1 -16.960 9.652 5.635
2 2H SER 1 HT2 SER 1 -16.103 9.887 4.188
3 3H SER 1 HT3 SER 1 -16.331 11.182 5.263
4 HA SER 1 HA SER 1 -14.064 10.327 5.429
5 1HB SER 1 HB2 SER 1 -15.927 9.790 7.768
6 2HB SER 1 HB1 SER 1 -14.187 10.032 7.900
7 HG SER 1 HG SER 1 -15.062 12.013 8.216
8 H GLY 2 HN GLY 2 -16.246 7.915 6.977
9 1HA GLY 2 HA2 GLY 2 -14.295 5.791 6.676
10 2HA GLY 2 HA1 GLY 2 -15.963 5.591 7.218
11 H ASN 3 HN ASN 3 -17.655 5.733 5.454
12 HA ASN 3 HA ASN 3 -18.539 4.889 3.436
13 1HB ASN 3 HB2 ASN 3 -16.842 6.883 2.883
14 2HB ASN 3 HB1 ASN 3 -15.951 5.584 2.093
15 1HD2 ASN 3 1HD2 ASN 3 -16.422 6.248 -0.093
16 2HD2 ASN 3 2HD2 ASN 3 -17.992 6.207 -0.739
17 H TYR 4 HN TYR 4 -17.047 3.673 1.249
18 HA TYR 4 HA TYR 4 -16.089 1.176 2.603
19 1HB TYR 4 HB2 TYR 4 -17.128 -0.034 0.787
20 2HB TYR 4 HB1 TYR 4 -18.304 1.137 1.375
21 HD1 TYR 4 HD1 TYR 4 -18.837 3.163 0.061
22 HD2 TYR 4 HD2 TYR 4 -16.094 0.196 -1.400
23 HE1 TYR 4 HE1 TYR 4 -18.986 4.143 -2.212
24 HE2 TYR 4 HE2 TYR 4 -16.243 1.177 -3.671
25 HH TYR 4 HH TYR 4 -18.327 2.749 -4.862
26 H VAL 5 HN VAL 5 -15.523 3.423 -0.109
27 HA VAL 5 HA VAL 5 -13.346 1.960 -1.303
28 HB VAL 5 HB VAL 5 -14.779 3.808 -2.298
29 1HG1 VAL 5 1HG1 VAL 5 -14.278 6.097 -1.836
30 2HG1 VAL 5 2HG1 VAL 5 -12.852 5.669 -0.892
31 3HG1 VAL 5 3HG1 VAL 5 -14.461 5.323 -0.262
32 1HG2 VAL 5 1HG2 VAL 5 -11.804 3.623 -2.466
33 2HG2 VAL 5 2HG2 VAL 5 -12.579 4.983 -3.277
34 3HG2 VAL 5 3HG2 VAL 5 -13.021 3.331 -3.708
35 H LEU 6 HN LEU 6 -13.443 4.436 1.275
36 HA LEU 6 HA LEU 6 -10.636 4.940 1.480
37 1HB LEU 6 HB2 LEU 6 -12.959 5.769 2.713
38 2HB LEU 6 HB1 LEU 6 -12.210 4.815 3.990
39 HG LEU 6 HG LEU 6 -11.481 7.134 4.181
40 1HD1 LEU 6 1HD1 LEU 6 -9.129 6.777 4.279
41 2HD1 LEU 6 2HD1 LEU 6 -9.178 5.592 2.973
42 3HD1 LEU 6 3HD1 LEU 6 -9.855 5.193 4.552
43 1HD2 LEU 6 1HD2 LEU 6 -10.402 6.816 1.362
44 2HD2 LEU 6 2HD2 LEU 6 -10.275 8.254 2.375
45 3HD2 LEU 6 3HD2 LEU 6 -11.851 7.728 1.784
46 H ASP 7 HN ASP 7 -12.689 2.428 2.953
47 HA ASP 7 HA ASP 7 -10.596 1.197 4.523
48 1HB ASP 7 HB2 ASP 7 -13.369 0.968 4.117
49 2HB ASP 7 HB1 ASP 7 -12.717 -0.580 3.584
50 H LEU 8 HN LEU 8 -11.925 0.637 1.264
51 HA LEU 8 HA LEU 8 -10.385 -1.695 0.612
52 1HB LEU 8 HB2 LEU 8 -12.252 0.122 -0.588
53 2HB LEU 8 HB1 LEU 8 -10.914 -0.126 -1.708
54 HG LEU 8 HG LEU 8 -11.375 -2.673 -0.718
55 1HD1 LEU 8 1HD1 LEU 8 -13.466 -1.876 0.342
56 2HD1 LEU 8 2HD1 LEU 8 -13.804 -3.024 -0.953
57 3HD1 LEU 8 3HD1 LEU 8 -14.035 -1.298 -1.224
58 1HD2 LEU 8 1HD2 LEU 8 -12.645 -1.471 -3.199
59 2HD2 LEU 8 2HD2 LEU 8 -12.166 -3.150 -2.956
60 3HD2 LEU 8 3HD2 LEU 8 -10.936 -1.894 -3.083
61 H ILE 9 HN ILE 9 -9.608 1.762 0.473
62 HA ILE 9 HA ILE 9 -7.381 1.790 -1.255
63 HB ILE 9 HB ILE 9 -8.033 3.239 1.325
64 1HG1 ILE 9 2HG1 ILE 9 -7.932 4.249 -1.530
65 2HG1 ILE 9 1HG1 ILE 9 -9.390 3.577 -0.807
66 1HG2 ILE 9 1HG2 ILE 9 -6.247 4.890 0.552
67 2HG2 ILE 9 2HG2 ILE 9 -5.675 3.626 -0.536
68 3HG2 ILE 9 3HG2 ILE 9 -5.642 3.370 1.209
69 1HD1 ILE 9 1HD1 ILE 9 -8.782 5.317 1.127
70 2HD1 ILE 9 2HD1 ILE 9 -9.715 5.802 -0.289
71 3HD1 ILE 9 3HD1 ILE 9 -7.987 6.145 -0.212
72 H TYR 10 HN TYR 10 -7.674 0.488 1.999
73 HA TYR 10 HA TYR 10 -4.952 0.203 2.740
74 1HB TYR 10 HB2 TYR 10 -5.951 -0.883 4.482
75 2HB TYR 10 HB1 TYR 10 -7.477 -0.551 3.678
76 HD1 TYR 10 HD1 TYR 10 -4.731 -3.060 3.953
77 HD2 TYR 10 HD2 TYR 10 -8.796 -2.329 2.777
78 HE1 TYR 10 HE1 TYR 10 -5.075 -5.492 3.618
79 HE2 TYR 10 HE2 TYR 10 -9.139 -4.757 2.445
80 HH TYR 10 HH TYR 10 -6.999 -6.855 1.939
81 H SER 11 HN SER 11 -7.006 -2.024 0.808
82 HA SER 11 HA SER 11 -4.931 -3.967 0.284
83 1HB SER 11 HB2 SER 11 -7.502 -4.135 0.097
84 2HB SER 11 HB1 SER 11 -7.332 -3.316 -1.452
85 HG SER 11 HG SER 11 -6.020 -5.016 -2.148
86 H LEU 12 HN LEU 12 -6.147 -1.112 -1.453
87 HA LEU 12 HA LEU 12 -4.575 -1.335 -3.826
88 1HB LEU 12 HB2 LEU 12 -6.400 0.177 -3.797
89 2HB LEU 12 HB1 LEU 12 -5.904 0.877 -2.260
90 HG LEU 12 HG LEU 12 -3.911 1.861 -3.383
91 1HD1 LEU 12 1HD1 LEU 12 -3.478 0.478 -5.239
92 2HD1 LEU 12 2HD1 LEU 12 -4.167 1.923 -5.978
93 3HD1 LEU 12 3HD1 LEU 12 -5.164 0.486 -5.755
94 1HD2 LEU 12 1HD2 LEU 12 -6.306 2.926 -3.228
95 2HD2 LEU 12 2HD2 LEU 12 -6.328 2.680 -4.974
96 3HD2 LEU 12 3HD2 LEU 12 -5.085 3.693 -4.243
97 H HIS 13 HN HIS 13 -3.939 0.197 -0.685
98 HA HIS 13 HA HIS 13 -1.351 1.278 -1.401
99 1HB HIS 13 HB2 HIS 13 -3.121 1.698 0.584
100 2HB HIS 13 HB1 HIS 13 -2.029 0.594 1.423
101 HD1 HIS 13 HD1 HIS 13 0.458 1.370 1.729
102 HD2 HIS 13 HD2 HIS 13 -2.010 4.237 -0.023
103 HE1 HIS 13 HE1 HIS 13 1.738 3.553 1.793
104 H LYS 14 HN LYS 14 -2.434 -1.800 0.032
105 HA LYS 14 HA LYS 14 0.102 -2.803 0.883
106 1HB LYS 14 HB2 LYS 14 -2.604 -3.756 0.358
107 2HB LYS 14 HB1 LYS 14 -1.404 -4.963 -0.104
108 1HG LYS 14 HG2 LYS 14 -1.799 -5.422 2.177
109 2HG LYS 14 HG1 LYS 14 -0.318 -4.465 2.197
110 1HD LYS 14 HD2 LYS 14 -1.545 -2.456 2.762
111 2HD LYS 14 HD1 LYS 14 -3.085 -3.287 2.552
112 1HE LYS 14 HE2 LYS 14 -2.714 -3.267 4.917
113 2HE LYS 14 HE1 LYS 14 -2.260 -4.904 4.404
114 1HZ LYS 14 HZ1 LYS 14 -0.237 -2.765 4.325
115 2HZ LYS 14 HZ2 LYS 14 -0.031 -4.439 4.541
116 3HZ LYS 14 HZ3 LYS 14 -0.610 -3.480 5.817
117 H GLN 15 HN GLN 15 -1.430 -2.644 -2.278
118 HA GLN 15 HA GLN 15 0.434 -4.353 -3.692
119 1HB GLN 15 HB2 GLN 15 -1.937 -3.555 -4.327
120 2HB GLN 15 HB1 GLN 15 -1.173 -2.037 -4.803
121 1HG GLN 15 HG2 GLN 15 0.271 -3.235 -6.383
122 2HG GLN 15 HG1 GLN 15 -0.433 -4.773 -5.885
123 1HE2 GLN 15 1HE2 GLN 15 -0.883 -2.003 -7.948
124 2HE2 GLN 15 2HE2 GLN 15 -2.396 -2.456 -8.569
125 H ILE 16 HN ILE 16 0.394 -0.996 -2.725
126 HA ILE 16 HA ILE 16 2.724 -0.256 -4.381
127 HB ILE 16 HB ILE 16 1.040 1.158 -2.282
128 1HG1 ILE 16 2HG1 ILE 16 1.138 1.863 -5.200
129 2HG1 ILE 16 1HG1 ILE 16 0.175 0.477 -4.690
130 1HG2 ILE 16 1HG2 ILE 16 3.108 2.299 -2.218
131 2HG2 ILE 16 2HG2 ILE 16 2.148 3.229 -3.367
132 3HG2 ILE 16 3HG2 ILE 16 3.372 2.100 -3.951
133 1HD1 ILE 16 1HD1 ILE 16 -0.590 2.311 -2.832
134 2HD1 ILE 16 2HD1 ILE 16 -1.442 2.053 -4.355
135 3HD1 ILE 16 3HD1 ILE 16 -0.271 3.365 -4.210
136 H ASN 17 HN ASN 17 1.889 -0.966 -1.028
137 HA ASN 17 HA ASN 17 4.380 -0.243 0.206
138 1HB ASN 17 HB2 ASN 17 1.846 -1.484 0.854
139 2HB ASN 17 HB1 ASN 17 3.161 -2.362 1.632
140 1HD2 ASN 17 1HD2 ASN 17 4.597 -1.104 3.104
141 2HD2 ASN 17 2HD2 ASN 17 4.047 0.351 3.784
142 H ARG 18 HN ARG 18 3.218 -3.329 -1.209
143 HA ARG 18 HA ARG 18 5.328 -5.020 -0.346
144 1HB ARG 18 HB2 ARG 18 4.532 -6.483 -2.060
145 2HB ARG 18 HB1 ARG 18 3.126 -5.532 -1.582
146 1HG ARG 18 HG2 ARG 18 3.609 -3.971 -3.482
147 2HG ARG 18 HG1 ARG 18 4.893 -5.064 -3.997
148 1HD ARG 18 HD2 ARG 18 2.907 -6.864 -3.825
149 2HD ARG 18 HD1 ARG 18 1.936 -5.417 -4.167
150 HE ARG 18 HE ARG 18 3.752 -6.695 -6.032
151 1HH1 ARG 18 1HH2 ARG 18 5.048 -4.047 -5.757
152 2HH1 ARG 18 2HH2 ARG 18 4.181 -3.070 -6.892
153 1HH2 ARG 18 1HH1 ARG 18 1.522 -5.293 -7.173
154 2HH2 ARG 18 2HH1 ARG 18 2.179 -3.780 -7.701
155 H GLY 19 HN GLY 19 5.202 -2.743 -3.083
156 1HA GLY 19 HA2 GLY 19 7.896 -3.515 -3.997
157 2HA GLY 19 HA1 GLY 19 6.882 -2.254 -4.704
158 H LEU 20 HN LEU 20 6.291 -0.806 -2.339
159 HA LEU 20 HA LEU 20 8.486 0.983 -2.121
160 1HB LEU 20 HB2 LEU 20 6.200 1.597 -1.584
161 2HB LEU 20 HB1 LEU 20 6.122 0.366 -0.326
162 HG LEU 20 HG LEU 20 7.857 1.551 0.959
163 1HD1 LEU 20 1HD1 LEU 20 9.247 2.731 -0.450
164 2HD1 LEU 20 2HD1 LEU 20 8.154 4.041 -0.008
165 3HD1 LEU 20 3HD1 LEU 20 7.933 3.188 -1.535
166 1HD2 LEU 20 1HD2 LEU 20 5.616 3.402 0.084
167 2HD2 LEU 20 2HD2 LEU 20 6.504 3.486 1.605
168 3HD2 LEU 20 3HD2 LEU 20 5.450 2.112 1.277
169 H LYS 21 HN LYS 21 7.536 -1.766 -0.090
170 HA LYS 21 HA LYS 21 9.410 -1.438 2.032
171 1HB LYS 21 HB2 LYS 21 7.572 -3.419 0.972
172 2HB LYS 21 HB1 LYS 21 9.046 -4.195 1.548
173 1HG LYS 21 HG2 LYS 21 8.511 -2.338 3.533
174 2HG LYS 21 HG1 LYS 21 6.904 -2.906 3.075
175 1HD LYS 21 HD2 LYS 21 7.487 -5.188 3.497
176 2HD LYS 21 HD1 LYS 21 9.200 -4.791 3.643
177 1HE LYS 21 HE2 LYS 21 8.461 -3.254 5.614
178 2HE LYS 21 HE1 LYS 21 6.967 -4.211 5.592
179 1HZ LYS 21 HZ1 LYS 21 9.726 -5.319 5.736
180 2HZ LYS 21 HZ2 LYS 21 8.291 -6.230 5.706
181 3HZ LYS 21 HZ3 LYS 21 8.638 -5.228 7.033
182 H LYS 22 HN LYS 22 9.674 -3.289 -1.002
183 HA LYS 22 HA LYS 22 12.313 -4.304 -0.630
184 1HB LYS 22 HB2 LYS 22 10.684 -5.050 -2.342
185 2HB LYS 22 HB1 LYS 22 10.840 -3.496 -3.162
186 1HG LYS 22 HG2 LYS 22 13.365 -4.982 -2.620
187 2HG LYS 22 HG1 LYS 22 12.304 -5.648 -3.861
188 1HD LYS 22 HD2 LYS 22 12.484 -2.785 -4.180
189 2HD LYS 22 HD1 LYS 22 14.105 -3.478 -4.127
190 1HE LYS 22 HE2 LYS 22 13.785 -4.725 -6.062
191 2HE LYS 22 HE1 LYS 22 12.032 -4.849 -5.815
192 1HZ LYS 22 HZ1 LYS 22 13.511 -2.359 -6.498
193 2HZ LYS 22 HZ2 LYS 22 11.834 -2.476 -6.244
194 3HZ LYS 22 HZ3 LYS 22 12.552 -3.257 -7.569
195 H ILE 23 HN ILE 23 11.176 -1.175 -1.858
196 HA ILE 23 HA ILE 23 13.728 -0.255 -2.843
197 HB ILE 23 HB ILE 23 11.266 1.217 -1.842
198 1HG1 ILE 23 2HG1 ILE 23 10.785 -0.270 -3.730
199 2HG1 ILE 23 1HG1 ILE 23 10.752 1.405 -4.276
200 1HG2 ILE 23 1HG2 ILE 23 12.119 3.121 -3.165
201 2HG2 ILE 23 2HG2 ILE 23 13.575 2.203 -3.549
202 3HG2 ILE 23 3HG2 ILE 23 13.249 2.683 -1.884
203 1HD1 ILE 23 1HD1 ILE 23 13.139 1.131 -5.030
204 2HD1 ILE 23 2HD1 ILE 23 11.996 0.111 -5.902
205 3HD1 ILE 23 3HD1 ILE 23 13.011 -0.584 -4.640
206 H VAL 24 HN VAL 24 12.030 0.168 0.255
207 HA VAL 24 HA VAL 24 14.137 1.732 1.502
208 HB VAL 24 HB VAL 24 11.829 0.082 2.599
209 1HG1 VAL 24 1HG1 VAL 24 13.484 2.230 3.964
210 2HG1 VAL 24 2HG1 VAL 24 13.595 0.501 4.299
211 3HG1 VAL 24 3HG1 VAL 24 12.108 1.377 4.663
212 1HG2 VAL 24 1HG2 VAL 24 10.659 2.220 2.736
213 2HG2 VAL 24 2HG2 VAL 24 11.222 1.981 1.082
214 3HG2 VAL 24 3HG2 VAL 24 12.090 3.075 2.160
215 H LEU 25 HN LEU 25 13.292 -1.690 1.351
216 HA LEU 25 HA LEU 25 15.247 -2.642 3.261
217 1HB LEU 25 HB2 LEU 25 13.268 -3.917 2.669
218 2HB LEU 25 HB1 LEU 25 13.705 -3.894 0.963
219 HG LEU 25 HG LEU 25 15.740 -5.215 1.485
220 1HD1 LEU 25 1HD1 LEU 25 15.812 -6.298 3.772
221 2HD1 LEU 25 2HD1 LEU 25 14.560 -5.164 4.278
222 3HD1 LEU 25 3HD1 LEU 25 16.142 -4.566 3.777
223 1HD2 LEU 25 1HD2 LEU 25 13.161 -6.436 2.520
224 2HD2 LEU 25 2HD2 LEU 25 14.572 -7.335 1.963
225 3HD2 LEU 25 3HD2 LEU 25 13.647 -6.355 0.826
226 H GLY 26 HN GLY 26 15.242 -2.216 -0.284
227 1HA GLY 26 HA2 GLY 26 18.036 -1.766 -0.496
228 2HA GLY 26 HA1 GLY 26 17.747 -3.476 -0.817
229 H TRP 27 HN TRP 27 17.266 -0.220 -2.011
230 HA TRP 27 HA TRP 27 15.884 -1.261 -4.443
231 1HB TRP 27 HB2 TRP 27 15.082 0.927 -4.696
232 2HB TRP 27 HB1 TRP 27 15.198 0.786 -2.946
233 HD1 TRP 27 HD1 TRP 27 17.445 1.880 -1.802
234 HE1 TRP 27 HE1 TRP 27 18.792 3.959 -2.516
235 HE3 TRP 27 HE3 TRP 27 15.847 2.354 -6.629
236 HZ2 TRP 27 HZ2 TRP 27 19.145 5.605 -4.828
237 HZ3 TRP 27 HZ3 TRP 27 16.703 4.186 -8.063
238 HH2 TRP 27 HH2 TRP 27 18.348 5.810 -7.168
239 H ALA 28 HN ALA 28 16.696 -0.553 -6.573
240 HA ALA 28 HA ALA 28 18.411 -0.392 -8.181
241 1HB ALA 28 HB1 ALA 28 18.487 1.875 -7.312
242 2HB ALA 28 HB2 ALA 28 20.146 1.334 -7.560
243 3HB ALA 28 HB3 ALA 28 19.463 1.361 -5.935
Start of MODEL 17
1 1H SER 1 HT1 SER 1 -11.495 4.095 7.506
2 2H SER 1 HT2 SER 1 -12.395 2.854 6.769
3 3H SER 1 HT3 SER 1 -11.815 2.661 8.355
4 HA SER 1 HA SER 1 -14.243 3.201 8.212
5 1HB SER 1 HB2 SER 1 -13.912 5.023 9.999
6 2HB SER 1 HB1 SER 1 -13.065 3.504 10.267
7 HG SER 1 HG SER 1 -11.809 5.512 10.497
8 H GLY 2 HN GLY 2 -15.805 4.833 7.720
9 1HA GLY 2 HA2 GLY 2 -16.243 7.208 7.062
10 2HA GLY 2 HA1 GLY 2 -14.787 7.118 6.072
11 H ASN 3 HN ASN 3 -14.938 4.983 4.556
12 HA ASN 3 HA ASN 3 -17.687 4.674 3.460
13 1HB ASN 3 HB2 ASN 3 -15.485 6.269 2.334
14 2HB ASN 3 HB1 ASN 3 -16.173 5.120 1.190
15 1HD2 ASN 3 1HD2 ASN 3 -16.617 8.227 2.502
16 2HD2 ASN 3 2HD2 ASN 3 -18.235 8.453 2.046
17 H TYR 4 HN TYR 4 -17.743 2.929 1.792
18 HA TYR 4 HA TYR 4 -16.334 0.564 2.588
19 1HB TYR 4 HB2 TYR 4 -18.570 0.953 1.305
20 2HB TYR 4 HB1 TYR 4 -17.557 1.034 -0.136
21 HD1 TYR 4 HD1 TYR 4 -18.611 -1.122 2.695
22 HD2 TYR 4 HD2 TYR 4 -16.521 -0.928 -1.053
23 HE1 TYR 4 HE1 TYR 4 -18.513 -3.599 2.620
24 HE2 TYR 4 HE2 TYR 4 -16.425 -3.404 -1.128
25 HH TYR 4 HH TYR 4 -16.576 -5.315 1.089
26 H VAL 5 HN VAL 5 -15.920 2.630 -0.328
27 HA VAL 5 HA VAL 5 -13.674 1.219 -1.409
28 HB VAL 5 HB VAL 5 -13.340 3.323 -2.696
29 1HG1 VAL 5 1HG1 VAL 5 -16.259 3.298 -2.722
30 2HG1 VAL 5 2HG1 VAL 5 -15.582 1.670 -2.695
31 3HG1 VAL 5 3HG1 VAL 5 -15.122 2.795 -3.972
32 1HG2 VAL 5 1HG2 VAL 5 -13.708 4.997 -0.991
33 2HG2 VAL 5 2HG2 VAL 5 -15.351 4.424 -0.708
34 3HG2 VAL 5 3HG2 VAL 5 -14.945 5.221 -2.227
35 H LEU 6 HN LEU 6 -13.863 3.907 0.938
36 HA LEU 6 HA LEU 6 -11.078 4.508 1.140
37 1HB LEU 6 HB2 LEU 6 -13.198 5.650 2.119
38 2HB LEU 6 HB1 LEU 6 -13.053 4.487 3.437
39 HG LEU 6 HG LEU 6 -10.593 5.991 2.665
40 1HD1 LEU 6 1HD1 LEU 6 -12.090 7.844 2.680
41 2HD1 LEU 6 2HD1 LEU 6 -11.375 7.820 4.292
42 3HD1 LEU 6 3HD1 LEU 6 -13.004 7.191 4.041
43 1HD2 LEU 6 1HD2 LEU 6 -11.829 4.736 5.090
44 2HD2 LEU 6 2HD2 LEU 6 -10.657 6.033 5.324
45 3HD2 LEU 6 3HD2 LEU 6 -10.192 4.569 4.458
46 H ASP 7 HN ASP 7 -13.110 2.109 2.808
47 HA ASP 7 HA ASP 7 -11.055 1.026 4.521
48 1HB ASP 7 HB2 ASP 7 -13.818 0.455 3.635
49 2HB ASP 7 HB1 ASP 7 -12.901 -0.978 4.090
50 H LEU 8 HN LEU 8 -12.152 0.316 1.225
51 HA LEU 8 HA LEU 8 -10.540 -2.092 0.893
52 1HB LEU 8 HB2 LEU 8 -12.567 -0.583 -0.478
53 2HB LEU 8 HB1 LEU 8 -11.238 -0.890 -1.594
54 HG LEU 8 HG LEU 8 -11.484 -3.309 -0.286
55 1HD1 LEU 8 1HD1 LEU 8 -14.266 -2.219 -0.818
56 2HD1 LEU 8 2HD1 LEU 8 -13.582 -2.502 0.781
57 3HD1 LEU 8 3HD1 LEU 8 -13.874 -3.860 -0.306
58 1HD2 LEU 8 1HD2 LEU 8 -12.752 -3.956 -2.441
59 2HD2 LEU 8 2HD2 LEU 8 -11.161 -3.222 -2.641
60 3HD2 LEU 8 3HD2 LEU 8 -12.616 -2.255 -2.887
61 H ILE 9 HN ILE 9 -10.080 1.369 0.239
62 HA ILE 9 HA ILE 9 -7.889 1.359 -1.527
63 HB ILE 9 HB ILE 9 -8.718 3.069 0.820
64 1HG1 ILE 9 2HG1 ILE 9 -9.940 3.023 -1.425
65 2HG1 ILE 9 1HG1 ILE 9 -9.410 4.609 -0.871
66 1HG2 ILE 9 1HG2 ILE 9 -6.376 3.433 0.875
67 2HG2 ILE 9 2HG2 ILE 9 -7.003 4.752 -0.113
68 3HG2 ILE 9 3HG2 ILE 9 -6.239 3.360 -0.882
69 1HD1 ILE 9 1HD1 ILE 9 -7.722 4.753 -2.463
70 2HD1 ILE 9 2HD1 ILE 9 -8.933 3.835 -3.356
71 3HD1 ILE 9 3HD1 ILE 9 -7.570 3.003 -2.611
72 H TYR 10 HN TYR 10 -8.001 0.429 1.852
73 HA TYR 10 HA TYR 10 -5.254 0.520 2.560
74 1HB TYR 10 HB2 TYR 10 -6.122 -0.431 4.442
75 2HB TYR 10 HB1 TYR 10 -7.681 -0.324 3.642
76 HD1 TYR 10 HD1 TYR 10 -8.665 -2.313 2.519
77 HD2 TYR 10 HD2 TYR 10 -4.941 -2.545 4.648
78 HE1 TYR 10 HE1 TYR 10 -8.833 -4.783 2.540
79 HE2 TYR 10 HE2 TYR 10 -5.108 -5.018 4.664
80 HH TYR 10 HH TYR 10 -7.483 -6.703 4.441
81 H SER 11 HN SER 11 -7.090 -1.957 0.770
82 HA SER 11 HA SER 11 -4.831 -3.797 0.513
83 1HB SER 11 HB2 SER 11 -7.325 -4.334 0.485
84 2HB SER 11 HB1 SER 11 -7.381 -3.623 -1.124
85 HG SER 11 HG SER 11 -6.668 -5.470 -1.817
86 H LEU 12 HN LEU 12 -6.110 -1.062 -1.266
87 HA LEU 12 HA LEU 12 -4.608 -1.604 -3.723
88 1HB LEU 12 HB2 LEU 12 -6.581 0.311 -2.651
89 2HB LEU 12 HB1 LEU 12 -5.425 1.037 -3.762
90 HG LEU 12 HG LEU 12 -7.147 -1.398 -4.319
91 1HD1 LEU 12 1HD1 LEU 12 -8.258 0.887 -4.305
92 2HD1 LEU 12 2HD1 LEU 12 -8.357 0.017 -5.835
93 3HD1 LEU 12 3HD1 LEU 12 -7.193 1.327 -5.641
94 1HD2 LEU 12 1HD2 LEU 12 -6.221 -0.975 -6.690
95 2HD2 LEU 12 2HD2 LEU 12 -5.120 -1.715 -5.529
96 3HD2 LEU 12 3HD2 LEU 12 -4.982 0.003 -5.903
97 H HIS 13 HN HIS 13 -4.176 0.215 -0.752
98 HA HIS 13 HA HIS 13 -1.874 1.750 -1.721
99 1HB HIS 13 HB2 HIS 13 -3.699 2.221 0.149
100 2HB HIS 13 HB1 HIS 13 -2.564 1.338 1.171
101 HD1 HIS 13 HD1 HIS 13 -2.954 4.533 -0.740
102 HD2 HIS 13 HD2 HIS 13 -0.035 2.627 1.545
103 HE1 HIS 13 HE1 HIS 13 -1.145 6.253 -0.309
104 H LYS 14 HN LYS 14 -2.395 -1.131 0.340
105 HA LYS 14 HA LYS 14 0.251 -1.497 1.272
106 1HB LYS 14 HB2 LYS 14 -0.449 -3.834 1.585
107 2HB LYS 14 HB1 LYS 14 -1.766 -2.744 2.009
108 1HG LYS 14 HG2 LYS 14 -3.012 -4.047 0.629
109 2HG LYS 14 HG1 LYS 14 -2.230 -3.146 -0.665
110 1HD LYS 14 HD2 LYS 14 -1.139 -4.984 -1.371
111 2HD LYS 14 HD1 LYS 14 -0.503 -5.281 0.246
112 1HE LYS 14 HE2 LYS 14 -3.198 -5.991 0.464
113 2HE LYS 14 HE1 LYS 14 -2.715 -6.608 -1.128
114 1HZ LYS 14 HZ1 LYS 14 -2.153 -8.191 0.624
115 2HZ LYS 14 HZ2 LYS 14 -1.217 -7.012 1.413
116 3HZ LYS 14 HZ3 LYS 14 -0.750 -7.591 -0.115
117 H GLN 15 HN GLN 15 -1.102 -2.117 -1.914
118 HA GLN 15 HA GLN 15 0.956 -3.845 -2.938
119 1HB GLN 15 HB2 GLN 15 -1.331 -3.341 -3.909
120 2HB GLN 15 HB1 GLN 15 -0.708 -1.767 -4.399
121 1HG GLN 15 HG2 GLN 15 0.008 -2.747 -6.299
122 2HG GLN 15 HG1 GLN 15 1.209 -3.588 -5.321
123 1HE2 GLN 15 1HE2 GLN 15 1.101 -5.597 -6.516
124 2HE2 GLN 15 2HE2 GLN 15 -0.279 -6.584 -6.501
125 H ILE 16 HN ILE 16 0.585 -0.309 -2.889
126 HA ILE 16 HA ILE 16 3.010 0.311 -4.328
127 HB ILE 16 HB ILE 16 1.223 1.805 -2.384
128 1HG1 ILE 16 2HG1 ILE 16 1.398 2.799 -5.109
129 2HG1 ILE 16 1HG1 ILE 16 0.960 1.092 -5.095
130 1HG2 ILE 16 1HG2 ILE 16 3.191 3.038 -2.145
131 2HG2 ILE 16 2HG2 ILE 16 2.447 3.835 -3.531
132 3HG2 ILE 16 3HG2 ILE 16 3.743 2.667 -3.778
133 1HD1 ILE 16 1HD1 ILE 16 -1.093 2.329 -4.950
134 2HD1 ILE 16 2HD1 ILE 16 -0.449 3.361 -3.674
135 3HD1 ILE 16 3HD1 ILE 16 -0.787 1.663 -3.347
136 H ASN 17 HN ASN 17 2.204 -0.073 -0.903
137 HA ASN 17 HA ASN 17 4.782 0.677 0.170
138 1HB ASN 17 HB2 ASN 17 2.255 0.128 1.109
139 2HB ASN 17 HB1 ASN 17 3.138 -1.309 1.621
140 1HD2 ASN 17 1HD2 ASN 17 2.361 1.811 2.610
141 2HD2 ASN 17 2HD2 ASN 17 3.631 2.059 3.708
142 H ARG 18 HN ARG 18 3.296 -2.445 -0.714
143 HA ARG 18 HA ARG 18 5.247 -4.261 0.185
144 1HB ARG 18 HB2 ARG 18 2.971 -4.628 -0.935
145 2HB ARG 18 HB1 ARG 18 3.802 -4.406 -2.475
146 1HG ARG 18 HG2 ARG 18 5.313 -6.269 -1.949
147 2HG ARG 18 HG1 ARG 18 4.529 -6.477 -0.382
148 1HD ARG 18 HD2 ARG 18 2.338 -6.809 -1.692
149 2HD ARG 18 HD1 ARG 18 3.364 -6.990 -3.130
150 HE ARG 18 HE ARG 18 3.507 -8.749 -0.714
151 1HH1 ARG 18 1HH2 ARG 18 6.095 -8.617 -2.157
152 2HH1 ARG 18 2HH2 ARG 18 5.952 -9.888 -3.322
153 1HH2 ARG 18 1HH1 ARG 18 2.497 -10.135 -3.015
154 2HH2 ARG 18 2HH1 ARG 18 3.907 -10.752 -3.809
155 H GLY 19 HN GLY 19 5.213 -2.386 -2.862
156 1HA GLY 19 HA2 GLY 19 7.783 -3.519 -3.722
157 2HA GLY 19 HA1 GLY 19 6.875 -2.253 -4.556
158 H LEU 20 HN LEU 20 6.566 -0.525 -2.272
159 HA LEU 20 HA LEU 20 8.929 1.060 -2.420
160 1HB LEU 20 HB2 LEU 20 6.763 1.976 -1.855
161 2HB LEU 20 HB1 LEU 20 6.619 0.906 -0.463
162 HG LEU 20 HG LEU 20 8.518 2.032 0.621
163 1HD1 LEU 20 1HD1 LEU 20 9.866 2.725 -1.221
164 2HD1 LEU 20 2HD1 LEU 20 9.289 4.217 -0.480
165 3HD1 LEU 20 3HD1 LEU 20 8.535 3.616 -1.957
166 1HD2 LEU 20 1HD2 LEU 20 7.432 4.274 0.931
167 2HD2 LEU 20 2HD2 LEU 20 6.300 2.931 1.070
168 3HD2 LEU 20 3HD2 LEU 20 6.351 3.892 -0.408
169 H LYS 21 HN LYS 21 7.789 -1.139 0.157
170 HA LYS 21 HA LYS 21 10.081 -0.747 1.869
171 1HB LYS 21 HB2 LYS 21 9.136 -2.658 3.083
172 2HB LYS 21 HB1 LYS 21 7.841 -1.575 2.581
173 1HG LYS 21 HG2 LYS 21 6.861 -3.402 1.681
174 2HG LYS 21 HG1 LYS 21 8.088 -3.298 0.421
175 1HD LYS 21 HD2 LYS 21 8.370 -5.491 1.166
176 2HD LYS 21 HD1 LYS 21 9.568 -4.631 2.133
177 1HE LYS 21 HE2 LYS 21 8.317 -4.804 4.090
178 2HE LYS 21 HE1 LYS 21 6.775 -4.899 3.216
179 1HZ LYS 21 HZ1 LYS 21 7.511 -7.059 2.320
180 2HZ LYS 21 HZ2 LYS 21 7.358 -7.080 4.010
181 3HZ LYS 21 HZ3 LYS 21 8.897 -6.983 3.296
182 H LYS 22 HN LYS 22 9.486 -2.819 -0.892
183 HA LYS 22 HA LYS 22 11.631 -4.712 -0.412
184 1HB LYS 22 HB2 LYS 22 9.731 -5.180 -1.886
185 2HB LYS 22 HB1 LYS 22 10.145 -3.802 -2.902
186 1HG LYS 22 HG2 LYS 22 12.342 -5.740 -2.503
187 2HG LYS 22 HG1 LYS 22 10.957 -6.369 -3.395
188 1HD LYS 22 HD2 LYS 22 12.217 -3.707 -4.078
189 2HD LYS 22 HD1 LYS 22 12.795 -5.217 -4.780
190 1HE LYS 22 HE2 LYS 22 9.848 -4.783 -4.888
191 2HE LYS 22 HE1 LYS 22 10.838 -3.747 -5.936
192 1HZ LYS 22 HZ1 LYS 22 11.086 -6.704 -5.741
193 2HZ LYS 22 HZ2 LYS 22 11.971 -5.689 -6.777
194 3HZ LYS 22 HZ3 LYS 22 10.298 -5.883 -6.999
195 H ILE 23 HN ILE 23 11.370 -1.583 -2.034
196 HA ILE 23 HA ILE 23 14.006 -1.614 -3.243
197 HB ILE 23 HB ILE 23 12.043 0.587 -2.509
198 1HG1 ILE 23 2HG1 ILE 23 12.664 -0.328 -5.299
199 2HG1 ILE 23 1HG1 ILE 23 11.603 -1.323 -4.302
200 1HG2 ILE 23 1HG2 ILE 23 14.442 0.740 -4.362
201 2HG2 ILE 23 2HG2 ILE 23 14.396 1.420 -2.734
202 3HG2 ILE 23 3HG2 ILE 23 13.320 2.047 -3.982
203 1HD1 ILE 23 1HD1 ILE 23 11.215 1.601 -4.998
204 2HD1 ILE 23 2HD1 ILE 23 10.211 0.714 -3.851
205 3HD1 ILE 23 3HD1 ILE 23 10.233 0.245 -5.550
206 H VAL 24 HN VAL 24 12.663 -0.381 -0.201
207 HA VAL 24 HA VAL 24 15.147 0.835 0.715
208 HB VAL 24 HB VAL 24 12.544 0.026 2.054
209 1HG1 VAL 24 1HG1 VAL 24 14.281 0.110 3.759
210 2HG1 VAL 24 2HG1 VAL 24 13.281 1.557 3.894
211 3HG1 VAL 24 3HG1 VAL 24 14.869 1.651 3.132
212 1HG2 VAL 24 1HG2 VAL 24 12.055 2.428 1.939
213 2HG2 VAL 24 2HG2 VAL 24 12.414 1.814 0.326
214 3HG2 VAL 24 3HG2 VAL 24 13.632 2.733 1.211
215 H LEU 25 HN LEU 25 13.604 -2.311 1.042
216 HA LEU 25 HA LEU 25 15.459 -3.283 3.099
217 1HB LEU 25 HB2 LEU 25 13.222 -4.112 3.125
218 2HB LEU 25 HB1 LEU 25 13.241 -4.438 1.395
219 HG LEU 25 HG LEU 25 14.831 -6.253 1.702
220 1HD1 LEU 25 1HD1 LEU 25 16.273 -5.865 3.441
221 2HD1 LEU 25 2HD1 LEU 25 15.089 -6.806 4.347
222 3HD1 LEU 25 3HD1 LEU 25 15.048 -5.043 4.407
223 1HD2 LEU 25 1HD2 LEU 25 12.629 -6.461 3.778
224 2HD2 LEU 25 2HD2 LEU 25 13.422 -7.800 2.949
225 3HD2 LEU 25 3HD2 LEU 25 12.390 -6.692 2.045
226 H GLY 26 HN GLY 26 14.950 -3.851 -0.406
227 1HA GLY 26 HA2 GLY 26 17.258 -5.641 -0.581
228 2HA GLY 26 HA1 GLY 26 16.284 -5.069 -1.935
229 H TRP 27 HN TRP 27 16.535 -2.455 -2.083
230 HA TRP 27 HA TRP 27 19.357 -2.031 -2.749
231 1HB TRP 27 HB2 TRP 27 16.794 -1.031 -3.484
232 2HB TRP 27 HB1 TRP 27 17.727 0.342 -2.892
233 HD1 TRP 27 HD1 TRP 27 17.185 -1.632 -5.916
234 HE1 TRP 27 HE1 TRP 27 19.045 -1.210 -7.650
235 HE3 TRP 27 HE3 TRP 27 20.609 0.758 -2.974
236 HZ2 TRP 27 HZ2 TRP 27 21.642 -0.015 -7.773
237 HZ3 TRP 27 HZ3 TRP 27 22.763 1.526 -3.924
238 HH2 TRP 27 HH2 TRP 27 23.285 1.143 -6.318
239 H ALA 28 HN ALA 28 20.824 -1.317 -1.274
240 HA ALA 28 HA ALA 28 21.783 -0.168 0.545
241 1HB ALA 28 HB1 ALA 28 20.996 2.048 0.822
242 2HB ALA 28 HB2 ALA 28 19.331 1.593 0.462
243 3HB ALA 28 HB3 ALA 28 20.530 1.644 -0.831
Start of MODEL 18
1 1H SER 1 HT1 SER 1 -15.786 10.564 4.376
2 2H SER 1 HT2 SER 1 -14.910 10.576 5.832
3 3H SER 1 HT3 SER 1 -16.233 11.621 5.626
4 HA SER 1 HA SER 1 -16.865 9.752 7.033
5 1HB SER 1 HB2 SER 1 -18.301 10.929 5.206
6 2HB SER 1 HB1 SER 1 -18.107 9.431 4.299
7 HG SER 1 HG SER 1 -19.906 9.867 6.062
8 H GLY 2 HN GLY 2 -17.601 7.359 6.790
9 1HA GLY 2 HA2 GLY 2 -15.304 5.781 5.921
10 2HA GLY 2 HA1 GLY 2 -16.769 5.151 6.675
11 H ASN 3 HN ASN 3 -15.369 6.214 3.608
12 HA ASN 3 HA ASN 3 -17.721 5.274 2.076
13 1HB ASN 3 HB2 ASN 3 -15.293 6.898 1.671
14 2HB ASN 3 HB1 ASN 3 -15.728 5.903 0.285
15 1HD2 ASN 3 1HD2 ASN 3 -17.172 8.275 2.582
16 2HD2 ASN 3 2HD2 ASN 3 -18.312 8.869 1.475
17 H TYR 4 HN TYR 4 -17.444 3.651 0.354
18 HA TYR 4 HA TYR 4 -16.205 1.224 1.208
19 1HB TYR 4 HB2 TYR 4 -18.109 1.784 -0.516
20 2HB TYR 4 HB1 TYR 4 -16.784 1.887 -1.675
21 HD1 TYR 4 HD1 TYR 4 -16.615 -0.059 -2.946
22 HD2 TYR 4 HD2 TYR 4 -17.534 -0.368 1.240
23 HE1 TYR 4 HE1 TYR 4 -16.574 -2.531 -3.119
24 HE2 TYR 4 HE2 TYR 4 -17.492 -2.840 1.066
25 HH TYR 4 HH TYR 4 -17.896 -4.519 -1.342
26 H VAL 5 HN VAL 5 -15.116 3.719 -1.108
27 HA VAL 5 HA VAL 5 -12.771 2.384 -2.048
28 HB VAL 5 HB VAL 5 -12.079 4.663 -2.718
29 1HG1 VAL 5 1HG1 VAL 5 -15.037 4.763 -3.080
30 2HG1 VAL 5 2HG1 VAL 5 -14.201 3.323 -3.661
31 3HG1 VAL 5 3HG1 VAL 5 -13.751 4.913 -4.277
32 1HG2 VAL 5 1HG2 VAL 5 -13.782 6.522 -2.048
33 2HG2 VAL 5 2HG2 VAL 5 -12.544 6.057 -0.881
34 3HG2 VAL 5 3HG2 VAL 5 -14.189 5.446 -0.711
35 H LEU 6 HN LEU 6 -13.293 4.447 0.830
36 HA LEU 6 HA LEU 6 -10.563 4.683 1.654
37 1HB LEU 6 HB2 LEU 6 -13.276 5.027 2.756
38 2HB LEU 6 HB1 LEU 6 -12.077 4.593 3.975
39 HG LEU 6 HG LEU 6 -10.606 6.432 2.916
40 1HD1 LEU 6 1HD1 LEU 6 -11.813 6.804 0.864
41 2HD1 LEU 6 2HD1 LEU 6 -12.007 8.253 1.851
42 3HD1 LEU 6 3HD1 LEU 6 -13.320 7.080 1.736
43 1HD2 LEU 6 1HD2 LEU 6 -11.504 6.821 5.087
44 2HD2 LEU 6 2HD2 LEU 6 -13.148 6.963 4.467
45 3HD2 LEU 6 3HD2 LEU 6 -11.970 8.235 4.144
46 H ASP 7 HN ASP 7 -13.040 2.207 2.364
47 HA ASP 7 HA ASP 7 -11.371 0.587 4.084
48 1HB ASP 7 HB2 ASP 7 -14.021 0.658 3.148
49 2HB ASP 7 HB1 ASP 7 -13.372 -0.854 2.515
50 H LEU 8 HN LEU 8 -12.018 0.643 0.587
51 HA LEU 8 HA LEU 8 -10.491 -1.728 -0.071
52 1HB LEU 8 HB2 LEU 8 -12.093 0.299 -1.342
53 2HB LEU 8 HB1 LEU 8 -10.604 0.081 -2.260
54 HG LEU 8 HG LEU 8 -11.301 -2.516 -1.637
55 1HD1 LEU 8 1HD1 LEU 8 -13.672 -2.756 -2.156
56 2HD1 LEU 8 2HD1 LEU 8 -13.831 -1.015 -2.389
57 3HD1 LEU 8 3HD1 LEU 8 -13.495 -1.664 -0.783
58 1HD2 LEU 8 1HD2 LEU 8 -12.005 -2.627 -4.036
59 2HD2 LEU 8 2HD2 LEU 8 -10.498 -1.740 -3.814
60 3HD2 LEU 8 3HD2 LEU 8 -12.004 -0.865 -4.089
61 H ILE 9 HN ILE 9 -9.649 1.700 0.301
62 HA ILE 9 HA ILE 9 -7.176 1.850 -1.036
63 HB ILE 9 HB ILE 9 -8.297 3.023 1.506
64 1HG1 ILE 9 2HG1 ILE 9 -9.010 3.695 -0.867
65 2HG1 ILE 9 1HG1 ILE 9 -8.513 5.003 0.202
66 1HG2 ILE 9 1HG2 ILE 9 -5.991 3.022 2.065
67 2HG2 ILE 9 2HG2 ILE 9 -6.284 4.624 1.389
68 3HG2 ILE 9 3HG2 ILE 9 -5.505 3.381 0.409
69 1HD1 ILE 9 1HD1 ILE 9 -6.506 3.668 -1.607
70 2HD1 ILE 9 2HD1 ILE 9 -6.447 5.277 -0.888
71 3HD1 ILE 9 3HD1 ILE 9 -7.552 4.947 -2.221
72 H TYR 10 HN TYR 10 -7.998 0.172 1.937
73 HA TYR 10 HA TYR 10 -5.425 -0.303 3.044
74 1HB TYR 10 HB2 TYR 10 -6.719 -1.518 4.476
75 2HB TYR 10 HB1 TYR 10 -8.088 -1.033 3.490
76 HD1 TYR 10 HD1 TYR 10 -5.719 -3.746 4.259
77 HD2 TYR 10 HD2 TYR 10 -9.091 -2.589 1.864
78 HE1 TYR 10 HE1 TYR 10 -6.110 -6.119 3.659
79 HE2 TYR 10 HE2 TYR 10 -9.480 -4.958 1.263
80 HH TYR 10 HH TYR 10 -7.336 -7.294 1.498
81 H SER 11 HN SER 11 -7.188 -2.059 0.481
82 HA SER 11 HA SER 11 -5.067 -4.026 0.053
83 1HB SER 11 HB2 SER 11 -7.650 -4.093 -0.418
84 2HB SER 11 HB1 SER 11 -7.228 -3.267 -1.915
85 HG SER 11 HG SER 11 -7.258 -5.642 -1.966
86 H LEU 12 HN LEU 12 -5.962 -0.871 -1.240
87 HA LEU 12 HA LEU 12 -4.189 -0.932 -3.541
88 1HB LEU 12 HB2 LEU 12 -5.755 1.124 -1.985
89 2HB LEU 12 HB1 LEU 12 -4.664 1.633 -3.270
90 HG LEU 12 HG LEU 12 -6.805 -0.469 -3.675
91 1HD1 LEU 12 1HD1 LEU 12 -6.906 2.534 -4.043
92 2HD1 LEU 12 2HD1 LEU 12 -8.003 1.523 -3.104
93 3HD1 LEU 12 3HD1 LEU 12 -8.015 1.436 -4.865
94 1HD2 LEU 12 1HD2 LEU 12 -6.443 0.248 -6.080
95 2HD2 LEU 12 2HD2 LEU 12 -5.055 -0.551 -5.340
96 3HD2 LEU 12 3HD2 LEU 12 -5.070 1.203 -5.519
97 H HIS 13 HN HIS 13 -3.920 0.049 -0.167
98 HA HIS 13 HA HIS 13 -1.368 1.421 -0.453
99 1HB HIS 13 HB2 HIS 13 -3.319 1.512 1.358
100 2HB HIS 13 HB1 HIS 13 -2.347 0.260 2.132
101 HD1 HIS 13 HD1 HIS 13 0.015 0.929 2.990
102 HD2 HIS 13 HD2 HIS 13 -2.081 4.082 1.248
103 HE1 HIS 13 HE1 HIS 13 1.296 3.038 3.553
104 H LYS 14 HN LYS 14 -2.335 -1.828 0.774
105 HA LYS 14 HA LYS 14 0.308 -2.696 1.447
106 1HB LYS 14 HB2 LYS 14 -0.704 -4.932 1.419
107 2HB LYS 14 HB1 LYS 14 -1.833 -3.782 2.129
108 1HG LYS 14 HG2 LYS 14 -3.326 -4.621 0.647
109 2HG LYS 14 HG1 LYS 14 -2.474 -3.637 -0.540
110 1HD LYS 14 HD2 LYS 14 -1.143 -5.467 -1.266
111 2HD LYS 14 HD1 LYS 14 -1.578 -6.439 0.141
112 1HE LYS 14 HE2 LYS 14 -2.941 -7.335 -1.583
113 2HE LYS 14 HE1 LYS 14 -4.031 -6.201 -0.762
114 1HZ LYS 14 HZ1 LYS 14 -2.341 -5.556 -3.123
115 2HZ LYS 14 HZ2 LYS 14 -3.402 -4.482 -2.337
116 3HZ LYS 14 HZ3 LYS 14 -4.012 -5.833 -3.168
117 H GLN 15 HN GLN 15 -1.306 -2.358 -1.626
118 HA GLN 15 HA GLN 15 0.505 -4.063 -3.155
119 1HB GLN 15 HB2 GLN 15 -1.821 -3.519 -3.838
120 2HB GLN 15 HB1 GLN 15 -1.384 -1.814 -3.949
121 1HG GLN 15 HG2 GLN 15 0.378 -2.487 -5.652
122 2HG GLN 15 HG1 GLN 15 -0.349 -4.094 -5.656
123 1HE2 GLN 15 1HE2 GLN 15 -0.338 -1.476 -7.558
124 2HE2 GLN 15 2HE2 GLN 15 -1.949 -1.449 -8.086
125 H ILE 16 HN ILE 16 0.317 -0.692 -2.200
126 HA ILE 16 HA ILE 16 2.589 0.158 -3.861
127 HB ILE 16 HB ILE 16 0.753 1.390 -1.797
128 1HG1 ILE 16 2HG1 ILE 16 1.308 2.178 -4.669
129 2HG1 ILE 16 1HG1 ILE 16 0.059 1.019 -4.217
130 1HG2 ILE 16 1HG2 ILE 16 3.273 2.546 -2.997
131 2HG2 ILE 16 2HG2 ILE 16 2.779 2.519 -1.305
132 3HG2 ILE 16 3HG2 ILE 16 1.953 3.580 -2.446
133 1HD1 ILE 16 1HD1 ILE 16 0.172 3.748 -2.938
134 2HD1 ILE 16 2HD1 ILE 16 -1.196 2.640 -3.052
135 3HD1 ILE 16 3HD1 ILE 16 -0.637 3.503 -4.485
136 H ASN 17 HN ASN 17 1.972 -0.935 -0.585
137 HA ASN 17 HA ASN 17 4.519 -0.037 0.528
138 1HB ASN 17 HB2 ASN 17 2.033 -1.201 1.384
139 2HB ASN 17 HB1 ASN 17 3.361 -2.166 2.029
140 1HD2 ASN 17 1HD2 ASN 17 4.931 -1.062 3.452
141 2HD2 ASN 17 2HD2 ASN 17 4.547 0.423 4.177
142 H ARG 18 HN ARG 18 3.235 -3.213 -0.590
143 HA ARG 18 HA ARG 18 5.462 -4.824 0.070
144 1HB ARG 18 HB2 ARG 18 4.565 -6.342 -1.607
145 2HB ARG 18 HB1 ARG 18 3.215 -5.540 -0.808
146 1HG ARG 18 HG2 ARG 18 3.289 -3.841 -2.723
147 2HG ARG 18 HG1 ARG 18 4.353 -4.981 -3.550
148 1HD ARG 18 HD2 ARG 18 2.601 -6.752 -3.285
149 2HD ARG 18 HD1 ARG 18 1.521 -5.526 -2.595
150 HE ARG 18 HE ARG 18 1.935 -4.239 -4.787
151 1HH1 ARG 18 1HH1 ARG 18 3.842 -6.128 -6.024
152 2HH1 ARG 18 2HH1 ARG 18 2.827 -7.112 -7.023
153 1HH2 ARG 18 1HH2 ARG 18 -0.106 -6.172 -5.409
154 2HH2 ARG 18 2HH2 ARG 18 0.579 -7.137 -6.674
155 H GLY 19 HN GLY 19 5.002 -2.674 -2.732
156 1HA GLY 19 HA2 GLY 19 7.569 -3.470 -3.928
157 2HA GLY 19 HA1 GLY 19 6.489 -2.209 -4.530
158 H LEU 20 HN LEU 20 6.203 -0.712 -2.134
159 HA LEU 20 HA LEU 20 8.450 1.033 -2.215
160 1HB LEU 20 HB2 LEU 20 6.268 1.750 -1.464
161 2HB LEU 20 HB1 LEU 20 6.254 0.536 -0.187
162 HG LEU 20 HG LEU 20 8.122 1.663 0.938
163 1HD1 LEU 20 1HD1 LEU 20 8.045 3.337 -1.554
164 2HD1 LEU 20 2HD1 LEU 20 9.438 2.679 -0.697
165 3HD1 LEU 20 3HD1 LEU 20 8.579 4.073 -0.043
166 1HD2 LEU 20 1HD2 LEU 20 5.709 2.370 1.306
167 2HD2 LEU 20 2HD2 LEU 20 6.015 3.713 0.203
168 3HD2 LEU 20 3HD2 LEU 20 6.913 3.592 1.717
169 H LYS 21 HN LYS 21 7.623 -1.571 0.065
170 HA LYS 21 HA LYS 21 9.768 -1.239 1.910
171 1HB LYS 21 HB2 LYS 21 7.844 -3.333 1.069
172 2HB LYS 21 HB1 LYS 21 9.291 -3.930 1.879
173 1HG LYS 21 HG2 LYS 21 8.711 -1.908 3.546
174 2HG LYS 21 HG1 LYS 21 7.082 -2.239 2.950
175 1HD LYS 21 HD2 LYS 21 7.804 -4.759 3.409
176 2HD LYS 21 HD1 LYS 21 8.909 -3.991 4.547
177 1HE LYS 21 HE2 LYS 21 6.046 -3.093 4.576
178 2HE LYS 21 HE1 LYS 21 6.436 -4.664 5.300
179 1HZ LYS 21 HZ1 LYS 21 6.817 -3.162 7.024
180 2HZ LYS 21 HZ2 LYS 21 7.509 -1.997 5.999
181 3HZ LYS 21 HZ3 LYS 21 8.369 -3.410 6.389
182 H LYS 22 HN LYS 22 9.541 -3.459 -0.874
183 HA LYS 22 HA LYS 22 12.118 -4.572 -0.839
184 1HB LYS 22 HB2 LYS 22 10.186 -5.168 -2.318
185 2HB LYS 22 HB1 LYS 22 10.493 -3.704 -3.252
186 1HG LYS 22 HG2 LYS 22 12.932 -5.250 -2.912
187 2HG LYS 22 HG1 LYS 22 11.665 -6.220 -3.661
188 1HD LYS 22 HD2 LYS 22 11.431 -4.739 -5.480
189 2HD LYS 22 HD1 LYS 22 12.229 -3.421 -4.623
190 1HE LYS 22 HE2 LYS 22 14.187 -4.035 -5.582
191 2HE LYS 22 HE1 LYS 22 14.087 -5.586 -4.727
192 1HZ LYS 22 HZ1 LYS 22 14.118 -5.900 -7.142
193 2HZ LYS 22 HZ2 LYS 22 12.721 -4.945 -7.293
194 3HZ LYS 22 HZ3 LYS 22 12.654 -6.432 -6.473
195 H ILE 23 HN ILE 23 11.097 -1.433 -2.142
196 HA ILE 23 HA ILE 23 13.623 -0.755 -3.374
197 HB ILE 23 HB ILE 23 11.248 0.850 -2.382
198 1HG1 ILE 23 2HG1 ILE 23 12.077 0.332 -5.238
199 2HG1 ILE 23 1HG1 ILE 23 11.111 -0.846 -4.351
200 1HG2 ILE 23 1HG2 ILE 23 12.376 2.481 -4.199
201 2HG2 ILE 23 2HG2 ILE 23 13.837 1.704 -3.589
202 3HG2 ILE 23 3HG2 ILE 23 12.772 2.571 -2.482
203 1HD1 ILE 23 1HD1 ILE 23 10.389 2.054 -4.863
204 2HD1 ILE 23 2HD1 ILE 23 9.454 0.955 -3.849
205 3HD1 ILE 23 3HD1 ILE 23 9.617 0.636 -5.576
206 H VAL 24 HN VAL 24 12.158 0.046 -0.223
207 HA VAL 24 HA VAL 24 14.381 1.611 0.751
208 HB VAL 24 HB VAL 24 12.127 0.101 2.113
209 1HG1 VAL 24 1HG1 VAL 24 13.519 0.404 3.929
210 2HG1 VAL 24 2HG1 VAL 24 12.759 1.995 3.900
211 3HG1 VAL 24 3HG1 VAL 24 14.359 1.769 3.192
212 1HG2 VAL 24 1HG2 VAL 24 11.071 2.300 2.245
213 2HG2 VAL 24 2HG2 VAL 24 11.496 1.968 0.566
214 3HG2 VAL 24 3HG2 VAL 24 12.493 3.059 1.530
215 H LEU 25 HN LEU 25 13.570 -1.823 0.862
216 HA LEU 25 HA LEU 25 15.647 -2.605 2.738
217 1HB LEU 25 HB2 LEU 25 14.055 -4.096 0.621
218 2HB LEU 25 HB1 LEU 25 15.061 -4.883 1.836
219 HG LEU 25 HG LEU 25 12.906 -2.931 2.623
220 1HD1 LEU 25 1HD1 LEU 25 11.339 -4.759 2.848
221 2HD1 LEU 25 2HD1 LEU 25 12.568 -5.933 2.378
222 3HD1 LEU 25 3HD1 LEU 25 11.952 -4.781 1.195
223 1HD2 LEU 25 1HD2 LEU 25 14.656 -3.629 4.271
224 2HD2 LEU 25 2HD2 LEU 25 14.153 -5.304 4.047
225 3HD2 LEU 25 3HD2 LEU 25 13.035 -4.134 4.747
226 H GLY 26 HN GLY 26 15.410 -2.403 -0.799
227 1HA GLY 26 HA2 GLY 26 18.029 -3.595 -1.265
228 2HA GLY 26 HA1 GLY 26 17.026 -2.797 -2.474
229 H TRP 27 HN TRP 27 16.788 -0.295 -0.895
230 HA TRP 27 HA TRP 27 19.455 0.834 -1.592
231 1HB TRP 27 HB2 TRP 27 16.878 1.595 -2.121
232 2HB TRP 27 HB1 TRP 27 17.236 2.582 -0.705
233 HD1 TRP 27 HD1 TRP 27 18.727 1.768 -4.171
234 HE1 TRP 27 HE1 TRP 27 20.048 3.825 -4.984
235 HE3 TRP 27 HE3 TRP 27 18.287 4.779 -0.068
236 HZ2 TRP 27 HZ2 TRP 27 20.816 6.408 -4.023
237 HZ3 TRP 27 HZ3 TRP 27 19.322 7.030 -0.044
238 HH2 TRP 27 HH2 TRP 27 20.584 7.847 -2.015
239 H ALA 28 HN ALA 28 20.138 2.715 -0.073
240 HA ALA 28 HA ALA 28 20.899 3.424 2.033
241 1HB ALA 28 HB1 ALA 28 18.368 3.616 2.228
242 2HB ALA 28 HB2 ALA 28 19.220 3.431 3.761
243 3HB ALA 28 HB3 ALA 28 18.390 2.053 3.043
Start of MODEL 19
1 1H SER 1 HT1 SER 1 -25.513 3.196 -7.109
2 2H SER 1 HT2 SER 1 -24.174 3.936 -7.849
3 3H SER 1 HT3 SER 1 -24.729 4.489 -6.341
4 HA SER 1 HA SER 1 -24.139 2.313 -5.349
5 1HB SER 1 HB2 SER 1 -22.753 0.846 -6.856
6 2HB SER 1 HB1 SER 1 -24.418 1.029 -7.400
7 HG SER 1 HG SER 1 -22.590 1.350 -8.971
8 H GLY 2 HN GLY 2 -21.679 1.755 -4.954
9 1HA GLY 2 HA2 GLY 2 -19.351 2.594 -5.203
10 2HA GLY 2 HA1 GLY 2 -20.027 4.215 -5.376
11 H ASN 3 HN ASN 3 -18.982 1.806 -3.132
12 HA ASN 3 HA ASN 3 -19.197 3.734 -0.911
13 1HB ASN 3 HB2 ASN 3 -21.312 2.025 -1.436
14 2HB ASN 3 HB1 ASN 3 -20.400 1.142 -0.212
15 1HD2 ASN 3 1HD2 ASN 3 -21.616 4.490 -0.829
16 2HD2 ASN 3 2HD2 ASN 3 -21.970 4.810 0.800
17 H TYR 4 HN TYR 4 -18.482 2.379 1.212
18 HA TYR 4 HA TYR 4 -16.471 1.595 2.202
19 1HB TYR 4 HB2 TYR 4 -16.330 -0.911 1.745
20 2HB TYR 4 HB1 TYR 4 -17.883 -0.309 2.305
21 HD1 TYR 4 HD1 TYR 4 -15.996 -1.472 -0.679
22 HD2 TYR 4 HD2 TYR 4 -19.843 -0.426 0.923
23 HE1 TYR 4 HE1 TYR 4 -17.094 -2.433 -2.684
24 HE2 TYR 4 HE2 TYR 4 -20.938 -1.384 -1.083
25 HH TYR 4 HH TYR 4 -19.937 -3.412 -2.931
26 H VAL 5 HN VAL 5 -15.649 3.137 0.052
27 HA VAL 5 HA VAL 5 -13.684 1.510 -1.483
28 HB VAL 5 HB VAL 5 -13.402 3.549 -2.799
29 1HG1 VAL 5 1HG1 VAL 5 -16.354 3.455 -2.218
30 2HG1 VAL 5 2HG1 VAL 5 -15.542 2.076 -2.960
31 3HG1 VAL 5 3HG1 VAL 5 -15.536 3.644 -3.768
32 1HG2 VAL 5 1HG2 VAL 5 -14.718 5.604 -2.183
33 2HG2 VAL 5 2HG2 VAL 5 -13.419 5.230 -1.052
34 3HG2 VAL 5 3HG2 VAL 5 -15.089 4.846 -0.635
35 H LEU 6 HN LEU 6 -13.771 4.143 0.940
36 HA LEU 6 HA LEU 6 -10.968 4.682 1.057
37 1HB LEU 6 HB2 LEU 6 -13.055 5.843 2.125
38 2HB LEU 6 HB1 LEU 6 -12.813 4.701 3.447
39 HG LEU 6 HG LEU 6 -10.318 5.524 3.331
40 1HD1 LEU 6 1HD1 LEU 6 -10.616 6.864 1.281
41 2HD1 LEU 6 2HD1 LEU 6 -10.152 7.891 2.638
42 3HD1 LEU 6 3HD1 LEU 6 -11.831 7.849 2.098
43 1HD2 LEU 6 1HD2 LEU 6 -11.887 5.871 5.227
44 2HD2 LEU 6 2HD2 LEU 6 -12.526 7.302 4.418
45 3HD2 LEU 6 3HD2 LEU 6 -10.851 7.276 4.969
46 H ASP 7 HN ASP 7 -12.972 2.327 2.845
47 HA ASP 7 HA ASP 7 -10.877 1.223 4.466
48 1HB ASP 7 HB2 ASP 7 -13.542 0.960 4.328
49 2HB ASP 7 HB1 ASP 7 -13.111 -0.460 3.380
50 H LEU 8 HN LEU 8 -12.157 0.358 1.258
51 HA LEU 8 HA LEU 8 -10.515 -1.920 0.728
52 1HB LEU 8 HB2 LEU 8 -12.465 -0.297 -0.547
53 2HB LEU 8 HB1 LEU 8 -11.088 -0.383 -1.642
54 HG LEU 8 HG LEU 8 -11.352 -2.986 -0.647
55 1HD1 LEU 8 1HD1 LEU 8 -13.770 -3.456 -1.290
56 2HD1 LEU 8 2HD1 LEU 8 -14.041 -1.714 -1.222
57 3HD1 LEU 8 3HD1 LEU 8 -13.551 -2.588 0.229
58 1HD2 LEU 8 1HD2 LEU 8 -11.885 -3.532 -2.942
59 2HD2 LEU 8 2HD2 LEU 8 -10.775 -2.162 -2.973
60 3HD2 LEU 8 3HD2 LEU 8 -12.500 -1.906 -3.241
61 H ILE 9 HN ILE 9 -9.865 1.562 0.337
62 HA ILE 9 HA ILE 9 -7.605 1.514 -1.348
63 HB ILE 9 HB ILE 9 -8.318 3.185 1.080
64 1HG1 ILE 9 2HG1 ILE 9 -8.324 3.905 -1.863
65 2HG1 ILE 9 1HG1 ILE 9 -9.731 3.232 -1.046
66 1HG2 ILE 9 1HG2 ILE 9 -5.941 3.421 0.887
67 2HG2 ILE 9 2HG2 ILE 9 -6.637 4.832 0.092
68 3HG2 ILE 9 3HG2 ILE 9 -6.023 3.490 -0.873
69 1HD1 ILE 9 1HD1 ILE 9 -8.490 5.924 -0.774
70 2HD1 ILE 9 2HD1 ILE 9 -9.144 5.197 0.694
71 3HD1 ILE 9 3HD1 ILE 9 -10.189 5.458 -0.703
72 H TYR 10 HN TYR 10 -7.894 0.462 1.990
73 HA TYR 10 HA TYR 10 -5.170 0.417 2.797
74 1HB TYR 10 HB2 TYR 10 -6.102 -0.622 4.607
75 2HB TYR 10 HB1 TYR 10 -7.633 -0.318 3.807
76 HD1 TYR 10 HD1 TYR 10 -8.738 -2.143 2.475
77 HD2 TYR 10 HD2 TYR 10 -5.178 -2.840 4.774
78 HE1 TYR 10 HE1 TYR 10 -9.146 -4.580 2.365
79 HE2 TYR 10 HE2 TYR 10 -5.585 -5.282 4.657
80 HH TYR 10 HH TYR 10 -8.378 -6.648 4.001
81 H SER 11 HN SER 11 -7.032 -1.924 0.860
82 HA SER 11 HA SER 11 -4.850 -3.843 0.597
83 1HB SER 11 HB2 SER 11 -7.397 -4.185 0.391
84 2HB SER 11 HB1 SER 11 -7.259 -3.460 -1.208
85 HG SER 11 HG SER 11 -7.051 -5.874 -0.936
86 H LEU 12 HN LEU 12 -6.104 -1.099 -1.274
87 HA LEU 12 HA LEU 12 -4.518 -1.440 -3.642
88 1HB LEU 12 HB2 LEU 12 -6.348 0.445 -2.445
89 2HB LEU 12 HB1 LEU 12 -4.965 1.321 -3.097
90 HG LEU 12 HG LEU 12 -6.623 -0.705 -4.628
91 1HD1 LEU 12 1HD1 LEU 12 -6.482 2.300 -4.989
92 2HD1 LEU 12 2HD1 LEU 12 -7.754 1.492 -4.072
93 3HD1 LEU 12 3HD1 LEU 12 -7.572 1.172 -5.797
94 1HD2 LEU 12 1HD2 LEU 12 -4.269 -0.585 -5.371
95 2HD2 LEU 12 2HD2 LEU 12 -4.397 1.169 -5.503
96 3HD2 LEU 12 3HD2 LEU 12 -5.338 0.134 -6.576
97 H HIS 13 HN HIS 13 -3.965 0.247 -0.576
98 HA HIS 13 HA HIS 13 -1.435 1.438 -1.288
99 1HB HIS 13 HB2 HIS 13 -3.184 1.842 0.665
100 2HB HIS 13 HB1 HIS 13 -2.183 0.667 1.519
101 HD1 HIS 13 HD1 HIS 13 -2.413 4.192 0.962
102 HD2 HIS 13 HD2 HIS 13 0.765 1.506 1.232
103 HE1 HIS 13 HE1 HIS 13 -0.341 5.573 1.434
104 H LYS 14 HN LYS 14 -2.366 -1.746 -0.076
105 HA LYS 14 HA LYS 14 0.168 -2.626 0.913
106 1HB LYS 14 HB2 LYS 14 -2.435 -3.722 0.147
107 2HB LYS 14 HB1 LYS 14 -1.117 -4.841 -0.205
108 1HG LYS 14 HG2 LYS 14 -2.038 -5.119 2.104
109 2HG LYS 14 HG1 LYS 14 -0.325 -4.703 2.093
110 1HD LYS 14 HD2 LYS 14 -0.719 -2.821 3.263
111 2HD LYS 14 HD1 LYS 14 -1.917 -2.292 2.083
112 1HE LYS 14 HE2 LYS 14 -3.441 -2.593 3.750
113 2HE LYS 14 HE1 LYS 14 -3.238 -4.330 3.448
114 1HZ LYS 14 HZ1 LYS 14 -1.180 -4.110 4.926
115 2HZ LYS 14 HZ2 LYS 14 -2.697 -4.081 5.692
116 3HZ LYS 14 HZ3 LYS 14 -1.846 -2.634 5.435
117 H GLN 15 HN GLN 15 -1.149 -2.418 -2.345
118 HA GLN 15 HA GLN 15 0.915 -3.978 -3.655
119 1HB GLN 15 HB2 GLN 15 -1.230 -2.020 -4.425
120 2HB GLN 15 HB1 GLN 15 -0.020 -2.468 -5.627
121 1HG GLN 15 HG2 GLN 15 -1.217 -4.720 -4.108
122 2HG GLN 15 HG1 GLN 15 -2.302 -3.882 -5.217
123 1HE2 GLN 15 1HE2 GLN 15 -0.365 -6.522 -5.177
124 2HE2 GLN 15 2HE2 GLN 15 0.167 -6.536 -6.789
125 H ILE 16 HN ILE 16 0.521 -0.589 -2.775
126 HA ILE 16 HA ILE 16 2.912 0.335 -4.192
127 HB ILE 16 HB ILE 16 1.124 1.564 -2.063
128 1HG1 ILE 16 2HG1 ILE 16 -0.055 1.024 -4.168
129 2HG1 ILE 16 1HG1 ILE 16 0.103 2.767 -3.965
130 1HG2 ILE 16 1HG2 ILE 16 3.037 2.891 -1.955
131 2HG2 ILE 16 2HG2 ILE 16 2.112 3.715 -3.211
132 3HG2 ILE 16 3HG2 ILE 16 3.434 2.636 -3.655
133 1HD1 ILE 16 1HD1 ILE 16 1.079 1.113 -6.111
134 2HD1 ILE 16 2HD1 ILE 16 2.441 1.905 -5.318
135 3HD1 ILE 16 3HD1 ILE 16 1.116 2.869 -5.971
136 H ASN 17 HN ASN 17 2.001 -0.189 -0.790
137 HA ASN 17 HA ASN 17 4.521 0.470 0.393
138 1HB ASN 17 HB2 ASN 17 1.948 -0.407 1.155
139 2HB ASN 17 HB1 ASN 17 3.062 -1.604 1.806
140 1HD2 ASN 17 1HD2 ASN 17 3.002 -0.915 4.028
141 2HD2 ASN 17 2HD2 ASN 17 3.553 0.608 4.530
142 H ARG 18 HN ARG 18 3.257 -2.609 -0.902
143 HA ARG 18 HA ARG 18 5.275 -4.367 0.065
144 1HB ARG 18 HB2 ARG 18 3.312 -4.257 -2.166
145 2HB ARG 18 HB1 ARG 18 4.642 -5.397 -2.375
146 1HG ARG 18 HG2 ARG 18 3.071 -5.285 0.199
147 2HG ARG 18 HG1 ARG 18 2.518 -6.251 -1.168
148 1HD ARG 18 HD2 ARG 18 3.874 -7.894 -0.357
149 2HD ARG 18 HD1 ARG 18 5.228 -6.911 -0.949
150 HE ARG 18 HE ARG 18 5.492 -5.990 1.273
151 1HH1 ARG 18 1HH1 ARG 18 2.568 -5.975 2.039
152 2HH1 ARG 18 2HH1 ARG 18 2.515 -7.206 3.258
153 1HH2 ARG 18 1HH2 ARG 18 5.590 -8.573 2.373
154 2HH2 ARG 18 2HH2 ARG 18 4.236 -8.683 3.448
155 H GLY 19 HN GLY 19 5.143 -2.735 -3.137
156 1HA GLY 19 HA2 GLY 19 7.832 -3.456 -3.873
157 2HA GLY 19 HA1 GLY 19 6.870 -2.188 -4.635
158 H LEU 20 HN LEU 20 6.404 -0.587 -2.328
159 HA LEU 20 HA LEU 20 8.694 1.093 -2.259
160 1HB LEU 20 HB2 LEU 20 6.457 1.850 -1.689
161 2HB LEU 20 HB1 LEU 20 6.356 0.690 -0.368
162 HG LEU 20 HG LEU 20 8.231 1.853 0.774
163 1HD1 LEU 20 1HD1 LEU 20 7.983 3.703 -1.611
164 2HD1 LEU 20 2HD1 LEU 20 9.413 2.811 -1.091
165 3HD1 LEU 20 3HD1 LEU 20 8.811 4.155 -0.121
166 1HD2 LEU 20 1HD2 LEU 20 5.815 3.502 -0.018
167 2HD2 LEU 20 2HD2 LEU 20 6.945 3.998 1.241
168 3HD2 LEU 20 3HD2 LEU 20 6.013 2.512 1.429
169 H LYS 21 HN LYS 21 7.650 -1.486 -0.054
170 HA LYS 21 HA LYS 21 9.725 -1.149 1.915
171 1HB LYS 21 HB2 LYS 21 7.562 -2.367 2.201
172 2HB LYS 21 HB1 LYS 21 8.147 -3.610 1.096
173 1HG LYS 21 HG2 LYS 21 10.126 -3.914 2.661
174 2HG LYS 21 HG1 LYS 21 9.274 -2.880 3.809
175 1HD LYS 21 HD2 LYS 21 7.363 -4.760 2.959
176 2HD LYS 21 HD1 LYS 21 8.843 -5.686 3.213
177 1HE LYS 21 HE2 LYS 21 7.938 -5.682 5.377
178 2HE LYS 21 HE1 LYS 21 8.977 -4.244 5.447
179 1HZ LYS 21 HZ1 LYS 21 7.076 -2.908 4.702
180 2HZ LYS 21 HZ2 LYS 21 6.753 -3.681 6.178
181 3HZ LYS 21 HZ3 LYS 21 6.087 -4.286 4.736
182 H LYS 22 HN LYS 22 9.427 -3.278 -0.927
183 HA LYS 22 HA LYS 22 11.842 -4.742 -0.655
184 1HB LYS 22 HB2 LYS 22 9.998 -5.206 -2.248
185 2HB LYS 22 HB1 LYS 22 10.416 -3.748 -3.148
186 1HG LYS 22 HG2 LYS 22 12.756 -5.426 -2.751
187 2HG LYS 22 HG1 LYS 22 11.464 -6.321 -3.551
188 1HD LYS 22 HD2 LYS 22 11.256 -4.566 -5.246
189 2HD LYS 22 HD1 LYS 22 12.486 -3.603 -4.428
190 1HE LYS 22 HE2 LYS 22 13.544 -6.244 -4.865
191 2HE LYS 22 HE1 LYS 22 12.903 -5.619 -6.398
192 1HZ LYS 22 HZ1 LYS 22 14.715 -4.152 -4.546
193 2HZ LYS 22 HZ2 LYS 22 14.077 -3.537 -5.998
194 3HZ LYS 22 HZ3 LYS 22 15.167 -4.839 -6.030
195 H ILE 23 HN ILE 23 11.261 -1.520 -2.005
196 HA ILE 23 HA ILE 23 13.943 -1.150 -3.054
197 HB ILE 23 HB ILE 23 11.683 0.736 -2.309
198 1HG1 ILE 23 2HG1 ILE 23 11.137 -0.805 -4.135
199 2HG1 ILE 23 1HG1 ILE 23 11.366 0.816 -4.784
200 1HG2 ILE 23 1HG2 ILE 23 14.363 1.238 -3.599
201 2HG2 ILE 23 2HG2 ILE 23 13.579 2.138 -2.301
202 3HG2 ILE 23 3HG2 ILE 23 12.981 2.273 -3.954
203 1HD1 ILE 23 1HD1 ILE 23 12.706 -0.306 -6.272
204 2HD1 ILE 23 2HD1 ILE 23 13.034 -1.621 -5.144
205 3HD1 ILE 23 3HD1 ILE 23 13.900 -0.092 -4.992
206 H VAL 24 HN VAL 24 12.273 -0.149 -0.069
207 HA VAL 24 HA VAL 24 14.473 1.268 1.115
208 HB VAL 24 HB VAL 24 12.103 -0.225 2.294
209 1HG1 VAL 24 1HG1 VAL 24 13.807 0.096 4.017
210 2HG1 VAL 24 2HG1 VAL 24 12.483 1.227 4.290
211 3HG1 VAL 24 3HG1 VAL 24 13.988 1.790 3.561
212 1HG2 VAL 24 1HG2 VAL 24 12.229 2.737 2.265
213 2HG2 VAL 24 2HG2 VAL 24 10.869 1.666 1.931
214 3HG2 VAL 24 3HG2 VAL 24 12.074 1.977 0.681
215 H LEU 25 HN LEU 25 13.468 -2.127 1.209
216 HA LEU 25 HA LEU 25 15.501 -2.997 3.101
217 1HB LEU 25 HB2 LEU 25 13.711 -4.384 1.079
218 2HB LEU 25 HB1 LEU 25 14.748 -5.262 2.198
219 HG LEU 25 HG LEU 25 12.553 -3.320 2.960
220 1HD1 LEU 25 1HD1 LEU 25 12.732 -6.301 3.464
221 2HD1 LEU 25 2HD1 LEU 25 11.875 -5.606 2.088
222 3HD1 LEU 25 3HD1 LEU 25 11.343 -5.249 3.731
223 1HD2 LEU 25 1HD2 LEU 25 13.084 -4.376 5.281
224 2HD2 LEU 25 2HD2 LEU 25 14.172 -3.129 4.672
225 3HD2 LEU 25 3HD2 LEU 25 14.626 -4.829 4.555
226 H GLY 26 HN GLY 26 15.150 -3.225 -0.454
227 1HA GLY 26 HA2 GLY 26 17.761 -4.438 -0.833
228 2HA GLY 26 HA1 GLY 26 16.736 -3.781 -2.108
229 H TRP 27 HN TRP 27 16.772 -1.415 -2.419
230 HA TRP 27 HA TRP 27 19.082 0.024 -1.210
231 1HB TRP 27 HB2 TRP 27 19.011 -1.223 -3.813
232 2HB TRP 27 HB1 TRP 27 19.142 0.524 -4.007
233 HD1 TRP 27 HD1 TRP 27 21.263 1.736 -2.908
234 HE1 TRP 27 HE1 TRP 27 23.591 0.835 -2.264
235 HE3 TRP 27 HE3 TRP 27 20.309 -3.281 -2.933
236 HZ2 TRP 27 HZ2 TRP 27 24.879 -1.680 -1.819
237 HZ3 TRP 27 HZ3 TRP 27 22.102 -4.906 -2.396
238 HH2 TRP 27 HH2 TRP 27 24.384 -4.112 -1.839
239 H ALA 28 HN ALA 28 18.485 2.126 -0.807
240 HA ALA 28 HA ALA 28 16.387 3.403 -2.511
241 1HB ALA 28 HB1 ALA 28 16.327 3.592 0.499
242 2HB ALA 28 HB2 ALA 28 15.589 2.215 -0.320
243 3HB ALA 28 HB3 ALA 28 15.012 3.849 -0.650
Start of MODEL 20
1 1H SER 1 HT1 SER 1 -14.017 12.399 2.918
2 2H SER 1 HT2 SER 1 -13.464 12.508 1.315
3 3H SER 1 HT3 SER 1 -12.774 11.377 2.380
4 HA SER 1 HA SER 1 -15.599 11.332 1.429
5 1HB SER 1 HB2 SER 1 -13.003 10.220 0.486
6 2HB SER 1 HB1 SER 1 -14.389 9.135 0.420
7 HG SER 1 HG SER 1 -14.039 10.515 -1.469
8 H GLY 2 HN GLY 2 -16.658 9.278 2.042
9 1HA GLY 2 HA2 GLY 2 -15.377 7.658 4.150
10 2HA GLY 2 HA1 GLY 2 -16.798 8.577 4.647
11 H ASN 3 HN ASN 3 -15.663 5.885 2.720
12 HA ASN 3 HA ASN 3 -18.397 4.760 2.671
13 1HB ASN 3 HB2 ASN 3 -17.890 6.377 0.665
14 2HB ASN 3 HB1 ASN 3 -16.912 5.041 0.062
15 1HD2 ASN 3 1HD2 ASN 3 -18.655 5.095 -1.735
16 2HD2 ASN 3 2HD2 ASN 3 -20.077 4.207 -1.468
17 H TYR 4 HN TYR 4 -18.242 2.533 1.421
18 HA TYR 4 HA TYR 4 -16.392 0.830 2.725
19 1HB TYR 4 HB2 TYR 4 -17.307 -0.857 1.294
20 2HB TYR 4 HB1 TYR 4 -18.599 0.317 1.521
21 HD1 TYR 4 HD1 TYR 4 -16.161 -1.085 -0.846
22 HD2 TYR 4 HD2 TYR 4 -19.253 1.848 -0.295
23 HE1 TYR 4 HE1 TYR 4 -16.275 -0.744 -3.298
24 HE2 TYR 4 HE2 TYR 4 -19.365 2.187 -2.747
25 HH TYR 4 HH TYR 4 -18.506 0.297 -4.906
26 H VAL 5 HN VAL 5 -16.068 2.594 -0.339
27 HA VAL 5 HA VAL 5 -13.768 1.179 -1.337
28 HB VAL 5 HB VAL 5 -15.354 2.719 -2.579
29 1HG1 VAL 5 1HG1 VAL 5 -13.645 4.930 -1.408
30 2HG1 VAL 5 2HG1 VAL 5 -15.254 4.533 -0.805
31 3HG1 VAL 5 3HG1 VAL 5 -15.049 5.101 -2.463
32 1HG2 VAL 5 1HG2 VAL 5 -13.395 3.885 -3.844
33 2HG2 VAL 5 2HG2 VAL 5 -13.437 2.121 -3.801
34 3HG2 VAL 5 3HG2 VAL 5 -12.358 3.004 -2.721
35 H LEU 6 HN LEU 6 -14.119 3.953 0.876
36 HA LEU 6 HA LEU 6 -11.370 4.752 0.995
37 1HB LEU 6 HB2 LEU 6 -13.492 5.874 1.914
38 2HB LEU 6 HB1 LEU 6 -13.378 4.752 3.269
39 HG LEU 6 HG LEU 6 -10.797 5.754 3.060
40 1HD1 LEU 6 1HD1 LEU 6 -11.229 7.549 1.616
41 2HD1 LEU 6 2HD1 LEU 6 -11.399 8.297 3.205
42 3HD1 LEU 6 3HD1 LEU 6 -12.834 7.832 2.291
43 1HD2 LEU 6 1HD2 LEU 6 -12.308 5.339 5.081
44 2HD2 LEU 6 2HD2 LEU 6 -12.977 6.946 4.792
45 3HD2 LEU 6 3HD2 LEU 6 -11.268 6.759 5.182
46 H ASP 7 HN ASP 7 -13.218 2.304 2.811
47 HA ASP 7 HA ASP 7 -11.018 1.503 4.527
48 1HB ASP 7 HB2 ASP 7 -13.791 0.972 4.153
49 2HB ASP 7 HB1 ASP 7 -12.959 -0.578 4.037
50 H LEU 8 HN LEU 8 -12.245 0.479 1.360
51 HA LEU 8 HA LEU 8 -10.584 -1.883 1.100
52 1HB LEU 8 HB2 LEU 8 -12.612 -0.437 -0.336
53 2HB LEU 8 HB1 LEU 8 -11.279 -0.789 -1.435
54 HG LEU 8 HG LEU 8 -11.542 -3.149 -0.004
55 1HD1 LEU 8 1HD1 LEU 8 -13.685 -2.232 0.932
56 2HD1 LEU 8 2HD1 LEU 8 -13.909 -3.704 -0.013
57 3HD1 LEU 8 3HD1 LEU 8 -14.314 -2.137 -0.712
58 1HD2 LEU 8 1HD2 LEU 8 -12.997 -2.554 -2.594
59 2HD2 LEU 8 2HD2 LEU 8 -12.248 -4.070 -2.096
60 3HD2 LEU 8 3HD2 LEU 8 -11.240 -2.683 -2.509
61 H ILE 9 HN ILE 9 -10.110 1.550 0.328
62 HA ILE 9 HA ILE 9 -7.931 1.463 -1.452
63 HB ILE 9 HB ILE 9 -8.712 3.259 0.847
64 1HG1 ILE 9 2HG1 ILE 9 -10.012 3.169 -1.328
65 2HG1 ILE 9 1HG1 ILE 9 -9.394 4.761 -0.903
66 1HG2 ILE 9 1HG2 ILE 9 -6.345 3.566 0.811
67 2HG2 ILE 9 2HG2 ILE 9 -7.010 4.896 -0.138
68 3HG2 ILE 9 3HG2 ILE 9 -6.292 3.506 -0.952
69 1HD1 ILE 9 1HD1 ILE 9 -8.956 3.365 -3.310
70 2HD1 ILE 9 2HD1 ILE 9 -7.423 3.295 -2.441
71 3HD1 ILE 9 3HD1 ILE 9 -8.168 4.855 -2.791
72 H TYR 10 HN TYR 10 -8.027 0.724 1.981
73 HA TYR 10 HA TYR 10 -5.292 0.783 2.691
74 1HB TYR 10 HB2 TYR 10 -6.180 -0.125 4.588
75 2HB TYR 10 HB1 TYR 10 -7.732 -0.059 3.768
76 HD1 TYR 10 HD1 TYR 10 -8.798 -2.071 2.924
77 HD2 TYR 10 HD2 TYR 10 -4.844 -2.226 4.595
78 HE1 TYR 10 HE1 TYR 10 -8.917 -4.542 2.971
79 HE2 TYR 10 HE2 TYR 10 -4.963 -4.702 4.642
80 HH TYR 10 HH TYR 10 -6.586 -6.488 3.034
81 H SER 11 HN SER 11 -7.134 -1.801 1.042
82 HA SER 11 HA SER 11 -4.891 -3.633 0.803
83 1HB SER 11 HB2 SER 11 -7.396 -4.131 0.727
84 2HB SER 11 HB1 SER 11 -7.406 -3.438 -0.892
85 HG SER 11 HG SER 11 -5.856 -5.019 -1.482
86 H LEU 12 HN LEU 12 -6.351 -1.136 -1.267
87 HA LEU 12 HA LEU 12 -4.796 -1.603 -3.629
88 1HB LEU 12 HB2 LEU 12 -6.636 0.366 -2.504
89 2HB LEU 12 HB1 LEU 12 -5.367 1.143 -3.446
90 HG LEU 12 HG LEU 12 -7.156 -1.110 -4.406
91 1HD1 LEU 12 1HD1 LEU 12 -8.175 0.559 -5.832
92 2HD1 LEU 12 2HD1 LEU 12 -7.017 1.781 -5.306
93 3HD1 LEU 12 3HD1 LEU 12 -8.220 1.162 -4.175
94 1HD2 LEU 12 1HD2 LEU 12 -5.015 -1.321 -5.484
95 2HD2 LEU 12 2HD2 LEU 12 -4.892 0.424 -5.716
96 3HD2 LEU 12 3HD2 LEU 12 -6.075 -0.507 -6.634
97 H HIS 13 HN HIS 13 -4.202 0.250 -0.682
98 HA HIS 13 HA HIS 13 -1.777 1.550 -1.606
99 1HB HIS 13 HB2 HIS 13 -3.481 2.057 0.351
100 2HB HIS 13 HB1 HIS 13 -2.422 0.992 1.277
101 HD1 HIS 13 HD1 HIS 13 0.050 1.771 1.635
102 HD2 HIS 13 HD2 HIS 13 -2.330 4.559 -0.346
103 HE1 HIS 13 HE1 HIS 13 1.344 3.945 1.638
104 H LYS 14 HN LYS 14 -2.515 -1.566 -0.124
105 HA LYS 14 HA LYS 14 0.048 -2.271 0.902
106 1HB LYS 14 HB2 LYS 14 -2.493 -3.487 0.305
107 2HB LYS 14 HB1 LYS 14 -1.207 -4.551 -0.265
108 1HG LYS 14 HG2 LYS 14 -1.654 -5.131 2.031
109 2HG LYS 14 HG1 LYS 14 -0.107 -4.282 1.994
110 1HD LYS 14 HD2 LYS 14 -1.165 -2.214 2.703
111 2HD LYS 14 HD1 LYS 14 -2.762 -2.952 2.595
112 1HE LYS 14 HE2 LYS 14 -2.564 -3.723 4.715
113 2HE LYS 14 HE1 LYS 14 -1.090 -4.603 4.267
114 1HZ LYS 14 HZ1 LYS 14 0.148 -2.510 4.461
115 2HZ LYS 14 HZ2 LYS 14 -0.579 -2.942 5.934
116 3HZ LYS 14 HZ3 LYS 14 -1.262 -1.718 4.975
117 H GLN 15 HN GLN 15 -1.235 -2.291 -2.378
118 HA GLN 15 HA GLN 15 0.847 -3.827 -3.634
119 1HB GLN 15 HB2 GLN 15 -1.243 -1.834 -4.462
120 2HB GLN 15 HB1 GLN 15 -0.020 -2.315 -5.638
121 1HG GLN 15 HG2 GLN 15 -1.659 -4.321 -4.068
122 2HG GLN 15 HG1 GLN 15 -2.148 -3.713 -5.650
123 1HE2 GLN 15 1HE2 GLN 15 0.049 -5.887 -4.000
124 2HE2 GLN 15 2HE2 GLN 15 0.802 -6.495 -5.393
125 H ILE 16 HN ILE 16 0.670 -0.516 -2.542
126 HA ILE 16 HA ILE 16 3.042 0.362 -4.054
127 HB ILE 16 HB ILE 16 1.157 1.557 -2.010
128 1HG1 ILE 16 2HG1 ILE 16 1.663 2.923 -4.561
129 2HG1 ILE 16 1HG1 ILE 16 1.030 1.290 -4.761
130 1HG2 ILE 16 1HG2 ILE 16 3.743 2.685 -3.092
131 2HG2 ILE 16 2HG2 ILE 16 3.205 2.599 -1.414
132 3HG2 ILE 16 3HG2 ILE 16 2.439 3.731 -2.528
133 1HD1 ILE 16 1HD1 ILE 16 -0.862 1.792 -3.318
134 2HD1 ILE 16 2HD1 ILE 16 -0.769 3.020 -4.580
135 3HD1 ILE 16 3HD1 ILE 16 -0.202 3.386 -2.952
136 H ASN 17 HN ASN 17 2.198 -0.733 -0.816
137 HA ASN 17 HA ASN 17 4.735 -0.051 0.438
138 1HB ASN 17 HB2 ASN 17 2.178 -0.863 1.191
139 2HB ASN 17 HB1 ASN 17 3.186 -2.249 1.607
140 1HD2 ASN 17 1HD2 ASN 17 2.635 1.192 2.290
141 2HD2 ASN 17 2HD2 ASN 17 3.616 1.251 3.673
142 H ARG 18 HN ARG 18 3.360 -3.021 -1.009
143 HA ARG 18 HA ARG 18 5.513 -4.789 -0.318
144 1HB ARG 18 HB2 ARG 18 4.525 -6.210 -2.079
145 2HB ARG 18 HB1 ARG 18 3.262 -5.482 -1.091
146 1HG ARG 18 HG2 ARG 18 2.344 -4.769 -3.024
147 2HG ARG 18 HG1 ARG 18 3.667 -3.609 -3.107
148 1HD ARG 18 HD2 ARG 18 5.009 -5.575 -4.199
149 2HD ARG 18 HD1 ARG 18 3.402 -6.263 -4.507
150 HE ARG 18 HE ARG 18 3.508 -3.451 -5.228
151 1HH1 ARG 18 1HH1 ARG 18 5.880 -4.659 -6.650
152 2HH1 ARG 18 2HH1 ARG 18 5.174 -5.174 -8.145
153 1HH2 ARG 18 1HH2 ARG 18 1.908 -4.976 -6.978
154 2HH2 ARG 18 2HH2 ARG 18 2.920 -5.353 -8.331
155 H GLY 19 HN GLY 19 5.184 -2.387 -2.874
156 1HA GLY 19 HA2 GLY 19 7.640 -3.364 -4.226
157 2HA GLY 19 HA1 GLY 19 6.570 -2.096 -4.827
158 H LEU 20 HN LEU 20 6.603 -0.997 -1.921
159 HA LEU 20 HA LEU 20 8.886 0.813 -2.329
160 1HB LEU 20 HB2 LEU 20 6.799 1.783 -1.679
161 2HB LEU 20 HB1 LEU 20 6.560 0.589 -0.407
162 HG LEU 20 HG LEU 20 8.479 1.516 0.835
163 1HD1 LEU 20 1HD1 LEU 20 8.688 3.188 -1.646
164 2HD1 LEU 20 2HD1 LEU 20 9.968 2.449 -0.686
165 3HD1 LEU 20 3HD1 LEU 20 9.161 3.905 -0.105
166 1HD2 LEU 20 1HD2 LEU 20 6.503 3.662 -0.004
167 2HD2 LEU 20 2HD2 LEU 20 7.424 3.620 1.500
168 3HD2 LEU 20 3HD2 LEU 20 6.179 2.410 1.194
169 H LYS 21 HN LYS 21 7.858 -1.680 -0.030
170 HA LYS 21 HA LYS 21 9.880 -1.368 1.943
171 1HB LYS 21 HB2 LYS 21 7.781 -2.756 2.024
172 2HB LYS 21 HB1 LYS 21 8.577 -3.924 0.969
173 1HG LYS 21 HG2 LYS 21 10.483 -3.843 2.774
174 2HG LYS 21 HG1 LYS 21 9.211 -3.214 3.819
175 1HD LYS 21 HD2 LYS 21 8.005 -5.373 2.529
176 2HD LYS 21 HD1 LYS 21 9.641 -5.940 2.865
177 1HE LYS 21 HE2 LYS 21 8.494 -6.483 4.856
178 2HE LYS 21 HE1 LYS 21 9.211 -4.909 5.255
179 1HZ LYS 21 HZ1 LYS 21 7.160 -3.848 4.444
180 2HZ LYS 21 HZ2 LYS 21 6.866 -4.875 5.765
181 3HZ LYS 21 HZ3 LYS 21 6.472 -5.378 4.192
182 H LYS 22 HN LYS 22 9.879 -3.356 -1.022
183 HA LYS 22 HA LYS 22 12.428 -4.591 -0.613
184 1HB LYS 22 HB2 LYS 22 12.257 -5.063 -3.046
185 2HB LYS 22 HB1 LYS 22 10.733 -5.370 -2.218
186 1HG LYS 22 HG2 LYS 22 9.754 -4.007 -3.725
187 2HG LYS 22 HG1 LYS 22 10.596 -2.669 -2.944
188 1HD LYS 22 HD2 LYS 22 11.587 -2.348 -4.956
189 2HD LYS 22 HD1 LYS 22 12.568 -3.753 -4.542
190 1HE LYS 22 HE2 LYS 22 10.798 -5.214 -5.601
191 2HE LYS 22 HE1 LYS 22 10.007 -3.732 -6.173
192 1HZ LYS 22 HZ1 LYS 22 11.550 -4.526 -7.840
193 2HZ LYS 22 HZ2 LYS 22 12.819 -4.541 -6.712
194 3HZ LYS 22 HZ3 LYS 22 12.121 -3.067 -7.192
195 H ILE 23 HN ILE 23 11.566 -1.401 -1.797
196 HA ILE 23 HA ILE 23 14.157 -0.802 -2.991
197 HB ILE 23 HB ILE 23 11.840 0.909 -2.024
198 1HG1 ILE 23 2HG1 ILE 23 11.288 -0.631 -3.878
199 2HG1 ILE 23 1HG1 ILE 23 11.284 1.043 -4.428
200 1HG2 ILE 23 1HG2 ILE 23 14.393 1.602 -3.466
201 2HG2 ILE 23 2HG2 ILE 23 13.643 2.417 -2.095
202 3HG2 ILE 23 3HG2 ILE 23 12.936 2.567 -3.703
203 1HD1 ILE 23 1HD1 ILE 23 13.514 -0.977 -4.814
204 2HD1 ILE 23 2HD1 ILE 23 13.627 0.727 -5.254
205 3HD1 ILE 23 3HD1 ILE 23 12.463 -0.318 -6.066
206 H VAL 24 HN VAL 24 12.611 -0.275 0.148
207 HA VAL 24 HA VAL 24 14.801 1.262 1.293
208 HB VAL 24 HB VAL 24 12.476 -0.279 2.503
209 1HG1 VAL 24 1HG1 VAL 24 14.264 1.847 3.725
210 2HG1 VAL 24 2HG1 VAL 24 14.270 0.136 4.149
211 3HG1 VAL 24 3HG1 VAL 24 12.852 1.125 4.497
212 1HG2 VAL 24 1HG2 VAL 24 11.409 1.944 2.635
213 2HG2 VAL 24 2HG2 VAL 24 11.809 1.545 0.965
214 3HG2 VAL 24 3HG2 VAL 24 12.820 2.672 1.870
215 H LEU 25 HN LEU 25 13.711 -2.119 1.510
216 HA LEU 25 HA LEU 25 15.804 -3.042 3.273
217 1HB LEU 25 HB2 LEU 25 14.014 -4.418 1.238
218 2HB LEU 25 HB1 LEU 25 15.025 -5.283 2.393
219 HG LEU 25 HG LEU 25 12.833 -3.310 3.090
220 1HD1 LEU 25 1HD1 LEU 25 11.977 -5.467 2.253
221 2HD1 LEU 25 2HD1 LEU 25 11.677 -5.308 3.985
222 3HD1 LEU 25 3HD1 LEU 25 12.998 -6.326 3.408
223 1HD2 LEU 25 1HD2 LEU 25 13.282 -4.321 5.427
224 2HD2 LEU 25 2HD2 LEU 25 14.462 -3.160 4.816
225 3HD2 LEU 25 3HD2 LEU 25 14.809 -4.888 4.750
226 H GLY 26 HN GLY 26 15.476 -2.862 -0.260
227 1HA GLY 26 HA2 GLY 26 17.808 -4.359 -0.950
228 2HA GLY 26 HA1 GLY 26 17.050 -3.143 -1.975
229 H TRP 27 HN TRP 27 17.457 -1.099 0.282
230 HA TRP 27 HA TRP 27 20.288 -0.460 -0.425
231 1HB TRP 27 HB2 TRP 27 17.785 1.028 0.223
232 2HB TRP 27 HB1 TRP 27 19.307 1.785 0.694
233 HD1 TRP 27 HD1 TRP 27 17.264 0.781 -2.337
234 HE1 TRP 27 HE1 TRP 27 18.341 1.782 -4.453
235 HE3 TRP 27 HE3 TRP 27 21.622 2.555 -0.352
236 HZ2 TRP 27 HZ2 TRP 27 20.736 3.154 -5.206
237 HZ3 TRP 27 HZ3 TRP 27 23.282 3.703 -1.790
238 HH2 TRP 27 HH2 TRP 27 22.845 4.004 -4.212
239 H ALA 28 HN ALA 28 18.081 -0.514 2.407
240 HA ALA 28 HA ALA 28 20.508 -0.591 4.177
241 1HB ALA 28 HB1 ALA 28 19.189 1.431 4.438
242 2HB ALA 28 HB2 ALA 28 18.917 0.417 5.855
243 3HB ALA 28 HB3 ALA 28 17.703 0.491 4.578
Start of MODEL 21
1 1H SER 1 HT1 SER 1 -16.216 10.453 -2.920
2 2H SER 1 HT2 SER 1 -16.977 8.995 -3.339
3 3H SER 1 HT3 SER 1 -15.571 9.486 -4.155
4 HA SER 1 HA SER 1 -15.009 7.750 -2.578
5 1HB SER 1 HB2 SER 1 -13.580 9.811 -3.114
6 2HB SER 1 HB1 SER 1 -14.121 10.468 -1.573
7 HG SER 1 HG SER 1 -12.322 9.385 -1.046
8 H GLY 2 HN GLY 2 -16.286 6.747 -1.029
9 1HA GLY 2 HA2 GLY 2 -17.223 8.416 1.272
10 2HA GLY 2 HA1 GLY 2 -18.103 7.011 0.670
11 H ASN 3 HN ASN 3 -18.000 5.807 2.582
12 HA ASN 3 HA ASN 3 -15.430 5.334 3.942
13 1HB ASN 3 HB2 ASN 3 -18.069 5.418 4.681
14 2HB ASN 3 HB1 ASN 3 -17.802 3.678 4.573
15 1HD2 ASN 3 1HD2 ASN 3 -15.461 3.079 5.637
16 2HD2 ASN 3 2HD2 ASN 3 -15.209 3.778 7.163
17 H TYR 4 HN TYR 4 -17.521 3.639 1.643
18 HA TYR 4 HA TYR 4 -16.460 0.997 1.937
19 1HB TYR 4 HB2 TYR 4 -18.540 1.476 0.785
20 2HB TYR 4 HB1 TYR 4 -17.709 2.496 -0.387
21 HD1 TYR 4 HD1 TYR 4 -17.741 -1.009 0.942
22 HD2 TYR 4 HD2 TYR 4 -16.931 1.572 -2.395
23 HE1 TYR 4 HE1 TYR 4 -17.311 -2.989 -0.486
24 HE2 TYR 4 HE2 TYR 4 -16.503 -0.408 -3.823
25 HH TYR 4 HH TYR 4 -17.475 -3.202 -3.426
26 H VAL 5 HN VAL 5 -15.649 3.474 -0.559
27 HA VAL 5 HA VAL 5 -13.475 1.989 -1.700
28 HB VAL 5 HB VAL 5 -12.903 4.150 -2.749
29 1HG1 VAL 5 1HG1 VAL 5 -14.865 4.360 -3.997
30 2HG1 VAL 5 2HG1 VAL 5 -15.905 4.122 -2.593
31 3HG1 VAL 5 3HG1 VAL 5 -15.050 2.751 -3.300
32 1HG2 VAL 5 1HG2 VAL 5 -14.737 5.234 -0.602
33 2HG2 VAL 5 2HG2 VAL 5 -14.410 6.131 -2.085
34 3HG2 VAL 5 3HG2 VAL 5 -13.090 5.732 -0.988
35 H LEU 6 HN LEU 6 -13.513 4.471 0.895
36 HA LEU 6 HA LEU 6 -10.700 4.728 1.265
37 1HB LEU 6 HB2 LEU 6 -13.193 5.317 2.672
38 2HB LEU 6 HB1 LEU 6 -11.910 4.872 3.797
39 HG LEU 6 HG LEU 6 -10.441 6.510 2.383
40 1HD1 LEU 6 1HD1 LEU 6 -12.519 6.683 0.749
41 2HD1 LEU 6 2HD1 LEU 6 -11.517 8.098 1.071
42 3HD1 LEU 6 3HD1 LEU 6 -13.057 7.898 1.908
43 1HD2 LEU 6 1HD2 LEU 6 -12.609 7.277 4.344
44 2HD2 LEU 6 2HD2 LEU 6 -11.449 8.461 3.744
45 3HD2 LEU 6 3HD2 LEU 6 -10.885 7.057 4.649
46 H ASP 7 HN ASP 7 -13.010 2.340 2.543
47 HA ASP 7 HA ASP 7 -11.148 0.917 4.231
48 1HB ASP 7 HB2 ASP 7 -13.869 0.893 3.604
49 2HB ASP 7 HB1 ASP 7 -13.292 -0.646 2.970
50 H LEU 8 HN LEU 8 -12.173 0.585 0.843
51 HA LEU 8 HA LEU 8 -10.687 -1.811 0.239
52 1HB LEU 8 HB2 LEU 8 -12.420 0.104 -1.025
53 2HB LEU 8 HB1 LEU 8 -11.030 -0.182 -2.069
54 HG LEU 8 HG LEU 8 -11.633 -2.725 -1.184
55 1HD1 LEU 8 1HD1 LEU 8 -14.232 -1.247 -1.720
56 2HD1 LEU 8 2HD1 LEU 8 -13.725 -1.881 -0.155
57 3HD1 LEU 8 3HD1 LEU 8 -14.062 -2.987 -1.486
58 1HD2 LEU 8 1HD2 LEU 8 -12.563 -3.032 -3.474
59 2HD2 LEU 8 2HD2 LEU 8 -11.077 -2.084 -3.490
60 3HD2 LEU 8 3HD2 LEU 8 -12.638 -1.281 -3.662
61 H ILE 9 HN ILE 9 -9.827 1.634 0.219
62 HA ILE 9 HA ILE 9 -7.496 1.649 -1.364
63 HB ILE 9 HB ILE 9 -8.230 3.037 1.229
64 1HG1 ILE 9 2HG1 ILE 9 -9.566 3.448 -0.891
65 2HG1 ILE 9 1HG1 ILE 9 -8.830 4.885 -0.188
66 1HG2 ILE 9 1HG2 ILE 9 -5.801 3.380 -0.529
67 2HG2 ILE 9 2HG2 ILE 9 -5.877 3.239 1.228
68 3HG2 ILE 9 3HG2 ILE 9 -6.426 4.717 0.438
69 1HD1 ILE 9 1HD1 ILE 9 -8.516 4.789 -2.652
70 2HD1 ILE 9 2HD1 ILE 9 -7.649 3.264 -2.467
71 3HD1 ILE 9 3HD1 ILE 9 -6.977 4.748 -1.792
72 H TYR 10 HN TYR 10 -8.011 0.260 1.817
73 HA TYR 10 HA TYR 10 -5.354 -0.077 2.743
74 1HB TYR 10 HB2 TYR 10 -6.480 -1.189 4.383
75 2HB TYR 10 HB1 TYR 10 -7.935 -0.758 3.503
76 HD1 TYR 10 HD1 TYR 10 -9.053 -2.416 2.020
77 HD2 TYR 10 HD2 TYR 10 -5.587 -3.446 4.340
78 HE1 TYR 10 HE1 TYR 10 -9.529 -4.817 1.662
79 HE2 TYR 10 HE2 TYR 10 -6.062 -5.851 3.975
80 HH TYR 10 HH TYR 10 -7.860 -7.049 1.691
81 H SER 11 HN SER 11 -7.230 -2.048 0.440
82 HA SER 11 HA SER 11 -5.195 -4.117 0.144
83 1HB SER 11 HB2 SER 11 -7.703 -4.277 -0.278
84 2HB SER 11 HB1 SER 11 -7.449 -3.316 -1.731
85 HG SER 11 HG SER 11 -6.689 -5.944 -1.134
86 H LEU 12 HN LEU 12 -6.140 -1.192 -1.659
87 HA LEU 12 HA LEU 12 -4.295 -1.465 -3.844
88 1HB LEU 12 HB2 LEU 12 -6.306 0.292 -2.921
89 2HB LEU 12 HB1 LEU 12 -4.849 1.276 -3.034
90 HG LEU 12 HG LEU 12 -6.139 1.273 -5.152
91 1HD1 LEU 12 1HD1 LEU 12 -3.707 1.585 -5.236
92 2HD1 LEU 12 2HD1 LEU 12 -4.248 0.662 -6.638
93 3HD1 LEU 12 3HD1 LEU 12 -3.469 -0.162 -5.287
94 1HD2 LEU 12 1HD2 LEU 12 -5.360 -1.620 -5.499
95 2HD2 LEU 12 2HD2 LEU 12 -6.564 -0.686 -6.387
96 3HD2 LEU 12 3HD2 LEU 12 -6.887 -1.187 -4.727
97 H HIS 13 HN HIS 13 -4.077 0.163 -0.696
98 HA HIS 13 HA HIS 13 -1.453 1.289 -1.057
99 1HB HIS 13 HB2 HIS 13 -3.447 1.588 0.721
100 2HB HIS 13 HB1 HIS 13 -2.445 0.464 1.638
101 HD1 HIS 13 HD1 HIS 13 0.098 1.233 2.048
102 HD2 HIS 13 HD2 HIS 13 -2.469 4.203 0.643
103 HE1 HIS 13 HE1 HIS 13 1.265 3.443 2.456
104 H LYS 14 HN LYS 14 -2.590 -1.873 0.091
105 HA LYS 14 HA LYS 14 -0.183 -2.831 1.272
106 1HB LYS 14 HB2 LYS 14 -2.413 -3.902 1.414
107 2HB LYS 14 HB1 LYS 14 -2.333 -4.289 -0.304
108 1HG LYS 14 HG2 LYS 14 -1.696 -6.226 1.129
109 2HG LYS 14 HG1 LYS 14 -0.382 -5.715 0.070
110 1HD LYS 14 HD2 LYS 14 0.773 -4.634 1.842
111 2HD LYS 14 HD1 LYS 14 -0.640 -4.678 2.897
112 1HE LYS 14 HE2 LYS 14 0.455 -7.290 1.898
113 2HE LYS 14 HE1 LYS 14 1.311 -6.458 3.211
114 1HZ LYS 14 HZ1 LYS 14 -0.394 -7.832 4.166
115 2HZ LYS 14 HZ2 LYS 14 -1.577 -7.172 3.142
116 3HZ LYS 14 HZ3 LYS 14 -0.860 -6.212 4.347
117 H GLN 15 HN GLN 15 -1.177 -2.606 -2.107
118 HA GLN 15 HA GLN 15 1.093 -4.160 -3.118
119 1HB GLN 15 HB2 GLN 15 -1.321 -3.662 -4.099
120 2HB GLN 15 HB1 GLN 15 -0.517 -2.242 -4.771
121 1HG GLN 15 HG2 GLN 15 0.938 -3.519 -6.084
122 2HG GLN 15 HG1 GLN 15 0.754 -4.950 -5.071
123 1HE2 GLN 15 1HE2 GLN 15 -1.863 -5.546 -4.986
124 2HE2 GLN 15 2HE2 GLN 15 -2.554 -5.671 -6.530
125 H ILE 16 HN ILE 16 0.403 -0.814 -2.384
126 HA ILE 16 HA ILE 16 2.725 0.250 -3.844
127 HB ILE 16 HB ILE 16 0.694 1.378 -1.888
128 1HG1 ILE 16 2HG1 ILE 16 1.039 2.056 -4.811
129 2HG1 ILE 16 1HG1 ILE 16 0.080 0.665 -4.306
130 1HG2 ILE 16 1HG2 ILE 16 2.976 2.728 -3.352
131 2HG2 ILE 16 2HG2 ILE 16 2.650 2.735 -1.619
132 3HG2 ILE 16 3HG2 ILE 16 1.590 3.617 -2.718
133 1HD1 ILE 16 1HD1 ILE 16 -0.483 3.566 -3.990
134 2HD1 ILE 16 2HD1 ILE 16 -0.947 2.525 -2.643
135 3HD1 ILE 16 3HD1 ILE 16 -1.598 2.225 -4.254
136 H ASN 17 HN ASN 17 1.797 -0.499 -0.516
137 HA ASN 17 HA ASN 17 4.201 0.515 0.742
138 1HB ASN 17 HB2 ASN 17 1.678 -0.461 1.464
139 2HB ASN 17 HB1 ASN 17 2.802 -1.637 2.138
140 1HD2 ASN 17 1HD2 ASN 17 2.905 1.968 1.763
141 2HD2 ASN 17 2HD2 ASN 17 3.308 2.263 3.386
142 H ARG 18 HN ARG 18 3.160 -2.757 -0.309
143 HA ARG 18 HA ARG 18 5.407 -4.201 0.706
144 1HB ARG 18 HB2 ARG 18 4.703 -5.911 -0.926
145 2HB ARG 18 HB1 ARG 18 3.302 -5.200 -0.133
146 1HG ARG 18 HG2 ARG 18 2.549 -5.010 -2.287
147 2HG ARG 18 HG1 ARG 18 3.509 -3.533 -2.253
148 1HD ARG 18 HD2 ARG 18 4.297 -4.582 -4.208
149 2HD ARG 18 HD1 ARG 18 5.473 -5.143 -3.004
150 HE ARG 18 HE ARG 18 3.190 -6.750 -4.050
151 1HH1 ARG 18 1HH1 ARG 18 6.116 -7.515 -4.314
152 2HH1 ARG 18 2HH1 ARG 18 6.273 -8.710 -3.071
153 1HH2 ARG 18 1HH2 ARG 18 3.321 -7.805 -1.471
154 2HH2 ARG 18 2HH2 ARG 18 4.684 -8.873 -1.450
155 H GLY 19 HN GLY 19 5.026 -2.325 -2.284
156 1HA GLY 19 HA2 GLY 19 7.589 -3.224 -3.382
157 2HA GLY 19 HA1 GLY 19 6.557 -1.959 -4.054
158 H LEU 20 HN LEU 20 6.338 -0.442 -1.583
159 HA LEU 20 HA LEU 20 8.532 1.341 -1.801
160 1HB LEU 20 HB2 LEU 20 6.269 1.765 -0.807
161 2HB LEU 20 HB1 LEU 20 6.729 0.782 0.579
162 HG LEU 20 HG LEU 20 6.982 3.301 0.870
163 1HD1 LEU 20 1HD1 LEU 20 8.648 2.961 2.391
164 2HD1 LEU 20 2HD1 LEU 20 9.697 2.159 1.223
165 3HD1 LEU 20 3HD1 LEU 20 8.369 1.271 1.971
166 1HD2 LEU 20 1HD2 LEU 20 8.767 4.443 -0.206
167 2HD2 LEU 20 2HD2 LEU 20 7.973 3.538 -1.494
168 3HD2 LEU 20 3HD2 LEU 20 9.478 2.941 -0.794
169 H LYS 21 HN LYS 21 7.901 -1.070 0.760
170 HA LYS 21 HA LYS 21 10.399 -0.710 2.106
171 1HB LYS 21 HB2 LYS 21 9.768 -2.853 3.207
172 2HB LYS 21 HB1 LYS 21 8.415 -1.730 3.128
173 1HG LYS 21 HG2 LYS 21 7.269 -3.470 2.230
174 2HG LYS 21 HG1 LYS 21 8.155 -3.101 0.752
175 1HD LYS 21 HD2 LYS 21 9.287 -5.042 0.869
176 2HD LYS 21 HD1 LYS 21 9.796 -4.699 2.522
177 1HE LYS 21 HE2 LYS 21 7.023 -5.356 2.638
178 2HE LYS 21 HE1 LYS 21 7.817 -6.589 1.640
179 1HZ LYS 21 HZ1 LYS 21 9.536 -6.802 3.334
180 2HZ LYS 21 HZ2 LYS 21 8.005 -7.134 3.992
181 3HZ LYS 21 HZ3 LYS 21 8.758 -5.642 4.299
182 H LYS 22 HN LYS 22 9.491 -2.691 -0.654
183 HA LYS 22 HA LYS 22 11.794 -4.436 -0.663
184 1HB LYS 22 HB2 LYS 22 9.852 -5.081 -1.879
185 2HB LYS 22 HB1 LYS 22 9.730 -3.512 -2.669
186 1HG LYS 22 HG2 LYS 22 12.290 -4.785 -3.231
187 2HG LYS 22 HG1 LYS 22 10.938 -5.807 -3.719
188 1HD LYS 22 HD2 LYS 22 10.307 -4.394 -5.383
189 2HD LYS 22 HD1 LYS 22 10.599 -2.959 -4.400
190 1HE LYS 22 HE2 LYS 22 13.008 -3.109 -4.822
191 2HE LYS 22 HE1 LYS 22 12.775 -4.613 -5.735
192 1HZ LYS 22 HZ1 LYS 22 12.833 -2.524 -7.114
193 2HZ LYS 22 HZ2 LYS 22 11.357 -2.088 -6.395
194 3HZ LYS 22 HZ3 LYS 22 11.462 -3.499 -7.338
195 H ILE 23 HN ILE 23 11.126 -1.252 -2.066
196 HA ILE 23 HA ILE 23 13.475 -1.033 -3.707
197 HB ILE 23 HB ILE 23 11.668 0.978 -2.325
198 1HG1 ILE 23 2HG1 ILE 23 11.814 0.461 -5.282
199 2HG1 ILE 23 1HG1 ILE 23 10.934 -0.672 -4.256
200 1HG2 ILE 23 1HG2 ILE 23 12.638 2.560 -4.101
201 2HG2 ILE 23 2HG2 ILE 23 13.938 1.383 -4.284
202 3HG2 ILE 23 3HG2 ILE 23 13.686 2.182 -2.733
203 1HD1 ILE 23 1HD1 ILE 23 9.572 1.183 -3.367
204 2HD1 ILE 23 2HD1 ILE 23 9.428 1.082 -5.121
205 3HD1 ILE 23 3HD1 ILE 23 10.450 2.320 -4.390
206 H VAL 24 HN VAL 24 12.803 -0.070 -0.347
207 HA VAL 24 HA VAL 24 15.506 0.951 0.112
208 HB VAL 24 HB VAL 24 13.162 0.275 1.923
209 1HG1 VAL 24 1HG1 VAL 24 15.889 1.397 2.479
210 2HG1 VAL 24 2HG1 VAL 24 14.923 0.280 3.443
211 3HG1 VAL 24 3HG1 VAL 24 14.515 1.995 3.412
212 1HG2 VAL 24 1HG2 VAL 24 14.214 2.912 0.842
213 2HG2 VAL 24 2HG2 VAL 24 12.861 2.735 1.960
214 3HG2 VAL 24 3HG2 VAL 24 12.737 2.102 0.320
215 H LEU 25 HN LEU 25 13.787 -2.076 0.584
216 HA LEU 25 HA LEU 25 15.637 -3.376 2.358
217 1HB LEU 25 HB2 LEU 25 13.405 -4.209 2.066
218 2HB LEU 25 HB1 LEU 25 13.595 -4.296 0.316
219 HG LEU 25 HG LEU 25 15.337 -6.052 0.626
220 1HD1 LEU 25 1HD1 LEU 25 16.187 -5.612 2.807
221 2HD1 LEU 25 2HD1 LEU 25 15.315 -7.138 2.958
222 3HD1 LEU 25 3HD1 LEU 25 14.576 -5.639 3.523
223 1HD2 LEU 25 1HD2 LEU 25 13.789 -7.833 1.108
224 2HD2 LEU 25 2HD2 LEU 25 12.870 -6.555 0.312
225 3HD2 LEU 25 3HD2 LEU 25 12.763 -6.759 2.060
226 H GLY 26 HN GLY 26 15.355 -3.376 -1.221
227 1HA GLY 26 HA2 GLY 26 17.977 -4.787 -1.380
228 2HA GLY 26 HA1 GLY 26 16.820 -4.637 -2.704
229 H TRP 27 HN TRP 27 16.499 -2.412 -3.589
230 HA TRP 27 HA TRP 27 18.417 -0.307 -2.995
231 1HB TRP 27 HB2 TRP 27 19.714 -0.532 -5.086
232 2HB TRP 27 HB1 TRP 27 19.860 -1.990 -4.109
233 HD1 TRP 27 HD1 TRP 27 18.622 -4.185 -4.960
234 HE1 TRP 27 HE1 TRP 27 17.721 -4.864 -7.278
235 HE3 TRP 27 HE3 TRP 27 18.608 0.369 -7.270
236 HZ2 TRP 27 HZ2 TRP 27 17.080 -3.637 -9.783
237 HZ3 TRP 27 HZ3 TRP 27 17.849 0.585 -9.618
238 HH2 TRP 27 HH2 TRP 27 17.085 -1.410 -10.877
239 H ALA 28 HN ALA 28 18.151 1.539 -4.550
240 HA ALA 28 HA ALA 28 15.435 1.498 -5.830
241 1HB ALA 28 HB1 ALA 28 17.052 3.783 -4.650
242 2HB ALA 28 HB2 ALA 28 15.738 2.940 -3.828
243 3HB ALA 28 HB3 ALA 28 15.405 3.898 -5.271
Start of MODEL 22
1 1H SER 1 HT1 SER 1 -22.854 -0.109 4.159
2 2H SER 1 HT2 SER 1 -21.661 0.138 2.975
3 3H SER 1 HT3 SER 1 -22.791 -1.116 2.795
4 HA SER 1 HA SER 1 -23.704 0.443 1.393
5 1HB SER 1 HB2 SER 1 -25.479 1.606 2.942
6 2HB SER 1 HB1 SER 1 -25.456 -0.150 2.832
7 HG SER 1 HG SER 1 -25.513 0.522 4.999
8 H GLY 2 HN GLY 2 -22.483 2.106 4.330
9 1HA GLY 2 HA2 GLY 2 -22.541 4.717 2.985
10 2HA GLY 2 HA1 GLY 2 -21.947 4.402 4.617
11 H ASN 3 HN ASN 3 -19.789 3.442 4.830
12 HA ASN 3 HA ASN 3 -17.948 4.434 2.738
13 1HB ASN 3 HB2 ASN 3 -16.255 4.011 4.459
14 2HB ASN 3 HB1 ASN 3 -17.624 4.857 5.176
15 1HD2 ASN 3 1HD2 ASN 3 -15.741 1.934 5.300
16 2HD2 ASN 3 2HD2 ASN 3 -16.655 1.153 6.497
17 H TYR 4 HN TYR 4 -16.309 3.050 1.785
18 HA TYR 4 HA TYR 4 -16.383 0.147 2.133
19 1HB TYR 4 HB2 TYR 4 -18.445 0.491 0.869
20 2HB TYR 4 HB1 TYR 4 -17.591 1.478 -0.316
21 HD1 TYR 4 HD1 TYR 4 -16.839 0.464 -2.273
22 HD2 TYR 4 HD2 TYR 4 -17.402 -1.933 1.247
23 HE1 TYR 4 HE1 TYR 4 -16.274 -1.573 -3.569
24 HE2 TYR 4 HE2 TYR 4 -16.838 -3.969 -0.049
25 HH TYR 4 HH TYR 4 -17.022 -4.393 -2.975
26 H VAL 5 HN VAL 5 -15.752 2.338 -0.640
27 HA VAL 5 HA VAL 5 -13.351 1.095 -1.504
28 HB VAL 5 HB VAL 5 -14.555 3.855 -1.768
29 1HG1 VAL 5 1HG1 VAL 5 -12.838 4.177 -3.620
30 2HG1 VAL 5 2HG1 VAL 5 -11.956 2.818 -2.924
31 3HG1 VAL 5 3HG1 VAL 5 -12.202 4.285 -1.978
32 1HG2 VAL 5 1HG2 VAL 5 -14.122 1.524 -3.662
33 2HG2 VAL 5 2HG2 VAL 5 -14.860 3.062 -4.111
34 3HG2 VAL 5 3HG2 VAL 5 -15.656 2.009 -2.942
35 H LEU 6 HN LEU 6 -13.793 3.887 0.722
36 HA LEU 6 HA LEU 6 -11.098 4.583 1.157
37 1HB LEU 6 HB2 LEU 6 -13.241 5.639 2.062
38 2HB LEU 6 HB1 LEU 6 -13.247 4.375 3.292
39 HG LEU 6 HG LEU 6 -10.844 5.116 3.831
40 1HD1 LEU 6 1HD1 LEU 6 -11.788 7.387 2.070
41 2HD1 LEU 6 2HD1 LEU 6 -10.306 6.444 1.921
42 3HD1 LEU 6 3HD1 LEU 6 -10.496 7.583 3.254
43 1HD2 LEU 6 1HD2 LEU 6 -13.087 7.105 4.312
44 2HD2 LEU 6 2HD2 LEU 6 -11.638 6.904 5.298
45 3HD2 LEU 6 3HD2 LEU 6 -12.847 5.621 5.236
46 H ASP 7 HN ASP 7 -12.975 1.902 2.535
47 HA ASP 7 HA ASP 7 -10.885 0.972 4.334
48 1HB ASP 7 HB2 ASP 7 -13.516 0.549 4.139
49 2HB ASP 7 HB1 ASP 7 -12.993 -0.801 3.135
50 H LEU 8 HN LEU 8 -12.110 -0.089 1.151
51 HA LEU 8 HA LEU 8 -10.253 -2.178 0.644
52 1HB LEU 8 HB2 LEU 8 -12.269 -0.613 -0.730
53 2HB LEU 8 HB1 LEU 8 -10.908 -0.943 -1.803
54 HG LEU 8 HG LEU 8 -11.202 -3.367 -0.573
55 1HD1 LEU 8 1HD1 LEU 8 -13.989 -2.237 -0.986
56 2HD1 LEU 8 2HD1 LEU 8 -13.253 -2.552 0.585
57 3HD1 LEU 8 3HD1 LEU 8 -13.594 -3.889 -0.513
58 1HD2 LEU 8 1HD2 LEU 8 -12.637 -2.373 -3.061
59 2HD2 LEU 8 2HD2 LEU 8 -12.312 -4.064 -2.679
60 3HD2 LEU 8 3HD2 LEU 8 -10.975 -2.958 -2.995
61 H ILE 9 HN ILE 9 -9.935 1.337 0.159
62 HA ILE 9 HA ILE 9 -7.686 1.506 -1.518
63 HB ILE 9 HB ILE 9 -8.570 3.061 0.927
64 1HG1 ILE 9 2HG1 ILE 9 -8.506 3.838 -2.001
65 2HG1 ILE 9 1HG1 ILE 9 -9.901 3.083 -1.237
66 1HG2 ILE 9 1HG2 ILE 9 -6.246 3.535 0.898
67 2HG2 ILE 9 2HG2 ILE 9 -6.968 4.856 -0.019
68 3HG2 ILE 9 3HG2 ILE 9 -6.180 3.524 -0.864
69 1HD1 ILE 9 1HD1 ILE 9 -9.343 5.107 0.527
70 2HD1 ILE 9 2HD1 ILE 9 -10.529 5.219 -0.774
71 3HD1 ILE 9 3HD1 ILE 9 -8.899 5.847 -1.011
72 H TYR 10 HN TYR 10 -7.846 0.474 1.848
73 HA TYR 10 HA TYR 10 -5.121 0.600 2.609
74 1HB TYR 10 HB2 TYR 10 -5.967 -0.491 4.432
75 2HB TYR 10 HB1 TYR 10 -7.524 -0.366 3.630
76 HD1 TYR 10 HD1 TYR 10 -4.563 -2.568 4.108
77 HD2 TYR 10 HD2 TYR 10 -8.638 -2.318 2.770
78 HE1 TYR 10 HE1 TYR 10 -4.659 -5.037 3.931
79 HE2 TYR 10 HE2 TYR 10 -8.732 -4.785 2.594
80 HH TYR 10 HH TYR 10 -6.399 -6.689 2.287
81 H SER 11 HN SER 11 -6.860 -1.930 0.776
82 HA SER 11 HA SER 11 -4.603 -3.712 0.468
83 1HB SER 11 HB2 SER 11 -7.096 -4.193 0.206
84 2HB SER 11 HB1 SER 11 -7.020 -3.350 -1.338
85 HG SER 11 HG SER 11 -5.623 -4.890 -2.095
86 H LEU 12 HN LEU 12 -5.976 -1.069 -1.481
87 HA LEU 12 HA LEU 12 -4.267 -1.299 -3.767
88 1HB LEU 12 HB2 LEU 12 -6.203 0.539 -2.579
89 2HB LEU 12 HB1 LEU 12 -4.900 1.411 -3.380
90 HG LEU 12 HG LEU 12 -6.556 -0.796 -4.638
91 1HD1 LEU 12 1HD1 LEU 12 -7.810 1.316 -4.255
92 2HD1 LEU 12 2HD1 LEU 12 -7.555 0.998 -5.970
93 3HD1 LEU 12 3HD1 LEU 12 -6.563 2.196 -5.139
94 1HD2 LEU 12 1HD2 LEU 12 -5.424 0.110 -6.739
95 2HD2 LEU 12 2HD2 LEU 12 -4.371 -0.779 -5.638
96 3HD2 LEU 12 3HD2 LEU 12 -4.329 0.983 -5.667
97 H HIS 13 HN HIS 13 -3.995 0.583 -0.764
98 HA HIS 13 HA HIS 13 -1.437 1.790 -1.397
99 1HB HIS 13 HB2 HIS 13 -3.366 2.337 0.357
100 2HB HIS 13 HB1 HIS 13 -2.394 1.304 1.405
101 HD1 HIS 13 HD1 HIS 13 -0.117 2.181 2.185
102 HD2 HIS 13 HD2 HIS 13 -2.022 4.755 -0.484
103 HE1 HIS 13 HE1 HIS 13 1.198 4.345 2.215
104 H LYS 14 HN LYS 14 -2.437 -1.113 0.411
105 HA LYS 14 HA LYS 14 0.058 -1.870 1.527
106 1HB LYS 14 HB2 LYS 14 -2.055 -2.927 2.102
107 2HB LYS 14 HB1 LYS 14 -2.283 -3.467 0.440
108 1HG LYS 14 HG2 LYS 14 0.263 -4.325 1.670
109 2HG LYS 14 HG1 LYS 14 -1.181 -5.007 2.415
110 1HD LYS 14 HD2 LYS 14 -1.810 -5.283 -0.222
111 2HD LYS 14 HD1 LYS 14 -0.058 -5.466 -0.286
112 1HE LYS 14 HE2 LYS 14 -1.265 -6.951 1.946
113 2HE LYS 14 HE1 LYS 14 -1.832 -7.495 0.356
114 1HZ LYS 14 HZ1 LYS 14 0.987 -7.171 1.234
115 2HZ LYS 14 HZ2 LYS 14 0.529 -7.464 -0.376
116 3HZ LYS 14 HZ3 LYS 14 0.208 -8.621 0.828
117 H GLN 15 HN GLN 15 -1.212 -2.254 -1.748
118 HA GLN 15 HA GLN 15 0.874 -4.025 -2.718
119 1HB GLN 15 HB2 GLN 15 -1.473 -3.550 -3.662
120 2HB GLN 15 HB1 GLN 15 -0.793 -2.056 -4.308
121 1HG GLN 15 HG2 GLN 15 0.993 -3.476 -5.422
122 2HG GLN 15 HG1 GLN 15 0.053 -4.893 -4.954
123 1HE2 GLN 15 1HE2 GLN 15 0.300 -2.328 -7.287
124 2HE2 GLN 15 2HE2 GLN 15 -1.119 -2.691 -8.143
125 H ILE 16 HN ILE 16 0.342 -0.514 -2.790
126 HA ILE 16 HA ILE 16 2.731 0.190 -4.239
127 HB ILE 16 HB ILE 16 0.993 1.659 -2.224
128 1HG1 ILE 16 2HG1 ILE 16 -0.110 0.890 -4.342
129 2HG1 ILE 16 1HG1 ILE 16 -0.063 2.645 -4.188
130 1HG2 ILE 16 1HG2 ILE 16 2.030 3.675 -3.593
131 2HG2 ILE 16 2HG2 ILE 16 3.354 2.538 -3.850
132 3HG2 ILE 16 3HG2 ILE 16 2.891 2.996 -2.211
133 1HD1 ILE 16 1HD1 ILE 16 2.336 1.647 -5.493
134 2HD1 ILE 16 2HD1 ILE 16 1.178 2.851 -6.057
135 3HD1 ILE 16 3HD1 ILE 16 0.882 1.138 -6.352
136 H ASN 17 HN ASN 17 1.970 -0.236 -0.814
137 HA ASN 17 HA ASN 17 4.522 0.613 0.249
138 1HB ASN 17 HB2 ASN 17 1.970 -0.342 1.137
139 2HB ASN 17 HB1 ASN 17 3.208 -1.336 1.902
140 1HD2 ASN 17 1HD2 ASN 17 2.955 -0.347 4.017
141 2HD2 ASN 17 2HD2 ASN 17 3.422 1.258 4.317
142 H ARG 18 HN ARG 18 3.186 -2.539 -0.764
143 HA ARG 18 HA ARG 18 5.213 -4.278 0.170
144 1HB ARG 18 HB2 ARG 18 3.069 -4.956 -0.852
145 2HB ARG 18 HB1 ARG 18 3.602 -4.325 -2.408
146 1HG ARG 18 HG2 ARG 18 4.039 -6.643 -2.553
147 2HG ARG 18 HG1 ARG 18 5.605 -5.937 -2.163
148 1HD ARG 18 HD2 ARG 18 5.582 -6.751 0.023
149 2HD ARG 18 HD1 ARG 18 3.809 -6.809 0.088
150 HE ARG 18 HE ARG 18 4.512 -8.595 -1.949
151 1HH1 ARG 18 1HH2 ARG 18 3.418 -8.962 1.032
152 2HH1 ARG 18 2HH2 ARG 18 4.411 -10.297 1.510
153 1HH2 ARG 18 1HH1 ARG 18 6.583 -9.992 -1.187
154 2HH2 ARG 18 2HH1 ARG 18 6.206 -10.886 0.248
155 H GLY 19 HN GLY 19 5.079 -2.401 -2.881
156 1HA GLY 19 HA2 GLY 19 7.718 -3.327 -3.741
157 2HA GLY 19 HA1 GLY 19 6.755 -2.067 -4.519
158 H LEU 20 HN LEU 20 6.349 -0.438 -2.199
159 HA LEU 20 HA LEU 20 8.642 1.247 -2.233
160 1HB LEU 20 HB2 LEU 20 6.418 2.023 -1.649
161 2HB LEU 20 HB1 LEU 20 6.332 0.896 -0.297
162 HG LEU 20 HG LEU 20 8.257 2.085 0.763
163 1HD1 LEU 20 1HD1 LEU 20 8.657 4.441 -0.208
164 2HD1 LEU 20 2HD1 LEU 20 7.911 3.825 -1.683
165 3HD1 LEU 20 3HD1 LEU 20 9.390 3.086 -1.067
166 1HD2 LEU 20 1HD2 LEU 20 6.954 3.938 1.561
167 2HD2 LEU 20 2HD2 LEU 20 5.809 2.649 1.190
168 3HD2 LEU 20 3HD2 LEU 20 6.012 3.998 0.072
169 H LYS 21 HN LYS 21 7.572 -1.100 0.244
170 HA LYS 21 HA LYS 21 9.867 -0.700 1.959
171 1HB LYS 21 HB2 LYS 21 8.957 -2.614 3.159
172 2HB LYS 21 HB1 LYS 21 7.621 -1.594 2.632
173 1HG LYS 21 HG2 LYS 21 6.726 -3.331 1.522
174 2HG LYS 21 HG1 LYS 21 8.180 -3.454 0.535
175 1HD LYS 21 HD2 LYS 21 8.508 -4.533 3.253
176 2HD LYS 21 HD1 LYS 21 7.299 -5.386 2.294
177 1HE LYS 21 HE2 LYS 21 10.032 -4.748 1.157
178 2HE LYS 21 HE1 LYS 21 9.731 -6.228 2.084
179 1HZ LYS 21 HZ1 LYS 21 9.325 -6.537 -0.308
180 2HZ LYS 21 HZ2 LYS 21 8.126 -5.334 -0.259
181 3HZ LYS 21 HZ3 LYS 21 7.922 -6.783 0.611
182 H LYS 22 HN LYS 22 9.357 -2.593 -0.916
183 HA LYS 22 HA LYS 22 11.493 -4.521 -0.460
184 1HB LYS 22 HB2 LYS 22 9.468 -4.775 -1.960
185 2HB LYS 22 HB1 LYS 22 10.208 -3.604 -3.050
186 1HG LYS 22 HG2 LYS 22 11.976 -5.831 -2.230
187 2HG LYS 22 HG1 LYS 22 10.596 -6.303 -3.224
188 1HD LYS 22 HD2 LYS 22 11.830 -3.878 -4.247
189 2HD LYS 22 HD1 LYS 22 13.009 -5.183 -4.128
190 1HE LYS 22 HE2 LYS 22 12.129 -5.700 -6.209
191 2HE LYS 22 HE1 LYS 22 10.949 -6.569 -5.209
192 1HZ LYS 22 HZ1 LYS 22 10.698 -3.751 -6.135
193 2HZ LYS 22 HZ2 LYS 22 9.580 -4.568 -5.150
194 3HZ LYS 22 HZ3 LYS 22 9.831 -5.070 -6.752
195 H ILE 23 HN ILE 23 11.182 -1.458 -2.240
196 HA ILE 23 HA ILE 23 13.757 -1.391 -3.457
197 HB ILE 23 HB ILE 23 11.886 0.768 -2.424
198 1HG1 ILE 23 2HG1 ILE 23 12.374 0.222 -5.318
199 2HG1 ILE 23 1HG1 ILE 23 11.443 -0.980 -4.426
200 1HG2 ILE 23 1HG2 ILE 23 14.485 0.941 -3.937
201 2HG2 ILE 23 2HG2 ILE 23 13.904 1.948 -2.610
202 3HG2 ILE 23 3HG2 ILE 23 13.218 2.135 -4.224
203 1HD1 ILE 23 1HD1 ILE 23 9.946 0.708 -5.401
204 2HD1 ILE 23 2HD1 ILE 23 10.831 1.986 -4.568
205 3HD1 ILE 23 3HD1 ILE 23 9.914 0.801 -3.640
206 H VAL 24 HN VAL 24 12.665 -0.321 -0.253
207 HA VAL 24 HA VAL 24 15.319 0.611 0.569
208 HB VAL 24 HB VAL 24 12.826 0.000 2.198
209 1HG1 VAL 24 1HG1 VAL 24 15.220 1.795 2.706
210 2HG1 VAL 24 2HG1 VAL 24 14.836 0.301 3.562
211 3HG1 VAL 24 3HG1 VAL 24 13.789 1.710 3.733
212 1HG2 VAL 24 1HG2 VAL 24 13.611 2.347 0.490
213 2HG2 VAL 24 2HG2 VAL 24 12.666 2.625 1.952
214 3HG2 VAL 24 3HG2 VAL 24 12.032 1.586 0.677
215 H LEU 25 HN LEU 25 13.355 -2.294 0.941
216 HA LEU 25 HA LEU 25 14.898 -3.644 2.943
217 1HB LEU 25 HB2 LEU 25 12.682 -4.372 2.384
218 2HB LEU 25 HB1 LEU 25 13.087 -4.516 0.675
219 HG LEU 25 HG LEU 25 14.660 -6.359 1.225
220 1HD1 LEU 25 1HD1 LEU 25 13.558 -5.931 4.018
221 2HD1 LEU 25 2HD1 LEU 25 15.240 -5.778 3.507
222 3HD1 LEU 25 3HD1 LEU 25 14.464 -7.361 3.528
223 1HD2 LEU 25 1HD2 LEU 25 11.913 -6.873 2.396
224 2HD2 LEU 25 2HD2 LEU 25 12.968 -8.034 1.592
225 3HD2 LEU 25 3HD2 LEU 25 12.216 -6.737 0.664
226 H GLY 26 HN GLY 26 15.136 -3.621 -0.628
227 1HA GLY 26 HA2 GLY 26 17.319 -5.538 -0.705
228 2HA GLY 26 HA1 GLY 26 16.785 -4.527 -2.050
229 H TRP 27 HN TRP 27 17.430 -2.172 -1.904
230 HA TRP 27 HA TRP 27 19.896 -1.688 -0.295
231 1HB TRP 27 HB2 TRP 27 19.690 -2.245 -3.149
232 2HB TRP 27 HB1 TRP 27 20.418 -0.665 -2.862
233 HD1 TRP 27 HD1 TRP 27 20.949 -4.385 -2.193
234 HE1 TRP 27 HE1 TRP 27 23.394 -4.761 -1.469
235 HE3 TRP 27 HE3 TRP 27 22.499 0.463 -1.765
236 HZ2 TRP 27 HZ2 TRP 27 25.703 -3.212 -0.799
237 HZ3 TRP 27 HZ3 TRP 27 24.825 0.984 -1.083
238 HH2 TRP 27 HH2 TRP 27 26.427 -0.847 -0.600
239 H ALA 28 HN ALA 28 19.537 0.249 0.717
240 HA ALA 28 HA ALA 28 17.903 2.327 -0.710
241 1HB ALA 28 HB1 ALA 28 18.300 2.249 2.264
242 2HB ALA 28 HB2 ALA 28 17.210 1.076 1.526
243 3HB ALA 28 HB3 ALA 28 16.904 2.802 1.341
Start of MODEL 23
1 1H SER 1 HT1 SER 1 -18.300 11.868 -1.356
2 2H SER 1 HT2 SER 1 -17.054 12.658 -0.515
3 3H SER 1 HT3 SER 1 -18.183 11.708 0.328
4 HA SER 1 HA SER 1 -16.062 10.767 -1.534
5 1HB SER 1 HB2 SER 1 -15.437 9.545 0.589
6 2HB SER 1 HB1 SER 1 -15.340 11.298 0.721
7 HG SER 1 HG SER 1 -16.723 9.663 2.225
8 H GLY 2 HN GLY 2 -16.007 8.176 -1.052
9 1HA GLY 2 HA2 GLY 2 -18.576 7.174 -2.066
10 2HA GLY 2 HA1 GLY 2 -17.093 6.235 -1.888
11 H ASN 3 HN ASN 3 -17.445 4.597 -0.468
12 HA ASN 3 HA ASN 3 -18.463 5.206 2.238
13 1HB ASN 3 HB2 ASN 3 -20.165 4.333 0.135
14 2HB ASN 3 HB1 ASN 3 -19.951 2.954 1.212
15 1HD2 ASN 3 1HD2 ASN 3 -21.231 6.250 1.010
16 2HD2 ASN 3 2HD2 ASN 3 -22.040 6.213 2.501
17 H TYR 4 HN TYR 4 -17.915 2.400 0.055
18 HA TYR 4 HA TYR 4 -16.418 1.056 2.268
19 1HB TYR 4 HB2 TYR 4 -17.025 -0.981 1.176
20 2HB TYR 4 HB1 TYR 4 -18.458 0.039 1.093
21 HD1 TYR 4 HD1 TYR 4 -19.181 1.038 -1.030
22 HD2 TYR 4 HD2 TYR 4 -15.681 -1.445 -0.815
23 HE1 TYR 4 HE1 TYR 4 -19.162 0.849 -3.503
24 HE2 TYR 4 HE2 TYR 4 -15.661 -1.631 -3.286
25 HH TYR 4 HH TYR 4 -16.576 -0.132 -5.251
26 H VAL 5 HN VAL 5 -15.982 2.504 -0.884
27 HA VAL 5 HA VAL 5 -13.659 1.129 -1.795
28 HB VAL 5 HB VAL 5 -13.305 3.178 -3.138
29 1HG1 VAL 5 1HG1 VAL 5 -16.270 3.034 -3.083
30 2HG1 VAL 5 2HG1 VAL 5 -15.425 1.499 -3.292
31 3HG1 VAL 5 3HG1 VAL 5 -15.154 2.818 -4.432
32 1HG2 VAL 5 1HG2 VAL 5 -15.177 4.341 -1.081
33 2HG2 VAL 5 2HG2 VAL 5 -15.108 5.026 -2.705
34 3HG2 VAL 5 3HG2 VAL 5 -13.661 4.997 -1.697
35 H LEU 6 HN LEU 6 -13.977 3.869 0.488
36 HA LEU 6 HA LEU 6 -11.190 4.470 0.762
37 1HB LEU 6 HB2 LEU 6 -13.654 5.296 1.833
38 2HB LEU 6 HB1 LEU 6 -12.747 4.703 3.225
39 HG LEU 6 HG LEU 6 -10.791 6.110 2.042
40 1HD1 LEU 6 1HD1 LEU 6 -12.169 6.828 0.150
41 2HD1 LEU 6 2HD1 LEU 6 -11.762 8.222 1.150
42 3HD1 LEU 6 3HD1 LEU 6 -13.368 7.503 1.253
43 1HD2 LEU 6 1HD2 LEU 6 -12.997 7.049 3.882
44 2HD2 LEU 6 2HD2 LEU 6 -11.621 8.081 3.488
45 3HD2 LEU 6 3HD2 LEU 6 -11.363 6.540 4.307
46 H ASP 7 HN ASP 7 -13.299 2.147 2.452
47 HA ASP 7 HA ASP 7 -11.325 1.146 4.298
48 1HB ASP 7 HB2 ASP 7 -14.048 0.647 3.453
49 2HB ASP 7 HB1 ASP 7 -13.189 -0.886 3.581
50 H LEU 8 HN LEU 8 -12.146 0.406 0.940
51 HA LEU 8 HA LEU 8 -10.501 -1.998 0.744
52 1HB LEU 8 HB2 LEU 8 -12.449 -0.548 -0.763
53 2HB LEU 8 HB1 LEU 8 -11.023 -0.744 -1.781
54 HG LEU 8 HG LEU 8 -11.213 -3.223 -0.614
55 1HD1 LEU 8 1HD1 LEU 8 -14.042 -2.387 -1.300
56 2HD1 LEU 8 2HD1 LEU 8 -13.435 -2.451 0.354
57 3HD1 LEU 8 3HD1 LEU 8 -13.510 -3.922 -0.615
58 1HD2 LEU 8 1HD2 LEU 8 -10.861 -2.649 -3.024
59 2HD2 LEU 8 2HD2 LEU 8 -12.590 -2.336 -3.173
60 3HD2 LEU 8 3HD2 LEU 8 -12.018 -3.962 -2.801
61 H ILE 9 HN ILE 9 -10.008 1.469 0.176
62 HA ILE 9 HA ILE 9 -7.692 1.486 -1.424
63 HB ILE 9 HB ILE 9 -8.627 3.179 0.907
64 1HG1 ILE 9 2HG1 ILE 9 -8.426 3.816 -2.049
65 2HG1 ILE 9 1HG1 ILE 9 -9.869 3.128 -1.311
66 1HG2 ILE 9 1HG2 ILE 9 -6.942 4.881 0.018
67 2HG2 ILE 9 2HG2 ILE 9 -6.187 3.545 -0.850
68 3HG2 ILE 9 3HG2 ILE 9 -6.257 3.524 0.912
69 1HD1 ILE 9 1HD1 ILE 9 -8.802 5.875 -1.154
70 2HD1 ILE 9 2HD1 ILE 9 -9.347 5.212 0.385
71 3HD1 ILE 9 3HD1 ILE 9 -10.460 5.300 -0.979
72 H TYR 10 HN TYR 10 -8.058 0.516 1.926
73 HA TYR 10 HA TYR 10 -5.378 0.613 2.850
74 1HB TYR 10 HB2 TYR 10 -6.391 -0.372 4.642
75 2HB TYR 10 HB1 TYR 10 -7.879 -0.268 3.718
76 HD1 TYR 10 HD1 TYR 10 -8.785 -2.246 2.551
77 HD2 TYR 10 HD2 TYR 10 -5.168 -2.477 4.857
78 HE1 TYR 10 HE1 TYR 10 -8.927 -4.718 2.524
79 HE2 TYR 10 HE2 TYR 10 -5.309 -4.951 4.826
80 HH TYR 10 HH TYR 10 -6.811 -6.685 2.841
81 H SER 11 HN SER 11 -7.054 -1.872 0.914
82 HA SER 11 HA SER 11 -4.766 -3.680 0.783
83 1HB SER 11 HB2 SER 11 -7.261 -4.208 0.534
84 2HB SER 11 HB1 SER 11 -7.168 -3.475 -1.065
85 HG SER 11 HG SER 11 -5.726 -5.044 -1.681
86 H LEU 12 HN LEU 12 -6.191 -1.173 -1.302
87 HA LEU 12 HA LEU 12 -4.488 -1.465 -3.577
88 1HB LEU 12 HB2 LEU 12 -6.432 -0.141 -3.803
89 2HB LEU 12 HB1 LEU 12 -6.126 0.724 -2.301
90 HG LEU 12 HG LEU 12 -4.160 1.821 -3.373
91 1HD1 LEU 12 1HD1 LEU 12 -4.270 1.672 -5.981
92 2HD1 LEU 12 2HD1 LEU 12 -5.108 0.148 -5.691
93 3HD1 LEU 12 3HD1 LEU 12 -3.465 0.379 -5.093
94 1HD2 LEU 12 1HD2 LEU 12 -6.623 2.676 -3.420
95 2HD2 LEU 12 2HD2 LEU 12 -6.568 2.254 -5.132
96 3HD2 LEU 12 3HD2 LEU 12 -5.445 3.450 -4.481
97 H HIS 13 HN HIS 13 -4.195 0.489 -0.624
98 HA HIS 13 HA HIS 13 -1.673 1.733 -1.283
99 1HB HIS 13 HB2 HIS 13 -3.567 2.212 0.522
100 2HB HIS 13 HB1 HIS 13 -2.566 1.165 1.528
101 HD1 HIS 13 HD1 HIS 13 -0.120 1.973 2.042
102 HD2 HIS 13 HD2 HIS 13 -2.442 4.754 -0.019
103 HE1 HIS 13 HE1 HIS 13 1.120 4.176 2.172
104 H LYS 14 HN LYS 14 -2.575 -1.333 0.217
105 HA LYS 14 HA LYS 14 -0.104 -2.052 1.430
106 1HB LYS 14 HB2 LYS 14 -2.643 -3.180 0.824
107 2HB LYS 14 HB1 LYS 14 -1.430 -4.307 0.217
108 1HG LYS 14 HG2 LYS 14 -1.131 -3.115 2.962
109 2HG LYS 14 HG1 LYS 14 -2.203 -4.492 2.707
110 1HD LYS 14 HD2 LYS 14 0.197 -5.075 1.316
111 2HD LYS 14 HD1 LYS 14 0.670 -4.466 2.902
112 1HE LYS 14 HE2 LYS 14 -0.008 -6.382 3.910
113 2HE LYS 14 HE1 LYS 14 -1.593 -6.297 3.116
114 1HZ LYS 14 HZ1 LYS 14 -0.353 -8.230 2.349
115 2HZ LYS 14 HZ2 LYS 14 0.933 -7.236 1.855
116 3HZ LYS 14 HZ3 LYS 14 -0.575 -7.128 1.078
117 H GLN 15 HN GLN 15 -1.216 -2.306 -1.913
118 HA GLN 15 HA GLN 15 1.036 -3.854 -2.887
119 1HB GLN 15 HB2 GLN 15 -1.195 -2.209 -4.055
120 2HB GLN 15 HB1 GLN 15 0.106 -2.766 -5.107
121 1HG GLN 15 HG2 GLN 15 -1.162 -4.750 -3.256
122 2HG GLN 15 HG1 GLN 15 -2.052 -4.267 -4.700
123 1HE2 GLN 15 1HE2 GLN 15 -1.365 -5.130 -6.710
124 2HE2 GLN 15 2HE2 GLN 15 -0.004 -6.130 -6.888
125 H ILE 16 HN ILE 16 0.457 -0.454 -2.301
126 HA ILE 16 HA ILE 16 2.761 0.482 -3.860
127 HB ILE 16 HB ILE 16 0.971 1.783 -1.772
128 1HG1 ILE 16 2HG1 ILE 16 0.912 2.225 -4.760
129 2HG1 ILE 16 1HG1 ILE 16 -0.008 0.916 -4.017
130 1HG2 ILE 16 1HG2 ILE 16 1.813 3.916 -2.678
131 2HG2 ILE 16 2HG2 ILE 16 2.894 3.035 -3.757
132 3HG2 ILE 16 3HG2 ILE 16 3.134 2.956 -2.012
133 1HD1 ILE 16 1HD1 ILE 16 -1.633 2.439 -3.646
134 2HD1 ILE 16 2HD1 ILE 16 -0.561 3.782 -4.041
135 3HD1 ILE 16 3HD1 ILE 16 -0.576 3.118 -2.408
136 H ASN 17 HN ASN 17 2.131 -0.694 -0.654
137 HA ASN 17 HA ASN 17 4.546 0.434 0.586
138 1HB ASN 17 HB2 ASN 17 2.127 -0.375 1.481
139 2HB ASN 17 HB1 ASN 17 3.034 -1.860 1.750
140 1HD2 ASN 17 1HD2 ASN 17 2.721 1.514 2.753
141 2HD2 ASN 17 2HD2 ASN 17 3.785 1.405 4.070
142 H ARG 18 HN ARG 18 3.424 -2.856 -0.347
143 HA ARG 18 HA ARG 18 5.733 -4.317 0.352
144 1HB ARG 18 HB2 ARG 18 4.911 -5.939 -1.329
145 2HB ARG 18 HB1 ARG 18 3.583 -5.282 -0.380
146 1HG ARG 18 HG2 ARG 18 2.638 -4.939 -2.428
147 2HG ARG 18 HG1 ARG 18 3.643 -3.492 -2.426
148 1HD ARG 18 HD2 ARG 18 4.535 -4.311 -4.357
149 2HD ARG 18 HD1 ARG 18 5.383 -5.480 -3.326
150 HE ARG 18 HE ARG 18 2.737 -5.986 -4.636
151 1HH1 ARG 18 1HH1 ARG 18 5.851 -7.114 -4.555
152 2HH1 ARG 18 2HH1 ARG 18 5.461 -8.754 -4.158
153 1HH2 ARG 18 1HH2 ARG 18 2.120 -8.080 -3.485
154 2HH2 ARG 18 2HH2 ARG 18 3.344 -9.301 -3.555
155 H GLY 19 HN GLY 19 5.138 -2.362 -2.568
156 1HA GLY 19 HA2 GLY 19 7.621 -3.162 -3.874
157 2HA GLY 19 HA1 GLY 19 6.579 -1.820 -4.360
158 H LEU 20 HN LEU 20 6.504 -0.358 -1.981
159 HA LEU 20 HA LEU 20 8.874 1.214 -2.078
160 1HB LEU 20 HB2 LEU 20 6.872 2.184 -1.257
161 2HB LEU 20 HB1 LEU 20 6.575 0.843 -0.155
162 HG LEU 20 HG LEU 20 8.510 1.531 1.211
163 1HD1 LEU 20 1HD1 LEU 20 9.894 2.550 -0.527
164 2HD1 LEU 20 2HD1 LEU 20 9.570 3.746 0.728
165 3HD1 LEU 20 3HD1 LEU 20 8.683 3.804 -0.794
166 1HD2 LEU 20 1HD2 LEU 20 6.576 3.796 0.626
167 2HD2 LEU 20 2HD2 LEU 20 7.537 3.623 2.094
168 3HD2 LEU 20 3HD2 LEU 20 6.275 2.449 1.723
169 H LYS 21 HN LYS 21 7.905 -1.440 0.056
170 HA LYS 21 HA LYS 21 10.106 -1.323 1.890
171 1HB LYS 21 HB2 LYS 21 8.161 -3.434 0.960
172 2HB LYS 21 HB1 LYS 21 9.403 -3.812 2.153
173 1HG LYS 21 HG2 LYS 21 8.457 -2.463 3.774
174 2HG LYS 21 HG1 LYS 21 7.750 -1.361 2.592
175 1HD LYS 21 HD2 LYS 21 5.852 -2.602 2.371
176 2HD LYS 21 HD1 LYS 21 6.717 -4.132 2.500
177 1HE LYS 21 HE2 LYS 21 6.891 -3.871 4.934
178 2HE LYS 21 HE1 LYS 21 6.100 -2.285 4.836
179 1HZ LYS 21 HZ1 LYS 21 4.466 -3.986 5.317
180 2HZ LYS 21 HZ2 LYS 21 4.942 -4.879 3.953
181 3HZ LYS 21 HZ3 LYS 21 4.197 -3.362 3.762
182 H LYS 22 HN LYS 22 9.640 -3.132 -1.144
183 HA LYS 22 HA LYS 22 12.078 -4.628 -1.090
184 1HB LYS 22 HB2 LYS 22 10.212 -5.136 -2.572
185 2HB LYS 22 HB1 LYS 22 10.355 -3.561 -3.350
186 1HG LYS 22 HG2 LYS 22 12.869 -5.073 -3.377
187 2HG LYS 22 HG1 LYS 22 11.563 -5.901 -4.224
188 1HD LYS 22 HD2 LYS 22 11.669 -3.023 -4.802
189 2HD LYS 22 HD1 LYS 22 13.126 -3.886 -5.294
190 1HE LYS 22 HE2 LYS 22 11.977 -5.240 -6.817
191 2HE LYS 22 HE1 LYS 22 10.431 -5.049 -5.970
192 1HZ LYS 22 HZ1 LYS 22 10.230 -2.838 -6.693
193 2HZ LYS 22 HZ2 LYS 22 10.728 -3.692 -8.074
194 3HZ LYS 22 HZ3 LYS 22 11.845 -2.753 -7.204
195 H ILE 23 HN ILE 23 11.362 -1.346 -2.217
196 HA ILE 23 HA ILE 23 13.912 -0.888 -3.505
197 HB ILE 23 HB ILE 23 11.789 0.957 -2.362
198 1HG1 ILE 23 2HG1 ILE 23 12.281 0.484 -5.284
199 2HG1 ILE 23 1HG1 ILE 23 11.417 -0.750 -4.368
200 1HG2 ILE 23 1HG2 ILE 23 14.134 1.546 -4.198
201 2HG2 ILE 23 2HG2 ILE 23 13.890 2.181 -2.571
202 3HG2 ILE 23 3HG2 ILE 23 12.810 2.668 -3.877
203 1HD1 ILE 23 1HD1 ILE 23 10.615 2.078 -4.955
204 2HD1 ILE 23 2HD1 ILE 23 10.030 1.311 -3.479
205 3HD1 ILE 23 3HD1 ILE 23 9.654 0.603 -5.050
206 H VAL 24 HN VAL 24 12.827 -0.734 -0.191
207 HA VAL 24 HA VAL 24 15.326 0.663 0.653
208 HB VAL 24 HB VAL 24 12.751 -0.077 2.087
209 1HG1 VAL 24 1HG1 VAL 24 13.643 1.494 3.855
210 2HG1 VAL 24 2HG1 VAL 24 15.194 1.459 3.015
211 3HG1 VAL 24 3HG1 VAL 24 14.536 -0.021 3.714
212 1HG2 VAL 24 1HG2 VAL 24 12.119 1.706 0.760
213 2HG2 VAL 24 2HG2 VAL 24 13.759 2.347 0.657
214 3HG2 VAL 24 3HG2 VAL 24 12.802 2.601 2.117
215 H LEU 25 HN LEU 25 13.705 -2.426 0.712
216 HA LEU 25 HA LEU 25 15.427 -3.616 2.768
217 1HB LEU 25 HB2 LEU 25 13.143 -4.339 2.581
218 2HB LEU 25 HB1 LEU 25 13.300 -4.600 0.846
219 HG LEU 25 HG LEU 25 14.921 -6.424 1.280
220 1HD1 LEU 25 1HD1 LEU 25 15.881 -5.762 3.380
221 2HD1 LEU 25 2HD1 LEU 25 15.013 -7.265 3.684
222 3HD1 LEU 25 3HD1 LEU 25 14.301 -5.724 4.162
223 1HD2 LEU 25 1HD2 LEU 25 12.255 -6.585 1.354
224 2HD2 LEU 25 2HD2 LEU 25 12.577 -7.085 3.014
225 3HD2 LEU 25 3HD2 LEU 25 13.269 -7.993 1.669
226 H GLY 26 HN GLY 26 15.161 -3.723 -0.807
227 1HA GLY 26 HA2 GLY 26 17.969 -4.622 -0.943
228 2HA GLY 26 HA1 GLY 26 16.782 -5.751 -1.593
229 H TRP 27 HN TRP 27 18.248 -2.576 -2.022
230 HA TRP 27 HA TRP 27 17.555 -2.679 -4.905
231 1HB TRP 27 HB2 TRP 27 15.695 -1.559 -3.566
232 2HB TRP 27 HB1 TRP 27 16.857 -0.292 -3.174
233 HD1 TRP 27 HD1 TRP 27 17.208 1.559 -4.903
234 HE1 TRP 27 HE1 TRP 27 16.408 1.977 -7.318
235 HE3 TRP 27 HE3 TRP 27 15.030 -2.950 -5.900
236 HZ2 TRP 27 HZ2 TRP 27 15.025 0.580 -9.397
237 HZ3 TRP 27 HZ3 TRP 27 13.980 -3.380 -8.104
238 HH2 TRP 27 HH2 TRP 27 13.975 -1.622 -9.852
239 H ALA 28 HN ALA 28 18.985 -1.403 -6.176
240 HA ALA 28 HA ALA 28 21.023 -0.350 -6.709
241 1HB ALA 28 HB1 ALA 28 21.349 1.692 -5.537
242 2HB ALA 28 HB2 ALA 28 20.693 1.032 -4.039
243 3HB ALA 28 HB3 ALA 28 19.619 1.380 -5.393
Start of MODEL 24
1 1H SER 1 HT1 SER 1 -20.599 5.189 10.185
2 2H SER 1 HT2 SER 1 -21.293 4.173 9.013
3 3H SER 1 HT3 SER 1 -21.936 5.722 9.287
4 HA SER 1 HA SER 1 -20.040 6.790 8.348
5 1HB SER 1 HB2 SER 1 -18.872 3.990 8.219
6 2HB SER 1 HB1 SER 1 -18.043 5.493 7.826
7 HG SER 1 HG SER 1 -17.668 4.619 9.994
8 H GLY 2 HN GLY 2 -19.929 7.100 6.072
9 1HA GLY 2 HA2 GLY 2 -21.359 5.058 4.411
10 2HA GLY 2 HA1 GLY 2 -21.621 6.790 4.196
11 H ASN 3 HN ASN 3 -19.178 4.228 3.920
12 HA ASN 3 HA ASN 3 -17.933 5.720 1.666
13 1HB ASN 3 HB2 ASN 3 -16.874 5.413 4.378
14 2HB ASN 3 HB1 ASN 3 -15.764 4.778 3.162
15 1HD2 ASN 3 1HD2 ASN 3 -17.152 7.710 4.481
16 2HD2 ASN 3 2HD2 ASN 3 -16.323 8.790 3.466
17 H TYR 4 HN TYR 4 -15.999 4.205 0.838
18 HA TYR 4 HA TYR 4 -16.380 1.327 1.244
19 1HB TYR 4 HB2 TYR 4 -18.309 2.130 -0.209
20 2HB TYR 4 HB1 TYR 4 -17.115 2.552 -1.434
21 HD1 TYR 4 HD1 TYR 4 -18.408 -0.284 0.618
22 HD2 TYR 4 HD2 TYR 4 -16.205 0.903 -2.874
23 HE1 TYR 4 HE1 TYR 4 -18.368 -2.637 -0.157
24 HE2 TYR 4 HE2 TYR 4 -16.164 -1.452 -3.648
25 HH TYR 4 HH TYR 4 -16.423 -3.906 -2.076
26 H VAL 5 HN VAL 5 -15.225 3.660 -1.246
27 HA VAL 5 HA VAL 5 -12.989 2.067 -2.090
28 HB VAL 5 HB VAL 5 -12.251 4.175 -3.157
29 1HG1 VAL 5 1HG1 VAL 5 -14.161 4.502 -4.557
30 2HG1 VAL 5 2HG1 VAL 5 -15.269 4.016 -3.273
31 3HG1 VAL 5 3HG1 VAL 5 -14.219 2.820 -4.031
32 1HG2 VAL 5 1HG2 VAL 5 -14.315 5.389 -1.307
33 2HG2 VAL 5 2HG2 VAL 5 -13.759 6.214 -2.761
34 3HG2 VAL 5 3HG2 VAL 5 -12.615 5.826 -1.476
35 H LEU 6 HN LEU 6 -13.256 4.658 0.374
36 HA LEU 6 HA LEU 6 -10.496 4.873 1.057
37 1HB LEU 6 HB2 LEU 6 -13.122 5.588 2.124
38 2HB LEU 6 HB1 LEU 6 -11.996 5.170 3.416
39 HG LEU 6 HG LEU 6 -11.084 6.989 1.206
40 1HD1 LEU 6 1HD1 LEU 6 -12.859 7.709 3.547
41 2HD1 LEU 6 2HD1 LEU 6 -13.102 8.091 1.841
42 3HD1 LEU 6 3HD1 LEU 6 -11.822 8.895 2.751
43 1HD2 LEU 6 1HD2 LEU 6 -9.794 7.929 3.190
44 2HD2 LEU 6 2HD2 LEU 6 -9.391 6.268 2.755
45 3HD2 LEU 6 3HD2 LEU 6 -10.435 6.588 4.139
46 H ASP 7 HN ASP 7 -13.023 2.639 2.184
47 HA ASP 7 HA ASP 7 -11.398 1.242 4.126
48 1HB ASP 7 HB2 ASP 7 -14.043 1.099 2.857
49 2HB ASP 7 HB1 ASP 7 -13.370 -0.497 3.182
50 H LEU 8 HN LEU 8 -12.022 0.849 0.657
51 HA LEU 8 HA LEU 8 -10.639 -1.698 0.384
52 1HB LEU 8 HB2 LEU 8 -12.222 0.130 -1.161
53 2HB LEU 8 HB1 LEU 8 -10.752 -0.230 -2.062
54 HG LEU 8 HG LEU 8 -11.452 -2.707 -1.065
55 1HD1 LEU 8 1HD1 LEU 8 -13.618 -1.780 -0.282
56 2HD1 LEU 8 2HD1 LEU 8 -13.847 -2.981 -1.552
57 3HD1 LEU 8 3HD1 LEU 8 -13.981 -1.264 -1.929
58 1HD2 LEU 8 1HD2 LEU 8 -12.034 -3.225 -3.370
59 2HD2 LEU 8 2HD2 LEU 8 -10.708 -2.063 -3.381
60 3HD2 LEU 8 3HD2 LEU 8 -12.355 -1.526 -3.714
61 H ILE 9 HN ILE 9 -9.684 1.709 0.199
62 HA ILE 9 HA ILE 9 -7.245 1.579 -1.196
63 HB ILE 9 HB ILE 9 -8.198 3.154 1.206
64 1HG1 ILE 9 2HG1 ILE 9 -7.581 4.036 -1.627
65 2HG1 ILE 9 1HG1 ILE 9 -9.175 3.485 -1.120
66 1HG2 ILE 9 1HG2 ILE 9 -5.799 3.132 1.458
67 2HG2 ILE 9 2HG2 ILE 9 -6.230 4.681 0.735
68 3HG2 ILE 9 3HG2 ILE 9 -5.561 3.394 -0.269
69 1HD1 ILE 9 1HD1 ILE 9 -8.587 5.307 0.840
70 2HD1 ILE 9 2HD1 ILE 9 -9.526 5.673 -0.608
71 3HD1 ILE 9 3HD1 ILE 9 -7.800 6.034 -0.560
72 H TYR 10 HN TYR 10 -8.031 0.392 2.011
73 HA TYR 10 HA TYR 10 -5.466 0.047 3.156
74 1HB TYR 10 HB2 TYR 10 -6.762 -0.947 4.746
75 2HB TYR 10 HB1 TYR 10 -8.129 -0.584 3.706
76 HD1 TYR 10 HD1 TYR 10 -5.763 -3.199 4.792
77 HD2 TYR 10 HD2 TYR 10 -9.191 -2.328 2.355
78 HE1 TYR 10 HE1 TYR 10 -6.190 -5.625 4.522
79 HE2 TYR 10 HE2 TYR 10 -9.617 -4.753 2.084
80 HH TYR 10 HH TYR 10 -7.837 -6.965 2.277
81 H SER 11 HN SER 11 -7.239 -2.043 0.867
82 HA SER 11 HA SER 11 -5.188 -4.106 0.740
83 1HB SER 11 HB2 SER 11 -7.698 -4.251 0.228
84 2HB SER 11 HB1 SER 11 -7.342 -3.431 -1.289
85 HG SER 11 HG SER 11 -7.116 -5.507 -1.828
86 H LEU 12 HN LEU 12 -6.069 -1.265 -1.235
87 HA LEU 12 HA LEU 12 -4.193 -1.619 -3.359
88 1HB LEU 12 HB2 LEU 12 -6.173 0.158 -2.652
89 2HB LEU 12 HB1 LEU 12 -4.726 1.135 -2.415
90 HG LEU 12 HG LEU 12 -5.516 1.420 -4.700
91 1HD1 LEU 12 1HD1 LEU 12 -3.491 0.925 -5.875
92 2HD1 LEU 12 2HD1 LEU 12 -3.120 -0.425 -4.804
93 3HD1 LEU 12 3HD1 LEU 12 -3.027 1.229 -4.201
94 1HD2 LEU 12 1HD2 LEU 12 -6.683 -0.851 -4.728
95 2HD2 LEU 12 2HD2 LEU 12 -5.109 -1.553 -5.100
96 3HD2 LEU 12 3HD2 LEU 12 -5.848 -0.404 -6.214
97 H HIS 13 HN HIS 13 -3.913 -0.124 -0.164
98 HA HIS 13 HA HIS 13 -1.300 1.006 -0.443
99 1HB HIS 13 HB2 HIS 13 -3.161 1.252 1.374
100 2HB HIS 13 HB1 HIS 13 -2.406 -0.160 2.114
101 HD1 HIS 13 HD1 HIS 13 -2.327 3.270 2.582
102 HD2 HIS 13 HD2 HIS 13 0.726 0.505 1.946
103 HE1 HIS 13 HE1 HIS 13 -0.201 4.338 3.449
104 H LYS 14 HN LYS 14 -2.392 -2.281 0.369
105 HA LYS 14 HA LYS 14 0.087 -3.356 1.304
106 1HB LYS 14 HB2 LYS 14 -2.078 -4.697 -0.356
107 2HB LYS 14 HB1 LYS 14 -0.927 -5.512 0.700
108 1HG LYS 14 HG2 LYS 14 -3.222 -3.707 1.478
109 2HG LYS 14 HG1 LYS 14 -2.927 -5.371 1.974
110 1HD LYS 14 HD2 LYS 14 -0.992 -4.685 3.290
111 2HD LYS 14 HD1 LYS 14 -1.151 -3.027 2.713
112 1HE LYS 14 HE2 LYS 14 -2.144 -3.191 4.950
113 2HE LYS 14 HE1 LYS 14 -3.442 -2.944 3.768
114 1HZ LYS 14 HZ1 LYS 14 -4.025 -5.176 3.810
115 2HZ LYS 14 HZ2 LYS 14 -3.674 -4.867 5.441
116 3HZ LYS 14 HZ3 LYS 14 -2.541 -5.670 4.465
117 H GLN 15 HN GLN 15 -1.168 -2.774 -1.933
118 HA GLN 15 HA GLN 15 0.972 -4.128 -3.368
119 1HB GLN 15 HB2 GLN 15 -1.389 -3.546 -4.163
120 2HB GLN 15 HB1 GLN 15 -0.838 -1.876 -4.296
121 1HG GLN 15 HG2 GLN 15 1.038 -2.735 -5.784
122 2HG GLN 15 HG1 GLN 15 0.195 -4.284 -5.810
123 1HE2 GLN 15 1HE2 GLN 15 -1.923 -4.369 -6.892
124 2HE2 GLN 15 2HE2 GLN 15 -2.409 -3.137 -7.954
125 H ILE 16 HN ILE 16 0.279 -0.792 -2.390
126 HA ILE 16 HA ILE 16 2.612 0.424 -3.580
127 HB ILE 16 HB ILE 16 0.713 1.149 -1.329
128 1HG1 ILE 16 2HG1 ILE 16 -0.263 1.083 -3.587
129 2HG1 ILE 16 1HG1 ILE 16 -0.166 2.746 -3.010
130 1HG2 ILE 16 1HG2 ILE 16 3.094 2.628 -2.421
131 2HG2 ILE 16 2HG2 ILE 16 2.568 2.449 -0.746
132 3HG2 ILE 16 3HG2 ILE 16 1.694 3.527 -1.835
133 1HD1 ILE 16 1HD1 ILE 16 1.124 1.518 -5.318
134 2HD1 ILE 16 2HD1 ILE 16 2.294 2.316 -4.267
135 3HD1 ILE 16 3HD1 ILE 16 0.933 3.226 -4.922
136 H ASN 17 HN ASN 17 1.904 -1.024 -0.441
137 HA ASN 17 HA ASN 17 4.322 -0.294 0.931
138 1HB ASN 17 HB2 ASN 17 1.927 -1.732 1.383
139 2HB ASN 17 HB1 ASN 17 3.232 -2.868 1.711
140 1HD2 ASN 17 1HD2 ASN 17 4.925 -2.125 3.312
141 2HD2 ASN 17 2HD2 ASN 17 4.479 -1.014 4.515
142 H ARG 18 HN ARG 18 3.422 -3.158 -1.016
143 HA ARG 18 HA ARG 18 5.777 -4.707 -0.628
144 1HB ARG 18 HB2 ARG 18 3.888 -5.701 -1.666
145 2HB ARG 18 HB1 ARG 18 3.734 -4.392 -2.834
146 1HG ARG 18 HG2 ARG 18 4.649 -6.334 -3.968
147 2HG ARG 18 HG1 ARG 18 5.910 -5.110 -3.848
148 1HD ARG 18 HD2 ARG 18 6.173 -6.584 -1.478
149 2HD ARG 18 HD1 ARG 18 5.864 -7.803 -2.731
150 HE ARG 18 HE ARG 18 8.207 -6.038 -2.600
151 1HH1 ARG 18 1HH2 ARG 18 8.352 -8.896 -3.460
152 2HH1 ARG 18 2HH2 ARG 18 8.545 -8.759 -5.175
153 1HH2 ARG 18 1HH1 ARG 18 7.490 -5.450 -5.297
154 2HH2 ARG 18 2HH1 ARG 18 8.056 -6.804 -6.219
155 H GLY 19 HN GLY 19 5.050 -2.228 -3.122
156 1HA GLY 19 HA2 GLY 19 7.685 -2.406 -4.339
157 2HA GLY 19 HA1 GLY 19 6.486 -1.152 -4.652
158 H LEU 20 HN LEU 20 6.250 -0.536 -1.733
159 HA LEU 20 HA LEU 20 8.365 1.459 -1.587
160 1HB LEU 20 HB2 LEU 20 6.177 2.006 -0.792
161 2HB LEU 20 HB1 LEU 20 6.089 0.541 0.181
162 HG LEU 20 HG LEU 20 7.880 1.392 1.644
163 1HD1 LEU 20 1HD1 LEU 20 8.590 3.780 1.371
164 2HD1 LEU 20 2HD1 LEU 20 7.735 3.819 -0.172
165 3HD1 LEU 20 3HD1 LEU 20 9.120 2.747 0.044
166 1HD2 LEU 20 1HD2 LEU 20 6.573 3.070 2.771
167 2HD2 LEU 20 2HD2 LEU 20 5.431 1.952 2.023
168 3HD2 LEU 20 3HD2 LEU 20 5.752 3.518 1.276
169 H LYS 21 HN LYS 21 7.603 -1.528 0.197
170 HA LYS 21 HA LYS 21 9.884 -1.285 1.985
171 1HB LYS 21 HB2 LYS 21 9.117 -3.414 2.824
172 2HB LYS 21 HB1 LYS 21 7.692 -2.449 2.446
173 1HG LYS 21 HG2 LYS 21 6.984 -4.186 1.193
174 2HG LYS 21 HG1 LYS 21 8.264 -3.780 0.054
175 1HD LYS 21 HD2 LYS 21 8.791 -5.998 0.507
176 2HD LYS 21 HD1 LYS 21 9.764 -5.178 1.730
177 1HE LYS 21 HE2 LYS 21 8.688 -6.640 3.149
178 2HE LYS 21 HE1 LYS 21 7.397 -5.426 3.074
179 1HZ LYS 21 HZ1 LYS 21 6.556 -7.627 2.491
180 2HZ LYS 21 HZ2 LYS 21 7.698 -7.751 1.240
181 3HZ LYS 21 HZ3 LYS 21 6.468 -6.580 1.161
182 H LYS 22 HN LYS 22 9.416 -2.727 -1.185
183 HA LYS 22 HA LYS 22 11.802 -4.420 -1.017
184 1HB LYS 22 HB2 LYS 22 11.247 -4.988 -3.289
185 2HB LYS 22 HB1 LYS 22 9.724 -4.831 -2.421
186 1HG LYS 22 HG2 LYS 22 9.111 -3.429 -4.089
187 2HG LYS 22 HG1 LYS 22 10.171 -2.254 -3.315
188 1HD LYS 22 HD2 LYS 22 11.228 -2.214 -5.329
189 2HD LYS 22 HD1 LYS 22 11.977 -3.708 -4.767
190 1HE LYS 22 HE2 LYS 22 9.351 -4.260 -5.885
191 2HE LYS 22 HE1 LYS 22 10.371 -3.412 -7.062
192 1HZ LYS 22 HZ1 LYS 22 12.056 -4.996 -6.861
193 2HZ LYS 22 HZ2 LYS 22 10.639 -5.931 -6.893
194 3HZ LYS 22 HZ3 LYS 22 11.429 -5.636 -5.420
195 H ILE 23 HN ILE 23 11.143 -1.110 -1.863
196 HA ILE 23 HA ILE 23 13.638 -0.726 -3.371
197 HB ILE 23 HB ILE 23 11.418 1.042 -2.312
198 1HG1 ILE 23 2HG1 ILE 23 11.003 -0.354 -4.340
199 2HG1 ILE 23 1HG1 ILE 23 10.942 1.372 -4.690
200 1HG2 ILE 23 1HG2 ILE 23 14.057 1.817 -3.548
201 2HG2 ILE 23 2HG2 ILE 23 13.244 2.520 -2.150
202 3HG2 ILE 23 3HG2 ILE 23 12.628 2.826 -3.774
203 1HD1 ILE 23 1HD1 ILE 23 13.354 1.229 -5.423
204 2HD1 ILE 23 2HD1 ILE 23 12.239 0.312 -6.435
205 3HD1 ILE 23 3HD1 ILE 23 13.242 -0.523 -5.250
206 H VAL 24 HN VAL 24 12.353 0.066 -0.155
207 HA VAL 24 HA VAL 24 14.757 1.355 0.826
208 HB VAL 24 HB VAL 24 12.385 0.035 2.196
209 1HG1 VAL 24 1HG1 VAL 24 13.216 1.840 3.991
210 2HG1 VAL 24 2HG1 VAL 24 14.773 1.495 3.238
211 3HG1 VAL 24 3HG1 VAL 24 13.842 0.192 3.977
212 1HG2 VAL 24 1HG2 VAL 24 11.377 2.168 2.214
213 2HG2 VAL 24 2HG2 VAL 24 12.103 2.082 0.610
214 3HG2 VAL 24 3HG2 VAL 24 12.901 2.992 1.891
215 H LEU 25 HN LEU 25 13.504 -1.947 0.856
216 HA LEU 25 HA LEU 25 15.567 -3.048 2.589
217 1HB LEU 25 HB2 LEU 25 13.446 -4.152 2.431
218 2HB LEU 25 HB1 LEU 25 13.492 -4.142 0.671
219 HG LEU 25 HG LEU 25 15.355 -5.732 0.682
220 1HD1 LEU 25 1HD1 LEU 25 15.104 -5.436 3.686
221 2HD1 LEU 25 2HD1 LEU 25 16.534 -5.165 2.689
222 3HD1 LEU 25 3HD1 LEU 25 15.928 -6.802 2.933
223 1HD2 LEU 25 1HD2 LEU 25 13.101 -6.625 2.506
224 2HD2 LEU 25 2HD2 LEU 25 14.146 -7.682 1.557
225 3HD2 LEU 25 3HD2 LEU 25 13.025 -6.588 0.745
226 H GLY 26 HN GLY 26 15.091 -2.760 -0.930
227 1HA GLY 26 HA2 GLY 26 17.436 -4.315 -1.631
228 2HA GLY 26 HA1 GLY 26 16.519 -3.281 -2.725
229 H TRP 27 HN TRP 27 16.763 -0.788 -1.508
230 HA TRP 27 HA TRP 27 19.737 -0.356 -1.435
231 1HB TRP 27 HB2 TRP 27 17.530 0.882 -3.035
232 2HB TRP 27 HB1 TRP 27 18.887 1.905 -2.568
233 HD1 TRP 27 HD1 TRP 27 17.860 -0.467 -5.161
234 HE1 TRP 27 HE1 TRP 27 19.880 -1.232 -6.569
235 HE3 TRP 27 HE3 TRP 27 21.677 1.215 -2.215
236 HZ2 TRP 27 HZ2 TRP 27 22.736 -1.144 -6.458
237 HZ3 TRP 27 HZ3 TRP 27 24.035 0.861 -2.889
238 HH2 TRP 27 HH2 TRP 27 24.569 -0.315 -5.006
239 H ALA 28 HN ALA 28 20.441 0.902 0.251
240 HA ALA 28 HA ALA 28 18.404 2.472 1.802
241 1HB ALA 28 HB1 ALA 28 20.760 0.896 2.888
242 2HB ALA 28 HB2 ALA 28 19.111 0.273 2.818
243 3HB ALA 28 HB3 ALA 28 19.483 1.671 3.827
Start of MODEL 25
1 1H SER 1 HT1 SER 1 -21.984 9.189 0.335
2 2H SER 1 HT2 SER 1 -21.667 10.435 1.446
3 3H SER 1 HT3 SER 1 -23.215 9.736 1.369
4 HA SER 1 HA SER 1 -22.007 8.900 3.302
5 1HB SER 1 HB2 SER 1 -22.589 7.083 0.951
6 2HB SER 1 HB1 SER 1 -22.236 6.455 2.559
7 HG SER 1 HG SER 1 -24.485 6.751 2.201
8 H GLY 2 HN GLY 2 -20.204 7.536 4.046
9 1HA GLY 2 HA2 GLY 2 -17.691 8.187 2.755
10 2HA GLY 2 HA1 GLY 2 -17.885 7.150 4.168
11 H ASN 3 HN ASN 3 -19.744 5.298 2.901
12 HA ASN 3 HA ASN 3 -19.760 3.368 1.545
13 1HB ASN 3 HB2 ASN 3 -18.965 5.389 -0.069
14 2HB ASN 3 HB1 ASN 3 -17.517 4.385 -0.134
15 1HD2 ASN 3 1HD2 ASN 3 -17.585 2.763 -1.708
16 2HD2 ASN 3 2HD2 ASN 3 -19.005 2.096 -2.354
17 H TYR 4 HN TYR 4 -18.044 1.663 0.633
18 HA TYR 4 HA TYR 4 -16.100 1.201 2.844
19 1HB TYR 4 HB2 TYR 4 -16.227 -1.122 2.108
20 2HB TYR 4 HB1 TYR 4 -17.857 -0.477 2.267
21 HD1 TYR 4 HD1 TYR 4 -15.184 -1.343 -0.167
22 HD2 TYR 4 HD2 TYR 4 -19.312 -0.286 0.364
23 HE1 TYR 4 HE1 TYR 4 -15.639 -1.936 -2.529
24 HE2 TYR 4 HE2 TYR 4 -19.766 -0.878 -2.000
25 HH TYR 4 HH TYR 4 -18.295 -2.685 -3.757
26 H VAL 5 HN VAL 5 -15.959 2.618 -0.156
27 HA VAL 5 HA VAL 5 -13.720 1.336 -1.414
28 HB VAL 5 HB VAL 5 -15.253 2.923 -2.524
29 1HG1 VAL 5 1HG1 VAL 5 -15.390 4.432 -0.435
30 2HG1 VAL 5 2HG1 VAL 5 -15.352 5.234 -2.004
31 3HG1 VAL 5 3HG1 VAL 5 -13.893 5.160 -1.016
32 1HG2 VAL 5 1HG2 VAL 5 -12.660 4.392 -2.614
33 2HG2 VAL 5 2HG2 VAL 5 -13.643 3.763 -3.937
34 3HG2 VAL 5 3HG2 VAL 5 -12.620 2.672 -3.002
35 H LEU 6 HN LEU 6 -13.857 4.053 0.947
36 HA LEU 6 HA LEU 6 -11.038 4.587 0.995
37 1HB LEU 6 HB2 LEU 6 -11.574 5.714 3.118
38 2HB LEU 6 HB1 LEU 6 -12.829 6.049 1.929
39 HG LEU 6 HG LEU 6 -13.772 3.750 3.123
40 1HD1 LEU 6 1HD1 LEU 6 -12.702 5.494 5.352
41 2HD1 LEU 6 2HD1 LEU 6 -11.867 4.040 4.801
42 3HD1 LEU 6 3HD1 LEU 6 -13.486 3.920 5.489
43 1HD2 LEU 6 1HD2 LEU 6 -14.889 5.998 2.583
44 2HD2 LEU 6 2HD2 LEU 6 -14.351 6.524 4.178
45 3HD2 LEU 6 3HD2 LEU 6 -15.463 5.163 4.027
46 H ASP 7 HN ASP 7 -13.026 2.135 2.556
47 HA ASP 7 HA ASP 7 -10.989 1.179 4.405
48 1HB ASP 7 HB2 ASP 7 -13.738 0.600 3.555
49 2HB ASP 7 HB1 ASP 7 -12.818 -0.871 3.861
50 H LEU 8 HN LEU 8 -11.986 0.476 1.087
51 HA LEU 8 HA LEU 8 -10.358 -1.914 0.745
52 1HB LEU 8 HB2 LEU 8 -12.359 -0.429 -0.619
53 2HB LEU 8 HB1 LEU 8 -10.971 -0.512 -1.701
54 HG LEU 8 HG LEU 8 -11.075 -3.071 -0.665
55 1HD1 LEU 8 1HD1 LEU 8 -13.300 -2.448 0.352
56 2HD1 LEU 8 2HD1 LEU 8 -13.374 -3.809 -0.766
57 3HD1 LEU 8 3HD1 LEU 8 -13.914 -2.213 -1.283
58 1HD2 LEU 8 1HD2 LEU 8 -11.703 -3.711 -2.884
59 2HD2 LEU 8 2HD2 LEU 8 -10.792 -2.212 -3.061
60 3HD2 LEU 8 3HD2 LEU 8 -12.553 -2.191 -3.159
61 H ILE 9 HN ILE 9 -9.822 1.556 0.352
62 HA ILE 9 HA ILE 9 -7.574 1.631 -1.350
63 HB ILE 9 HB ILE 9 -8.337 3.196 1.133
64 1HG1 ILE 9 2HG1 ILE 9 -9.803 3.252 -0.943
65 2HG1 ILE 9 1HG1 ILE 9 -9.196 4.820 -0.417
66 1HG2 ILE 9 1HG2 ILE 9 -6.057 3.624 -0.803
67 2HG2 ILE 9 2HG2 ILE 9 -6.004 3.597 0.959
68 3HG2 ILE 9 3HG2 ILE 9 -6.753 4.955 0.120
69 1HD1 ILE 9 1HD1 ILE 9 -7.372 4.665 -2.086
70 2HD1 ILE 9 2HD1 ILE 9 -8.956 4.575 -2.854
71 3HD1 ILE 9 3HD1 ILE 9 -8.004 3.109 -2.623
72 H TYR 10 HN TYR 10 -7.837 0.557 1.977
73 HA TYR 10 HA TYR 10 -5.130 0.551 2.813
74 1HB TYR 10 HB2 TYR 10 -6.112 -0.447 4.612
75 2HB TYR 10 HB1 TYR 10 -7.625 -0.283 3.737
76 HD1 TYR 10 HD1 TYR 10 -8.594 -2.212 2.511
77 HD2 TYR 10 HD2 TYR 10 -4.968 -2.588 4.784
78 HE1 TYR 10 HE1 TYR 10 -8.801 -4.678 2.432
79 HE2 TYR 10 HE2 TYR 10 -5.175 -5.056 4.702
80 HH TYR 10 HH TYR 10 -7.570 -6.690 4.311
81 H SER 11 HN SER 11 -6.917 -1.859 0.877
82 HA SER 11 HA SER 11 -4.703 -3.739 0.686
83 1HB SER 11 HB2 SER 11 -7.256 -4.086 0.417
84 2HB SER 11 HB1 SER 11 -7.051 -3.440 -1.207
85 HG SER 11 HG SER 11 -6.101 -5.824 -0.067
86 H LEU 12 HN LEU 12 -6.016 -1.144 -1.373
87 HA LEU 12 HA LEU 12 -4.301 -1.497 -3.638
88 1HB LEU 12 HB2 LEU 12 -6.398 0.128 -2.866
89 2HB LEU 12 HB1 LEU 12 -5.048 1.261 -2.888
90 HG LEU 12 HG LEU 12 -6.122 1.213 -5.081
91 1HD1 LEU 12 1HD1 LEU 12 -4.175 0.878 -6.420
92 2HD1 LEU 12 2HD1 LEU 12 -3.534 -0.337 -5.312
93 3HD1 LEU 12 3HD1 LEU 12 -3.579 1.359 -4.831
94 1HD2 LEU 12 1HD2 LEU 12 -5.325 -1.680 -5.375
95 2HD2 LEU 12 2HD2 LEU 12 -6.477 -0.751 -6.332
96 3HD2 LEU 12 3HD2 LEU 12 -6.891 -1.244 -4.691
97 H HIS 13 HN HIS 13 -3.958 0.375 -0.648
98 HA HIS 13 HA HIS 13 -1.448 1.630 -1.299
99 1HB HIS 13 HB2 HIS 13 -3.312 2.005 0.572
100 2HB HIS 13 HB1 HIS 13 -2.248 0.956 1.511
101 HD1 HIS 13 HD1 HIS 13 -2.426 4.347 -0.065
102 HD2 HIS 13 HD2 HIS 13 0.322 2.071 2.082
103 HE1 HIS 13 HE1 HIS 13 -0.561 5.924 0.607
104 H LYS 14 HN LYS 14 -2.297 -1.451 0.268
105 HA LYS 14 HA LYS 14 0.279 -2.179 1.245
106 1HB LYS 14 HB2 LYS 14 -2.281 -3.261 1.101
107 2HB LYS 14 HB1 LYS 14 -1.318 -4.370 0.124
108 1HG LYS 14 HG2 LYS 14 -0.446 -3.466 2.876
109 2HG LYS 14 HG1 LYS 14 -1.445 -4.895 2.621
110 1HD LYS 14 HD2 LYS 14 0.410 -6.084 2.171
111 2HD LYS 14 HD1 LYS 14 0.700 -5.060 0.767
112 1HE LYS 14 HE2 LYS 14 2.649 -4.581 1.912
113 2HE LYS 14 HE1 LYS 14 1.602 -3.409 2.736
114 1HZ LYS 14 HZ1 LYS 14 1.066 -5.088 4.389
115 2HZ LYS 14 HZ2 LYS 14 2.748 -4.847 4.327
116 3HZ LYS 14 HZ3 LYS 14 2.058 -6.220 3.603
117 H GLN 15 HN GLN 15 -1.163 -2.449 -1.968
118 HA GLN 15 HA GLN 15 0.877 -4.079 -3.186
119 1HB GLN 15 HB2 GLN 15 -1.124 -2.045 -4.206
120 2HB GLN 15 HB1 GLN 15 -0.093 -2.977 -5.290
121 1HG GLN 15 HG2 GLN 15 -1.019 -5.066 -4.470
122 2HG GLN 15 HG1 GLN 15 -1.942 -4.216 -3.231
123 1HE2 GLN 15 1HE2 GLN 15 -1.878 -5.092 -6.631
124 2HE2 GLN 15 2HE2 GLN 15 -3.379 -4.407 -7.030
125 H ILE 16 HN ILE 16 0.413 -0.568 -2.943
126 HA ILE 16 HA ILE 16 2.812 0.192 -4.366
127 HB ILE 16 HB ILE 16 1.086 1.581 -2.283
128 1HG1 ILE 16 2HG1 ILE 16 1.064 2.278 -5.189
129 2HG1 ILE 16 1HG1 ILE 16 0.277 0.772 -4.712
130 1HG2 ILE 16 1HG2 ILE 16 3.332 2.617 -2.475
131 2HG2 ILE 16 2HG2 ILE 16 2.069 3.674 -3.106
132 3HG2 ILE 16 3HG2 ILE 16 3.098 2.772 -4.216
133 1HD1 ILE 16 1HD1 ILE 16 -0.724 2.390 -2.809
134 2HD1 ILE 16 2HD1 ILE 16 -1.502 2.184 -4.378
135 3HD1 ILE 16 3HD1 ILE 16 -0.470 3.584 -4.083
136 H ASN 17 HN ASN 17 2.021 -0.431 -0.979
137 HA ASN 17 HA ASN 17 4.561 0.372 0.145
138 1HB ASN 17 HB2 ASN 17 2.017 -0.761 0.956
139 2HB ASN 17 HB1 ASN 17 3.342 -1.598 1.765
140 1HD2 ASN 17 1HD2 ASN 17 5.006 -0.099 2.860
141 2HD2 ASN 17 2HD2 ASN 17 4.434 1.353 3.528
142 H ARG 18 HN ARG 18 3.308 -2.678 -1.192
143 HA ARG 18 HA ARG 18 5.317 -4.471 -0.259
144 1HB ARG 18 HB2 ARG 18 3.416 -4.277 -2.562
145 2HB ARG 18 HB1 ARG 18 4.692 -5.488 -2.671
146 1HG ARG 18 HG2 ARG 18 4.000 -6.479 -0.558
147 2HG ARG 18 HG1 ARG 18 2.804 -5.205 -0.316
148 1HD ARG 18 HD2 ARG 18 1.396 -6.760 -1.278
149 2HD ARG 18 HD1 ARG 18 2.058 -6.094 -2.784
150 HE ARG 18 HE ARG 18 3.932 -7.946 -2.280
151 1HH1 ARG 18 1HH1 ARG 18 2.036 -9.213 -0.268
152 2HH1 ARG 18 2HH1 ARG 18 1.271 -10.427 -1.235
153 1HH2 ARG 18 1HH2 ARG 18 2.292 -9.034 -4.252
154 2HH2 ARG 18 2HH2 ARG 18 1.417 -10.326 -3.501
155 H GLY 19 HN GLY 19 5.185 -2.658 -3.360
156 1HA GLY 19 HA2 GLY 19 7.851 -3.380 -4.179
157 2HA GLY 19 HA1 GLY 19 6.907 -2.042 -4.840
158 H LEU 20 HN LEU 20 6.498 -0.576 -2.450
159 HA LEU 20 HA LEU 20 8.879 0.992 -2.276
160 1HB LEU 20 HB2 LEU 20 6.688 1.887 -1.777
161 2HB LEU 20 HB1 LEU 20 6.426 0.679 -0.521
162 HG LEU 20 HG LEU 20 8.238 1.651 0.822
163 1HD1 LEU 20 1HD1 LEU 20 8.523 3.440 -1.594
164 2HD1 LEU 20 2HD1 LEU 20 9.771 2.506 -0.769
165 3HD1 LEU 20 3HD1 LEU 20 9.097 3.946 -0.004
166 1HD2 LEU 20 1HD2 LEU 20 7.129 3.730 1.423
167 2HD2 LEU 20 2HD2 LEU 20 5.897 2.545 0.987
168 3HD2 LEU 20 3HD2 LEU 20 6.346 3.811 -0.155
169 H LYS 21 HN LYS 21 7.562 -1.520 -0.133
170 HA LYS 21 HA LYS 21 9.514 -1.383 1.944
171 1HB LYS 21 HB2 LYS 21 7.319 -2.569 2.000
172 2HB LYS 21 HB1 LYS 21 7.961 -3.761 0.870
173 1HG LYS 21 HG2 LYS 21 9.728 -3.367 3.163
174 2HG LYS 21 HG1 LYS 21 8.116 -3.892 3.649
175 1HD LYS 21 HD2 LYS 21 8.347 -5.947 2.684
176 2HD LYS 21 HD1 LYS 21 9.250 -5.310 1.310
177 1HE LYS 21 HE2 LYS 21 11.301 -5.419 2.434
178 2HE LYS 21 HE1 LYS 21 10.538 -5.350 4.036
179 1HZ LYS 21 HZ1 LYS 21 11.245 -7.610 3.507
180 2HZ LYS 21 HZ2 LYS 21 10.294 -7.599 2.099
181 3HZ LYS 21 HZ3 LYS 21 9.556 -7.523 3.629
182 H LYS 22 HN LYS 22 9.490 -3.136 -1.134
183 HA LYS 22 HA LYS 22 11.890 -4.678 -0.688
184 1HB LYS 22 HB2 LYS 22 10.134 -5.162 -2.379
185 2HB LYS 22 HB1 LYS 22 10.566 -3.684 -3.237
186 1HG LYS 22 HG2 LYS 22 12.937 -5.267 -2.761
187 2HG LYS 22 HG1 LYS 22 11.712 -6.247 -3.567
188 1HD LYS 22 HD2 LYS 22 11.414 -4.160 -5.113
189 2HD LYS 22 HD1 LYS 22 13.006 -3.699 -4.507
190 1HE LYS 22 HE2 LYS 22 13.441 -6.332 -5.126
191 2HE LYS 22 HE1 LYS 22 12.268 -5.873 -6.375
192 1HZ LYS 22 HZ1 LYS 22 14.751 -4.387 -5.681
193 2HZ LYS 22 HZ2 LYS 22 13.603 -3.894 -6.835
194 3HZ LYS 22 HZ3 LYS 22 14.507 -5.312 -7.083
195 H ILE 23 HN ILE 23 11.258 -1.477 -2.080
196 HA ILE 23 HA ILE 23 13.933 -0.951 -3.015
197 HB ILE 23 HB ILE 23 11.614 0.816 -2.174
198 1HG1 ILE 23 2HG1 ILE 23 11.200 -0.670 -4.116
199 2HG1 ILE 23 1HG1 ILE 23 11.248 1.023 -4.603
200 1HG2 ILE 23 1HG2 ILE 23 13.262 2.411 -2.118
201 2HG2 ILE 23 2HG2 ILE 23 13.013 2.380 -3.863
202 3HG2 ILE 23 3HG2 ILE 23 14.348 1.477 -3.147
203 1HD1 ILE 23 1HD1 ILE 23 13.611 -0.869 -4.793
204 2HD1 ILE 23 2HD1 ILE 23 13.527 0.781 -5.411
205 3HD1 ILE 23 3HD1 ILE 23 12.535 -0.484 -6.136
206 H VAL 24 HN VAL 24 12.222 -0.107 -0.005
207 HA VAL 24 HA VAL 24 14.505 1.181 1.242
208 HB VAL 24 HB VAL 24 11.934 -0.022 2.333
209 1HG1 VAL 24 1HG1 VAL 24 14.198 1.443 3.624
210 2HG1 VAL 24 2HG1 VAL 24 13.155 0.184 4.283
211 3HG1 VAL 24 3HG1 VAL 24 12.561 1.839 4.150
212 1HG2 VAL 24 1HG2 VAL 24 11.774 1.892 0.665
213 2HG2 VAL 24 2HG2 VAL 24 12.643 2.885 1.835
214 3HG2 VAL 24 3HG2 VAL 24 11.060 2.220 2.244
215 H LEU 25 HN LEU 25 13.333 -2.109 1.011
216 HA LEU 25 HA LEU 25 14.867 -3.242 3.188
217 1HB LEU 25 HB2 LEU 25 12.945 -4.402 2.394
218 2HB LEU 25 HB1 LEU 25 13.459 -4.269 0.715
219 HG LEU 25 HG LEU 25 15.374 -5.778 1.210
220 1HD1 LEU 25 1HD1 LEU 25 14.090 -5.751 3.944
221 2HD1 LEU 25 2HD1 LEU 25 15.781 -5.475 3.527
222 3HD1 LEU 25 3HD1 LEU 25 15.099 -7.097 3.417
223 1HD2 LEU 25 1HD2 LEU 25 14.100 -7.767 1.127
224 2HD2 LEU 25 2HD2 LEU 25 13.006 -6.541 0.486
225 3HD2 LEU 25 3HD2 LEU 25 12.828 -7.099 2.149
226 H GLY 26 HN GLY 26 15.411 -3.068 -0.365
227 1HA GLY 26 HA2 GLY 26 18.304 -3.010 0.038
228 2HA GLY 26 HA1 GLY 26 17.736 -4.530 -0.653
229 H TRP 27 HN TRP 27 18.241 -1.128 -1.254
230 HA TRP 27 HA TRP 27 17.992 -1.624 -4.169
231 1HB TRP 27 HB2 TRP 27 15.752 -0.934 -3.138
232 2HB TRP 27 HB1 TRP 27 16.496 0.628 -2.803
233 HD1 TRP 27 HD1 TRP 27 15.976 2.328 -4.600
234 HE1 TRP 27 HE1 TRP 27 15.596 2.281 -7.150
235 HE3 TRP 27 HE3 TRP 27 16.558 -2.666 -5.482
236 HZ2 TRP 27 HZ2 TRP 27 15.548 0.373 -9.282
237 HZ3 TRP 27 HZ3 TRP 27 16.343 -3.571 -7.780
238 HH2 TRP 27 HH2 TRP 27 15.838 -2.059 -9.678
239 H ALA 28 HN ALA 28 20.185 -1.099 -4.455
240 HA ALA 28 HA ALA 28 22.093 0.263 -4.673
241 1HB ALA 28 HB1 ALA 28 21.578 2.510 -5.374
242 2HB ALA 28 HB2 ALA 28 20.054 2.501 -4.486
243 3HB ALA 28 HB3 ALA 28 20.244 1.494 -5.921
Start of MODEL 26
1 1H SER 1 HT1 SER 1 -16.283 4.705 11.254
2 2H SER 1 HT2 SER 1 -16.112 3.401 10.178
3 3H SER 1 HT3 SER 1 -17.448 3.471 11.226
4 HA SER 1 HA SER 1 -18.134 4.099 8.999
5 1HB SER 1 HB2 SER 1 -17.957 6.249 11.129
6 2HB SER 1 HB1 SER 1 -18.989 6.388 9.708
7 HG SER 1 HG SER 1 -20.218 5.478 11.303
8 H GLY 2 HN GLY 2 -17.075 4.562 7.111
9 1HA GLY 2 HA2 GLY 2 -15.867 7.119 6.618
10 2HA GLY 2 HA1 GLY 2 -14.606 5.908 6.856
11 H ASN 3 HN ASN 3 -17.764 5.997 5.153
12 HA ASN 3 HA ASN 3 -18.352 5.325 2.970
13 1HB ASN 3 HB2 ASN 3 -16.318 7.076 2.815
14 2HB ASN 3 HB1 ASN 3 -15.514 5.677 2.103
15 1HD2 ASN 3 1HD2 ASN 3 -18.105 8.033 1.623
16 2HD2 ASN 3 2HD2 ASN 3 -18.468 7.575 0.030
17 H TYR 4 HN TYR 4 -17.085 3.871 1.017
18 HA TYR 4 HA TYR 4 -16.392 1.311 2.417
19 1HB TYR 4 HB2 TYR 4 -18.540 1.543 1.067
20 2HB TYR 4 HB1 TYR 4 -17.527 1.720 -0.365
21 HD1 TYR 4 HD1 TYR 4 -17.273 -0.226 -1.611
22 HD2 TYR 4 HD2 TYR 4 -17.599 -0.512 2.664
23 HE1 TYR 4 HE1 TYR 4 -17.052 -2.691 -1.757
24 HE2 TYR 4 HE2 TYR 4 -17.377 -2.976 2.516
25 HH TYR 4 HH TYR 4 -16.142 -4.580 0.287
26 H VAL 5 HN VAL 5 -15.759 3.084 -0.654
27 HA VAL 5 HA VAL 5 -13.526 1.542 -1.504
28 HB VAL 5 HB VAL 5 -13.006 3.533 -2.885
29 1HG1 VAL 5 1HG1 VAL 5 -14.904 3.364 -4.187
30 2HG1 VAL 5 2HG1 VAL 5 -15.994 3.489 -2.808
31 3HG1 VAL 5 3HG1 VAL 5 -15.150 1.974 -3.130
32 1HG2 VAL 5 1HG2 VAL 5 -13.308 5.326 -1.304
33 2HG2 VAL 5 2HG2 VAL 5 -14.993 4.883 -1.035
34 3HG2 VAL 5 3HG2 VAL 5 -14.496 5.561 -2.585
35 H LEU 6 HN LEU 6 -13.657 4.344 0.716
36 HA LEU 6 HA LEU 6 -10.873 4.835 1.013
37 1HB LEU 6 HB2 LEU 6 -13.234 5.766 2.082
38 2HB LEU 6 HB1 LEU 6 -12.532 4.929 3.466
39 HG LEU 6 HG LEU 6 -11.003 6.938 1.790
40 1HD1 LEU 6 1HD1 LEU 6 -12.075 7.511 4.538
41 2HD1 LEU 6 2HD1 LEU 6 -13.117 7.743 3.134
42 3HD1 LEU 6 3HD1 LEU 6 -11.605 8.641 3.268
43 1HD2 LEU 6 1HD2 LEU 6 -9.605 6.973 3.923
44 2HD2 LEU 6 2HD2 LEU 6 -9.531 5.473 2.999
45 3HD2 LEU 6 3HD2 LEU 6 -10.529 5.565 4.450
46 H ASP 7 HN ASP 7 -12.989 2.439 2.562
47 HA ASP 7 HA ASP 7 -11.014 1.333 4.358
48 1HB ASP 7 HB2 ASP 7 -13.692 1.119 4.015
49 2HB ASP 7 HB1 ASP 7 -13.186 -0.345 3.175
50 H LEU 8 HN LEU 8 -12.216 0.379 1.134
51 HA LEU 8 HA LEU 8 -10.538 -1.883 0.700
52 1HB LEU 8 HB2 LEU 8 -12.437 -0.268 -0.686
53 2HB LEU 8 HB1 LEU 8 -11.032 -0.444 -1.735
54 HG LEU 8 HG LEU 8 -11.377 -2.989 -0.639
55 1HD1 LEU 8 1HD1 LEU 8 -13.554 -2.692 0.187
56 2HD1 LEU 8 2HD1 LEU 8 -13.849 -3.337 -1.427
57 3HD1 LEU 8 3HD1 LEU 8 -14.010 -1.608 -1.127
58 1HD2 LEU 8 1HD2 LEU 8 -10.786 -2.231 -3.005
59 2HD2 LEU 8 2HD2 LEU 8 -12.517 -2.041 -3.283
60 3HD2 LEU 8 3HD2 LEU 8 -11.855 -3.630 -2.902
61 H ILE 9 HN ILE 9 -9.876 1.586 0.310
62 HA ILE 9 HA ILE 9 -7.567 1.545 -1.310
63 HB ILE 9 HB ILE 9 -8.407 3.206 1.078
64 1HG1 ILE 9 2HG1 ILE 9 -8.185 3.910 -1.863
65 2HG1 ILE 9 1HG1 ILE 9 -9.665 3.311 -1.121
66 1HG2 ILE 9 1HG2 ILE 9 -5.958 3.505 -0.679
67 2HG2 ILE 9 2HG2 ILE 9 -6.018 3.410 1.081
68 3HG2 ILE 9 3HG2 ILE 9 -6.633 4.841 0.255
69 1HD1 ILE 9 1HD1 ILE 9 -10.072 5.537 -0.792
70 2HD1 ILE 9 2HD1 ILE 9 -8.363 5.963 -0.871
71 3HD1 ILE 9 3HD1 ILE 9 -9.038 5.299 0.617
72 H TYR 10 HN TYR 10 -7.973 0.520 2.029
73 HA TYR 10 HA TYR 10 -5.282 0.448 2.922
74 1HB TYR 10 HB2 TYR 10 -6.290 -0.564 4.706
75 2HB TYR 10 HB1 TYR 10 -7.793 -0.307 3.837
76 HD1 TYR 10 HD1 TYR 10 -9.046 -2.158 2.959
77 HD2 TYR 10 HD2 TYR 10 -5.063 -2.766 4.445
78 HE1 TYR 10 HE1 TYR 10 -9.370 -4.606 2.818
79 HE2 TYR 10 HE2 TYR 10 -5.387 -5.218 4.302
80 HH TYR 10 HH TYR 10 -7.122 -6.749 2.685
81 H SER 11 HN SER 11 -7.118 -2.011 1.065
82 HA SER 11 HA SER 11 -4.910 -3.882 0.836
83 1HB SER 11 HB2 SER 11 -7.443 -4.266 0.606
84 2HB SER 11 HB1 SER 11 -7.305 -3.558 -1.000
85 HG SER 11 HG SER 11 -7.096 -5.920 -0.839
86 H LEU 12 HN LEU 12 -6.223 -1.281 -1.203
87 HA LEU 12 HA LEU 12 -4.575 -1.648 -3.509
88 1HB LEU 12 HB2 LEU 12 -6.463 -0.226 -3.671
89 2HB LEU 12 HB1 LEU 12 -6.051 0.632 -2.190
90 HG LEU 12 HG LEU 12 -4.065 1.603 -3.343
91 1HD1 LEU 12 1HD1 LEU 12 -4.130 1.431 -5.894
92 2HD1 LEU 12 2HD1 LEU 12 -5.237 0.075 -5.678
93 3HD1 LEU 12 3HD1 LEU 12 -3.595 -0.016 -5.040
94 1HD2 LEU 12 1HD2 LEU 12 -6.505 2.571 -3.340
95 2HD2 LEU 12 2HD2 LEU 12 -6.472 2.171 -5.057
96 3HD2 LEU 12 3HD2 LEU 12 -5.291 3.299 -4.392
97 H HIS 13 HN HIS 13 -4.090 0.101 -0.477
98 HA HIS 13 HA HIS 13 -1.584 1.347 -1.177
99 1HB HIS 13 HB2 HIS 13 -3.382 1.743 0.729
100 2HB HIS 13 HB1 HIS 13 -2.365 0.618 1.629
101 HD1 HIS 13 HD1 HIS 13 -0.028 1.420 2.336
102 HD2 HIS 13 HD2 HIS 13 -2.102 4.230 0.063
103 HE1 HIS 13 HE1 HIS 13 1.282 3.582 2.500
104 H LYS 14 HN LYS 14 -2.436 -1.823 0.151
105 HA LYS 14 HA LYS 14 0.113 -2.600 1.176
106 1HB LYS 14 HB2 LYS 14 -2.148 -4.156 -0.118
107 2HB LYS 14 HB1 LYS 14 -0.795 -4.922 0.708
108 1HG LYS 14 HG2 LYS 14 -3.010 -3.251 1.862
109 2HG LYS 14 HG1 LYS 14 -2.405 -4.812 2.400
110 1HD LYS 14 HD2 LYS 14 -0.256 -3.675 3.053
111 2HD LYS 14 HD1 LYS 14 -1.025 -2.131 2.686
112 1HE LYS 14 HE2 LYS 14 -2.424 -2.231 4.528
113 2HE LYS 14 HE1 LYS 14 -2.480 -4.005 4.518
114 1HZ LYS 14 HZ1 LYS 14 -1.089 -3.279 6.326
115 2HZ LYS 14 HZ2 LYS 14 -0.155 -2.313 5.284
116 3HZ LYS 14 HZ3 LYS 14 -0.112 -4.007 5.146
117 H GLN 15 HN GLN 15 -1.234 -2.723 -2.093
118 HA GLN 15 HA GLN 15 0.854 -4.215 -3.360
119 1HB GLN 15 HB2 GLN 15 -1.235 -2.217 -4.185
120 2HB GLN 15 HB1 GLN 15 -0.030 -2.731 -5.367
121 1HG GLN 15 HG2 GLN 15 -0.766 -4.944 -5.359
122 2HG GLN 15 HG1 GLN 15 -1.479 -4.807 -3.752
123 1HE2 GLN 15 1HE2 GLN 15 -2.100 -4.414 -7.169
124 2HE2 GLN 15 2HE2 GLN 15 -3.712 -3.903 -7.020
125 H ILE 16 HN ILE 16 0.424 -0.730 -2.843
126 HA ILE 16 HA ILE 16 2.878 0.089 -4.137
127 HB ILE 16 HB ILE 16 1.067 1.362 -2.057
128 1HG1 ILE 16 2HG1 ILE 16 1.177 2.387 -4.829
129 2HG1 ILE 16 1HG1 ILE 16 0.524 0.757 -4.677
130 1HG2 ILE 16 1HG2 ILE 16 2.916 2.715 -1.815
131 2HG2 ILE 16 2HG2 ILE 16 2.215 3.474 -3.243
132 3HG2 ILE 16 3HG2 ILE 16 3.543 2.326 -3.417
133 1HD1 ILE 16 1HD1 ILE 16 -0.700 2.079 -2.587
134 2HD1 ILE 16 2HD1 ILE 16 -1.432 1.780 -4.162
135 3HD1 ILE 16 3HD1 ILE 16 -0.638 3.320 -3.838
136 H ASN 17 HN ASN 17 1.986 -0.821 -0.847
137 HA ASN 17 HA ASN 17 4.378 -0.011 0.512
138 1HB ASN 17 HB2 ASN 17 1.936 -1.458 0.997
139 2HB ASN 17 HB1 ASN 17 3.280 -2.368 1.687
140 1HD2 ASN 17 1HD2 ASN 17 2.039 1.020 1.552
141 2HD2 ASN 17 2HD2 ASN 17 2.534 1.416 3.126
142 H ARG 18 HN ARG 18 3.517 -3.039 -1.185
143 HA ARG 18 HA ARG 18 5.844 -4.546 -0.435
144 1HB ARG 18 HB2 ARG 18 3.857 -4.579 -2.708
145 2HB ARG 18 HB1 ARG 18 5.196 -5.727 -2.669
146 1HG ARG 18 HG2 ARG 18 4.269 -6.932 -0.985
147 2HG ARG 18 HG1 ARG 18 3.772 -5.486 -0.105
148 1HD ARG 18 HD2 ARG 18 1.649 -5.751 -0.840
149 2HD ARG 18 HD1 ARG 18 2.209 -5.698 -2.523
150 HE ARG 18 HE ARG 18 2.109 -8.184 -0.859
151 1HH1 ARG 18 1HH1 ARG 18 0.454 -7.200 -3.394
152 2HH1 ARG 18 2HH1 ARG 18 1.080 -8.309 -4.569
153 1HH2 ARG 18 1HH2 ARG 18 3.737 -9.328 -2.569
154 2HH2 ARG 18 2HH2 ARG 18 2.949 -9.518 -4.099
155 H GLY 19 HN GLY 19 5.152 -2.543 -3.328
156 1HA GLY 19 HA2 GLY 19 7.790 -2.852 -4.474
157 2HA GLY 19 HA1 GLY 19 6.607 -1.626 -4.935
158 H LEU 20 HN LEU 20 6.367 -0.649 -2.129
159 HA LEU 20 HA LEU 20 8.559 1.281 -2.178
160 1HB LEU 20 HB2 LEU 20 6.348 1.994 -1.560
161 2HB LEU 20 HB1 LEU 20 6.191 0.693 -0.384
162 HG LEU 20 HG LEU 20 8.028 1.717 0.949
163 1HD1 LEU 20 1HD1 LEU 20 8.713 4.040 0.385
164 2HD1 LEU 20 2HD1 LEU 20 7.782 3.934 -1.110
165 3HD1 LEU 20 3HD1 LEU 20 9.186 2.893 -0.869
166 1HD2 LEU 20 1HD2 LEU 20 5.651 2.244 1.425
167 2HD2 LEU 20 2HD2 LEU 20 5.741 3.607 0.310
168 3HD2 LEU 20 3HD2 LEU 20 6.702 3.613 1.787
169 H LYS 21 HN LYS 21 7.630 -1.507 -0.210
170 HA LYS 21 HA LYS 21 9.605 -1.218 1.854
171 1HB LYS 21 HB2 LYS 21 7.560 -2.588 2.006
172 2HB LYS 21 HB1 LYS 21 8.176 -3.654 0.744
173 1HG LYS 21 HG2 LYS 21 10.190 -3.409 2.769
174 2HG LYS 21 HG1 LYS 21 8.660 -3.796 3.555
175 1HD LYS 21 HD2 LYS 21 9.470 -5.302 1.084
176 2HD LYS 21 HD1 LYS 21 10.178 -5.741 2.638
177 1HE LYS 21 HE2 LYS 21 8.237 -6.680 3.386
178 2HE LYS 21 HE1 LYS 21 7.245 -5.369 2.720
179 1HZ LYS 21 HZ1 LYS 21 8.622 -7.214 0.883
180 2HZ LYS 21 HZ2 LYS 21 7.194 -6.327 0.645
181 3HZ LYS 21 HZ3 LYS 21 7.181 -7.716 1.622
182 H LYS 22 HN LYS 22 9.587 -3.258 -1.093
183 HA LYS 22 HA LYS 22 12.141 -4.447 -0.753
184 1HB LYS 22 HB2 LYS 22 12.000 -4.795 -3.219
185 2HB LYS 22 HB1 LYS 22 10.488 -5.179 -2.401
186 1HG LYS 22 HG2 LYS 22 9.491 -3.790 -3.876
187 2HG LYS 22 HG1 LYS 22 10.240 -2.470 -2.980
188 1HD LYS 22 HD2 LYS 22 11.312 -1.948 -4.897
189 2HD LYS 22 HD1 LYS 22 12.291 -3.388 -4.622
190 1HE LYS 22 HE2 LYS 22 10.143 -4.565 -5.755
191 2HE LYS 22 HE1 LYS 22 10.038 -2.973 -6.531
192 1HZ LYS 22 HZ1 LYS 22 11.515 -4.412 -7.782
193 2HZ LYS 22 HZ2 LYS 22 12.459 -4.698 -6.399
194 3HZ LYS 22 HZ3 LYS 22 12.402 -3.144 -7.086
195 H ILE 23 HN ILE 23 11.325 -1.201 -1.830
196 HA ILE 23 HA ILE 23 13.862 -0.549 -3.052
197 HB ILE 23 HB ILE 23 11.588 1.025 -1.818
198 1HG1 ILE 23 2HG1 ILE 23 12.531 0.974 -4.690
199 2HG1 ILE 23 1HG1 ILE 23 11.421 -0.245 -4.063
200 1HG2 ILE 23 1HG2 ILE 23 13.275 2.595 -1.513
201 2HG2 ILE 23 2HG2 ILE 23 12.812 2.945 -3.178
202 3HG2 ILE 23 3HG2 ILE 23 14.243 1.968 -2.848
203 1HD1 ILE 23 1HD1 ILE 23 10.979 2.691 -4.465
204 2HD1 ILE 23 2HD1 ILE 23 10.103 1.870 -3.172
205 3HD1 ILE 23 3HD1 ILE 23 9.913 1.339 -4.843
206 H VAL 24 HN VAL 24 12.521 0.022 0.200
207 HA VAL 24 HA VAL 24 15.028 1.078 1.271
208 HB VAL 24 HB VAL 24 12.423 0.136 2.522
209 1HG1 VAL 24 1HG1 VAL 24 13.753 0.118 4.397
210 2HG1 VAL 24 2HG1 VAL 24 13.441 1.852 4.334
211 3HG1 VAL 24 3HG1 VAL 24 14.949 1.204 3.690
212 1HG2 VAL 24 1HG2 VAL 24 13.502 2.868 1.761
213 2HG2 VAL 24 2HG2 VAL 24 12.067 2.627 2.757
214 3HG2 VAL 24 3HG2 VAL 24 12.088 2.058 1.087
215 H LEU 25 HN LEU 25 13.362 -2.027 1.212
216 HA LEU 25 HA LEU 25 14.986 -3.411 3.147
217 1HB LEU 25 HB2 LEU 25 12.778 -4.169 2.405
218 2HB LEU 25 HB1 LEU 25 13.357 -4.324 0.749
219 HG LEU 25 HG LEU 25 15.099 -5.970 1.712
220 1HD1 LEU 25 1HD1 LEU 25 14.798 -5.459 4.076
221 2HD1 LEU 25 2HD1 LEU 25 14.298 -7.124 3.787
222 3HD1 LEU 25 3HD1 LEU 25 13.083 -5.860 3.977
223 1HD2 LEU 25 1HD2 LEU 25 13.390 -6.857 0.329
224 2HD2 LEU 25 2HD2 LEU 25 12.132 -6.503 1.516
225 3HD2 LEU 25 3HD2 LEU 25 13.286 -7.805 1.814
226 H GLY 26 HN GLY 26 15.240 -2.984 -0.391
227 1HA GLY 26 HA2 GLY 26 17.614 -4.681 -0.590
228 2HA GLY 26 HA1 GLY 26 16.925 -3.707 -1.887
229 H TRP 27 HN TRP 27 16.947 -1.170 -0.603
230 HA TRP 27 HA TRP 27 19.880 -0.622 -0.628
231 1HB TRP 27 HB2 TRP 27 18.326 0.526 -2.207
232 2HB TRP 27 HB1 TRP 27 17.461 1.206 -0.829
233 HD1 TRP 27 HD1 TRP 27 18.548 3.201 0.454
234 HE1 TRP 27 HE1 TRP 27 20.590 4.704 -0.013
235 HE3 TRP 27 HE3 TRP 27 20.787 0.517 -3.271
236 HZ2 TRP 27 HZ2 TRP 27 22.870 4.761 -1.738
237 HZ3 TRP 27 HZ3 TRP 27 22.891 1.319 -4.306
238 HH2 TRP 27 HH2 TRP 27 23.935 3.435 -3.546
239 H ALA 28 HN ALA 28 20.687 -0.783 1.448
240 HA ALA 28 HA ALA 28 20.988 -0.356 3.742
241 1HB ALA 28 HB1 ALA 28 21.034 1.927 2.744
242 2HB ALA 28 HB2 ALA 28 20.381 1.939 4.383
243 3HB ALA 28 HB3 ALA 28 19.293 2.054 3.000
Start of MODEL 27
1 1H SER 1 HT1 SER 1 -14.966 8.438 10.415
2 2H SER 1 HT2 SER 1 -14.430 7.927 8.885
3 3H SER 1 HT3 SER 1 -13.943 7.091 10.281
4 HA SER 1 HA SER 1 -16.356 6.549 10.685
5 1HB SER 1 HB2 SER 1 -16.507 7.545 7.820
6 2HB SER 1 HB1 SER 1 -17.845 6.934 8.790
7 HG SER 1 HG SER 1 -18.052 8.908 9.456
8 H GLY 2 HN GLY 2 -14.939 6.271 7.390
9 1HA GLY 2 HA2 GLY 2 -13.571 4.005 7.273
10 2HA GLY 2 HA1 GLY 2 -15.160 3.316 7.608
11 H ASN 3 HN ASN 3 -16.925 4.500 6.086
12 HA ASN 3 HA ASN 3 -17.747 4.785 3.893
13 1HB ASN 3 HB2 ASN 3 -15.643 6.390 4.072
14 2HB ASN 3 HB1 ASN 3 -14.932 5.235 2.944
15 1HD2 ASN 3 1HD2 ASN 3 -17.731 7.443 3.352
16 2HD2 ASN 3 2HD2 ASN 3 -18.039 7.605 1.690
17 H TYR 4 HN TYR 4 -16.900 3.982 1.434
18 HA TYR 4 HA TYR 4 -16.450 1.054 1.808
19 1HB TYR 4 HB2 TYR 4 -18.367 2.523 0.461
20 2HB TYR 4 HB1 TYR 4 -17.254 2.081 -0.833
21 HD1 TYR 4 HD1 TYR 4 -16.835 -0.272 -1.395
22 HD2 TYR 4 HD2 TYR 4 -19.605 0.829 1.700
23 HE1 TYR 4 HE1 TYR 4 -17.758 -2.572 -1.402
24 HE2 TYR 4 HE2 TYR 4 -20.528 -1.472 1.691
25 HH TYR 4 HH TYR 4 -19.174 -3.991 0.721
26 H VAL 5 HN VAL 5 -15.572 3.635 -0.547
27 HA VAL 5 HA VAL 5 -13.427 2.119 -1.740
28 HB VAL 5 HB VAL 5 -12.876 4.277 -2.803
29 1HG1 VAL 5 1HG1 VAL 5 -14.874 4.511 -4.010
30 2HG1 VAL 5 2HG1 VAL 5 -15.878 4.214 -2.591
31 3HG1 VAL 5 3HG1 VAL 5 -15.008 2.882 -3.349
32 1HG2 VAL 5 1HG2 VAL 5 -13.052 5.836 -0.995
33 2HG2 VAL 5 2HG2 VAL 5 -14.726 5.383 -0.675
34 3HG2 VAL 5 3HG2 VAL 5 -14.319 6.278 -2.138
35 H LEU 6 HN LEU 6 -13.451 4.603 0.854
36 HA LEU 6 HA LEU 6 -10.609 4.799 1.186
37 1HB LEU 6 HB2 LEU 6 -12.753 6.068 2.200
38 2HB LEU 6 HB1 LEU 6 -12.456 4.957 3.537
39 HG LEU 6 HG LEU 6 -10.234 6.616 2.338
40 1HD1 LEU 6 1HD1 LEU 6 -10.618 8.302 4.028
41 2HD1 LEU 6 2HD1 LEU 6 -11.930 7.361 4.738
42 3HD1 LEU 6 3HD1 LEU 6 -12.125 8.079 3.139
43 1HD2 LEU 6 1HD2 LEU 6 -10.637 4.835 4.691
44 2HD2 LEU 6 2HD2 LEU 6 -9.653 6.275 4.955
45 3HD2 LEU 6 3HD2 LEU 6 -9.190 5.105 3.720
46 H ASP 7 HN ASP 7 -13.036 2.643 2.671
47 HA ASP 7 HA ASP 7 -11.227 1.209 4.394
48 1HB ASP 7 HB2 ASP 7 -13.988 1.147 3.502
49 2HB ASP 7 HB1 ASP 7 -13.331 -0.488 3.530
50 H LEU 8 HN LEU 8 -12.122 0.889 0.983
51 HA LEU 8 HA LEU 8 -10.807 -1.686 0.568
52 1HB LEU 8 HB2 LEU 8 -12.525 0.143 -0.805
53 2HB LEU 8 HB1 LEU 8 -11.127 -0.157 -1.836
54 HG LEU 8 HG LEU 8 -11.713 -2.673 -0.836
55 1HD1 LEU 8 1HD1 LEU 8 -14.295 -1.217 -1.495
56 2HD1 LEU 8 2HD1 LEU 8 -13.840 -1.849 0.088
57 3HD1 LEU 8 3HD1 LEU 8 -14.139 -2.957 -1.251
58 1HD2 LEU 8 1HD2 LEU 8 -11.082 -2.235 -3.136
59 2HD2 LEU 8 2HD2 LEU 8 -12.559 -1.311 -3.413
60 3HD2 LEU 8 3HD2 LEU 8 -12.644 -3.053 -3.154
61 H ILE 9 HN ILE 9 -9.860 1.723 0.292
62 HA ILE 9 HA ILE 9 -7.539 1.583 -1.291
63 HB ILE 9 HB ILE 9 -8.318 3.161 1.166
64 1HG1 ILE 9 2HG1 ILE 9 -9.434 3.460 -1.115
65 2HG1 ILE 9 1HG1 ILE 9 -8.756 4.916 -0.394
66 1HG2 ILE 9 1HG2 ILE 9 -6.376 4.705 0.422
67 2HG2 ILE 9 2HG2 ILE 9 -5.741 3.279 -0.398
68 3HG2 ILE 9 3HG2 ILE 9 -5.967 3.262 1.351
69 1HD1 ILE 9 1HD1 ILE 9 -6.896 4.913 -1.852
70 2HD1 ILE 9 2HD1 ILE 9 -8.242 4.454 -2.894
71 3HD1 ILE 9 3HD1 ILE 9 -7.134 3.222 -2.292
72 H TYR 10 HN TYR 10 -8.065 0.372 1.955
73 HA TYR 10 HA TYR 10 -5.397 0.053 2.879
74 1HB TYR 10 HB2 TYR 10 -6.533 -0.938 4.591
75 2HB TYR 10 HB1 TYR 10 -7.991 -0.552 3.692
76 HD1 TYR 10 HD1 TYR 10 -9.145 -2.283 2.349
77 HD2 TYR 10 HD2 TYR 10 -5.636 -3.203 4.648
78 HE1 TYR 10 HE1 TYR 10 -9.636 -4.699 2.127
79 HE2 TYR 10 HE2 TYR 10 -6.125 -5.622 4.422
80 HH TYR 10 HH TYR 10 -8.761 -6.921 3.862
81 H SER 11 HN SER 11 -7.367 -2.052 0.773
82 HA SER 11 HA SER 11 -5.308 -4.109 0.489
83 1HB SER 11 HB2 SER 11 -7.841 -4.348 0.285
84 2HB SER 11 HB1 SER 11 -7.717 -3.516 -1.261
85 HG SER 11 HG SER 11 -7.616 -5.752 -1.570
86 H LEU 12 HN LEU 12 -6.206 -1.142 -1.150
87 HA LEU 12 HA LEU 12 -4.641 -1.632 -3.565
88 1HB LEU 12 HB2 LEU 12 -6.571 -0.214 -3.680
89 2HB LEU 12 HB1 LEU 12 -6.048 0.722 -2.283
90 HG LEU 12 HG LEU 12 -4.126 1.578 -3.575
91 1HD1 LEU 12 1HD1 LEU 12 -4.323 1.165 -6.134
92 2HD1 LEU 12 2HD1 LEU 12 -5.298 -0.234 -5.684
93 3HD1 LEU 12 3HD1 LEU 12 -3.625 -0.115 -5.142
94 1HD2 LEU 12 1HD2 LEU 12 -5.725 2.626 -5.486
95 2HD2 LEU 12 2HD2 LEU 12 -5.789 3.142 -3.802
96 3HD2 LEU 12 3HD2 LEU 12 -6.955 1.966 -4.409
97 H HIS 13 HN HIS 13 -4.181 -0.015 -0.464
98 HA HIS 13 HA HIS 13 -1.682 1.290 -1.132
99 1HB HIS 13 HB2 HIS 13 -3.494 1.649 0.771
100 2HB HIS 13 HB1 HIS 13 -2.466 0.524 1.660
101 HD1 HIS 13 HD1 HIS 13 -2.566 3.999 0.308
102 HD2 HIS 13 HD2 HIS 13 0.206 1.492 2.154
103 HE1 HIS 13 HE1 HIS 13 -0.609 5.462 0.974
104 H LYS 14 HN LYS 14 -2.499 -1.840 0.407
105 HA LYS 14 HA LYS 14 0.114 -2.539 1.289
106 1HB LYS 14 HB2 LYS 14 -0.779 -4.790 1.390
107 2HB LYS 14 HB1 LYS 14 -2.076 -3.675 1.811
108 1HG LYS 14 HG2 LYS 14 -3.284 -4.766 0.236
109 2HG LYS 14 HG1 LYS 14 -2.326 -3.857 -0.931
110 1HD LYS 14 HD2 LYS 14 -0.956 -5.654 -1.422
111 2HD LYS 14 HD1 LYS 14 -1.163 -6.382 0.171
112 1HE LYS 14 HE2 LYS 14 -3.707 -6.240 -1.255
113 2HE LYS 14 HE1 LYS 14 -2.495 -7.160 -2.168
114 1HZ LYS 14 HZ1 LYS 14 -3.622 -8.568 -0.542
115 2HZ LYS 14 HZ2 LYS 14 -3.138 -7.532 0.714
116 3HZ LYS 14 HZ3 LYS 14 -1.976 -8.411 -0.164
117 H GLN 15 HN GLN 15 -1.245 -2.511 -1.937
118 HA GLN 15 HA GLN 15 0.697 -4.250 -3.204
119 1HB GLN 15 HB2 GLN 15 -1.187 -2.065 -4.125
120 2HB GLN 15 HB1 GLN 15 -0.153 -2.937 -5.256
121 1HG GLN 15 HG2 GLN 15 -1.169 -5.056 -4.633
122 2HG GLN 15 HG1 GLN 15 -2.112 -4.273 -3.365
123 1HE2 GLN 15 1HE2 GLN 15 -1.884 -4.776 -6.857
124 2HE2 GLN 15 2HE2 GLN 15 -3.371 -4.053 -7.237
125 H ILE 16 HN ILE 16 0.425 -0.739 -2.754
126 HA ILE 16 HA ILE 16 2.875 -0.034 -4.106
127 HB ILE 16 HB ILE 16 1.213 1.338 -1.963
128 1HG1 ILE 16 2HG1 ILE 16 1.187 2.341 -4.735
129 2HG1 ILE 16 1HG1 ILE 16 0.527 0.715 -4.562
130 1HG2 ILE 16 1HG2 ILE 16 3.198 2.552 -1.876
131 2HG2 ILE 16 2HG2 ILE 16 2.346 3.401 -3.164
132 3HG2 ILE 16 3HG2 ILE 16 3.595 2.222 -3.562
133 1HD1 ILE 16 1HD1 ILE 16 -0.890 1.588 -2.663
134 2HD1 ILE 16 2HD1 ILE 16 -1.291 2.265 -4.241
135 3HD1 ILE 16 3HD1 ILE 16 -0.349 3.211 -3.088
136 H ASN 17 HN ASN 17 2.063 -0.967 -0.804
137 HA ASN 17 HA ASN 17 4.526 -0.231 0.484
138 1HB ASN 17 HB2 ASN 17 2.117 -1.120 1.270
139 2HB ASN 17 HB1 ASN 17 2.982 -2.654 1.309
140 1HD2 ASN 17 1HD2 ASN 17 3.152 0.707 2.579
141 2HD2 ASN 17 2HD2 ASN 17 4.053 0.298 3.958
142 H ARG 18 HN ARG 18 3.464 -3.212 -1.164
143 HA ARG 18 HA ARG 18 5.599 -4.950 -0.566
144 1HB ARG 18 HB2 ARG 18 3.647 -4.540 -2.773
145 2HB ARG 18 HB1 ARG 18 5.024 -5.576 -3.144
146 1HG ARG 18 HG2 ARG 18 4.324 -7.228 -1.748
147 2HG ARG 18 HG1 ARG 18 3.773 -6.088 -0.518
148 1HD ARG 18 HD2 ARG 18 1.841 -5.544 -2.166
149 2HD ARG 18 HD1 ARG 18 2.297 -7.061 -2.967
150 HE ARG 18 HE ARG 18 1.216 -6.817 -0.221
151 1HH1 ARG 18 1HH1 ARG 18 0.249 -8.735 -2.378
152 2HH1 ARG 18 2HH1 ARG 18 0.893 -10.240 -1.812
153 1HH2 ARG 18 1HH2 ARG 18 3.125 -8.754 0.398
154 2HH2 ARG 18 2HH2 ARG 18 2.529 -10.252 -0.237
155 H GLY 19 HN GLY 19 5.404 -2.524 -3.195
156 1HA GLY 19 HA2 GLY 19 8.163 -3.037 -4.043
157 2HA GLY 19 HA1 GLY 19 7.106 -1.766 -4.664
158 H LEU 20 HN LEU 20 6.424 -0.624 -2.112
159 HA LEU 20 HA LEU 20 8.492 1.290 -1.743
160 1HB LEU 20 HB2 LEU 20 6.146 1.628 -1.143
161 2HB LEU 20 HB1 LEU 20 6.239 0.336 0.050
162 HG LEU 20 HG LEU 20 8.069 1.697 1.192
163 1HD1 LEU 20 1HD1 LEU 20 7.701 4.236 0.625
164 2HD1 LEU 20 2HD1 LEU 20 7.140 3.617 -0.929
165 3HD1 LEU 20 3HD1 LEU 20 8.782 3.274 -0.384
166 1HD2 LEU 20 1HD2 LEU 20 5.718 1.571 2.000
167 2HD2 LEU 20 2HD2 LEU 20 5.316 2.959 0.988
168 3HD2 LEU 20 3HD2 LEU 20 6.447 3.142 2.329
169 H LYS 21 HN LYS 21 7.753 -1.672 0.101
170 HA LYS 21 HA LYS 21 9.870 -1.269 2.048
171 1HB LYS 21 HB2 LYS 21 9.112 -3.325 2.920
172 2HB LYS 21 HB1 LYS 21 7.673 -2.668 2.145
173 1HG LYS 21 HG2 LYS 21 8.566 -3.994 0.044
174 2HG LYS 21 HG1 LYS 21 9.440 -4.927 1.256
175 1HD LYS 21 HD2 LYS 21 6.538 -4.393 1.730
176 2HD LYS 21 HD1 LYS 21 6.967 -5.592 0.511
177 1HE LYS 21 HE2 LYS 21 7.393 -7.105 2.138
178 2HE LYS 21 HE1 LYS 21 8.610 -6.021 2.840
179 1HZ LYS 21 HZ1 LYS 21 6.938 -4.854 4.035
180 2HZ LYS 21 HZ2 LYS 21 6.684 -6.507 4.331
181 3HZ LYS 21 HZ3 LYS 21 5.685 -5.675 3.237
182 H LYS 22 HN LYS 22 9.694 -2.823 -1.104
183 HA LYS 22 HA LYS 22 12.156 -4.340 -0.897
184 1HB LYS 22 HB2 LYS 22 10.280 -4.770 -2.487
185 2HB LYS 22 HB1 LYS 22 10.658 -3.255 -3.307
186 1HG LYS 22 HG2 LYS 22 12.978 -5.042 -2.954
187 2HG LYS 22 HG1 LYS 22 11.712 -5.698 -3.993
188 1HD LYS 22 HD2 LYS 22 12.512 -2.846 -4.406
189 2HD LYS 22 HD1 LYS 22 13.615 -4.101 -4.970
190 1HE LYS 22 HE2 LYS 22 10.776 -4.583 -5.663
191 2HE LYS 22 HE1 LYS 22 11.505 -3.168 -6.449
192 1HZ LYS 22 HZ1 LYS 22 12.791 -5.846 -6.317
193 2HZ LYS 22 HZ2 LYS 22 13.338 -4.491 -7.185
194 3HZ LYS 22 HZ3 LYS 22 11.913 -5.285 -7.655
195 H ILE 23 HN ILE 23 11.341 -1.102 -2.117
196 HA ILE 23 HA ILE 23 13.905 -0.436 -3.213
197 HB ILE 23 HB ILE 23 11.679 1.232 -1.988
198 1HG1 ILE 23 2HG1 ILE 23 12.316 0.980 -4.920
199 2HG1 ILE 23 1HG1 ILE 23 11.382 -0.284 -4.120
200 1HG2 ILE 23 1HG2 ILE 23 13.932 2.144 -3.806
201 2HG2 ILE 23 2HG2 ILE 23 13.884 2.432 -2.067
202 3HG2 ILE 23 3HG2 ILE 23 12.661 3.151 -3.115
203 1HD1 ILE 23 1HD1 ILE 23 9.826 1.331 -5.032
204 2HD1 ILE 23 2HD1 ILE 23 10.695 2.663 -4.268
205 3HD1 ILE 23 3HD1 ILE 23 9.821 1.495 -3.276
206 H VAL 24 HN VAL 24 12.491 0.161 0.001
207 HA VAL 24 HA VAL 24 14.855 1.383 1.143
208 HB VAL 24 HB VAL 24 12.324 0.109 2.211
209 1HG1 VAL 24 1HG1 VAL 24 13.538 -0.203 4.131
210 2HG1 VAL 24 2HG1 VAL 24 13.220 1.519 4.336
211 3HG1 VAL 24 3HG1 VAL 24 14.763 0.981 3.674
212 1HG2 VAL 24 1HG2 VAL 24 12.037 2.255 1.096
213 2HG2 VAL 24 2HG2 VAL 24 13.358 2.958 2.031
214 3HG2 VAL 24 3HG2 VAL 24 11.857 2.495 2.834
215 H LEU 25 HN LEU 25 13.585 -1.912 1.011
216 HA LEU 25 HA LEU 25 15.459 -3.154 2.802
217 1HB LEU 25 HB2 LEU 25 13.375 -4.205 2.162
218 2HB LEU 25 HB1 LEU 25 13.794 -4.116 0.453
219 HG LEU 25 HG LEU 25 15.649 -5.685 0.807
220 1HD1 LEU 25 1HD1 LEU 25 15.622 -6.870 3.118
221 2HD1 LEU 25 2HD1 LEU 25 14.760 -5.439 3.681
222 3HD1 LEU 25 3HD1 LEU 25 16.386 -5.284 3.015
223 1HD2 LEU 25 1HD2 LEU 25 12.999 -6.611 1.961
224 2HD2 LEU 25 2HD2 LEU 25 14.282 -7.688 1.408
225 3HD2 LEU 25 3HD2 LEU 25 13.463 -6.630 0.260
226 H GLY 26 HN GLY 26 15.575 -2.361 -0.652
227 1HA GLY 26 HA2 GLY 26 18.079 -3.838 -1.069
228 2HA GLY 26 HA1 GLY 26 17.241 -2.857 -2.270
229 H TRP 27 HN TRP 27 17.089 -0.387 -0.974
230 HA TRP 27 HA TRP 27 19.962 0.294 -0.418
231 1HB TRP 27 HB2 TRP 27 17.957 1.484 -2.340
232 2HB TRP 27 HB1 TRP 27 19.346 2.415 -1.782
233 HD1 TRP 27 HD1 TRP 27 21.759 1.630 -2.546
234 HE1 TRP 27 HE1 TRP 27 22.552 0.079 -4.449
235 HE3 TRP 27 HE3 TRP 27 17.346 -0.652 -3.721
236 HZ2 TRP 27 HZ2 TRP 27 21.457 -1.874 -6.230
237 HZ3 TRP 27 HZ3 TRP 27 17.248 -2.352 -5.521
238 HH2 TRP 27 HH2 TRP 27 19.297 -2.966 -6.776
239 H ALA 28 HN ALA 28 20.247 1.680 1.297
240 HA ALA 28 HA ALA 28 19.759 3.064 3.132
241 1HB ALA 28 HB1 ALA 28 17.313 3.845 1.521
242 2HB ALA 28 HB2 ALA 28 18.934 4.411 1.121
243 3HB ALA 28 HB3 ALA 28 18.210 4.837 2.672
Start of MODEL 28
1 1H SER 1 HT1 SER 1 -22.573 8.795 -1.318
2 2H SER 1 HT2 SER 1 -22.518 10.416 -0.815
3 3H SER 1 HT3 SER 1 -21.933 9.187 0.203
4 HA SER 1 HA SER 1 -20.736 10.181 -2.330
5 1HB SER 1 HB2 SER 1 -20.446 11.276 -0.019
6 2HB SER 1 HB1 SER 1 -19.568 9.820 0.441
7 HG SER 1 HG SER 1 -18.018 11.108 -0.357
8 H GLY 2 HN GLY 2 -20.075 7.824 0.319
9 1HA GLY 2 HA2 GLY 2 -19.856 5.410 -0.265
10 2HA GLY 2 HA1 GLY 2 -19.106 5.920 -1.778
11 H ASN 3 HN ASN 3 -18.643 6.075 1.760
12 HA ASN 3 HA ASN 3 -15.814 6.782 1.529
13 1HB ASN 3 HB2 ASN 3 -17.859 6.311 3.613
14 2HB ASN 3 HB1 ASN 3 -16.211 5.916 4.097
15 1HD2 ASN 3 1HD2 ASN 3 -14.974 7.670 4.813
16 2HD2 ASN 3 2HD2 ASN 3 -15.315 9.297 4.474
17 H TYR 4 HN TYR 4 -17.491 3.838 1.140
18 HA TYR 4 HA TYR 4 -15.855 1.918 2.426
19 1HB TYR 4 HB2 TYR 4 -16.889 0.378 0.906
20 2HB TYR 4 HB1 TYR 4 -18.072 1.653 1.185
21 HD1 TYR 4 HD1 TYR 4 -15.730 0.169 -1.238
22 HD2 TYR 4 HD2 TYR 4 -18.607 3.289 -0.565
23 HE1 TYR 4 HE1 TYR 4 -15.818 0.614 -3.674
24 HE2 TYR 4 HE2 TYR 4 -18.692 3.734 -3.003
25 HH TYR 4 HH TYR 4 -16.799 3.240 -5.031
26 H VAL 5 HN VAL 5 -15.197 3.849 -0.451
27 HA VAL 5 HA VAL 5 -13.116 2.235 -1.600
28 HB VAL 5 HB VAL 5 -12.471 4.371 -2.703
29 1HG1 VAL 5 1HG1 VAL 5 -15.468 3.975 -2.455
30 2HG1 VAL 5 2HG1 VAL 5 -14.401 3.114 -3.564
31 3HG1 VAL 5 3HG1 VAL 5 -14.655 4.849 -3.752
32 1HG2 VAL 5 1HG2 VAL 5 -13.925 6.398 -2.110
33 2HG2 VAL 5 2HG2 VAL 5 -12.661 5.984 -0.953
34 3HG2 VAL 5 3HG2 VAL 5 -14.337 5.544 -0.624
35 H LEU 6 HN LEU 6 -13.025 4.807 0.899
36 HA LEU 6 HA LEU 6 -10.184 4.925 1.236
37 1HB LEU 6 HB2 LEU 6 -12.577 5.398 3.035
38 2HB LEU 6 HB1 LEU 6 -10.930 5.678 3.597
39 HG LEU 6 HG LEU 6 -11.218 6.895 1.017
40 1HD1 LEU 6 1HD1 LEU 6 -13.259 7.865 3.035
41 2HD1 LEU 6 2HD1 LEU 6 -13.669 6.853 1.650
42 3HD1 LEU 6 3HD1 LEU 6 -13.005 8.466 1.397
43 1HD2 LEU 6 1HD2 LEU 6 -9.687 7.465 2.978
44 2HD2 LEU 6 2HD2 LEU 6 -11.081 8.241 3.728
45 3HD2 LEU 6 3HD2 LEU 6 -10.457 8.844 2.194
46 H ASP 7 HN ASP 7 -12.680 2.830 2.658
47 HA ASP 7 HA ASP 7 -10.969 1.367 4.460
48 1HB ASP 7 HB2 ASP 7 -13.659 1.093 3.170
49 2HB ASP 7 HB1 ASP 7 -12.956 -0.360 3.876
50 H LEU 8 HN LEU 8 -11.931 0.930 1.066
51 HA LEU 8 HA LEU 8 -10.587 -1.608 0.665
52 1HB LEU 8 HB2 LEU 8 -12.264 0.259 -0.737
53 2HB LEU 8 HB1 LEU 8 -10.894 -0.158 -1.767
54 HG LEU 8 HG LEU 8 -11.575 -2.599 -0.675
55 1HD1 LEU 8 1HD1 LEU 8 -13.630 -1.548 0.284
56 2HD1 LEU 8 2HD1 LEU 8 -13.998 -2.814 -0.887
57 3HD1 LEU 8 3HD1 LEU 8 -14.138 -1.118 -1.349
58 1HD2 LEU 8 1HD2 LEU 8 -12.378 -3.126 -2.906
59 2HD2 LEU 8 2HD2 LEU 8 -11.034 -1.996 -3.060
60 3HD2 LEU 8 3HD2 LEU 8 -12.693 -1.424 -3.242
61 H ILE 9 HN ILE 9 -9.597 1.788 0.352
62 HA ILE 9 HA ILE 9 -7.289 1.596 -1.245
63 HB ILE 9 HB ILE 9 -8.017 3.205 1.208
64 1HG1 ILE 9 2HG1 ILE 9 -9.148 3.521 -1.060
65 2HG1 ILE 9 1HG1 ILE 9 -8.424 4.964 -0.358
66 1HG2 ILE 9 1HG2 ILE 9 -5.461 3.305 -0.402
67 2HG2 ILE 9 2HG2 ILE 9 -5.644 3.218 1.349
68 3HG2 ILE 9 3HG2 ILE 9 -6.055 4.704 0.494
69 1HD1 ILE 9 1HD1 ILE 9 -7.937 4.541 -2.840
70 2HD1 ILE 9 2HD1 ILE 9 -6.925 3.201 -2.304
71 3HD1 ILE 9 3HD1 ILE 9 -6.538 4.849 -1.812
72 H TYR 10 HN TYR 10 -7.817 0.450 2.029
73 HA TYR 10 HA TYR 10 -5.161 0.065 2.942
74 1HB TYR 10 HB2 TYR 10 -6.319 -0.880 4.663
75 2HB TYR 10 HB1 TYR 10 -7.771 -0.494 3.755
76 HD1 TYR 10 HD1 TYR 10 -9.008 -2.228 2.550
77 HD2 TYR 10 HD2 TYR 10 -5.366 -3.157 4.630
78 HE1 TYR 10 HE1 TYR 10 -9.514 -4.643 2.353
79 HE2 TYR 10 HE2 TYR 10 -5.873 -5.575 4.429
80 HH TYR 10 HH TYR 10 -8.514 -6.875 4.041
81 H SER 11 HN SER 11 -7.191 -2.049 0.891
82 HA SER 11 HA SER 11 -5.183 -4.140 0.608
83 1HB SER 11 HB2 SER 11 -7.730 -4.274 0.345
84 2HB SER 11 HB1 SER 11 -7.524 -3.468 -1.207
85 HG SER 11 HG SER 11 -7.522 -5.898 -1.092
86 H LEU 12 HN LEU 12 -6.274 -1.380 -1.361
87 HA LEU 12 HA LEU 12 -4.607 -1.761 -3.640
88 1HB LEU 12 HB2 LEU 12 -6.429 -0.216 -3.703
89 2HB LEU 12 HB1 LEU 12 -5.874 0.610 -2.252
90 HG LEU 12 HG LEU 12 -3.882 1.416 -3.487
91 1HD1 LEU 12 1HD1 LEU 12 -3.486 -0.178 -5.174
92 2HD1 LEU 12 2HD1 LEU 12 -4.137 1.192 -6.073
93 3HD1 LEU 12 3HD1 LEU 12 -5.172 -0.184 -5.693
94 1HD2 LEU 12 1HD2 LEU 12 -5.485 2.633 -5.346
95 2HD2 LEU 12 2HD2 LEU 12 -5.365 3.133 -3.659
96 3HD2 LEU 12 3HD2 LEU 12 -6.678 2.073 -4.173
97 H HIS 13 HN HIS 13 -4.048 -0.055 -0.576
98 HA HIS 13 HA HIS 13 -1.456 1.017 -1.198
99 1HB HIS 13 HB2 HIS 13 -3.220 1.435 0.735
100 2HB HIS 13 HB1 HIS 13 -2.280 0.201 1.573
101 HD1 HIS 13 HD1 HIS 13 0.226 0.757 2.110
102 HD2 HIS 13 HD2 HIS 13 -1.877 3.907 0.368
103 HE1 HIS 13 HE1 HIS 13 1.654 2.825 2.410
104 H LYS 14 HN LYS 14 -2.501 -2.110 0.151
105 HA LYS 14 HA LYS 14 0.014 -3.090 1.044
106 1HB LYS 14 HB2 LYS 14 -2.648 -4.093 0.349
107 2HB LYS 14 HB1 LYS 14 -1.380 -5.274 0.016
108 1HG LYS 14 HG2 LYS 14 -2.138 -5.571 2.309
109 2HG LYS 14 HG1 LYS 14 -0.503 -4.912 2.332
110 1HD LYS 14 HD2 LYS 14 -1.899 -2.603 2.314
111 2HD LYS 14 HD1 LYS 14 -3.072 -3.638 3.128
112 1HE LYS 14 HE2 LYS 14 -1.777 -3.837 5.013
113 2HE LYS 14 HE1 LYS 14 -0.264 -3.877 4.086
114 1HZ LYS 14 HZ1 LYS 14 -0.352 -1.782 5.185
115 2HZ LYS 14 HZ2 LYS 14 -1.951 -1.504 4.682
116 3HZ LYS 14 HZ3 LYS 14 -0.686 -1.486 3.547
117 H GLN 15 HN GLN 15 -1.339 -2.829 -2.182
118 HA GLN 15 HA GLN 15 0.592 -4.529 -3.528
119 1HB GLN 15 HB2 GLN 15 -1.014 -2.187 -4.611
120 2HB GLN 15 HB1 GLN 15 -0.393 -3.558 -5.531
121 1HG GLN 15 HG2 GLN 15 -1.836 -4.907 -3.700
122 2HG GLN 15 HG1 GLN 15 -2.756 -3.403 -3.721
123 1HE2 GLN 15 1HE2 GLN 15 -2.168 -6.346 -5.437
124 2HE2 GLN 15 2HE2 GLN 15 -3.076 -5.970 -6.821
125 H ILE 16 HN ILE 16 0.311 -1.049 -2.917
126 HA ILE 16 HA ILE 16 2.809 -0.327 -4.220
127 HB ILE 16 HB ILE 16 0.992 1.044 -2.208
128 1HG1 ILE 16 2HG1 ILE 16 1.155 2.122 -4.923
129 2HG1 ILE 16 1HG1 ILE 16 0.609 0.444 -4.907
130 1HG2 ILE 16 1HG2 ILE 16 3.544 1.891 -3.499
131 2HG2 ILE 16 2HG2 ILE 16 2.871 2.344 -1.932
132 3HG2 ILE 16 3HG2 ILE 16 2.255 3.090 -3.406
133 1HD1 ILE 16 1HD1 ILE 16 -1.027 1.130 -3.075
134 2HD1 ILE 16 2HD1 ILE 16 -1.362 1.777 -4.682
135 3HD1 ILE 16 3HD1 ILE 16 -0.612 2.800 -3.457
136 H ASN 17 HN ASN 17 1.812 -1.200 -0.947
137 HA ASN 17 HA ASN 17 4.144 -0.432 0.510
138 1HB ASN 17 HB2 ASN 17 1.725 -1.959 0.854
139 2HB ASN 17 HB1 ASN 17 3.068 -2.866 1.546
140 1HD2 ASN 17 1HD2 ASN 17 4.682 -1.171 2.803
141 2HD2 ASN 17 2HD2 ASN 17 3.866 -0.142 3.878
142 H ARG 18 HN ARG 18 3.414 -3.378 -1.372
143 HA ARG 18 HA ARG 18 5.651 -4.969 -0.606
144 1HB ARG 18 HB2 ARG 18 4.009 -4.697 -3.140
145 2HB ARG 18 HB1 ARG 18 5.240 -5.945 -2.951
146 1HG ARG 18 HG2 ARG 18 3.266 -5.655 -0.736
147 2HG ARG 18 HG1 ARG 18 2.675 -6.345 -2.247
148 1HD ARG 18 HD2 ARG 18 5.274 -7.451 -1.401
149 2HD ARG 18 HD1 ARG 18 3.947 -7.793 -0.275
150 HE ARG 18 HE ARG 18 3.813 -8.405 -3.209
151 1HH1 ARG 18 1HH1 ARG 18 4.425 -10.704 -1.483
152 2HH1 ARG 18 2HH1 ARG 18 2.862 -11.349 -1.109
153 1HH2 ARG 18 1HH2 ARG 18 1.161 -8.469 -2.055
154 2HH2 ARG 18 2HH2 ARG 18 1.006 -10.079 -1.433
155 H GLY 19 HN GLY 19 5.314 -2.796 -3.449
156 1HA GLY 19 HA2 GLY 19 8.105 -2.970 -4.185
157 2HA GLY 19 HA1 GLY 19 6.958 -1.771 -4.785
158 H LEU 20 HN LEU 20 6.187 -0.687 -2.248
159 HA LEU 20 HA LEU 20 8.136 1.338 -1.830
160 1HB LEU 20 HB2 LEU 20 5.764 1.514 -1.232
161 2HB LEU 20 HB1 LEU 20 5.947 0.226 -0.043
162 HG LEU 20 HG LEU 20 7.563 1.633 1.208
163 1HD1 LEU 20 1HD1 LEU 20 7.577 4.106 0.548
164 2HD1 LEU 20 2HD1 LEU 20 6.899 3.597 -0.997
165 3HD1 LEU 20 3HD1 LEU 20 8.491 3.024 -0.501
166 1HD2 LEU 20 1HD2 LEU 20 5.902 3.306 2.012
167 2HD2 LEU 20 2HD2 LEU 20 5.191 1.701 1.828
168 3HD2 LEU 20 3HD2 LEU 20 4.890 2.944 0.612
169 H LYS 21 HN LYS 21 7.544 -1.690 -0.062
170 HA LYS 21 HA LYS 21 9.532 -1.304 1.978
171 1HB LYS 21 HB2 LYS 21 7.597 -2.919 1.968
172 2HB LYS 21 HB1 LYS 21 8.478 -3.884 0.785
173 1HG LYS 21 HG2 LYS 21 10.419 -3.662 2.616
174 2HG LYS 21 HG1 LYS 21 9.034 -3.474 3.691
175 1HD LYS 21 HD2 LYS 21 8.416 -5.614 1.929
176 2HD LYS 21 HD1 LYS 21 10.063 -5.882 2.500
177 1HE LYS 21 HE2 LYS 21 9.352 -5.749 4.821
178 2HE LYS 21 HE1 LYS 21 7.713 -5.276 4.330
179 1HZ LYS 21 HZ1 LYS 21 7.871 -7.672 4.756
180 2HZ LYS 21 HZ2 LYS 21 9.068 -7.811 3.558
181 3HZ LYS 21 HZ3 LYS 21 7.486 -7.353 3.135
182 H LYS 22 HN LYS 22 9.647 -2.831 -1.232
183 HA LYS 22 HA LYS 22 12.281 -3.931 -1.068
184 1HB LYS 22 HB2 LYS 22 10.361 -4.205 -2.801
185 2HB LYS 22 HB1 LYS 22 11.040 -2.766 -3.562
186 1HG LYS 22 HG2 LYS 22 12.864 -5.047 -2.856
187 2HG LYS 22 HG1 LYS 22 11.863 -5.161 -4.302
188 1HD LYS 22 HD2 LYS 22 12.785 -2.752 -4.801
189 2HD LYS 22 HD1 LYS 22 14.064 -3.213 -3.678
190 1HE LYS 22 HE2 LYS 22 15.079 -4.262 -5.415
191 2HE LYS 22 HE1 LYS 22 13.749 -5.436 -5.392
192 1HZ LYS 22 HZ1 LYS 22 13.733 -2.823 -6.819
193 2HZ LYS 22 HZ2 LYS 22 12.444 -3.931 -6.772
194 3HZ LYS 22 HZ3 LYS 22 13.896 -4.344 -7.552
195 H ILE 23 HN ILE 23 11.139 -0.697 -1.976
196 HA ILE 23 HA ILE 23 13.638 0.349 -2.916
197 HB ILE 23 HB ILE 23 11.181 1.620 -1.668
198 1HG1 ILE 23 2HG1 ILE 23 12.015 1.708 -4.564
199 2HG1 ILE 23 1HG1 ILE 23 11.152 0.307 -3.930
200 1HG2 ILE 23 1HG2 ILE 23 13.108 3.141 -1.447
201 2HG2 ILE 23 2HG2 ILE 23 11.989 3.738 -2.672
202 3HG2 ILE 23 3HG2 ILE 23 13.480 2.931 -3.158
203 1HD1 ILE 23 1HD1 ILE 23 9.509 1.841 -4.815
204 2HD1 ILE 23 2HD1 ILE 23 10.212 3.188 -3.920
205 3HD1 ILE 23 3HD1 ILE 23 9.392 1.887 -3.056
206 H VAL 24 HN VAL 24 12.392 -0.174 0.310
207 HA VAL 24 HA VAL 24 14.660 1.368 1.497
208 HB VAL 24 HB VAL 24 12.167 0.143 2.733
209 1HG1 VAL 24 1HG1 VAL 24 12.740 1.637 4.649
210 2HG1 VAL 24 2HG1 VAL 24 14.244 2.064 3.832
211 3HG1 VAL 24 3HG1 VAL 24 13.969 0.405 4.364
212 1HG2 VAL 24 1HG2 VAL 24 11.394 1.898 1.347
213 2HG2 VAL 24 2HG2 VAL 24 12.810 2.897 1.671
214 3HG2 VAL 24 3HG2 VAL 24 11.586 2.669 2.921
215 H LEU 25 HN LEU 25 13.347 -1.841 1.082
216 HA LEU 25 HA LEU 25 15.081 -3.132 3.061
217 1HB LEU 25 HB2 LEU 25 12.859 -3.981 2.575
218 2HB LEU 25 HB1 LEU 25 13.226 -4.090 0.856
219 HG LEU 25 HG LEU 25 14.988 -5.775 1.375
220 1HD1 LEU 25 1HD1 LEU 25 14.809 -6.819 3.702
221 2HD1 LEU 25 2HD1 LEU 25 13.910 -5.378 4.176
222 3HD1 LEU 25 3HD1 LEU 25 15.581 -5.236 3.631
223 1HD2 LEU 25 1HD2 LEU 25 12.592 -6.909 2.704
224 2HD2 LEU 25 2HD2 LEU 25 13.459 -7.470 1.273
225 3HD2 LEU 25 3HD2 LEU 25 12.301 -6.145 1.140
226 H GLY 26 HN GLY 26 15.064 -2.702 -0.495
227 1HA GLY 26 HA2 GLY 26 17.938 -3.291 -0.567
228 2HA GLY 26 HA1 GLY 26 16.942 -4.500 -1.376
229 H TRP 27 HN TRP 27 17.995 -1.141 -1.455
230 HA TRP 27 HA TRP 27 16.816 -0.878 -4.198
231 1HB TRP 27 HB2 TRP 27 16.677 1.458 -3.759
232 2HB TRP 27 HB1 TRP 27 16.176 0.683 -2.261
233 HD1 TRP 27 HD1 TRP 27 17.884 0.748 -0.199
234 HE1 TRP 27 HE1 TRP 27 19.856 2.324 0.332
235 HE3 TRP 27 HE3 TRP 27 18.588 2.864 -4.794
236 HZ2 TRP 27 HZ2 TRP 27 21.509 4.231 -1.013
237 HZ3 TRP 27 HZ3 TRP 27 20.365 4.557 -5.140
238 HH2 TRP 27 HH2 TRP 27 21.825 5.242 -3.257
239 H ALA 28 HN ALA 28 19.825 -0.839 -2.370
240 HA ALA 28 HA ALA 28 21.319 -0.543 -4.943
241 1HB ALA 28 HB1 ALA 28 21.614 0.996 -2.357
242 2HB ALA 28 HB2 ALA 28 21.407 1.635 -3.987
243 3HB ALA 28 HB3 ALA 28 22.934 0.889 -3.520
Start of MODEL 29
1 1H SER 1 HT1 SER 1 -9.398 3.294 9.067
2 2H SER 1 HT2 SER 1 -9.792 4.946 9.142
3 3H SER 1 HT3 SER 1 -9.610 4.180 7.637
4 HA SER 1 HA SER 1 -11.555 2.783 8.093
5 1HB SER 1 HB2 SER 1 -11.026 2.952 10.591
6 2HB SER 1 HB1 SER 1 -11.813 4.527 10.557
7 HG SER 1 HG SER 1 -13.530 3.330 10.890
8 H GLY 2 HN GLY 2 -13.548 3.549 7.258
9 1HA GLY 2 HA2 GLY 2 -14.212 6.401 7.307
10 2HA GLY 2 HA1 GLY 2 -13.710 5.816 5.720
11 H ASN 3 HN ASN 3 -15.021 4.204 4.667
12 HA ASN 3 HA ASN 3 -17.557 3.381 5.929
13 1HB ASN 3 HB2 ASN 3 -18.910 4.487 4.135
14 2HB ASN 3 HB1 ASN 3 -18.068 5.639 5.166
15 1HD2 ASN 3 1HD2 ASN 3 -16.329 6.897 4.214
16 2HD2 ASN 3 2HD2 ASN 3 -16.029 6.894 2.543
17 H TYR 4 HN TYR 4 -15.682 3.520 2.866
18 HA TYR 4 HA TYR 4 -16.022 0.624 2.504
19 1HB TYR 4 HB2 TYR 4 -18.162 1.498 1.690
20 2HB TYR 4 HB1 TYR 4 -17.325 2.661 0.663
21 HD1 TYR 4 HD1 TYR 4 -17.577 -1.023 1.310
22 HD2 TYR 4 HD2 TYR 4 -16.780 2.087 -1.545
23 HE1 TYR 4 HE1 TYR 4 -17.429 -2.716 -0.494
24 HE2 TYR 4 HE2 TYR 4 -16.633 0.393 -3.349
25 HH TYR 4 HH TYR 4 -16.053 -2.579 -3.038
26 H VAL 5 HN VAL 5 -15.446 3.419 0.315
27 HA VAL 5 HA VAL 5 -13.300 2.183 -1.116
28 HB VAL 5 HB VAL 5 -14.255 5.020 -0.680
29 1HG1 VAL 5 1HG1 VAL 5 -12.719 5.447 -2.755
30 2HG1 VAL 5 2HG1 VAL 5 -11.831 4.039 -2.172
31 3HG1 VAL 5 3HG1 VAL 5 -11.999 5.464 -1.146
32 1HG2 VAL 5 1HG2 VAL 5 -14.703 4.659 -3.199
33 2HG2 VAL 5 2HG2 VAL 5 -15.721 3.774 -2.063
34 3HG2 VAL 5 3HG2 VAL 5 -14.389 2.954 -2.876
35 H LEU 6 HN LEU 6 -13.156 4.666 1.506
36 HA LEU 6 HA LEU 6 -10.334 4.818 1.733
37 1HB LEU 6 HB2 LEU 6 -12.361 6.052 2.916
38 2HB LEU 6 HB1 LEU 6 -12.122 4.820 4.157
39 HG LEU 6 HG LEU 6 -9.690 6.231 3.158
40 1HD1 LEU 6 1HD1 LEU 6 -11.394 8.038 3.461
41 2HD1 LEU 6 2HD1 LEU 6 -10.061 8.151 4.608
42 3HD1 LEU 6 3HD1 LEU 6 -11.617 7.501 5.126
43 1HD2 LEU 6 1HD2 LEU 6 -10.505 5.687 6.008
44 2HD2 LEU 6 2HD2 LEU 6 -8.884 5.763 5.318
45 3HD2 LEU 6 3HD2 LEU 6 -9.920 4.376 4.984
46 H ASP 7 HN ASP 7 -12.637 2.520 3.172
47 HA ASP 7 HA ASP 7 -10.721 1.015 4.725
48 1HB ASP 7 HB2 ASP 7 -13.528 0.772 3.726
49 2HB ASP 7 HB1 ASP 7 -12.736 -0.720 4.226
50 H LEU 8 HN LEU 8 -12.014 0.733 1.420
51 HA LEU 8 HA LEU 8 -10.637 -1.739 0.759
52 1HB LEU 8 HB2 LEU 8 -12.518 0.118 -0.382
53 2HB LEU 8 HB1 LEU 8 -11.246 -0.201 -1.560
54 HG LEU 8 HG LEU 8 -11.718 -2.710 -0.532
55 1HD1 LEU 8 1HD1 LEU 8 -14.160 -3.008 -0.531
56 2HD1 LEU 8 2HD1 LEU 8 -14.383 -1.280 -0.808
57 3HD1 LEU 8 3HD1 LEU 8 -13.686 -1.848 0.710
58 1HD2 LEU 8 1HD2 LEU 8 -12.909 -3.101 -2.686
59 2HD2 LEU 8 2HD2 LEU 8 -11.444 -2.143 -2.906
60 3HD2 LEU 8 3HD2 LEU 8 -13.023 -1.356 -2.918
61 H ILE 9 HN ILE 9 -9.855 1.720 0.435
62 HA ILE 9 HA ILE 9 -7.696 1.685 -1.360
63 HB ILE 9 HB ILE 9 -8.245 3.199 1.204
64 1HG1 ILE 9 2HG1 ILE 9 -8.188 4.117 -1.685
65 2HG1 ILE 9 1HG1 ILE 9 -9.645 3.543 -0.881
66 1HG2 ILE 9 1HG2 ILE 9 -5.887 3.364 1.108
67 2HG2 ILE 9 2HG2 ILE 9 -6.444 4.809 0.265
68 3HG2 ILE 9 3HG2 ILE 9 -5.875 3.417 -0.655
69 1HD1 ILE 9 1HD1 ILE 9 -9.947 5.669 -0.182
70 2HD1 ILE 9 2HD1 ILE 9 -8.320 6.134 -0.676
71 3HD1 ILE 9 3HD1 ILE 9 -8.585 5.403 0.906
72 H TYR 10 HN TYR 10 -7.836 0.395 1.905
73 HA TYR 10 HA TYR 10 -5.084 0.144 2.543
74 1HB TYR 10 HB2 TYR 10 -6.005 -0.959 4.314
75 2HB TYR 10 HB1 TYR 10 -7.560 -0.614 3.578
76 HD1 TYR 10 HD1 TYR 10 -8.765 -2.350 2.289
77 HD2 TYR 10 HD2 TYR 10 -4.991 -3.170 4.173
78 HE1 TYR 10 HE1 TYR 10 -9.151 -4.780 2.003
79 HE2 TYR 10 HE2 TYR 10 -5.377 -5.602 3.883
80 HH TYR 10 HH TYR 10 -7.956 -7.026 3.546
81 H SER 11 HN SER 11 -7.176 -1.911 0.522
82 HA SER 11 HA SER 11 -5.147 -3.923 -0.045
83 1HB SER 11 HB2 SER 11 -7.661 -4.185 -0.147
84 2HB SER 11 HB1 SER 11 -7.662 -3.155 -1.574
85 HG SER 11 HG SER 11 -7.485 -5.142 -2.413
86 H LEU 12 HN LEU 12 -6.253 -0.914 -1.550
87 HA LEU 12 HA LEU 12 -4.730 -1.182 -4.001
88 1HB LEU 12 HB2 LEU 12 -6.489 0.713 -2.632
89 2HB LEU 12 HB1 LEU 12 -5.182 1.532 -3.480
90 HG LEU 12 HG LEU 12 -7.067 -0.508 -4.699
91 1HD1 LEU 12 1HD1 LEU 12 -8.111 1.693 -4.209
92 2HD1 LEU 12 2HD1 LEU 12 -7.970 1.402 -5.941
93 3HD1 LEU 12 3HD1 LEU 12 -6.837 2.486 -5.135
94 1HD2 LEU 12 1HD2 LEU 12 -4.998 -0.685 -5.862
95 2HD2 LEU 12 2HD2 LEU 12 -4.707 1.053 -5.771
96 3HD2 LEU 12 3HD2 LEU 12 -5.961 0.423 -6.840
97 H HIS 13 HN HIS 13 -4.006 -0.077 -0.762
98 HA HIS 13 HA HIS 13 -1.520 1.295 -1.556
99 1HB HIS 13 HB2 HIS 13 -3.283 1.749 0.386
100 2HB HIS 13 HB1 HIS 13 -2.263 0.610 1.265
101 HD1 HIS 13 HD1 HIS 13 0.113 1.361 1.890
102 HD2 HIS 13 HD2 HIS 13 -1.955 4.197 -0.356
103 HE1 HIS 13 HE1 HIS 13 1.479 3.491 1.992
104 H LYS 14 HN LYS 14 -2.491 -1.813 -0.119
105 HA LYS 14 HA LYS 14 0.114 -2.626 0.772
106 1HB LYS 14 HB2 LYS 14 -0.929 -4.721 1.122
107 2HB LYS 14 HB1 LYS 14 -2.255 -3.571 1.257
108 1HG LYS 14 HG2 LYS 14 -3.274 -4.966 -0.234
109 2HG LYS 14 HG1 LYS 14 -2.320 -4.077 -1.418
110 1HD LYS 14 HD2 LYS 14 -1.740 -6.264 -1.953
111 2HD LYS 14 HD1 LYS 14 -0.463 -5.855 -0.809
112 1HE LYS 14 HE2 LYS 14 -1.586 -7.007 0.991
113 2HE LYS 14 HE1 LYS 14 -3.055 -7.210 0.016
114 1HZ LYS 14 HZ1 LYS 14 -1.966 -8.648 -1.459
115 2HZ LYS 14 HZ2 LYS 14 -1.457 -9.169 0.076
116 3HZ LYS 14 HZ3 LYS 14 -0.422 -8.230 -0.891
117 H GLN 15 HN GLN 15 -1.385 -2.630 -2.411
118 HA GLN 15 HA GLN 15 0.558 -4.448 -3.615
119 1HB GLN 15 HB2 GLN 15 -0.562 -3.817 -5.686
120 2HB GLN 15 HB1 GLN 15 -1.782 -4.031 -4.434
121 1HG GLN 15 HG2 GLN 15 -2.475 -1.907 -4.689
122 2HG GLN 15 HG1 GLN 15 -0.845 -1.304 -4.394
123 1HE2 GLN 15 1HE2 GLN 15 -3.098 -2.322 -6.950
124 2HE2 GLN 15 2HE2 GLN 15 -2.202 -1.666 -8.234
125 H ILE 16 HN ILE 16 0.574 -1.156 -2.683
126 HA ILE 16 HA ILE 16 2.788 -0.417 -4.530
127 HB ILE 16 HB ILE 16 1.076 1.091 -2.521
128 1HG1 ILE 16 2HG1 ILE 16 1.175 1.629 -5.473
129 2HG1 ILE 16 1HG1 ILE 16 0.244 0.249 -4.892
130 1HG2 ILE 16 1HG2 ILE 16 2.973 2.408 -2.476
131 2HG2 ILE 16 2HG2 ILE 16 2.194 3.070 -3.912
132 3HG2 ILE 16 3HG2 ILE 16 3.498 1.894 -4.079
133 1HD1 ILE 16 1HD1 ILE 16 -1.389 1.870 -4.748
134 2HD1 ILE 16 2HD1 ILE 16 -0.225 3.165 -4.468
135 3HD1 ILE 16 3HD1 ILE 16 -0.659 2.069 -3.156
136 H ASN 17 HN ASN 17 2.001 -0.973 -1.142
137 HA ASN 17 HA ASN 17 4.494 -0.108 0.017
138 1HB ASN 17 HB2 ASN 17 1.974 -1.314 0.770
139 2HB ASN 17 HB1 ASN 17 3.297 -2.135 1.596
140 1HD2 ASN 17 1HD2 ASN 17 4.604 -0.871 3.102
141 2HD2 ASN 17 2HD2 ASN 17 4.114 0.666 3.627
142 H ARG 18 HN ARG 18 3.375 -3.212 -1.325
143 HA ARG 18 HA ARG 18 5.477 -4.887 -0.354
144 1HB ARG 18 HB2 ARG 18 4.732 -6.383 -2.128
145 2HB ARG 18 HB1 ARG 18 3.319 -5.562 -1.468
146 1HG ARG 18 HG2 ARG 18 3.571 -3.862 -3.342
147 2HG ARG 18 HG1 ARG 18 4.769 -4.943 -4.054
148 1HD ARG 18 HD2 ARG 18 2.336 -6.383 -3.298
149 2HD ARG 18 HD1 ARG 18 2.015 -5.089 -4.468
150 HE ARG 18 HE ARG 18 4.171 -6.142 -5.630
151 1HH1 ARG 18 1HH2 ARG 18 3.907 -8.557 -3.793
152 2HH1 ARG 18 2HH2 ARG 18 3.014 -9.650 -4.794
153 1HH2 ARG 18 1HH1 ARG 18 2.005 -7.183 -7.029
154 2HH2 ARG 18 2HH1 ARG 18 1.936 -8.869 -6.640
155 H GLY 19 HN GLY 19 5.304 -2.756 -3.206
156 1HA GLY 19 HA2 GLY 19 7.996 -3.552 -4.103
157 2HA GLY 19 HA1 GLY 19 6.952 -2.362 -4.881
158 H LEU 20 HN LEU 20 6.465 -0.994 -2.246
159 HA LEU 20 HA LEU 20 8.704 0.863 -2.363
160 1HB LEU 20 HB2 LEU 20 6.464 1.659 -1.960
161 2HB LEU 20 HB1 LEU 20 6.247 0.534 -0.622
162 HG LEU 20 HG LEU 20 7.993 1.714 0.663
163 1HD1 LEU 20 1HD1 LEU 20 9.431 2.574 -1.042
164 2HD1 LEU 20 2HD1 LEU 20 8.708 3.988 -0.275
165 3HD1 LEU 20 3HD1 LEU 20 8.103 3.424 -1.832
166 1HD2 LEU 20 1HD2 LEU 20 6.682 3.639 1.216
167 2HD2 LEU 20 2HD2 LEU 20 5.535 2.415 0.671
168 3HD2 LEU 20 3HD2 LEU 20 6.003 3.729 -0.409
169 H LYS 21 HN LYS 21 7.604 -1.631 -0.101
170 HA LYS 21 HA LYS 21 9.430 -1.131 2.033
171 1HB LYS 21 HB2 LYS 21 7.396 -2.545 2.119
172 2HB LYS 21 HB1 LYS 21 8.181 -3.720 1.063
173 1HG LYS 21 HG2 LYS 21 9.959 -3.159 3.235
174 2HG LYS 21 HG1 LYS 21 8.366 -3.508 3.908
175 1HD LYS 21 HD2 LYS 21 8.965 -5.341 1.746
176 2HD LYS 21 HD1 LYS 21 10.246 -5.378 2.957
177 1HE LYS 21 HE2 LYS 21 8.215 -5.454 4.661
178 2HE LYS 21 HE1 LYS 21 7.345 -6.093 3.253
179 1HZ LYS 21 HZ1 LYS 21 9.864 -7.130 4.437
180 2HZ LYS 21 HZ2 LYS 21 9.274 -7.625 2.922
181 3HZ LYS 21 HZ3 LYS 21 8.373 -7.932 4.330
182 H LYS 22 HN LYS 22 9.708 -3.417 -0.709
183 HA LYS 22 HA LYS 22 12.300 -4.417 -0.003
184 1HB LYS 22 HB2 LYS 22 12.268 -5.348 -2.251
185 2HB LYS 22 HB1 LYS 22 10.642 -5.447 -1.581
186 1HG LYS 22 HG2 LYS 22 9.984 -4.439 -3.501
187 2HG LYS 22 HG1 LYS 22 10.627 -2.964 -2.780
188 1HD LYS 22 HD2 LYS 22 12.477 -2.951 -4.121
189 2HD LYS 22 HD1 LYS 22 12.622 -4.709 -4.111
190 1HE LYS 22 HE2 LYS 22 10.897 -4.950 -5.775
191 2HE LYS 22 HE1 LYS 22 10.446 -3.238 -5.639
192 1HZ LYS 22 HZ1 LYS 22 13.211 -4.057 -6.317
193 2HZ LYS 22 HZ2 LYS 22 12.463 -2.551 -6.557
194 3HZ LYS 22 HZ3 LYS 22 12.028 -3.880 -7.521
195 H ILE 23 HN ILE 23 11.335 -1.456 -1.615
196 HA ILE 23 HA ILE 23 13.954 -0.907 -2.789
197 HB ILE 23 HB ILE 23 11.418 0.666 -2.280
198 1HG1 ILE 23 2HG1 ILE 23 11.431 -1.048 -4.088
199 2HG1 ILE 23 1HG1 ILE 23 11.236 0.583 -4.726
200 1HG2 ILE 23 1HG2 ILE 23 14.119 1.633 -3.058
201 2HG2 ILE 23 2HG2 ILE 23 12.797 2.497 -2.275
202 3HG2 ILE 23 3HG2 ILE 23 12.772 2.241 -4.019
203 1HD1 ILE 23 1HD1 ILE 23 13.683 -1.180 -4.799
204 2HD1 ILE 23 2HD1 ILE 23 13.818 0.568 -4.989
205 3HD1 ILE 23 3HD1 ILE 23 12.868 -0.373 -6.138
206 H VAL 24 HN VAL 24 12.180 0.184 0.100
207 HA VAL 24 HA VAL 24 14.309 1.888 1.094
208 HB VAL 24 HB VAL 24 11.908 0.562 2.407
209 1HG1 VAL 24 1HG1 VAL 24 12.214 2.443 4.094
210 2HG1 VAL 24 2HG1 VAL 24 13.809 2.705 3.390
211 3HG1 VAL 24 3HG1 VAL 24 13.429 1.166 4.163
212 1HG2 VAL 24 1HG2 VAL 24 12.382 3.257 1.112
213 2HG2 VAL 24 2HG2 VAL 24 11.039 2.972 2.219
214 3HG2 VAL 24 3HG2 VAL 24 11.148 2.063 0.713
215 H LEU 25 HN LEU 25 13.343 -1.473 1.598
216 HA LEU 25 HA LEU 25 15.292 -2.035 3.690
217 1HB LEU 25 HB2 LEU 25 13.276 -3.330 3.557
218 2HB LEU 25 HB1 LEU 25 13.522 -3.665 1.845
219 HG LEU 25 HG LEU 25 15.558 -4.976 2.424
220 1HD1 LEU 25 1HD1 LEU 25 15.979 -5.558 4.772
221 2HD1 LEU 25 2HD1 LEU 25 14.622 -4.553 5.282
222 3HD1 LEU 25 3HD1 LEU 25 16.053 -3.808 4.567
223 1HD2 LEU 25 1HD2 LEU 25 13.270 -6.013 2.213
224 2HD2 LEU 25 2HD2 LEU 25 13.116 -5.897 3.966
225 3HD2 LEU 25 3HD2 LEU 25 14.370 -6.914 3.257
226 H GLY 26 HN GLY 26 15.137 -2.547 0.156
227 1HA GLY 26 HA2 GLY 26 18.097 -2.917 0.156
228 2HA GLY 26 HA1 GLY 26 17.079 -4.068 -0.712
229 H TRP 27 HN TRP 27 18.245 -0.749 -0.662
230 HA TRP 27 HA TRP 27 16.767 0.257 -2.909
231 1HB TRP 27 HB2 TRP 27 18.105 1.525 -1.164
232 2HB TRP 27 HB1 TRP 27 19.566 1.001 -2.002
233 HD1 TRP 27 HD1 TRP 27 20.152 2.119 -4.293
234 HE1 TRP 27 HE1 TRP 27 19.208 4.160 -5.554
235 HE3 TRP 27 HE3 TRP 27 15.860 2.888 -1.636
236 HZ2 TRP 27 HZ2 TRP 27 16.931 5.890 -5.449
237 HZ3 TRP 27 HZ3 TRP 27 14.323 4.737 -2.236
238 HH2 TRP 27 HH2 TRP 27 14.852 6.237 -4.137
239 H ALA 28 HN ALA 28 17.026 -0.158 -5.075
240 HA ALA 28 HA ALA 28 19.609 -1.356 -6.013
241 1HB ALA 28 HB1 ALA 28 16.775 -2.198 -6.713
242 2HB ALA 28 HB2 ALA 28 17.875 -3.088 -5.661
243 3HB ALA 28 HB3 ALA 28 18.245 -2.910 -7.377
Start of MODEL 30
1 1H SER 1 HT1 SER 1 -18.965 6.865 11.444
2 2H SER 1 HT2 SER 1 -18.256 5.328 11.297
3 3H SER 1 HT3 SER 1 -19.920 5.530 11.018
4 HA SER 1 HA SER 1 -19.413 6.949 9.081
5 1HB SER 1 HB2 SER 1 -16.905 6.744 8.421
6 2HB SER 1 HB1 SER 1 -17.322 7.854 9.723
7 HG SER 1 HG SER 1 -15.726 5.709 9.782
8 H GLY 2 HN GLY 2 -19.636 5.833 7.122
9 1HA GLY 2 HA2 GLY 2 -19.237 2.875 7.249
10 2HA GLY 2 HA1 GLY 2 -20.394 3.689 6.194
11 H ASN 3 HN ASN 3 -19.407 5.165 4.514
12 HA ASN 3 HA ASN 3 -17.974 5.489 2.673
13 1HB ASN 3 HB2 ASN 3 -15.927 4.486 4.685
14 2HB ASN 3 HB1 ASN 3 -15.574 5.410 3.227
15 1HD2 ASN 3 1HD2 ASN 3 -16.478 7.683 3.145
16 2HD2 ASN 3 2HD2 ASN 3 -16.742 8.511 4.604
17 H TYR 4 HN TYR 4 -15.915 4.118 1.580
18 HA TYR 4 HA TYR 4 -16.286 1.210 1.707
19 1HB TYR 4 HB2 TYR 4 -18.278 1.865 0.466
20 2HB TYR 4 HB1 TYR 4 -17.321 2.882 -0.610
21 HD1 TYR 4 HD1 TYR 4 -16.471 1.996 -2.607
22 HD2 TYR 4 HD2 TYR 4 -17.638 -0.664 0.558
23 HE1 TYR 4 HE1 TYR 4 -16.067 0.053 -4.091
24 HE2 TYR 4 HE2 TYR 4 -17.235 -2.607 -0.928
25 HH TYR 4 HH TYR 4 -17.220 -2.684 -3.888
26 H VAL 5 HN VAL 5 -15.249 3.769 -0.606
27 HA VAL 5 HA VAL 5 -13.055 2.277 -1.698
28 HB VAL 5 HB VAL 5 -14.187 4.257 -2.718
29 1HG1 VAL 5 1HG1 VAL 5 -13.774 6.482 -1.933
30 2HG1 VAL 5 2HG1 VAL 5 -12.567 5.922 -0.777
31 3HG1 VAL 5 3HG1 VAL 5 -14.271 5.548 -0.523
32 1HG2 VAL 5 1HG2 VAL 5 -12.272 5.014 -3.825
33 2HG2 VAL 5 2HG2 VAL 5 -11.719 3.477 -3.160
34 3HG2 VAL 5 3HG2 VAL 5 -11.292 4.990 -2.360
35 H LEU 6 HN LEU 6 -13.237 4.520 1.080
36 HA LEU 6 HA LEU 6 -10.431 4.773 1.588
37 1HB LEU 6 HB2 LEU 6 -13.008 5.186 2.965
38 2HB LEU 6 HB1 LEU 6 -11.682 4.809 4.064
39 HG LEU 6 HG LEU 6 -11.892 7.248 3.695
40 1HD1 LEU 6 1HD1 LEU 6 -9.593 7.652 3.453
41 2HD1 LEU 6 2HD1 LEU 6 -9.395 6.366 2.262
42 3HD1 LEU 6 3HD1 LEU 6 -9.637 5.965 3.962
43 1HD2 LEU 6 1HD2 LEU 6 -11.322 8.162 1.450
44 2HD2 LEU 6 2HD2 LEU 6 -12.805 7.206 1.420
45 3HD2 LEU 6 3HD2 LEU 6 -11.301 6.520 0.808
46 H ASP 7 HN ASP 7 -12.822 2.375 2.700
47 HA ASP 7 HA ASP 7 -11.002 0.823 4.319
48 1HB ASP 7 HB2 ASP 7 -13.756 0.867 3.517
49 2HB ASP 7 HB1 ASP 7 -13.134 -0.755 3.224
50 H LEU 8 HN LEU 8 -11.890 0.807 0.891
51 HA LEU 8 HA LEU 8 -10.564 -1.720 0.263
52 1HB LEU 8 HB2 LEU 8 -12.267 0.243 -0.965
53 2HB LEU 8 HB1 LEU 8 -10.890 -0.054 -2.025
54 HG LEU 8 HG LEU 8 -11.568 -2.595 -1.127
55 1HD1 LEU 8 1HD1 LEU 8 -14.001 -2.761 -1.574
56 2HD1 LEU 8 2HD1 LEU 8 -14.082 -1.008 -1.746
57 3HD1 LEU 8 3HD1 LEU 8 -13.670 -1.722 -0.188
58 1HD2 LEU 8 1HD2 LEU 8 -10.904 -1.846 -3.428
59 2HD2 LEU 8 2HD2 LEU 8 -12.537 -1.221 -3.657
60 3HD2 LEU 8 3HD2 LEU 8 -12.278 -2.951 -3.432
61 H ILE 9 HN ILE 9 -9.627 1.701 0.260
62 HA ILE 9 HA ILE 9 -7.304 1.660 -1.338
63 HB ILE 9 HB ILE 9 -8.154 3.114 1.164
64 1HG1 ILE 9 2HG1 ILE 9 -9.145 3.591 -1.115
65 2HG1 ILE 9 1HG1 ILE 9 -8.391 4.982 -0.341
66 1HG2 ILE 9 1HG2 ILE 9 -5.827 3.179 1.518
67 2HG2 ILE 9 2HG2 ILE 9 -6.134 4.657 0.607
68 3HG2 ILE 9 3HG2 ILE 9 -5.471 3.240 -0.209
69 1HD1 ILE 9 1HD1 ILE 9 -7.776 4.759 -2.756
70 2HD1 ILE 9 2HD1 ILE 9 -7.019 3.210 -2.386
71 3HD1 ILE 9 3HD1 ILE 9 -6.377 4.695 -1.686
72 H TYR 10 HN TYR 10 -7.844 0.304 1.853
73 HA TYR 10 HA TYR 10 -5.209 -0.087 2.798
74 1HB TYR 10 HB2 TYR 10 -6.371 -1.254 4.380
75 2HB TYR 10 HB1 TYR 10 -7.813 -0.823 3.474
76 HD1 TYR 10 HD1 TYR 10 -5.436 -3.489 4.290
77 HD2 TYR 10 HD2 TYR 10 -8.853 -2.449 1.905
78 HE1 TYR 10 HE1 TYR 10 -5.841 -5.889 3.822
79 HE2 TYR 10 HE2 TYR 10 -9.257 -4.848 1.436
80 HH TYR 10 HH TYR 10 -7.087 -7.180 1.779
81 H SER 11 HN SER 11 -7.065 -1.956 0.404
82 HA SER 11 HA SER 11 -5.022 -3.999 0.002
83 1HB SER 11 HB2 SER 11 -7.515 -4.189 -0.423
84 2HB SER 11 HB1 SER 11 -7.310 -3.101 -1.791
85 HG SER 11 HG SER 11 -6.099 -4.617 -2.816
86 H LEU 12 HN LEU 12 -6.037 -1.016 -1.676
87 HA LEU 12 HA LEU 12 -4.210 -1.118 -3.869
88 1HB LEU 12 HB2 LEU 12 -6.005 0.765 -2.526
89 2HB LEU 12 HB1 LEU 12 -4.579 1.571 -3.174
90 HG LEU 12 HG LEU 12 -6.421 -0.265 -4.736
91 1HD1 LEU 12 1HD1 LEU 12 -7.147 1.765 -5.877
92 2HD1 LEU 12 2HD1 LEU 12 -6.028 2.737 -4.922
93 3HD1 LEU 12 3HD1 LEU 12 -7.403 1.953 -4.143
94 1HD2 LEU 12 1HD2 LEU 12 -4.269 -0.449 -5.720
95 2HD2 LEU 12 2HD2 LEU 12 -3.898 1.250 -5.427
96 3HD2 LEU 12 3HD2 LEU 12 -5.067 0.804 -6.669
97 H HIS 13 HN HIS 13 -3.910 0.219 -0.596
98 HA HIS 13 HA HIS 13 -1.222 1.258 -0.958
99 1HB HIS 13 HB2 HIS 13 -3.217 1.685 0.803
100 2HB HIS 13 HB1 HIS 13 -2.289 0.504 1.727
101 HD1 HIS 13 HD1 HIS 13 0.289 1.114 2.146
102 HD2 HIS 13 HD2 HIS 13 -2.070 4.237 0.716
103 HE1 HIS 13 HE1 HIS 13 1.600 3.242 2.549
104 H LYS 14 HN LYS 14 -2.602 -1.770 0.312
105 HA LYS 14 HA LYS 14 -0.269 -2.933 1.436
106 1HB LYS 14 HB2 LYS 14 -2.427 -3.929 1.759
107 2HB LYS 14 HB1 LYS 14 -2.718 -4.029 0.024
108 1HG LYS 14 HG2 LYS 14 -0.298 -5.448 0.974
109 2HG LYS 14 HG1 LYS 14 -1.829 -6.118 1.535
110 1HD LYS 14 HD2 LYS 14 -1.871 -5.382 -1.307
111 2HD LYS 14 HD1 LYS 14 -0.672 -6.620 -0.931
112 1HE LYS 14 HE2 LYS 14 -2.321 -8.098 -0.030
113 2HE LYS 14 HE1 LYS 14 -3.538 -6.809 0.043
114 1HZ LYS 14 HZ1 LYS 14 -2.244 -7.695 -2.482
115 2HZ LYS 14 HZ2 LYS 14 -3.577 -6.654 -2.314
116 3HZ LYS 14 HZ3 LYS 14 -3.732 -8.303 -1.938
117 H GLN 15 HN GLN 15 -1.334 -2.684 -1.922
118 HA GLN 15 HA GLN 15 0.740 -4.428 -3.006
119 1HB GLN 15 HB2 GLN 15 -1.223 -2.409 -4.124
120 2HB GLN 15 HB1 GLN 15 -0.096 -3.287 -5.158
121 1HG GLN 15 HG2 GLN 15 -1.056 -5.389 -4.616
122 2HG GLN 15 HG1 GLN 15 -1.916 -4.727 -3.226
123 1HE2 GLN 15 1HE2 GLN 15 -1.877 -4.747 -6.805
124 2HE2 GLN 15 2HE2 GLN 15 -3.487 -4.238 -6.981
125 H ILE 16 HN ILE 16 0.254 -0.933 -2.648
126 HA ILE 16 HA ILE 16 2.692 -0.098 -3.951
127 HB ILE 16 HB ILE 16 0.841 1.152 -1.894
128 1HG1 ILE 16 2HG1 ILE 16 1.162 1.861 -4.817
129 2HG1 ILE 16 1HG1 ILE 16 0.060 0.589 -4.291
130 1HG2 ILE 16 1HG2 ILE 16 1.962 3.313 -2.875
131 2HG2 ILE 16 2HG2 ILE 16 3.292 2.225 -3.268
132 3HG2 ILE 16 3HG2 ILE 16 2.781 2.424 -1.593
133 1HD1 ILE 16 1HD1 ILE 16 -0.713 2.496 -2.579
134 2HD1 ILE 16 2HD1 ILE 16 -1.392 2.377 -4.202
135 3HD1 ILE 16 3HD1 ILE 16 -0.108 3.539 -3.867
136 H ASN 17 HN ASN 17 1.825 -0.893 -0.616
137 HA ASN 17 HA ASN 17 4.255 -0.073 0.674
138 1HB ASN 17 HB2 ASN 17 1.767 -1.249 1.308
139 2HB ASN 17 HB1 ASN 17 2.977 -2.398 1.867
140 1HD2 ASN 17 1HD2 ASN 17 1.208 -0.494 3.454
141 2HD2 ASN 17 2HD2 ASN 17 2.287 0.413 4.399
142 H ARG 18 HN ARG 18 3.244 -3.207 -0.735
143 HA ARG 18 HA ARG 18 5.452 -4.806 0.031
144 1HB ARG 18 HB2 ARG 18 3.607 -4.717 -2.361
145 2HB ARG 18 HB1 ARG 18 4.855 -5.956 -2.232
146 1HG ARG 18 HG2 ARG 18 3.465 -5.740 0.283
147 2HG ARG 18 HG1 ARG 18 2.293 -5.958 -1.016
148 1HD ARG 18 HD2 ARG 18 2.899 -8.126 -1.307
149 2HD ARG 18 HD1 ARG 18 4.623 -7.706 -1.340
150 HE ARG 18 HE ARG 18 4.549 -7.649 1.160
151 1HH1 ARG 18 1HH1 ARG 18 1.684 -7.537 1.723
152 2HH1 ARG 18 2HH1 ARG 18 1.266 -9.186 2.045
153 1HH2 ARG 18 1HH2 ARG 18 4.148 -10.474 0.586
154 2HH2 ARG 18 2HH2 ARG 18 2.670 -10.857 1.403
155 H GLY 19 HN GLY 19 5.063 -2.872 -2.971
156 1HA GLY 19 HA2 GLY 19 7.778 -3.344 -3.865
157 2HA GLY 19 HA1 GLY 19 6.679 -2.121 -4.511
158 H LEU 20 HN LEU 20 6.144 -0.672 -2.158
159 HA LEU 20 HA LEU 20 8.243 1.206 -2.018
160 1HB LEU 20 HB2 LEU 20 5.994 1.698 -1.288
161 2HB LEU 20 HB1 LEU 20 6.047 0.407 -0.089
162 HG LEU 20 HG LEU 20 7.895 1.638 1.075
163 1HD1 LEU 20 1HD1 LEU 20 8.751 2.954 -0.781
164 2HD1 LEU 20 2HD1 LEU 20 8.160 4.058 0.460
165 3HD1 LEU 20 3HD1 LEU 20 7.190 3.752 -0.983
166 1HD2 LEU 20 1HD2 LEU 20 6.437 3.239 2.136
167 2HD2 LEU 20 2HD2 LEU 20 5.443 1.858 1.670
168 3HD2 LEU 20 3HD2 LEU 20 5.410 3.333 0.704
169 H LYS 21 HN LYS 21 7.572 -1.554 0.128
170 HA LYS 21 HA LYS 21 9.708 -1.119 1.988
171 1HB LYS 21 HB2 LYS 21 7.874 -3.308 1.156
172 2HB LYS 21 HB1 LYS 21 9.325 -3.803 2.027
173 1HG LYS 21 HG2 LYS 21 8.779 -2.194 3.830
174 2HG LYS 21 HG1 LYS 21 7.304 -1.748 2.970
175 1HD LYS 21 HD2 LYS 21 6.296 -3.819 3.348
176 2HD LYS 21 HD1 LYS 21 7.837 -4.637 3.601
177 1HE LYS 21 HE2 LYS 21 7.102 -2.458 5.525
178 2HE LYS 21 HE1 LYS 21 6.267 -4.017 5.676
179 1HZ LYS 21 HZ1 LYS 21 8.328 -5.160 5.799
180 2HZ LYS 21 HZ2 LYS 21 8.432 -3.871 6.901
181 3HZ LYS 21 HZ3 LYS 21 9.214 -3.770 5.396
182 H LYS 22 HN LYS 22 9.522 -3.193 -0.906
183 HA LYS 22 HA LYS 22 12.130 -4.298 -0.838
184 1HB LYS 22 HB2 LYS 22 10.268 -4.994 -2.309
185 2HB LYS 22 HB1 LYS 22 10.409 -3.480 -3.200
186 1HG LYS 22 HG2 LYS 22 12.984 -4.816 -3.003
187 2HG LYS 22 HG1 LYS 22 11.776 -5.867 -3.743
188 1HD LYS 22 HD2 LYS 22 11.207 -4.119 -5.365
189 2HD LYS 22 HD1 LYS 22 12.355 -3.017 -4.604
190 1HE LYS 22 HE2 LYS 22 14.232 -4.347 -5.278
191 2HE LYS 22 HE1 LYS 22 13.187 -5.703 -5.747
192 1HZ LYS 22 HZ1 LYS 22 12.117 -4.222 -7.376
193 2HZ LYS 22 HZ2 LYS 22 13.771 -4.434 -7.701
194 3HZ LYS 22 HZ3 LYS 22 13.221 -2.996 -6.982
195 H ILE 23 HN ILE 23 11.055 -1.136 -2.026
196 HA ILE 23 HA ILE 23 13.482 -0.405 -3.388
197 HB ILE 23 HB ILE 23 11.268 1.199 -2.067
198 1HG1 ILE 23 2HG1 ILE 23 10.443 -0.149 -3.898
199 2HG1 ILE 23 1HG1 ILE 23 10.571 1.509 -4.479
200 1HG2 ILE 23 1HG2 ILE 23 13.356 2.538 -2.324
201 2HG2 ILE 23 2HG2 ILE 23 12.056 3.115 -3.365
202 3HG2 ILE 23 3HG2 ILE 23 13.366 2.149 -4.044
203 1HD1 ILE 23 1HD1 ILE 23 12.436 -0.805 -5.038
204 2HD1 ILE 23 2HD1 ILE 23 12.897 0.869 -5.345
205 3HD1 ILE 23 3HD1 ILE 23 11.526 0.163 -6.198
206 H VAL 24 HN VAL 24 12.358 0.122 -0.055
207 HA VAL 24 HA VAL 24 14.863 1.463 0.729
208 HB VAL 24 HB VAL 24 12.371 0.541 2.199
209 1HG1 VAL 24 1HG1 VAL 24 13.858 0.602 3.970
210 2HG1 VAL 24 2HG1 VAL 24 13.422 2.309 3.900
211 3HG1 VAL 24 3HG1 VAL 24 14.928 1.754 3.171
212 1HG2 VAL 24 1HG2 VAL 24 13.371 3.304 1.425
213 2HG2 VAL 24 2HG2 VAL 24 11.860 2.946 2.260
214 3HG2 VAL 24 3HG2 VAL 24 12.092 2.420 0.592
215 H LEU 25 HN LEU 25 13.422 -1.732 0.923
216 HA LEU 25 HA LEU 25 15.298 -2.824 2.865
217 1HB LEU 25 HB2 LEU 25 13.020 -3.684 2.519
218 2HB LEU 25 HB1 LEU 25 13.401 -4.069 0.842
219 HG LEU 25 HG LEU 25 15.103 -5.681 1.587
220 1HD1 LEU 25 1HD1 LEU 25 15.904 -4.820 3.639
221 2HD1 LEU 25 2HD1 LEU 25 14.998 -6.257 4.113
222 3HD1 LEU 25 3HD1 LEU 25 14.279 -4.658 4.305
223 1HD2 LEU 25 1HD2 LEU 25 12.382 -6.008 1.654
224 2HD2 LEU 25 2HD2 LEU 25 12.832 -6.524 3.279
225 3HD2 LEU 25 3HD2 LEU 25 13.543 -7.317 1.873
226 H GLY 26 HN GLY 26 15.042 -2.816 -0.698
227 1HA GLY 26 HA2 GLY 26 17.443 -4.474 -1.008
228 2HA GLY 26 HA1 GLY 26 16.517 -3.733 -2.314
229 H TRP 27 HN TRP 27 16.579 -1.072 -1.782
230 HA TRP 27 HA TRP 27 19.494 -0.444 -1.981
231 1HB TRP 27 HB2 TRP 27 16.982 0.473 -3.194
232 2HB TRP 27 HB1 TRP 27 18.022 1.804 -2.688
233 HD1 TRP 27 HD1 TRP 27 20.728 1.426 -3.479
234 HE1 TRP 27 HE1 TRP 27 21.565 0.685 -5.802
235 HE3 TRP 27 HE3 TRP 27 16.483 -0.758 -5.294
236 HZ2 TRP 27 HZ2 TRP 27 20.567 -0.653 -8.125
237 HZ3 TRP 27 HZ3 TRP 27 16.454 -1.756 -7.563
238 HH2 TRP 27 HH2 TRP 27 18.488 -1.707 -8.978
239 H ALA 28 HN ALA 28 20.469 0.899 -0.479
240 HA ALA 28 HA ALA 28 18.732 2.333 1.494
241 1HB ALA 28 HB1 ALA 28 21.185 0.680 2.171
242 2HB ALA 28 HB2 ALA 28 19.536 0.062 2.283
243 3HB ALA 28 HB3 ALA 28 20.045 1.407 3.304
Start of MODEL 31
1 1H SER 1 HT1 SER 1 -19.756 11.855 6.075
2 2H SER 1 HT2 SER 1 -18.678 13.042 5.514
3 3H SER 1 HT3 SER 1 -18.321 12.166 6.926
4 HA SER 1 HA SER 1 -18.437 11.073 4.155
5 1HB SER 1 HB2 SER 1 -16.505 12.566 5.375
6 2HB SER 1 HB1 SER 1 -16.029 10.951 5.888
7 HG SER 1 HG SER 1 -15.557 10.447 3.878
8 H GLY 2 HN GLY 2 -18.190 8.793 4.032
9 1HA GLY 2 HA2 GLY 2 -17.465 6.998 6.049
10 2HA GLY 2 HA1 GLY 2 -19.193 7.268 6.279
11 H ASN 3 HN ASN 3 -16.772 5.862 4.183
12 HA ASN 3 HA ASN 3 -18.952 4.423 2.720
13 1HB ASN 3 HB2 ASN 3 -17.813 6.518 1.593
14 2HB ASN 3 HB1 ASN 3 -16.480 5.401 1.311
15 1HD2 ASN 3 1HD2 ASN 3 -16.982 5.563 -1.055
16 2HD2 ASN 3 2HD2 ASN 3 -18.286 4.689 -1.698
17 H TYR 4 HN TYR 4 -17.838 2.585 1.356
18 HA TYR 4 HA TYR 4 -16.040 1.106 3.199
19 1HB TYR 4 HB2 TYR 4 -16.773 -0.831 1.929
20 2HB TYR 4 HB1 TYR 4 -18.184 0.160 2.281
21 HD1 TYR 4 HD1 TYR 4 -19.418 1.262 0.521
22 HD2 TYR 4 HD2 TYR 4 -15.765 -0.824 -0.353
23 HE1 TYR 4 HE1 TYR 4 -19.910 1.413 -1.904
24 HE2 TYR 4 HE2 TYR 4 -16.258 -0.670 -2.777
25 HH TYR 4 HH TYR 4 -18.305 1.385 -4.110
26 H VAL 5 HN VAL 5 -15.968 2.640 0.021
27 HA VAL 5 HA VAL 5 -13.705 1.295 -1.091
28 HB VAL 5 HB VAL 5 -15.374 2.883 -2.186
29 1HG1 VAL 5 1HG1 VAL 5 -13.505 5.031 -1.159
30 2HG1 VAL 5 2HG1 VAL 5 -15.064 4.678 -0.416
31 3HG1 VAL 5 3HG1 VAL 5 -14.991 5.250 -2.082
32 1HG2 VAL 5 1HG2 VAL 5 -13.537 2.198 -3.520
33 2HG2 VAL 5 2HG2 VAL 5 -12.389 3.144 -2.572
34 3HG2 VAL 5 3HG2 VAL 5 -13.534 3.957 -3.640
35 H LEU 6 HN LEU 6 -13.901 4.064 1.161
36 HA LEU 6 HA LEU 6 -11.140 4.824 1.122
37 1HB LEU 6 HB2 LEU 6 -13.471 5.622 2.370
38 2HB LEU 6 HB1 LEU 6 -12.569 4.928 3.715
39 HG LEU 6 HG LEU 6 -12.048 7.303 3.540
40 1HD1 LEU 6 1HD1 LEU 6 -10.230 5.573 4.053
41 2HD1 LEU 6 2HD1 LEU 6 -9.672 7.162 3.530
42 3HD1 LEU 6 3HD1 LEU 6 -9.680 5.813 2.395
43 1HD2 LEU 6 1HD2 LEU 6 -11.184 8.314 1.548
44 2HD2 LEU 6 2HD2 LEU 6 -12.601 7.391 1.051
45 3HD2 LEU 6 3HD2 LEU 6 -10.985 6.749 0.759
46 H ASP 7 HN ASP 7 -12.905 2.404 3.059
47 HA ASP 7 HA ASP 7 -10.640 1.568 4.647
48 1HB ASP 7 HB2 ASP 7 -13.422 1.006 4.346
49 2HB ASP 7 HB1 ASP 7 -12.570 -0.529 4.184
50 H LEU 8 HN LEU 8 -12.063 0.458 1.574
51 HA LEU 8 HA LEU 8 -10.370 -1.825 1.161
52 1HB LEU 8 HB2 LEU 8 -12.442 -0.350 -0.157
53 2HB LEU 8 HB1 LEU 8 -11.137 -0.621 -1.313
54 HG LEU 8 HG LEU 8 -11.303 -3.054 -0.005
55 1HD1 LEU 8 1HD1 LEU 8 -13.669 -3.656 0.033
56 2HD1 LEU 8 2HD1 LEU 8 -14.119 -2.041 -0.514
57 3HD1 LEU 8 3HD1 LEU 8 -13.410 -2.266 1.084
58 1HD2 LEU 8 1HD2 LEU 8 -11.129 -2.445 -2.494
59 2HD2 LEU 8 2HD2 LEU 8 -12.891 -2.364 -2.491
60 3HD2 LEU 8 3HD2 LEU 8 -12.077 -3.881 -2.108
61 H ILE 9 HN ILE 9 -9.883 1.627 0.524
62 HA ILE 9 HA ILE 9 -7.765 1.583 -1.329
63 HB ILE 9 HB ILE 9 -8.402 3.317 1.067
64 1HG1 ILE 9 2HG1 ILE 9 -8.490 3.945 -1.893
65 2HG1 ILE 9 1HG1 ILE 9 -9.862 3.266 -1.024
66 1HG2 ILE 9 1HG2 ILE 9 -6.167 3.630 -0.955
67 2HG2 ILE 9 2HG2 ILE 9 -6.026 3.577 0.802
68 3HG2 ILE 9 3HG2 ILE 9 -6.776 4.967 0.021
69 1HD1 ILE 9 1HD1 ILE 9 -8.667 5.989 -0.851
70 2HD1 ILE 9 2HD1 ILE 9 -9.294 5.291 0.641
71 3HD1 ILE 9 3HD1 ILE 9 -10.357 5.496 -0.752
72 H TYR 10 HN TYR 10 -7.772 0.753 2.085
73 HA TYR 10 HA TYR 10 -5.009 0.753 2.697
74 1HB TYR 10 HB2 TYR 10 -5.841 -0.149 4.621
75 2HB TYR 10 HB1 TYR 10 -7.423 -0.039 3.865
76 HD1 TYR 10 HD1 TYR 10 -8.630 -2.014 3.242
77 HD2 TYR 10 HD2 TYR 10 -4.493 -2.288 4.363
78 HE1 TYR 10 HE1 TYR 10 -8.801 -4.482 3.260
79 HE2 TYR 10 HE2 TYR 10 -4.665 -4.760 4.381
80 HH TYR 10 HH TYR 10 -6.529 -6.477 2.975
81 H SER 11 HN SER 11 -6.969 -1.822 1.151
82 HA SER 11 HA SER 11 -4.772 -3.680 0.823
83 1HB SER 11 HB2 SER 11 -7.349 -4.026 0.803
84 2HB SER 11 HB1 SER 11 -7.268 -3.521 -0.881
85 HG SER 11 HG SER 11 -5.797 -5.224 -1.244
86 H LEU 12 HN LEU 12 -6.209 -1.132 -1.197
87 HA LEU 12 HA LEU 12 -4.764 -1.661 -3.620
88 1HB LEU 12 HB2 LEU 12 -6.726 0.059 -2.747
89 2HB LEU 12 HB1 LEU 12 -5.350 1.152 -2.891
90 HG LEU 12 HG LEU 12 -6.625 1.062 -4.997
91 1HD1 LEU 12 1HD1 LEU 12 -4.046 1.223 -4.884
92 2HD1 LEU 12 2HD1 LEU 12 -4.772 0.827 -6.440
93 3HD1 LEU 12 3HD1 LEU 12 -4.053 -0.446 -5.454
94 1HD2 LEU 12 1HD2 LEU 12 -5.779 -1.818 -5.295
95 2HD2 LEU 12 2HD2 LEU 12 -7.008 -0.931 -6.196
96 3HD2 LEU 12 3HD2 LEU 12 -7.311 -1.404 -4.525
97 H HIS 13 HN HIS 13 -4.055 0.287 -0.752
98 HA HIS 13 HA HIS 13 -1.584 1.449 -1.661
99 1HB HIS 13 HB2 HIS 13 -3.219 1.941 0.353
100 2HB HIS 13 HB1 HIS 13 -2.196 0.791 1.211
101 HD1 HIS 13 HD1 HIS 13 -2.115 4.171 -0.438
102 HD2 HIS 13 HD2 HIS 13 0.425 1.713 1.767
103 HE1 HIS 13 HE1 HIS 13 -0.100 5.583 0.171
104 H LYS 14 HN LYS 14 -2.393 -1.642 -0.138
105 HA LYS 14 HA LYS 14 0.159 -2.492 0.753
106 1HB LYS 14 HB2 LYS 14 -2.263 -3.502 0.900
107 2HB LYS 14 HB1 LYS 14 -1.813 -4.329 -0.590
108 1HG LYS 14 HG2 LYS 14 0.122 -4.411 1.687
109 2HG LYS 14 HG1 LYS 14 -1.326 -5.411 1.796
110 1HD LYS 14 HD2 LYS 14 -0.193 -5.631 -0.849
111 2HD LYS 14 HD1 LYS 14 1.041 -5.984 0.359
112 1HE LYS 14 HE2 LYS 14 0.015 -8.089 0.054
113 2HE LYS 14 HE1 LYS 14 -0.852 -7.453 1.465
114 1HZ LYS 14 HZ1 LYS 14 -2.639 -6.761 0.153
115 2HZ LYS 14 HZ2 LYS 14 -2.254 -8.291 -0.475
116 3HZ LYS 14 HZ3 LYS 14 -1.765 -6.887 -1.296
117 H GLN 15 HN GLN 15 -1.223 -2.439 -2.497
118 HA GLN 15 HA GLN 15 0.747 -4.092 -3.795
119 1HB GLN 15 HB2 GLN 15 -1.207 -1.950 -4.620
120 2HB GLN 15 HB1 GLN 15 -0.088 -2.626 -5.803
121 1HG GLN 15 HG2 GLN 15 -0.950 -4.838 -5.497
122 2HG GLN 15 HG1 GLN 15 -1.859 -4.357 -4.063
123 1HE2 GLN 15 1HE2 GLN 15 -2.111 -4.804 -7.434
124 2HE2 GLN 15 2HE2 GLN 15 -3.570 -3.972 -7.676
125 H ILE 16 HN ILE 16 0.497 -0.571 -3.332
126 HA ILE 16 HA ILE 16 2.992 0.095 -4.630
127 HB ILE 16 HB ILE 16 1.303 1.491 -2.523
128 1HG1 ILE 16 2HG1 ILE 16 1.365 2.567 -5.253
129 2HG1 ILE 16 1HG1 ILE 16 0.731 0.923 -5.184
130 1HG2 ILE 16 1HG2 ILE 16 2.544 3.524 -3.730
131 2HG2 ILE 16 2HG2 ILE 16 3.787 2.298 -3.983
132 3HG2 ILE 16 3HG2 ILE 16 3.266 2.701 -2.347
133 1HD1 ILE 16 1HD1 ILE 16 -1.098 2.517 -4.880
134 2HD1 ILE 16 2HD1 ILE 16 -0.238 3.283 -3.544
135 3HD1 ILE 16 3HD1 ILE 16 -0.830 1.631 -3.379
136 H ASN 17 HN ASN 17 2.053 -0.684 -1.317
137 HA ASN 17 HA ASN 17 4.559 -0.091 -0.032
138 1HB ASN 17 HB2 ASN 17 1.968 -1.302 0.543
139 2HB ASN 17 HB1 ASN 17 3.271 -2.147 1.377
140 1HD2 ASN 17 1HD2 ASN 17 2.411 1.298 0.652
141 2HD2 ASN 17 2HD2 ASN 17 2.780 1.862 2.211
142 H ARG 18 HN ARG 18 3.292 -2.998 -1.649
143 HA ARG 18 HA ARG 18 5.283 -4.877 -0.836
144 1HB ARG 18 HB2 ARG 18 3.312 -4.519 -3.042
145 2HB ARG 18 HB1 ARG 18 4.610 -5.670 -3.350
146 1HG ARG 18 HG2 ARG 18 4.062 -6.872 -1.276
147 2HG ARG 18 HG1 ARG 18 2.790 -5.703 -0.924
148 1HD ARG 18 HD2 ARG 18 1.659 -7.554 -1.938
149 2HD ARG 18 HD1 ARG 18 1.812 -6.356 -3.239
150 HE ARG 18 HE ARG 18 4.161 -7.812 -3.432
151 1HH1 ARG 18 1HH2 ARG 18 1.725 -7.898 -5.348
152 2HH1 ARG 18 2HH2 ARG 18 1.473 -9.608 -5.449
153 1HH2 ARG 18 1HH1 ARG 18 3.448 -10.327 -2.680
154 2HH2 ARG 18 2HH1 ARG 18 2.451 -10.988 -3.931
155 H GLY 19 HN GLY 19 5.205 -2.588 -3.581
156 1HA GLY 19 HA2 GLY 19 7.907 -3.376 -4.444
157 2HA GLY 19 HA1 GLY 19 6.895 -2.145 -5.198
158 H LEU 20 HN LEU 20 6.562 -1.184 -2.176
159 HA LEU 20 HA LEU 20 8.766 0.774 -2.349
160 1HB LEU 20 HB2 LEU 20 6.526 1.573 -1.913
161 2HB LEU 20 HB1 LEU 20 6.317 0.417 -0.600
162 HG LEU 20 HG LEU 20 8.069 1.546 0.702
163 1HD1 LEU 20 1HD1 LEU 20 8.686 3.910 -0.319
164 2HD1 LEU 20 2HD1 LEU 20 8.342 3.102 -1.848
165 3HD1 LEU 20 3HD1 LEU 20 9.600 2.475 -0.782
166 1HD2 LEU 20 1HD2 LEU 20 6.093 3.582 -0.367
167 2HD2 LEU 20 2HD2 LEU 20 6.831 3.551 1.234
168 3HD2 LEU 20 3HD2 LEU 20 5.661 2.314 0.779
169 H LYS 21 HN LYS 21 7.586 -1.738 -0.120
170 HA LYS 21 HA LYS 21 9.514 -1.328 1.954
171 1HB LYS 21 HB2 LYS 21 8.776 -3.543 2.699
172 2HB LYS 21 HB1 LYS 21 7.390 -2.619 2.126
173 1HG LYS 21 HG2 LYS 21 6.957 -4.515 0.928
174 2HG LYS 21 HG1 LYS 21 8.141 -3.839 -0.187
175 1HD LYS 21 HD2 LYS 21 9.761 -5.350 0.396
176 2HD LYS 21 HD1 LYS 21 9.239 -5.415 2.079
177 1HE LYS 21 HE2 LYS 21 7.160 -6.676 1.228
178 2HE LYS 21 HE1 LYS 21 8.049 -6.869 -0.297
179 1HZ LYS 21 HZ1 LYS 21 8.470 -8.703 1.275
180 2HZ LYS 21 HZ2 LYS 21 9.114 -7.592 2.386
181 3HZ LYS 21 HZ3 LYS 21 9.883 -7.847 0.892
182 H LYS 22 HN LYS 22 9.703 -3.127 -1.077
183 HA LYS 22 HA LYS 22 12.143 -4.557 -0.419
184 1HB LYS 22 HB2 LYS 22 12.123 -5.087 -2.821
185 2HB LYS 22 HB1 LYS 22 10.500 -5.248 -2.157
186 1HG LYS 22 HG2 LYS 22 9.804 -3.852 -3.787
187 2HG LYS 22 HG1 LYS 22 10.668 -2.565 -2.948
188 1HD LYS 22 HD2 LYS 22 12.232 -2.457 -4.566
189 2HD LYS 22 HD1 LYS 22 12.498 -4.199 -4.504
190 1HE LYS 22 HE2 LYS 22 11.663 -3.976 -6.675
191 2HE LYS 22 HE1 LYS 22 10.152 -4.249 -5.787
192 1HZ LYS 22 HZ1 LYS 22 11.329 -1.559 -6.242
193 2HZ LYS 22 HZ2 LYS 22 9.794 -1.914 -5.606
194 3HZ LYS 22 HZ3 LYS 22 10.136 -2.233 -7.242
195 H ILE 23 HN ILE 23 11.426 -1.337 -1.545
196 HA ILE 23 HA ILE 23 14.132 -0.771 -2.529
197 HB ILE 23 HB ILE 23 11.660 0.882 -1.922
198 1HG1 ILE 23 2HG1 ILE 23 11.513 -0.626 -3.875
199 2HG1 ILE 23 1HG1 ILE 23 11.539 1.061 -4.385
200 1HG2 ILE 23 1HG2 ILE 23 14.427 1.705 -2.705
201 2HG2 ILE 23 2HG2 ILE 23 13.252 2.542 -1.691
202 3HG2 ILE 23 3HG2 ILE 23 13.071 2.555 -3.445
203 1HD1 ILE 23 1HD1 ILE 23 14.061 0.802 -4.681
204 2HD1 ILE 23 2HD1 ILE 23 13.063 -0.088 -5.829
205 3HD1 ILE 23 3HD1 ILE 23 13.816 -0.933 -4.476
206 H VAL 24 HN VAL 24 12.196 -0.085 0.366
207 HA VAL 24 HA VAL 24 14.196 1.474 1.751
208 HB VAL 24 HB VAL 24 11.826 -0.174 2.704
209 1HG1 VAL 24 1HG1 VAL 24 13.691 1.723 4.107
210 2HG1 VAL 24 2HG1 VAL 24 13.040 0.184 4.671
211 3HG1 VAL 24 3HG1 VAL 24 12.007 1.613 4.621
212 1HG2 VAL 24 1HG2 VAL 24 10.679 2.025 2.751
213 2HG2 VAL 24 2HG2 VAL 24 11.234 1.628 1.125
214 3HG2 VAL 24 3HG2 VAL 24 12.131 2.789 2.103
215 H LEU 25 HN LEU 25 13.487 -1.961 1.498
216 HA LEU 25 HA LEU 25 15.113 -2.938 3.650
217 1HB LEU 25 HB2 LEU 25 13.310 -4.046 2.116
218 2HB LEU 25 HB1 LEU 25 14.645 -4.333 1.006
219 HG LEU 25 HG LEU 25 14.311 -6.289 2.418
220 1HD1 LEU 25 1HD1 LEU 25 16.545 -6.630 3.064
221 2HD1 LEU 25 2HD1 LEU 25 16.767 -4.943 3.524
222 3HD1 LEU 25 3HD1 LEU 25 16.668 -5.387 1.820
223 1HD2 LEU 25 1HD2 LEU 25 13.300 -4.921 4.323
224 2HD2 LEU 25 2HD2 LEU 25 14.954 -4.543 4.806
225 3HD2 LEU 25 3HD2 LEU 25 14.395 -6.215 4.809
226 H GLY 26 HN GLY 26 15.824 -2.982 0.131
227 1HA GLY 26 HA2 GLY 26 18.623 -3.524 0.458
228 2HA GLY 26 HA1 GLY 26 17.874 -2.912 -1.017
229 H TRP 27 HN TRP 27 16.895 -0.454 -0.244
230 HA TRP 27 HA TRP 27 19.411 1.032 0.414
231 1HB TRP 27 HB2 TRP 27 18.154 1.288 -1.800
232 2HB TRP 27 HB1 TRP 27 16.866 2.056 -0.872
233 HD1 TRP 27 HD1 TRP 27 20.322 2.654 -2.259
234 HE1 TRP 27 HE1 TRP 27 21.018 5.094 -1.807
235 HE3 TRP 27 HE3 TRP 27 16.558 4.081 0.884
236 HZ2 TRP 27 HZ2 TRP 27 20.101 7.353 -0.309
237 HZ3 TRP 27 HZ3 TRP 27 16.494 6.379 1.808
238 HH2 TRP 27 HH2 TRP 27 18.259 8.015 1.215
239 H ALA 28 HN ALA 28 19.448 1.626 2.552
240 HA ALA 28 HA ALA 28 16.926 2.125 4.025
241 1HB ALA 28 HB1 ALA 28 18.814 0.769 4.935
242 2HB ALA 28 HB2 ALA 28 18.437 2.156 5.957
243 3HB ALA 28 HB3 ALA 28 19.837 2.205 4.885
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