Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21495 | 2hn8 RC | 7258 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 HT1 VAL 1 -27.086 2.084 1.171
2 2H VAL 1 HT2 VAL 1 -26.599 2.782 -0.320
3 3H VAL 1 HT3 VAL 1 -25.588 2.912 1.061
4 HA VAL 1 HA VAL 1 -26.124 0.629 -0.667
5 HB VAL 1 HB VAL 1 -23.531 1.247 0.679
6 1HG1 VAL 1 HG11 VAL 1 -22.946 0.601 -1.859
7 2HG1 VAL 1 HG12 VAL 1 -24.496 -0.222 -1.689
8 3HG1 VAL 1 HG13 VAL 1 -23.175 -0.592 -0.581
9 1HG2 VAL 1 HG21 VAL 1 -23.696 3.377 -0.094
10 2HG2 VAL 1 HG22 VAL 1 -24.873 2.952 -1.337
11 3HG2 VAL 1 HG23 VAL 1 -23.161 2.609 -1.589
12 H MET 2 HN MET 2 -25.024 -1.420 0.128
13 HA MET 2 HA MET 2 -26.264 -2.277 2.479
14 1HB MET 2 HB2 MET 2 -24.504 -3.388 0.416
15 2HB MET 2 HB1 MET 2 -24.343 -4.143 1.983
16 1HG MET 2 HG2 MET 2 -27.027 -3.727 0.762
17 2HG MET 2 HG1 MET 2 -26.025 -5.099 0.293
18 1HE MET 2 HE1 MET 2 -24.987 -6.552 3.419
19 2HE MET 2 HE2 MET 2 -25.046 -6.643 1.659
20 3HE MET 2 HE3 MET 2 -26.169 -7.596 2.629
21 HA PRO 3 HA PRO 3 -23.527 -0.407 5.525
22 1HB PRO 3 HB2 PRO 3 -24.251 -2.450 7.366
23 2HB PRO 3 HB1 PRO 3 -24.864 -0.805 7.286
24 1HG PRO 3 HG2 PRO 3 -26.027 -3.306 6.223
25 2HG PRO 3 HG1 PRO 3 -26.845 -1.835 6.783
26 1HD PRO 3 HD2 PRO 3 -26.693 -2.432 4.188
27 2HD PRO 3 HD1 PRO 3 -26.540 -0.751 4.747
28 H LYS 4 HN LYS 4 -23.592 -3.740 4.663
29 HA LYS 4 HA LYS 4 -20.998 -4.267 5.905
30 1HB LYS 4 HB2 LYS 4 -22.919 -6.075 4.440
31 2HB LYS 4 HB1 LYS 4 -21.422 -6.606 5.196
32 1HG LYS 4 HG2 LYS 4 -22.249 -6.364 7.326
33 2HG LYS 4 HG1 LYS 4 -23.450 -5.166 6.837
34 1HD LYS 4 HD2 LYS 4 -24.637 -7.162 7.331
35 2HD LYS 4 HD1 LYS 4 -24.611 -7.009 5.573
36 1HE LYS 4 HE2 LYS 4 -22.372 -8.513 6.757
37 2HE LYS 4 HE1 LYS 4 -23.960 -9.265 6.910
38 1HZ LYS 4 HZ1 LYS 4 -23.461 -10.048 4.879
39 2HZ LYS 4 HZ2 LYS 4 -22.338 -8.828 4.546
40 3HZ LYS 4 HZ3 LYS 4 -23.991 -8.531 4.349
41 H GLN 5 HN GLN 5 -22.296 -3.498 2.817
42 HA GLN 5 HA GLN 5 -20.034 -4.626 1.427
43 1HB GLN 5 HB2 GLN 5 -21.557 -4.794 -0.217
44 2HB GLN 5 HB1 GLN 5 -22.702 -3.952 0.802
45 1HG GLN 5 HG2 GLN 5 -22.720 -2.661 -1.054
46 2HG GLN 5 HG1 GLN 5 -21.553 -1.810 -0.078
47 1HE2 GLN 5 HE21 GLN 5 -19.449 -3.705 -0.620
48 2HE2 GLN 5 HE22 GLN 5 -19.032 -3.486 -2.261
49 H ILE 6 HN ILE 6 -21.104 -1.575 2.635
50 HA ILE 6 HA ILE 6 -19.080 -0.152 1.159
51 HB ILE 6 HB ILE 6 -19.838 1.757 2.706
52 1HG1 ILE 6 HG12 ILE 6 -22.142 1.645 3.434
53 2HG1 ILE 6 HG11 ILE 6 -22.270 -0.010 2.910
54 1HG2 ILE 6 HG21 ILE 6 -20.150 1.594 0.310
55 2HG2 ILE 6 HG22 ILE 6 -21.542 2.347 1.096
56 3HG2 ILE 6 HG23 ILE 6 -21.626 0.663 0.573
57 1HD1 ILE 6 HD11 ILE 6 -21.058 -0.785 4.677
58 2HD1 ILE 6 HD12 ILE 6 -21.825 0.615 5.415
59 3HD1 ILE 6 HD13 ILE 6 -20.152 0.710 4.859
60 H VAL 7 HN VAL 7 -19.601 -1.616 4.241
61 HA VAL 7 HA VAL 7 -17.448 -0.348 5.631
62 HB VAL 7 HB VAL 7 -19.604 -1.602 6.532
63 1HG1 VAL 7 HG11 VAL 7 -17.579 -3.835 6.508
64 2HG1 VAL 7 HG12 VAL 7 -19.059 -3.777 5.551
65 3HG1 VAL 7 HG13 VAL 7 -19.149 -3.859 7.310
66 1HG2 VAL 7 HG21 VAL 7 -18.683 -1.511 8.620
67 2HG2 VAL 7 HG22 VAL 7 -17.623 -0.447 7.698
68 3HG2 VAL 7 HG23 VAL 7 -17.114 -2.093 8.070
69 H TYR 8 HN TYR 8 -18.122 -3.282 3.893
70 HA TYR 8 HA TYR 8 -15.718 -4.713 4.165
71 1HB TYR 8 HB2 TYR 8 -18.085 -5.011 2.727
72 2HB TYR 8 HB1 TYR 8 -16.854 -4.831 1.483
73 HD1 TYR 8 HD1 TYR 8 -16.698 -6.359 4.842
74 HD2 TYR 8 HD2 TYR 8 -16.419 -6.960 0.659
75 HE1 TYR 8 HE1 TYR 8 -15.936 -8.556 5.233
76 HE2 TYR 8 HE2 TYR 8 -15.665 -9.218 1.031
77 HH TYR 8 HH TYR 8 -14.348 -10.375 3.363
78 H TRP 9 HN TRP 9 -16.927 -2.346 1.851
79 HA TRP 9 HA TRP 9 -14.650 -2.067 0.209
80 1HB TRP 9 HB2 TRP 9 -17.129 -0.583 0.798
81 2HB TRP 9 HB1 TRP 9 -15.774 0.455 0.354
82 HD1 TRP 9 HD1 TRP 9 -18.440 -1.472 -1.143
83 HE1 TRP 9 HE1 TRP 9 -17.956 -1.713 -3.692
84 HE3 TRP 9 HE3 TRP 9 -13.708 0.006 -1.150
85 HZ2 TRP 9 HZ2 TRP 9 -15.822 -1.309 -5.446
86 HZ3 TRP 9 HZ3 TRP 9 -12.445 0.090 -3.271
87 HH2 TRP 9 HH2 TRP 9 -13.516 -0.572 -5.380
88 H LYS 10 HN LYS 10 -15.951 -0.037 2.635
89 HA LYS 10 HA LYS 10 -13.933 1.725 3.172
90 1HB LYS 10 HB2 LYS 10 -15.773 2.275 4.404
91 2HB LYS 10 HB1 LYS 10 -16.205 0.604 4.676
92 1HG LYS 10 HG2 LYS 10 -15.605 2.042 6.695
93 2HG LYS 10 HG1 LYS 10 -14.896 0.432 6.581
94 1HD LYS 10 HD2 LYS 10 -12.829 1.242 6.489
95 2HD LYS 10 HD1 LYS 10 -13.270 2.448 5.280
96 1HE LYS 10 HE2 LYS 10 -13.511 2.651 8.276
97 2HE LYS 10 HE1 LYS 10 -12.515 3.633 7.202
98 1HZ LYS 10 HZ1 LYS 10 -14.244 5.043 7.441
99 2HZ LYS 10 HZ2 LYS 10 -15.362 3.821 7.783
100 3HZ LYS 10 HZ3 LYS 10 -14.904 4.123 6.183
101 H GLN 11 HN GLN 11 -14.399 -1.398 4.820
102 HA GLN 11 HA GLN 11 -11.913 -1.153 6.221
103 1HB GLN 11 HB2 GLN 11 -12.396 -3.277 7.154
104 2HB GLN 11 HB1 GLN 11 -13.941 -2.462 7.010
105 1HG GLN 11 HG2 GLN 11 -14.463 -3.725 5.023
106 2HG GLN 11 HG1 GLN 11 -12.874 -4.470 5.047
107 1HE2 GLN 11 HE21 GLN 11 -13.564 -4.368 8.236
108 2HE2 GLN 11 HE22 GLN 11 -14.390 -5.873 8.407
109 H TRP 12 HN TRP 12 -12.362 -1.550 3.117
110 HA TRP 12 HA TRP 12 -10.063 -3.358 2.750
111 1HB TRP 12 HB2 TRP 12 -12.308 -3.915 1.664
112 2HB TRP 12 HB1 TRP 12 -12.042 -2.574 0.618
113 HD1 TRP 12 HD1 TRP 12 -11.203 -6.096 1.027
114 HE1 TRP 12 HE1 TRP 12 -9.473 -6.781 -0.733
115 HE3 TRP 12 HE3 TRP 12 -10.106 -1.555 -0.577
116 HZ2 TRP 12 HZ2 TRP 12 -7.838 -5.482 -2.637
117 HZ3 TRP 12 HZ3 TRP 12 -8.440 -1.234 -2.410
118 HH2 TRP 12 HH2 TRP 12 -7.317 -3.212 -3.423
119 H LEU 13 HN LEU 13 -11.440 -0.192 1.873
120 HA LEU 13 HA LEU 13 -8.929 0.452 0.523
121 1HB LEU 13 HB2 LEU 13 -11.133 0.974 -0.565
122 2HB LEU 13 HB1 LEU 13 -11.444 2.116 0.728
123 HG LEU 13 HG LEU 13 -9.020 2.989 -0.144
124 1HD1 LEU 13 HD11 LEU 13 -8.908 1.421 -1.976
125 2HD1 LEU 13 HD12 LEU 13 -9.133 3.054 -2.605
126 3HD1 LEU 13 HD13 LEU 13 -10.495 1.934 -2.551
127 1HD2 LEU 13 HD21 LEU 13 -11.341 4.014 -1.652
128 2HD2 LEU 13 HD22 LEU 13 -10.152 4.872 -0.672
129 3HD2 LEU 13 HD23 LEU 13 -11.485 4.018 0.106
130 H SER 14 HN SER 14 -10.351 0.702 3.560
131 HA SER 14 HA SER 14 -9.064 3.200 4.228
132 1HB SER 14 HB2 SER 14 -11.250 1.910 5.294
133 2HB SER 14 HB1 SER 14 -9.996 1.541 6.465
134 HG SER 14 HG SER 14 -10.330 3.474 7.192
135 H LEU 15 HN LEU 15 -8.724 -0.215 4.962
136 HA LEU 15 HA LEU 15 -6.289 0.202 6.404
137 1HB LEU 15 HB2 LEU 15 -7.575 -2.363 5.494
138 2HB LEU 15 HB1 LEU 15 -6.330 -2.181 6.711
139 HG LEU 15 HG LEU 15 -8.211 -2.440 8.018
140 1HD1 LEU 15 HD11 LEU 15 -8.797 -0.284 8.959
141 2HD1 LEU 15 HD12 LEU 15 -8.175 0.532 7.522
142 3HD1 LEU 15 HD13 LEU 15 -7.069 -0.325 8.600
143 1HD2 LEU 15 HD21 LEU 15 -10.177 -2.449 7.010
144 2HD2 LEU 15 HD22 LEU 15 -9.471 -1.618 5.614
145 3HD2 LEU 15 HD23 LEU 15 -10.144 -0.684 6.958
146 H ARG 16 HN ARG 16 -7.170 -1.640 3.521
147 HA ARG 16 HA ARG 16 -4.655 -2.327 2.668
148 1HB ARG 16 HB2 ARG 16 -7.131 -1.664 1.164
149 2HB ARG 16 HB1 ARG 16 -5.665 -1.993 0.279
150 1HG ARG 16 HG2 ARG 16 -7.158 -3.833 2.126
151 2HG ARG 16 HG1 ARG 16 -6.914 -4.008 0.387
152 1HD ARG 16 HD2 ARG 16 -4.427 -4.107 0.903
153 2HD ARG 16 HD1 ARG 16 -4.893 -4.294 2.594
154 HE ARG 16 HE ARG 16 -6.314 -6.227 1.357
155 1HH1 ARG 16 1HH1 ARG 16 -2.932 -5.368 1.304
156 2HH1 ARG 16 2HH1 ARG 16 -2.396 -6.990 1.020
157 1HH2 ARG 16 1HH2 ARG 16 -5.611 -8.361 0.983
158 2HH2 ARG 16 2HH2 ARG 16 -3.916 -8.689 0.838
159 H ASN 17 HN ASN 17 -6.171 0.738 2.513
160 HA ASN 17 HA ASN 17 -4.584 2.049 0.662
161 1HB ASN 17 HB2 ASN 17 -6.515 2.689 2.693
162 2HB ASN 17 HB1 ASN 17 -5.296 3.899 2.610
163 1HD2 ASN 17 HD21 ASN 17 -7.430 4.976 2.012
164 2HD2 ASN 17 HD22 ASN 17 -7.732 5.101 0.324
165 HA PRO 18 HA PRO 18 -1.780 3.891 4.079
166 1HB PRO 18 HB2 PRO 18 -2.057 2.689 6.565
167 2HB PRO 18 HB1 PRO 18 -2.638 4.297 6.120
168 1HG PRO 18 HG2 PRO 18 -4.089 1.702 6.137
169 2HG PRO 18 HG1 PRO 18 -4.653 3.308 6.632
170 1HD PRO 18 HD2 PRO 18 -5.382 2.313 4.296
171 2HD PRO 18 HD1 PRO 18 -4.923 4.018 4.429
172 H ILE 19 HN ILE 19 -2.794 0.639 3.976
173 HA ILE 19 HA ILE 19 -0.297 -0.484 4.870
174 HB ILE 19 HB ILE 19 -2.625 -1.759 3.446
175 1HG1 ILE 19 HG12 ILE 19 -1.717 -1.525 6.292
176 2HG1 ILE 19 HG11 ILE 19 -3.312 -1.252 5.620
177 1HG2 ILE 19 HG21 ILE 19 -0.156 -3.082 4.567
178 2HG2 ILE 19 HG22 ILE 19 -0.605 -2.981 2.865
179 3HG2 ILE 19 HG23 ILE 19 -1.589 -3.926 3.981
180 1HD1 ILE 19 HD11 ILE 19 -3.372 -3.762 5.183
181 2HD1 ILE 19 HD12 ILE 19 -3.517 -3.215 6.853
182 3HD1 ILE 19 HD13 ILE 19 -1.981 -3.852 6.264
183 H LEU 20 HN LEU 20 -1.632 0.400 1.813
184 HA LEU 20 HA LEU 20 0.333 -0.887 0.192
185 1HB LEU 20 HB2 LEU 20 -1.395 1.506 -0.469
186 2HB LEU 20 HB1 LEU 20 -0.463 0.573 -1.622
187 HG LEU 20 HG LEU 20 -3.098 0.046 -0.466
188 1HD1 LEU 20 HD11 LEU 20 -3.601 -0.580 -2.579
189 2HD1 LEU 20 HD12 LEU 20 -2.055 -1.391 -2.827
190 3HD1 LEU 20 HD13 LEU 20 -2.158 0.366 -2.941
191 1HD2 LEU 20 HD21 LEU 20 -1.850 -1.670 0.728
192 2HD2 LEU 20 HD22 LEU 20 -1.146 -2.230 -0.790
193 3HD2 LEU 20 HD23 LEU 20 -2.880 -2.389 -0.511
194 H VAL 21 HN VAL 21 -0.213 2.283 1.517
195 HA VAL 21 HA VAL 21 1.959 3.703 0.584
196 HB VAL 21 HB VAL 21 0.280 3.644 3.019
197 1HG1 VAL 21 HG11 VAL 21 1.467 5.510 3.980
198 2HG1 VAL 21 HG12 VAL 21 2.630 5.464 2.652
199 3HG1 VAL 21 HG13 VAL 21 2.523 4.108 3.776
200 1HG2 VAL 21 HG21 VAL 21 -0.598 4.619 0.988
201 2HG2 VAL 21 HG22 VAL 21 0.762 5.747 0.916
202 3HG2 VAL 21 HG23 VAL 21 -0.406 5.854 2.236
203 H PHE 22 HN PHE 22 1.435 1.882 3.524
204 HA PHE 22 HA PHE 22 3.919 2.060 4.741
205 1HB PHE 22 HB2 PHE 22 2.433 1.135 6.167
206 2HB PHE 22 HB1 PHE 22 1.478 0.476 4.864
207 HD1 PHE 22 HD1 PHE 22 1.287 -1.643 4.699
208 HD2 PHE 22 HD2 PHE 22 4.758 -0.016 6.409
209 HE1 PHE 22 HE1 PHE 22 2.099 -3.928 5.152
210 HE2 PHE 22 HE2 PHE 22 5.625 -2.262 6.873
211 HZ PHE 22 HZ PHE 22 4.291 -4.237 6.223
212 H LEU 23 HN LEU 23 2.721 0.148 2.150
213 HA LEU 23 HA LEU 23 5.021 -1.671 2.005
214 1HB LEU 23 HB2 LEU 23 2.623 -1.172 0.263
215 2HB LEU 23 HB1 LEU 23 3.978 -2.085 -0.364
216 HG LEU 23 HG LEU 23 1.886 -3.230 0.788
217 1HD1 LEU 23 HD11 LEU 23 4.731 -3.936 0.528
218 2HD1 LEU 23 HD12 LEU 23 3.295 -4.782 -0.050
219 3HD1 LEU 23 HD13 LEU 23 3.796 -4.943 1.634
220 1HD2 LEU 23 HD21 LEU 23 2.870 -1.835 2.880
221 2HD2 LEU 23 HD22 LEU 23 3.632 -3.412 3.119
222 3HD2 LEU 23 HD23 LEU 23 1.874 -3.288 3.016
223 H LYS 24 HN LYS 24 3.897 1.205 0.640
224 HA LYS 24 HA LYS 24 5.684 1.450 -1.518
225 1HB LYS 24 HB2 LYS 24 3.488 2.820 -0.340
226 2HB LYS 24 HB1 LYS 24 4.723 3.979 -0.696
227 1HG LYS 24 HG2 LYS 24 3.977 3.970 -2.789
228 2HG LYS 24 HG1 LYS 24 4.568 2.310 -2.909
229 1HD LYS 24 HD2 LYS 24 2.421 1.819 -3.352
230 2HD LYS 24 HD1 LYS 24 2.257 1.908 -1.594
231 1HE LYS 24 HE2 LYS 24 2.016 4.544 -2.515
232 2HE LYS 24 HE1 LYS 24 1.073 3.565 -3.638
233 1HZ LYS 24 HZ1 LYS 24 0.610 4.126 -0.827
234 2HZ LYS 24 HZ2 LYS 24 0.287 2.540 -1.317
235 3HZ LYS 24 HZ3 LYS 24 -0.499 3.834 -2.071
236 H THR 25 HN THR 25 5.572 2.722 1.711
237 HA THR 25 HA THR 25 7.931 4.254 1.541
238 HB THR 25 HB THR 25 6.338 4.892 3.182
239 HG1 THR 25 HG1 THR 25 7.666 5.112 4.834
240 1HG2 THR 25 HG21 THR 25 5.260 3.569 4.684
241 2HG2 THR 25 HG22 THR 25 6.571 2.391 4.755
242 3HG2 THR 25 HG23 THR 25 5.482 2.417 3.364
243 H ARG 26 HN ARG 26 7.135 1.045 2.859
244 HA ARG 26 HA ARG 26 9.665 0.447 3.919
245 1HB ARG 26 HB2 ARG 26 7.483 -1.238 2.726
246 2HB ARG 26 HB1 ARG 26 8.934 -1.959 3.413
247 1HG ARG 26 HG2 ARG 26 6.736 -0.471 4.796
248 2HG ARG 26 HG1 ARG 26 7.370 -2.072 5.133
249 1HD ARG 26 HD2 ARG 26 8.862 0.509 5.556
250 2HD ARG 26 HD1 ARG 26 8.012 -0.378 6.817
251 HE ARG 26 HE ARG 26 10.531 -1.104 5.562
252 1HH1 ARG 26 1HH1 ARG 26 7.906 -2.060 7.663
253 2HH1 ARG 26 2HH1 ARG 26 8.822 -3.306 8.441
254 1HH2 ARG 26 1HH2 ARG 26 11.729 -2.746 6.587
255 2HH2 ARG 26 2HH2 ARG 26 10.988 -3.696 7.832
256 H VAL 27 HN VAL 27 8.308 0.128 0.738
257 HA VAL 27 HA VAL 27 10.518 -1.144 -0.533
258 HB VAL 27 HB VAL 27 7.905 0.024 -1.253
259 1HG1 VAL 27 HG11 VAL 27 10.152 -0.201 -3.211
260 2HG1 VAL 27 HG12 VAL 27 9.116 1.182 -2.864
261 3HG1 VAL 27 HG13 VAL 27 8.456 -0.227 -3.693
262 1HG2 VAL 27 HG21 VAL 27 7.683 -2.104 -2.473
263 2HG2 VAL 27 HG22 VAL 27 8.106 -2.336 -0.776
264 3HG2 VAL 27 HG23 VAL 27 9.340 -2.511 -2.025
265 H LEU 28 HN LEU 28 9.669 2.050 0.330
266 HA LEU 28 HA LEU 28 11.215 3.452 -1.590
267 1HB LEU 28 HB2 LEU 28 9.975 5.188 -0.903
268 2HB LEU 28 HB1 LEU 28 9.038 4.013 -0.055
269 HG LEU 28 HG LEU 28 10.291 4.446 1.984
270 1HD1 LEU 28 HD11 LEU 28 11.549 6.870 1.564
271 2HD1 LEU 28 HD12 LEU 28 12.029 5.893 0.176
272 3HD1 LEU 28 HD13 LEU 28 12.326 5.308 1.812
273 1HD2 LEU 28 HD21 LEU 28 8.847 6.059 2.510
274 2HD2 LEU 28 HD22 LEU 28 8.367 6.044 0.814
275 3HD2 LEU 28 HD23 LEU 28 9.581 7.193 1.376
276 H LYS 29 HN LYS 29 11.278 2.813 1.813
277 HA LYS 29 HA LYS 29 13.809 3.970 2.300
278 1HB LYS 29 HB2 LYS 29 13.657 3.114 4.519
279 2HB LYS 29 HB1 LYS 29 12.038 3.613 4.058
280 1HG LYS 29 HG2 LYS 29 11.415 1.312 3.634
281 2HG LYS 29 HG1 LYS 29 13.060 0.780 3.993
282 1HD LYS 29 HD2 LYS 29 12.281 2.302 6.202
283 2HD LYS 29 HD1 LYS 29 10.868 1.328 5.791
284 1HE LYS 29 HE2 LYS 29 12.467 -0.653 5.696
285 2HE LYS 29 HE1 LYS 29 13.642 0.399 6.482
286 1HZ LYS 29 HZ1 LYS 29 12.165 -1.104 7.924
287 2HZ LYS 29 HZ2 LYS 29 10.954 0.042 7.637
288 3HZ LYS 29 HZ3 LYS 29 12.389 0.504 8.404
289 H ARG 30 HN ARG 30 12.677 1.029 1.129
290 HA ARG 30 HA ARG 30 15.082 -0.458 1.537
291 1HB ARG 30 HB2 ARG 30 12.433 -0.865 0.285
292 2HB ARG 30 HB1 ARG 30 13.721 -1.929 -0.204
293 1HG ARG 30 HG2 ARG 30 13.598 -1.629 2.655
294 2HG ARG 30 HG1 ARG 30 12.057 -2.156 1.993
295 1HD ARG 30 HD2 ARG 30 12.936 -4.221 2.090
296 2HD ARG 30 HD1 ARG 30 13.818 -3.746 0.639
297 HE ARG 30 HE ARG 30 15.433 -2.892 2.619
298 1HH1 ARG 30 1HH1 ARG 30 13.890 -5.961 1.998
299 2HH1 ARG 30 2HH1 ARG 30 15.138 -6.884 2.764
300 1HH2 ARG 30 1HH2 ARG 30 17.074 -4.104 3.627
301 2HH2 ARG 30 2HH2 ARG 30 16.945 -5.831 3.690
302 H TRP 31 HN TRP 31 13.511 1.517 -0.792
303 HA TRP 31 HA TRP 31 15.080 0.998 -3.045
304 1HB TRP 31 HB2 TRP 31 12.784 2.425 -2.317
305 2HB TRP 31 HB1 TRP 31 13.880 3.567 -2.985
306 HD1 TRP 31 HD1 TRP 31 11.799 0.721 -3.870
307 HE1 TRP 31 HE1 TRP 31 11.858 0.378 -6.415
308 HE3 TRP 31 HE3 TRP 31 15.413 3.839 -4.734
309 HZ2 TRP 31 HZ2 TRP 31 13.382 1.419 -8.568
310 HZ3 TRP 31 HZ3 TRP 31 16.256 4.230 -7.072
311 HH2 TRP 31 HH2 TRP 31 15.241 3.017 -8.959
312 H ARG 32 HN ARG 32 14.946 3.349 -0.357
313 HA ARG 32 HA ARG 32 17.073 5.024 -1.148
314 1HB ARG 32 HB2 ARG 32 16.032 4.080 1.484
315 2HB ARG 32 HB1 ARG 32 17.169 5.424 1.326
316 1HG ARG 32 HG2 ARG 32 15.526 6.635 -0.006
317 2HG ARG 32 HG1 ARG 32 14.402 5.302 0.151
318 1HD ARG 32 HD2 ARG 32 14.005 5.693 2.353
319 2HD ARG 32 HD1 ARG 32 15.545 6.502 2.608
320 HE ARG 32 HE ARG 32 13.734 7.926 0.878
321 1HH1 ARG 32 1HH1 ARG 32 14.736 7.403 4.181
322 2HH1 ARG 32 2HH1 ARG 32 14.145 8.934 4.733
323 1HH2 ARG 32 1HH2 ARG 32 12.959 9.940 1.603
324 2HH2 ARG 32 2HH2 ARG 32 13.136 10.375 3.270
325 H LEU 33 HN LEU 33 16.829 2.202 0.836
326 HA LEU 33 HA LEU 33 19.445 1.777 1.627
327 1HB LEU 33 HB2 LEU 33 16.885 0.315 1.331
328 2HB LEU 33 HB1 LEU 33 18.286 -0.582 1.750
329 HG LEU 33 HG LEU 33 16.560 0.681 3.432
330 1HD1 LEU 33 HD11 LEU 33 19.244 0.256 4.548
331 2HD1 LEU 33 HD12 LEU 33 18.565 -1.121 3.680
332 3HD1 LEU 33 HD13 LEU 33 17.692 -0.421 5.044
333 1HD2 LEU 33 HD21 LEU 33 17.585 2.543 4.411
334 2HD2 LEU 33 HD22 LEU 33 17.691 2.790 2.665
335 3HD2 LEU 33 HD23 LEU 33 19.104 2.240 3.564
336 H PHE 34 HN PHE 34 17.502 0.728 -0.982
337 HA PHE 34 HA PHE 34 19.402 -1.089 -2.107
338 1HB PHE 34 HB2 PHE 34 16.714 -0.217 -2.644
339 2HB PHE 34 HB1 PHE 34 17.615 -0.560 -4.091
340 HD1 PHE 34 HD1 PHE 34 16.646 -2.576 -4.774
341 HD2 PHE 34 HD2 PHE 34 18.015 -2.002 -0.816
342 HE1 PHE 34 HE1 PHE 34 16.372 -4.968 -4.353
343 HE2 PHE 34 HE2 PHE 34 17.754 -4.392 -0.364
344 HZ PHE 34 HZ PHE 34 16.921 -5.909 -2.133
345 H SER 35 HN SER 35 18.735 2.158 -2.131
346 HA SER 35 HA SER 35 20.313 2.650 -4.596
347 1HB SER 35 HB2 SER 35 18.133 4.047 -3.529
348 2HB SER 35 HB1 SER 35 19.524 5.090 -3.250
349 HG SER 35 HG SER 35 20.023 4.784 -5.505
350 H LYS 36 HN LYS 36 20.513 2.991 -1.124
351 HA LYS 36 HA LYS 36 22.880 4.612 -1.207
352 1HB LYS 36 HB2 LYS 36 22.713 4.743 1.067
353 2HB LYS 36 HB1 LYS 36 21.060 4.303 0.680
354 1HG LYS 36 HG2 LYS 36 21.392 2.064 1.358
355 2HG LYS 36 HG1 LYS 36 23.142 2.272 1.436
356 1HD LYS 36 HD2 LYS 36 22.031 2.267 3.662
357 2HD LYS 36 HD1 LYS 36 22.947 3.737 3.326
358 1HE LYS 36 HE2 LYS 36 20.063 3.699 2.612
359 2HE LYS 36 HE1 LYS 36 20.486 3.799 4.321
360 1HZ LYS 36 HZ1 LYS 36 22.102 5.648 3.322
361 2HZ LYS 36 HZ2 LYS 36 20.533 5.989 3.851
362 3HZ LYS 36 HZ3 LYS 36 20.838 5.760 2.203
363 H HIS 37 HN HIS 37 22.187 1.285 -1.327
364 HA HIS 37 HA HIS 37 24.740 0.330 -0.495
365 1HB HIS 37 HB2 HIS 37 23.459 -1.470 -0.292
366 2HB HIS 37 HB1 HIS 37 22.163 -0.763 -1.190
367 HD1 HIS 37 HD1 HIS 37 24.877 -3.264 -1.449
368 HD2 HIS 37 HD2 HIS 37 22.120 -1.389 -3.920
369 HE1 HIS 37 HE1 HIS 37 24.833 -4.637 -3.558
370 HE2 HIS 37 HE2 HIS 37 23.072 -3.549 -4.999
371 H GLU 38 HN GLU 38 23.062 0.321 -3.590
372 HA GLU 38 HA GLU 38 23.811 0.120 -5.741
373 1HB GLU 38 HB2 GLU 38 25.566 1.860 -6.323
374 2HB GLU 38 HB1 GLU 38 24.092 2.455 -5.573
375 1HG GLU 38 HG2 GLU 38 25.215 2.660 -3.445
376 2HG GLU 38 HG1 GLU 38 26.682 1.957 -4.123
Start of MODEL 2
1 1H VAL 1 HT1 VAL 1 -29.865 3.178 0.127
2 2H VAL 1 HT2 VAL 1 -28.165 3.329 -0.057
3 3H VAL 1 HT3 VAL 1 -28.867 3.344 1.509
4 HA VAL 1 HA VAL 1 -29.775 1.048 0.465
5 HB VAL 1 HB VAL 1 -27.765 -0.121 -0.352
6 1HG1 VAL 1 HG11 VAL 1 -29.135 0.445 -2.114
7 2HG1 VAL 1 HG12 VAL 1 -27.626 1.228 -2.585
8 3HG1 VAL 1 HG13 VAL 1 -28.925 2.178 -1.861
9 1HG2 VAL 1 HG21 VAL 1 -26.462 2.544 -0.780
10 2HG2 VAL 1 HG22 VAL 1 -25.745 0.935 -0.842
11 3HG2 VAL 1 HG23 VAL 1 -26.210 1.634 0.710
12 H MET 2 HN MET 2 -28.472 -0.880 1.475
13 HA MET 2 HA MET 2 -28.175 -0.290 4.234
14 1HB MET 2 HB2 MET 2 -28.235 -2.669 2.490
15 2HB MET 2 HB1 MET 2 -27.326 -2.838 3.971
16 1HG MET 2 HG2 MET 2 -29.286 -2.166 5.261
17 2HG MET 2 HG1 MET 2 -30.193 -1.985 3.760
18 1HE MET 2 HE1 MET 2 -32.194 -3.822 4.351
19 2HE MET 2 HE2 MET 2 -31.813 -5.218 3.342
20 3HE MET 2 HE3 MET 2 -31.505 -3.589 2.743
21 HA PRO 3 HA PRO 3 -23.732 -0.038 4.355
22 1HB PRO 3 HB2 PRO 3 -23.254 -0.479 6.900
23 2HB PRO 3 HB1 PRO 3 -24.490 0.710 6.494
24 1HG PRO 3 HG2 PRO 3 -24.844 -2.180 7.205
25 2HG PRO 3 HG1 PRO 3 -25.632 -0.764 7.941
26 1HD PRO 3 HD2 PRO 3 -26.755 -2.257 5.910
27 2HD PRO 3 HD1 PRO 3 -27.130 -0.546 6.202
28 H LYS 4 HN LYS 4 -22.072 -1.732 6.084
29 HA LYS 4 HA LYS 4 -20.947 -3.696 6.126
30 1HB LYS 4 HB2 LYS 4 -23.325 -4.599 6.373
31 2HB LYS 4 HB1 LYS 4 -23.238 -4.976 4.658
32 1HG LYS 4 HG2 LYS 4 -22.515 -6.963 5.437
33 2HG LYS 4 HG1 LYS 4 -20.961 -6.125 5.468
34 1HD LYS 4 HD2 LYS 4 -22.689 -5.870 7.863
35 2HD LYS 4 HD1 LYS 4 -21.929 -7.437 7.579
36 1HE LYS 4 HE2 LYS 4 -20.071 -6.637 8.494
37 2HE LYS 4 HE1 LYS 4 -19.929 -5.529 7.131
38 1HZ LYS 4 HZ1 LYS 4 -21.203 -5.019 9.756
39 2HZ LYS 4 HZ2 LYS 4 -21.425 -4.003 8.422
40 3HZ LYS 4 HZ3 LYS 4 -19.877 -4.220 9.070
41 H GLN 5 HN GLN 5 -22.309 -2.589 3.101
42 HA GLN 5 HA GLN 5 -20.312 -4.084 1.614
43 1HB GLN 5 HB2 GLN 5 -21.937 -4.144 0.053
44 2HB GLN 5 HB1 GLN 5 -22.946 -3.160 1.093
45 1HG GLN 5 HG2 GLN 5 -22.918 -1.934 -0.812
46 2HG GLN 5 HG1 GLN 5 -21.625 -1.172 0.076
47 1HE2 GLN 5 HE21 GLN 5 -19.741 -3.263 -0.467
48 2HE2 GLN 5 HE22 GLN 5 -19.381 -3.156 -2.132
49 H ILE 6 HN ILE 6 -21.050 -0.953 2.777
50 HA ILE 6 HA ILE 6 -18.996 0.334 1.238
51 HB ILE 6 HB ILE 6 -19.613 2.277 2.836
52 1HG1 ILE 6 HG12 ILE 6 -21.912 2.287 3.599
53 2HG1 ILE 6 HG11 ILE 6 -22.156 0.653 3.039
54 1HG2 ILE 6 HG21 ILE 6 -21.490 1.309 0.713
55 2HG2 ILE 6 HG22 ILE 6 -19.976 2.177 0.442
56 3HG2 ILE 6 HG23 ILE 6 -21.319 2.977 1.265
57 1HD1 ILE 6 HD11 ILE 6 -21.148 -0.233 4.855
58 2HD1 ILE 6 HD12 ILE 6 -21.563 1.323 5.569
59 3HD1 ILE 6 HD13 ILE 6 -19.939 1.051 4.935
60 H VAL 7 HN VAL 7 -19.558 -1.122 4.316
61 HA VAL 7 HA VAL 7 -17.324 0.000 5.699
62 HB VAL 7 HB VAL 7 -19.557 -1.125 6.602
63 1HG1 VAL 7 HG11 VAL 7 -19.088 -3.327 5.609
64 2HG1 VAL 7 HG12 VAL 7 -19.247 -3.398 7.363
65 3HG1 VAL 7 HG13 VAL 7 -17.649 -3.458 6.619
66 1HG2 VAL 7 HG21 VAL 7 -18.547 -1.277 8.722
67 2HG2 VAL 7 HG22 VAL 7 -17.701 -0.012 7.833
68 3HG2 VAL 7 HG23 VAL 7 -16.965 -1.602 8.016
69 H TYR 8 HN TYR 8 -18.178 -2.865 3.943
70 HA TYR 8 HA TYR 8 -15.850 -4.433 4.231
71 1HB TYR 8 HB2 TYR 8 -18.254 -4.655 2.869
72 2HB TYR 8 HB1 TYR 8 -17.069 -4.511 1.575
73 HD1 TYR 8 HD1 TYR 8 -16.846 -6.057 4.923
74 HD2 TYR 8 HD2 TYR 8 -16.718 -6.649 0.731
75 HE1 TYR 8 HE1 TYR 8 -16.141 -8.278 5.282
76 HE2 TYR 8 HE2 TYR 8 -16.024 -8.931 1.072
77 HH TYR 8 HH TYR 8 -14.976 -10.329 2.754
78 H TRP 9 HN TRP 9 -16.975 -2.054 1.890
79 HA TRP 9 HA TRP 9 -14.724 -1.936 0.201
80 1HB TRP 9 HB2 TRP 9 -17.110 -0.319 0.801
81 2HB TRP 9 HB1 TRP 9 -15.715 0.646 0.317
82 HD1 TRP 9 HD1 TRP 9 -18.492 -1.181 -1.094
83 HE1 TRP 9 HE1 TRP 9 -18.072 -1.485 -3.650
84 HE3 TRP 9 HE3 TRP 9 -13.700 0.084 -1.222
85 HZ2 TRP 9 HZ2 TRP 9 -15.958 -1.204 -5.453
86 HZ3 TRP 9 HZ3 TRP 9 -12.480 0.079 -3.369
87 HH2 TRP 9 HH2 TRP 9 -13.622 -0.568 -5.445
88 H LYS 10 HN LYS 10 -15.849 0.235 2.603
89 HA LYS 10 HA LYS 10 -13.691 1.873 2.987
90 1HB LYS 10 HB2 LYS 10 -15.789 2.384 3.997
91 2HB LYS 10 HB1 LYS 10 -15.783 0.887 4.914
92 1HG LYS 10 HG2 LYS 10 -13.491 2.109 5.752
93 2HG LYS 10 HG1 LYS 10 -14.596 3.463 5.525
94 1HD LYS 10 HD2 LYS 10 -16.111 2.648 7.094
95 2HD LYS 10 HD1 LYS 10 -15.475 1.005 6.990
96 1HE LYS 10 HE2 LYS 10 -14.822 2.005 9.094
97 2HE LYS 10 HE1 LYS 10 -13.401 1.765 8.078
98 1HZ LYS 10 HZ1 LYS 10 -14.584 4.217 9.046
99 2HZ LYS 10 HZ2 LYS 10 -14.137 4.257 7.415
100 3HZ LYS 10 HZ3 LYS 10 -12.986 3.888 8.599
101 H GLN 11 HN GLN 11 -14.388 -1.137 4.773
102 HA GLN 11 HA GLN 11 -11.916 -0.973 6.209
103 1HB GLN 11 HB2 GLN 11 -12.520 -3.025 7.212
104 2HB GLN 11 HB1 GLN 11 -14.029 -2.163 6.992
105 1HG GLN 11 HG2 GLN 11 -14.567 -3.495 5.069
106 2HG GLN 11 HG1 GLN 11 -12.992 -4.264 5.113
107 1HE2 GLN 11 HE21 GLN 11 -13.673 -4.069 8.300
108 2HE2 GLN 11 HE22 GLN 11 -14.527 -5.552 8.509
109 H TRP 12 HN TRP 12 -12.366 -1.429 3.118
110 HA TRP 12 HA TRP 12 -10.170 -3.373 2.784
111 1HB TRP 12 HB2 TRP 12 -12.445 -3.818 1.716
112 2HB TRP 12 HB1 TRP 12 -12.131 -2.491 0.667
113 HD1 TRP 12 HD1 TRP 12 -11.469 -6.049 1.068
114 HE1 TRP 12 HE1 TRP 12 -9.834 -6.827 -0.741
115 HE3 TRP 12 HE3 TRP 12 -10.182 -1.579 -0.589
116 HZ2 TRP 12 HZ2 TRP 12 -8.194 -5.624 -2.702
117 HZ3 TRP 12 HZ3 TRP 12 -8.562 -1.350 -2.477
118 HH2 TRP 12 HH2 TRP 12 -7.579 -3.388 -3.515
119 H LEU 13 HN LEU 13 -11.365 -0.161 1.808
120 HA LEU 13 HA LEU 13 -8.761 0.288 0.537
121 1HB LEU 13 HB2 LEU 13 -10.748 0.851 -0.794
122 2HB LEU 13 HB1 LEU 13 -11.296 1.946 0.462
123 HG LEU 13 HG LEU 13 -8.632 2.669 -0.325
124 1HD1 LEU 13 HD11 LEU 13 -9.780 1.470 -2.438
125 2HD1 LEU 13 HD12 LEU 13 -8.662 2.826 -2.572
126 3HD1 LEU 13 HD13 LEU 13 -10.402 3.107 -2.637
127 1HD2 LEU 13 HD21 LEU 13 -9.482 4.758 -0.196
128 2HD2 LEU 13 HD22 LEU 13 -10.804 3.926 0.623
129 3HD2 LEU 13 HD23 LEU 13 -10.945 4.336 -1.087
130 H SER 14 HN SER 14 -10.190 0.656 3.517
131 HA SER 14 HA SER 14 -8.892 3.187 4.102
132 1HB SER 14 HB2 SER 14 -11.152 2.022 5.162
133 2HB SER 14 HB1 SER 14 -9.942 1.658 6.382
134 HG SER 14 HG SER 14 -11.171 3.775 6.441
135 H LEU 15 HN LEU 15 -8.692 -0.212 4.924
136 HA LEU 15 HA LEU 15 -6.277 0.154 6.421
137 1HB LEU 15 HB2 LEU 15 -7.684 -2.378 5.589
138 2HB LEU 15 HB1 LEU 15 -6.446 -2.214 6.818
139 HG LEU 15 HG LEU 15 -8.352 -2.310 8.106
140 1HD1 LEU 15 HD11 LEU 15 -8.176 0.630 7.470
141 2HD1 LEU 15 HD12 LEU 15 -7.113 -0.219 8.597
142 3HD1 LEU 15 HD13 LEU 15 -8.839 -0.090 8.940
143 1HD2 LEU 15 HD21 LEU 15 -10.182 -0.520 6.933
144 2HD2 LEU 15 HD22 LEU 15 -10.297 -2.277 7.059
145 3HD2 LEU 15 HD23 LEU 15 -9.529 -1.539 5.643
146 H ARG 16 HN ARG 16 -7.176 -1.821 3.627
147 HA ARG 16 HA ARG 16 -4.652 -2.592 2.879
148 1HB ARG 16 HB2 ARG 16 -7.164 -2.126 1.387
149 2HB ARG 16 HB1 ARG 16 -5.712 -2.469 0.474
150 1HG ARG 16 HG2 ARG 16 -5.779 -4.631 1.011
151 2HG ARG 16 HG1 ARG 16 -6.051 -4.261 2.715
152 1HD ARG 16 HD2 ARG 16 -8.319 -4.352 2.522
153 2HD ARG 16 HD1 ARG 16 -8.299 -3.854 0.838
154 HE ARG 16 HE ARG 16 -7.859 -6.078 0.201
155 1HH1 ARG 16 1HH1 ARG 16 -8.251 -5.745 3.661
156 2HH1 ARG 16 2HH1 ARG 16 -8.532 -7.434 3.911
157 1HH2 ARG 16 1HH2 ARG 16 -8.227 -8.296 0.541
158 2HH2 ARG 16 2HH2 ARG 16 -8.518 -8.879 2.145
159 H ASN 17 HN ASN 17 -6.094 0.471 2.524
160 HA ASN 17 HA ASN 17 -4.477 1.574 0.530
161 1HB ASN 17 HB2 ASN 17 -6.428 2.431 2.451
162 2HB ASN 17 HB1 ASN 17 -5.175 3.601 2.307
163 1HD2 ASN 17 HD21 ASN 17 -7.177 4.751 1.549
164 2HD2 ASN 17 HD22 ASN 17 -7.471 4.715 -0.145
165 HA PRO 18 HA PRO 18 -1.773 3.649 3.930
166 1HB PRO 18 HB2 PRO 18 -2.115 2.499 6.442
167 2HB PRO 18 HB1 PRO 18 -2.659 4.104 5.949
168 1HG PRO 18 HG2 PRO 18 -4.151 1.538 6.012
169 2HG PRO 18 HG1 PRO 18 -4.707 3.173 6.410
170 1HD PRO 18 HD2 PRO 18 -5.370 2.061 4.099
171 2HD PRO 18 HD1 PRO 18 -4.917 3.771 4.170
172 H ILE 19 HN ILE 19 -2.769 0.384 3.952
173 HA ILE 19 HA ILE 19 -0.271 -0.694 4.894
174 HB ILE 19 HB ILE 19 -2.535 -2.064 3.449
175 1HG1 ILE 19 HG12 ILE 19 -1.790 -1.768 6.353
176 2HG1 ILE 19 HG11 ILE 19 -3.274 -1.264 5.574
177 1HG2 ILE 19 HG21 ILE 19 0.088 -2.999 3.864
178 2HG2 ILE 19 HG22 ILE 19 -1.312 -3.916 3.311
179 3HG2 ILE 19 HG23 ILE 19 -0.933 -3.836 5.030
180 1HD1 ILE 19 HD11 ILE 19 -2.391 -4.039 6.266
181 2HD1 ILE 19 HD12 ILE 19 -3.699 -3.726 5.124
182 3HD1 ILE 19 HD13 ILE 19 -3.836 -3.175 6.794
183 H LEU 20 HN LEU 20 -1.607 0.041 1.796
184 HA LEU 20 HA LEU 20 0.389 -1.281 0.241
185 1HB LEU 20 HB2 LEU 20 -1.379 1.044 -0.538
186 2HB LEU 20 HB1 LEU 20 -0.428 0.072 -1.642
187 HG LEU 20 HG LEU 20 -3.058 -0.440 -0.474
188 1HD1 LEU 20 HD11 LEU 20 -1.778 -1.807 -2.811
189 2HD1 LEU 20 HD12 LEU 20 -2.358 -0.144 -2.919
190 3HD1 LEU 20 HD13 LEU 20 -3.482 -1.447 -2.530
191 1HD2 LEU 20 HD21 LEU 20 -1.814 -2.076 0.819
192 2HD2 LEU 20 HD22 LEU 20 -1.057 -2.689 -0.653
193 3HD2 LEU 20 HD23 LEU 20 -2.794 -2.878 -0.410
194 H VAL 21 HN VAL 21 -0.222 1.934 1.418
195 HA VAL 21 HA VAL 21 1.929 3.344 0.417
196 HB VAL 21 HB VAL 21 0.241 3.383 2.841
197 1HG1 VAL 21 HG11 VAL 21 2.475 3.935 3.575
198 2HG1 VAL 21 HG12 VAL 21 1.381 5.320 3.709
199 3HG1 VAL 21 HG13 VAL 21 2.549 5.235 2.386
200 1HG2 VAL 21 HG21 VAL 21 0.685 5.375 0.627
201 2HG2 VAL 21 HG22 VAL 21 -0.488 5.535 1.937
202 3HG2 VAL 21 HG23 VAL 21 -0.651 4.227 0.758
203 H PHE 22 HN PHE 22 1.415 1.665 3.446
204 HA PHE 22 HA PHE 22 3.879 1.957 4.675
205 1HB PHE 22 HB2 PHE 22 2.402 1.060 6.129
206 2HB PHE 22 HB1 PHE 22 1.480 0.314 4.849
207 HD1 PHE 22 HD1 PHE 22 4.753 -0.013 6.451
208 HD2 PHE 22 HD2 PHE 22 1.353 -1.811 4.776
209 HE1 PHE 22 HE1 PHE 22 5.683 -2.212 7.016
210 HE2 PHE 22 HE2 PHE 22 2.224 -4.052 5.336
211 HZ PHE 22 HZ PHE 22 4.412 -4.250 6.441
212 H LEU 23 HN LEU 23 2.758 -0.103 2.161
213 HA LEU 23 HA LEU 23 5.104 -1.870 2.131
214 1HB LEU 23 HB2 LEU 23 2.729 -1.503 0.324
215 2HB LEU 23 HB1 LEU 23 4.116 -2.413 -0.233
216 HG LEU 23 HG LEU 23 2.026 -3.552 0.925
217 1HD1 LEU 23 HD11 LEU 23 3.951 -5.183 1.887
218 2HD1 LEU 23 HD12 LEU 23 4.889 -4.205 0.758
219 3HD1 LEU 23 HD13 LEU 23 3.486 -5.107 0.187
220 1HD2 LEU 23 HD21 LEU 23 1.962 -3.511 3.151
221 2HD2 LEU 23 HD22 LEU 23 2.935 -2.046 2.976
222 3HD2 LEU 23 HD23 LEU 23 3.719 -3.596 3.301
223 H LYS 24 HN LYS 24 3.935 0.911 0.617
224 HA LYS 24 HA LYS 24 5.762 1.109 -1.510
225 1HB LYS 24 HB2 LYS 24 3.490 2.457 -0.457
226 2HB LYS 24 HB1 LYS 24 4.699 3.640 -0.833
227 1HG LYS 24 HG2 LYS 24 3.990 3.512 -2.935
228 2HG LYS 24 HG1 LYS 24 4.682 1.888 -2.971
229 1HD LYS 24 HD2 LYS 24 2.407 1.304 -1.758
230 2HD LYS 24 HD1 LYS 24 1.861 2.730 -2.649
231 1HE LYS 24 HE2 LYS 24 3.191 1.440 -4.601
232 2HE LYS 24 HE1 LYS 24 2.667 0.064 -3.633
233 1HZ LYS 24 HZ1 LYS 24 0.520 0.390 -4.172
234 2HZ LYS 24 HZ2 LYS 24 1.171 1.177 -5.519
235 3HZ LYS 24 HZ3 LYS 24 0.647 2.078 -4.187
236 H THR 25 HN THR 25 5.533 2.537 1.651
237 HA THR 25 HA THR 25 7.841 4.138 1.456
238 HB THR 25 HB THR 25 6.198 4.792 3.040
239 HG1 THR 25 HG1 THR 25 8.257 3.592 4.569
240 1HG2 THR 25 HG21 THR 25 5.420 2.302 3.315
241 2HG2 THR 25 HG22 THR 25 5.139 3.501 4.582
242 3HG2 THR 25 HG23 THR 25 6.484 2.368 4.723
243 H ARG 26 HN ARG 26 7.128 0.965 2.906
244 HA ARG 26 HA ARG 26 9.661 0.497 4.023
245 1HB ARG 26 HB2 ARG 26 7.550 -1.308 2.875
246 2HB ARG 26 HB1 ARG 26 9.015 -1.952 3.609
247 1HG ARG 26 HG2 ARG 26 6.757 -0.473 4.904
248 2HG ARG 26 HG1 ARG 26 7.424 -2.047 5.307
249 1HD ARG 26 HD2 ARG 26 8.773 0.616 5.693
250 2HD ARG 26 HD1 ARG 26 8.040 -0.366 6.959
251 HE ARG 26 HE ARG 26 10.110 -1.697 5.451
252 1HH1 ARG 26 1HH1 ARG 26 9.382 0.283 8.234
253 2HH1 ARG 26 2HH1 ARG 26 10.809 -0.185 9.095
254 1HH2 ARG 26 1HH2 ARG 26 11.988 -2.311 6.585
255 2HH2 ARG 26 2HH2 ARG 26 12.288 -1.655 8.160
256 H VAL 27 HN VAL 27 8.364 -0.019 0.834
257 HA VAL 27 HA VAL 27 10.702 -1.226 -0.271
258 HB VAL 27 HB VAL 27 8.028 -0.326 -1.162
259 1HG1 VAL 27 HG11 VAL 27 10.352 -0.570 -3.025
260 2HG1 VAL 27 HG12 VAL 27 9.215 0.763 -2.836
261 3HG1 VAL 27 HG13 VAL 27 8.679 -0.756 -3.551
262 1HG2 VAL 27 HG21 VAL 27 9.653 -2.814 -1.666
263 2HG2 VAL 27 HG22 VAL 27 7.983 -2.566 -2.175
264 3HG2 VAL 27 HG23 VAL 27 8.384 -2.615 -0.458
265 H LEU 28 HN LEU 28 9.593 1.956 0.305
266 HA LEU 28 HA LEU 28 11.069 3.316 -1.689
267 1HB LEU 28 HB2 LEU 28 9.799 5.055 -1.047
268 2HB LEU 28 HB1 LEU 28 8.903 3.891 -0.142
269 HG LEU 28 HG LEU 28 10.175 4.429 1.859
270 1HD1 LEU 28 HD11 LEU 28 11.362 6.870 1.318
271 2HD1 LEU 28 HD12 LEU 28 11.852 5.840 -0.026
272 3HD1 LEU 28 HD13 LEU 28 12.181 5.341 1.632
273 1HD2 LEU 28 HD21 LEU 28 9.382 7.131 1.158
274 2HD2 LEU 28 HD22 LEU 28 8.702 6.027 2.353
275 3HD2 LEU 28 HD23 LEU 28 8.189 5.928 0.668
276 H LYS 29 HN LYS 29 11.191 2.820 1.730
277 HA LYS 29 HA LYS 29 13.708 4.020 2.156
278 1HB LYS 29 HB2 LYS 29 13.578 3.179 4.399
279 2HB LYS 29 HB1 LYS 29 11.973 3.728 3.937
280 1HG LYS 29 HG2 LYS 29 11.279 1.447 3.522
281 2HG LYS 29 HG1 LYS 29 12.902 0.864 3.894
282 1HD LYS 29 HD2 LYS 29 11.523 2.530 5.931
283 2HD LYS 29 HD1 LYS 29 10.959 0.874 5.702
284 1HE LYS 29 HE2 LYS 29 12.567 0.485 7.264
285 2HE LYS 29 HE1 LYS 29 13.563 0.377 5.815
286 1HZ LYS 29 HZ1 LYS 29 13.238 3.006 7.058
287 2HZ LYS 29 HZ2 LYS 29 14.571 2.353 6.247
288 3HZ LYS 29 HZ3 LYS 29 14.239 1.887 7.837
289 H ARG 30 HN ARG 30 12.622 1.057 0.985
290 HA ARG 30 HA ARG 30 15.044 -0.395 1.504
291 1HB ARG 30 HB2 ARG 30 13.886 -2.205 0.735
292 2HB ARG 30 HB1 ARG 30 12.507 -1.197 1.019
293 1HG ARG 30 HG2 ARG 30 11.962 -1.265 -1.116
294 2HG ARG 30 HG1 ARG 30 13.548 -0.730 -1.608
295 1HD ARG 30 HD2 ARG 30 14.170 -3.236 -1.026
296 2HD ARG 30 HD1 ARG 30 12.458 -3.478 -1.368
297 HE ARG 30 HE ARG 30 13.554 -1.977 -3.452
298 1HH1 ARG 30 1HH1 ARG 30 13.805 -5.185 -2.101
299 2HH1 ARG 30 2HH1 ARG 30 14.226 -5.924 -3.610
300 1HH2 ARG 30 1HH2 ARG 30 14.107 -2.949 -5.439
301 2HH2 ARG 30 2HH2 ARG 30 14.398 -4.655 -5.504
302 H TRP 31 HN TRP 31 13.445 1.476 -0.868
303 HA TRP 31 HA TRP 31 15.095 1.120 -3.079
304 1HB TRP 31 HB2 TRP 31 12.735 2.419 -2.358
305 2HB TRP 31 HB1 TRP 31 13.787 3.645 -2.947
306 HD1 TRP 31 HD1 TRP 31 11.844 0.767 -4.010
307 HE1 TRP 31 HE1 TRP 31 11.985 0.531 -6.564
308 HE3 TRP 31 HE3 TRP 31 15.369 4.037 -4.644
309 HZ2 TRP 31 HZ2 TRP 31 13.529 1.712 -8.629
310 HZ3 TRP 31 HZ3 TRP 31 16.261 4.554 -6.941
311 HH2 TRP 31 HH2 TRP 31 15.339 3.386 -8.902
312 H ARG 32 HN ARG 32 14.852 3.449 -0.378
313 HA ARG 32 HA ARG 32 16.943 5.182 -1.114
314 1HB ARG 32 HB2 ARG 32 15.880 4.191 1.494
315 2HB ARG 32 HB1 ARG 32 16.978 5.572 1.364
316 1HG ARG 32 HG2 ARG 32 15.321 6.742 0.013
317 2HG ARG 32 HG1 ARG 32 14.237 5.371 0.134
318 1HD ARG 32 HD2 ARG 32 13.844 5.696 2.371
319 2HD ARG 32 HD1 ARG 32 15.296 6.661 2.598
320 HE ARG 32 HE ARG 32 13.699 8.094 0.869
321 1HH1 ARG 32 1HH1 ARG 32 13.434 6.868 4.126
322 2HH1 ARG 32 2HH1 ARG 32 12.381 8.138 4.652
323 1HH2 ARG 32 1HH2 ARG 32 12.315 9.767 1.560
324 2HH2 ARG 32 2HH2 ARG 32 11.746 9.784 3.196
325 H LEU 33 HN LEU 33 16.740 2.341 0.845
326 HA LEU 33 HA LEU 33 19.354 1.978 1.678
327 1HB LEU 33 HB2 LEU 33 16.830 0.458 1.344
328 2HB LEU 33 HB1 LEU 33 18.248 -0.409 1.777
329 HG LEU 33 HG LEU 33 16.474 0.813 3.441
330 1HD1 LEU 33 HD11 LEU 33 19.315 0.004 4.039
331 2HD1 LEU 33 HD12 LEU 33 17.900 -1.049 4.076
332 3HD1 LEU 33 HD13 LEU 33 18.056 0.260 5.247
333 1HD2 LEU 33 HD21 LEU 33 17.567 2.947 2.696
334 2HD2 LEU 33 HD22 LEU 33 18.985 2.423 3.604
335 3HD2 LEU 33 HD23 LEU 33 17.454 2.691 4.441
336 H PHE 34 HN PHE 34 17.476 0.889 -0.959
337 HA PHE 34 HA PHE 34 19.447 -0.871 -2.062
338 1HB PHE 34 HB2 PHE 34 16.727 -0.109 -2.616
339 2HB PHE 34 HB1 PHE 34 17.652 -0.427 -4.055
340 HD1 PHE 34 HD1 PHE 34 18.095 -1.828 -0.769
341 HD2 PHE 34 HD2 PHE 34 16.755 -2.482 -4.725
342 HE1 PHE 34 HE1 PHE 34 17.930 -4.226 -0.303
343 HE2 PHE 34 HE2 PHE 34 16.570 -4.880 -4.288
344 HZ PHE 34 HZ PHE 34 17.156 -5.784 -2.062
345 H SER 35 HN SER 35 18.663 2.348 -2.103
346 HA SER 35 HA SER 35 20.222 2.880 -4.571
347 1HB SER 35 HB2 SER 35 17.996 4.213 -3.504
348 2HB SER 35 HB1 SER 35 19.356 5.303 -3.251
349 HG SER 35 HG SER 35 19.137 5.766 -5.274
350 H LYS 36 HN LYS 36 20.410 3.234 -1.102
351 HA LYS 36 HA LYS 36 22.732 4.929 -1.213
352 1HB LYS 36 HB2 LYS 36 22.526 5.148 1.043
353 2HB LYS 36 HB1 LYS 36 20.897 4.611 0.676
354 1HG LYS 36 HG2 LYS 36 21.354 2.411 1.433
355 2HG LYS 36 HG1 LYS 36 23.087 2.734 1.528
356 1HD LYS 36 HD2 LYS 36 22.015 2.756 3.741
357 2HD LYS 36 HD1 LYS 36 22.721 4.319 3.327
358 1HE LYS 36 HE2 LYS 36 19.892 3.915 2.580
359 2HE LYS 36 HE1 LYS 36 20.236 4.024 4.305
360 1HZ LYS 36 HZ1 LYS 36 21.261 6.147 3.978
361 2HZ LYS 36 HZ2 LYS 36 19.727 6.185 3.265
362 3HZ LYS 36 HZ3 LYS 36 21.105 6.030 2.296
363 H HIS 37 HN HIS 37 22.109 1.577 -1.202
364 HA HIS 37 HA HIS 37 24.716 0.745 -0.365
365 1HB HIS 37 HB2 HIS 37 22.188 -0.498 -0.983
366 2HB HIS 37 HB1 HIS 37 23.500 -1.352 -1.772
367 HD1 HIS 37 HD1 HIS 37 24.480 -3.140 -0.373
368 HD2 HIS 37 HD2 HIS 37 22.890 -0.066 1.925
369 HE1 HIS 37 HE1 HIS 37 24.803 -3.853 2.016
370 HE2 HIS 37 HE2 HIS 37 23.921 -1.934 3.390
371 H GLU 38 HN GLU 38 23.009 0.801 -3.481
372 HA GLU 38 HA GLU 38 25.473 0.181 -4.883
373 1HB GLU 38 HB2 GLU 38 22.589 0.155 -5.516
374 2HB GLU 38 HB1 GLU 38 23.647 0.601 -6.845
375 1HG GLU 38 HG2 GLU 38 24.962 -1.505 -6.290
376 2HG GLU 38 HG1 GLU 38 23.584 -1.958 -5.289
Start of MODEL 3
1 1H VAL 1 HT1 VAL 1 -29.019 -4.815 4.666
2 2H VAL 1 HT2 VAL 1 -29.270 -5.693 6.119
3 3H VAL 1 HT3 VAL 1 -27.675 -5.371 5.573
4 HA VAL 1 HA VAL 1 -29.656 -3.550 6.718
5 HB VAL 1 HB VAL 1 -26.772 -3.424 7.380
6 1HG1 VAL 1 HG11 VAL 1 -28.674 -3.689 9.553
7 2HG1 VAL 1 HG12 VAL 1 -29.139 -2.424 8.416
8 3HG1 VAL 1 HG13 VAL 1 -27.554 -2.378 9.186
9 1HG2 VAL 1 HG21 VAL 1 -26.780 -5.745 7.433
10 2HG2 VAL 1 HG22 VAL 1 -28.462 -5.829 7.954
11 3HG2 VAL 1 HG23 VAL 1 -27.212 -5.320 9.089
12 H MET 2 HN MET 2 -28.484 -1.284 7.001
13 HA MET 2 HA MET 2 -28.232 -0.227 4.389
14 1HB MET 2 HB2 MET 2 -28.362 0.778 7.160
15 2HB MET 2 HB1 MET 2 -27.522 1.799 6.019
16 1HG MET 2 HG2 MET 2 -30.165 0.724 5.244
17 2HG MET 2 HG1 MET 2 -30.108 2.014 6.444
18 1HE MET 2 HE1 MET 2 -27.854 2.680 2.496
19 2HE MET 2 HE2 MET 2 -28.521 1.091 2.870
20 3HE MET 2 HE3 MET 2 -27.275 1.788 3.905
21 HA PRO 3 HA PRO 3 -23.652 0.372 5.517
22 1HB PRO 3 HB2 PRO 3 -22.734 0.012 7.960
23 2HB PRO 3 HB1 PRO 3 -23.936 1.274 7.705
24 1HG PRO 3 HG2 PRO 3 -24.363 -1.537 8.655
25 2HG PRO 3 HG1 PRO 3 -24.891 -0.024 9.428
26 1HD PRO 3 HD2 PRO 3 -26.486 -1.509 7.748
27 2HD PRO 3 HD1 PRO 3 -26.657 0.245 7.969
28 H LYS 4 HN LYS 4 -21.822 -1.383 7.057
29 HA LYS 4 HA LYS 4 -20.879 -3.439 7.068
30 1HB LYS 4 HB2 LYS 4 -23.247 -4.189 7.559
31 2HB LYS 4 HB1 LYS 4 -23.411 -4.515 5.841
32 1HG LYS 4 HG2 LYS 4 -21.020 -5.750 6.758
33 2HG LYS 4 HG1 LYS 4 -22.334 -6.183 7.854
34 1HD LYS 4 HD2 LYS 4 -22.338 -7.830 6.160
35 2HD LYS 4 HD1 LYS 4 -23.685 -6.752 5.785
36 1HE LYS 4 HE2 LYS 4 -22.284 -5.580 4.152
37 2HE LYS 4 HE1 LYS 4 -20.946 -6.666 4.524
38 1HZ LYS 4 HZ1 LYS 4 -21.767 -7.815 2.797
39 2HZ LYS 4 HZ2 LYS 4 -23.308 -7.126 2.910
40 3HZ LYS 4 HZ3 LYS 4 -22.878 -8.409 3.926
41 H GLN 5 HN GLN 5 -22.475 -2.315 4.154
42 HA GLN 5 HA GLN 5 -20.660 -3.898 2.530
43 1HB GLN 5 HB2 GLN 5 -22.413 -3.927 1.110
44 2HB GLN 5 HB1 GLN 5 -23.298 -2.898 2.218
45 1HG GLN 5 HG2 GLN 5 -23.400 -1.691 0.307
46 2HG GLN 5 HG1 GLN 5 -22.004 -0.966 1.059
47 1HE2 GLN 5 HE21 GLN 5 -20.249 -3.123 0.376
48 2HE2 GLN 5 HE22 GLN 5 -20.045 -3.053 -1.317
49 H ILE 6 HN ILE 6 -21.195 -0.732 3.698
50 HA ILE 6 HA ILE 6 -19.247 0.475 1.971
51 HB ILE 6 HB ILE 6 -19.666 2.454 3.590
52 1HG1 ILE 6 HG12 ILE 6 -21.890 2.539 4.550
53 2HG1 ILE 6 HG11 ILE 6 -22.228 0.907 4.037
54 1HG2 ILE 6 HG21 ILE 6 -21.747 1.518 1.651
55 2HG2 ILE 6 HG22 ILE 6 -20.238 2.336 1.238
56 3HG2 ILE 6 HG23 ILE 6 -21.480 3.187 2.162
57 1HD1 ILE 6 HD11 ILE 6 -19.844 1.269 5.729
58 2HD1 ILE 6 HD12 ILE 6 -21.083 0.012 5.767
59 3HD1 ILE 6 HD13 ILE 6 -21.400 1.585 6.496
60 H VAL 7 HN VAL 7 -19.578 -0.931 5.106
61 HA VAL 7 HA VAL 7 -17.205 0.142 6.279
62 HB VAL 7 HB VAL 7 -19.383 -0.914 7.378
63 1HG1 VAL 7 HG11 VAL 7 -19.060 -3.136 6.382
64 2HG1 VAL 7 HG12 VAL 7 -19.055 -3.188 8.143
65 3HG1 VAL 7 HG13 VAL 7 -17.536 -3.294 7.253
66 1HG2 VAL 7 HG21 VAL 7 -17.428 0.169 8.451
67 2HG2 VAL 7 HG22 VAL 7 -16.681 -1.423 8.564
68 3HG2 VAL 7 HG23 VAL 7 -18.193 -1.094 9.410
69 H TYR 8 HN TYR 8 -18.277 -2.720 4.638
70 HA TYR 8 HA TYR 8 -15.970 -4.342 4.751
71 1HB TYR 8 HB2 TYR 8 -18.491 -4.507 3.595
72 2HB TYR 8 HB1 TYR 8 -17.405 -4.441 2.211
73 HD1 TYR 8 HD1 TYR 8 -16.974 -5.906 5.573
74 HD2 TYR 8 HD2 TYR 8 -17.203 -6.612 1.404
75 HE1 TYR 8 HE1 TYR 8 -16.324 -8.142 5.941
76 HE2 TYR 8 HE2 TYR 8 -16.565 -8.909 1.756
77 HH TYR 8 HH TYR 8 -16.664 -10.442 4.672
78 H TRP 9 HN TRP 9 -17.226 -1.951 2.494
79 HA TRP 9 HA TRP 9 -15.118 -1.932 0.615
80 1HB TRP 9 HB2 TRP 9 -17.408 -0.240 1.371
81 2HB TRP 9 HB1 TRP 9 -16.036 0.673 0.743
82 HD1 TRP 9 HD1 TRP 9 -18.969 -1.107 -0.380
83 HE1 TRP 9 HE1 TRP 9 -18.769 -1.497 -2.950
84 HE3 TRP 9 HE3 TRP 9 -14.169 -0.001 -0.931
85 HZ2 TRP 9 HZ2 TRP 9 -16.801 -1.336 -4.924
86 HZ3 TRP 9 HZ3 TRP 9 -13.128 -0.109 -3.168
87 HH2 TRP 9 HH2 TRP 9 -14.453 -0.778 -5.123
88 H LYS 10 HN LYS 10 -16.000 0.301 3.059
89 HA LYS 10 HA LYS 10 -13.794 1.906 3.239
90 1HB LYS 10 HB2 LYS 10 -15.787 2.472 4.411
91 2HB LYS 10 HB1 LYS 10 -15.739 0.984 5.343
92 1HG LYS 10 HG2 LYS 10 -13.366 2.159 5.987
93 2HG LYS 10 HG1 LYS 10 -14.451 3.538 5.825
94 1HD LYS 10 HD2 LYS 10 -15.911 2.715 7.477
95 2HD LYS 10 HD1 LYS 10 -15.191 1.104 7.419
96 1HE LYS 10 HE2 LYS 10 -13.342 3.282 8.119
97 2HE LYS 10 HE1 LYS 10 -14.618 2.976 9.296
98 1HZ LYS 10 HZ1 LYS 10 -12.718 1.648 9.830
99 2HZ LYS 10 HZ2 LYS 10 -12.649 1.006 8.266
100 3HZ LYS 10 HZ3 LYS 10 -13.944 0.619 9.283
101 H GLN 11 HN GLN 11 -14.391 -1.076 5.113
102 HA GLN 11 HA GLN 11 -11.821 -0.944 6.364
103 1HB GLN 11 HB2 GLN 11 -12.362 -3.009 7.380
104 2HB GLN 11 HB1 GLN 11 -13.877 -2.133 7.284
105 1HG GLN 11 HG2 GLN 11 -14.560 -3.430 5.382
106 2HG GLN 11 HG1 GLN 11 -12.994 -4.216 5.311
107 1HE2 GLN 11 HE21 GLN 11 -13.469 -4.041 8.539
108 2HE2 GLN 11 HE22 GLN 11 -14.315 -5.522 8.791
109 H TRP 12 HN TRP 12 -12.506 -1.410 3.298
110 HA TRP 12 HA TRP 12 -10.316 -3.325 2.837
111 1HB TRP 12 HB2 TRP 12 -12.659 -3.774 1.902
112 2HB TRP 12 HB1 TRP 12 -12.376 -2.473 0.808
113 HD1 TRP 12 HD1 TRP 12 -11.720 -6.030 1.252
114 HE1 TRP 12 HE1 TRP 12 -10.138 -6.849 -0.587
115 HE3 TRP 12 HE3 TRP 12 -10.461 -1.592 -0.515
116 HZ2 TRP 12 HZ2 TRP 12 -8.544 -5.686 -2.611
117 HZ3 TRP 12 HZ3 TRP 12 -8.887 -1.406 -2.448
118 HH2 TRP 12 HH2 TRP 12 -7.940 -3.465 -3.477
119 H LEU 13 HN LEU 13 -11.587 -0.114 1.960
120 HA LEU 13 HA LEU 13 -9.115 0.389 0.478
121 1HB LEU 13 HB2 LEU 13 -11.351 0.950 -0.532
122 2HB LEU 13 HB1 LEU 13 -11.555 2.156 0.724
123 HG LEU 13 HG LEU 13 -9.123 2.858 -0.312
124 1HD1 LEU 13 HD11 LEU 13 -8.916 2.441 -2.515
125 2HD1 LEU 13 HD12 LEU 13 -10.655 2.504 -2.802
126 3HD1 LEU 13 HD13 LEU 13 -9.924 1.045 -2.133
127 1HD2 LEU 13 HD21 LEU 13 -10.358 4.671 -1.433
128 2HD2 LEU 13 HD22 LEU 13 -10.924 4.387 0.213
129 3HD2 LEU 13 HD23 LEU 13 -11.863 3.793 -1.157
130 H SER 14 HN SER 14 -10.293 0.700 3.581
131 HA SER 14 HA SER 14 -8.938 3.210 4.106
132 1HB SER 14 HB2 SER 14 -11.105 2.048 5.325
133 2HB SER 14 HB1 SER 14 -9.808 1.624 6.429
134 HG SER 14 HG SER 14 -9.755 3.614 7.076
135 H LEU 15 HN LEU 15 -8.679 -0.197 4.866
136 HA LEU 15 HA LEU 15 -6.147 0.144 6.155
137 1HB LEU 15 HB2 LEU 15 -7.603 -2.378 5.393
138 2HB LEU 15 HB1 LEU 15 -6.272 -2.229 6.519
139 HG LEU 15 HG LEU 15 -8.069 -2.363 7.955
140 1HD1 LEU 15 HD11 LEU 15 -8.485 -0.162 8.876
141 2HD1 LEU 15 HD12 LEU 15 -7.939 0.590 7.374
142 3HD1 LEU 15 HD13 LEU 15 -6.791 -0.287 8.391
143 1HD2 LEU 15 HD21 LEU 15 -9.448 -1.534 5.618
144 2HD2 LEU 15 HD22 LEU 15 -9.988 -0.546 6.984
145 3HD2 LEU 15 HD23 LEU 15 -10.095 -2.306 7.072
146 H ARG 16 HN ARG 16 -7.282 -1.747 3.391
147 HA ARG 16 HA ARG 16 -4.856 -2.540 2.377
148 1HB ARG 16 HB2 ARG 16 -7.418 -1.839 1.039
149 2HB ARG 16 HB1 ARG 16 -6.034 -2.259 0.065
150 1HG ARG 16 HG2 ARG 16 -7.442 -3.963 2.096
151 2HG ARG 16 HG1 ARG 16 -7.351 -4.216 0.352
152 1HD ARG 16 HD2 ARG 16 -4.811 -4.348 0.713
153 2HD ARG 16 HD1 ARG 16 -5.203 -4.545 2.421
154 HE ARG 16 HE ARG 16 -6.734 -6.421 1.216
155 1HH1 ARG 16 1HH1 ARG 16 -3.331 -5.661 1.062
156 2HH1 ARG 16 2HH1 ARG 16 -2.854 -7.294 0.742
157 1HH2 ARG 16 1HH2 ARG 16 -6.107 -8.569 0.795
158 2HH2 ARG 16 2HH2 ARG 16 -4.428 -8.946 0.591
159 H ASN 17 HN ASN 17 -6.232 0.580 2.306
160 HA ASN 17 HA ASN 17 -4.732 1.753 0.264
161 1HB ASN 17 HB2 ASN 17 -6.571 2.544 2.326
162 2HB ASN 17 HB1 ASN 17 -5.331 3.723 2.127
163 1HD2 ASN 17 HD21 ASN 17 -7.416 4.851 1.538
164 2HD2 ASN 17 HD22 ASN 17 -7.806 4.864 -0.136
165 HA PRO 18 HA PRO 18 -1.750 3.687 3.468
166 1HB PRO 18 HB2 PRO 18 -1.981 2.715 6.045
167 2HB PRO 18 HB1 PRO 18 -2.574 4.277 5.478
168 1HG PRO 18 HG2 PRO 18 -4.023 1.690 5.722
169 2HG PRO 18 HG1 PRO 18 -4.566 3.323 6.155
170 1HD PRO 18 HD2 PRO 18 -5.390 2.231 3.901
171 2HD PRO 18 HD1 PRO 18 -4.884 3.928 3.921
172 H ILE 19 HN ILE 19 -2.838 0.481 3.507
173 HA ILE 19 HA ILE 19 -0.455 -0.701 4.543
174 HB ILE 19 HB ILE 19 -2.795 -1.877 3.080
175 1HG1 ILE 19 HG12 ILE 19 -1.884 -1.657 5.918
176 2HG1 ILE 19 HG11 ILE 19 -3.475 -1.376 5.242
177 1HG2 ILE 19 HG21 ILE 19 -0.842 -3.206 2.490
178 2HG2 ILE 19 HG22 ILE 19 -1.876 -4.100 3.602
179 3HG2 ILE 19 HG23 ILE 19 -0.398 -3.339 4.192
180 1HD1 ILE 19 HD11 ILE 19 -2.194 -4.062 5.662
181 2HD1 ILE 19 HD12 ILE 19 -3.793 -3.781 4.972
182 3HD1 ILE 19 HD13 ILE 19 -3.467 -3.343 6.649
183 H LEU 20 HN LEU 20 -1.656 -0.096 1.344
184 HA LEU 20 HA LEU 20 0.418 -1.460 -0.038
185 1HB LEU 20 HB2 LEU 20 -0.351 -0.436 -2.032
186 2HB LEU 20 HB1 LEU 20 -1.761 -0.856 -1.086
187 HG LEU 20 HG LEU 20 -1.030 1.831 -0.468
188 1HD1 LEU 20 HD11 LEU 20 -1.612 1.511 -3.386
189 2HD1 LEU 20 HD12 LEU 20 0.047 1.571 -2.789
190 3HD1 LEU 20 HD13 LEU 20 -1.040 2.934 -2.516
191 1HD2 LEU 20 HD21 LEU 20 -3.283 2.267 -1.089
192 2HD2 LEU 20 HD22 LEU 20 -3.219 0.701 -0.278
193 3HD2 LEU 20 HD23 LEU 20 -3.363 0.778 -2.035
194 H VAL 21 HN VAL 21 -0.186 1.740 1.102
195 HA VAL 21 HA VAL 21 1.980 3.147 0.129
196 HB VAL 21 HB VAL 21 0.291 3.148 2.549
197 1HG1 VAL 21 HG11 VAL 21 1.457 4.918 3.564
198 2HG1 VAL 21 HG12 VAL 21 2.499 5.124 2.153
199 3HG1 VAL 21 HG13 VAL 21 2.641 3.673 3.152
200 1HG2 VAL 21 HG21 VAL 21 0.745 5.185 0.378
201 2HG2 VAL 21 HG22 VAL 21 -0.423 5.327 1.695
202 3HG2 VAL 21 HG23 VAL 21 -0.600 4.046 0.488
203 H PHE 22 HN PHE 22 1.396 1.389 3.104
204 HA PHE 22 HA PHE 22 3.832 1.602 4.394
205 1HB PHE 22 HB2 PHE 22 2.369 0.630 5.790
206 2HB PHE 22 HB1 PHE 22 1.420 -0.013 4.470
207 HD1 PHE 22 HD1 PHE 22 4.654 -0.493 6.081
208 HD2 PHE 22 HD2 PHE 22 1.296 -2.168 4.191
209 HE1 PHE 22 HE1 PHE 22 5.583 -2.729 6.480
210 HE2 PHE 22 HE2 PHE 22 2.173 -4.436 4.569
211 HZ PHE 22 HZ PHE 22 4.341 -4.725 5.710
212 H LEU 23 HN LEU 23 2.765 -0.358 1.749
213 HA LEU 23 HA LEU 23 5.232 -2.007 1.849
214 1HB LEU 23 HB2 LEU 23 2.999 -1.898 -0.164
215 2HB LEU 23 HB1 LEU 23 4.406 -2.930 -0.339
216 HG LEU 23 HG LEU 23 3.470 -3.601 2.163
217 1HD1 LEU 23 HD11 LEU 23 1.482 -2.130 1.084
218 2HD1 LEU 23 HD12 LEU 23 1.247 -3.398 2.299
219 3HD1 LEU 23 HD13 LEU 23 1.009 -3.759 0.586
220 1HD2 LEU 23 HD21 LEU 23 3.327 -5.667 1.254
221 2HD2 LEU 23 HD22 LEU 23 4.094 -4.885 -0.128
222 3HD2 LEU 23 HD23 LEU 23 2.346 -5.117 -0.105
223 H LYS 24 HN LYS 24 3.899 0.664 0.194
224 HA LYS 24 HA LYS 24 5.710 0.867 -1.935
225 1HB LYS 24 HB2 LYS 24 3.472 2.239 -0.842
226 2HB LYS 24 HB1 LYS 24 4.696 3.411 -1.209
227 1HG LYS 24 HG2 LYS 24 3.973 3.329 -3.310
228 2HG LYS 24 HG1 LYS 24 4.624 1.689 -3.377
229 1HD LYS 24 HD2 LYS 24 2.351 1.133 -2.156
230 2HD LYS 24 HD1 LYS 24 1.827 2.596 -3.000
231 1HE LYS 24 HE2 LYS 24 3.078 0.164 -4.277
232 2HE LYS 24 HE1 LYS 24 1.367 0.586 -4.320
233 1HZ LYS 24 HZ1 LYS 24 3.201 2.633 -5.255
234 2HZ LYS 24 HZ2 LYS 24 1.704 2.154 -5.877
235 3HZ LYS 24 HZ3 LYS 24 3.092 1.253 -6.226
236 H THR 25 HN THR 25 5.561 2.214 1.253
237 HA THR 25 HA THR 25 7.867 3.822 1.064
238 HB THR 25 HB THR 25 6.262 4.453 2.687
239 HG1 THR 25 HG1 THR 25 8.545 4.416 3.387
240 1HG2 THR 25 HG21 THR 25 5.082 3.129 4.054
241 2HG2 THR 25 HG22 THR 25 6.455 2.076 4.396
242 3HG2 THR 25 HG23 THR 25 5.541 1.877 2.898
243 H ARG 26 HN ARG 26 7.155 0.609 2.425
244 HA ARG 26 HA ARG 26 9.665 0.091 3.544
245 1HB ARG 26 HB2 ARG 26 7.578 -1.651 2.269
246 2HB ARG 26 HB1 ARG 26 9.053 -2.341 2.935
247 1HG ARG 26 HG2 ARG 26 6.810 -0.972 4.359
248 2HG ARG 26 HG1 ARG 26 7.499 -2.559 4.647
249 1HD ARG 26 HD2 ARG 26 9.618 -1.372 5.331
250 2HD ARG 26 HD1 ARG 26 8.686 0.124 5.278
251 HE ARG 26 HE ARG 26 8.557 -1.942 7.288
252 1HH1 ARG 26 1HH1 ARG 26 6.910 0.767 5.827
253 2HH1 ARG 26 2HH1 ARG 26 5.916 1.070 7.213
254 1HH2 ARG 26 1HH2 ARG 26 7.250 -1.544 9.110
255 2HH2 ARG 26 2HH2 ARG 26 6.109 -0.242 9.076
256 H VAL 27 HN VAL 27 8.447 -0.290 0.307
257 HA VAL 27 HA VAL 27 10.777 -1.436 -0.872
258 HB VAL 27 HB VAL 27 8.120 -0.441 -1.686
259 1HG1 VAL 27 HG11 VAL 27 10.443 -0.524 -3.567
260 2HG1 VAL 27 HG12 VAL 27 9.297 0.782 -3.272
261 3HG1 VAL 27 HG13 VAL 27 8.770 -0.677 -4.110
262 1HG2 VAL 27 HG21 VAL 27 8.068 -2.585 -2.890
263 2HG2 VAL 27 HG22 VAL 27 8.465 -2.780 -1.182
264 3HG2 VAL 27 HG23 VAL 27 9.736 -2.883 -2.401
265 H LEU 28 HN LEU 28 9.717 1.711 -0.069
266 HA LEU 28 HA LEU 28 11.275 3.166 -1.947
267 1HB LEU 28 HB2 LEU 28 9.886 4.832 -1.378
268 2HB LEU 28 HB1 LEU 28 8.981 3.628 -0.536
269 HG LEU 28 HG LEU 28 10.092 4.197 1.544
270 1HD1 LEU 28 HD11 LEU 28 11.866 5.661 -0.214
271 2HD1 LEU 28 HD12 LEU 28 12.094 5.162 1.461
272 3HD1 LEU 28 HD13 LEU 28 11.257 6.670 1.097
273 1HD2 LEU 28 HD21 LEU 28 9.269 6.878 0.708
274 2HD2 LEU 28 HD22 LEU 28 8.613 5.827 1.964
275 3HD2 LEU 28 HD23 LEU 28 8.127 5.603 0.284
276 H LYS 29 HN LYS 29 11.148 2.622 1.479
277 HA LYS 29 HA LYS 29 13.574 3.926 2.090
278 1HB LYS 29 HB2 LYS 29 13.337 3.122 4.303
279 2HB LYS 29 HB1 LYS 29 11.701 3.406 3.732
280 1HG LYS 29 HG2 LYS 29 11.365 1.052 3.370
281 2HG LYS 29 HG1 LYS 29 13.050 0.714 3.771
282 1HD LYS 29 HD2 LYS 29 12.178 2.112 5.965
283 2HD LYS 29 HD1 LYS 29 10.755 1.169 5.521
284 1HE LYS 29 HE2 LYS 29 11.932 -0.213 6.996
285 2HE LYS 29 HE1 LYS 29 12.341 -0.831 5.396
286 1HZ LYS 29 HZ1 LYS 29 14.178 -0.380 7.187
287 2HZ LYS 29 HZ2 LYS 29 14.087 1.199 6.586
288 3HZ LYS 29 HZ3 LYS 29 14.471 -0.080 5.547
289 H ARG 30 HN ARG 30 12.710 0.886 0.904
290 HA ARG 30 HA ARG 30 15.171 -0.440 1.457
291 1HB ARG 30 HB2 ARG 30 12.641 -0.998 0.032
292 2HB ARG 30 HB1 ARG 30 14.019 -1.971 -0.399
293 1HG ARG 30 HG2 ARG 30 13.720 -1.734 2.451
294 2HG ARG 30 HG1 ARG 30 12.256 -2.345 1.695
295 1HD ARG 30 HD2 ARG 30 15.033 -3.496 1.493
296 2HD ARG 30 HD1 ARG 30 13.635 -4.222 2.283
297 HE ARG 30 HE ARG 30 12.873 -3.871 -0.324
298 1HH1 ARG 30 1HH1 ARG 30 15.476 -5.534 1.300
299 2HH1 ARG 30 2HH1 ARG 30 15.616 -6.761 0.085
300 1HH2 ARG 30 1HH2 ARG 30 13.057 -5.482 -1.922
301 2HH2 ARG 30 2HH2 ARG 30 14.243 -6.732 -1.745
302 H TRP 31 HN TRP 31 13.663 1.446 -0.983
303 HA TRP 31 HA TRP 31 15.447 1.038 -3.113
304 1HB TRP 31 HB2 TRP 31 12.972 2.248 -2.577
305 2HB TRP 31 HB1 TRP 31 14.004 3.476 -3.194
306 HD1 TRP 31 HD1 TRP 31 12.273 0.425 -4.151
307 HE1 TRP 31 HE1 TRP 31 12.537 0.052 -6.679
308 HE3 TRP 31 HE3 TRP 31 15.612 3.873 -4.840
309 HZ2 TRP 31 HZ2 TRP 31 14.095 1.208 -8.748
310 HZ3 TRP 31 HZ3 TRP 31 16.570 4.313 -7.126
311 HH2 TRP 31 HH2 TRP 31 15.810 2.977 -9.050
312 H ARG 32 HN ARG 32 14.847 3.349 -0.496
313 HA ARG 32 HA ARG 32 16.824 5.250 -1.041
314 1HB ARG 32 HB2 ARG 32 15.624 4.165 1.480
315 2HB ARG 32 HB1 ARG 32 16.547 5.668 1.404
316 1HG ARG 32 HG2 ARG 32 14.088 5.217 -0.254
317 2HG ARG 32 HG1 ARG 32 14.014 5.839 1.374
318 1HD ARG 32 HD2 ARG 32 15.747 7.019 -0.741
319 2HD ARG 32 HD1 ARG 32 14.064 7.496 -0.548
320 HE ARG 32 HE ARG 32 16.283 8.218 1.148
321 1HH1 ARG 32 1HH1 ARG 32 12.814 7.898 0.928
322 2HH1 ARG 32 2HH1 ARG 32 12.504 9.024 2.206
323 1HH2 ARG 32 1HH2 ARG 32 15.876 9.700 2.831
324 2HH2 ARG 32 2HH2 ARG 32 14.242 10.047 3.286
325 H LEU 33 HN LEU 33 16.677 2.478 1.042
326 HA LEU 33 HA LEU 33 19.227 2.297 2.044
327 1HB LEU 33 HB2 LEU 33 16.870 0.580 1.527
328 2HB LEU 33 HB1 LEU 33 18.312 -0.179 2.067
329 HG LEU 33 HG LEU 33 16.338 0.911 3.601
330 1HD1 LEU 33 HD11 LEU 33 17.727 0.374 5.500
331 2HD1 LEU 33 HD12 LEU 33 19.171 0.400 4.489
332 3HD1 LEU 33 HD13 LEU 33 17.952 -0.853 4.254
333 1HD2 LEU 33 HD21 LEU 33 17.097 2.859 4.639
334 2HD2 LEU 33 HD22 LEU 33 17.357 3.113 2.911
335 3HD2 LEU 33 HD23 LEU 33 18.714 2.686 3.951
336 H PHE 34 HN PHE 34 17.694 1.022 -0.736
337 HA PHE 34 HA PHE 34 19.847 -0.581 -1.654
338 1HB PHE 34 HB2 PHE 34 17.214 0.159 -2.538
339 2HB PHE 34 HB1 PHE 34 18.321 -0.077 -3.856
340 HD1 PHE 34 HD1 PHE 34 17.520 -2.098 -4.727
341 HD2 PHE 34 HD2 PHE 34 18.400 -1.644 -0.617
342 HE1 PHE 34 HE1 PHE 34 17.323 -4.516 -4.437
343 HE2 PHE 34 HE2 PHE 34 18.214 -4.062 -0.295
344 HZ PHE 34 HZ PHE 34 17.666 -5.532 -2.208
345 H SER 35 HN SER 35 18.945 2.612 -1.687
346 HA SER 35 HA SER 35 20.851 3.312 -3.846
347 1HB SER 35 HB2 SER 35 18.425 4.482 -3.152
348 2HB SER 35 HB1 SER 35 19.638 5.622 -2.572
349 HG SER 35 HG SER 35 18.804 5.315 -5.028
350 H LYS 36 HN LYS 36 20.577 3.439 -0.356
351 HA LYS 36 HA LYS 36 22.814 5.261 -0.118
352 1HB LYS 36 HB2 LYS 36 21.688 3.631 2.132
353 2HB LYS 36 HB1 LYS 36 22.522 5.172 2.221
354 1HG LYS 36 HG2 LYS 36 19.711 4.575 1.464
355 2HG LYS 36 HG1 LYS 36 20.330 5.718 2.647
356 1HD LYS 36 HD2 LYS 36 21.148 7.165 0.876
357 2HD LYS 36 HD1 LYS 36 20.623 6.005 -0.344
358 1HE LYS 36 HE2 LYS 36 18.841 7.424 -0.391
359 2HE LYS 36 HE1 LYS 36 18.299 6.324 0.875
360 1HZ LYS 36 HZ1 LYS 36 19.853 8.713 1.598
361 2HZ LYS 36 HZ2 LYS 36 18.713 7.861 2.511
362 3HZ LYS 36 HZ3 LYS 36 18.204 8.868 1.252
363 H HIS 37 HN HIS 37 22.168 1.881 0.328
364 HA HIS 37 HA HIS 37 24.735 1.169 1.290
365 1HB HIS 37 HB2 HIS 37 22.275 -0.170 0.686
366 2HB HIS 37 HB1 HIS 37 23.600 -1.056 -0.040
367 HD1 HIS 37 HD1 HIS 37 24.605 -2.736 1.475
368 HD2 HIS 37 HD2 HIS 37 22.921 0.435 3.565
369 HE1 HIS 37 HE1 HIS 37 24.905 -3.302 3.907
370 HE2 HIS 37 HE2 HIS 37 23.808 -1.406 5.153
371 H GLU 38 HN GLU 38 23.421 1.592 -1.920
372 HA GLU 38 HA GLU 38 25.791 0.426 -3.140
373 1HB GLU 38 HB2 GLU 38 23.069 1.172 -4.054
374 2HB GLU 38 HB1 GLU 38 24.360 1.279 -5.236
375 1HG GLU 38 HG2 GLU 38 24.787 -0.999 -5.169
376 2HG GLU 38 HG1 GLU 38 23.999 -1.194 -3.603
Start of MODEL 4
1 1H VAL 1 HT1 VAL 1 -27.309 1.482 -0.819
2 2H VAL 1 HT2 VAL 1 -26.413 2.580 -1.784
3 3H VAL 1 HT3 VAL 1 -26.447 2.764 -0.078
4 HA VAL 1 HA VAL 1 -25.162 0.663 -1.675
5 HB VAL 1 HB VAL 1 -23.166 1.356 -0.385
6 1HG1 VAL 1 HG11 VAL 1 -23.272 3.846 -1.426
7 2HG1 VAL 1 HG12 VAL 1 -24.593 3.072 -2.302
8 3HG1 VAL 1 HG13 VAL 1 -22.969 2.390 -2.374
9 1HG2 VAL 1 HG21 VAL 1 -24.813 3.703 0.539
10 2HG2 VAL 1 HG22 VAL 1 -23.147 3.315 0.972
11 3HG2 VAL 1 HG23 VAL 1 -24.468 2.295 1.542
12 H MET 2 HN MET 2 -24.689 -1.258 -0.728
13 HA MET 2 HA MET 2 -26.148 -2.061 1.531
14 1HB MET 2 HB2 MET 2 -24.301 -3.254 -0.410
15 2HB MET 2 HB1 MET 2 -24.295 -4.014 1.164
16 1HG MET 2 HG2 MET 2 -26.726 -4.316 1.013
17 2HG MET 2 HG1 MET 2 -26.689 -3.580 -0.588
18 1HE MET 2 HE1 MET 2 -25.366 -4.450 -2.535
19 2HE MET 2 HE2 MET 2 -26.906 -5.301 -2.654
20 3HE MET 2 HE3 MET 2 -25.396 -6.170 -2.925
21 HA PRO 3 HA PRO 3 -23.559 -0.353 4.777
22 1HB PRO 3 HB2 PRO 3 -24.409 -2.425 6.528
23 2HB PRO 3 HB1 PRO 3 -25.001 -0.772 6.450
24 1HG PRO 3 HG2 PRO 3 -26.124 -3.238 5.268
25 2HG PRO 3 HG1 PRO 3 -26.959 -1.771 5.814
26 1HD PRO 3 HD2 PRO 3 -26.665 -2.314 3.219
27 2HD PRO 3 HD1 PRO 3 -26.534 -0.647 3.822
28 H LYS 4 HN LYS 4 -23.612 -3.669 3.843
29 HA LYS 4 HA LYS 4 -21.092 -4.240 5.212
30 1HB LYS 4 HB2 LYS 4 -22.892 -6.038 3.592
31 2HB LYS 4 HB1 LYS 4 -21.501 -6.560 4.532
32 1HG LYS 4 HG2 LYS 4 -22.603 -5.858 6.585
33 2HG LYS 4 HG1 LYS 4 -23.991 -5.288 5.655
34 1HD LYS 4 HD2 LYS 4 -23.758 -7.846 4.759
35 2HD LYS 4 HD1 LYS 4 -23.223 -8.016 6.432
36 1HE LYS 4 HE2 LYS 4 -25.285 -7.684 7.245
37 2HE LYS 4 HE1 LYS 4 -25.613 -6.364 6.124
38 1HZ LYS 4 HZ1 LYS 4 -26.634 -8.926 6.030
39 2HZ LYS 4 HZ2 LYS 4 -25.534 -8.841 4.748
40 3HZ LYS 4 HZ3 LYS 4 -26.796 -7.720 4.854
41 H GLN 5 HN GLN 5 -22.221 -3.409 2.078
42 HA GLN 5 HA GLN 5 -19.907 -4.549 0.788
43 1HB GLN 5 HB2 GLN 5 -21.350 -4.674 -0.930
44 2HB GLN 5 HB1 GLN 5 -22.532 -3.823 0.040
45 1HG GLN 5 HG2 GLN 5 -22.431 -2.511 -1.799
46 2HG GLN 5 HG1 GLN 5 -21.303 -1.693 -0.750
47 1HE2 GLN 5 HE21 GLN 5 -19.206 -3.622 -1.206
48 2HE2 GLN 5 HE22 GLN 5 -18.697 -3.387 -2.819
49 H ILE 6 HN ILE 6 -20.998 -1.502 1.991
50 HA ILE 6 HA ILE 6 -18.878 -0.086 0.646
51 HB ILE 6 HB ILE 6 -19.697 1.813 2.170
52 1HG1 ILE 6 HG12 ILE 6 -22.032 1.721 2.785
53 2HG1 ILE 6 HG11 ILE 6 -22.156 0.076 2.229
54 1HG2 ILE 6 HG21 ILE 6 -19.893 1.763 -0.216
55 2HG2 ILE 6 HG22 ILE 6 -21.384 2.395 0.492
56 3HG2 ILE 6 HG23 ILE 6 -21.319 0.732 -0.099
57 1HD1 ILE 6 HD11 ILE 6 -21.052 -0.744 4.044
58 2HD1 ILE 6 HD12 ILE 6 -21.822 0.664 4.764
59 3HD1 ILE 6 HD13 ILE 6 -20.123 0.728 4.286
60 H VAL 7 HN VAL 7 -19.586 -1.598 3.665
61 HA VAL 7 HA VAL 7 -17.511 -0.377 5.204
62 HB VAL 7 HB VAL 7 -19.720 -1.591 5.980
63 1HG1 VAL 7 HG11 VAL 7 -19.391 -3.880 6.700
64 2HG1 VAL 7 HG12 VAL 7 -17.766 -3.887 6.013
65 3HG1 VAL 7 HG13 VAL 7 -19.171 -3.760 4.954
66 1HG2 VAL 7 HG21 VAL 7 -17.214 -2.087 7.524
67 2HG2 VAL 7 HG22 VAL 7 -18.831 -1.738 8.133
68 3HG2 VAL 7 HG23 VAL 7 -17.909 -0.484 7.307
69 H TYR 8 HN TYR 8 -18.102 -3.257 3.358
70 HA TYR 8 HA TYR 8 -15.720 -4.714 3.781
71 1HB TYR 8 HB2 TYR 8 -18.010 -4.990 2.212
72 2HB TYR 8 HB1 TYR 8 -16.705 -4.826 1.044
73 HD1 TYR 8 HD1 TYR 8 -16.264 -6.969 0.249
74 HD2 TYR 8 HD2 TYR 8 -16.752 -6.344 4.409
75 HE1 TYR 8 HE1 TYR 8 -15.554 -9.232 0.670
76 HE2 TYR 8 HE2 TYR 8 -16.048 -8.552 4.848
77 HH TYR 8 HH TYR 8 -15.928 -10.762 3.699
78 H TRP 9 HN TRP 9 -16.806 -2.351 1.402
79 HA TRP 9 HA TRP 9 -14.455 -2.087 -0.129
80 1HB TRP 9 HB2 TRP 9 -16.944 -0.582 0.341
81 2HB TRP 9 HB1 TRP 9 -15.561 0.445 -0.038
82 HD1 TRP 9 HD1 TRP 9 -18.182 -1.402 -1.665
83 HE1 TRP 9 HE1 TRP 9 -17.577 -1.671 -4.187
84 HE3 TRP 9 HE3 TRP 9 -13.408 -0.084 -1.436
85 HZ2 TRP 9 HZ2 TRP 9 -15.344 -1.346 -5.830
86 HZ3 TRP 9 HZ3 TRP 9 -12.040 -0.050 -3.487
87 HH2 TRP 9 HH2 TRP 9 -13.021 -0.683 -5.647
88 H LYS 10 HN LYS 10 -15.836 -0.022 2.230
89 HA LYS 10 HA LYS 10 -13.800 1.714 2.783
90 1HB LYS 10 HB2 LYS 10 -15.971 2.105 3.670
91 2HB LYS 10 HB1 LYS 10 -15.964 0.580 4.542
92 1HG LYS 10 HG2 LYS 10 -13.792 1.870 5.575
93 2HG LYS 10 HG1 LYS 10 -14.939 3.182 5.310
94 1HD LYS 10 HD2 LYS 10 -16.559 2.183 6.697
95 2HD LYS 10 HD1 LYS 10 -15.723 0.630 6.685
96 1HE LYS 10 HE2 LYS 10 -14.565 3.135 7.892
97 2HE LYS 10 HE1 LYS 10 -15.506 1.960 8.810
98 1HZ LYS 10 HZ1 LYS 10 -13.828 0.478 8.805
99 2HZ LYS 10 HZ2 LYS 10 -12.867 1.853 8.583
100 3HZ LYS 10 HZ3 LYS 10 -13.293 0.894 7.255
101 H GLN 11 HN GLN 11 -14.438 -1.383 4.450
102 HA GLN 11 HA GLN 11 -12.057 -1.122 6.038
103 1HB GLN 11 HB2 GLN 11 -12.618 -3.229 6.956
104 2HB GLN 11 HB1 GLN 11 -14.150 -2.427 6.677
105 1HG GLN 11 HG2 GLN 11 -14.499 -3.717 4.668
106 2HG GLN 11 HG1 GLN 11 -12.914 -4.448 4.832
107 1HE2 GLN 11 HE21 GLN 11 -13.867 -4.314 7.952
108 2HE2 GLN 11 HE22 GLN 11 -14.694 -5.823 8.072
109 H TRP 12 HN TRP 12 -12.308 -1.534 2.912
110 HA TRP 12 HA TRP 12 -9.991 -3.342 2.695
111 1HB TRP 12 HB2 TRP 12 -12.169 -3.900 1.474
112 2HB TRP 12 HB1 TRP 12 -11.831 -2.566 0.440
113 HD1 TRP 12 HD1 TRP 12 -11.031 -6.088 0.920
114 HE1 TRP 12 HE1 TRP 12 -9.193 -6.785 -0.723
115 HE3 TRP 12 HE3 TRP 12 -9.821 -1.556 -0.633
116 HZ2 TRP 12 HZ2 TRP 12 -7.436 -5.500 -2.525
117 HZ3 TRP 12 HZ3 TRP 12 -8.039 -1.249 -2.357
118 HH2 TRP 12 HH2 TRP 12 -6.859 -3.234 -3.286
119 H LEU 13 HN LEU 13 -11.313 -0.185 1.706
120 HA LEU 13 HA LEU 13 -8.725 0.469 0.523
121 1HB LEU 13 HB2 LEU 13 -10.886 0.948 -0.698
122 2HB LEU 13 HB1 LEU 13 -11.240 2.141 0.539
123 HG LEU 13 HG LEU 13 -8.962 3.182 -0.122
124 1HD1 LEU 13 HD11 LEU 13 -9.496 1.972 -2.789
125 2HD1 LEU 13 HD12 LEU 13 -8.565 1.055 -1.605
126 3HD1 LEU 13 HD13 LEU 13 -8.004 2.643 -2.130
127 1HD2 LEU 13 HD21 LEU 13 -10.744 4.533 -0.596
128 2HD2 LEU 13 HD22 LEU 13 -11.562 3.304 -1.562
129 3HD2 LEU 13 HD23 LEU 13 -10.185 4.180 -2.232
130 H SER 14 HN SER 14 -10.288 0.676 3.472
131 HA SER 14 HA SER 14 -9.106 3.220 4.195
132 1HB SER 14 HB2 SER 14 -11.332 1.932 5.148
133 2HB SER 14 HB1 SER 14 -10.141 1.530 6.375
134 HG SER 14 HG SER 14 -9.868 3.657 6.822
135 H LEU 15 HN LEU 15 -8.782 -0.186 4.962
136 HA LEU 15 HA LEU 15 -6.415 0.244 6.514
137 1HB LEU 15 HB2 LEU 15 -7.641 -2.333 5.553
138 2HB LEU 15 HB1 LEU 15 -6.464 -2.136 6.833
139 HG LEU 15 HG LEU 15 -8.410 -2.405 8.039
140 1HD1 LEU 15 HD11 LEU 15 -8.374 0.567 7.539
141 2HD1 LEU 15 HD12 LEU 15 -7.314 -0.278 8.671
142 3HD1 LEU 15 HD13 LEU 15 -9.057 -0.253 8.944
143 1HD2 LEU 15 HD21 LEU 15 -10.297 -0.665 6.865
144 2HD2 LEU 15 HD22 LEU 15 -10.324 -2.429 6.935
145 3HD2 LEU 15 HD23 LEU 15 -9.550 -1.607 5.569
146 H ARG 16 HN ARG 16 -7.142 -1.623 3.604
147 HA ARG 16 HA ARG 16 -4.576 -2.275 2.875
148 1HB ARG 16 HB2 ARG 16 -6.995 -1.683 1.253
149 2HB ARG 16 HB1 ARG 16 -5.485 -2.009 0.446
150 1HG ARG 16 HG2 ARG 16 -7.022 -3.826 2.276
151 2HG ARG 16 HG1 ARG 16 -6.726 -4.036 0.549
152 1HD ARG 16 HD2 ARG 16 -4.261 -4.112 1.119
153 2HD ARG 16 HD1 ARG 16 -4.750 -4.223 2.810
154 HE ARG 16 HE ARG 16 -4.922 -6.290 0.805
155 1HH1 ARG 16 1HH1 ARG 16 -6.087 -5.164 3.898
156 2HH1 ARG 16 2HH1 ARG 16 -6.578 -6.738 4.425
157 1HH2 ARG 16 1HH2 ARG 16 -5.568 -8.360 1.499
158 2HH2 ARG 16 2HH2 ARG 16 -6.283 -8.552 3.065
159 H ASN 17 HN ASN 17 -6.102 0.770 2.700
160 HA ASN 17 HA ASN 17 -4.510 2.083 0.853
161 1HB ASN 17 HB2 ASN 17 -6.508 2.725 2.799
162 2HB ASN 17 HB1 ASN 17 -5.298 3.947 2.757
163 1HD2 ASN 17 HD21 ASN 17 -7.368 5.040 2.059
164 2HD2 ASN 17 HD22 ASN 17 -7.620 5.131 0.361
165 HA PRO 18 HA PRO 18 -1.748 4.022 4.205
166 1HB PRO 18 HB2 PRO 18 -2.082 3.051 6.770
167 2HB PRO 18 HB1 PRO 18 -2.672 4.605 6.175
168 1HG PRO 18 HG2 PRO 18 -4.091 1.995 6.362
169 2HG PRO 18 HG1 PRO 18 -4.678 3.621 6.759
170 1HD PRO 18 HD2 PRO 18 -5.378 2.502 4.477
171 2HD PRO 18 HD1 PRO 18 -4.908 4.208 4.512
172 H ILE 19 HN ILE 19 -2.807 0.794 4.272
173 HA ILE 19 HA ILE 19 -0.378 -0.304 5.356
174 HB ILE 19 HB ILE 19 -2.685 -1.622 3.942
175 1HG1 ILE 19 HG12 ILE 19 -1.888 -1.219 6.810
176 2HG1 ILE 19 HG11 ILE 19 -3.417 -0.844 6.043
177 1HG2 ILE 19 HG21 ILE 19 -0.312 -2.905 5.295
178 2HG2 ILE 19 HG22 ILE 19 -0.699 -2.966 3.576
179 3HG2 ILE 19 HG23 ILE 19 -1.750 -3.763 4.744
180 1HD1 ILE 19 HD11 ILE 19 -2.467 -3.352 7.227
181 2HD1 ILE 19 HD12 ILE 19 -3.365 -3.517 5.718
182 3HD1 ILE 19 HD13 ILE 19 -4.099 -2.698 7.097
183 H LEU 20 HN LEU 20 -1.518 0.419 2.165
184 HA LEU 20 HA LEU 20 0.560 -1.107 0.872
185 1HB LEU 20 HB2 LEU 20 -0.197 -0.246 -1.185
186 2HB LEU 20 HB1 LEU 20 -1.633 -0.542 -0.231
187 HG LEU 20 HG LEU 20 -0.814 2.159 0.182
188 1HD1 LEU 20 HD11 LEU 20 -0.470 1.174 -2.552
189 2HD1 LEU 20 HD12 LEU 20 0.115 2.656 -1.797
190 3HD1 LEU 20 HD13 LEU 20 -1.535 2.572 -2.413
191 1HD2 LEU 20 HD21 LEU 20 -3.170 1.101 -1.339
192 2HD2 LEU 20 HD22 LEU 20 -3.043 2.615 -0.440
193 3HD2 LEU 20 HD23 LEU 20 -3.035 1.074 0.419
194 H VAL 21 HN VAL 21 -0.094 2.155 1.856
195 HA VAL 21 HA VAL 21 2.087 3.524 0.847
196 HB VAL 21 HB VAL 21 0.364 3.675 3.256
197 1HG1 VAL 21 HG11 VAL 21 2.680 4.236 3.864
198 2HG1 VAL 21 HG12 VAL 21 1.516 5.545 4.116
199 3HG1 VAL 21 HG13 VAL 21 2.604 5.582 2.726
200 1HG2 VAL 21 HG21 VAL 21 -0.359 5.775 2.250
201 2HG2 VAL 21 HG22 VAL 21 -0.507 4.425 1.119
202 3HG2 VAL 21 HG23 VAL 21 0.830 5.570 0.960
203 H PHE 22 HN PHE 22 1.470 1.961 3.908
204 HA PHE 22 HA PHE 22 3.891 2.227 5.218
205 1HB PHE 22 HB2 PHE 22 2.327 1.394 6.631
206 2HB PHE 22 HB1 PHE 22 1.446 0.638 5.329
207 HD1 PHE 22 HD1 PHE 22 4.652 0.276 7.060
208 HD2 PHE 22 HD2 PHE 22 1.261 -1.477 5.322
209 HE1 PHE 22 HE1 PHE 22 5.498 -1.927 7.724
210 HE2 PHE 22 HE2 PHE 22 2.047 -3.723 5.983
211 HZ PHE 22 HZ PHE 22 4.189 -3.947 7.168
212 H LEU 23 HN LEU 23 2.828 0.128 2.714
213 HA LEU 23 HA LEU 23 5.157 -1.664 2.799
214 1HB LEU 23 HB2 LEU 23 2.826 -1.340 0.925
215 2HB LEU 23 HB1 LEU 23 4.213 -2.292 0.444
216 HG LEU 23 HG LEU 23 2.077 -3.355 1.582
217 1HD1 LEU 23 HD11 LEU 23 4.937 -4.049 1.541
218 2HD1 LEU 23 HD12 LEU 23 3.541 -4.958 0.962
219 3HD1 LEU 23 HD13 LEU 23 3.948 -4.966 2.678
220 1HD2 LEU 23 HD21 LEU 23 3.721 -3.265 4.003
221 2HD2 LEU 23 HD22 LEU 23 1.967 -3.268 3.813
222 3HD2 LEU 23 HD23 LEU 23 2.880 -1.771 3.584
223 H LYS 24 HN LYS 24 3.998 1.039 1.105
224 HA LYS 24 HA LYS 24 5.852 1.142 -0.991
225 1HB LYS 24 HB2 LYS 24 3.625 2.590 0.007
226 2HB LYS 24 HB1 LYS 24 4.872 3.728 -0.379
227 1HG LYS 24 HG2 LYS 24 4.196 3.579 -2.490
228 2HG LYS 24 HG1 LYS 24 4.814 1.926 -2.482
229 1HD LYS 24 HD2 LYS 24 2.496 1.480 -1.280
230 2HD LYS 24 HD1 LYS 24 2.032 2.903 -2.220
231 1HE LYS 24 HE2 LYS 24 1.925 1.707 -4.097
232 2HE LYS 24 HE1 LYS 24 3.546 1.060 -3.840
233 1HZ LYS 24 HZ1 LYS 24 0.952 -0.093 -3.152
234 2HZ LYS 24 HZ2 LYS 24 2.238 -0.401 -2.098
235 3HZ LYS 24 HZ3 LYS 24 2.354 -0.848 -3.726
236 H THR 25 HN THR 25 5.669 2.668 2.128
237 HA THR 25 HA THR 25 8.001 4.209 1.925
238 HB THR 25 HB THR 25 6.454 4.829 3.611
239 HG1 THR 25 HG1 THR 25 7.694 4.700 5.495
240 1HG2 THR 25 HG21 THR 25 5.427 3.492 5.158
241 2HG2 THR 25 HG22 THR 25 6.702 2.274 5.110
242 3HG2 THR 25 HG23 THR 25 5.550 2.397 3.777
243 H ARG 26 HN ARG 26 7.290 0.991 3.250
244 HA ARG 26 HA ARG 26 9.882 0.429 4.206
245 1HB ARG 26 HB2 ARG 26 7.646 -1.288 3.162
246 2HB ARG 26 HB1 ARG 26 9.135 -1.985 3.790
247 1HG ARG 26 HG2 ARG 26 6.998 -0.485 5.245
248 2HG ARG 26 HG1 ARG 26 7.673 -2.069 5.591
249 1HD ARG 26 HD2 ARG 26 9.881 -0.717 5.950
250 2HD ARG 26 HD1 ARG 26 8.774 0.639 6.167
251 HE ARG 26 HE ARG 26 7.911 -1.496 7.766
252 1HH1 ARG 26 1HH1 ARG 26 10.546 0.782 7.562
253 2HH1 ARG 26 2HH1 ARG 26 10.854 0.769 9.266
254 1HH2 ARG 26 1HH2 ARG 26 8.315 -1.513 10.008
255 2HH2 ARG 26 2HH2 ARG 26 9.588 -0.534 10.655
256 H VAL 27 HN VAL 27 8.322 0.063 1.130
257 HA VAL 27 HA VAL 27 10.443 -1.220 -0.277
258 HB VAL 27 HB VAL 27 7.772 -0.083 -0.820
259 1HG1 VAL 27 HG11 VAL 27 8.124 -0.371 -3.282
260 2HG1 VAL 27 HG12 VAL 27 9.855 -0.367 -2.946
261 3HG1 VAL 27 HG13 VAL 27 8.874 1.041 -2.541
262 1HG2 VAL 27 HG21 VAL 27 9.158 -2.631 -1.640
263 2HG2 VAL 27 HG22 VAL 27 7.471 -2.240 -1.971
264 3HG2 VAL 27 HG23 VAL 27 8.022 -2.432 -0.307
265 H LEU 28 HN LEU 28 9.636 1.982 0.597
266 HA LEU 28 HA LEU 28 11.013 3.361 -1.463
267 1HB LEU 28 HB2 LEU 28 9.818 5.102 -0.706
268 2HB LEU 28 HB1 LEU 28 8.962 3.939 0.239
269 HG LEU 28 HG LEU 28 10.381 4.413 2.154
270 1HD1 LEU 28 HD11 LEU 28 11.584 6.838 1.579
271 2HD1 LEU 28 HD12 LEU 28 11.955 5.827 0.182
272 3HD1 LEU 28 HD13 LEU 28 12.392 5.286 1.803
273 1HD2 LEU 28 HD21 LEU 28 8.978 6.030 2.773
274 2HD2 LEU 28 HD22 LEU 28 8.357 5.983 1.124
275 3HD2 LEU 28 HD23 LEU 28 9.608 7.146 1.562
276 H LYS 29 HN LYS 29 11.341 2.790 1.935
277 HA LYS 29 HA LYS 29 13.888 3.974 2.212
278 1HB LYS 29 HB2 LYS 29 13.922 3.115 4.443
279 2HB LYS 29 HB1 LYS 29 12.276 3.626 4.106
280 1HG LYS 29 HG2 LYS 29 11.598 1.334 3.750
281 2HG LYS 29 HG1 LYS 29 13.261 0.783 3.964
282 1HD LYS 29 HD2 LYS 29 11.660 2.235 6.066
283 2HD LYS 29 HD1 LYS 29 11.833 0.481 5.978
284 1HE LYS 29 HE2 LYS 29 13.726 0.628 7.127
285 2HE LYS 29 HE1 LYS 29 14.430 1.583 5.823
286 1HZ LYS 29 HZ1 LYS 29 14.148 2.479 8.304
287 2HZ LYS 29 HZ2 LYS 29 12.681 3.012 7.653
288 3HZ LYS 29 HZ3 LYS 29 14.142 3.495 6.951
289 H ARG 30 HN ARG 30 12.708 1.009 1.160
290 HA ARG 30 HA ARG 30 15.158 -0.441 1.402
291 1HB ARG 30 HB2 ARG 30 12.416 -0.909 0.395
292 2HB ARG 30 HB1 ARG 30 13.670 -1.972 -0.179
293 1HG ARG 30 HG2 ARG 30 13.798 -1.602 2.669
294 2HG ARG 30 HG1 ARG 30 12.210 -2.156 2.164
295 1HD ARG 30 HD2 ARG 30 13.067 -4.124 1.214
296 2HD ARG 30 HD1 ARG 30 14.711 -3.489 1.179
297 HE ARG 30 HE ARG 30 13.747 -3.680 3.842
298 1HH1 ARG 30 1HH1 ARG 30 14.987 -5.606 1.209
299 2HH1 ARG 30 2HH1 ARG 30 15.613 -6.844 2.245
300 1HH2 ARG 30 1HH2 ARG 30 14.569 -5.306 5.205
301 2HH2 ARG 30 2HH2 ARG 30 15.375 -6.674 4.515
302 H TRP 31 HN TRP 31 13.380 1.459 -0.839
303 HA TRP 31 HA TRP 31 14.759 0.886 -3.206
304 1HB TRP 31 HB2 TRP 31 12.498 2.296 -2.327
305 2HB TRP 31 HB1 TRP 31 13.510 3.427 -3.132
306 HD1 TRP 31 HD1 TRP 31 11.430 0.505 -3.727
307 HE1 TRP 31 HE1 TRP 31 11.267 0.074 -6.253
308 HE3 TRP 31 HE3 TRP 31 14.864 3.674 -5.017
309 HZ2 TRP 31 HZ2 TRP 31 12.560 1.076 -8.569
310 HZ3 TRP 31 HZ3 TRP 31 15.483 4.004 -7.434
311 HH2 TRP 31 HH2 TRP 31 14.334 2.702 -9.180
312 H ARG 32 HN ARG 32 14.757 3.339 -0.608
313 HA ARG 32 HA ARG 32 16.778 5.017 -1.611
314 1HB ARG 32 HB2 ARG 32 15.936 4.186 1.132
315 2HB ARG 32 HB1 ARG 32 17.036 5.536 0.829
316 1HG ARG 32 HG2 ARG 32 15.296 6.660 -0.437
317 2HG ARG 32 HG1 ARG 32 14.211 5.313 -0.177
318 1HD ARG 32 HD2 ARG 32 13.724 7.113 1.369
319 2HD ARG 32 HD1 ARG 32 14.292 5.674 2.208
320 HE ARG 32 HE ARG 32 16.375 7.565 1.625
321 1HH1 ARG 32 1HH1 ARG 32 13.887 6.666 3.902
322 2HH1 ARG 32 2HH1 ARG 32 14.651 7.459 5.239
323 1HH2 ARG 32 1HH2 ARG 32 17.379 8.609 3.383
324 2HH2 ARG 32 2HH2 ARG 32 16.633 8.562 4.945
325 H LEU 33 HN LEU 33 16.791 2.371 0.635
326 HA LEU 33 HA LEU 33 19.452 2.005 1.182
327 1HB LEU 33 HB2 LEU 33 16.910 0.482 1.171
328 2HB LEU 33 HB1 LEU 33 18.362 -0.384 1.482
329 HG LEU 33 HG LEU 33 16.797 0.923 3.287
330 1HD1 LEU 33 HD11 LEU 33 18.153 -0.018 4.857
331 2HD1 LEU 33 HD12 LEU 33 19.628 0.497 4.039
332 3HD1 LEU 33 HD13 LEU 33 18.730 -0.898 3.442
333 1HD2 LEU 33 HD21 LEU 33 19.328 2.496 3.136
334 2HD2 LEU 33 HD22 LEU 33 17.872 2.835 4.075
335 3HD2 LEU 33 HD23 LEU 33 17.852 3.003 2.316
336 H PHE 34 HN PHE 34 17.365 0.780 -1.230
337 HA PHE 34 HA PHE 34 19.199 -1.043 -2.411
338 1HB PHE 34 HB2 PHE 34 16.513 -0.128 -2.876
339 2HB PHE 34 HB1 PHE 34 17.356 -0.508 -4.346
340 HD1 PHE 34 HD1 PHE 34 17.877 -1.940 -1.085
341 HD2 PHE 34 HD2 PHE 34 16.271 -2.492 -4.957
342 HE1 PHE 34 HE1 PHE 34 17.576 -4.320 -0.607
343 HE2 PHE 34 HE2 PHE 34 15.948 -4.871 -4.506
344 HZ PHE 34 HZ PHE 34 16.599 -5.819 -2.316
345 H SER 35 HN SER 35 18.537 2.208 -2.467
346 HA SER 35 HA SER 35 20.086 2.655 -4.955
347 1HB SER 35 HB2 SER 35 17.903 4.045 -3.933
348 2HB SER 35 HB1 SER 35 19.276 5.112 -3.640
349 HG SER 35 HG SER 35 18.435 5.482 -5.694
350 H LYS 36 HN LYS 36 20.438 2.931 -1.488
351 HA LYS 36 HA LYS 36 22.773 4.620 -1.701
352 1HB LYS 36 HB2 LYS 36 22.014 3.064 0.744
353 2HB LYS 36 HB1 LYS 36 22.909 4.569 0.651
354 1HG LYS 36 HG2 LYS 36 19.986 4.077 0.469
355 2HG LYS 36 HG1 LYS 36 20.867 5.225 1.467
356 1HD LYS 36 HD2 LYS 36 21.344 6.608 -0.460
357 2HD LYS 36 HD1 LYS 36 20.587 5.431 -1.533
358 1HE LYS 36 HE2 LYS 36 18.459 5.966 -0.845
359 2HE LYS 36 HE1 LYS 36 19.002 6.566 0.721
360 1HZ LYS 36 HZ1 LYS 36 19.717 7.975 -1.772
361 2HZ LYS 36 HZ2 LYS 36 19.663 8.577 -0.194
362 3HZ LYS 36 HZ3 LYS 36 18.225 8.248 -1.021
363 H HIS 37 HN HIS 37 22.041 1.287 -1.112
364 HA HIS 37 HA HIS 37 24.698 0.430 -0.622
365 1HB HIS 37 HB2 HIS 37 22.092 -0.761 -0.744
366 2HB HIS 37 HB1 HIS 37 23.215 -1.733 -1.674
367 HD1 HIS 37 HD1 HIS 37 24.320 -3.478 -0.317
368 HD2 HIS 37 HD2 HIS 37 23.330 -0.144 1.952
369 HE1 HIS 37 HE1 HIS 37 25.027 -4.031 2.033
370 HE2 HIS 37 HE2 HIS 37 24.507 -1.960 3.370
371 H GLU 38 HN GLU 38 22.740 0.684 -3.535
372 HA GLU 38 HA GLU 38 24.872 -0.471 -5.141
373 1HB GLU 38 HB2 GLU 38 21.988 0.103 -5.519
374 2HB GLU 38 HB1 GLU 38 23.003 0.195 -6.948
375 1HG GLU 38 HG2 GLU 38 23.592 -2.060 -6.820
376 2HG GLU 38 HG1 GLU 38 23.073 -2.187 -5.140
Start of MODEL 5
1 1H VAL 1 HT1 VAL 1 -26.286 -7.679 4.047
2 2H VAL 1 HT2 VAL 1 -24.813 -6.914 3.609
3 3H VAL 1 HT3 VAL 1 -26.069 -7.087 2.453
4 HA VAL 1 HA VAL 1 -27.337 -5.483 3.349
5 HB VAL 1 HB VAL 1 -26.900 -4.570 5.658
6 1HG1 VAL 1 HG11 VAL 1 -28.764 -5.835 5.770
7 2HG1 VAL 1 HG12 VAL 1 -27.722 -6.913 6.698
8 3HG1 VAL 1 HG13 VAL 1 -28.003 -7.219 4.984
9 1HG2 VAL 1 HG21 VAL 1 -24.920 -6.794 5.605
10 2HG2 VAL 1 HG22 VAL 1 -25.751 -6.434 7.118
11 3HG2 VAL 1 HG23 VAL 1 -24.793 -5.187 6.318
12 H MET 2 HN MET 2 -26.957 -3.180 3.562
13 HA MET 2 HA MET 2 -24.732 -2.297 2.130
14 1HB MET 2 HB2 MET 2 -27.081 -1.129 3.442
15 2HB MET 2 HB1 MET 2 -25.697 -0.066 3.373
16 1HG MET 2 HG2 MET 2 -25.584 -0.628 0.897
17 2HG MET 2 HG1 MET 2 -27.189 -1.323 1.113
18 1HE MET 2 HE1 MET 2 -27.658 0.123 -0.851
19 2HE MET 2 HE2 MET 2 -28.244 1.781 -0.725
20 3HE MET 2 HE3 MET 2 -29.149 0.466 0.026
21 HA PRO 3 HA PRO 3 -23.356 -0.267 6.495
22 1HB PRO 3 HB2 PRO 3 -24.032 -2.323 8.352
23 2HB PRO 3 HB1 PRO 3 -24.626 -0.671 8.309
24 1HG PRO 3 HG2 PRO 3 -25.861 -3.145 7.263
25 2HG PRO 3 HG1 PRO 3 -26.638 -1.666 7.858
26 1HD PRO 3 HD2 PRO 3 -26.581 -2.241 5.255
27 2HD PRO 3 HD1 PRO 3 -26.374 -0.569 5.820
28 H LYS 4 HN LYS 4 -23.472 -3.609 5.648
29 HA LYS 4 HA LYS 4 -20.787 -4.103 6.711
30 1HB LYS 4 HB2 LYS 4 -23.003 -5.840 5.689
31 2HB LYS 4 HB1 LYS 4 -21.368 -6.472 5.806
32 1HG LYS 4 HG2 LYS 4 -22.308 -5.128 8.230
33 2HG LYS 4 HG1 LYS 4 -23.225 -6.570 7.789
34 1HD LYS 4 HD2 LYS 4 -21.197 -7.889 7.741
35 2HD LYS 4 HD1 LYS 4 -20.221 -6.452 8.052
36 1HE LYS 4 HE2 LYS 4 -20.488 -7.716 10.094
37 2HE LYS 4 HE1 LYS 4 -21.352 -6.184 10.224
38 1HZ LYS 4 HZ1 LYS 4 -22.947 -8.366 9.210
39 2HZ LYS 4 HZ2 LYS 4 -23.310 -7.221 10.401
40 3HZ LYS 4 HZ3 LYS 4 -22.403 -8.592 10.796
41 H GLN 5 HN GLN 5 -22.363 -3.425 3.741
42 HA GLN 5 HA GLN 5 -20.253 -4.571 2.155
43 1HB GLN 5 HB2 GLN 5 -21.943 -4.739 0.677
44 2HB GLN 5 HB1 GLN 5 -22.969 -3.853 1.784
45 1HG GLN 5 HG2 GLN 5 -23.128 -2.615 -0.105
46 2HG GLN 5 HG1 GLN 5 -21.892 -1.753 0.772
47 1HE2 GLN 5 HE21 GLN 5 -19.855 -3.717 0.079
48 2HE2 GLN 5 HE22 GLN 5 -19.555 -3.490 -1.585
49 H ILE 6 HN ILE 6 -21.174 -1.488 3.423
50 HA ILE 6 HA ILE 6 -19.269 -0.112 1.757
51 HB ILE 6 HB ILE 6 -19.881 1.832 3.321
52 1HG1 ILE 6 HG12 ILE 6 -22.106 1.756 4.259
53 2HG1 ILE 6 HG11 ILE 6 -22.300 0.096 3.775
54 1HG2 ILE 6 HG21 ILE 6 -21.713 2.411 1.859
55 2HG2 ILE 6 HG22 ILE 6 -21.872 0.717 1.385
56 3HG2 ILE 6 HG23 ILE 6 -20.413 1.620 0.963
57 1HD1 ILE 6 HD11 ILE 6 -20.953 -0.672 5.442
58 2HD1 ILE 6 HD12 ILE 6 -21.619 0.759 6.221
59 3HD1 ILE 6 HD13 ILE 6 -20.003 0.806 5.510
60 H VAL 7 HN VAL 7 -19.554 -1.534 4.887
61 HA VAL 7 HA VAL 7 -17.291 -0.269 6.091
62 HB VAL 7 HB VAL 7 -19.369 -1.466 7.197
63 1HG1 VAL 7 HG11 VAL 7 -17.412 -3.753 7.050
64 2HG1 VAL 7 HG12 VAL 7 -18.930 -3.662 6.158
65 3HG1 VAL 7 HG13 VAL 7 -18.946 -3.730 7.920
66 1HG2 VAL 7 HG21 VAL 7 -18.212 -1.506 9.206
67 2HG2 VAL 7 HG22 VAL 7 -17.362 -0.325 8.211
68 3HG2 VAL 7 HG23 VAL 7 -16.694 -1.943 8.422
69 H TYR 8 HN TYR 8 -18.116 -3.193 4.413
70 HA TYR 8 HA TYR 8 -15.692 -4.641 4.560
71 1HB TYR 8 HB2 TYR 8 -18.154 -5.010 3.349
72 2HB TYR 8 HB1 TYR 8 -17.070 -4.784 1.981
73 HD1 TYR 8 HD1 TYR 8 -16.554 -6.331 5.294
74 HD2 TYR 8 HD2 TYR 8 -16.610 -6.885 1.097
75 HE1 TYR 8 HE1 TYR 8 -15.680 -8.501 5.594
76 HE2 TYR 8 HE2 TYR 8 -15.744 -9.115 1.377
77 HH TYR 8 HH TYR 8 -14.355 -10.365 3.149
78 H TRP 9 HN TRP 9 -17.083 -2.328 2.299
79 HA TRP 9 HA TRP 9 -14.940 -2.117 0.469
80 1HB TRP 9 HB2 TRP 9 -17.358 -0.591 1.201
81 2HB TRP 9 HB1 TRP 9 -16.038 0.409 0.593
82 HD1 TRP 9 HD1 TRP 9 -18.856 -1.487 -0.596
83 HE1 TRP 9 HE1 TRP 9 -18.577 -1.883 -3.156
84 HE3 TRP 9 HE3 TRP 9 -14.083 -0.217 -1.035
85 HZ2 TRP 9 HZ2 TRP 9 -16.568 -1.664 -5.082
86 HZ3 TRP 9 HZ3 TRP 9 -12.985 -0.300 -3.242
87 HH2 TRP 9 HH2 TRP 9 -14.237 -1.024 -5.226
88 H LYS 10 HN LYS 10 -16.034 0.019 2.908
89 HA LYS 10 HA LYS 10 -13.954 1.780 3.159
90 1HB LYS 10 HB2 LYS 10 -16.008 2.199 4.281
91 2HB LYS 10 HB1 LYS 10 -15.898 0.698 5.184
92 1HG LYS 10 HG2 LYS 10 -13.626 2.012 5.932
93 2HG LYS 10 HG1 LYS 10 -14.801 3.315 5.770
94 1HD LYS 10 HD2 LYS 10 -16.328 2.150 7.259
95 2HD LYS 10 HD1 LYS 10 -15.204 0.793 7.374
96 1HE LYS 10 HE2 LYS 10 -14.620 1.898 9.276
97 2HE LYS 10 HE1 LYS 10 -13.555 2.728 8.142
98 1HZ LYS 10 HZ1 LYS 10 -15.230 4.478 7.939
99 2HZ LYS 10 HZ2 LYS 10 -14.702 4.309 9.536
100 3HZ LYS 10 HZ3 LYS 10 -16.206 3.690 9.074
101 H GLN 11 HN GLN 11 -14.372 -1.273 4.949
102 HA GLN 11 HA GLN 11 -11.851 -0.958 6.281
103 1HB GLN 11 HB2 GLN 11 -12.301 -3.031 7.317
104 2HB GLN 11 HB1 GLN 11 -13.866 -2.260 7.155
105 1HG GLN 11 HG2 GLN 11 -14.387 -3.624 5.242
106 2HG GLN 11 HG1 GLN 11 -12.776 -4.312 5.255
107 1HE2 GLN 11 HE21 GLN 11 -13.409 -4.111 8.456
108 2HE2 GLN 11 HE22 GLN 11 -14.172 -5.638 8.699
109 H TRP 12 HN TRP 12 -12.421 -1.463 3.204
110 HA TRP 12 HA TRP 12 -10.146 -3.294 2.816
111 1HB TRP 12 HB2 TRP 12 -12.435 -3.826 1.807
112 2HB TRP 12 HB1 TRP 12 -12.170 -2.516 0.721
113 HD1 TRP 12 HD1 TRP 12 -11.407 -6.047 1.187
114 HE1 TRP 12 HE1 TRP 12 -9.740 -6.812 -0.600
115 HE3 TRP 12 HE3 TRP 12 -10.235 -1.569 -0.539
116 HZ2 TRP 12 HZ2 TRP 12 -8.119 -5.597 -2.569
117 HZ3 TRP 12 HZ3 TRP 12 -8.604 -1.331 -2.418
118 HH2 TRP 12 HH2 TRP 12 -7.559 -3.358 -3.415
119 H LEU 13 HN LEU 13 -11.495 -0.122 1.912
120 HA LEU 13 HA LEU 13 -9.011 0.456 0.482
121 1HB LEU 13 HB2 LEU 13 -11.581 2.038 0.701
122 2HB LEU 13 HB1 LEU 13 -10.176 2.533 -0.223
123 HG LEU 13 HG LEU 13 -11.746 0.015 -0.770
124 1HD1 LEU 13 HD11 LEU 13 -12.320 1.528 -2.865
125 2HD1 LEU 13 HD12 LEU 13 -12.102 2.816 -1.680
126 3HD1 LEU 13 HD13 LEU 13 -13.301 1.555 -1.400
127 1HD2 LEU 13 HD21 LEU 13 -9.903 1.430 -2.658
128 2HD2 LEU 13 HD22 LEU 13 -10.444 -0.249 -2.673
129 3HD2 LEU 13 HD23 LEU 13 -9.272 0.287 -1.470
130 H SER 14 HN SER 14 -10.358 0.805 3.548
131 HA SER 14 HA SER 14 -9.008 3.289 4.125
132 1HB SER 14 HB2 SER 14 -11.184 2.065 5.277
133 2HB SER 14 HB1 SER 14 -9.908 1.693 6.423
134 HG SER 14 HG SER 14 -10.501 4.294 5.458
135 H LEU 15 HN LEU 15 -8.692 -0.113 4.913
136 HA LEU 15 HA LEU 15 -6.211 0.299 6.278
137 1HB LEU 15 HB2 LEU 15 -7.574 -2.263 5.476
138 2HB LEU 15 HB1 LEU 15 -6.285 -2.076 6.647
139 HG LEU 15 HG LEU 15 -8.126 -2.257 8.022
140 1HD1 LEU 15 HD11 LEU 15 -8.050 0.698 7.439
141 2HD1 LEU 15 HD12 LEU 15 -6.920 -0.149 8.501
142 3HD1 LEU 15 HD13 LEU 15 -8.633 -0.064 8.921
143 1HD2 LEU 15 HD21 LEU 15 -10.119 -2.257 7.067
144 2HD2 LEU 15 HD22 LEU 15 -9.445 -1.457 5.637
145 3HD2 LEU 15 HD23 LEU 15 -10.061 -0.494 6.988
146 H ARG 16 HN ARG 16 -7.211 -1.605 3.475
147 HA ARG 16 HA ARG 16 -4.735 -2.351 2.557
148 1HB ARG 16 HB2 ARG 16 -7.240 -1.677 1.103
149 2HB ARG 16 HB1 ARG 16 -5.811 -2.092 0.197
150 1HG ARG 16 HG2 ARG 16 -7.296 -3.805 2.172
151 2HG ARG 16 HG1 ARG 16 -7.151 -4.049 0.431
152 1HD ARG 16 HD2 ARG 16 -4.738 -4.409 0.693
153 2HD ARG 16 HD1 ARG 16 -4.899 -4.181 2.434
154 HE ARG 16 HE ARG 16 -5.601 -6.338 2.593
155 1HH1 ARG 16 1HH1 ARG 16 -6.077 -5.282 -0.699
156 2HH1 ARG 16 2HH1 ARG 16 -6.593 -6.839 -1.255
157 1HH2 ARG 16 1HH2 ARG 16 -6.275 -8.385 1.863
158 2HH2 ARG 16 2HH2 ARG 16 -6.705 -8.600 0.200
159 H ASN 17 HN ASN 17 -6.191 0.735 2.403
160 HA ASN 17 HA ASN 17 -4.637 1.979 0.467
161 1HB ASN 17 HB2 ASN 17 -6.499 2.691 2.538
162 2HB ASN 17 HB1 ASN 17 -5.259 3.873 2.408
163 1HD2 ASN 17 HD21 ASN 17 -7.396 4.978 1.853
164 2HD2 ASN 17 HD22 ASN 17 -7.734 5.093 0.170
165 HA PRO 18 HA PRO 18 -1.739 3.802 3.836
166 1HB PRO 18 HB2 PRO 18 -1.981 2.584 6.317
167 2HB PRO 18 HB1 PRO 18 -2.557 4.200 5.895
168 1HG PRO 18 HG2 PRO 18 -4.027 1.616 5.921
169 2HG PRO 18 HG1 PRO 18 -4.569 3.222 6.437
170 1HD PRO 18 HD2 PRO 18 -5.349 2.249 4.107
171 2HD PRO 18 HD1 PRO 18 -4.875 3.949 4.244
172 H ILE 19 HN ILE 19 -2.789 0.561 3.736
173 HA ILE 19 HA ILE 19 -0.292 -0.606 4.572
174 HB ILE 19 HB ILE 19 -2.629 -1.848 3.135
175 1HG1 ILE 19 HG12 ILE 19 -1.745 -1.677 6.000
176 2HG1 ILE 19 HG11 ILE 19 -3.311 -1.290 5.317
177 1HG2 ILE 19 HG21 ILE 19 -0.188 -3.184 4.297
178 2HG2 ILE 19 HG22 ILE 19 -0.610 -3.083 2.588
179 3HG2 ILE 19 HG23 ILE 19 -1.617 -4.020 3.691
180 1HD1 ILE 19 HD11 ILE 19 -3.054 -3.963 4.762
181 2HD1 ILE 19 HD12 ILE 19 -3.964 -3.260 6.099
182 3HD1 ILE 19 HD13 ILE 19 -2.305 -3.803 6.350
183 H LEU 20 HN LEU 20 -1.673 0.318 1.552
184 HA LEU 20 HA LEU 20 0.245 -0.961 -0.127
185 1HB LEU 20 HB2 LEU 20 -1.464 1.464 -0.720
186 2HB LEU 20 HB1 LEU 20 -0.574 0.528 -1.904
187 HG LEU 20 HG LEU 20 -3.192 0.031 -0.694
188 1HD1 LEU 20 HD11 LEU 20 -3.753 -0.514 -2.806
189 2HD1 LEU 20 HD12 LEU 20 -2.262 -1.415 -3.086
190 3HD1 LEU 20 HD13 LEU 20 -2.262 0.345 -3.193
191 1HD2 LEU 20 HD21 LEU 20 -1.277 -2.266 -1.085
192 2HD2 LEU 20 HD22 LEU 20 -3.010 -2.411 -0.787
193 3HD2 LEU 20 HD23 LEU 20 -1.956 -1.724 0.451
194 H VAL 21 HN VAL 21 -0.233 2.195 1.250
195 HA VAL 21 HA VAL 21 1.941 3.602 0.296
196 HB VAL 21 HB VAL 21 0.299 3.533 2.753
197 1HG1 VAL 21 HG11 VAL 21 2.548 3.960 3.495
198 2HG1 VAL 21 HG12 VAL 21 1.519 5.384 3.714
199 3HG1 VAL 21 HG13 VAL 21 2.674 5.318 2.378
200 1HG2 VAL 21 HG21 VAL 21 -0.598 4.542 0.749
201 2HG2 VAL 21 HG22 VAL 21 0.774 5.655 0.669
202 3HG2 VAL 21 HG23 VAL 21 -0.374 5.761 2.008
203 H PHE 22 HN PHE 22 1.440 1.749 3.221
204 HA PHE 22 HA PHE 22 3.943 1.887 4.403
205 1HB PHE 22 HB2 PHE 22 2.478 0.953 5.840
206 2HB PHE 22 HB1 PHE 22 1.492 0.326 4.545
207 HD1 PHE 22 HD1 PHE 22 1.277 -1.791 4.345
208 HD2 PHE 22 HD2 PHE 22 4.791 -0.224 6.023
209 HE1 PHE 22 HE1 PHE 22 2.077 -4.091 4.748
210 HE2 PHE 22 HE2 PHE 22 5.644 -2.484 6.437
211 HZ PHE 22 HZ PHE 22 4.282 -4.437 5.778
212 H LEU 23 HN LEU 23 2.690 0.019 1.800
213 HA LEU 23 HA LEU 23 4.981 -1.811 1.600
214 1HB LEU 23 HB2 LEU 23 2.578 -1.264 -0.123
215 2HB LEU 23 HB1 LEU 23 3.921 -2.186 -0.763
216 HG LEU 23 HG LEU 23 1.819 -3.321 0.375
217 1HD1 LEU 23 HD11 LEU 23 3.214 -4.876 -0.480
218 2HD1 LEU 23 HD12 LEU 23 3.702 -5.067 1.204
219 3HD1 LEU 23 HD13 LEU 23 4.656 -4.056 0.118
220 1HD2 LEU 23 HD21 LEU 23 2.821 -1.963 2.488
221 2HD2 LEU 23 HD22 LEU 23 3.550 -3.558 2.708
222 3HD2 LEU 23 HD23 LEU 23 1.795 -3.397 2.601
223 H LYS 24 HN LYS 24 3.878 1.101 0.309
224 HA LYS 24 HA LYS 24 5.658 1.379 -1.852
225 1HB LYS 24 HB2 LYS 24 3.468 2.732 -0.645
226 2HB LYS 24 HB1 LYS 24 4.709 3.894 -0.972
227 1HG LYS 24 HG2 LYS 24 3.948 3.938 -3.060
228 2HG LYS 24 HG1 LYS 24 4.563 2.292 -3.225
229 1HD LYS 24 HD2 LYS 24 2.294 1.735 -1.980
230 2HD LYS 24 HD1 LYS 24 1.794 3.235 -2.772
231 1HE LYS 24 HE2 LYS 24 1.285 1.818 -4.465
232 2HE LYS 24 HE1 LYS 24 2.994 2.025 -4.839
233 1HZ LYS 24 HZ1 LYS 24 2.109 -0.131 -3.033
234 2HZ LYS 24 HZ2 LYS 24 3.521 -0.033 -3.957
235 3HZ LYS 24 HZ3 LYS 24 2.038 -0.336 -4.711
236 H THR 25 HN THR 25 5.555 2.577 1.407
237 HA THR 25 HA THR 25 7.935 4.087 1.265
238 HB THR 25 HB THR 25 6.340 4.727 2.906
239 HG1 THR 25 HG1 THR 25 7.551 4.483 4.852
240 1HG2 THR 25 HG21 THR 25 5.265 3.399 4.417
241 2HG2 THR 25 HG22 THR 25 6.547 2.189 4.431
242 3HG2 THR 25 HG23 THR 25 5.437 2.281 3.061
243 H ARG 26 HN ARG 26 7.088 0.874 2.558
244 HA ARG 26 HA ARG 26 9.578 0.210 3.635
245 1HB ARG 26 HB2 ARG 26 7.404 -1.402 2.332
246 2HB ARG 26 HB1 ARG 26 8.841 -2.174 2.997
247 1HG ARG 26 HG2 ARG 26 6.658 -0.714 4.434
248 2HG ARG 26 HG1 ARG 26 7.249 -2.347 4.689
249 1HD ARG 26 HD2 ARG 26 8.740 0.197 5.288
250 2HD ARG 26 HD1 ARG 26 7.950 -0.834 6.478
251 HE ARG 26 HE ARG 26 10.447 -1.368 5.081
252 1HH1 ARG 26 1HH1 ARG 26 7.927 -2.579 7.176
253 2HH1 ARG 26 2HH1 ARG 26 8.897 -3.868 7.800
254 1HH2 ARG 26 1HH2 ARG 26 11.718 -3.066 5.902
255 2HH2 ARG 26 2HH2 ARG 26 11.046 -4.145 7.078
256 H VAL 27 HN VAL 27 8.315 -0.021 0.403
257 HA VAL 27 HA VAL 27 10.570 -1.258 -0.829
258 HB VAL 27 HB VAL 27 7.970 -0.092 -1.596
259 1HG1 VAL 27 HG11 VAL 27 8.577 -0.286 -4.024
260 2HG1 VAL 27 HG12 VAL 27 10.264 -0.282 -3.507
261 3HG1 VAL 27 HG13 VAL 27 9.228 1.101 -3.152
262 1HG2 VAL 27 HG21 VAL 27 9.439 -2.605 -2.375
263 2HG2 VAL 27 HG22 VAL 27 7.792 -2.199 -2.861
264 3HG2 VAL 27 HG23 VAL 27 8.171 -2.459 -1.157
265 H LEU 28 HN LEU 28 9.688 1.914 0.074
266 HA LEU 28 HA LEU 28 11.296 3.345 -1.775
267 1HB LEU 28 HB2 LEU 28 10.017 5.066 -1.126
268 2HB LEU 28 HB1 LEU 28 9.054 3.884 -0.318
269 HG LEU 28 HG LEU 28 10.227 4.311 1.767
270 1HD1 LEU 28 HD11 LEU 28 12.271 5.181 1.689
271 2HD1 LEU 28 HD12 LEU 28 11.504 6.743 1.392
272 3HD1 LEU 28 HD13 LEU 28 12.045 5.751 0.036
273 1HD2 LEU 28 HD21 LEU 28 9.539 7.062 1.118
274 2HD2 LEU 28 HD22 LEU 28 8.787 5.943 2.254
275 3HD2 LEU 28 HD23 LEU 28 8.341 5.899 0.548
276 H LYS 29 HN LYS 29 11.201 2.690 1.633
277 HA LYS 29 HA LYS 29 13.705 3.853 2.229
278 1HB LYS 29 HB2 LYS 29 13.477 2.987 4.425
279 2HB LYS 29 HB1 LYS 29 11.857 3.417 3.904
280 1HG LYS 29 HG2 LYS 29 11.334 1.104 3.469
281 2HG LYS 29 HG1 LYS 29 12.993 0.630 3.845
282 1HD LYS 29 HD2 LYS 29 11.191 2.027 5.810
283 2HD LYS 29 HD1 LYS 29 11.304 0.271 5.686
284 1HE LYS 29 HE2 LYS 29 13.874 1.685 5.888
285 2HE LYS 29 HE1 LYS 29 12.843 1.796 7.314
286 1HZ LYS 29 HZ1 LYS 29 13.800 -0.152 7.821
287 2HZ LYS 29 HZ2 LYS 29 14.252 -0.486 6.226
288 3HZ LYS 29 HZ3 LYS 29 12.674 -0.809 6.742
289 H ARG 30 HN ARG 30 12.653 0.901 0.981
290 HA ARG 30 HA ARG 30 15.050 -0.574 1.446
291 1HB ARG 30 HB2 ARG 30 12.469 -0.946 0.050
292 2HB ARG 30 HB1 ARG 30 13.785 -1.979 -0.434
293 1HG ARG 30 HG2 ARG 30 13.548 -1.820 2.426
294 2HG ARG 30 HG1 ARG 30 12.033 -2.314 1.683
295 1HD ARG 30 HD2 ARG 30 12.887 -4.285 0.910
296 2HD ARG 30 HD1 ARG 30 14.511 -3.625 0.717
297 HE ARG 30 HE ARG 30 13.514 -5.033 2.964
298 1HH1 ARG 30 1HH1 ARG 30 15.609 -2.382 2.095
299 2HH1 ARG 30 2HH1 ARG 30 16.598 -2.535 3.508
300 1HH2 ARG 30 1HH2 ARG 30 14.810 -5.235 4.824
301 2HH2 ARG 30 2HH2 ARG 30 16.146 -4.157 5.058
302 H TRP 31 HN TRP 31 13.601 1.473 -0.899
303 HA TRP 31 HA TRP 31 15.332 1.046 -3.068
304 1HB TRP 31 HB2 TRP 31 12.937 2.372 -2.451
305 2HB TRP 31 HB1 TRP 31 14.029 3.564 -3.037
306 HD1 TRP 31 HD1 TRP 31 12.116 0.653 -4.080
307 HE1 TRP 31 HE1 TRP 31 12.332 0.353 -6.622
308 HE3 TRP 31 HE3 TRP 31 15.637 3.929 -4.692
309 HZ2 TRP 31 HZ2 TRP 31 13.929 1.492 -8.670
310 HZ3 TRP 31 HZ3 TRP 31 16.594 4.393 -6.974
311 HH2 TRP 31 HH2 TRP 31 15.738 3.171 -8.933
312 H ARG 32 HN ARG 32 14.926 3.273 -0.343
313 HA ARG 32 HA ARG 32 16.995 5.094 -0.864
314 1HB ARG 32 HB2 ARG 32 15.809 3.956 1.636
315 2HB ARG 32 HB1 ARG 32 16.802 5.416 1.602
316 1HG ARG 32 HG2 ARG 32 14.271 5.159 0.007
317 2HG ARG 32 HG1 ARG 32 14.281 5.714 1.659
318 1HD ARG 32 HD2 ARG 32 16.005 6.902 -0.458
319 2HD ARG 32 HD1 ARG 32 14.349 7.439 -0.207
320 HE ARG 32 HE ARG 32 14.977 8.401 1.828
321 1HH1 ARG 32 1HH1 ARG 32 17.679 6.761 0.331
322 2HH1 ARG 32 2HH1 ARG 32 18.856 7.523 1.345
323 1HH2 ARG 32 1HH2 ARG 32 16.529 9.395 3.156
324 2HH2 ARG 32 2HH2 ARG 32 18.206 9.015 2.947
325 H LEU 33 HN LEU 33 16.724 2.171 0.968
326 HA LEU 33 HA LEU 33 19.287 1.832 1.962
327 1HB LEU 33 HB2 LEU 33 16.830 0.272 1.402
328 2HB LEU 33 HB1 LEU 33 18.232 -0.580 1.901
329 HG LEU 33 HG LEU 33 16.321 0.534 3.483
330 1HD1 LEU 33 HD11 LEU 33 17.378 -0.576 5.142
331 2HD1 LEU 33 HD12 LEU 33 18.930 0.184 4.791
332 3HD1 LEU 33 HD13 LEU 33 18.381 -1.186 3.825
333 1HD2 LEU 33 HD21 LEU 33 17.175 2.399 4.610
334 2HD2 LEU 33 HD22 LEU 33 17.405 2.721 2.888
335 3HD2 LEU 33 HD23 LEU 33 18.769 2.200 3.877
336 H PHE 34 HN PHE 34 17.609 0.797 -0.834
337 HA PHE 34 HA PHE 34 19.673 -0.879 -1.879
338 1HB PHE 34 HB2 PHE 34 17.002 -0.087 -2.596
339 2HB PHE 34 HB1 PHE 34 18.031 -0.317 -3.980
340 HD1 PHE 34 HD1 PHE 34 18.226 -1.910 -0.757
341 HD2 PHE 34 HD2 PHE 34 17.213 -2.332 -4.838
342 HE1 PHE 34 HE1 PHE 34 18.041 -4.332 -0.445
343 HE2 PHE 34 HE2 PHE 34 17.009 -4.751 -4.559
344 HZ PHE 34 HZ PHE 34 17.422 -5.785 -2.351
345 H SER 35 HN SER 35 18.882 2.337 -1.804
346 HA SER 35 HA SER 35 20.634 3.011 -4.101
347 1HB SER 35 HB2 SER 35 18.325 4.276 -3.160
348 2HB SER 35 HB1 SER 35 19.645 5.345 -2.695
349 HG SER 35 HG SER 35 20.118 5.689 -4.750
350 H LYS 36 HN LYS 36 20.537 3.158 -0.613
351 HA LYS 36 HA LYS 36 22.858 4.842 -0.421
352 1HB LYS 36 HB2 LYS 36 22.480 4.886 1.827
353 2HB LYS 36 HB1 LYS 36 20.883 4.400 1.290
354 1HG LYS 36 HG2 LYS 36 21.239 2.158 1.930
355 2HG LYS 36 HG1 LYS 36 22.973 2.412 2.134
356 1HD LYS 36 HD2 LYS 36 21.736 2.301 4.280
357 2HD LYS 36 HD1 LYS 36 22.599 3.821 4.046
358 1HE LYS 36 HE2 LYS 36 19.796 3.728 3.109
359 2HE LYS 36 HE1 LYS 36 20.045 3.684 4.854
360 1HZ LYS 36 HZ1 LYS 36 21.579 5.683 3.416
361 2HZ LYS 36 HZ2 LYS 36 20.757 5.802 4.890
362 3HZ LYS 36 HZ3 LYS 36 19.905 5.931 3.434
363 H HIS 37 HN HIS 37 22.246 1.505 -0.719
364 HA HIS 37 HA HIS 37 24.714 0.542 0.300
365 1HB HIS 37 HB2 HIS 37 23.488 -1.303 0.213
366 2HB HIS 37 HB1 HIS 37 22.260 -0.538 -0.730
367 HD1 HIS 37 HD1 HIS 37 25.132 -2.887 -1.001
368 HD2 HIS 37 HD2 HIS 37 22.360 -1.013 -3.454
369 HE1 HIS 37 HE1 HIS 37 25.254 -4.110 -3.197
370 HE2 HIS 37 HE2 HIS 37 23.480 -3.037 -4.632
371 H GLU 38 HN GLU 38 23.423 0.698 -2.977
372 HA GLU 38 HA GLU 38 26.150 0.679 -4.040
373 1HB GLU 38 HB2 GLU 38 25.191 0.142 -6.185
374 2HB GLU 38 HB1 GLU 38 24.497 -0.926 -4.976
375 1HG GLU 38 HG2 GLU 38 22.450 -0.279 -5.506
376 2HG GLU 38 HG1 GLU 38 22.867 1.412 -5.233
Start of MODEL 6
1 1H VAL 1 HT1 VAL 1 -27.800 -7.786 3.083
2 2H VAL 1 HT2 VAL 1 -27.188 -6.544 2.069
3 3H VAL 1 HT3 VAL 1 -28.880 -6.812 2.177
4 HA VAL 1 HA VAL 1 -29.067 -5.876 4.187
5 HB VAL 1 HB VAL 1 -27.096 -5.485 5.687
6 1HG1 VAL 1 HG11 VAL 1 -26.788 -8.170 5.923
7 2HG1 VAL 1 HG12 VAL 1 -28.280 -8.079 4.985
8 3HG1 VAL 1 HG13 VAL 1 -28.168 -7.264 6.546
9 1HG2 VAL 1 HG21 VAL 1 -25.464 -5.726 3.720
10 2HG2 VAL 1 HG22 VAL 1 -25.619 -7.464 3.984
11 3HG2 VAL 1 HG23 VAL 1 -25.000 -6.428 5.270
12 H MET 2 HN MET 2 -28.444 -3.685 5.038
13 HA MET 2 HA MET 2 -28.007 -1.933 2.854
14 1HB MET 2 HB2 MET 2 -28.795 -1.750 5.685
15 2HB MET 2 HB1 MET 2 -27.972 -0.348 5.045
16 1HG MET 2 HG2 MET 2 -30.367 -1.611 3.770
17 2HG MET 2 HG1 MET 2 -30.453 -0.267 4.907
18 1HE MET 2 HE1 MET 2 -31.793 1.159 3.295
19 2HE MET 2 HE2 MET 2 -30.904 2.345 2.339
20 3HE MET 2 HE3 MET 2 -30.574 2.175 4.063
21 HA PRO 3 HA PRO 3 -23.846 -0.962 4.885
22 1HB PRO 3 HB2 PRO 3 -23.377 -1.336 7.434
23 2HB PRO 3 HB1 PRO 3 -24.747 -0.308 7.010
24 1HG PRO 3 HG2 PRO 3 -24.749 -3.222 7.709
25 2HG PRO 3 HG1 PRO 3 -25.721 -1.920 8.436
26 1HD PRO 3 HD2 PRO 3 -26.601 -3.535 6.366
27 2HD PRO 3 HD1 PRO 3 -27.212 -1.899 6.683
28 H LYS 4 HN LYS 4 -22.034 -2.432 6.606
29 HA LYS 4 HA LYS 4 -20.686 -4.246 6.680
30 1HB LYS 4 HB2 LYS 4 -22.965 -5.373 7.052
31 2HB LYS 4 HB1 LYS 4 -22.853 -5.864 5.367
32 1HG LYS 4 HG2 LYS 4 -21.740 -7.649 6.062
33 2HG LYS 4 HG1 LYS 4 -20.398 -6.572 6.451
34 1HD LYS 4 HD2 LYS 4 -22.475 -6.622 8.503
35 2HD LYS 4 HD1 LYS 4 -21.725 -8.197 8.229
36 1HE LYS 4 HE2 LYS 4 -20.246 -7.386 9.746
37 2HE LYS 4 HE1 LYS 4 -19.520 -6.706 8.291
38 1HZ LYS 4 HZ1 LYS 4 -20.546 -4.620 8.721
39 2HZ LYS 4 HZ2 LYS 4 -19.786 -5.107 10.151
40 3HZ LYS 4 HZ3 LYS 4 -21.464 -5.250 9.995
41 H GLN 5 HN GLN 5 -22.251 -3.453 3.661
42 HA GLN 5 HA GLN 5 -20.187 -4.839 2.164
43 1HB GLN 5 HB2 GLN 5 -21.865 -5.128 0.691
44 2HB GLN 5 HB1 GLN 5 -22.911 -4.174 1.722
45 1HG GLN 5 HG2 GLN 5 -23.073 -3.058 -0.238
46 2HG GLN 5 HG1 GLN 5 -21.806 -2.145 0.539
47 1HE2 GLN 5 HE21 GLN 5 -19.782 -4.099 0.013
48 2HE2 GLN 5 HE22 GLN 5 -19.513 -4.067 -1.672
49 H ILE 6 HN ILE 6 -21.158 -1.722 3.197
50 HA ILE 6 HA ILE 6 -19.289 -0.353 1.499
51 HB ILE 6 HB ILE 6 -20.005 1.619 3.020
52 1HG1 ILE 6 HG12 ILE 6 -22.268 1.477 3.880
53 2HG1 ILE 6 HG11 ILE 6 -22.385 -0.203 3.424
54 1HG2 ILE 6 HG21 ILE 6 -21.815 2.088 1.487
55 2HG2 ILE 6 HG22 ILE 6 -21.877 0.380 1.041
56 3HG2 ILE 6 HG23 ILE 6 -20.449 1.342 0.653
57 1HD1 ILE 6 HD11 ILE 6 -20.136 0.498 5.189
58 2HD1 ILE 6 HD12 ILE 6 -21.229 -0.887 5.238
59 3HD1 ILE 6 HD13 ILE 6 -21.749 0.668 5.883
60 H VAL 7 HN VAL 7 -19.597 -1.657 4.682
61 HA VAL 7 HA VAL 7 -17.398 -0.280 5.882
62 HB VAL 7 HB VAL 7 -19.498 -1.503 6.959
63 1HG1 VAL 7 HG11 VAL 7 -17.415 -3.682 7.040
64 2HG1 VAL 7 HG12 VAL 7 -18.895 -3.727 6.081
65 3HG1 VAL 7 HG13 VAL 7 -18.986 -3.692 7.842
66 1HG2 VAL 7 HG21 VAL 7 -18.359 -1.488 9.040
67 2HG2 VAL 7 HG22 VAL 7 -17.732 -0.170 8.051
68 3HG2 VAL 7 HG23 VAL 7 -16.796 -1.650 8.243
69 H TYR 8 HN TYR 8 -18.108 -3.303 4.344
70 HA TYR 8 HA TYR 8 -15.667 -4.682 4.630
71 1HB TYR 8 HB2 TYR 8 -18.116 -4.928 3.106
72 2HB TYR 8 HB1 TYR 8 -16.718 -5.287 2.099
73 HD1 TYR 8 HD1 TYR 8 -14.871 -6.434 3.999
74 HD2 TYR 8 HD2 TYR 8 -19.049 -7.006 3.629
75 HE1 TYR 8 HE1 TYR 8 -14.656 -8.517 5.084
76 HE2 TYR 8 HE2 TYR 8 -18.854 -9.148 4.712
77 HH TYR 8 HH TYR 8 -17.030 -10.904 5.070
78 H TRP 9 HN TRP 9 -17.053 -2.539 2.205
79 HA TRP 9 HA TRP 9 -14.888 -2.383 0.403
80 1HB TRP 9 HB2 TRP 9 -17.363 -0.903 1.002
81 2HB TRP 9 HB1 TRP 9 -16.064 0.120 0.390
82 HD1 TRP 9 HD1 TRP 9 -18.757 -1.983 -0.770
83 HE1 TRP 9 HE1 TRP 9 -18.413 -2.449 -3.311
84 HE3 TRP 9 HE3 TRP 9 -14.072 -0.422 -1.188
85 HZ2 TRP 9 HZ2 TRP 9 -16.392 -2.167 -5.217
86 HZ3 TRP 9 HZ3 TRP 9 -12.934 -0.508 -3.378
87 HH2 TRP 9 HH2 TRP 9 -14.105 -1.381 -5.352
88 H LYS 10 HN LYS 10 -16.085 -0.151 2.712
89 HA LYS 10 HA LYS 10 -14.053 1.679 2.900
90 1HB LYS 10 HB2 LYS 10 -16.119 2.118 3.980
91 2HB LYS 10 HB1 LYS 10 -16.011 0.653 4.942
92 1HG LYS 10 HG2 LYS 10 -13.753 2.104 5.614
93 2HG LYS 10 HG1 LYS 10 -15.044 3.297 5.502
94 1HD LYS 10 HD2 LYS 10 -16.299 1.323 6.858
95 2HD LYS 10 HD1 LYS 10 -14.644 1.106 7.429
96 1HE LYS 10 HE2 LYS 10 -14.544 3.313 8.270
97 2HE LYS 10 HE1 LYS 10 -16.013 3.784 7.416
98 1HZ LYS 10 HZ1 LYS 10 -15.705 2.408 9.944
99 2HZ LYS 10 HZ2 LYS 10 -16.909 1.778 8.937
100 3HZ LYS 10 HZ3 LYS 10 -16.959 3.404 9.397
101 H GLN 11 HN GLN 11 -14.427 -1.268 4.868
102 HA GLN 11 HA GLN 11 -11.933 -0.828 6.206
103 1HB GLN 11 HB2 GLN 11 -12.346 -2.858 7.342
104 2HB GLN 11 HB1 GLN 11 -13.924 -2.127 7.127
105 1HG GLN 11 HG2 GLN 11 -14.401 -3.598 5.284
106 2HG GLN 11 HG1 GLN 11 -12.777 -4.255 5.345
107 1HE2 GLN 11 HE21 GLN 11 -13.425 -3.908 8.525
108 2HE2 GLN 11 HE22 GLN 11 -14.171 -5.431 8.841
109 H TRP 12 HN TRP 12 -12.447 -1.519 3.152
110 HA TRP 12 HA TRP 12 -10.124 -3.313 2.891
111 1HB TRP 12 HB2 TRP 12 -12.377 -3.961 1.881
112 2HB TRP 12 HB1 TRP 12 -12.137 -2.699 0.736
113 HD1 TRP 12 HD1 TRP 12 -11.259 -6.175 1.391
114 HE1 TRP 12 HE1 TRP 12 -9.547 -6.971 -0.338
115 HE3 TRP 12 HE3 TRP 12 -10.232 -1.754 -0.559
116 HZ2 TRP 12 HZ2 TRP 12 -7.952 -5.802 -2.355
117 HZ3 TRP 12 HZ3 TRP 12 -8.594 -1.554 -2.434
118 HH2 TRP 12 HH2 TRP 12 -7.464 -3.591 -3.315
119 H LEU 13 HN LEU 13 -11.527 -0.227 1.804
120 HA LEU 13 HA LEU 13 -9.029 0.330 0.381
121 1HB LEU 13 HB2 LEU 13 -11.174 0.763 -0.781
122 2HB LEU 13 HB1 LEU 13 -11.607 1.911 0.470
123 HG LEU 13 HG LEU 13 -9.601 3.268 -0.174
124 1HD1 LEU 13 HD11 LEU 13 -8.189 2.687 -1.826
125 2HD1 LEU 13 HD12 LEU 13 -9.462 1.948 -2.799
126 3HD1 LEU 13 HD13 LEU 13 -8.746 1.054 -1.458
127 1HD2 LEU 13 HD21 LEU 13 -11.417 4.275 -1.062
128 2HD2 LEU 13 HD22 LEU 13 -11.998 2.798 -1.831
129 3HD2 LEU 13 HD23 LEU 13 -10.702 3.731 -2.579
130 H SER 14 HN SER 14 -10.439 0.817 3.399
131 HA SER 14 HA SER 14 -9.147 3.357 3.859
132 1HB SER 14 HB2 SER 14 -11.321 2.148 5.038
133 2HB SER 14 HB1 SER 14 -10.058 1.879 6.228
134 HG SER 14 HG SER 14 -9.635 4.229 5.935
135 H LEU 15 HN LEU 15 -8.777 0.008 4.835
136 HA LEU 15 HA LEU 15 -6.333 0.547 6.219
137 1HB LEU 15 HB2 LEU 15 -7.636 -2.080 5.546
138 2HB LEU 15 HB1 LEU 15 -6.369 -1.804 6.723
139 HG LEU 15 HG LEU 15 -8.227 -1.933 8.082
140 1HD1 LEU 15 HD11 LEU 15 -8.784 0.301 8.837
141 2HD1 LEU 15 HD12 LEU 15 -8.194 0.982 7.319
142 3HD1 LEU 15 HD13 LEU 15 -7.065 0.224 8.445
143 1HD2 LEU 15 HD21 LEU 15 -10.198 -2.038 7.088
144 2HD2 LEU 15 HD22 LEU 15 -9.523 -1.288 5.633
145 3HD2 LEU 15 HD23 LEU 15 -10.183 -0.279 6.929
146 H ARG 16 HN ARG 16 -7.253 -1.533 3.514
147 HA ARG 16 HA ARG 16 -4.763 -2.313 2.676
148 1HB ARG 16 HB2 ARG 16 -7.241 -1.730 1.143
149 2HB ARG 16 HB1 ARG 16 -5.792 -2.170 0.282
150 1HG ARG 16 HG2 ARG 16 -7.299 -3.805 2.304
151 2HG ARG 16 HG1 ARG 16 -7.101 -4.133 0.582
152 1HD ARG 16 HD2 ARG 16 -4.626 -4.306 1.013
153 2HD ARG 16 HD1 ARG 16 -5.001 -4.242 2.735
154 HE ARG 16 HE ARG 16 -6.414 -6.285 1.266
155 1HH1 ARG 16 1HH1 ARG 16 -3.547 -5.503 3.100
156 2HH1 ARG 16 2HH1 ARG 16 -3.225 -7.148 3.531
157 1HH2 ARG 16 1HH2 ARG 16 -5.989 -8.448 1.834
158 2HH2 ARG 16 2HH2 ARG 16 -4.608 -8.820 2.812
159 H ASN 17 HN ASN 17 -6.225 0.754 2.342
160 HA ASN 17 HA ASN 17 -4.618 1.912 0.379
161 1HB ASN 17 HB2 ASN 17 -6.588 2.704 2.324
162 2HB ASN 17 HB1 ASN 17 -5.369 3.907 2.170
163 1HD2 ASN 17 HD21 ASN 17 -7.515 4.911 1.459
164 2HD2 ASN 17 HD22 ASN 17 -7.782 4.912 -0.239
165 HA PRO 18 HA PRO 18 -1.895 3.978 3.782
166 1HB PRO 18 HB2 PRO 18 -2.249 2.894 6.312
167 2HB PRO 18 HB1 PRO 18 -2.825 4.472 5.770
168 1HG PRO 18 HG2 PRO 18 -4.257 1.869 5.861
169 2HG PRO 18 HG1 PRO 18 -4.848 3.490 6.268
170 1HD PRO 18 HD2 PRO 18 -5.498 2.389 3.957
171 2HD PRO 18 HD1 PRO 18 -5.049 4.099 4.025
172 H ILE 19 HN ILE 19 -2.882 0.730 3.744
173 HA ILE 19 HA ILE 19 -0.480 -0.406 4.810
174 HB ILE 19 HB ILE 19 -2.714 -1.602 3.204
175 1HG1 ILE 19 HG12 ILE 19 -1.956 -1.471 6.091
176 2HG1 ILE 19 HG11 ILE 19 -3.523 -1.224 5.346
177 1HG2 ILE 19 HG21 ILE 19 -1.749 -3.812 3.678
178 2HG2 ILE 19 HG22 ILE 19 -0.328 -3.030 4.368
179 3HG2 ILE 19 HG23 ILE 19 -0.696 -2.836 2.654
180 1HD1 ILE 19 HD11 ILE 19 -3.719 -3.629 4.959
181 2HD1 ILE 19 HD12 ILE 19 -3.511 -3.246 6.667
182 3HD1 ILE 19 HD13 ILE 19 -2.153 -3.872 5.732
183 H LEU 20 HN LEU 20 -1.669 0.255 1.645
184 HA LEU 20 HA LEU 20 0.346 -0.918 0.082
185 1HB LEU 20 HB2 LEU 20 -1.356 1.503 -0.545
186 2HB LEU 20 HB1 LEU 20 -0.377 0.633 -1.706
187 HG LEU 20 HG LEU 20 -3.049 0.033 -0.680
188 1HD1 LEU 20 HD11 LEU 20 -1.882 -1.304 -3.042
189 2HD1 LEU 20 HD12 LEU 20 -2.010 0.454 -3.095
190 3HD1 LEU 20 HD13 LEU 20 -3.452 -0.528 -2.833
191 1HD2 LEU 20 HD21 LEU 20 -1.901 -1.732 0.509
192 2HD2 LEU 20 HD22 LEU 20 -1.034 -2.193 -0.957
193 3HD2 LEU 20 HD23 LEU 20 -2.781 -2.414 -0.860
194 H VAL 21 HN VAL 21 -0.182 2.216 1.453
195 HA VAL 21 HA VAL 21 2.021 3.639 0.630
196 HB VAL 21 HB VAL 21 0.266 3.497 2.995
197 1HG1 VAL 21 HG11 VAL 21 1.433 5.145 4.195
198 2HG1 VAL 21 HG12 VAL 21 2.515 5.465 2.838
199 3HG1 VAL 21 HG13 VAL 21 2.622 3.931 3.708
200 1HG2 VAL 21 HG21 VAL 21 -0.363 5.753 2.285
201 2HG2 VAL 21 HG22 VAL 21 -0.526 4.570 0.982
202 3HG2 VAL 21 HG23 VAL 21 0.849 5.680 1.002
203 H PHE 22 HN PHE 22 1.390 1.685 3.474
204 HA PHE 22 HA PHE 22 3.839 1.797 4.776
205 1HB PHE 22 HB2 PHE 22 2.368 0.777 6.121
206 2HB PHE 22 HB1 PHE 22 1.405 0.221 4.775
207 HD1 PHE 22 HD1 PHE 22 1.256 -1.914 4.356
208 HD2 PHE 22 HD2 PHE 22 4.628 -0.397 6.355
209 HE1 PHE 22 HE1 PHE 22 2.109 -4.209 4.593
210 HE2 PHE 22 HE2 PHE 22 5.522 -2.665 6.632
211 HZ PHE 22 HZ PHE 22 4.262 -4.593 5.730
212 H LEU 23 HN LEU 23 2.733 0.023 2.024
213 HA LEU 23 HA LEU 23 5.152 -1.691 2.008
214 1HB LEU 23 HB2 LEU 23 2.916 -1.391 0.017
215 2HB LEU 23 HB1 LEU 23 4.300 -2.435 -0.240
216 HG LEU 23 HG LEU 23 3.392 -3.295 2.195
217 1HD1 LEU 23 HD11 LEU 23 1.215 -2.939 2.465
218 2HD1 LEU 23 HD12 LEU 23 0.860 -3.287 0.769
219 3HD1 LEU 23 HD13 LEU 23 1.406 -1.673 1.247
220 1HD2 LEU 23 HD21 LEU 23 3.841 -5.026 0.812
221 2HD2 LEU 23 HD22 LEU 23 3.210 -4.192 -0.608
222 3HD2 LEU 23 HD23 LEU 23 2.102 -4.972 0.521
223 H LYS 24 HN LYS 24 3.885 1.120 0.541
224 HA LYS 24 HA LYS 24 5.696 1.427 -1.573
225 1HB LYS 24 HB2 LYS 24 3.517 2.788 -0.362
226 2HB LYS 24 HB1 LYS 24 4.774 3.943 -0.648
227 1HG LYS 24 HG2 LYS 24 4.043 4.043 -2.747
228 2HG LYS 24 HG1 LYS 24 4.622 2.387 -2.941
229 1HD LYS 24 HD2 LYS 24 2.463 1.978 -3.457
230 2HD LYS 24 HD1 LYS 24 2.309 1.899 -1.697
231 1HE LYS 24 HE2 LYS 24 0.631 3.374 -2.113
232 2HE LYS 24 HE1 LYS 24 1.965 4.523 -2.022
233 1HZ LYS 24 HZ1 LYS 24 1.939 4.873 -4.256
234 2HZ LYS 24 HZ2 LYS 24 0.300 4.520 -4.029
235 3HZ LYS 24 HZ3 LYS 24 1.346 3.331 -4.624
236 H THR 25 HN THR 25 5.603 2.553 1.708
237 HA THR 25 HA THR 25 7.970 4.072 1.643
238 HB THR 25 HB THR 25 6.424 4.589 3.363
239 HG1 THR 25 HG1 THR 25 8.750 4.331 3.988
240 1HG2 THR 25 HG21 THR 25 6.581 1.972 4.729
241 2HG2 THR 25 HG22 THR 25 5.527 2.107 3.320
242 3HG2 THR 25 HG23 THR 25 5.288 3.170 4.708
243 H ARG 26 HN ARG 26 7.169 0.764 2.679
244 HA ARG 26 HA ARG 26 9.686 0.042 3.673
245 1HB ARG 26 HB2 ARG 26 7.503 -1.488 2.287
246 2HB ARG 26 HB1 ARG 26 8.957 -2.293 2.866
247 1HG ARG 26 HG2 ARG 26 6.780 -0.982 4.440
248 2HG ARG 26 HG1 ARG 26 7.413 -2.612 4.571
249 1HD ARG 26 HD2 ARG 26 9.561 -1.620 5.377
250 2HD ARG 26 HD1 ARG 26 8.753 -0.052 5.400
251 HE ARG 26 HE ARG 26 7.796 -0.649 7.378
252 1HH1 ARG 26 1HH1 ARG 26 8.749 -3.564 5.711
253 2HH1 ARG 26 2HH1 ARG 26 8.302 -4.606 7.020
254 1HH2 ARG 26 1HH2 ARG 26 7.208 -2.017 9.100
255 2HH2 ARG 26 2HH2 ARG 26 7.428 -3.729 8.944
256 H VAL 27 HN VAL 27 8.350 0.051 0.465
257 HA VAL 27 HA VAL 27 10.566 -1.071 -0.923
258 HB VAL 27 HB VAL 27 7.950 0.151 -1.517
259 1HG1 VAL 27 HG11 VAL 27 10.197 0.159 -3.493
260 2HG1 VAL 27 HG12 VAL 27 9.155 1.491 -2.993
261 3HG1 VAL 27 HG13 VAL 27 8.499 0.178 -3.971
262 1HG2 VAL 27 HG21 VAL 27 8.174 -2.243 -1.303
263 2HG2 VAL 27 HG22 VAL 27 9.408 -2.270 -2.563
264 3HG2 VAL 27 HG23 VAL 27 7.748 -1.832 -2.964
265 H LEU 28 HN LEU 28 9.709 2.019 0.256
266 HA LEU 28 HA LEU 28 11.276 3.601 -1.502
267 1HB LEU 28 HB2 LEU 28 10.017 5.260 -0.681
268 2HB LEU 28 HB1 LEU 28 9.068 4.007 0.034
269 HG LEU 28 HG LEU 28 10.262 4.259 2.133
270 1HD1 LEU 28 HD11 LEU 28 11.546 6.696 1.973
271 2HD1 LEU 28 HD12 LEU 28 12.051 5.857 0.505
272 3HD1 LEU 28 HD13 LEU 28 12.307 5.110 2.082
273 1HD2 LEU 28 HD21 LEU 28 8.866 5.884 2.786
274 2HD2 LEU 28 HD22 LEU 28 8.351 5.922 1.100
275 3HD2 LEU 28 HD23 LEU 28 9.568 7.060 1.677
276 H LYS 29 HN LYS 29 11.296 2.625 1.821
277 HA LYS 29 HA LYS 29 13.817 3.741 2.458
278 1HB LYS 29 HB2 LYS 29 13.626 2.696 4.584
279 2HB LYS 29 HB1 LYS 29 12.002 3.194 4.137
280 1HG LYS 29 HG2 LYS 29 11.421 0.942 3.532
281 2HG LYS 29 HG1 LYS 29 13.082 0.405 3.792
282 1HD LYS 29 HD2 LYS 29 12.191 1.727 6.149
283 2HD LYS 29 HD1 LYS 29 10.955 0.564 5.668
284 1HE LYS 29 HE2 LYS 29 12.280 -0.811 6.906
285 2HE LYS 29 HE1 LYS 29 13.074 -0.991 5.342
286 1HZ LYS 29 HZ1 LYS 29 14.784 -0.590 6.861
287 2HZ LYS 29 HZ2 LYS 29 13.935 0.639 7.654
288 3HZ LYS 29 HZ3 LYS 29 14.551 0.905 6.102
289 H ARG 30 HN ARG 30 12.704 0.925 0.994
290 HA ARG 30 HA ARG 30 15.098 -0.604 1.285
291 1HB ARG 30 HB2 ARG 30 12.471 -0.869 -0.051
292 2HB ARG 30 HB1 ARG 30 13.766 -1.877 -0.630
293 1HG ARG 30 HG2 ARG 30 13.599 -1.890 2.241
294 2HG ARG 30 HG1 ARG 30 12.067 -2.335 1.502
295 1HD ARG 30 HD2 ARG 30 14.510 -3.592 0.394
296 2HD ARG 30 HD1 ARG 30 14.005 -4.111 2.001
297 HE ARG 30 HE ARG 30 11.725 -4.277 0.558
298 1HH1 ARG 30 1HH1 ARG 30 14.951 -5.516 0.070
299 2HH1 ARG 30 2HH1 ARG 30 14.417 -6.913 -0.803
300 1HH2 ARG 30 1HH2 ARG 30 11.021 -6.113 -0.593
301 2HH2 ARG 30 2HH2 ARG 30 12.187 -7.252 -1.181
302 H TRP 31 HN TRP 31 13.574 1.613 -0.846
303 HA TRP 31 HA TRP 31 15.168 1.334 -3.122
304 1HB TRP 31 HB2 TRP 31 12.873 2.684 -2.270
305 2HB TRP 31 HB1 TRP 31 13.981 3.890 -2.790
306 HD1 TRP 31 HD1 TRP 31 11.899 1.176 -4.018
307 HE1 TRP 31 HE1 TRP 31 11.990 1.122 -6.584
308 HE3 TRP 31 HE3 TRP 31 15.540 4.346 -4.478
309 HZ2 TRP 31 HZ2 TRP 31 13.547 2.390 -8.587
310 HZ3 TRP 31 HZ3 TRP 31 16.417 4.993 -6.747
311 HH2 TRP 31 HH2 TRP 31 15.420 4.008 -8.771
312 H ARG 32 HN ARG 32 15.018 3.366 -0.181
313 HA ARG 32 HA ARG 32 17.157 5.106 -0.742
314 1HB ARG 32 HB2 ARG 32 16.126 3.829 1.755
315 2HB ARG 32 HB1 ARG 32 17.270 5.175 1.761
316 1HG ARG 32 HG2 ARG 32 15.622 6.566 0.645
317 2HG ARG 32 HG1 ARG 32 14.495 5.227 0.602
318 1HD ARG 32 HD2 ARG 32 13.821 5.625 2.653
319 2HD ARG 32 HD1 ARG 32 15.467 5.589 3.260
320 HE ARG 32 HE ARG 32 15.117 8.056 2.046
321 1HH1 ARG 32 1HH1 ARG 32 13.757 6.303 4.740
322 2HH1 ARG 32 2HH1 ARG 32 13.391 7.733 5.646
323 1HH2 ARG 32 1HH2 ARG 32 14.638 9.937 3.238
324 2HH2 ARG 32 2HH2 ARG 32 13.891 9.795 4.794
325 H LEU 33 HN LEU 33 16.914 2.129 0.993
326 HA LEU 33 HA LEU 33 19.497 1.541 1.689
327 1HB LEU 33 HB2 LEU 33 16.912 0.174 1.211
328 2HB LEU 33 HB1 LEU 33 18.293 -0.800 1.514
329 HG LEU 33 HG LEU 33 16.591 0.293 3.348
330 1HD1 LEU 33 HD11 LEU 33 19.238 -0.357 4.421
331 2HD1 LEU 33 HD12 LEU 33 18.560 -1.584 3.350
332 3HD1 LEU 33 HD13 LEU 33 17.665 -1.070 4.779
333 1HD2 LEU 33 HD21 LEU 33 19.186 1.709 3.734
334 2HD2 LEU 33 HD22 LEU 33 17.634 2.002 4.522
335 3HD2 LEU 33 HD23 LEU 33 17.862 2.431 2.823
336 H PHE 34 HN PHE 34 17.576 0.787 -1.038
337 HA PHE 34 HA PHE 34 19.464 -0.891 -2.350
338 1HB PHE 34 HB2 PHE 34 16.818 0.125 -2.837
339 2HB PHE 34 HB1 PHE 34 17.749 -0.055 -4.294
340 HD1 PHE 34 HD1 PHE 34 16.751 -1.932 -5.262
341 HD2 PHE 34 HD2 PHE 34 18.009 -1.924 -1.226
342 HE1 PHE 34 HE1 PHE 34 16.402 -4.349 -5.169
343 HE2 PHE 34 HE2 PHE 34 17.671 -4.344 -1.101
344 HZ PHE 34 HZ PHE 34 16.855 -5.588 -3.077
345 H SER 35 HN SER 35 18.848 2.351 -1.976
346 HA SER 35 HA SER 35 20.531 3.125 -4.286
347 1HB SER 35 HB2 SER 35 18.346 4.423 -3.136
348 2HB SER 35 HB1 SER 35 19.741 5.379 -2.643
349 HG SER 35 HG SER 35 18.656 4.975 -5.151
350 H LYS 36 HN LYS 36 20.712 2.836 -0.811
351 HA LYS 36 HA LYS 36 23.091 4.464 -0.613
352 1HB LYS 36 HB2 LYS 36 22.144 2.447 1.410
353 2HB LYS 36 HB1 LYS 36 23.194 3.826 1.686
354 1HG LYS 36 HG2 LYS 36 21.137 5.209 0.920
355 2HG LYS 36 HG1 LYS 36 20.252 3.731 1.302
356 1HD LYS 36 HD2 LYS 36 22.122 5.090 3.221
357 2HD LYS 36 HD1 LYS 36 20.376 5.362 3.185
358 1HE LYS 36 HE2 LYS 36 20.011 3.503 4.343
359 2HE LYS 36 HE1 LYS 36 20.918 2.553 3.162
360 1HZ LYS 36 HZ1 LYS 36 22.888 2.829 4.350
361 2HZ LYS 36 HZ2 LYS 36 21.737 2.563 5.561
362 3HZ LYS 36 HZ3 LYS 36 22.293 4.130 5.253
363 H HIS 37 HN HIS 37 22.268 1.125 -0.814
364 HA HIS 37 HA HIS 37 24.879 0.081 -0.463
365 1HB HIS 37 HB2 HIS 37 23.621 -1.725 -0.225
366 2HB HIS 37 HB1 HIS 37 22.218 -0.920 -0.826
367 HD1 HIS 37 HD1 HIS 37 24.801 -3.406 -1.776
368 HD2 HIS 37 HD2 HIS 37 21.631 -1.364 -3.508
369 HE1 HIS 37 HE1 HIS 37 24.318 -4.628 -3.922
370 HE2 HIS 37 HE2 HIS 37 22.313 -3.448 -4.897
371 H GLU 38 HN GLU 38 22.835 0.266 -3.330
372 HA GLU 38 HA GLU 38 25.103 -0.082 -5.084
373 1HB GLU 38 HB2 GLU 38 22.170 -0.126 -5.339
374 2HB GLU 38 HB1 GLU 38 23.017 0.523 -6.735
375 1HG GLU 38 HG2 GLU 38 24.105 -1.975 -5.643
376 2HG GLU 38 HG1 GLU 38 22.494 -2.088 -6.351
Start of MODEL 7
1 1H VAL 1 HT1 VAL 1 -28.081 2.915 1.847
2 2H VAL 1 HT2 VAL 1 -29.657 2.783 2.514
3 3H VAL 1 HT3 VAL 1 -29.445 2.834 0.812
4 HA VAL 1 HA VAL 1 -29.921 0.633 1.595
5 HB VAL 1 HB VAL 1 -27.878 -0.478 0.610
6 1HG1 VAL 1 HG11 VAL 1 -29.586 1.548 -0.697
7 2HG1 VAL 1 HG12 VAL 1 -29.399 -0.173 -1.038
8 3HG1 VAL 1 HG13 VAL 1 -28.192 0.977 -1.616
9 1HG2 VAL 1 HG21 VAL 1 -26.455 1.583 1.417
10 2HG2 VAL 1 HG22 VAL 1 -26.896 2.224 -0.165
11 3HG2 VAL 1 HG23 VAL 1 -26.022 0.697 -0.045
12 H MET 2 HN MET 2 -28.579 -1.373 2.376
13 HA MET 2 HA MET 2 -28.041 -0.962 5.125
14 1HB MET 2 HB2 MET 2 -28.259 -3.222 3.243
15 2HB MET 2 HB1 MET 2 -27.219 -3.487 4.621
16 1HG MET 2 HG2 MET 2 -29.127 -2.741 6.075
17 2HG MET 2 HG1 MET 2 -30.128 -2.788 4.625
18 1HE MET 2 HE1 MET 2 -31.570 -4.260 4.363
19 2HE MET 2 HE2 MET 2 -31.847 -5.134 5.869
20 3HE MET 2 HE3 MET 2 -31.440 -6.018 4.397
21 HA PRO 3 HA PRO 3 -23.601 -0.750 4.934
22 1HB PRO 3 HB2 PRO 3 -22.916 -1.494 7.362
23 2HB PRO 3 HB1 PRO 3 -24.175 -0.270 7.203
24 1HG PRO 3 HG2 PRO 3 -24.488 -3.226 7.590
25 2HG PRO 3 HG1 PRO 3 -25.203 -1.911 8.552
26 1HD PRO 3 HD2 PRO 3 -26.499 -3.153 6.457
27 2HD PRO 3 HD1 PRO 3 -26.838 -1.490 6.981
28 H LYS 4 HN LYS 4 -21.814 -2.641 6.314
29 HA LYS 4 HA LYS 4 -20.712 -4.600 6.035
30 1HB LYS 4 HB2 LYS 4 -23.055 -5.539 6.334
31 2HB LYS 4 HB1 LYS 4 -23.129 -5.653 4.582
32 1HG LYS 4 HG2 LYS 4 -20.702 -6.851 5.440
33 2HG LYS 4 HG1 LYS 4 -22.017 -7.488 6.429
34 1HD LYS 4 HD2 LYS 4 -22.332 -8.912 4.722
35 2HD LYS 4 HD1 LYS 4 -23.126 -7.544 3.940
36 1HE LYS 4 HE2 LYS 4 -20.291 -7.366 3.555
37 2HE LYS 4 HE1 LYS 4 -20.855 -8.964 3.068
38 1HZ LYS 4 HZ1 LYS 4 -21.731 -6.330 2.040
39 2HZ LYS 4 HZ2 LYS 4 -22.622 -7.742 1.769
40 3HZ LYS 4 HZ3 LYS 4 -21.042 -7.613 1.179
41 H GLN 5 HN GLN 5 -22.206 -3.054 3.310
42 HA GLN 5 HA GLN 5 -20.309 -4.341 1.509
43 1HB GLN 5 HB2 GLN 5 -21.986 -4.304 0.025
44 2HB GLN 5 HB1 GLN 5 -23.001 -3.587 1.253
45 1HG GLN 5 HG2 GLN 5 -23.068 -2.335 -0.855
46 2HG GLN 5 HG1 GLN 5 -22.485 -1.393 0.466
47 1HE2 GLN 5 HE21 GLN 5 -21.157 -3.408 -2.052
48 2HE2 GLN 5 HE22 GLN 5 -19.872 -2.339 -2.389
49 H ILE 6 HN ILE 6 -21.139 -1.314 2.900
50 HA ILE 6 HA ILE 6 -19.167 0.118 1.391
51 HB ILE 6 HB ILE 6 -19.796 1.953 3.109
52 1HG1 ILE 6 HG12 ILE 6 -22.075 1.849 3.929
53 2HG1 ILE 6 HG11 ILE 6 -22.282 0.241 3.287
54 1HG2 ILE 6 HG21 ILE 6 -20.218 1.962 0.720
55 2HG2 ILE 6 HG22 ILE 6 -21.551 2.693 1.620
56 3HG2 ILE 6 HG23 ILE 6 -21.705 1.051 0.988
57 1HD1 ILE 6 HD11 ILE 6 -21.647 0.781 5.833
58 2HD1 ILE 6 HD12 ILE 6 -20.029 0.618 5.148
59 3HD1 ILE 6 HD13 ILE 6 -21.183 -0.710 5.017
60 H VAL 7 HN VAL 7 -19.593 -1.515 4.397
61 HA VAL 7 HA VAL 7 -17.365 -0.391 5.784
62 HB VAL 7 HB VAL 7 -19.539 -1.632 6.671
63 1HG1 VAL 7 HG11 VAL 7 -19.021 -3.765 5.560
64 2HG1 VAL 7 HG12 VAL 7 -19.137 -3.928 7.312
65 3HG1 VAL 7 HG13 VAL 7 -17.556 -3.898 6.532
66 1HG2 VAL 7 HG21 VAL 7 -16.887 -2.065 7.994
67 2HG2 VAL 7 HG22 VAL 7 -18.465 -1.887 8.763
68 3HG2 VAL 7 HG23 VAL 7 -17.725 -0.516 7.938
69 H TYR 8 HN TYR 8 -18.155 -3.197 3.901
70 HA TYR 8 HA TYR 8 -15.766 -4.688 4.081
71 1HB TYR 8 HB2 TYR 8 -18.200 -4.887 2.724
72 2HB TYR 8 HB1 TYR 8 -16.996 -4.749 1.449
73 HD1 TYR 8 HD1 TYR 8 -16.723 -6.904 0.602
74 HD2 TYR 8 HD2 TYR 8 -16.763 -6.295 4.791
75 HE1 TYR 8 HE1 TYR 8 -16.047 -9.192 0.939
76 HE2 TYR 8 HE2 TYR 8 -16.088 -8.524 5.147
77 HH TYR 8 HH TYR 8 -14.942 -10.578 2.651
78 H TRP 9 HN TRP 9 -17.009 -2.216 1.904
79 HA TRP 9 HA TRP 9 -14.773 -1.989 0.182
80 1HB TRP 9 HB2 TRP 9 -17.222 -0.492 0.826
81 2HB TRP 9 HB1 TRP 9 -15.871 0.538 0.345
82 HD1 TRP 9 HD1 TRP 9 -18.546 -1.454 -1.067
83 HE1 TRP 9 HE1 TRP 9 -18.124 -1.706 -3.626
84 HE3 TRP 9 HE3 TRP 9 -13.857 0.125 -1.198
85 HZ2 TRP 9 HZ2 TRP 9 -16.040 -1.275 -5.434
86 HZ3 TRP 9 HZ3 TRP 9 -12.642 0.213 -3.352
87 HH2 TRP 9 HH2 TRP 9 -13.749 -0.492 -5.427
88 H LYS 10 HN LYS 10 -15.980 0.039 2.662
89 HA LYS 10 HA LYS 10 -13.906 1.773 3.104
90 1HB LYS 10 HB2 LYS 10 -15.991 2.152 4.172
91 2HB LYS 10 HB1 LYS 10 -15.939 0.596 4.984
92 1HG LYS 10 HG2 LYS 10 -13.672 1.872 5.873
93 2HG LYS 10 HG1 LYS 10 -14.877 3.153 5.797
94 1HD LYS 10 HD2 LYS 10 -16.131 2.252 7.459
95 2HD LYS 10 HD1 LYS 10 -15.761 0.596 6.977
96 1HE LYS 10 HE2 LYS 10 -13.436 2.034 7.982
97 2HE LYS 10 HE1 LYS 10 -14.736 1.920 9.167
98 1HZ LYS 10 HZ1 LYS 10 -14.763 -0.550 8.458
99 2HZ LYS 10 HZ2 LYS 10 -13.566 -0.011 9.525
100 3HZ LYS 10 HZ3 LYS 10 -13.199 -0.240 7.890
101 H GLN 11 HN GLN 11 -14.416 -1.362 4.732
102 HA GLN 11 HA GLN 11 -11.945 -1.145 6.172
103 1HB GLN 11 HB2 GLN 11 -12.429 -3.290 7.040
104 2HB GLN 11 HB1 GLN 11 -13.981 -2.488 6.891
105 1HG GLN 11 HG2 GLN 11 -14.457 -3.705 4.864
106 2HG GLN 11 HG1 GLN 11 -12.858 -4.427 4.890
107 1HE2 GLN 11 HE21 GLN 11 -13.578 -4.432 8.070
108 2HE2 GLN 11 HE22 GLN 11 -14.393 -5.947 8.188
109 H TRP 12 HN TRP 12 -12.397 -1.481 3.042
110 HA TRP 12 HA TRP 12 -10.086 -3.263 2.648
111 1HB TRP 12 HB2 TRP 12 -12.330 -3.757 1.525
112 2HB TRP 12 HB1 TRP 12 -12.028 -2.394 0.515
113 HD1 TRP 12 HD1 TRP 12 -11.258 -5.939 0.843
114 HE1 TRP 12 HE1 TRP 12 -9.515 -6.609 -0.910
115 HE3 TRP 12 HE3 TRP 12 -10.053 -1.377 -0.616
116 HZ2 TRP 12 HZ2 TRP 12 -7.827 -5.291 -2.753
117 HZ3 TRP 12 HZ3 TRP 12 -8.350 -1.040 -2.417
118 HH2 TRP 12 HH2 TRP 12 -7.250 -3.011 -3.466
119 H LEU 13 HN LEU 13 -11.425 -0.051 1.895
120 HA LEU 13 HA LEU 13 -8.906 0.640 0.581
121 1HB LEU 13 HB2 LEU 13 -11.490 2.193 0.831
122 2HB LEU 13 HB1 LEU 13 -10.062 2.750 -0.017
123 HG LEU 13 HG LEU 13 -11.710 0.337 -0.770
124 1HD1 LEU 13 HD11 LEU 13 -13.073 1.910 -1.608
125 2HD1 LEU 13 HD12 LEU 13 -11.835 2.082 -2.855
126 3HD1 LEU 13 HD13 LEU 13 -11.855 3.179 -1.474
127 1HD2 LEU 13 HD21 LEU 13 -9.210 0.311 -1.276
128 2HD2 LEU 13 HD22 LEU 13 -9.541 1.634 -2.392
129 3HD2 LEU 13 HD23 LEU 13 -10.309 0.065 -2.633
130 H SER 14 HN SER 14 -10.340 0.765 3.619
131 HA SER 14 HA SER 14 -9.036 3.219 4.401
132 1HB SER 14 HB2 SER 14 -11.229 1.927 5.407
133 2HB SER 14 HB1 SER 14 -9.984 1.433 6.546
134 HG SER 14 HG SER 14 -11.227 3.813 6.304
135 H LEU 15 HN LEU 15 -8.723 -0.222 4.999
136 HA LEU 15 HA LEU 15 -6.268 0.107 6.429
137 1HB LEU 15 HB2 LEU 15 -7.598 -2.405 5.436
138 2HB LEU 15 HB1 LEU 15 -6.341 -2.285 6.649
139 HG LEU 15 HG LEU 15 -8.218 -2.566 7.961
140 1HD1 LEU 15 HD11 LEU 15 -8.760 -0.439 8.989
141 2HD1 LEU 15 HD12 LEU 15 -8.137 0.422 7.578
142 3HD1 LEU 15 HD13 LEU 15 -7.036 -0.493 8.611
143 1HD2 LEU 15 HD21 LEU 15 -10.138 -0.746 6.993
144 2HD2 LEU 15 HD22 LEU 15 -10.188 -2.511 6.959
145 3HD2 LEU 15 HD23 LEU 15 -9.483 -1.618 5.600
146 H ARG 16 HN ARG 16 -7.198 -1.608 3.487
147 HA ARG 16 HA ARG 16 -4.695 -2.286 2.585
148 1HB ARG 16 HB2 ARG 16 -7.176 -1.549 1.122
149 2HB ARG 16 HB1 ARG 16 -5.720 -1.885 0.225
150 1HG ARG 16 HG2 ARG 16 -7.220 -3.737 2.054
151 2HG ARG 16 HG1 ARG 16 -7.028 -3.874 0.306
152 1HD ARG 16 HD2 ARG 16 -4.545 -4.069 0.717
153 2HD ARG 16 HD1 ARG 16 -4.926 -4.218 2.432
154 HE ARG 16 HE ARG 16 -5.482 -6.388 2.046
155 1HH1 ARG 16 1HH1 ARG 16 -5.740 -4.655 -0.972
156 2HH1 ARG 16 2HH1 ARG 16 -6.121 -6.070 -1.895
157 1HH2 ARG 16 1HH2 ARG 16 -5.978 -8.250 0.834
158 2HH2 ARG 16 2HH2 ARG 16 -6.253 -8.111 -0.871
159 H ASN 17 HN ASN 17 -6.157 0.797 2.633
160 HA ASN 17 HA ASN 17 -4.636 2.175 0.777
161 1HB ASN 17 HB2 ASN 17 -6.504 2.750 2.868
162 2HB ASN 17 HB1 ASN 17 -5.270 3.947 2.824
163 1HD2 ASN 17 HD21 ASN 17 -7.374 5.097 2.310
164 2HD2 ASN 17 HD22 ASN 17 -7.707 5.301 0.636
165 HA PRO 18 HA PRO 18 -1.640 3.869 4.052
166 1HB PRO 18 HB2 PRO 18 -1.841 2.791 6.585
167 2HB PRO 18 HB1 PRO 18 -2.445 4.377 6.095
168 1HG PRO 18 HG2 PRO 18 -3.886 1.774 6.238
169 2HG PRO 18 HG1 PRO 18 -4.424 3.382 6.759
170 1HD PRO 18 HD2 PRO 18 -5.280 2.403 4.467
171 2HD PRO 18 HD1 PRO 18 -4.775 4.096 4.564
172 H ILE 19 HN ILE 19 -2.773 0.667 4.030
173 HA ILE 19 HA ILE 19 -0.327 -0.545 4.921
174 HB ILE 19 HB ILE 19 -2.721 -1.742 3.544
175 1HG1 ILE 19 HG12 ILE 19 -1.835 -1.570 6.418
176 2HG1 ILE 19 HG11 ILE 19 -3.275 -0.873 5.714
177 1HG2 ILE 19 HG21 ILE 19 -1.486 -3.562 3.199
178 2HG2 ILE 19 HG22 ILE 19 -1.378 -3.745 4.950
179 3HG2 ILE 19 HG23 ILE 19 -0.121 -2.872 4.077
180 1HD1 ILE 19 HD11 ILE 19 -2.716 -3.786 6.176
181 2HD1 ILE 19 HD12 ILE 19 -4.106 -3.175 5.279
182 3HD1 ILE 19 HD13 ILE 19 -3.913 -2.777 6.986
183 H LEU 20 HN LEU 20 -1.613 0.362 1.832
184 HA LEU 20 HA LEU 20 0.360 -1.154 0.365
185 1HB LEU 20 HB2 LEU 20 -0.502 -0.211 -1.610
186 2HB LEU 20 HB1 LEU 20 -1.886 -0.508 -0.582
187 HG LEU 20 HG LEU 20 -0.979 2.155 -0.130
188 1HD1 LEU 20 HD11 LEU 20 -1.595 1.571 -3.018
189 2HD1 LEU 20 HD12 LEU 20 0.018 1.918 -2.395
190 3HD1 LEU 20 HD13 LEU 20 -1.247 3.142 -2.297
191 1HD2 LEU 20 HD21 LEU 20 -3.449 1.190 -1.530
192 2HD2 LEU 20 HD22 LEU 20 -3.231 2.689 -0.622
193 3HD2 LEU 20 HD23 LEU 20 -3.208 1.137 0.217
194 H VAL 21 HN VAL 21 -0.184 2.081 1.501
195 HA VAL 21 HA VAL 21 1.970 3.448 0.424
196 HB VAL 21 HB VAL 21 0.368 3.549 2.916
197 1HG1 VAL 21 HG11 VAL 21 2.683 4.054 3.479
198 2HG1 VAL 21 HG12 VAL 21 1.586 5.418 3.743
199 3HG1 VAL 21 HG13 VAL 21 2.647 5.394 2.332
200 1HG2 VAL 21 HG21 VAL 21 0.749 5.504 0.658
201 2HG2 VAL 21 HG22 VAL 21 -0.366 5.695 2.014
202 3HG2 VAL 21 HG23 VAL 21 -0.597 4.379 0.855
203 H PHE 22 HN PHE 22 1.469 1.795 3.463
204 HA PHE 22 HA PHE 22 3.942 1.990 4.672
205 1HB PHE 22 HB2 PHE 22 2.439 1.106 6.118
206 2HB PHE 22 HB1 PHE 22 1.498 0.404 4.825
207 HD1 PHE 22 HD1 PHE 22 1.296 -1.703 4.754
208 HD2 PHE 22 HD2 PHE 22 4.781 -0.039 6.389
209 HE1 PHE 22 HE1 PHE 22 2.092 -3.979 5.292
210 HE2 PHE 22 HE2 PHE 22 5.636 -2.271 6.934
211 HZ PHE 22 HZ PHE 22 4.287 -4.262 6.366
212 H LEU 23 HN LEU 23 2.751 -0.016 2.140
213 HA LEU 23 HA LEU 23 5.074 -1.820 2.058
214 1HB LEU 23 HB2 LEU 23 2.674 -1.409 0.290
215 2HB LEU 23 HB1 LEU 23 4.034 -2.351 -0.279
216 HG LEU 23 HG LEU 23 1.938 -3.445 0.900
217 1HD1 LEU 23 HD11 LEU 23 3.818 -5.114 1.861
218 2HD1 LEU 23 HD12 LEU 23 4.796 -4.148 0.752
219 3HD1 LEU 23 HD13 LEU 23 3.383 -5.018 0.154
220 1HD2 LEU 23 HD21 LEU 23 3.674 -3.446 3.260
221 2HD2 LEU 23 HD22 LEU 23 1.913 -3.441 3.137
222 3HD2 LEU 23 HD23 LEU 23 2.820 -1.937 2.927
223 H LYS 24 HN LYS 24 3.897 0.964 0.537
224 HA LYS 24 HA LYS 24 5.680 1.128 -1.625
225 1HB LYS 24 HB2 LYS 24 3.473 2.531 -0.516
226 2HB LYS 24 HB1 LYS 24 4.703 3.686 -0.909
227 1HG LYS 24 HG2 LYS 24 3.948 3.592 -2.997
228 2HG LYS 24 HG1 LYS 24 4.592 1.949 -3.059
229 1HD LYS 24 HD2 LYS 24 2.329 1.418 -1.804
230 2HD LYS 24 HD1 LYS 24 1.804 2.872 -2.663
231 1HE LYS 24 HE2 LYS 24 3.016 1.600 -4.679
232 2HE LYS 24 HE1 LYS 24 2.553 0.202 -3.712
233 1HZ LYS 24 HZ1 LYS 24 0.563 2.288 -4.302
234 2HZ LYS 24 HZ2 LYS 24 0.327 0.644 -3.979
235 3HZ LYS 24 HZ3 LYS 24 0.934 1.131 -5.481
236 H THR 25 HN THR 25 5.576 2.532 1.545
237 HA THR 25 HA THR 25 7.913 4.080 1.300
238 HB THR 25 HB THR 25 6.327 4.778 2.917
239 HG1 THR 25 HG1 THR 25 8.362 3.505 4.417
240 1HG2 THR 25 HG21 THR 25 5.207 3.513 4.416
241 2HG2 THR 25 HG22 THR 25 6.547 2.387 4.637
242 3HG2 THR 25 HG23 THR 25 5.522 2.269 3.202
243 H ARG 26 HN ARG 26 7.154 0.921 2.759
244 HA ARG 26 HA ARG 26 9.674 0.390 3.849
245 1HB ARG 26 HB2 ARG 26 7.519 -1.350 2.688
246 2HB ARG 26 HB1 ARG 26 8.990 -2.049 3.357
247 1HG ARG 26 HG2 ARG 26 6.802 -0.573 4.761
248 2HG ARG 26 HG1 ARG 26 7.474 -2.155 5.110
249 1HD ARG 26 HD2 ARG 26 9.657 -0.821 5.564
250 2HD ARG 26 HD1 ARG 26 8.563 0.552 5.721
251 HE ARG 26 HE ARG 26 7.403 -0.875 7.457
252 1HH1 ARG 26 1HH1 ARG 26 10.826 -1.168 6.800
253 2HH1 ARG 26 2HH1 ARG 26 11.201 -1.751 8.385
254 1HH2 ARG 26 1HH2 ARG 26 7.907 -1.637 9.537
255 2HH2 ARG 26 2HH2 ARG 26 9.549 -2.018 9.936
256 H VAL 27 HN VAL 27 8.374 -0.090 0.659
257 HA VAL 27 HA VAL 27 10.656 -1.325 -0.520
258 HB VAL 27 HB VAL 27 8.003 -0.315 -1.325
259 1HG1 VAL 27 HG11 VAL 27 8.594 -0.658 -3.744
260 2HG1 VAL 27 HG12 VAL 27 10.283 -0.542 -3.248
261 3HG1 VAL 27 HG13 VAL 27 9.188 0.814 -2.981
262 1HG2 VAL 27 HG21 VAL 27 8.310 -2.637 -0.727
263 2HG2 VAL 27 HG22 VAL 27 9.563 -2.816 -1.957
264 3HG2 VAL 27 HG23 VAL 27 7.893 -2.510 -2.437
265 H LEU 28 HN LEU 28 9.661 1.873 0.170
266 HA LEU 28 HA LEU 28 11.189 3.227 -1.802
267 1HB LEU 28 HB2 LEU 28 9.868 4.948 -1.243
268 2HB LEU 28 HB1 LEU 28 8.956 3.787 -0.351
269 HG LEU 28 HG LEU 28 10.133 4.387 1.689
270 1HD1 LEU 28 HD11 LEU 28 12.137 5.316 1.521
271 2HD1 LEU 28 HD12 LEU 28 11.310 6.830 1.157
272 3HD1 LEU 28 HD13 LEU 28 11.867 5.791 -0.155
273 1HD2 LEU 28 HD21 LEU 28 9.333 7.062 0.868
274 2HD2 LEU 28 HD22 LEU 28 8.641 5.998 2.091
275 3HD2 LEU 28 HD23 LEU 28 8.172 5.819 0.401
276 H LYS 29 HN LYS 29 11.204 2.784 1.632
277 HA LYS 29 HA LYS 29 13.670 4.083 2.100
278 1HB LYS 29 HB2 LYS 29 13.507 3.337 4.362
279 2HB LYS 29 HB1 LYS 29 11.884 3.763 3.839
280 1HG LYS 29 HG2 LYS 29 11.323 1.435 3.545
281 2HG LYS 29 HG1 LYS 29 12.978 0.958 3.933
282 1HD LYS 29 HD2 LYS 29 11.439 2.605 5.887
283 2HD LYS 29 HD1 LYS 29 11.097 0.879 5.759
284 1HE LYS 29 HE2 LYS 29 12.758 0.679 7.260
285 2HE LYS 29 HE1 LYS 29 13.803 0.857 5.851
286 1HZ LYS 29 HZ1 LYS 29 13.853 3.267 6.303
287 2HZ LYS 29 HZ2 LYS 29 14.519 2.350 7.559
288 3HZ LYS 29 HZ3 LYS 29 12.969 3.006 7.722
289 H ARG 30 HN ARG 30 12.691 1.029 1.088
290 HA ARG 30 HA ARG 30 15.145 -0.325 1.629
291 1HB ARG 30 HB2 ARG 30 12.540 -0.918 0.352
292 2HB ARG 30 HB1 ARG 30 13.883 -1.948 -0.061
293 1HG ARG 30 HG2 ARG 30 13.709 -1.512 2.772
294 2HG ARG 30 HG1 ARG 30 12.194 -2.125 2.126
295 1HD ARG 30 HD2 ARG 30 14.283 -3.615 0.928
296 2HD ARG 30 HD1 ARG 30 14.613 -3.542 2.659
297 HE ARG 30 HE ARG 30 12.580 -5.052 1.380
298 1HH1 ARG 30 1HH1 ARG 30 13.251 -3.226 4.276
299 2HH1 ARG 30 2HH1 ARG 30 12.123 -4.111 5.246
300 1HH2 ARG 30 1HH2 ARG 30 11.093 -6.216 2.653
301 2HH2 ARG 30 2HH2 ARG 30 10.900 -5.809 4.326
302 H TRP 31 HN TRP 31 13.545 1.442 -0.847
303 HA TRP 31 HA TRP 31 15.197 0.856 -3.025
304 1HB TRP 31 HB2 TRP 31 12.813 2.210 -2.443
305 2HB TRP 31 HB1 TRP 31 13.869 3.356 -3.169
306 HD1 TRP 31 HD1 TRP 31 11.958 0.347 -3.895
307 HE1 TRP 31 HE1 TRP 31 12.094 -0.168 -6.407
308 HE3 TRP 31 HE3 TRP 31 15.416 3.591 -4.902
309 HZ2 TRP 31 HZ2 TRP 31 13.611 0.804 -8.598
310 HZ3 TRP 31 HZ3 TRP 31 16.292 3.867 -7.247
311 HH2 TRP 31 HH2 TRP 31 15.388 2.472 -9.064
312 H ARG 32 HN ARG 32 14.884 3.368 -0.496
313 HA ARG 32 HA ARG 32 16.954 5.083 -1.356
314 1HB ARG 32 HB2 ARG 32 15.894 4.273 1.314
315 2HB ARG 32 HB1 ARG 32 16.976 5.654 1.085
316 1HG ARG 32 HG2 ARG 32 15.312 6.694 -0.359
317 2HG ARG 32 HG1 ARG 32 14.245 5.325 -0.133
318 1HD ARG 32 HD2 ARG 32 13.709 5.889 1.974
319 2HD ARG 32 HD1 ARG 32 15.258 6.650 2.296
320 HE ARG 32 HE ARG 32 12.942 7.883 1.003
321 1HH1 ARG 32 1HH1 ARG 32 16.227 8.187 2.158
322 2HH1 ARG 32 2HH1 ARG 32 16.210 9.917 2.111
323 1HH2 ARG 32 1HH2 ARG 32 12.929 10.153 0.937
324 2HH2 ARG 32 2HH2 ARG 32 14.342 11.032 1.418
325 H LEU 33 HN LEU 33 16.786 2.409 0.834
326 HA LEU 33 HA LEU 33 19.396 2.154 1.697
327 1HB LEU 33 HB2 LEU 33 16.909 0.561 1.453
328 2HB LEU 33 HB1 LEU 33 18.340 -0.248 1.947
329 HG LEU 33 HG LEU 33 16.539 1.052 3.523
330 1HD1 LEU 33 HD11 LEU 33 18.791 -0.555 3.865
331 2HD1 LEU 33 HD12 LEU 33 17.624 -0.090 5.103
332 3HD1 LEU 33 HD13 LEU 33 19.086 0.868 4.863
333 1HD2 LEU 33 HD21 LEU 33 17.604 3.146 2.637
334 2HD2 LEU 33 HD22 LEU 33 19.028 2.706 3.582
335 3HD2 LEU 33 HD23 LEU 33 17.489 3.007 4.395
336 H PHE 34 HN PHE 34 17.572 0.833 -0.874
337 HA PHE 34 HA PHE 34 19.587 -0.953 -1.836
338 1HB PHE 34 HB2 PHE 34 16.876 -0.258 -2.494
339 2HB PHE 34 HB1 PHE 34 17.832 -0.639 -3.895
340 HD1 PHE 34 HD1 PHE 34 18.234 -1.863 -0.534
341 HD2 PHE 34 HD2 PHE 34 16.969 -2.736 -4.472
342 HE1 PHE 34 HE1 PHE 34 18.091 -4.235 0.053
343 HE2 PHE 34 HE2 PHE 34 16.807 -5.110 -3.915
344 HZ PHE 34 HZ PHE 34 17.367 -5.891 -1.637
345 H SER 35 HN SER 35 18.769 2.246 -2.084
346 HA SER 35 HA SER 35 20.437 2.655 -4.506
347 1HB SER 35 HB2 SER 35 18.114 3.990 -3.643
348 2HB SER 35 HB1 SER 35 19.433 5.135 -3.425
349 HG SER 35 HG SER 35 20.028 4.472 -5.659
350 H LYS 36 HN LYS 36 20.533 2.980 -1.076
351 HA LYS 36 HA LYS 36 22.833 4.761 -1.194
352 1HB LYS 36 HB2 LYS 36 22.502 5.191 1.040
353 2HB LYS 36 HB1 LYS 36 20.870 4.840 0.509
354 1HG LYS 36 HG2 LYS 36 21.023 3.695 2.498
355 2HG LYS 36 HG1 LYS 36 21.356 2.442 1.307
356 1HD LYS 36 HD2 LYS 36 23.830 3.641 1.925
357 2HD LYS 36 HD1 LYS 36 22.998 3.381 3.460
358 1HE LYS 36 HE2 LYS 36 22.990 1.110 3.230
359 2HE LYS 36 HE1 LYS 36 22.973 1.185 1.469
360 1HZ LYS 36 HZ1 LYS 36 25.295 1.650 3.257
361 2HZ LYS 36 HZ2 LYS 36 25.316 1.952 1.593
362 3HZ LYS 36 HZ3 LYS 36 25.087 0.377 2.163
363 H HIS 37 HN HIS 37 22.104 1.480 -1.048
364 HA HIS 37 HA HIS 37 24.502 0.580 0.226
365 1HB HIS 37 HB2 HIS 37 22.064 -0.596 -0.806
366 2HB HIS 37 HB1 HIS 37 23.471 -1.529 -1.276
367 HD1 HIS 37 HD1 HIS 37 24.632 -2.893 0.528
368 HD2 HIS 37 HD2 HIS 37 21.640 -0.418 2.003
369 HE1 HIS 37 HE1 HIS 37 24.308 -3.589 2.923
370 HE2 HIS 37 HE2 HIS 37 22.563 -2.010 3.823
371 H GLU 38 HN GLU 38 23.308 0.544 -3.124
372 HA GLU 38 HA GLU 38 25.940 -0.192 -4.093
373 1HB GLU 38 HB2 GLU 38 23.198 -0.159 -5.170
374 2HB GLU 38 HB1 GLU 38 24.453 0.245 -6.332
375 1HG GLU 38 HG2 GLU 38 24.537 -2.209 -4.609
376 2HG GLU 38 HG1 GLU 38 23.800 -2.174 -6.210
Start of MODEL 8
1 1H VAL 1 HT1 VAL 1 -29.044 1.515 -0.124
2 2H VAL 1 HT2 VAL 1 -28.058 1.752 1.260
3 3H VAL 1 HT3 VAL 1 -29.767 1.720 1.417
4 HA VAL 1 HA VAL 1 -29.908 -0.500 1.099
5 HB VAL 1 HB VAL 1 -27.940 -1.850 0.289
6 1HG1 VAL 1 HG11 VAL 1 -28.342 -0.238 -2.048
7 2HG1 VAL 1 HG12 VAL 1 -29.852 -0.371 -1.145
8 3HG1 VAL 1 HG13 VAL 1 -29.001 -1.827 -1.660
9 1HG2 VAL 1 HG21 VAL 1 -26.867 0.902 -0.295
10 2HG2 VAL 1 HG22 VAL 1 -26.255 -0.566 -1.057
11 3HG2 VAL 1 HG23 VAL 1 -26.128 -0.360 0.690
12 H MET 2 HN MET 2 -28.619 -2.404 2.190
13 HA MET 2 HA MET 2 -28.138 -1.649 4.848
14 1HB MET 2 HB2 MET 2 -28.166 -4.111 3.248
15 2HB MET 2 HB1 MET 2 -27.094 -4.155 4.626
16 1HG MET 2 HG2 MET 2 -29.017 -3.418 6.042
17 2HG MET 2 HG1 MET 2 -30.042 -3.632 4.623
18 1HE MET 2 HE1 MET 2 -30.776 -4.652 7.058
19 2HE MET 2 HE2 MET 2 -30.401 -6.304 7.547
20 3HE MET 2 HE3 MET 2 -31.560 -6.010 6.250
21 HA PRO 3 HA PRO 3 -23.721 -1.133 4.806
22 1HB PRO 3 HB2 PRO 3 -23.053 -1.666 7.293
23 2HB PRO 3 HB1 PRO 3 -24.392 -0.553 7.023
24 1HG PRO 3 HG2 PRO 3 -24.500 -3.494 7.589
25 2HG PRO 3 HG1 PRO 3 -25.332 -2.180 8.454
26 1HD PRO 3 HD2 PRO 3 -26.492 -3.630 6.422
27 2HD PRO 3 HD1 PRO 3 -26.945 -1.959 6.818
28 H LYS 4 HN LYS 4 -21.837 -2.783 6.337
29 HA LYS 4 HA LYS 4 -20.579 -4.659 6.215
30 1HB LYS 4 HB2 LYS 4 -22.835 -5.771 6.542
31 2HB LYS 4 HB1 LYS 4 -22.877 -5.996 4.800
32 1HG LYS 4 HG2 LYS 4 -21.219 -7.574 4.819
33 2HG LYS 4 HG1 LYS 4 -20.493 -6.950 6.302
34 1HD LYS 4 HD2 LYS 4 -22.289 -7.868 7.622
35 2HD LYS 4 HD1 LYS 4 -23.152 -8.368 6.167
36 1HE LYS 4 HE2 LYS 4 -22.161 -10.350 6.567
37 2HE LYS 4 HE1 LYS 4 -20.780 -9.594 5.773
38 1HZ LYS 4 HZ1 LYS 4 -21.133 -10.343 8.536
39 2HZ LYS 4 HZ2 LYS 4 -20.477 -8.798 8.325
40 3HZ LYS 4 HZ3 LYS 4 -19.711 -10.143 7.641
41 H GLN 5 HN GLN 5 -22.180 -3.508 3.326
42 HA GLN 5 HA GLN 5 -20.138 -4.731 1.663
43 1HB GLN 5 HB2 GLN 5 -21.792 -4.827 0.143
44 2HB GLN 5 HB1 GLN 5 -22.863 -4.112 1.337
45 1HG GLN 5 HG2 GLN 5 -23.162 -2.550 -0.210
46 2HG GLN 5 HG1 GLN 5 -21.646 -1.908 0.349
47 1HE2 GLN 5 HE21 GLN 5 -19.761 -2.739 -0.793
48 2HE2 GLN 5 HE22 GLN 5 -19.926 -2.995 -2.476
49 H ILE 6 HN ILE 6 -21.088 -1.762 3.048
50 HA ILE 6 HA ILE 6 -19.228 -0.196 1.508
51 HB ILE 6 HB ILE 6 -19.995 1.598 3.212
52 1HG1 ILE 6 HG12 ILE 6 -22.264 1.333 4.031
53 2HG1 ILE 6 HG11 ILE 6 -22.351 -0.292 3.401
54 1HG2 ILE 6 HG21 ILE 6 -21.822 2.175 1.719
55 2HG2 ILE 6 HG22 ILE 6 -21.810 0.526 1.088
56 3HG2 ILE 6 HG23 ILE 6 -20.415 1.579 0.833
57 1HD1 ILE 6 HD11 ILE 6 -21.756 0.331 5.947
58 2HD1 ILE 6 HD12 ILE 6 -20.133 0.250 5.260
59 3HD1 ILE 6 HD13 ILE 6 -21.210 -1.144 5.152
60 H VAL 7 HN VAL 7 -19.557 -1.857 4.506
61 HA VAL 7 HA VAL 7 -17.414 -0.596 5.907
62 HB VAL 7 HB VAL 7 -19.490 -2.013 6.781
63 1HG1 VAL 7 HG11 VAL 7 -18.800 -4.080 5.630
64 2HG1 VAL 7 HG12 VAL 7 -18.909 -4.282 7.379
65 3HG1 VAL 7 HG13 VAL 7 -17.332 -4.113 6.607
66 1HG2 VAL 7 HG21 VAL 7 -18.456 -2.092 8.856
67 2HG2 VAL 7 HG22 VAL 7 -17.633 -0.792 7.995
68 3HG2 VAL 7 HG23 VAL 7 -16.864 -2.370 8.151
69 H TYR 8 HN TYR 8 -18.029 -3.399 3.971
70 HA TYR 8 HA TYR 8 -15.563 -4.759 4.090
71 1HB TYR 8 HB2 TYR 8 -17.968 -5.093 2.755
72 2HB TYR 8 HB1 TYR 8 -16.832 -4.733 1.457
73 HD1 TYR 8 HD1 TYR 8 -16.281 -6.750 0.435
74 HD2 TYR 8 HD2 TYR 8 -16.409 -6.518 4.662
75 HE1 TYR 8 HE1 TYR 8 -15.362 -8.972 0.582
76 HE2 TYR 8 HE2 TYR 8 -15.500 -8.687 4.832
77 HH TYR 8 HH TYR 8 -15.194 -10.827 2.116
78 H TRP 9 HN TRP 9 -16.954 -2.315 1.963
79 HA TRP 9 HA TRP 9 -14.752 -1.857 0.259
80 1HB TRP 9 HB2 TRP 9 -17.263 -0.509 1.003
81 2HB TRP 9 HB1 TRP 9 -15.963 0.609 0.587
82 HD1 TRP 9 HD1 TRP 9 -18.602 -1.301 -0.951
83 HE1 TRP 9 HE1 TRP 9 -18.184 -1.378 -3.523
84 HE3 TRP 9 HE3 TRP 9 -13.909 0.302 -1.000
85 HZ2 TRP 9 HZ2 TRP 9 -16.112 -0.814 -5.305
86 HZ3 TRP 9 HZ3 TRP 9 -12.712 0.545 -3.142
87 HH2 TRP 9 HH2 TRP 9 -13.825 -0.019 -5.257
88 H LYS 10 HN LYS 10 -16.040 0.012 2.826
89 HA LYS 10 HA LYS 10 -14.047 1.812 3.331
90 1HB LYS 10 HB2 LYS 10 -16.142 2.063 4.406
91 2HB LYS 10 HB1 LYS 10 -16.028 0.477 5.152
92 1HG LYS 10 HG2 LYS 10 -13.812 1.850 6.078
93 2HG LYS 10 HG1 LYS 10 -15.121 3.030 6.104
94 1HD LYS 10 HD2 LYS 10 -16.355 0.836 7.129
95 2HD LYS 10 HD1 LYS 10 -14.711 0.618 7.731
96 1HE LYS 10 HE2 LYS 10 -15.161 3.278 8.197
97 2HE LYS 10 HE1 LYS 10 -16.750 2.571 8.487
98 1HZ LYS 10 HZ1 LYS 10 -15.170 2.700 10.443
99 2HZ LYS 10 HZ2 LYS 10 -14.299 1.453 9.705
100 3HZ LYS 10 HZ3 LYS 10 -15.907 1.203 10.165
101 H GLN 11 HN GLN 11 -14.405 -1.386 4.848
102 HA GLN 11 HA GLN 11 -11.898 -1.073 6.230
103 1HB GLN 11 HB2 GLN 11 -12.337 -3.139 7.234
104 2HB GLN 11 HB1 GLN 11 -13.925 -2.432 7.036
105 1HG GLN 11 HG2 GLN 11 -14.423 -3.847 5.201
106 2HG GLN 11 HG1 GLN 11 -12.754 -4.380 5.076
107 1HE2 GLN 11 HE21 GLN 11 -13.152 -4.345 8.316
108 2HE2 GLN 11 HE22 GLN 11 -13.758 -5.941 8.555
109 H TRP 12 HN TRP 12 -12.400 -1.389 3.151
110 HA TRP 12 HA TRP 12 -10.132 -3.211 2.682
111 1HB TRP 12 HB2 TRP 12 -12.391 -3.738 1.632
112 2HB TRP 12 HB1 TRP 12 -12.156 -2.367 0.618
113 HD1 TRP 12 HD1 TRP 12 -11.308 -5.898 0.905
114 HE1 TRP 12 HE1 TRP 12 -9.618 -6.532 -0.910
115 HE3 TRP 12 HE3 TRP 12 -10.234 -1.311 -0.588
116 HZ2 TRP 12 HZ2 TRP 12 -8.020 -5.182 -2.809
117 HZ3 TRP 12 HZ3 TRP 12 -8.606 -0.940 -2.445
118 HH2 TRP 12 HH2 TRP 12 -7.510 -2.890 -3.539
119 H LEU 13 HN LEU 13 -11.524 -0.018 1.881
120 HA LEU 13 HA LEU 13 -9.012 0.616 0.526
121 1HB LEU 13 HB2 LEU 13 -10.096 2.258 -0.632
122 2HB LEU 13 HB1 LEU 13 -11.414 1.138 -0.379
123 HG LEU 13 HG LEU 13 -12.300 3.271 0.007
124 1HD1 LEU 13 HD11 LEU 13 -13.225 1.924 1.615
125 2HD1 LEU 13 HD12 LEU 13 -12.645 3.303 2.546
126 3HD1 LEU 13 HD13 LEU 13 -11.728 1.801 2.529
127 1HD2 LEU 13 HD21 LEU 13 -10.595 4.206 2.161
128 2HD2 LEU 13 HD22 LEU 13 -11.170 5.049 0.721
129 3HD2 LEU 13 HD23 LEU 13 -9.732 4.030 0.632
130 H SER 14 HN SER 14 -10.416 0.859 3.557
131 HA SER 14 HA SER 14 -9.094 3.321 4.263
132 1HB SER 14 HB2 SER 14 -11.258 2.016 5.350
133 2HB SER 14 HB1 SER 14 -9.978 1.601 6.477
134 HG SER 14 HG SER 14 -9.808 3.644 7.074
135 H LEU 15 HN LEU 15 -8.752 -0.114 4.927
136 HA LEU 15 HA LEU 15 -6.276 0.268 6.302
137 1HB LEU 15 HB2 LEU 15 -7.579 -2.285 5.385
138 2HB LEU 15 HB1 LEU 15 -6.307 -2.115 6.571
139 HG LEU 15 HG LEU 15 -8.150 -2.415 7.917
140 1HD1 LEU 15 HD11 LEU 15 -8.140 0.567 7.483
141 2HD1 LEU 15 HD12 LEU 15 -7.013 -0.309 8.523
142 3HD1 LEU 15 HD13 LEU 15 -8.734 -0.281 8.913
143 1HD2 LEU 15 HD21 LEU 15 -10.129 -0.661 6.948
144 2HD2 LEU 15 HD22 LEU 15 -10.138 -2.427 6.955
145 3HD2 LEU 15 HD23 LEU 15 -9.479 -1.550 5.563
146 H ARG 16 HN ARG 16 -7.222 -1.562 3.428
147 HA ARG 16 HA ARG 16 -4.742 -2.228 2.492
148 1HB ARG 16 HB2 ARG 16 -7.258 -1.556 1.069
149 2HB ARG 16 HB1 ARG 16 -5.818 -1.872 0.138
150 1HG ARG 16 HG2 ARG 16 -7.223 -3.728 2.032
151 2HG ARG 16 HG1 ARG 16 -7.070 -3.890 0.281
152 1HD ARG 16 HD2 ARG 16 -4.559 -3.969 0.670
153 2HD ARG 16 HD1 ARG 16 -4.936 -4.179 2.378
154 HE ARG 16 HE ARG 16 -5.457 -6.089 0.222
155 1HH1 ARG 16 1HH1 ARG 16 -5.606 -5.312 3.628
156 2HH1 ARG 16 2HH1 ARG 16 -5.854 -6.954 4.114
157 1HH2 ARG 16 1HH2 ARG 16 -5.786 -8.244 0.870
158 2HH2 ARG 16 2HH2 ARG 16 -5.957 -8.615 2.553
159 H ASN 17 HN ASN 17 -6.209 0.852 2.491
160 HA ASN 17 HA ASN 17 -4.692 2.182 0.583
161 1HB ASN 17 HB2 ASN 17 -6.582 2.807 2.651
162 2HB ASN 17 HB1 ASN 17 -5.365 4.018 2.559
163 1HD2 ASN 17 HD21 ASN 17 -7.466 5.136 1.995
164 2HD2 ASN 17 HD22 ASN 17 -7.810 5.257 0.315
165 HA PRO 18 HA PRO 18 -1.739 3.991 3.860
166 1HB PRO 18 HB2 PRO 18 -1.978 2.979 6.416
167 2HB PRO 18 HB1 PRO 18 -2.583 4.545 5.875
168 1HG PRO 18 HG2 PRO 18 -4.008 1.938 6.057
169 2HG PRO 18 HG1 PRO 18 -4.565 3.552 6.536
170 1HD PRO 18 HD2 PRO 18 -5.381 2.521 4.254
171 2HD PRO 18 HD1 PRO 18 -4.880 4.217 4.317
172 H ILE 19 HN ILE 19 -2.837 0.788 3.846
173 HA ILE 19 HA ILE 19 -0.436 -0.400 4.844
174 HB ILE 19 HB ILE 19 -2.771 -1.607 3.387
175 1HG1 ILE 19 HG12 ILE 19 -1.959 -1.394 6.274
176 2HG1 ILE 19 HG11 ILE 19 -3.439 -0.835 5.530
177 1HG2 ILE 19 HG21 ILE 19 -1.720 -3.562 3.218
178 2HG2 ILE 19 HG22 ILE 19 -1.219 -3.499 4.907
179 3HG2 ILE 19 HG23 ILE 19 -0.230 -2.737 3.667
180 1HD1 ILE 19 HD11 ILE 19 -3.431 -3.566 5.057
181 2HD1 ILE 19 HD12 ILE 19 -4.387 -2.697 6.257
182 3HD1 ILE 19 HD13 ILE 19 -2.828 -3.390 6.705
183 H LEU 20 HN LEU 20 -1.651 0.337 1.675
184 HA LEU 20 HA LEU 20 0.369 -1.092 0.257
185 1HB LEU 20 HB2 LEU 20 -0.408 -0.055 -1.718
186 2HB LEU 20 HB1 LEU 20 -1.822 -0.408 -0.750
187 HG LEU 20 HG LEU 20 -0.966 2.242 -0.147
188 1HD1 LEU 20 HD11 LEU 20 -1.698 2.130 -3.014
189 2HD1 LEU 20 HD12 LEU 20 -0.024 1.777 -2.587
190 3HD1 LEU 20 HD13 LEU 20 -0.743 3.323 -2.134
191 1HD2 LEU 20 HD21 LEU 20 -3.198 2.773 -0.695
192 2HD2 LEU 20 HD22 LEU 20 -3.201 1.168 0.039
193 3HD2 LEU 20 HD23 LEU 20 -3.358 1.336 -1.710
194 H VAL 21 HN VAL 21 -0.170 2.096 1.464
195 HA VAL 21 HA VAL 21 2.004 3.492 0.495
196 HB VAL 21 HB VAL 21 0.358 3.473 2.952
197 1HG1 VAL 21 HG11 VAL 21 1.576 5.190 3.977
198 2HG1 VAL 21 HG12 VAL 21 2.581 5.425 2.544
199 3HG1 VAL 21 HG13 VAL 21 2.736 3.945 3.498
200 1HG2 VAL 21 HG21 VAL 21 -0.553 4.423 0.916
201 2HG2 VAL 21 HG22 VAL 21 0.804 5.552 0.819
202 3HG2 VAL 21 HG23 VAL 21 -0.348 5.667 2.152
203 H PHE 22 HN PHE 22 1.447 1.678 3.443
204 HA PHE 22 HA PHE 22 3.910 1.820 4.688
205 1HB PHE 22 HB2 PHE 22 2.452 0.836 6.086
206 2HB PHE 22 HB1 PHE 22 1.475 0.230 4.769
207 HD1 PHE 22 HD1 PHE 22 1.325 -1.909 4.449
208 HD2 PHE 22 HD2 PHE 22 4.738 -0.319 6.311
209 HE1 PHE 22 HE1 PHE 22 2.183 -4.196 4.754
210 HE2 PHE 22 HE2 PHE 22 5.642 -2.575 6.651
211 HZ PHE 22 HZ PHE 22 4.363 -4.537 5.855
212 H LEU 23 HN LEU 23 2.755 -0.059 2.018
213 HA LEU 23 HA LEU 23 5.179 -1.766 2.026
214 1HB LEU 23 HB2 LEU 23 2.917 -1.531 0.057
215 2HB LEU 23 HB1 LEU 23 4.315 -2.554 -0.214
216 HG LEU 23 HG LEU 23 3.461 -3.382 2.259
217 1HD1 LEU 23 HD11 LEU 23 1.452 -1.816 1.349
218 2HD1 LEU 23 HD12 LEU 23 1.259 -3.139 2.511
219 3HD1 LEU 23 HD13 LEU 23 0.932 -3.413 0.797
220 1HD2 LEU 23 HD21 LEU 23 3.867 -5.186 0.987
221 2HD2 LEU 23 HD22 LEU 23 3.407 -4.354 -0.497
222 3HD2 LEU 23 HD23 LEU 23 2.168 -5.076 0.529
223 H LYS 24 HN LYS 24 3.889 0.979 0.467
224 HA LYS 24 HA LYS 24 5.678 1.214 -1.678
225 1HB LYS 24 HB2 LYS 24 3.473 2.588 -0.519
226 2HB LYS 24 HB1 LYS 24 4.707 3.751 -0.877
227 1HG LYS 24 HG2 LYS 24 3.960 3.726 -2.972
228 2HG LYS 24 HG1 LYS 24 4.569 2.073 -3.084
229 1HD LYS 24 HD2 LYS 24 2.304 1.542 -1.839
230 2HD LYS 24 HD1 LYS 24 1.802 3.039 -2.633
231 1HE LYS 24 HE2 LYS 24 1.355 1.778 -4.423
232 2HE LYS 24 HE1 LYS 24 3.100 1.659 -4.639
233 1HZ LYS 24 HZ1 LYS 24 1.273 -0.386 -4.045
234 2HZ LYS 24 HZ2 LYS 24 2.346 -0.246 -2.745
235 3HZ LYS 24 HZ3 LYS 24 2.941 -0.508 -4.306
236 H THR 25 HN THR 25 5.591 2.480 1.543
237 HA THR 25 HA THR 25 7.923 4.057 1.358
238 HB THR 25 HB THR 25 6.328 4.697 2.991
239 HG1 THR 25 HG1 THR 25 7.521 4.481 4.949
240 1HG2 THR 25 HG21 THR 25 6.504 2.293 4.670
241 2HG2 THR 25 HG22 THR 25 5.571 2.130 3.180
242 3HG2 THR 25 HG23 THR 25 5.145 3.371 4.361
243 H ARG 26 HN ARG 26 7.155 0.845 2.683
244 HA ARG 26 HA ARG 26 9.673 0.280 3.780
245 1HB ARG 26 HB2 ARG 26 7.544 -1.436 2.534
246 2HB ARG 26 HB1 ARG 26 8.998 -2.137 3.238
247 1HG ARG 26 HG2 ARG 26 6.750 -0.706 4.595
248 2HG ARG 26 HG1 ARG 26 7.405 -2.299 4.924
249 1HD ARG 26 HD2 ARG 26 8.877 0.281 5.393
250 2HD ARG 26 HD1 ARG 26 7.968 -0.580 6.630
251 HE ARG 26 HE ARG 26 10.547 -1.302 5.544
252 1HH1 ARG 26 1HH1 ARG 26 7.739 -2.390 7.313
253 2HH1 ARG 26 2HH1 ARG 26 8.579 -3.689 8.089
254 1HH2 ARG 26 1HH2 ARG 26 11.649 -3.014 6.568
255 2HH2 ARG 26 2HH2 ARG 26 10.795 -4.044 7.667
256 H VAL 27 HN VAL 27 8.383 -0.062 0.573
257 HA VAL 27 HA VAL 27 10.640 -1.284 -0.656
258 HB VAL 27 HB VAL 27 8.005 -0.194 -1.419
259 1HG1 VAL 27 HG11 VAL 27 8.590 -0.419 -3.848
260 2HG1 VAL 27 HG12 VAL 27 10.282 -0.372 -3.353
261 3HG1 VAL 27 HG13 VAL 27 9.225 0.997 -3.013
262 1HG2 VAL 27 HG21 VAL 27 7.856 -2.329 -2.628
263 2HG2 VAL 27 HG22 VAL 27 8.284 -2.548 -0.931
264 3HG2 VAL 27 HG23 VAL 27 9.524 -2.685 -2.178
265 H LEU 28 HN LEU 28 9.690 1.892 0.171
266 HA LEU 28 HA LEU 28 11.250 3.309 -1.729
267 1HB LEU 28 HB2 LEU 28 9.943 5.019 -1.101
268 2HB LEU 28 HB1 LEU 28 9.015 3.833 -0.258
269 HG LEU 28 HG LEU 28 10.208 4.328 1.802
270 1HD1 LEU 28 HD11 LEU 28 11.961 5.766 0.016
271 2HD1 LEU 28 HD12 LEU 28 12.215 5.259 1.686
272 3HD1 LEU 28 HD13 LEU 28 11.405 6.788 1.342
273 1HD2 LEU 28 HD21 LEU 28 8.728 5.929 2.279
274 2HD2 LEU 28 HD22 LEU 28 8.259 5.840 0.582
275 3HD2 LEU 28 HD23 LEU 28 9.433 7.045 1.110
276 H LYS 29 HN LYS 29 11.228 2.731 1.689
277 HA LYS 29 HA LYS 29 13.716 3.951 2.224
278 1HB LYS 29 HB2 LYS 29 13.528 3.125 4.450
279 2HB LYS 29 HB1 LYS 29 11.906 3.563 3.940
280 1HG LYS 29 HG2 LYS 29 11.374 1.233 3.535
281 2HG LYS 29 HG1 LYS 29 13.024 0.765 3.956
282 1HD LYS 29 HD2 LYS 29 11.419 2.340 5.913
283 2HD LYS 29 HD1 LYS 29 11.087 0.618 5.724
284 1HE LYS 29 HE2 LYS 29 12.792 0.187 7.082
285 2HE LYS 29 HE1 LYS 29 13.881 0.861 5.870
286 1HZ LYS 29 HZ1 LYS 29 13.492 1.826 8.386
287 2HZ LYS 29 HZ2 LYS 29 12.588 2.886 7.428
288 3HZ LYS 29 HZ3 LYS 29 14.233 2.656 7.112
289 H ARG 30 HN ARG 30 12.691 0.954 1.079
290 HA ARG 30 HA ARG 30 15.118 -0.466 1.566
291 1HB ARG 30 HB2 ARG 30 12.523 -0.946 0.225
292 2HB ARG 30 HB1 ARG 30 13.854 -1.972 -0.226
293 1HG ARG 30 HG2 ARG 30 13.654 -1.700 2.623
294 2HG ARG 30 HG1 ARG 30 12.132 -2.239 1.928
295 1HD ARG 30 HD2 ARG 30 14.709 -3.538 1.132
296 2HD ARG 30 HD1 ARG 30 13.895 -4.011 2.622
297 HE ARG 30 HE ARG 30 11.927 -4.190 0.790
298 1HH1 ARG 30 1HH1 ARG 30 15.183 -5.448 0.875
299 2HH1 ARG 30 2HH1 ARG 30 14.800 -6.842 -0.077
300 1HH2 ARG 30 1HH2 ARG 30 11.426 -6.022 -0.460
301 2HH2 ARG 30 2HH2 ARG 30 12.669 -7.167 -0.838
302 H TRP 31 HN TRP 31 13.579 1.457 -0.824
303 HA TRP 31 HA TRP 31 15.252 0.964 -3.010
304 1HB TRP 31 HB2 TRP 31 12.882 2.321 -2.384
305 2HB TRP 31 HB1 TRP 31 13.963 3.492 -3.028
306 HD1 TRP 31 HD1 TRP 31 12.015 0.562 -3.948
307 HE1 TRP 31 HE1 TRP 31 12.183 0.183 -6.481
308 HE3 TRP 31 HE3 TRP 31 15.546 3.794 -4.725
309 HZ2 TRP 31 HZ2 TRP 31 13.749 1.243 -8.592
310 HZ3 TRP 31 HZ3 TRP 31 16.464 4.179 -7.038
311 HH2 TRP 31 HH2 TRP 31 15.563 2.901 -8.941
312 H ARG 32 HN ARG 32 14.949 3.330 -0.346
313 HA ARG 32 HA ARG 32 17.050 5.068 -1.066
314 1HB ARG 32 HB2 ARG 32 15.963 4.080 1.535
315 2HB ARG 32 HB1 ARG 32 17.059 5.461 1.412
316 1HG ARG 32 HG2 ARG 32 15.410 6.631 0.057
317 2HG ARG 32 HG1 ARG 32 14.329 5.258 0.163
318 1HD ARG 32 HD2 ARG 32 13.559 6.715 1.800
319 2HD ARG 32 HD1 ARG 32 14.495 5.509 2.667
320 HE ARG 32 HE ARG 32 16.304 7.155 2.782
321 1HH1 ARG 32 1HH1 ARG 32 13.088 8.344 2.074
322 2HH1 ARG 32 2HH1 ARG 32 13.425 9.940 2.648
323 1HH2 ARG 32 1HH2 ARG 32 16.733 9.255 3.533
324 2HH2 ARG 32 2HH2 ARG 32 15.490 10.459 3.473
325 H LEU 33 HN LEU 33 16.818 2.239 0.903
326 HA LEU 33 HA LEU 33 19.411 1.882 1.790
327 1HB LEU 33 HB2 LEU 33 16.907 0.346 1.400
328 2HB LEU 33 HB1 LEU 33 18.316 -0.505 1.879
329 HG LEU 33 HG LEU 33 16.486 0.721 3.484
330 1HD1 LEU 33 HD11 LEU 33 19.262 0.191 4.465
331 2HD1 LEU 33 HD12 LEU 33 18.222 -1.134 3.941
332 3HD1 LEU 33 HD13 LEU 33 17.724 -0.098 5.278
333 1HD2 LEU 33 HD21 LEU 33 17.598 2.852 2.761
334 2HD2 LEU 33 HD22 LEU 33 18.991 2.331 3.709
335 3HD2 LEU 33 HD23 LEU 33 17.439 2.604 4.503
336 H PHE 34 HN PHE 34 17.596 0.774 -0.884
337 HA PHE 34 HA PHE 34 19.611 -0.973 -1.937
338 1HB PHE 34 HB2 PHE 34 16.890 -0.254 -2.540
339 2HB PHE 34 HB1 PHE 34 17.840 -0.565 -3.963
340 HD1 PHE 34 HD1 PHE 34 16.990 -2.643 -4.636
341 HD2 PHE 34 HD2 PHE 34 18.259 -1.940 -0.664
342 HE1 PHE 34 HE1 PHE 34 16.845 -5.039 -4.187
343 HE2 PHE 34 HE2 PHE 34 18.123 -4.338 -0.183
344 HZ PHE 34 HZ PHE 34 17.408 -5.920 -1.946
345 H SER 35 HN SER 35 18.813 2.236 -2.005
346 HA SER 35 HA SER 35 20.411 2.763 -4.452
347 1HB SER 35 HB2 SER 35 18.143 4.075 -3.440
348 2HB SER 35 HB1 SER 35 19.482 5.188 -3.190
349 HG SER 35 HG SER 35 18.819 3.917 -5.635
350 H LYS 36 HN LYS 36 20.519 3.153 -0.985
351 HA LYS 36 HA LYS 36 22.836 4.870 -1.089
352 1HB LYS 36 HB2 LYS 36 22.557 5.178 1.152
353 2HB LYS 36 HB1 LYS 36 20.936 4.659 0.735
354 1HG LYS 36 HG2 LYS 36 21.264 2.521 1.640
355 2HG LYS 36 HG1 LYS 36 23.015 2.723 1.699
356 1HD LYS 36 HD2 LYS 36 22.002 2.917 3.923
357 2HD LYS 36 HD1 LYS 36 22.786 4.418 3.426
358 1HE LYS 36 HE2 LYS 36 20.142 4.607 2.522
359 2HE LYS 36 HE1 LYS 36 20.040 3.933 4.146
360 1HZ LYS 36 HZ1 LYS 36 21.293 5.772 4.996
361 2HZ LYS 36 HZ2 LYS 36 19.994 6.380 4.101
362 3HZ LYS 36 HZ3 LYS 36 21.551 6.390 3.442
363 H HIS 37 HN HIS 37 22.209 1.524 -0.968
364 HA HIS 37 HA HIS 37 24.742 0.702 0.053
365 1HB HIS 37 HB2 HIS 37 22.274 -0.553 -0.793
366 2HB HIS 37 HB1 HIS 37 23.664 -1.414 -1.419
367 HD1 HIS 37 HD1 HIS 37 23.916 -3.379 0.081
368 HD2 HIS 37 HD2 HIS 37 23.225 0.130 2.195
369 HE1 HIS 37 HE1 HIS 37 24.118 -4.007 2.507
370 HE2 HIS 37 HE2 HIS 37 23.761 -1.853 3.768
371 H GLU 38 HN GLU 38 23.278 0.699 -3.182
372 HA GLU 38 HA GLU 38 25.908 1.100 -4.352
373 1HB GLU 38 HB2 GLU 38 25.587 -0.740 -5.982
374 2HB GLU 38 HB1 GLU 38 25.767 -1.309 -4.328
375 1HG GLU 38 HG2 GLU 38 22.996 -0.890 -4.897
376 2HG GLU 38 HG1 GLU 38 23.717 -1.897 -6.153
Start of MODEL 9
1 1H VAL 1 HT1 VAL 1 -29.639 -4.601 3.921
2 2H VAL 1 HT2 VAL 1 -29.718 -5.736 5.205
3 3H VAL 1 HT3 VAL 1 -28.250 -5.511 4.345
4 HA VAL 1 HA VAL 1 -29.579 -3.741 6.257
5 HB VAL 1 HB VAL 1 -27.341 -3.678 7.268
6 1HG1 VAL 1 HG11 VAL 1 -28.605 -5.287 8.310
7 2HG1 VAL 1 HG12 VAL 1 -27.236 -6.251 7.754
8 3HG1 VAL 1 HG13 VAL 1 -28.752 -6.271 6.854
9 1HG2 VAL 1 HG21 VAL 1 -26.303 -5.942 5.714
10 2HG2 VAL 1 HG22 VAL 1 -25.478 -4.508 6.325
11 3HG2 VAL 1 HG23 VAL 1 -26.402 -4.420 4.827
12 H MET 2 HN MET 2 -28.519 -1.632 6.567
13 HA MET 2 HA MET 2 -28.230 -0.285 4.083
14 1HB MET 2 HB2 MET 2 -28.470 0.407 6.941
15 2HB MET 2 HB1 MET 2 -27.596 1.553 5.954
16 1HG MET 2 HG2 MET 2 -30.280 0.526 5.154
17 2HG MET 2 HG1 MET 2 -30.103 1.887 6.260
18 1HE MET 2 HE1 MET 2 -30.175 0.478 2.952
19 2HE MET 2 HE2 MET 2 -28.550 0.940 2.444
20 3HE MET 2 HE3 MET 2 -29.951 1.807 1.815
21 HA PRO 3 HA PRO 3 -23.693 0.199 5.385
22 1HB PRO 3 HB2 PRO 3 -22.867 -0.236 7.839
23 2HB PRO 3 HB1 PRO 3 -24.097 1.003 7.599
24 1HG PRO 3 HG2 PRO 3 -24.466 -1.857 8.416
25 2HG PRO 3 HG1 PRO 3 -25.083 -0.395 9.220
26 1HD PRO 3 HD2 PRO 3 -26.531 -1.884 7.391
27 2HD PRO 3 HD1 PRO 3 -26.814 -0.163 7.723
28 H LYS 4 HN LYS 4 -21.885 -1.566 6.892
29 HA LYS 4 HA LYS 4 -20.902 -3.605 6.864
30 1HB LYS 4 HB2 LYS 4 -23.321 -4.360 7.271
31 2HB LYS 4 HB1 LYS 4 -23.351 -4.754 5.558
32 1HG LYS 4 HG2 LYS 4 -22.837 -6.743 6.758
33 2HG LYS 4 HG1 LYS 4 -21.368 -6.218 5.933
34 1HD LYS 4 HD2 LYS 4 -20.361 -5.516 7.906
35 2HD LYS 4 HD1 LYS 4 -21.902 -5.386 8.759
36 1HE LYS 4 HE2 LYS 4 -21.264 -7.345 9.673
37 2HE LYS 4 HE1 LYS 4 -21.896 -8.018 8.171
38 1HZ LYS 4 HZ1 LYS 4 -19.503 -8.600 9.010
39 2HZ LYS 4 HZ2 LYS 4 -19.099 -7.150 8.239
40 3HZ LYS 4 HZ3 LYS 4 -19.816 -8.402 7.358
41 H GLN 5 HN GLN 5 -22.491 -2.449 3.959
42 HA GLN 5 HA GLN 5 -20.639 -3.972 2.321
43 1HB GLN 5 HB2 GLN 5 -22.395 -4.019 0.905
44 2HB GLN 5 HB1 GLN 5 -23.294 -2.997 2.008
45 1HG GLN 5 HG2 GLN 5 -23.385 -1.800 0.083
46 2HG GLN 5 HG1 GLN 5 -22.022 -1.052 0.876
47 1HE2 GLN 5 HE21 GLN 5 -20.226 -3.208 0.213
48 2HE2 GLN 5 HE22 GLN 5 -19.976 -3.107 -1.472
49 H ILE 6 HN ILE 6 -21.246 -0.832 3.531
50 HA ILE 6 HA ILE 6 -19.305 0.439 1.841
51 HB ILE 6 HB ILE 6 -19.775 2.382 3.491
52 1HG1 ILE 6 HG12 ILE 6 -22.010 2.412 4.429
53 2HG1 ILE 6 HG11 ILE 6 -22.311 0.781 3.886
54 1HG2 ILE 6 HG21 ILE 6 -21.591 3.105 2.059
55 2HG2 ILE 6 HG22 ILE 6 -21.816 1.441 1.513
56 3HG2 ILE 6 HG23 ILE 6 -20.321 2.300 1.134
57 1HD1 ILE 6 HD11 ILE 6 -21.164 -0.121 5.611
58 2HD1 ILE 6 HD12 ILE 6 -21.522 1.432 6.365
59 3HD1 ILE 6 HD13 ILE 6 -19.951 1.162 5.608
60 H VAL 7 HN VAL 7 -19.640 -1.026 4.948
61 HA VAL 7 HA VAL 7 -17.303 0.072 6.166
62 HB VAL 7 HB VAL 7 -19.475 -1.040 7.218
63 1HG1 VAL 7 HG11 VAL 7 -19.120 -3.314 7.959
64 2HG1 VAL 7 HG12 VAL 7 -17.583 -3.384 7.097
65 3HG1 VAL 7 HG13 VAL 7 -19.094 -3.242 6.198
66 1HG2 VAL 7 HG21 VAL 7 -18.254 -1.326 9.269
67 2HG2 VAL 7 HG22 VAL 7 -17.659 0.082 8.389
68 3HG2 VAL 7 HG23 VAL 7 -16.736 -1.419 8.378
69 H TYR 8 HN TYR 8 -18.298 -2.788 4.472
70 HA TYR 8 HA TYR 8 -15.960 -4.365 4.595
71 1HB TYR 8 HB2 TYR 8 -18.469 -4.530 3.373
72 2HB TYR 8 HB1 TYR 8 -17.329 -4.489 2.032
73 HD1 TYR 8 HD1 TYR 8 -17.154 -6.683 1.268
74 HD2 TYR 8 HD2 TYR 8 -16.993 -5.901 5.426
75 HE1 TYR 8 HE1 TYR 8 -16.542 -8.978 1.674
76 HE2 TYR 8 HE2 TYR 8 -16.379 -8.137 5.848
77 HH TYR 8 HH TYR 8 -16.664 -10.634 3.572
78 H TRP 9 HN TRP 9 -17.239 -1.969 2.355
79 HA TRP 9 HA TRP 9 -15.110 -1.875 0.502
80 1HB TRP 9 HB2 TRP 9 -17.445 -0.245 1.256
81 2HB TRP 9 HB1 TRP 9 -16.084 0.708 0.663
82 HD1 TRP 9 HD1 TRP 9 -18.963 -1.114 -0.531
83 HE1 TRP 9 HE1 TRP 9 -18.720 -1.452 -3.105
84 HE3 TRP 9 HE3 TRP 9 -14.180 0.102 -0.998
85 HZ2 TRP 9 HZ2 TRP 9 -16.730 -1.213 -5.051
86 HZ3 TRP 9 HZ3 TRP 9 -13.106 0.058 -3.222
87 HH2 TRP 9 HH2 TRP 9 -14.392 -0.601 -5.207
88 H LYS 10 HN LYS 10 -16.067 0.300 2.969
89 HA LYS 10 HA LYS 10 -13.903 1.950 3.210
90 1HB LYS 10 HB2 LYS 10 -15.898 2.472 4.376
91 2HB LYS 10 HB1 LYS 10 -15.871 0.949 5.248
92 1HG LYS 10 HG2 LYS 10 -13.504 2.143 5.964
93 2HG LYS 10 HG1 LYS 10 -14.644 3.482 5.892
94 1HD LYS 10 HD2 LYS 10 -15.686 1.083 7.209
95 2HD LYS 10 HD1 LYS 10 -14.306 1.816 8.032
96 1HE LYS 10 HE2 LYS 10 -16.785 3.309 7.186
97 2HE LYS 10 HE1 LYS 10 -16.508 2.675 8.807
98 1HZ LYS 10 HZ1 LYS 10 -14.275 4.079 8.417
99 2HZ LYS 10 HZ2 LYS 10 -15.663 4.712 9.149
100 3HZ LYS 10 HZ3 LYS 10 -15.366 5.001 7.509
101 H GLN 11 HN GLN 11 -14.434 -1.092 4.989
102 HA GLN 11 HA GLN 11 -11.876 -0.909 6.272
103 1HB GLN 11 HB2 GLN 11 -12.401 -2.975 7.292
104 2HB GLN 11 HB1 GLN 11 -13.925 -2.117 7.181
105 1HG GLN 11 HG2 GLN 11 -14.562 -3.424 5.257
106 2HG GLN 11 HG1 GLN 11 -12.996 -4.213 5.242
107 1HE2 GLN 11 HE21 GLN 11 -13.557 -3.992 8.451
108 2HE2 GLN 11 HE22 GLN 11 -14.416 -5.467 8.702
109 H TRP 12 HN TRP 12 -12.530 -1.368 3.210
110 HA TRP 12 HA TRP 12 -10.353 -3.306 2.731
111 1HB TRP 12 HB2 TRP 12 -12.673 -3.728 1.782
112 2HB TRP 12 HB1 TRP 12 -12.426 -2.376 0.749
113 HD1 TRP 12 HD1 TRP 12 -11.718 -5.940 1.028
114 HE1 TRP 12 HE1 TRP 12 -10.203 -6.666 -0.903
115 HE3 TRP 12 HE3 TRP 12 -10.574 -1.425 -0.611
116 HZ2 TRP 12 HZ2 TRP 12 -8.710 -5.407 -2.947
117 HZ3 TRP 12 HZ3 TRP 12 -9.089 -1.142 -2.599
118 HH2 TRP 12 HH2 TRP 12 -8.165 -3.147 -3.749
119 H LEU 13 HN LEU 13 -11.556 -0.074 1.889
120 HA LEU 13 HA LEU 13 -9.040 0.371 0.453
121 1HB LEU 13 HB2 LEU 13 -10.097 1.941 -0.798
122 2HB LEU 13 HB1 LEU 13 -11.514 1.027 -0.330
123 HG LEU 13 HG LEU 13 -12.161 3.238 -0.030
124 1HD1 LEU 13 HD11 LEU 13 -12.897 3.186 2.068
125 2HD1 LEU 13 HD12 LEU 13 -11.270 3.108 2.743
126 3HD1 LEU 13 HD13 LEU 13 -12.054 1.641 2.162
127 1HD2 LEU 13 HD21 LEU 13 -9.511 3.834 -0.007
128 2HD2 LEU 13 HD22 LEU 13 -9.971 4.196 1.656
129 3HD2 LEU 13 HD23 LEU 13 -10.806 4.985 0.318
130 H SER 14 HN SER 14 -10.357 0.798 3.505
131 HA SER 14 HA SER 14 -8.915 3.237 4.062
132 1HB SER 14 HB2 SER 14 -11.122 2.092 5.244
133 2HB SER 14 HB1 SER 14 -9.844 1.677 6.374
134 HG SER 14 HG SER 14 -10.609 3.659 6.979
135 H LEU 15 HN LEU 15 -8.722 -0.179 4.833
136 HA LEU 15 HA LEU 15 -6.219 0.133 6.179
137 1HB LEU 15 HB2 LEU 15 -7.699 -2.369 5.390
138 2HB LEU 15 HB1 LEU 15 -6.384 -2.240 6.541
139 HG LEU 15 HG LEU 15 -8.211 -2.340 7.943
140 1HD1 LEU 15 HD11 LEU 15 -8.014 0.608 7.351
141 2HD1 LEU 15 HD12 LEU 15 -6.906 -0.285 8.399
142 3HD1 LEU 15 HD13 LEU 15 -8.606 -0.125 8.844
143 1HD2 LEU 15 HD21 LEU 15 -10.213 -2.255 7.013
144 2HD2 LEU 15 HD22 LEU 15 -9.518 -1.492 5.572
145 3HD2 LEU 15 HD23 LEU 15 -10.077 -0.496 6.924
146 H ARG 16 HN ARG 16 -7.293 -1.787 3.405
147 HA ARG 16 HA ARG 16 -4.808 -2.561 2.521
148 1HB ARG 16 HB2 ARG 16 -7.413 -2.135 1.213
149 2HB ARG 16 HB1 ARG 16 -6.025 -2.364 0.170
150 1HG ARG 16 HG2 ARG 16 -5.800 -4.532 0.736
151 2HG ARG 16 HG1 ARG 16 -6.257 -4.231 2.414
152 1HD ARG 16 HD2 ARG 16 -8.372 -4.811 2.044
153 2HD ARG 16 HD1 ARG 16 -8.465 -3.807 0.602
154 HE ARG 16 HE ARG 16 -7.792 -5.645 -0.701
155 1HH1 ARG 16 1HH1 ARG 16 -8.023 -6.474 2.688
156 2HH1 ARG 16 2HH1 ARG 16 -8.043 -8.179 2.391
157 1HH2 ARG 16 1HH2 ARG 16 -7.816 -7.883 -1.081
158 2HH2 ARG 16 2HH2 ARG 16 -7.924 -8.978 0.256
159 H ASN 17 HN ASN 17 -6.181 0.531 2.361
160 HA ASN 17 HA ASN 17 -4.684 1.635 0.260
161 1HB ASN 17 HB2 ASN 17 -6.541 2.494 2.268
162 2HB ASN 17 HB1 ASN 17 -5.300 3.667 2.052
163 1HD2 ASN 17 HD21 ASN 17 -7.363 4.786 1.393
164 2HD2 ASN 17 HD22 ASN 17 -7.732 4.744 -0.286
165 HA PRO 18 HA PRO 18 -1.745 3.703 3.417
166 1HB PRO 18 HB2 PRO 18 -1.994 2.835 6.028
167 2HB PRO 18 HB1 PRO 18 -2.593 4.369 5.394
168 1HG PRO 18 HG2 PRO 18 -4.026 1.782 5.724
169 2HG PRO 18 HG1 PRO 18 -4.583 3.425 6.092
170 1HD PRO 18 HD2 PRO 18 -5.383 2.247 3.874
171 2HD PRO 18 HD1 PRO 18 -4.884 3.945 3.833
172 H ILE 19 HN ILE 19 -2.829 0.496 3.618
173 HA ILE 19 HA ILE 19 -0.442 -0.629 4.696
174 HB ILE 19 HB ILE 19 -2.752 -1.907 3.261
175 1HG1 ILE 19 HG12 ILE 19 -1.933 -1.604 6.139
176 2HG1 ILE 19 HG11 ILE 19 -3.409 -1.055 5.383
177 1HG2 ILE 19 HG21 ILE 19 -0.167 -3.004 3.717
178 2HG2 ILE 19 HG22 ILE 19 -1.596 -3.797 3.059
179 3HG2 ILE 19 HG23 ILE 19 -1.302 -3.807 4.797
180 1HD1 ILE 19 HD11 ILE 19 -4.169 -3.344 5.134
181 2HD1 ILE 19 HD12 ILE 19 -3.787 -2.987 6.818
182 3HD1 ILE 19 HD13 ILE 19 -2.663 -3.930 5.840
183 H LEU 20 HN LEU 20 -1.613 -0.116 1.475
184 HA LEU 20 HA LEU 20 0.461 -1.575 0.170
185 1HB LEU 20 HB2 LEU 20 -0.312 -0.673 -1.877
186 2HB LEU 20 HB1 LEU 20 -1.722 -1.038 -0.909
187 HG LEU 20 HG LEU 20 -0.991 1.686 -0.457
188 1HD1 LEU 20 HD11 LEU 20 -0.413 2.511 -2.433
189 2HD1 LEU 20 HD12 LEU 20 -1.817 1.761 -3.192
190 3HD1 LEU 20 HD13 LEU 20 -0.304 0.866 -3.060
191 1HD2 LEU 20 HD21 LEU 20 -3.248 2.080 -1.105
192 2HD2 LEU 20 HD22 LEU 20 -3.178 0.578 -0.183
193 3HD2 LEU 20 HD23 LEU 20 -3.330 0.526 -1.940
194 H VAL 21 HN VAL 21 -0.155 1.678 1.141
195 HA VAL 21 HA VAL 21 2.031 3.028 0.090
196 HB VAL 21 HB VAL 21 0.303 3.201 2.484
197 1HG1 VAL 21 HG11 VAL 21 2.641 3.792 3.062
198 2HG1 VAL 21 HG12 VAL 21 1.444 5.061 3.358
199 3HG1 VAL 21 HG13 VAL 21 2.502 5.153 1.948
200 1HG2 VAL 21 HG21 VAL 21 0.757 5.065 0.162
201 2HG2 VAL 21 HG22 VAL 21 -0.425 5.295 1.453
202 3HG2 VAL 21 HG23 VAL 21 -0.578 3.923 0.349
203 H PHE 22 HN PHE 22 1.388 1.486 3.178
204 HA PHE 22 HA PHE 22 3.782 1.800 4.504
205 1HB PHE 22 HB2 PHE 22 2.303 0.887 5.919
206 2HB PHE 22 HB1 PHE 22 1.398 0.147 4.618
207 HD1 PHE 22 HD1 PHE 22 4.598 -0.170 6.338
208 HD2 PHE 22 HD2 PHE 22 1.328 -2.015 4.458
209 HE1 PHE 22 HE1 PHE 22 5.559 -2.360 6.888
210 HE2 PHE 22 HE2 PHE 22 2.238 -4.241 4.987
211 HZ PHE 22 HZ PHE 22 4.378 -4.421 6.199
212 H LEU 23 HN LEU 23 2.817 -0.328 1.942
213 HA LEU 23 HA LEU 23 5.296 -1.937 2.196
214 1HB LEU 23 HB2 LEU 23 3.140 -1.924 0.097
215 2HB LEU 23 HB1 LEU 23 4.572 -2.932 -0.003
216 HG LEU 23 HG LEU 23 3.552 -3.551 2.485
217 1HD1 LEU 23 HD11 LEU 23 1.180 -3.792 0.772
218 2HD1 LEU 23 HD12 LEU 23 1.586 -2.158 1.313
219 3HD1 LEU 23 HD13 LEU 23 1.313 -3.443 2.499
220 1HD2 LEU 23 HD21 LEU 23 3.506 -5.648 1.634
221 2HD2 LEU 23 HD22 LEU 23 4.313 -4.887 0.263
222 3HD2 LEU 23 HD23 LEU 23 2.572 -5.165 0.219
223 H LYS 24 HN LYS 24 3.987 0.616 0.328
224 HA LYS 24 HA LYS 24 5.898 0.753 -1.700
225 1HB LYS 24 HB2 LYS 24 3.591 2.135 -0.801
226 2HB LYS 24 HB1 LYS 24 4.817 3.320 -1.118
227 1HG LYS 24 HG2 LYS 24 4.220 3.162 -3.251
228 2HG LYS 24 HG1 LYS 24 4.955 1.559 -3.231
229 1HD LYS 24 HD2 LYS 24 2.949 0.738 -3.720
230 2HD LYS 24 HD1 LYS 24 2.493 1.155 -2.063
231 1HE LYS 24 HE2 LYS 24 1.005 1.994 -3.987
232 2HE LYS 24 HE1 LYS 24 1.461 3.142 -2.730
233 1HZ LYS 24 HZ1 LYS 24 3.211 2.966 -5.055
234 2HZ LYS 24 HZ2 LYS 24 2.750 4.317 -4.147
235 3HZ LYS 24 HZ3 LYS 24 1.693 3.674 -5.300
236 H THR 25 HN THR 25 5.601 2.266 1.406
237 HA THR 25 HA THR 25 7.890 3.886 1.253
238 HB THR 25 HB THR 25 6.229 4.496 2.833
239 HG1 THR 25 HG1 THR 25 7.408 4.609 4.699
240 1HG2 THR 25 HG21 THR 25 5.183 3.168 4.368
241 2HG2 THR 25 HG22 THR 25 6.518 2.019 4.446
242 3HG2 THR 25 HG23 THR 25 5.437 2.021 3.049
243 H ARG 26 HN ARG 26 7.207 0.668 2.587
244 HA ARG 26 HA ARG 26 9.722 0.211 3.758
245 1HB ARG 26 HB2 ARG 26 7.663 -1.595 2.519
246 2HB ARG 26 HB1 ARG 26 9.127 -2.237 3.256
247 1HG ARG 26 HG2 ARG 26 6.821 -0.847 4.552
248 2HG ARG 26 HG1 ARG 26 7.529 -2.406 4.932
249 1HD ARG 26 HD2 ARG 26 9.591 -1.182 5.663
250 2HD ARG 26 HD1 ARG 26 8.685 0.317 5.460
251 HE ARG 26 HE ARG 26 7.097 -1.096 7.105
252 1HH1 ARG 26 1HH1 ARG 26 10.510 -0.370 7.210
253 2HH1 ARG 26 2HH1 ARG 26 10.591 -0.404 8.939
254 1HH2 ARG 26 1HH2 ARG 26 7.204 -1.139 9.380
255 2HH2 ARG 26 2HH2 ARG 26 8.716 -0.840 10.170
256 H VAL 27 HN VAL 27 8.485 -0.242 0.537
257 HA VAL 27 HA VAL 27 10.859 -1.371 -0.583
258 HB VAL 27 HB VAL 27 8.168 -0.502 -1.452
259 1HG1 VAL 27 HG11 VAL 27 9.321 0.652 -3.105
260 2HG1 VAL 27 HG12 VAL 27 8.826 -0.865 -3.855
261 3HG1 VAL 27 HG13 VAL 27 10.493 -0.643 -3.324
262 1HG2 VAL 27 HG21 VAL 27 8.785 -2.827 -0.766
263 2HG2 VAL 27 HG22 VAL 27 9.766 -2.930 -2.230
264 3HG2 VAL 27 HG23 VAL 27 8.021 -2.699 -2.351
265 H LEU 28 HN LEU 28 9.695 1.771 0.080
266 HA LEU 28 HA LEU 28 11.184 3.208 -1.861
267 1HB LEU 28 HB2 LEU 28 9.834 4.894 -1.238
268 2HB LEU 28 HB1 LEU 28 8.948 3.692 -0.374
269 HG LEU 28 HG LEU 28 10.127 4.248 1.673
270 1HD1 LEU 28 HD11 LEU 28 11.835 5.731 -0.140
271 2HD1 LEU 28 HD12 LEU 28 12.131 5.189 1.511
272 3HD1 LEU 28 HD13 LEU 28 11.289 6.711 1.222
273 1HD2 LEU 28 HD21 LEU 28 8.140 5.686 0.456
274 2HD2 LEU 28 HD22 LEU 28 9.296 6.938 0.907
275 3HD2 LEU 28 HD23 LEU 28 8.643 5.856 2.137
276 H LYS 29 HN LYS 29 11.197 2.652 1.552
277 HA LYS 29 HA LYS 29 13.663 3.909 2.094
278 1HB LYS 29 HB2 LYS 29 13.486 2.999 4.309
279 2HB LYS 29 HB1 LYS 29 11.881 3.511 3.808
280 1HG LYS 29 HG2 LYS 29 11.301 1.207 3.276
281 2HG LYS 29 HG1 LYS 29 12.916 0.684 3.754
282 1HD LYS 29 HD2 LYS 29 11.465 0.252 5.591
283 2HD LYS 29 HD1 LYS 29 12.447 1.652 6.024
284 1HE LYS 29 HE2 LYS 29 9.766 2.017 4.747
285 2HE LYS 29 HE1 LYS 29 9.891 1.691 6.475
286 1HZ LYS 29 HZ1 LYS 29 10.428 4.105 5.035
287 2HZ LYS 29 HZ2 LYS 29 11.714 3.669 6.043
288 3HZ LYS 29 HZ3 LYS 29 10.165 3.874 6.690
289 H ARG 30 HN ARG 30 12.708 0.945 0.810
290 HA ARG 30 HA ARG 30 15.137 -0.466 1.373
291 1HB ARG 30 HB2 ARG 30 14.055 -2.269 0.477
292 2HB ARG 30 HB1 ARG 30 12.645 -1.300 0.742
293 1HG ARG 30 HG2 ARG 30 12.183 -1.332 -1.409
294 2HG ARG 30 HG1 ARG 30 13.751 -0.677 -1.813
295 1HD ARG 30 HD2 ARG 30 14.485 -3.185 -1.303
296 2HD ARG 30 HD1 ARG 30 12.817 -3.486 -1.788
297 HE ARG 30 HE ARG 30 14.996 -2.608 -3.471
298 1HH1 ARG 30 1HH1 ARG 30 11.534 -2.890 -3.125
299 2HH1 ARG 30 2HH1 ARG 30 11.235 -2.836 -4.829
300 1HH2 ARG 30 1HH2 ARG 30 14.602 -2.536 -5.713
301 2HH2 ARG 30 2HH2 ARG 30 12.974 -2.633 -6.297
302 H TRP 31 HN TRP 31 13.610 1.463 -0.990
303 HA TRP 31 HA TRP 31 15.370 1.237 -3.138
304 1HB TRP 31 HB2 TRP 31 12.927 2.410 -2.484
305 2HB TRP 31 HB1 TRP 31 13.948 3.701 -2.983
306 HD1 TRP 31 HD1 TRP 31 12.186 0.779 -4.226
307 HE1 TRP 31 HE1 TRP 31 12.449 0.637 -6.776
308 HE3 TRP 31 HE3 TRP 31 15.583 4.219 -4.594
309 HZ2 TRP 31 HZ2 TRP 31 14.028 1.953 -8.731
310 HZ3 TRP 31 HZ3 TRP 31 16.551 4.853 -6.829
311 HH2 TRP 31 HH2 TRP 31 15.771 3.714 -8.868
312 H ARG 32 HN ARG 32 14.917 3.448 -0.364
313 HA ARG 32 HA ARG 32 16.983 5.274 -0.952
314 1HB ARG 32 HB2 ARG 32 15.816 4.193 1.575
315 2HB ARG 32 HB1 ARG 32 16.863 5.617 1.524
316 1HG ARG 32 HG2 ARG 32 15.230 6.744 0.105
317 2HG ARG 32 HG1 ARG 32 14.195 5.330 0.156
318 1HD ARG 32 HD2 ARG 32 13.728 5.586 2.400
319 2HD ARG 32 HD1 ARG 32 15.090 6.667 2.667
320 HE ARG 32 HE ARG 32 13.284 7.842 0.849
321 1HH1 ARG 32 1HH1 ARG 32 13.584 7.058 4.237
322 2HH1 ARG 32 2HH1 ARG 32 12.541 8.341 4.754
323 1HH2 ARG 32 1HH2 ARG 32 11.915 9.529 1.527
324 2HH2 ARG 32 2HH2 ARG 32 11.593 9.744 3.215
325 H LEU 33 HN LEU 33 16.753 2.382 0.939
326 HA LEU 33 HA LEU 33 19.321 2.075 1.911
327 1HB LEU 33 HB2 LEU 33 16.885 0.475 1.363
328 2HB LEU 33 HB1 LEU 33 18.309 -0.354 1.846
329 HG LEU 33 HG LEU 33 16.392 0.723 3.447
330 1HD1 LEU 33 HD11 LEU 33 17.490 -0.900 4.566
331 2HD1 LEU 33 HD12 LEU 33 18.440 0.444 5.199
332 3HD1 LEU 33 HD13 LEU 33 19.037 -0.490 3.827
333 1HD2 LEU 33 HD21 LEU 33 18.814 2.423 3.845
334 2HD2 LEU 33 HD22 LEU 33 17.214 2.598 4.571
335 3HD2 LEU 33 HD23 LEU 33 17.450 2.928 2.851
336 H PHE 34 HN PHE 34 17.653 1.023 -0.879
337 HA PHE 34 HA PHE 34 19.742 -0.626 -1.925
338 1HB PHE 34 HB2 PHE 34 17.051 0.110 -2.636
339 2HB PHE 34 HB1 PHE 34 18.080 -0.116 -4.019
340 HD1 PHE 34 HD1 PHE 34 18.324 -1.676 -0.783
341 HD2 PHE 34 HD2 PHE 34 17.283 -2.151 -4.853
342 HE1 PHE 34 HE1 PHE 34 18.184 -4.097 -0.450
343 HE2 PHE 34 HE2 PHE 34 17.123 -4.571 -4.551
344 HZ PHE 34 HZ PHE 34 17.573 -5.577 -2.337
345 H SER 35 HN SER 35 18.869 2.574 -1.879
346 HA SER 35 HA SER 35 20.636 3.249 -4.172
347 1HB SER 35 HB2 SER 35 18.253 4.450 -3.294
348 2HB SER 35 HB1 SER 35 19.534 5.592 -2.900
349 HG SER 35 HG SER 35 18.445 5.185 -5.239
350 H LYS 36 HN LYS 36 20.530 3.386 -0.703
351 HA LYS 36 HA LYS 36 22.750 5.229 -0.547
352 1HB LYS 36 HB2 LYS 36 22.291 5.419 1.668
353 2HB LYS 36 HB1 LYS 36 20.740 4.795 1.141
354 1HG LYS 36 HG2 LYS 36 21.245 2.618 1.936
355 2HG LYS 36 HG1 LYS 36 22.939 3.038 2.201
356 1HD LYS 36 HD2 LYS 36 21.616 2.971 4.290
357 2HD LYS 36 HD1 LYS 36 22.335 4.552 3.977
358 1HE LYS 36 HE2 LYS 36 19.600 4.087 2.940
359 2HE LYS 36 HE1 LYS 36 19.776 4.223 4.689
360 1HZ LYS 36 HZ1 LYS 36 19.342 6.342 3.380
361 2HZ LYS 36 HZ2 LYS 36 20.947 6.230 2.863
362 3HZ LYS 36 HZ3 LYS 36 20.600 6.380 4.511
363 H HIS 37 HN HIS 37 22.270 1.848 -0.621
364 HA HIS 37 HA HIS 37 24.805 1.122 0.483
365 1HB HIS 37 HB2 HIS 37 22.424 -0.226 -0.429
366 2HB HIS 37 HB1 HIS 37 23.854 -1.003 -1.079
367 HD1 HIS 37 HD1 HIS 37 24.786 -2.754 0.399
368 HD2 HIS 37 HD2 HIS 37 22.753 0.167 2.543
369 HE1 HIS 37 HE1 HIS 37 24.874 -3.501 2.799
370 HE2 HIS 37 HE2 HIS 37 23.727 -1.665 4.090
371 H GLU 38 HN GLU 38 23.452 1.151 -2.802
372 HA GLU 38 HA GLU 38 26.104 0.718 -3.911
373 1HB GLU 38 HB2 GLU 38 23.314 0.477 -4.887
374 2HB GLU 38 HB1 GLU 38 24.532 0.908 -6.076
375 1HG GLU 38 HG2 GLU 38 25.678 -1.096 -5.815
376 2HG GLU 38 HG1 GLU 38 24.931 -1.425 -4.252
Start of MODEL 10
1 1H VAL 1 HT1 VAL 1 -27.266 1.231 1.455
2 2H VAL 1 HT2 VAL 1 -28.227 0.152 0.529
3 3H VAL 1 HT3 VAL 1 -27.251 1.324 -0.257
4 HA VAL 1 HA VAL 1 -26.370 -0.938 -0.313
5 HB VAL 1 HB VAL 1 -24.074 -0.242 0.590
6 1HG1 VAL 1 HG11 VAL 1 -23.919 1.614 -1.191
7 2HG1 VAL 1 HG12 VAL 1 -25.613 1.240 -1.510
8 3HG1 VAL 1 HG13 VAL 1 -24.382 -0.009 -1.703
9 1HG2 VAL 1 HG21 VAL 1 -25.311 1.465 2.158
10 2HG2 VAL 1 HG22 VAL 1 -25.187 2.518 0.749
11 3HG2 VAL 1 HG23 VAL 1 -23.729 1.847 1.478
12 H MET 2 HN MET 2 -25.242 -2.596 0.839
13 HA MET 2 HA MET 2 -26.429 -3.277 3.298
14 1HB MET 2 HB2 MET 2 -24.505 -4.440 1.402
15 2HB MET 2 HB1 MET 2 -24.306 -4.951 3.061
16 1HG MET 2 HG2 MET 2 -26.732 -5.554 3.079
17 2HG MET 2 HG1 MET 2 -26.746 -5.225 1.347
18 1HE MET 2 HE1 MET 2 -24.492 -7.766 -0.204
19 2HE MET 2 HE2 MET 2 -25.207 -6.153 -0.241
20 3HE MET 2 HE3 MET 2 -26.236 -7.577 -0.395
21 HA PRO 3 HA PRO 3 -23.429 -1.679 6.146
22 1HB PRO 3 HB2 PRO 3 -23.630 -3.577 8.119
23 2HB PRO 3 HB1 PRO 3 -24.799 -2.292 7.846
24 1HG PRO 3 HG2 PRO 3 -25.097 -5.132 7.448
25 2HG PRO 3 HG1 PRO 3 -26.327 -3.867 7.327
26 1HD PRO 3 HD2 PRO 3 -24.888 -5.248 5.208
27 2HD PRO 3 HD1 PRO 3 -26.308 -4.194 5.095
28 H LYS 4 HN LYS 4 -23.041 -5.015 5.374
29 HA LYS 4 HA LYS 4 -20.315 -5.113 6.392
30 1HB LYS 4 HB2 LYS 4 -22.304 -7.111 5.418
31 2HB LYS 4 HB1 LYS 4 -20.597 -7.527 5.351
32 1HG LYS 4 HG2 LYS 4 -20.938 -6.516 7.906
33 2HG LYS 4 HG1 LYS 4 -22.399 -7.459 7.614
34 1HD LYS 4 HD2 LYS 4 -20.804 -8.937 8.576
35 2HD LYS 4 HD1 LYS 4 -20.906 -9.340 6.861
36 1HE LYS 4 HE2 LYS 4 -18.865 -7.353 7.702
37 2HE LYS 4 HE1 LYS 4 -18.581 -9.046 8.107
38 1HZ LYS 4 HZ1 LYS 4 -19.313 -9.212 5.532
39 2HZ LYS 4 HZ2 LYS 4 -17.710 -9.122 6.061
40 3HZ LYS 4 HZ3 LYS 4 -18.507 -7.725 5.537
41 H GLN 5 HN GLN 5 -22.011 -4.610 3.479
42 HA GLN 5 HA GLN 5 -19.852 -5.434 1.779
43 1HB GLN 5 HB2 GLN 5 -21.507 -5.591 0.276
44 2HB GLN 5 HB1 GLN 5 -22.601 -5.010 1.509
45 1HG GLN 5 HG2 GLN 5 -22.877 -3.732 -0.531
46 2HG GLN 5 HG1 GLN 5 -22.283 -2.743 0.752
47 1HE2 GLN 5 HE21 GLN 5 -20.990 -4.641 -1.876
48 2HE2 GLN 5 HE22 GLN 5 -19.807 -3.483 -2.282
49 H ILE 6 HN ILE 6 -20.968 -2.503 3.193
50 HA ILE 6 HA ILE 6 -19.179 -0.942 1.558
51 HB ILE 6 HB ILE 6 -19.906 0.916 3.148
52 1HG1 ILE 6 HG12 ILE 6 -22.146 0.657 4.083
53 2HG1 ILE 6 HG11 ILE 6 -22.136 -1.027 3.670
54 1HG2 ILE 6 HG21 ILE 6 -21.795 1.399 1.734
55 2HG2 ILE 6 HG22 ILE 6 -21.868 -0.295 1.245
56 3HG2 ILE 6 HG23 ILE 6 -20.475 0.694 0.799
57 1HD1 ILE 6 HD11 ILE 6 -20.745 -1.568 5.366
58 2HD1 ILE 6 HD12 ILE 6 -21.504 -0.147 6.076
59 3HD1 ILE 6 HD13 ILE 6 -19.911 -0.019 5.325
60 H VAL 7 HN VAL 7 -19.374 -2.447 4.657
61 HA VAL 7 HA VAL 7 -17.209 -1.052 5.891
62 HB VAL 7 HB VAL 7 -19.193 -2.452 6.948
63 1HG1 VAL 7 HG11 VAL 7 -18.517 -4.569 5.871
64 2HG1 VAL 7 HG12 VAL 7 -18.567 -4.676 7.629
65 3HG1 VAL 7 HG13 VAL 7 -17.018 -4.532 6.798
66 1HG2 VAL 7 HG21 VAL 7 -17.295 -1.145 7.991
67 2HG2 VAL 7 HG22 VAL 7 -16.503 -2.706 8.199
68 3HG2 VAL 7 HG23 VAL 7 -18.060 -2.398 8.966
69 H TYR 8 HN TYR 8 -17.780 -3.982 4.118
70 HA TYR 8 HA TYR 8 -15.243 -5.224 4.290
71 1HB TYR 8 HB2 TYR 8 -17.647 -5.803 3.057
72 2HB TYR 8 HB1 TYR 8 -16.577 -5.472 1.700
73 HD1 TYR 8 HD1 TYR 8 -15.936 -7.525 0.809
74 HD2 TYR 8 HD2 TYR 8 -15.941 -6.983 5.010
75 HE1 TYR 8 HE1 TYR 8 -14.865 -9.667 1.085
76 HE2 TYR 8 HE2 TYR 8 -14.882 -9.070 5.304
77 HH TYR 8 HH TYR 8 -13.483 -10.864 2.737
78 H TRP 9 HN TRP 9 -16.780 -2.951 2.086
79 HA TRP 9 HA TRP 9 -14.600 -2.607 0.292
80 1HB TRP 9 HB2 TRP 9 -17.175 -1.323 0.896
81 2HB TRP 9 HB1 TRP 9 -15.934 -0.193 0.347
82 HD1 TRP 9 HD1 TRP 9 -18.416 -2.495 -0.931
83 HE1 TRP 9 HE1 TRP 9 -17.984 -2.848 -3.477
84 HE3 TRP 9 HE3 TRP 9 -13.892 -0.507 -1.192
85 HZ2 TRP 9 HZ2 TRP 9 -15.953 -2.333 -5.324
86 HZ3 TRP 9 HZ3 TRP 9 -12.697 -0.429 -3.356
87 HH2 TRP 9 HH2 TRP 9 -13.742 -1.345 -5.380
88 H LYS 10 HN LYS 10 -15.962 -0.598 2.691
89 HA LYS 10 HA LYS 10 -14.073 1.357 3.020
90 1HB LYS 10 HB2 LYS 10 -16.180 1.551 4.110
91 2HB LYS 10 HB1 LYS 10 -15.936 0.053 4.990
92 1HG LYS 10 HG2 LYS 10 -13.818 1.568 5.798
93 2HG LYS 10 HG1 LYS 10 -15.111 2.754 5.636
94 1HD LYS 10 HD2 LYS 10 -16.525 1.497 7.113
95 2HD LYS 10 HD1 LYS 10 -15.368 0.165 7.154
96 1HE LYS 10 HE2 LYS 10 -14.808 2.955 8.156
97 2HE LYS 10 HE1 LYS 10 -15.313 1.610 9.179
98 1HZ LYS 10 HZ1 LYS 10 -12.919 1.899 9.222
99 2HZ LYS 10 HZ2 LYS 10 -12.835 1.704 7.544
100 3HZ LYS 10 HZ3 LYS 10 -13.319 0.411 8.521
101 H GLN 11 HN GLN 11 -14.232 -1.756 4.748
102 HA GLN 11 HA GLN 11 -11.782 -1.231 6.144
103 1HB GLN 11 HB2 GLN 11 -12.048 -3.337 7.144
104 2HB GLN 11 HB1 GLN 11 -13.684 -2.751 6.936
105 1HG GLN 11 HG2 GLN 11 -14.034 -4.177 5.062
106 2HG GLN 11 HG1 GLN 11 -12.335 -4.611 5.004
107 1HE2 GLN 11 HE21 GLN 11 -12.856 -4.591 8.226
108 2HE2 GLN 11 HE22 GLN 11 -13.377 -6.219 8.451
109 H TRP 12 HN TRP 12 -12.248 -1.730 3.046
110 HA TRP 12 HA TRP 12 -9.801 -3.319 2.664
111 1HB TRP 12 HB2 TRP 12 -11.997 -4.037 1.588
112 2HB TRP 12 HB1 TRP 12 -11.843 -2.674 0.548
113 HD1 TRP 12 HD1 TRP 12 -10.733 -6.124 0.927
114 HE1 TRP 12 HE1 TRP 12 -8.965 -6.659 -0.846
115 HE3 TRP 12 HE3 TRP 12 -10.000 -1.500 -0.648
116 HZ2 TRP 12 HZ2 TRP 12 -7.444 -5.226 -2.746
117 HZ3 TRP 12 HZ3 TRP 12 -8.370 -1.038 -2.486
118 HH2 TRP 12 HH2 TRP 12 -7.102 -2.916 -3.517
119 H LEU 13 HN LEU 13 -11.411 -0.259 1.829
120 HA LEU 13 HA LEU 13 -8.982 0.597 0.453
121 1HB LEU 13 HB2 LEU 13 -11.668 1.957 0.722
122 2HB LEU 13 HB1 LEU 13 -10.311 2.573 -0.203
123 HG LEU 13 HG LEU 13 -11.707 -0.036 -0.793
124 1HD1 LEU 13 HD11 LEU 13 -12.408 1.465 -2.850
125 2HD1 LEU 13 HD12 LEU 13 -12.247 2.754 -1.659
126 3HD1 LEU 13 HD13 LEU 13 -13.365 1.421 -1.370
127 1HD2 LEU 13 HD21 LEU 13 -10.016 1.514 -2.702
128 2HD2 LEU 13 HD22 LEU 13 -10.379 -0.211 -2.666
129 3HD2 LEU 13 HD23 LEU 13 -9.249 0.476 -1.501
130 H SER 14 HN SER 14 -10.415 0.744 3.506
131 HA SER 14 HA SER 14 -9.265 3.294 4.185
132 1HB SER 14 HB2 SER 14 -11.350 1.868 5.261
133 2HB SER 14 HB1 SER 14 -10.064 1.549 6.413
134 HG SER 14 HG SER 14 -11.554 3.690 6.274
135 H LEU 15 HN LEU 15 -8.686 -0.093 4.899
136 HA LEU 15 HA LEU 15 -6.264 0.486 6.301
137 1HB LEU 15 HB2 LEU 15 -7.387 -2.158 5.405
138 2HB LEU 15 HB1 LEU 15 -6.132 -1.896 6.597
139 HG LEU 15 HG LEU 15 -7.962 -2.282 7.944
140 1HD1 LEU 15 HD11 LEU 15 -6.956 -0.093 8.506
141 2HD1 LEU 15 HD12 LEU 15 -8.674 -0.169 8.900
142 3HD1 LEU 15 HD13 LEU 15 -8.137 0.686 7.450
143 1HD2 LEU 15 HD21 LEU 15 -9.923 -2.449 6.938
144 2HD2 LEU 15 HD22 LEU 15 -9.326 -1.498 5.568
145 3HD2 LEU 15 HD23 LEU 15 -10.049 -0.687 6.966
146 H ARG 16 HN ARG 16 -7.064 -1.407 3.425
147 HA ARG 16 HA ARG 16 -4.535 -1.916 2.516
148 1HB ARG 16 HB2 ARG 16 -7.051 -1.374 1.034
149 2HB ARG 16 HB1 ARG 16 -5.571 -1.616 0.142
150 1HG ARG 16 HG2 ARG 16 -6.935 -3.554 1.993
151 2HG ARG 16 HG1 ARG 16 -6.740 -3.691 0.244
152 1HD ARG 16 HD2 ARG 16 -4.289 -3.795 0.568
153 2HD ARG 16 HD1 ARG 16 -4.548 -3.765 2.309
154 HE ARG 16 HE ARG 16 -5.415 -5.940 0.520
155 1HH1 ARG 16 1HH1 ARG 16 -4.429 -4.796 3.677
156 2HH1 ARG 16 2HH1 ARG 16 -4.411 -6.379 4.374
157 1HH2 ARG 16 1HH2 ARG 16 -5.392 -8.014 1.450
158 2HH2 ARG 16 2HH2 ARG 16 -4.957 -8.201 3.116
159 H ASN 17 HN ASN 17 -6.222 1.055 2.460
160 HA ASN 17 HA ASN 17 -4.746 2.520 0.636
161 1HB ASN 17 HB2 ASN 17 -6.657 2.975 2.734
162 2HB ASN 17 HB1 ASN 17 -5.497 4.242 2.694
163 1HD2 ASN 17 HD21 ASN 17 -7.742 5.196 2.193
164 2HD2 ASN 17 HD22 ASN 17 -8.059 5.417 0.518
165 HA PRO 18 HA PRO 18 -1.918 4.304 4.080
166 1HB PRO 18 HB2 PRO 18 -2.089 2.989 6.511
167 2HB PRO 18 HB1 PRO 18 -2.764 4.582 6.153
168 1HG PRO 18 HG2 PRO 18 -4.073 1.911 6.068
169 2HG PRO 18 HG1 PRO 18 -4.707 3.453 6.669
170 1HD PRO 18 HD2 PRO 18 -5.450 2.562 4.299
171 2HD PRO 18 HD1 PRO 18 -5.065 4.275 4.515
172 H ILE 19 HN ILE 19 -2.828 1.026 3.847
173 HA ILE 19 HA ILE 19 -0.299 -0.074 4.645
174 HB ILE 19 HB ILE 19 -2.474 -1.366 3.021
175 1HG1 ILE 19 HG12 ILE 19 -1.849 -1.394 5.972
176 2HG1 ILE 19 HG11 ILE 19 -3.281 -0.734 5.210
177 1HG2 ILE 19 HG21 ILE 19 -0.248 -2.426 2.756
178 2HG2 ILE 19 HG22 ILE 19 -1.436 -3.476 3.527
179 3HG2 ILE 19 HG23 ILE 19 -0.204 -2.677 4.502
180 1HD1 ILE 19 HD11 ILE 19 -4.014 -2.941 4.574
181 2HD1 ILE 19 HD12 ILE 19 -3.697 -2.885 6.308
182 3HD1 ILE 19 HD13 ILE 19 -2.532 -3.644 5.223
183 H LEU 20 HN LEU 20 -1.678 0.998 1.677
184 HA LEU 20 HA LEU 20 0.256 -0.112 -0.087
185 1HB LEU 20 HB2 LEU 20 -1.465 2.350 -0.465
186 2HB LEU 20 HB1 LEU 20 -0.548 1.553 -1.725
187 HG LEU 20 HG LEU 20 -3.168 0.887 -0.595
188 1HD1 LEU 20 HD11 LEU 20 -2.169 -0.263 -3.123
189 2HD1 LEU 20 HD12 LEU 20 -2.258 1.496 -3.033
190 3HD1 LEU 20 HD13 LEU 20 -3.704 0.524 -2.758
191 1HD2 LEU 20 HD21 LEU 20 -2.952 -1.517 -0.897
192 2HD2 LEU 20 HD22 LEU 20 -1.856 -0.944 0.363
193 3HD2 LEU 20 HD23 LEU 20 -1.231 -1.333 -1.240
194 H VAL 21 HN VAL 21 -0.215 2.937 1.521
195 HA VAL 21 HA VAL 21 1.993 4.385 0.727
196 HB VAL 21 HB VAL 21 0.274 4.144 3.123
197 1HG1 VAL 21 HG11 VAL 21 2.744 5.840 2.986
198 2HG1 VAL 21 HG12 VAL 21 2.470 4.442 4.025
199 3HG1 VAL 21 HG13 VAL 21 1.518 5.916 4.256
200 1HG2 VAL 21 HG21 VAL 21 0.885 6.420 1.248
201 2HG2 VAL 21 HG22 VAL 21 -0.303 6.449 2.556
202 3HG2 VAL 21 HG23 VAL 21 -0.515 5.346 1.190
203 H PHE 22 HN PHE 22 1.436 2.304 3.488
204 HA PHE 22 HA PHE 22 3.957 2.322 4.673
205 1HB PHE 22 HB2 PHE 22 2.477 1.340 6.058
206 2HB PHE 22 HB1 PHE 22 1.468 0.824 4.737
207 HD1 PHE 22 HD1 PHE 22 4.753 0.091 6.161
208 HD2 PHE 22 HD2 PHE 22 1.201 -1.281 4.388
209 HE1 PHE 22 HE1 PHE 22 5.557 -2.212 6.407
210 HE2 PHE 22 HE2 PHE 22 1.949 -3.617 4.629
211 HZ PHE 22 HZ PHE 22 4.150 -4.082 5.622
212 H LEU 23 HN LEU 23 2.635 0.672 1.975
213 HA LEU 23 HA LEU 23 4.822 -1.237 1.625
214 1HB LEU 23 HB2 LEU 23 2.423 -0.454 0.004
215 2HB LEU 23 HB1 LEU 23 3.721 -1.342 -0.765
216 HG LEU 23 HG LEU 23 1.615 -2.524 0.344
217 1HD1 LEU 23 HD11 LEU 23 2.910 -4.030 -0.724
218 2HD1 LEU 23 HD12 LEU 23 3.492 -4.391 0.901
219 3HD1 LEU 23 HD13 LEU 23 4.407 -3.303 -0.143
220 1HD2 LEU 23 HD21 LEU 23 3.433 -3.067 2.553
221 2HD2 LEU 23 HD22 LEU 23 1.687 -2.802 2.552
222 3HD2 LEU 23 HD23 LEU 23 2.792 -1.420 2.529
223 H LYS 24 HN LYS 24 3.866 1.819 0.587
224 HA LYS 24 HA LYS 24 5.645 2.195 -1.564
225 1HB LYS 24 HB2 LYS 24 3.513 3.531 -0.237
226 2HB LYS 24 HB1 LYS 24 4.794 4.668 -0.487
227 1HG LYS 24 HG2 LYS 24 4.026 4.900 -2.559
228 2HG LYS 24 HG1 LYS 24 4.572 3.247 -2.853
229 1HD LYS 24 HD2 LYS 24 2.313 2.644 -1.670
230 2HD LYS 24 HD1 LYS 24 1.845 4.252 -2.234
231 1HE LYS 24 HE2 LYS 24 1.250 3.135 -4.104
232 2HE LYS 24 HE1 LYS 24 2.967 3.266 -4.480
233 1HZ LYS 24 HZ1 LYS 24 3.268 1.077 -4.214
234 2HZ LYS 24 HZ2 LYS 24 1.592 0.963 -4.410
235 3HZ LYS 24 HZ3 LYS 24 2.262 0.982 -2.858
236 H THR 25 HN THR 25 5.591 3.160 1.776
237 HA THR 25 HA THR 25 8.045 4.564 1.727
238 HB THR 25 HB THR 25 6.486 5.175 3.412
239 HG1 THR 25 HG1 THR 25 7.678 4.741 5.334
240 1HG2 THR 25 HG21 THR 25 6.556 2.535 4.768
241 2HG2 THR 25 HG22 THR 25 5.459 2.770 3.404
242 3HG2 THR 25 HG23 THR 25 5.336 3.808 4.829
243 H ARG 26 HN ARG 26 7.038 1.329 2.839
244 HA ARG 26 HA ARG 26 9.512 0.475 3.834
245 1HB ARG 26 HB2 ARG 26 7.217 -0.946 2.521
246 2HB ARG 26 HB1 ARG 26 8.616 -1.829 3.124
247 1HG ARG 26 HG2 ARG 26 6.543 -0.314 4.662
248 2HG ARG 26 HG1 ARG 26 7.068 -1.978 4.853
249 1HD ARG 26 HD2 ARG 26 9.286 -1.092 5.605
250 2HD ARG 26 HD1 ARG 26 8.572 0.520 5.582
251 HE ARG 26 HE ARG 26 7.214 -1.493 7.185
252 1HH1 ARG 26 1HH1 ARG 26 9.418 1.217 7.113
253 2HH1 ARG 26 2HH1 ARG 26 9.228 1.571 8.796
254 1HH2 ARG 26 1HH2 ARG 26 6.967 -1.024 9.396
255 2HH2 ARG 26 2HH2 ARG 26 7.840 0.300 10.092
256 H VAL 27 HN VAL 27 8.175 0.511 0.625
257 HA VAL 27 HA VAL 27 10.335 -0.825 -0.662
258 HB VAL 27 HB VAL 27 7.818 0.548 -1.395
259 1HG1 VAL 27 HG11 VAL 27 10.109 0.246 -3.285
260 2HG1 VAL 27 HG12 VAL 27 9.146 1.677 -2.919
261 3HG1 VAL 27 HG13 VAL 27 8.434 0.344 -3.828
262 1HG2 VAL 27 HG21 VAL 27 7.323 -1.488 -2.514
263 2HG2 VAL 27 HG22 VAL 27 8.069 -1.914 -0.974
264 3HG2 VAL 27 HG23 VAL 27 9.011 -1.999 -2.464
265 H LEU 28 HN LEU 28 9.654 2.355 0.372
266 HA LEU 28 HA LEU 28 11.316 3.786 -1.415
267 1HB LEU 28 HB2 LEU 28 10.267 5.561 -0.519
268 2HB LEU 28 HB1 LEU 28 9.221 4.398 0.214
269 HG LEU 28 HG LEU 28 10.537 4.477 2.263
270 1HD1 LEU 28 HD11 LEU 28 12.643 5.162 2.152
271 2HD1 LEU 28 HD12 LEU 28 12.014 6.809 2.077
272 3HD1 LEU 28 HD13 LEU 28 12.388 5.937 0.589
273 1HD2 LEU 28 HD21 LEU 28 8.771 6.381 1.304
274 2HD2 LEU 28 HD22 LEU 28 10.086 7.321 2.009
275 3HD2 LEU 28 HD23 LEU 28 9.234 6.124 2.985
276 H LYS 29 HN LYS 29 11.333 2.801 1.903
277 HA LYS 29 HA LYS 29 13.988 3.591 2.447
278 1HB LYS 29 HB2 LYS 29 13.737 2.508 4.573
279 2HB LYS 29 HB1 LYS 29 12.224 3.322 4.201
280 1HG LYS 29 HG2 LYS 29 11.322 1.143 3.413
281 2HG LYS 29 HG1 LYS 29 12.803 0.377 3.989
282 1HD LYS 29 HD2 LYS 29 11.405 2.125 5.915
283 2HD LYS 29 HD1 LYS 29 10.574 0.632 5.481
284 1HE LYS 29 HE2 LYS 29 13.403 0.223 6.011
285 2HE LYS 29 HE1 LYS 29 12.549 0.911 7.391
286 1HZ LYS 29 HZ1 LYS 29 11.360 -1.372 5.981
287 2HZ LYS 29 HZ2 LYS 29 11.228 -0.926 7.607
288 3HZ LYS 29 HZ3 LYS 29 12.647 -1.651 7.044
289 H ARG 30 HN ARG 30 12.530 0.994 0.880
290 HA ARG 30 HA ARG 30 14.723 -0.837 1.185
291 1HB ARG 30 HB2 ARG 30 13.339 -2.350 0.183
292 2HB ARG 30 HB1 ARG 30 12.106 -1.211 0.610
293 1HG ARG 30 HG2 ARG 30 11.593 -0.892 -1.514
294 2HG ARG 30 HG1 ARG 30 13.251 -0.547 -1.937
295 1HD ARG 30 HD2 ARG 30 13.710 -2.937 -2.118
296 2HD ARG 30 HD1 ARG 30 12.045 -3.289 -1.664
297 HE ARG 30 HE ARG 30 12.651 -1.732 -4.085
298 1HH1 ARG 30 1HH1 ARG 30 11.194 -4.526 -2.566
299 2HH1 ARG 30 2HH1 ARG 30 10.341 -5.004 -3.993
300 1HH2 ARG 30 1HH2 ARG 30 11.528 -2.368 -5.953
301 2HH2 ARG 30 2HH2 ARG 30 10.530 -3.783 -5.913
302 H TRP 31 HN TRP 31 13.414 1.538 -0.903
303 HA TRP 31 HA TRP 31 15.028 1.277 -3.158
304 1HB TRP 31 HB2 TRP 31 12.851 2.765 -2.243
305 2HB TRP 31 HB1 TRP 31 14.062 3.911 -2.661
306 HD1 TRP 31 HD1 TRP 31 11.766 1.494 -4.103
307 HE1 TRP 31 HE1 TRP 31 11.902 1.602 -6.664
308 HE3 TRP 31 HE3 TRP 31 15.702 4.322 -4.300
309 HZ2 TRP 31 HZ2 TRP 31 13.611 2.843 -8.557
310 HZ3 TRP 31 HZ3 TRP 31 16.678 5.032 -6.510
311 HH2 TRP 31 HH2 TRP 31 15.631 4.284 -8.609
312 H ARG 32 HN ARG 32 15.042 3.201 -0.171
313 HA ARG 32 HA ARG 32 17.320 4.768 -0.593
314 1HB ARG 32 HB2 ARG 32 16.111 3.473 1.820
315 2HB ARG 32 HB1 ARG 32 17.301 4.778 1.906
316 1HG ARG 32 HG2 ARG 32 14.683 5.084 0.465
317 2HG ARG 32 HG1 ARG 32 14.853 5.401 2.171
318 1HD ARG 32 HD2 ARG 32 16.868 6.855 1.361
319 2HD ARG 32 HD1 ARG 32 15.997 6.795 -0.171
320 HE ARG 32 HE ARG 32 14.518 8.306 0.681
321 1HH1 ARG 32 1HH1 ARG 32 16.126 6.734 3.348
322 2HH1 ARG 32 2HH1 ARG 32 15.372 7.726 4.551
323 1HH2 ARG 32 1HH2 ARG 32 13.524 9.610 2.259
324 2HH2 ARG 32 2HH2 ARG 32 13.894 9.359 3.932
325 H LEU 33 HN LEU 33 16.750 1.700 0.896
326 HA LEU 33 HA LEU 33 19.287 0.906 1.663
327 1HB LEU 33 HB2 LEU 33 16.603 -0.229 1.123
328 2HB LEU 33 HB1 LEU 33 17.895 -1.320 1.414
329 HG LEU 33 HG LEU 33 16.267 -0.143 3.251
330 1HD1 LEU 33 HD11 LEU 33 17.992 -1.036 4.930
331 2HD1 LEU 33 HD12 LEU 33 18.892 -1.563 3.507
332 3HD1 LEU 33 HD13 LEU 33 17.268 -2.183 3.803
333 1HD2 LEU 33 HD21 LEU 33 18.958 1.092 3.647
334 2HD2 LEU 33 HD22 LEU 33 17.453 1.434 4.504
335 3HD2 LEU 33 HD23 LEU 33 17.641 1.919 2.815
336 H PHE 34 HN PHE 34 17.327 0.419 -1.096
337 HA PHE 34 HA PHE 34 19.079 -1.382 -2.451
338 1HB PHE 34 HB2 PHE 34 16.490 -0.198 -2.884
339 2HB PHE 34 HB1 PHE 34 17.393 -0.413 -4.356
340 HD1 PHE 34 HD1 PHE 34 16.243 -2.206 -5.327
341 HD2 PHE 34 HD2 PHE 34 17.603 -2.345 -1.326
342 HE1 PHE 34 HE1 PHE 34 15.745 -4.598 -5.262
343 HE2 PHE 34 HE2 PHE 34 17.118 -4.743 -1.230
344 HZ PHE 34 HZ PHE 34 16.174 -5.900 -3.204
345 H SER 35 HN SER 35 18.714 1.880 -2.012
346 HA SER 35 HA SER 35 20.365 2.584 -4.371
347 1HB SER 35 HB2 SER 35 18.338 4.022 -3.080
348 2HB SER 35 HB1 SER 35 19.830 4.845 -2.635
349 HG SER 35 HG SER 35 19.368 5.739 -4.530
350 H LYS 36 HN LYS 36 20.554 2.336 -0.893
351 HA LYS 36 HA LYS 36 23.133 3.632 -0.784
352 1HB LYS 36 HB2 LYS 36 22.918 3.597 1.486
353 2HB LYS 36 HB1 LYS 36 21.229 3.450 1.038
354 1HG LYS 36 HG2 LYS 36 21.246 1.100 1.467
355 2HG LYS 36 HG1 LYS 36 22.995 1.107 1.707
356 1HD LYS 36 HD2 LYS 36 21.712 1.042 3.827
357 2HD LYS 36 HD1 LYS 36 22.767 2.449 3.693
358 1HE LYS 36 HE2 LYS 36 20.026 2.815 2.682
359 2HE LYS 36 HE1 LYS 36 20.163 2.559 4.422
360 1HZ LYS 36 HZ1 LYS 36 21.303 4.735 2.785
361 2HZ LYS 36 HZ2 LYS 36 21.954 4.359 4.300
362 3HZ LYS 36 HZ3 LYS 36 20.338 4.845 4.171
363 H HIS 37 HN HIS 37 21.935 0.474 -1.218
364 HA HIS 37 HA HIS 37 24.305 -0.920 -0.427
365 1HB HIS 37 HB2 HIS 37 21.638 -1.593 -1.313
366 2HB HIS 37 HB1 HIS 37 22.834 -2.564 -2.148
367 HD1 HIS 37 HD1 HIS 37 23.356 -4.670 -0.970
368 HD2 HIS 37 HD2 HIS 37 22.224 -1.665 1.667
369 HE1 HIS 37 HE1 HIS 37 23.381 -5.732 1.310
370 HE2 HIS 37 HE2 HIS 37 22.604 -3.920 2.878
371 H GLU 38 HN GLU 38 22.807 -0.160 -3.559
372 HA GLU 38 HA GLU 38 25.234 -0.979 -4.937
373 1HB GLU 38 HB2 GLU 38 22.405 -0.537 -5.680
374 2HB GLU 38 HB1 GLU 38 23.592 -0.137 -6.911
375 1HG GLU 38 HG2 GLU 38 24.512 -2.392 -6.766
376 2HG GLU 38 HG1 GLU 38 23.329 -2.791 -5.520
Start of MODEL 11
1 1H VAL 1 HT1 VAL 1 -27.749 1.665 2.234
2 2H VAL 1 HT2 VAL 1 -27.116 2.739 1.055
3 3H VAL 1 HT3 VAL 1 -26.310 2.538 2.558
4 HA VAL 1 HA VAL 1 -26.586 0.614 0.358
5 HB VAL 1 HB VAL 1 -24.022 1.336 1.703
6 1HG1 VAL 1 HG11 VAL 1 -23.544 -0.239 0.150
7 2HG1 VAL 1 HG12 VAL 1 -23.477 1.169 -0.911
8 3HG1 VAL 1 HG13 VAL 1 -24.932 0.173 -0.857
9 1HG2 VAL 1 HG21 VAL 1 -25.064 3.506 1.244
10 2HG2 VAL 1 HG22 VAL 1 -25.308 3.032 -0.436
11 3HG2 VAL 1 HG23 VAL 1 -23.674 3.222 0.198
12 H MET 2 HN MET 2 -25.226 -1.380 0.803
13 HA MET 2 HA MET 2 -26.225 -2.681 3.080
14 1HB MET 2 HB2 MET 2 -24.540 -3.328 0.760
15 2HB MET 2 HB1 MET 2 -24.255 -4.302 2.181
16 1HG MET 2 HG2 MET 2 -26.530 -5.027 2.233
17 2HG MET 2 HG1 MET 2 -26.957 -3.886 0.958
18 1HE MET 2 HE1 MET 2 -26.422 -7.336 1.796
19 2HE MET 2 HE2 MET 2 -26.441 -8.084 0.199
20 3HE MET 2 HE3 MET 2 -27.762 -7.025 0.695
21 HA PRO 3 HA PRO 3 -23.335 -0.954 6.089
22 1HB PRO 3 HB2 PRO 3 -23.848 -3.188 7.770
23 2HB PRO 3 HB1 PRO 3 -24.525 -1.572 7.893
24 1HG PRO 3 HG2 PRO 3 -25.670 -4.011 6.679
25 2HG PRO 3 HG1 PRO 3 -26.498 -2.638 7.437
26 1HD PRO 3 HD2 PRO 3 -26.520 -2.979 4.792
27 2HD PRO 3 HD1 PRO 3 -26.392 -1.353 5.501
28 H LYS 4 HN LYS 4 -23.348 -4.190 4.912
29 HA LYS 4 HA LYS 4 -20.668 -4.727 5.930
30 1HB LYS 4 HB2 LYS 4 -22.788 -6.390 4.614
31 2HB LYS 4 HB1 LYS 4 -21.133 -6.974 4.714
32 1HG LYS 4 HG2 LYS 4 -21.377 -7.564 6.839
33 2HG LYS 4 HG1 LYS 4 -22.056 -5.993 7.269
34 1HD LYS 4 HD2 LYS 4 -24.183 -6.955 6.046
35 2HD LYS 4 HD1 LYS 4 -23.434 -8.503 6.445
36 1HE LYS 4 HE2 LYS 4 -24.746 -8.141 8.301
37 2HE LYS 4 HE1 LYS 4 -23.208 -7.457 8.824
38 1HZ LYS 4 HZ1 LYS 4 -25.649 -6.037 7.954
39 2HZ LYS 4 HZ2 LYS 4 -24.141 -5.270 7.956
40 3HZ LYS 4 HZ3 LYS 4 -24.787 -5.867 9.400
41 H GLN 5 HN GLN 5 -22.224 -3.774 3.014
42 HA GLN 5 HA GLN 5 -20.022 -4.597 1.346
43 1HB GLN 5 HB2 GLN 5 -21.593 -4.569 -0.238
44 2HB GLN 5 HB1 GLN 5 -22.725 -4.030 0.975
45 1HG GLN 5 HG2 GLN 5 -22.849 -2.597 -0.968
46 2HG GLN 5 HG1 GLN 5 -22.266 -1.728 0.402
47 1HE2 GLN 5 HE21 GLN 5 -20.967 -3.498 -2.306
48 2HE2 GLN 5 HE22 GLN 5 -19.703 -2.385 -2.575
49 H ILE 6 HN ILE 6 -21.089 -1.719 2.914
50 HA ILE 6 HA ILE 6 -19.183 -0.115 1.471
51 HB ILE 6 HB ILE 6 -19.890 1.627 3.220
52 1HG1 ILE 6 HG12 ILE 6 -22.130 1.384 4.085
53 2HG1 ILE 6 HG11 ILE 6 -22.264 -0.216 3.413
54 1HG2 ILE 6 HG21 ILE 6 -20.352 1.618 0.822
55 2HG2 ILE 6 HG22 ILE 6 -21.661 2.337 1.767
56 3HG2 ILE 6 HG23 ILE 6 -21.822 0.694 1.137
57 1HD1 ILE 6 HD11 ILE 6 -21.649 0.191 5.934
58 2HD1 ILE 6 HD12 ILE 6 -20.022 0.354 5.266
59 3HD1 ILE 6 HD13 ILE 6 -20.933 -1.129 5.016
60 H VAL 7 HN VAL 7 -19.481 -1.876 4.416
61 HA VAL 7 HA VAL 7 -17.276 -0.672 5.786
62 HB VAL 7 HB VAL 7 -19.373 -1.953 6.741
63 1HG1 VAL 7 HG11 VAL 7 -17.409 -4.226 6.509
64 2HG1 VAL 7 HG12 VAL 7 -18.861 -4.059 5.524
65 3HG1 VAL 7 HG13 VAL 7 -18.999 -4.264 7.269
66 1HG2 VAL 7 HG21 VAL 7 -18.292 -2.092 8.764
67 2HG2 VAL 7 HG22 VAL 7 -17.336 -0.915 7.865
68 3HG2 VAL 7 HG23 VAL 7 -16.766 -2.575 8.027
69 H TYR 8 HN TYR 8 -18.019 -3.458 3.853
70 HA TYR 8 HA TYR 8 -15.593 -4.893 4.004
71 1HB TYR 8 HB2 TYR 8 -18.001 -4.895 2.365
72 2HB TYR 8 HB1 TYR 8 -16.558 -5.213 1.410
73 HD1 TYR 8 HD1 TYR 8 -14.859 -6.618 3.247
74 HD2 TYR 8 HD2 TYR 8 -19.040 -6.964 2.675
75 HE1 TYR 8 HE1 TYR 8 -14.775 -8.801 4.132
76 HE2 TYR 8 HE2 TYR 8 -18.976 -9.206 3.553
77 HH TYR 8 HH TYR 8 -16.082 -10.935 4.022
78 H TRP 9 HN TRP 9 -16.912 -2.425 1.862
79 HA TRP 9 HA TRP 9 -14.686 -2.109 0.145
80 1HB TRP 9 HB2 TRP 9 -17.196 -0.737 0.778
81 2HB TRP 9 HB1 TRP 9 -15.892 0.380 0.370
82 HD1 TRP 9 HD1 TRP 9 -18.377 -1.789 -1.148
83 HE1 TRP 9 HE1 TRP 9 -17.923 -1.891 -3.714
84 HE3 TRP 9 HE3 TRP 9 -13.874 0.250 -1.173
85 HZ2 TRP 9 HZ2 TRP 9 -15.883 -1.179 -5.483
86 HZ3 TRP 9 HZ3 TRP 9 -12.659 0.550 -3.312
87 HH2 TRP 9 HH2 TRP 9 -13.680 -0.173 -5.423
88 H LYS 10 HN LYS 10 -15.971 -0.154 2.651
89 HA LYS 10 HA LYS 10 -13.945 1.645 3.093
90 1HB LYS 10 HB2 LYS 10 -16.035 1.953 4.179
91 2HB LYS 10 HB1 LYS 10 -15.932 0.391 4.971
92 1HG LYS 10 HG2 LYS 10 -13.700 1.716 5.865
93 2HG LYS 10 HG1 LYS 10 -14.939 2.968 5.809
94 1HD LYS 10 HD2 LYS 10 -15.795 0.395 6.949
95 2HD LYS 10 HD1 LYS 10 -14.576 1.261 7.886
96 1HE LYS 10 HE2 LYS 10 -16.272 3.280 7.311
97 2HE LYS 10 HE1 LYS 10 -17.400 1.927 7.366
98 1HZ LYS 10 HZ1 LYS 10 -16.648 3.296 9.512
99 2HZ LYS 10 HZ2 LYS 10 -15.482 2.071 9.542
100 3HZ LYS 10 HZ3 LYS 10 -17.126 1.674 9.572
101 H GLN 11 HN GLN 11 -14.334 -1.530 4.661
102 HA GLN 11 HA GLN 11 -11.873 -1.223 6.103
103 1HB GLN 11 HB2 GLN 11 -12.304 -3.363 7.005
104 2HB GLN 11 HB1 GLN 11 -13.880 -2.617 6.832
105 1HG GLN 11 HG2 GLN 11 -14.296 -3.880 4.816
106 2HG GLN 11 HG1 GLN 11 -12.676 -4.546 4.869
107 1HE2 GLN 11 HE21 GLN 11 -13.438 -4.527 8.041
108 2HE2 GLN 11 HE22 GLN 11 -14.196 -6.070 8.172
109 H TRP 12 HN TRP 12 -12.336 -1.582 2.992
110 HA TRP 12 HA TRP 12 -10.004 -3.341 2.549
111 1HB TRP 12 HB2 TRP 12 -12.246 -3.895 1.487
112 2HB TRP 12 HB1 TRP 12 -12.055 -2.498 0.503
113 HD1 TRP 12 HD1 TRP 12 -11.125 -6.012 0.705
114 HE1 TRP 12 HE1 TRP 12 -9.470 -6.573 -1.163
115 HE3 TRP 12 HE3 TRP 12 -10.198 -1.378 -0.733
116 HZ2 TRP 12 HZ2 TRP 12 -7.958 -5.153 -3.084
117 HZ3 TRP 12 HZ3 TRP 12 -8.634 -0.934 -2.628
118 HH2 TRP 12 HH2 TRP 12 -7.523 -2.837 -3.787
119 H LEU 13 HN LEU 13 -11.406 -0.170 1.764
120 HA LEU 13 HA LEU 13 -8.865 0.493 0.465
121 1HB LEU 13 HB2 LEU 13 -10.847 1.042 -0.827
122 2HB LEU 13 HB1 LEU 13 -11.521 1.945 0.515
123 HG LEU 13 HG LEU 13 -8.896 2.933 -0.289
124 1HD1 LEU 13 HD11 LEU 13 -10.237 2.057 -2.437
125 2HD1 LEU 13 HD12 LEU 13 -9.215 3.494 -2.452
126 3HD1 LEU 13 HD13 LEU 13 -10.962 3.656 -2.269
127 1HD2 LEU 13 HD21 LEU 13 -10.771 4.934 -0.587
128 2HD2 LEU 13 HD22 LEU 13 -9.846 4.582 0.872
129 3HD2 LEU 13 HD23 LEU 13 -11.463 3.907 0.668
130 H SER 14 HN SER 14 -10.322 0.689 3.474
131 HA SER 14 HA SER 14 -9.096 3.220 4.167
132 1HB SER 14 HB2 SER 14 -11.278 1.881 5.206
133 2HB SER 14 HB1 SER 14 -10.028 1.548 6.392
134 HG SER 14 HG SER 14 -10.541 4.159 5.439
135 H LEU 15 HN LEU 15 -8.721 -0.201 4.867
136 HA LEU 15 HA LEU 15 -6.313 0.229 6.349
137 1HB LEU 15 HB2 LEU 15 -7.575 -2.338 5.399
138 2HB LEU 15 HB1 LEU 15 -6.334 -2.163 6.625
139 HG LEU 15 HG LEU 15 -8.217 -2.441 7.922
140 1HD1 LEU 15 HD11 LEU 15 -8.827 -0.295 8.873
141 2HD1 LEU 15 HD12 LEU 15 -8.206 0.534 7.443
142 3HD1 LEU 15 HD13 LEU 15 -7.097 -0.317 8.522
143 1HD2 LEU 15 HD21 LEU 15 -10.164 -0.705 6.874
144 2HD2 LEU 15 HD22 LEU 15 -10.167 -2.471 6.885
145 3HD2 LEU 15 HD23 LEU 15 -9.463 -1.595 5.514
146 H ARG 16 HN ARG 16 -7.121 -1.646 3.460
147 HA ARG 16 HA ARG 16 -4.562 -2.234 2.675
148 1HB ARG 16 HB2 ARG 16 -7.105 -1.859 1.225
149 2HB ARG 16 HB1 ARG 16 -5.642 -2.030 0.277
150 1HG ARG 16 HG2 ARG 16 -5.489 -4.214 0.716
151 2HG ARG 16 HG1 ARG 16 -5.852 -3.965 2.427
152 1HD ARG 16 HD2 ARG 16 -8.066 -4.324 2.154
153 2HD ARG 16 HD1 ARG 16 -8.087 -3.613 0.548
154 HE ARG 16 HE ARG 16 -7.473 -5.680 -0.365
155 1HH1 ARG 16 1HH1 ARG 16 -7.709 -5.840 3.119
156 2HH1 ARG 16 2HH1 ARG 16 -7.768 -7.569 3.156
157 1HH2 ARG 16 1HH2 ARG 16 -7.548 -7.953 -0.308
158 2HH2 ARG 16 2HH2 ARG 16 -7.674 -8.767 1.215
159 H ASN 17 HN ASN 17 -6.148 0.769 2.507
160 HA ASN 17 HA ASN 17 -4.620 2.051 0.561
161 1HB ASN 17 HB2 ASN 17 -6.574 2.717 2.552
162 2HB ASN 17 HB1 ASN 17 -5.379 3.950 2.450
163 1HD2 ASN 17 HD21 ASN 17 -7.478 5.011 1.789
164 2HD2 ASN 17 HD22 ASN 17 -7.783 5.063 0.097
165 HA PRO 18 HA PRO 18 -1.854 4.081 3.898
166 1HB PRO 18 HB2 PRO 18 -2.115 2.997 6.436
167 2HB PRO 18 HB1 PRO 18 -2.733 4.566 5.913
168 1HG PRO 18 HG2 PRO 18 -4.121 1.940 6.046
169 2HG PRO 18 HG1 PRO 18 -4.723 3.551 6.476
170 1HD PRO 18 HD2 PRO 18 -5.432 2.449 4.183
171 2HD PRO 18 HD1 PRO 18 -5.003 4.166 4.244
172 H ILE 19 HN ILE 19 -2.812 0.809 3.945
173 HA ILE 19 HA ILE 19 -0.323 -0.240 4.918
174 HB ILE 19 HB ILE 19 -2.558 -1.618 3.444
175 1HG1 ILE 19 HG12 ILE 19 -1.822 -1.350 6.351
176 2HG1 ILE 19 HG11 ILE 19 -3.297 -0.821 5.575
177 1HG2 ILE 19 HG21 ILE 19 -0.972 -3.405 5.012
178 2HG2 ILE 19 HG22 ILE 19 0.068 -2.549 3.878
179 3HG2 ILE 19 HG23 ILE 19 -1.321 -3.457 3.285
180 1HD1 ILE 19 HD11 ILE 19 -2.650 -3.371 6.744
181 2HD1 ILE 19 HD12 ILE 19 -3.214 -3.545 5.081
182 3HD1 ILE 19 HD13 ILE 19 -4.215 -2.710 6.270
183 H LEU 20 HN LEU 20 -1.581 0.536 1.801
184 HA LEU 20 HA LEU 20 0.433 -0.793 0.272
185 1HB LEU 20 HB2 LEU 20 -1.276 1.578 -0.506
186 2HB LEU 20 HB1 LEU 20 -0.304 0.621 -1.604
187 HG LEU 20 HG LEU 20 -2.971 0.116 -0.524
188 1HD1 LEU 20 HD11 LEU 20 -3.149 -1.191 -2.609
189 2HD1 LEU 20 HD12 LEU 20 -1.443 -0.872 -2.923
190 3HD1 LEU 20 HD13 LEU 20 -2.595 0.462 -2.878
191 1HD2 LEU 20 HD21 LEU 20 -0.993 -2.152 -0.696
192 2HD2 LEU 20 HD22 LEU 20 -2.738 -2.326 -0.506
193 3HD2 LEU 20 HD23 LEU 20 -1.784 -1.561 0.767
194 H VAL 21 HN VAL 21 -0.150 2.413 1.485
195 HA VAL 21 HA VAL 21 2.057 3.796 0.577
196 HB VAL 21 HB VAL 21 0.286 3.838 2.947
197 1HG1 VAL 21 HG11 VAL 21 1.438 5.683 3.921
198 2HG1 VAL 21 HG12 VAL 21 2.599 5.708 2.590
199 3HG1 VAL 21 HG13 VAL 21 2.560 4.336 3.701
200 1HG2 VAL 21 HG21 VAL 21 0.850 5.847 0.774
201 2HG2 VAL 21 HG22 VAL 21 -0.368 6.011 2.044
202 3HG2 VAL 21 HG23 VAL 21 -0.511 4.723 0.841
203 H PHE 22 HN PHE 22 1.423 2.093 3.568
204 HA PHE 22 HA PHE 22 3.868 2.320 4.858
205 1HB PHE 22 HB2 PHE 22 2.333 1.461 6.273
206 2HB PHE 22 HB1 PHE 22 1.423 0.744 4.971
207 HD1 PHE 22 HD1 PHE 22 4.641 0.329 6.660
208 HD2 PHE 22 HD2 PHE 22 1.251 -1.382 4.875
209 HE1 PHE 22 HE1 PHE 22 5.502 -1.892 7.238
210 HE2 PHE 22 HE2 PHE 22 2.053 -3.643 5.449
211 HZ PHE 22 HZ PHE 22 4.202 -3.897 6.614
212 H LEU 23 HN LEU 23 2.752 0.308 2.307
213 HA LEU 23 HA LEU 23 5.041 -1.527 2.315
214 1HB LEU 23 HB2 LEU 23 2.698 -1.084 0.488
215 2HB LEU 23 HB1 LEU 23 4.068 -2.017 -0.074
216 HG LEU 23 HG LEU 23 1.945 -3.121 1.063
217 1HD1 LEU 23 HD11 LEU 23 3.837 -4.809 2.002
218 2HD1 LEU 23 HD12 LEU 23 4.790 -3.840 0.877
219 3HD1 LEU 23 HD13 LEU 23 3.362 -4.704 0.306
220 1HD2 LEU 23 HD21 LEU 23 3.642 -3.233 3.436
221 2HD2 LEU 23 HD22 LEU 23 1.886 -3.114 3.292
222 3HD2 LEU 23 HD23 LEU 23 2.889 -1.665 3.131
223 H LYS 24 HN LYS 24 3.958 1.280 0.768
224 HA LYS 24 HA LYS 24 5.811 1.434 -1.332
225 1HB LYS 24 HB2 LYS 24 3.599 2.868 -0.277
226 2HB LYS 24 HB1 LYS 24 4.863 4.007 -0.609
227 1HG LYS 24 HG2 LYS 24 4.169 3.962 -2.718
228 2HG LYS 24 HG1 LYS 24 4.811 2.319 -2.789
229 1HD LYS 24 HD2 LYS 24 2.500 1.768 -1.633
230 2HD LYS 24 HD1 LYS 24 2.013 3.238 -2.486
231 1HE LYS 24 HE2 LYS 24 2.858 2.266 -4.589
232 2HE LYS 24 HE1 LYS 24 3.266 0.787 -3.720
233 1HZ LYS 24 HZ1 LYS 24 0.541 1.920 -4.050
234 2HZ LYS 24 HZ2 LYS 24 0.915 0.524 -3.171
235 3HZ LYS 24 HZ3 LYS 24 1.157 0.560 -4.845
236 H THR 25 HN THR 25 5.637 2.837 1.845
237 HA THR 25 HA THR 25 8.019 4.325 1.699
238 HB THR 25 HB THR 25 6.444 4.980 3.347
239 HG1 THR 25 HG1 THR 25 8.737 4.832 4.030
240 1HG2 THR 25 HG21 THR 25 5.494 2.553 3.490
241 2HG2 THR 25 HG22 THR 25 5.340 3.667 4.851
242 3HG2 THR 25 HG23 THR 25 6.598 2.431 4.864
243 H ARG 26 HN ARG 26 7.183 1.122 2.997
244 HA ARG 26 HA ARG 26 9.721 0.480 4.032
245 1HB ARG 26 HB2 ARG 26 7.479 -1.162 2.886
246 2HB ARG 26 HB1 ARG 26 8.924 -1.910 3.556
247 1HG ARG 26 HG2 ARG 26 6.784 -0.363 4.961
248 2HG ARG 26 HG1 ARG 26 7.386 -1.978 5.300
249 1HD ARG 26 HD2 ARG 26 8.829 0.624 5.750
250 2HD ARG 26 HD1 ARG 26 8.154 -0.432 6.991
251 HE ARG 26 HE ARG 26 10.130 -1.670 5.285
252 1HH1 ARG 26 1HH1 ARG 26 9.560 0.100 8.241
253 2HH1 ARG 26 2HH1 ARG 26 11.021 -0.444 8.993
254 1HH2 ARG 26 1HH2 ARG 26 12.050 -2.385 6.275
255 2HH2 ARG 26 2HH2 ARG 26 12.434 -1.853 7.879
256 H VAL 27 HN VAL 27 8.297 0.196 0.874
257 HA VAL 27 HA VAL 27 10.516 -1.115 -0.360
258 HB VAL 27 HB VAL 27 7.876 -0.014 -1.120
259 1HG1 VAL 27 HG11 VAL 27 9.074 1.059 -2.796
260 2HG1 VAL 27 HG12 VAL 27 8.415 -0.396 -3.544
261 3HG1 VAL 27 HG13 VAL 27 10.114 -0.335 -3.073
262 1HG2 VAL 27 HG21 VAL 27 7.654 -2.207 -2.214
263 2HG2 VAL 27 HG22 VAL 27 8.097 -2.343 -0.511
264 3HG2 VAL 27 HG23 VAL 27 9.318 -2.581 -1.763
265 H LEU 28 HN LEU 28 9.627 2.095 0.398
266 HA LEU 28 HA LEU 28 11.125 3.452 -1.588
267 1HB LEU 28 HB2 LEU 28 9.952 5.225 -0.851
268 2HB LEU 28 HB1 LEU 28 9.030 4.079 0.051
269 HG LEU 28 HG LEU 28 10.387 4.488 2.019
270 1HD1 LEU 28 HD11 LEU 28 12.085 5.869 0.121
271 2HD1 LEU 28 HD12 LEU 28 12.445 5.287 1.747
272 3HD1 LEU 28 HD13 LEU 28 11.702 6.872 1.521
273 1HD2 LEU 28 HD21 LEU 28 8.445 6.112 0.964
274 2HD2 LEU 28 HD22 LEU 28 9.723 7.253 1.381
275 3HD2 LEU 28 HD23 LEU 28 9.059 6.183 2.615
276 H LYS 29 HN LYS 29 11.294 2.837 1.819
277 HA LYS 29 HA LYS 29 13.896 3.877 2.173
278 1HB LYS 29 HB2 LYS 29 13.771 3.178 4.414
279 2HB LYS 29 HB1 LYS 29 12.117 3.583 3.990
280 1HG LYS 29 HG2 LYS 29 11.787 1.616 5.083
281 2HG LYS 29 HG1 LYS 29 11.975 1.020 3.436
282 1HD LYS 29 HD2 LYS 29 13.473 -0.367 4.407
283 2HD LYS 29 HD1 LYS 29 14.548 1.020 4.227
284 1HE LYS 29 HE2 LYS 29 12.929 0.353 6.683
285 2HE LYS 29 HE1 LYS 29 14.657 0.065 6.483
286 1HZ LYS 29 HZ1 LYS 29 14.893 2.506 6.133
287 2HZ LYS 29 HZ2 LYS 29 14.394 2.072 7.689
288 3HZ LYS 29 HZ3 LYS 29 13.272 2.685 6.583
289 H ARG 30 HN ARG 30 12.610 1.027 0.934
290 HA ARG 30 HA ARG 30 14.946 -0.592 1.355
291 1HB ARG 30 HB2 ARG 30 13.661 -2.296 0.545
292 2HB ARG 30 HB1 ARG 30 12.353 -1.217 0.890
293 1HG ARG 30 HG2 ARG 30 11.771 -1.168 -1.235
294 2HG ARG 30 HG1 ARG 30 13.383 -0.720 -1.738
295 1HD ARG 30 HD2 ARG 30 13.846 -3.281 -1.257
296 2HD ARG 30 HD1 ARG 30 12.115 -3.398 -1.569
297 HE ARG 30 HE ARG 30 13.584 -1.932 -3.568
298 1HH1 ARG 30 1HH1 ARG 30 12.464 -5.078 -2.547
299 2HH1 ARG 30 2HH1 ARG 30 12.528 -5.755 -4.140
300 1HH2 ARG 30 1HH2 ARG 30 13.670 -2.824 -5.662
301 2HH2 ARG 30 2HH2 ARG 30 13.214 -4.477 -5.907
302 H TRP 31 HN TRP 31 13.414 1.456 -0.918
303 HA TRP 31 HA TRP 31 15.012 1.092 -3.172
304 1HB TRP 31 HB2 TRP 31 12.723 2.474 -2.366
305 2HB TRP 31 HB1 TRP 31 13.820 3.668 -2.935
306 HD1 TRP 31 HD1 TRP 31 11.731 0.916 -4.053
307 HE1 TRP 31 HE1 TRP 31 11.819 0.757 -6.615
308 HE3 TRP 31 HE3 TRP 31 15.390 4.044 -4.648
309 HZ2 TRP 31 HZ2 TRP 31 13.380 1.933 -8.670
310 HZ3 TRP 31 HZ3 TRP 31 16.266 4.594 -6.942
311 HH2 TRP 31 HH2 TRP 31 15.260 3.533 -8.923
312 H ARG 32 HN ARG 32 14.906 3.300 -0.393
313 HA ARG 32 HA ARG 32 17.031 5.006 -1.024
314 1HB ARG 32 HB2 ARG 32 15.971 3.872 1.533
315 2HB ARG 32 HB1 ARG 32 17.043 5.276 1.457
316 1HG ARG 32 HG2 ARG 32 14.389 5.203 0.049
317 2HG ARG 32 HG1 ARG 32 14.555 5.716 1.708
318 1HD ARG 32 HD2 ARG 32 16.172 6.855 -0.522
319 2HD ARG 32 HD1 ARG 32 14.586 7.492 -0.102
320 HE ARG 32 HE ARG 32 16.257 7.376 2.185
321 1HH1 ARG 32 1HH1 ARG 32 15.721 9.216 -0.730
322 2HH1 ARG 32 2HH1 ARG 32 16.365 10.682 -0.072
323 1HH2 ARG 32 1HH2 ARG 32 17.104 9.304 3.053
324 2HH2 ARG 32 2HH2 ARG 32 17.150 10.733 2.075
325 H LEU 33 HN LEU 33 16.745 2.069 0.781
326 HA LEU 33 HA LEU 33 19.351 1.572 1.569
327 1HB LEU 33 HB2 LEU 33 16.768 0.168 1.195
328 2HB LEU 33 HB1 LEU 33 18.152 -0.778 1.561
329 HG LEU 33 HG LEU 33 16.456 0.426 3.311
330 1HD1 LEU 33 HD11 LEU 33 18.384 -1.442 3.470
331 2HD1 LEU 33 HD12 LEU 33 17.585 -0.750 4.882
332 3HD1 LEU 33 HD13 LEU 33 19.152 -0.128 4.362
333 1HD2 LEU 33 HD21 LEU 33 17.507 2.216 4.380
334 2HD2 LEU 33 HD22 LEU 33 17.636 2.548 2.649
335 3HD2 LEU 33 HD23 LEU 33 19.028 1.924 3.534
336 H PHE 34 HN PHE 34 17.412 0.653 -1.091
337 HA PHE 34 HA PHE 34 19.301 -1.115 -2.301
338 1HB PHE 34 HB2 PHE 34 16.615 -0.200 -2.795
339 2HB PHE 34 HB1 PHE 34 17.516 -0.489 -4.256
340 HD1 PHE 34 HD1 PHE 34 16.511 -2.460 -5.020
341 HD2 PHE 34 HD2 PHE 34 17.922 -2.079 -1.052
342 HE1 PHE 34 HE1 PHE 34 16.218 -4.866 -4.705
343 HE2 PHE 34 HE2 PHE 34 17.642 -4.486 -0.706
344 HZ PHE 34 HZ PHE 34 16.777 -5.912 -2.535
345 H SER 35 HN SER 35 18.651 2.133 -2.173
346 HA SER 35 HA SER 35 20.216 2.738 -4.616
347 1HB SER 35 HB2 SER 35 18.094 4.127 -3.437
348 2HB SER 35 HB1 SER 35 19.517 5.102 -3.084
349 HG SER 35 HG SER 35 18.198 5.030 -5.319
350 H LYS 36 HN LYS 36 20.460 2.829 -1.137
351 HA LYS 36 HA LYS 36 22.933 4.317 -1.184
352 1HB LYS 36 HB2 LYS 36 22.732 4.483 1.077
353 2HB LYS 36 HB1 LYS 36 21.060 4.129 0.685
354 1HG LYS 36 HG2 LYS 36 21.305 1.853 1.343
355 2HG LYS 36 HG1 LYS 36 23.053 2.030 1.507
356 1HD LYS 36 HD2 LYS 36 21.864 2.057 3.679
357 2HD LYS 36 HD1 LYS 36 22.777 3.535 3.367
358 1HE LYS 36 HE2 LYS 36 19.911 3.426 2.565
359 2HE LYS 36 HE1 LYS 36 20.303 3.615 4.273
360 1HZ LYS 36 HZ1 LYS 36 21.910 5.437 3.175
361 2HZ LYS 36 HZ2 LYS 36 20.349 5.780 3.728
362 3HZ LYS 36 HZ3 LYS 36 20.618 5.488 2.084
363 H HIS 37 HN HIS 37 21.965 1.054 -1.315
364 HA HIS 37 HA HIS 37 24.393 -0.134 -0.426
365 1HB HIS 37 HB2 HIS 37 21.814 -1.023 -1.362
366 2HB HIS 37 HB1 HIS 37 23.087 -1.922 -2.162
367 HD1 HIS 37 HD1 HIS 37 23.570 -4.019 -0.956
368 HD2 HIS 37 HD2 HIS 37 22.522 -0.949 1.640
369 HE1 HIS 37 HE1 HIS 37 23.673 -5.024 1.347
370 HE2 HIS 37 HE2 HIS 37 23.126 -3.123 2.909
371 H GLU 38 HN GLU 38 22.987 0.460 -3.624
372 HA GLU 38 HA GLU 38 25.507 -0.278 -4.890
373 1HB GLU 38 HB2 GLU 38 24.307 -0.183 -6.987
374 2HB GLU 38 HB1 GLU 38 23.368 -1.115 -5.828
375 1HG GLU 38 HG2 GLU 38 21.643 0.282 -5.948
376 2HG GLU 38 HG1 GLU 38 22.676 1.703 -5.797
Start of MODEL 12
1 1H VAL 1 HT1 VAL 1 -26.184 -7.185 4.055
2 2H VAL 1 HT2 VAL 1 -24.963 -6.732 5.173
3 3H VAL 1 HT3 VAL 1 -24.831 -6.277 3.524
4 HA VAL 1 HA VAL 1 -27.048 -5.128 3.917
5 HB VAL 1 HB VAL 1 -26.008 -4.777 6.694
6 1HG1 VAL 1 HG11 VAL 1 -28.806 -4.827 6.601
7 2HG1 VAL 1 HG12 VAL 1 -28.294 -3.979 5.142
8 3HG1 VAL 1 HG13 VAL 1 -27.761 -3.413 6.725
9 1HG2 VAL 1 HG21 VAL 1 -27.485 -7.169 5.688
10 2HG2 VAL 1 HG22 VAL 1 -27.839 -6.547 7.300
11 3HG2 VAL 1 HG23 VAL 1 -26.202 -7.063 6.894
12 H MET 2 HN MET 2 -26.873 -2.750 4.531
13 HA MET 2 HA MET 2 -24.752 -1.571 3.238
14 1HB MET 2 HB2 MET 2 -27.029 -0.721 4.855
15 2HB MET 2 HB1 MET 2 -25.667 0.366 4.959
16 1HG MET 2 HG2 MET 2 -26.741 -0.576 2.336
17 2HG MET 2 HG1 MET 2 -27.407 0.825 3.171
18 1HE MET 2 HE1 MET 2 -25.588 2.846 4.061
19 2HE MET 2 HE2 MET 2 -26.696 3.088 2.711
20 3HE MET 2 HE3 MET 2 -25.019 3.615 2.581
21 HA PRO 3 HA PRO 3 -23.008 -0.275 7.724
22 1HB PRO 3 HB2 PRO 3 -23.589 -2.552 9.332
23 2HB PRO 3 HB1 PRO 3 -24.154 -0.904 9.559
24 1HG PRO 3 HG2 PRO 3 -25.516 -3.206 8.304
25 2HG PRO 3 HG1 PRO 3 -26.213 -1.806 9.139
26 1HD PRO 3 HD2 PRO 3 -26.355 -2.058 6.479
27 2HD PRO 3 HD1 PRO 3 -26.110 -0.471 7.240
28 H LYS 4 HN LYS 4 -23.300 -3.456 6.431
29 HA LYS 4 HA LYS 4 -20.563 -4.153 7.182
30 1HB LYS 4 HB2 LYS 4 -22.536 -5.753 7.427
31 2HB LYS 4 HB1 LYS 4 -22.522 -5.873 5.673
32 1HG LYS 4 HG2 LYS 4 -21.197 -7.641 6.101
33 2HG LYS 4 HG1 LYS 4 -19.943 -6.400 6.170
34 1HD LYS 4 HD2 LYS 4 -20.627 -6.263 8.688
35 2HD LYS 4 HD1 LYS 4 -21.281 -7.876 8.396
36 1HE LYS 4 HE2 LYS 4 -19.236 -8.813 8.208
37 2HE LYS 4 HE1 LYS 4 -18.557 -7.410 7.382
38 1HZ LYS 4 HZ1 LYS 4 -18.898 -6.396 9.799
39 2HZ LYS 4 HZ2 LYS 4 -17.482 -7.199 9.340
40 3HZ LYS 4 HZ3 LYS 4 -18.667 -8.016 10.227
41 H GLN 5 HN GLN 5 -22.387 -3.049 4.492
42 HA GLN 5 HA GLN 5 -20.481 -3.937 2.533
43 1HB GLN 5 HB2 GLN 5 -22.255 -3.746 1.185
44 2HB GLN 5 HB1 GLN 5 -23.171 -3.153 2.548
45 1HG GLN 5 HG2 GLN 5 -23.413 -1.667 0.649
46 2HG GLN 5 HG1 GLN 5 -22.620 -0.886 1.966
47 1HE2 GLN 5 HE21 GLN 5 -21.750 -2.660 -0.907
48 2HE2 GLN 5 HE22 GLN 5 -20.454 -1.623 -1.296
49 H ILE 6 HN ILE 6 -21.143 -1.047 4.308
50 HA ILE 6 HA ILE 6 -19.308 0.474 2.698
51 HB ILE 6 HB ILE 6 -19.676 2.191 4.575
52 1HG1 ILE 6 HG12 ILE 6 -21.818 2.073 5.686
53 2HG1 ILE 6 HG11 ILE 6 -22.146 0.515 4.982
54 1HG2 ILE 6 HG21 ILE 6 -20.407 2.327 2.255
55 2HG2 ILE 6 HG22 ILE 6 -21.560 3.072 3.369
56 3HG2 ILE 6 HG23 ILE 6 -21.888 1.474 2.693
57 1HD1 ILE 6 HD11 ILE 6 -21.225 0.779 7.430
58 2HD1 ILE 6 HD12 ILE 6 -19.675 0.844 6.585
59 3HD1 ILE 6 HD13 ILE 6 -20.723 -0.556 6.399
60 H VAL 7 HN VAL 7 -19.398 -1.368 5.612
61 HA VAL 7 HA VAL 7 -16.969 -0.377 6.752
62 HB VAL 7 HB VAL 7 -19.031 -1.592 7.878
63 1HG1 VAL 7 HG11 VAL 7 -18.759 -3.674 6.570
64 2HG1 VAL 7 HG12 VAL 7 -18.676 -3.936 8.310
65 3HG1 VAL 7 HG13 VAL 7 -17.198 -3.925 7.348
66 1HG2 VAL 7 HG21 VAL 7 -17.739 -1.877 9.772
67 2HG2 VAL 7 HG22 VAL 7 -16.880 -0.660 8.832
68 3HG2 VAL 7 HG23 VAL 7 -16.312 -2.328 8.840
69 H TYR 8 HN TYR 8 -18.103 -3.025 4.817
70 HA TYR 8 HA TYR 8 -15.775 -4.609 4.632
71 1HB TYR 8 HB2 TYR 8 -18.348 -4.382 3.273
72 2HB TYR 8 HB1 TYR 8 -17.041 -4.773 2.162
73 HD1 TYR 8 HD1 TYR 8 -15.271 -6.361 3.760
74 HD2 TYR 8 HD2 TYR 8 -19.502 -6.376 3.653
75 HE1 TYR 8 HE1 TYR 8 -15.258 -8.570 4.577
76 HE2 TYR 8 HE2 TYR 8 -19.517 -8.644 4.464
77 HH TYR 8 HH TYR 8 -16.834 -10.629 4.480
78 H TRP 9 HN TRP 9 -17.159 -1.961 2.771
79 HA TRP 9 HA TRP 9 -15.129 -1.714 0.807
80 1HB TRP 9 HB2 TRP 9 -17.458 -0.220 1.780
81 2HB TRP 9 HB1 TRP 9 -16.140 0.831 1.257
82 HD1 TRP 9 HD1 TRP 9 -18.928 -1.109 -0.027
83 HE1 TRP 9 HE1 TRP 9 -18.781 -1.132 -2.631
84 HE3 TRP 9 HE3 TRP 9 -14.328 0.632 -0.514
85 HZ2 TRP 9 HZ2 TRP 9 -16.915 -0.480 -4.604
86 HZ3 TRP 9 HZ3 TRP 9 -13.350 0.944 -2.770
87 HH2 TRP 9 HH2 TRP 9 -14.657 0.378 -4.770
88 H LYS 10 HN LYS 10 -15.996 0.196 3.519
89 HA LYS 10 HA LYS 10 -13.828 1.857 3.790
90 1HB LYS 10 HB2 LYS 10 -15.757 2.237 5.119
91 2HB LYS 10 HB1 LYS 10 -15.666 0.635 5.833
92 1HG LYS 10 HG2 LYS 10 -13.274 1.765 6.534
93 2HG LYS 10 HG1 LYS 10 -14.406 3.110 6.640
94 1HD LYS 10 HD2 LYS 10 -15.881 1.690 8.040
95 2HD LYS 10 HD1 LYS 10 -14.647 0.430 8.002
96 1HE LYS 10 HE2 LYS 10 -13.166 2.530 8.820
97 2HE LYS 10 HE1 LYS 10 -14.731 2.966 9.507
98 1HZ LYS 10 HZ1 LYS 10 -14.050 1.659 11.181
99 2HZ LYS 10 HZ2 LYS 10 -12.924 0.823 10.235
100 3HZ LYS 10 HZ3 LYS 10 -14.557 0.388 10.187
101 H GLN 11 HN GLN 11 -14.233 -1.363 5.267
102 HA GLN 11 HA GLN 11 -11.616 -1.275 6.434
103 1HB GLN 11 HB2 GLN 11 -12.069 -3.458 7.237
104 2HB GLN 11 HB1 GLN 11 -13.603 -2.611 7.303
105 1HG GLN 11 HG2 GLN 11 -14.307 -3.683 5.244
106 2HG GLN 11 HG1 GLN 11 -12.751 -4.476 5.109
107 1HE2 GLN 11 HE21 GLN 11 -13.231 -4.593 8.335
108 2HE2 GLN 11 HE22 GLN 11 -14.099 -6.079 8.451
109 H TRP 12 HN TRP 12 -12.440 -1.442 3.365
110 HA TRP 12 HA TRP 12 -10.238 -3.254 2.611
111 1HB TRP 12 HB2 TRP 12 -12.607 -3.661 1.743
112 2HB TRP 12 HB1 TRP 12 -12.410 -2.248 0.779
113 HD1 TRP 12 HD1 TRP 12 -11.652 -5.812 0.818
114 HE1 TRP 12 HE1 TRP 12 -10.148 -6.394 -1.171
115 HE3 TRP 12 HE3 TRP 12 -10.586 -1.183 -0.539
116 HZ2 TRP 12 HZ2 TRP 12 -8.686 -4.986 -3.137
117 HZ3 TRP 12 HZ3 TRP 12 -9.118 -0.755 -2.514
118 HH2 TRP 12 HH2 TRP 12 -8.178 -2.672 -3.796
119 H LEU 13 HN LEU 13 -11.585 0.005 2.132
120 HA LEU 13 HA LEU 13 -9.203 0.682 0.577
121 1HB LEU 13 HB2 LEU 13 -11.306 1.382 -0.404
122 2HB LEU 13 HB1 LEU 13 -11.775 2.192 1.079
123 HG LEU 13 HG LEU 13 -9.242 3.171 -0.005
124 1HD1 LEU 13 HD11 LEU 13 -9.919 3.069 -2.162
125 2HD1 LEU 13 HD12 LEU 13 -10.779 4.540 -1.707
126 3HD1 LEU 13 HD13 LEU 13 -11.629 2.994 -1.740
127 1HD2 LEU 13 HD21 LEU 13 -10.374 4.299 1.793
128 2HD2 LEU 13 HD22 LEU 13 -11.839 4.458 0.822
129 3HD2 LEU 13 HD23 LEU 13 -10.380 5.339 0.368
130 H SER 14 HN SER 14 -10.266 0.715 3.755
131 HA SER 14 HA SER 14 -8.860 3.147 4.449
132 1HB SER 14 HB2 SER 14 -10.953 1.839 5.668
133 2HB SER 14 HB1 SER 14 -9.588 1.342 6.655
134 HG SER 14 HG SER 14 -9.084 3.576 6.905
135 H LEU 15 HN LEU 15 -8.558 -0.320 4.897
136 HA LEU 15 HA LEU 15 -5.964 -0.079 6.073
137 1HB LEU 15 HB2 LEU 15 -7.438 -2.531 5.135
138 2HB LEU 15 HB1 LEU 15 -6.051 -2.479 6.202
139 HG LEU 15 HG LEU 15 -7.772 -2.781 7.707
140 1HD1 LEU 15 HD11 LEU 15 -6.491 -0.747 8.294
141 2HD1 LEU 15 HD12 LEU 15 -8.162 -0.686 8.862
142 3HD1 LEU 15 HD13 LEU 15 -7.684 0.217 7.421
143 1HD2 LEU 15 HD21 LEU 15 -9.755 -0.905 7.024
144 2HD2 LEU 15 HD22 LEU 15 -9.838 -2.666 6.931
145 3HD2 LEU 15 HD23 LEU 15 -9.272 -1.730 5.536
146 H ARG 16 HN ARG 16 -7.218 -1.697 3.194
147 HA ARG 16 HA ARG 16 -4.836 -2.362 2.001
148 1HB ARG 16 HB2 ARG 16 -7.459 -1.562 0.850
149 2HB ARG 16 HB1 ARG 16 -6.119 -1.885 -0.217
150 1HG ARG 16 HG2 ARG 16 -7.428 -3.776 1.713
151 2HG ARG 16 HG1 ARG 16 -7.428 -3.864 -0.048
152 1HD ARG 16 HD2 ARG 16 -4.930 -4.115 0.070
153 2HD ARG 16 HD1 ARG 16 -5.102 -4.272 1.816
154 HE ARG 16 HE ARG 16 -6.424 -6.119 -0.061
155 1HH1 ARG 16 1HH1 ARG 16 -4.445 -5.549 2.770
156 2HH1 ARG 16 2HH1 ARG 16 -4.384 -7.220 3.208
157 1HH2 ARG 16 1HH2 ARG 16 -6.335 -8.312 0.526
158 2HH2 ARG 16 2HH2 ARG 16 -5.452 -8.786 1.939
159 H ASN 17 HN ASN 17 -6.235 0.735 2.292
160 HA ASN 17 HA ASN 17 -4.872 2.116 0.304
161 1HB ASN 17 HB2 ASN 17 -6.552 2.687 2.559
162 2HB ASN 17 HB1 ASN 17 -5.322 3.880 2.402
163 1HD2 ASN 17 HD21 ASN 17 -7.446 5.052 2.083
164 2HD2 ASN 17 HD22 ASN 17 -7.940 5.251 0.449
165 HA PRO 18 HA PRO 18 -1.601 3.734 3.350
166 1HB PRO 18 HB2 PRO 18 -1.623 2.634 5.880
167 2HB PRO 18 HB1 PRO 18 -2.242 4.232 5.453
168 1HG PRO 18 HG2 PRO 18 -3.701 1.646 5.680
169 2HG PRO 18 HG1 PRO 18 -4.176 3.254 6.260
170 1HD PRO 18 HD2 PRO 18 -5.221 2.317 4.031
171 2HD PRO 18 HD1 PRO 18 -4.683 4.001 4.106
172 H ILE 19 HN ILE 19 -2.768 0.544 3.363
173 HA ILE 19 HA ILE 19 -0.293 -0.709 4.085
174 HB ILE 19 HB ILE 19 -2.779 -1.858 2.838
175 1HG1 ILE 19 HG12 ILE 19 -1.694 -1.739 5.646
176 2HG1 ILE 19 HG11 ILE 19 -3.192 -1.057 5.058
177 1HG2 ILE 19 HG21 ILE 19 -0.160 -3.018 3.136
178 2HG2 ILE 19 HG22 ILE 19 -1.602 -3.696 2.384
179 3HG2 ILE 19 HG23 ILE 19 -1.334 -3.895 4.115
180 1HD1 ILE 19 HD11 ILE 19 -4.086 -2.876 6.008
181 2HD1 ILE 19 HD12 ILE 19 -2.581 -3.791 5.921
182 3HD1 ILE 19 HD13 ILE 19 -3.613 -3.653 4.497
183 H LEU 20 HN LEU 20 -1.739 0.264 1.098
184 HA LEU 20 HA LEU 20 0.104 -1.245 -0.526
185 1HB LEU 20 HB2 LEU 20 -0.845 -0.209 -2.421
186 2HB LEU 20 HB1 LEU 20 -2.170 -0.526 -1.325
187 HG LEU 20 HG LEU 20 -1.200 2.111 -0.832
188 1HD1 LEU 20 HD11 LEU 20 -1.426 1.333 -3.686
189 2HD1 LEU 20 HD12 LEU 20 -0.389 2.536 -2.920
190 3HD1 LEU 20 HD13 LEU 20 -2.095 2.888 -3.192
191 1HD2 LEU 20 HD21 LEU 20 -3.422 1.120 -0.385
192 2HD2 LEU 20 HD22 LEU 20 -3.760 1.216 -2.115
193 3HD2 LEU 20 HD23 LEU 20 -3.471 2.691 -1.186
194 H VAL 21 HN VAL 21 -0.282 1.965 0.721
195 HA VAL 21 HA VAL 21 1.877 3.282 -0.452
196 HB VAL 21 HB VAL 21 0.328 3.437 2.072
197 1HG1 VAL 21 HG11 VAL 21 2.652 5.208 1.428
198 2HG1 VAL 21 HG12 VAL 21 2.636 3.909 2.625
199 3HG1 VAL 21 HG13 VAL 21 1.591 5.321 2.836
200 1HG2 VAL 21 HG21 VAL 21 -0.672 4.266 0.036
201 2HG2 VAL 21 HG22 VAL 21 0.695 5.360 -0.214
202 3HG2 VAL 21 HG23 VAL 21 -0.381 5.591 1.167
203 H PHE 22 HN PHE 22 1.421 1.667 2.631
204 HA PHE 22 HA PHE 22 3.931 1.835 3.756
205 1HB PHE 22 HB2 PHE 22 2.488 0.931 5.244
206 2HB PHE 22 HB1 PHE 22 1.495 0.253 3.979
207 HD1 PHE 22 HD1 PHE 22 1.282 -1.861 3.876
208 HD2 PHE 22 HD2 PHE 22 4.823 -0.225 5.419
209 HE1 PHE 22 HE1 PHE 22 2.094 -4.145 4.348
210 HE2 PHE 22 HE2 PHE 22 5.692 -2.467 5.902
211 HZ PHE 22 HZ PHE 22 4.322 -4.449 5.349
212 H LEU 23 HN LEU 23 2.648 -0.172 1.250
213 HA LEU 23 HA LEU 23 4.954 -1.990 1.122
214 1HB LEU 23 HB2 LEU 23 2.587 -1.481 -0.659
215 2HB LEU 23 HB1 LEU 23 3.939 -2.422 -1.253
216 HG LEU 23 HG LEU 23 1.823 -3.538 -0.133
217 1HD1 LEU 23 HD11 LEU 23 3.689 -5.239 0.818
218 2HD1 LEU 23 HD12 LEU 23 4.675 -4.258 -0.269
219 3HD1 LEU 23 HD13 LEU 23 3.258 -5.110 -0.888
220 1HD2 LEU 23 HD21 LEU 23 1.744 -3.568 2.100
221 2HD2 LEU 23 HD22 LEU 23 2.712 -2.096 1.959
222 3HD2 LEU 23 HD23 LEU 23 3.500 -3.648 2.261
223 H LYS 24 HN LYS 24 3.886 0.867 -0.305
224 HA LYS 24 HA LYS 24 5.763 1.094 -2.396
225 1HB LYS 24 HB2 LYS 24 3.448 2.407 -1.374
226 2HB LYS 24 HB1 LYS 24 4.664 3.605 -1.681
227 1HG LYS 24 HG2 LYS 24 3.995 3.531 -3.801
228 2HG LYS 24 HG1 LYS 24 4.729 1.927 -3.869
229 1HD LYS 24 HD2 LYS 24 2.450 1.232 -2.745
230 2HD LYS 24 HD1 LYS 24 1.878 2.685 -3.574
231 1HE LYS 24 HE2 LYS 24 2.857 1.773 -5.684
232 2HE LYS 24 HE1 LYS 24 3.209 0.280 -4.814
233 1HZ LYS 24 HZ1 LYS 24 1.185 -0.141 -5.824
234 2HZ LYS 24 HZ2 LYS 24 0.587 1.416 -5.544
235 3HZ LYS 24 HZ3 LYS 24 0.720 0.320 -4.263
236 H THR 25 HN THR 25 5.460 2.352 0.805
237 HA THR 25 HA THR 25 7.727 4.021 0.750
238 HB THR 25 HB THR 25 6.836 3.293 3.395
239 HG1 THR 25 HG1 THR 25 4.927 2.654 2.288
240 1HG2 THR 25 HG21 THR 25 6.685 5.791 1.761
241 2HG2 THR 25 HG22 THR 25 7.722 5.440 3.144
242 3HG2 THR 25 HG23 THR 25 5.990 5.677 3.377
243 H ARG 26 HN ARG 26 6.966 0.788 2.083
244 HA ARG 26 HA ARG 26 9.407 0.401 3.421
245 1HB ARG 26 HB2 ARG 26 7.438 -1.463 2.122
246 2HB ARG 26 HB1 ARG 26 8.869 -2.068 2.946
247 1HG ARG 26 HG2 ARG 26 6.478 -0.687 4.092
248 2HG ARG 26 HG1 ARG 26 7.206 -2.213 4.553
249 1HD ARG 26 HD2 ARG 26 9.219 -0.866 5.297
250 2HD ARG 26 HD1 ARG 26 8.207 0.563 5.085
251 HE ARG 26 HE ARG 26 7.170 -1.544 6.805
252 1HH1 ARG 26 1HH1 ARG 26 8.770 1.554 6.575
253 2HH1 ARG 26 2HH1 ARG 26 8.398 2.003 8.204
254 1HH2 ARG 26 1HH2 ARG 26 6.685 -0.950 8.944
255 2HH2 ARG 26 2HH2 ARG 26 7.217 0.584 9.549
256 H VAL 27 HN VAL 27 8.354 -0.161 0.156
257 HA VAL 27 HA VAL 27 10.728 -1.338 -0.873
258 HB VAL 27 HB VAL 27 8.136 -0.326 -1.853
259 1HG1 VAL 27 HG11 VAL 27 10.557 -0.468 -3.601
260 2HG1 VAL 27 HG12 VAL 27 9.415 0.857 -3.389
261 3HG1 VAL 27 HG13 VAL 27 8.915 -0.610 -4.232
262 1HG2 VAL 27 HG21 VAL 27 9.762 -2.797 -2.436
263 2HG2 VAL 27 HG22 VAL 27 8.128 -2.491 -3.027
264 3HG2 VAL 27 HG23 VAL 27 8.423 -2.664 -1.297
265 H LEU 28 HN LEU 28 9.673 1.842 -0.199
266 HA LEU 28 HA LEU 28 11.365 3.223 -2.024
267 1HB LEU 28 HB2 LEU 28 9.932 4.899 -1.617
268 2HB LEU 28 HB1 LEU 28 8.987 3.731 -0.769
269 HG LEU 28 HG LEU 28 9.931 4.405 1.332
270 1HD1 LEU 28 HD11 LEU 28 11.217 6.802 0.898
271 2HD1 LEU 28 HD12 LEU 28 11.867 5.753 -0.363
272 3HD1 LEU 28 HD13 LEU 28 11.975 5.272 1.330
273 1HD2 LEU 28 HD21 LEU 28 8.042 5.708 0.019
274 2HD2 LEU 28 HD22 LEU 28 9.225 7.011 0.093
275 3HD2 LEU 28 HD23 LEU 28 8.637 6.272 1.579
276 H LYS 29 HN LYS 29 11.026 2.751 1.395
277 HA LYS 29 HA LYS 29 13.421 4.058 2.137
278 1HB LYS 29 HB2 LYS 29 12.983 3.398 4.345
279 2HB LYS 29 HB1 LYS 29 11.387 3.573 3.634
280 1HG LYS 29 HG2 LYS 29 11.179 1.189 3.391
281 2HG LYS 29 HG1 LYS 29 12.841 0.952 3.937
282 1HD LYS 29 HD2 LYS 29 11.995 2.262 6.049
283 2HD LYS 29 HD1 LYS 29 10.415 1.709 5.495
284 1HE LYS 29 HE2 LYS 29 11.181 -0.597 5.545
285 2HE LYS 29 HE1 LYS 29 12.792 -0.069 6.027
286 1HZ LYS 29 HZ1 LYS 29 10.897 -0.824 7.743
287 2HZ LYS 29 HZ2 LYS 29 10.625 0.846 7.721
288 3HZ LYS 29 HZ3 LYS 29 12.149 0.243 8.141
289 H ARG 30 HN ARG 30 12.578 1.004 0.990
290 HA ARG 30 HA ARG 30 14.959 -0.367 1.749
291 1HB ARG 30 HB2 ARG 30 12.532 -0.898 0.136
292 2HB ARG 30 HB1 ARG 30 13.918 -1.908 -0.160
293 1HG ARG 30 HG2 ARG 30 13.399 -1.614 2.652
294 2HG ARG 30 HG1 ARG 30 11.976 -2.190 1.795
295 1HD ARG 30 HD2 ARG 30 14.116 -3.656 0.745
296 2HD ARG 30 HD1 ARG 30 14.396 -3.601 2.485
297 HE ARG 30 HE ARG 30 11.786 -4.284 2.302
298 1HH1 ARG 30 1HH1 ARG 30 14.694 -5.571 0.863
299 2HH1 ARG 30 2HH1 ARG 30 14.085 -7.189 0.777
300 1HH2 ARG 30 1HH2 ARG 30 10.983 -6.413 2.189
301 2HH2 ARG 30 2HH2 ARG 30 11.979 -7.668 1.529
302 H TRP 31 HN TRP 31 13.661 1.513 -0.808
303 HA TRP 31 HA TRP 31 15.560 1.045 -2.807
304 1HB TRP 31 HB2 TRP 31 13.110 2.341 -2.437
305 2HB TRP 31 HB1 TRP 31 14.218 3.545 -2.965
306 HD1 TRP 31 HD1 TRP 31 12.453 0.570 -4.078
307 HE1 TRP 31 HE1 TRP 31 12.886 0.204 -6.584
308 HE3 TRP 31 HE3 TRP 31 15.966 3.886 -4.491
309 HZ2 TRP 31 HZ2 TRP 31 14.634 1.309 -8.523
310 HZ3 TRP 31 HZ3 TRP 31 17.105 4.302 -6.698
311 HH2 TRP 31 HH2 TRP 31 16.435 3.011 -8.683
312 H ARG 32 HN ARG 32 14.949 3.401 -0.183
313 HA ARG 32 HA ARG 32 17.081 5.177 -0.700
314 1HB ARG 32 HB2 ARG 32 15.774 4.175 1.791
315 2HB ARG 32 HB1 ARG 32 16.840 5.584 1.756
316 1HG ARG 32 HG2 ARG 32 15.284 6.703 0.258
317 2HG ARG 32 HG1 ARG 32 14.234 5.300 0.282
318 1HD ARG 32 HD2 ARG 32 13.222 6.196 2.019
319 2HD ARG 32 HD1 ARG 32 14.669 5.829 2.940
320 HE ARG 32 HE ARG 32 15.018 8.071 3.105
321 1HH1 ARG 32 1HH1 ARG 32 13.149 7.481 0.217
322 2HH1 ARG 32 2HH1 ARG 32 13.000 9.159 -0.181
323 1HH2 ARG 32 1HH2 ARG 32 14.821 10.280 2.585
324 2HH2 ARG 32 2HH2 ARG 32 13.948 10.748 1.163
325 H LEU 33 HN LEU 33 16.681 2.365 1.265
326 HA LEU 33 HA LEU 33 19.169 2.043 2.418
327 1HB LEU 33 HB2 LEU 33 16.742 0.469 1.770
328 2HB LEU 33 HB1 LEU 33 18.101 -0.358 2.409
329 HG LEU 33 HG LEU 33 16.087 0.855 3.796
330 1HD1 LEU 33 HD11 LEU 33 17.964 0.606 5.723
331 2HD1 LEU 33 HD12 LEU 33 18.664 -0.400 4.453
332 3HD1 LEU 33 HD13 LEU 33 17.047 -0.748 5.063
333 1HD2 LEU 33 HD21 LEU 33 18.536 2.499 4.276
334 2HD2 LEU 33 HD22 LEU 33 16.905 2.755 4.898
335 3HD2 LEU 33 HD23 LEU 33 17.248 2.996 3.182
336 H PHE 34 HN PHE 34 17.670 0.884 -0.428
337 HA PHE 34 HA PHE 34 19.797 -0.839 -1.250
338 1HB PHE 34 HB2 PHE 34 17.173 -0.108 -2.172
339 2HB PHE 34 HB1 PHE 34 18.286 -0.399 -3.476
340 HD1 PHE 34 HD1 PHE 34 18.309 -1.830 -0.174
341 HD2 PHE 34 HD2 PHE 34 17.512 -2.456 -4.278
342 HE1 PHE 34 HE1 PHE 34 18.115 -4.235 0.245
343 HE2 PHE 34 HE2 PHE 34 17.301 -4.859 -3.893
344 HZ PHE 34 HZ PHE 34 17.601 -5.782 -1.617
345 H SER 35 HN SER 35 18.995 2.369 -1.394
346 HA SER 35 HA SER 35 20.896 2.927 -3.604
347 1HB SER 35 HB2 SER 35 18.513 4.221 -2.888
348 2HB SER 35 HB1 SER 35 19.799 5.333 -2.432
349 HG SER 35 HG SER 35 18.940 4.566 -4.911
350 H LYS 36 HN LYS 36 20.590 3.223 -0.143
351 HA LYS 36 HA LYS 36 22.903 4.945 0.056
352 1HB LYS 36 HB2 LYS 36 22.080 5.457 2.065
353 2HB LYS 36 HB1 LYS 36 20.720 4.408 1.706
354 1HG LYS 36 HG2 LYS 36 21.731 2.578 2.850
355 2HG LYS 36 HG1 LYS 36 23.255 3.453 3.017
356 1HD LYS 36 HD2 LYS 36 21.969 3.448 5.108
357 2HD LYS 36 HD1 LYS 36 22.191 5.079 4.474
358 1HE LYS 36 HE2 LYS 36 19.783 3.957 3.405
359 2HE LYS 36 HE1 LYS 36 19.780 3.794 5.162
360 1HZ LYS 36 HZ1 LYS 36 19.748 6.212 3.519
361 2HZ LYS 36 HZ2 LYS 36 20.575 6.283 4.992
362 3HZ LYS 36 HZ3 LYS 36 18.933 5.876 4.965
363 H HIS 37 HN HIS 37 22.264 1.596 0.027
364 HA HIS 37 HA HIS 37 24.642 0.775 1.387
365 1HB HIS 37 HB2 HIS 37 22.296 -0.480 0.266
366 2HB HIS 37 HB1 HIS 37 23.745 -1.338 -0.221
367 HD1 HIS 37 HD1 HIS 37 24.234 -3.192 1.334
368 HD2 HIS 37 HD2 HIS 37 22.549 0.064 3.290
369 HE1 HIS 37 HE1 HIS 37 24.096 -3.860 3.754
370 HE2 HIS 37 HE2 HIS 37 23.007 -1.903 4.908
371 H GLU 38 HN GLU 38 23.608 0.792 -2.012
372 HA GLU 38 HA GLU 38 26.309 0.176 -2.874
373 1HB GLU 38 HB2 GLU 38 23.616 0.143 -4.089
374 2HB GLU 38 HB1 GLU 38 24.931 0.571 -5.173
375 1HG GLU 38 HG2 GLU 38 26.067 -1.497 -4.683
376 2HG GLU 38 HG1 GLU 38 24.847 -1.912 -3.479
Start of MODEL 13
1 1H VAL 1 HT1 VAL 1 -24.266 -7.857 0.962
2 2H VAL 1 HT2 VAL 1 -25.607 -8.730 1.582
3 3H VAL 1 HT3 VAL 1 -24.456 -8.046 2.655
4 HA VAL 1 HA VAL 1 -26.421 -6.683 0.955
5 HB VAL 1 HB VAL 1 -25.966 -6.108 3.849
6 1HG1 VAL 1 HG11 VAL 1 -27.904 -5.501 1.817
7 2HG1 VAL 1 HG12 VAL 1 -27.721 -4.812 3.431
8 3HG1 VAL 1 HG13 VAL 1 -28.688 -6.268 3.198
9 1HG2 VAL 1 HG21 VAL 1 -27.325 -7.888 4.619
10 2HG2 VAL 1 HG22 VAL 1 -26.105 -8.623 3.579
11 3HG2 VAL 1 HG23 VAL 1 -27.745 -8.376 2.978
12 H MET 2 HN MET 2 -26.406 -4.269 1.398
13 HA MET 2 HA MET 2 -24.060 -3.136 0.490
14 1HB MET 2 HB2 MET 2 -26.656 -2.225 1.472
15 2HB MET 2 HB1 MET 2 -25.365 -1.087 1.769
16 1HG MET 2 HG2 MET 2 -26.028 -2.275 -0.903
17 2HG MET 2 HG1 MET 2 -26.541 -0.683 -0.347
18 1HE MET 2 HE1 MET 2 -25.848 0.880 -1.547
19 2HE MET 2 HE2 MET 2 -24.305 1.139 -2.360
20 3HE MET 2 HE3 MET 2 -24.508 1.629 -0.678
21 HA PRO 3 HA PRO 3 -23.467 -1.393 5.142
22 1HB PRO 3 HB2 PRO 3 -24.250 -3.641 6.721
23 2HB PRO 3 HB1 PRO 3 -24.937 -2.024 6.726
24 1HG PRO 3 HG2 PRO 3 -25.860 -4.456 5.324
25 2HG PRO 3 HG1 PRO 3 -26.800 -3.071 5.908
26 1HD PRO 3 HD2 PRO 3 -26.341 -3.424 3.303
27 2HD PRO 3 HD1 PRO 3 -26.319 -1.797 4.017
28 H LYS 4 HN LYS 4 -23.233 -4.669 4.064
29 HA LYS 4 HA LYS 4 -20.667 -5.048 5.426
30 1HB LYS 4 HB2 LYS 4 -22.521 -6.908 3.954
31 2HB LYS 4 HB1 LYS 4 -20.918 -7.399 4.485
32 1HG LYS 4 HG2 LYS 4 -22.587 -6.175 6.568
33 2HG LYS 4 HG1 LYS 4 -23.180 -7.713 5.937
34 1HD LYS 4 HD2 LYS 4 -20.355 -7.285 6.892
35 2HD LYS 4 HD1 LYS 4 -21.651 -7.887 7.926
36 1HE LYS 4 HE2 LYS 4 -21.988 -9.659 6.077
37 2HE LYS 4 HE1 LYS 4 -20.375 -9.186 5.546
38 1HZ LYS 4 HZ1 LYS 4 -21.153 -10.797 7.778
39 2HZ LYS 4 HZ2 LYS 4 -20.102 -9.551 8.233
40 3HZ LYS 4 HZ3 LYS 4 -19.642 -10.649 7.031
41 H GLN 5 HN GLN 5 -21.937 -4.297 2.330
42 HA GLN 5 HA GLN 5 -19.576 -5.183 0.939
43 1HB GLN 5 HB2 GLN 5 -21.082 -5.409 -0.718
44 2HB GLN 5 HB1 GLN 5 -22.291 -4.650 0.297
45 1HG GLN 5 HG2 GLN 5 -22.319 -3.341 -1.555
46 2HG GLN 5 HG1 GLN 5 -21.274 -2.435 -0.495
47 1HE2 GLN 5 HE21 GLN 5 -19.022 -4.229 -1.015
48 2HE2 GLN 5 HE22 GLN 5 -18.539 -3.888 -2.615
49 H ILE 6 HN ILE 6 -20.908 -2.254 2.234
50 HA ILE 6 HA ILE 6 -18.956 -0.639 0.867
51 HB ILE 6 HB ILE 6 -19.893 1.154 2.452
52 1HG1 ILE 6 HG12 ILE 6 -22.190 0.851 3.128
53 2HG1 ILE 6 HG11 ILE 6 -22.196 -0.784 2.535
54 1HG2 ILE 6 HG21 ILE 6 -21.568 0.012 0.250
55 2HG2 ILE 6 HG22 ILE 6 -20.146 1.037 0.038
56 3HG2 ILE 6 HG23 ILE 6 -21.591 1.682 0.823
57 1HD1 ILE 6 HD11 ILE 6 -20.976 -1.555 4.301
58 2HD1 ILE 6 HD12 ILE 6 -21.847 -0.235 5.075
59 3HD1 ILE 6 HD13 ILE 6 -20.171 -0.012 4.561
60 H VAL 7 HN VAL 7 -19.450 -2.256 3.879
61 HA VAL 7 HA VAL 7 -17.439 -0.885 5.379
62 HB VAL 7 HB VAL 7 -19.522 -2.283 6.199
63 1HG1 VAL 7 HG11 VAL 7 -17.390 -4.413 6.175
64 2HG1 VAL 7 HG12 VAL 7 -18.804 -4.386 5.121
65 3HG1 VAL 7 HG13 VAL 7 -19.008 -4.544 6.865
66 1HG2 VAL 7 HG21 VAL 7 -17.021 -2.703 7.743
67 2HG2 VAL 7 HG22 VAL 7 -18.629 -2.241 8.303
68 3HG2 VAL 7 HG23 VAL 7 -17.627 -1.077 7.438
69 H TYR 8 HN TYR 8 -17.851 -3.782 3.511
70 HA TYR 8 HA TYR 8 -15.356 -5.040 3.863
71 1HB TYR 8 HB2 TYR 8 -17.643 -5.245 2.084
72 2HB TYR 8 HB1 TYR 8 -16.130 -5.452 1.209
73 HD1 TYR 8 HD1 TYR 8 -14.427 -6.698 3.161
74 HD2 TYR 8 HD2 TYR 8 -18.524 -7.392 2.349
75 HE1 TYR 8 HE1 TYR 8 -14.218 -8.858 4.082
76 HE2 TYR 8 HE2 TYR 8 -18.331 -9.612 3.262
77 HH TYR 8 HH TYR 8 -16.573 -11.309 3.696
78 H TRP 9 HN TRP 9 -16.682 -2.750 1.537
79 HA TRP 9 HA TRP 9 -14.400 -2.277 -0.047
80 1HB TRP 9 HB2 TRP 9 -16.995 -0.996 0.495
81 2HB TRP 9 HB1 TRP 9 -15.715 0.153 0.107
82 HD1 TRP 9 HD1 TRP 9 -18.197 -1.894 -1.497
83 HE1 TRP 9 HE1 TRP 9 -17.623 -2.075 -4.034
84 HE3 TRP 9 HE3 TRP 9 -13.555 -0.159 -1.343
85 HZ2 TRP 9 HZ2 TRP 9 -15.463 -1.529 -5.715
86 HZ3 TRP 9 HZ3 TRP 9 -12.239 0.024 -3.419
87 HH2 TRP 9 HH2 TRP 9 -13.205 -0.666 -5.568
88 H LYS 10 HN LYS 10 -15.894 -0.362 2.370
89 HA LYS 10 HA LYS 10 -13.999 1.541 2.893
90 1HB LYS 10 HB2 LYS 10 -16.172 1.748 3.832
91 2HB LYS 10 HB1 LYS 10 -16.027 0.217 4.679
92 1HG LYS 10 HG2 LYS 10 -13.933 1.694 5.664
93 2HG LYS 10 HG1 LYS 10 -15.229 2.874 5.486
94 1HD LYS 10 HD2 LYS 10 -16.061 0.316 6.653
95 2HD LYS 10 HD1 LYS 10 -14.904 1.220 7.631
96 1HE LYS 10 HE2 LYS 10 -16.695 3.152 6.818
97 2HE LYS 10 HE1 LYS 10 -17.719 1.745 7.101
98 1HZ LYS 10 HZ1 LYS 10 -17.006 1.603 9.321
99 2HZ LYS 10 HZ2 LYS 10 -17.317 3.245 9.063
100 3HZ LYS 10 HZ3 LYS 10 -15.724 2.680 9.079
101 H GLN 11 HN GLN 11 -14.348 -1.606 4.535
102 HA GLN 11 HA GLN 11 -11.959 -1.152 6.069
103 1HB GLN 11 HB2 GLN 11 -12.358 -3.230 7.075
104 2HB GLN 11 HB1 GLN 11 -13.961 -2.603 6.760
105 1HG GLN 11 HG2 GLN 11 -14.267 -4.065 4.923
106 2HG GLN 11 HG1 GLN 11 -12.568 -4.512 4.909
107 1HE2 GLN 11 HE21 GLN 11 -13.158 -4.474 8.118
108 2HE2 GLN 11 HE22 GLN 11 -13.703 -6.094 8.336
109 H TRP 12 HN TRP 12 -12.245 -1.596 2.960
110 HA TRP 12 HA TRP 12 -9.838 -3.278 2.699
111 1HB TRP 12 HB2 TRP 12 -11.998 -3.952 1.514
112 2HB TRP 12 HB1 TRP 12 -11.757 -2.597 0.480
113 HD1 TRP 12 HD1 TRP 12 -10.747 -6.068 0.932
114 HE1 TRP 12 HE1 TRP 12 -8.902 -6.656 -0.744
115 HE3 TRP 12 HE3 TRP 12 -9.832 -1.473 -0.630
116 HZ2 TRP 12 HZ2 TRP 12 -7.256 -5.267 -2.573
117 HZ3 TRP 12 HZ3 TRP 12 -8.102 -1.059 -2.385
118 HH2 TRP 12 HH2 TRP 12 -6.826 -2.971 -3.340
119 H LEU 13 HN LEU 13 -11.336 -0.190 1.749
120 HA LEU 13 HA LEU 13 -8.814 0.585 0.497
121 1HB LEU 13 HB2 LEU 13 -10.916 1.015 -0.728
122 2HB LEU 13 HB1 LEU 13 -11.473 2.023 0.594
123 HG LEU 13 HG LEU 13 -9.445 3.493 0.156
124 1HD1 LEU 13 HD11 LEU 13 -9.013 3.092 -2.515
125 2HD1 LEU 13 HD12 LEU 13 -9.079 1.445 -1.891
126 3HD1 LEU 13 HD13 LEU 13 -7.927 2.598 -1.218
127 1HD2 LEU 13 HD21 LEU 13 -11.819 3.181 -1.610
128 2HD2 LEU 13 HD22 LEU 13 -10.575 4.348 -2.061
129 3HD2 LEU 13 HD23 LEU 13 -11.396 4.488 -0.506
130 H SER 14 HN SER 14 -10.389 0.790 3.471
131 HA SER 14 HA SER 14 -9.234 3.333 4.182
132 1HB SER 14 HB2 SER 14 -11.403 1.950 5.166
133 2HB SER 14 HB1 SER 14 -10.179 1.634 6.385
134 HG SER 14 HG SER 14 -11.166 4.134 5.507
135 H LEU 15 HN LEU 15 -8.777 -0.059 4.967
136 HA LEU 15 HA LEU 15 -6.419 0.480 6.487
137 1HB LEU 15 HB2 LEU 15 -7.540 -2.152 5.551
138 2HB LEU 15 HB1 LEU 15 -6.354 -1.899 6.810
139 HG LEU 15 HG LEU 15 -8.265 -2.249 8.049
140 1HD1 LEU 15 HD11 LEU 15 -7.255 -0.075 8.659
141 2HD1 LEU 15 HD12 LEU 15 -8.993 -0.122 8.955
142 3HD1 LEU 15 HD13 LEU 15 -8.362 0.720 7.537
143 1HD2 LEU 15 HD21 LEU 15 -10.252 -0.608 6.917
144 2HD2 LEU 15 HD22 LEU 15 -10.184 -2.371 6.961
145 3HD2 LEU 15 HD23 LEU 15 -9.478 -1.490 5.595
146 H ARG 16 HN ARG 16 -7.098 -1.431 3.593
147 HA ARG 16 HA ARG 16 -4.540 -2.010 2.840
148 1HB ARG 16 HB2 ARG 16 -6.955 -1.421 1.217
149 2HB ARG 16 HB1 ARG 16 -5.439 -1.713 0.409
150 1HG ARG 16 HG2 ARG 16 -6.946 -3.592 2.209
151 2HG ARG 16 HG1 ARG 16 -6.668 -3.755 0.474
152 1HD ARG 16 HD2 ARG 16 -4.235 -3.909 0.931
153 2HD ARG 16 HD1 ARG 16 -4.592 -3.874 2.658
154 HE ARG 16 HE ARG 16 -6.078 -5.940 1.841
155 1HH1 ARG 16 1HH1 ARG 16 -2.741 -5.123 1.216
156 2HH1 ARG 16 2HH1 ARG 16 -2.238 -6.772 1.061
157 1HH2 ARG 16 1HH2 ARG 16 -5.415 -8.108 1.642
158 2HH2 ARG 16 2HH2 ARG 16 -3.755 -8.466 1.303
159 H ASN 17 HN ASN 17 -6.157 1.005 2.613
160 HA ASN 17 HA ASN 17 -4.553 2.389 0.846
161 1HB ASN 17 HB2 ASN 17 -6.579 2.942 2.807
162 2HB ASN 17 HB1 ASN 17 -5.406 4.197 2.781
163 1HD2 ASN 17 HD21 ASN 17 -7.573 5.179 2.109
164 2HD2 ASN 17 HD22 ASN 17 -7.805 5.315 0.411
165 HA PRO 18 HA PRO 18 -1.856 4.311 4.292
166 1HB PRO 18 HB2 PRO 18 -2.185 3.196 6.807
167 2HB PRO 18 HB1 PRO 18 -2.783 4.775 6.292
168 1HG PRO 18 HG2 PRO 18 -4.187 2.155 6.355
169 2HG PRO 18 HG1 PRO 18 -4.790 3.762 6.798
170 1HD PRO 18 HD2 PRO 18 -5.454 2.700 4.472
171 2HD PRO 18 HD1 PRO 18 -5.018 4.412 4.571
172 H ILE 19 HN ILE 19 -2.837 1.055 4.229
173 HA ILE 19 HA ILE 19 -0.391 -0.038 5.232
174 HB ILE 19 HB ILE 19 -2.558 -1.368 3.629
175 1HG1 ILE 19 HG12 ILE 19 -2.003 -1.211 6.589
176 2HG1 ILE 19 HG11 ILE 19 -3.380 -0.535 5.750
177 1HG2 ILE 19 HG21 ILE 19 -0.603 -2.820 5.361
178 2HG2 ILE 19 HG22 ILE 19 -0.190 -2.418 3.698
179 3HG2 ILE 19 HG23 ILE 19 -1.588 -3.432 4.033
180 1HD1 ILE 19 HD11 ILE 19 -4.236 -2.441 6.737
181 2HD1 ILE 19 HD12 ILE 19 -2.790 -3.389 6.392
182 3HD1 ILE 19 HD13 ILE 19 -3.900 -2.967 5.088
183 H LEU 20 HN LEU 20 -1.653 0.669 2.095
184 HA LEU 20 HA LEU 20 0.318 -0.528 0.486
185 1HB LEU 20 HB2 LEU 20 -1.379 1.911 -0.077
186 2HB LEU 20 HB1 LEU 20 -0.399 1.081 -1.266
187 HG LEU 20 HG LEU 20 -3.058 0.440 -0.242
188 1HD1 LEU 20 HD11 LEU 20 -3.468 0.152 -2.412
189 2HD1 LEU 20 HD12 LEU 20 -2.095 -0.937 -2.615
190 3HD1 LEU 20 HD13 LEU 20 -1.853 0.808 -2.683
191 1HD2 LEU 20 HD21 LEU 20 -1.792 -1.327 0.889
192 2HD2 LEU 20 HD22 LEU 20 -1.090 -1.806 -0.659
193 3HD2 LEU 20 HD23 LEU 20 -2.825 -1.973 -0.389
194 H VAL 21 HN VAL 21 -0.152 2.600 1.899
195 HA VAL 21 HA VAL 21 2.050 4.003 1.046
196 HB VAL 21 HB VAL 21 0.345 3.854 3.453
197 1HG1 VAL 21 HG11 VAL 21 1.576 5.425 4.670
198 2HG1 VAL 21 HG12 VAL 21 2.604 5.811 3.287
199 3HG1 VAL 21 HG13 VAL 21 2.751 4.242 4.086
200 1HG2 VAL 21 HG21 VAL 21 -0.468 4.972 1.476
201 2HG2 VAL 21 HG22 VAL 21 0.929 6.057 1.481
202 3HG2 VAL 21 HG23 VAL 21 -0.254 6.131 2.791
203 H PHE 22 HN PHE 22 1.473 2.015 3.877
204 HA PHE 22 HA PHE 22 3.967 2.080 5.100
205 1HB PHE 22 HB2 PHE 22 2.520 1.070 6.485
206 2HB PHE 22 HB1 PHE 22 1.505 0.543 5.167
207 HD1 PHE 22 HD1 PHE 22 4.771 -0.141 6.629
208 HD2 PHE 22 HD2 PHE 22 1.305 -1.587 4.739
209 HE1 PHE 22 HE1 PHE 22 5.644 -2.424 6.840
210 HE2 PHE 22 HE2 PHE 22 2.127 -3.897 4.930
211 HZ PHE 22 HZ PHE 22 4.319 -4.324 5.975
212 H LEU 23 HN LEU 23 2.734 0.350 2.372
213 HA LEU 23 HA LEU 23 5.100 -1.423 2.266
214 1HB LEU 23 HB2 LEU 23 2.824 -1.027 0.340
215 2HB LEU 23 HB1 LEU 23 4.188 -2.075 0.005
216 HG LEU 23 HG LEU 23 3.334 -3.003 2.439
217 1HD1 LEU 23 HD11 LEU 23 0.787 -2.882 1.018
218 2HD1 LEU 23 HD12 LEU 23 1.365 -1.328 1.637
219 3HD1 LEU 23 HD13 LEU 23 1.150 -2.696 2.736
220 1HD2 LEU 23 HD21 LEU 23 3.130 -3.818 -0.381
221 2HD2 LEU 23 HD22 LEU 23 1.986 -4.602 0.708
222 3HD2 LEU 23 HD23 LEU 23 3.718 -4.714 1.019
223 H LYS 24 HN LYS 24 3.866 1.438 0.870
224 HA LYS 24 HA LYS 24 5.612 1.720 -1.299
225 1HB LYS 24 HB2 LYS 24 3.486 3.107 -0.022
226 2HB LYS 24 HB1 LYS 24 4.754 4.247 -0.334
227 1HG LYS 24 HG2 LYS 24 3.952 4.375 -2.402
228 2HG LYS 24 HG1 LYS 24 4.549 2.730 -2.632
229 1HD LYS 24 HD2 LYS 24 2.265 2.191 -1.354
230 2HD LYS 24 HD1 LYS 24 1.797 3.690 -2.171
231 1HE LYS 24 HE2 LYS 24 3.031 2.402 -4.195
232 2HE LYS 24 HE1 LYS 24 2.408 1.026 -3.285
233 1HZ LYS 24 HZ1 LYS 24 0.305 1.509 -3.836
234 2HZ LYS 24 HZ2 LYS 24 1.000 2.386 -5.104
235 3HZ LYS 24 HZ3 LYS 24 0.520 3.182 -3.692
236 H THR 25 HN THR 25 5.647 2.839 1.980
237 HA THR 25 HA THR 25 8.046 4.317 1.812
238 HB THR 25 HB THR 25 6.552 4.935 3.540
239 HG1 THR 25 HG1 THR 25 8.814 4.734 4.177
240 1HG2 THR 25 HG21 THR 25 5.657 2.391 3.590
241 2HG2 THR 25 HG22 THR 25 5.302 3.599 4.829
242 3HG2 THR 25 HG23 THR 25 6.607 2.440 5.079
243 H ARG 26 HN ARG 26 7.172 1.073 2.972
244 HA ARG 26 HA ARG 26 9.705 0.323 3.928
245 1HB ARG 26 HB2 ARG 26 7.416 -1.209 2.728
246 2HB ARG 26 HB1 ARG 26 8.855 -2.022 3.334
247 1HG ARG 26 HG2 ARG 26 6.769 -0.511 4.854
248 2HG ARG 26 HG1 ARG 26 7.343 -2.151 5.097
249 1HD ARG 26 HD2 ARG 26 9.501 -1.260 5.861
250 2HD ARG 26 HD1 ARG 26 8.886 0.378 5.631
251 HE ARG 26 HE ARG 26 7.814 0.201 7.632
252 1HH1 ARG 26 1HH1 ARG 26 8.553 -3.017 6.503
253 2HH1 ARG 26 2HH1 ARG 26 7.988 -3.788 7.947
254 1HH2 ARG 26 1HH2 ARG 26 7.071 -0.809 9.531
255 2HH2 ARG 26 2HH2 ARG 26 7.147 -2.535 9.667
256 H VAL 27 HN VAL 27 8.240 0.224 0.781
257 HA VAL 27 HA VAL 27 10.347 -1.086 -0.617
258 HB VAL 27 HB VAL 27 7.765 0.228 -1.201
259 1HG1 VAL 27 HG11 VAL 27 8.216 0.035 -3.661
260 2HG1 VAL 27 HG12 VAL 27 9.928 -0.062 -3.244
261 3HG1 VAL 27 HG13 VAL 27 8.995 1.370 -2.813
262 1HG2 VAL 27 HG21 VAL 27 8.092 -2.222 -0.775
263 2HG2 VAL 27 HG22 VAL 27 8.949 -2.304 -2.315
264 3HG2 VAL 27 HG23 VAL 27 7.251 -1.828 -2.275
265 H LEU 28 HN LEU 28 9.658 2.092 0.427
266 HA LEU 28 HA LEU 28 11.208 3.509 -1.485
267 1HB LEU 28 HB2 LEU 28 10.042 5.256 -0.691
268 2HB LEU 28 HB1 LEU 28 9.104 4.088 0.165
269 HG LEU 28 HG LEU 28 10.450 4.408 2.152
270 1HD1 LEU 28 HD11 LEU 28 12.528 5.173 1.917
271 2HD1 LEU 28 HD12 LEU 28 11.818 6.778 1.756
272 3HD1 LEU 28 HD13 LEU 28 12.187 5.829 0.317
273 1HD2 LEU 28 HD21 LEU 28 8.550 6.108 1.138
274 2HD2 LEU 28 HD22 LEU 28 9.846 7.206 1.612
275 3HD2 LEU 28 HD23 LEU 28 9.147 6.103 2.797
276 H LYS 29 HN LYS 29 11.323 2.747 1.897
277 HA LYS 29 HA LYS 29 13.916 3.760 2.351
278 1HB LYS 29 HB2 LYS 29 13.793 2.787 4.534
279 2HB LYS 29 HB1 LYS 29 12.198 3.413 4.150
280 1HG LYS 29 HG2 LYS 29 11.430 1.168 3.609
281 2HG LYS 29 HG1 LYS 29 13.041 0.527 3.947
282 1HD LYS 29 HD2 LYS 29 11.782 2.142 6.080
283 2HD LYS 29 HD1 LYS 29 11.058 0.567 5.756
284 1HE LYS 29 HE2 LYS 29 13.963 0.466 5.863
285 2HE LYS 29 HE1 LYS 29 13.251 1.063 7.361
286 1HZ LYS 29 HZ1 LYS 29 11.691 -0.976 7.039
287 2HZ LYS 29 HZ2 LYS 29 13.231 -1.185 7.707
288 3HZ LYS 29 HZ3 LYS 29 12.956 -1.563 6.081
289 H ARG 30 HN ARG 30 12.626 0.902 1.099
290 HA ARG 30 HA ARG 30 14.985 -0.685 1.370
291 1HB ARG 30 HB2 ARG 30 12.284 -0.951 0.193
292 2HB ARG 30 HB1 ARG 30 13.515 -2.038 -0.379
293 1HG ARG 30 HG2 ARG 30 13.497 -1.847 2.491
294 2HG ARG 30 HG1 ARG 30 11.918 -2.294 1.864
295 1HD ARG 30 HD2 ARG 30 14.521 -3.694 1.256
296 2HD ARG 30 HD1 ARG 30 13.275 -4.273 2.356
297 HE ARG 30 HE ARG 30 11.900 -4.766 0.517
298 1HH1 ARG 30 1HH1 ARG 30 14.995 -3.480 -0.484
299 2HH1 ARG 30 2HH1 ARG 30 14.832 -4.038 -2.113
300 1HH2 ARG 30 1HH2 ARG 30 11.698 -5.494 -1.628
301 2HH2 ARG 30 2HH2 ARG 30 12.968 -5.178 -2.762
302 H TRP 31 HN TRP 31 13.419 1.422 -0.853
303 HA TRP 31 HA TRP 31 14.934 0.908 -3.154
304 1HB TRP 31 HB2 TRP 31 12.681 2.382 -2.345
305 2HB TRP 31 HB1 TRP 31 13.794 3.499 -3.028
306 HD1 TRP 31 HD1 TRP 31 11.627 0.710 -3.896
307 HE1 TRP 31 HE1 TRP 31 11.616 0.399 -6.446
308 HE3 TRP 31 HE3 TRP 31 15.279 3.766 -4.807
309 HZ2 TRP 31 HZ2 TRP 31 13.108 1.439 -8.622
310 HZ3 TRP 31 HZ3 TRP 31 16.074 4.172 -7.161
311 HH2 TRP 31 HH2 TRP 31 14.990 3.004 -9.038
312 H ARG 32 HN ARG 32 14.900 3.159 -0.412
313 HA ARG 32 HA ARG 32 17.016 4.854 -1.125
314 1HB ARG 32 HB2 ARG 32 16.022 3.750 1.473
315 2HB ARG 32 HB1 ARG 32 17.100 5.145 1.355
316 1HG ARG 32 HG2 ARG 32 14.414 5.082 0.017
317 2HG ARG 32 HG1 ARG 32 14.618 5.596 1.671
318 1HD ARG 32 HD2 ARG 32 16.034 6.723 -0.706
319 2HD ARG 32 HD1 ARG 32 14.604 7.434 0.034
320 HE ARG 32 HE ARG 32 17.134 7.113 1.515
321 1HH1 ARG 32 1HH1 ARG 32 14.444 9.102 0.485
322 2HH1 ARG 32 2HH1 ARG 32 14.916 10.449 1.461
323 1HH2 ARG 32 1HH2 ARG 32 17.743 8.888 2.790
324 2HH2 ARG 32 2HH2 ARG 32 16.784 10.331 2.765
325 H LEU 33 HN LEU 33 16.764 1.926 0.697
326 HA LEU 33 HA LEU 33 19.390 1.435 1.428
327 1HB LEU 33 HB2 LEU 33 16.803 0.026 1.123
328 2HB LEU 33 HB1 LEU 33 18.195 -0.911 1.470
329 HG LEU 33 HG LEU 33 16.526 0.307 3.242
330 1HD1 LEU 33 HD11 LEU 33 19.208 -0.223 4.302
331 2HD1 LEU 33 HD12 LEU 33 18.510 -1.542 3.362
332 3HD1 LEU 33 HD13 LEU 33 17.652 -0.910 4.767
333 1HD2 LEU 33 HD21 LEU 33 17.597 2.103 4.278
334 2HD2 LEU 33 HD22 LEU 33 17.706 2.420 2.543
335 3HD2 LEU 33 HD23 LEU 33 19.107 1.796 3.416
336 H PHE 34 HN PHE 34 17.376 0.511 -1.179
337 HA PHE 34 HA PHE 34 19.252 -1.261 -2.421
338 1HB PHE 34 HB2 PHE 34 16.530 -0.426 -2.825
339 2HB PHE 34 HB1 PHE 34 17.384 -0.686 -4.320
340 HD1 PHE 34 HD1 PHE 34 16.468 -2.706 -5.059
341 HD2 PHE 34 HD2 PHE 34 17.926 -2.239 -1.118
342 HE1 PHE 34 HE1 PHE 34 16.284 -5.121 -4.728
343 HE2 PHE 34 HE2 PHE 34 17.753 -4.656 -0.754
344 HZ PHE 34 HZ PHE 34 16.922 -6.129 -2.561
345 H SER 35 HN SER 35 18.604 1.975 -2.302
346 HA SER 35 HA SER 35 20.056 2.547 -4.827
347 1HB SER 35 HB2 SER 35 17.939 3.920 -3.594
348 2HB SER 35 HB1 SER 35 19.352 4.943 -3.364
349 HG SER 35 HG SER 35 18.461 3.870 -5.833
350 H LYS 36 HN LYS 36 20.378 2.821 -1.355
351 HA LYS 36 HA LYS 36 22.794 4.373 -1.509
352 1HB LYS 36 HB2 LYS 36 22.725 4.468 0.783
353 2HB LYS 36 HB1 LYS 36 21.033 4.195 0.412
354 1HG LYS 36 HG2 LYS 36 21.254 1.850 0.952
355 2HG LYS 36 HG1 LYS 36 22.984 2.056 1.236
356 1HD LYS 36 HD2 LYS 36 21.601 2.011 3.315
357 2HD LYS 36 HD1 LYS 36 22.572 3.471 3.124
358 1HE LYS 36 HE2 LYS 36 19.793 3.489 2.067
359 2HE LYS 36 HE1 LYS 36 20.011 3.561 3.815
360 1HZ LYS 36 HZ1 LYS 36 20.421 5.712 3.607
361 2HZ LYS 36 HZ2 LYS 36 20.307 5.622 1.923
362 3HZ LYS 36 HZ3 LYS 36 21.797 5.372 2.684
363 H HIS 37 HN HIS 37 21.981 1.090 -1.666
364 HA HIS 37 HA HIS 37 24.485 0.011 -0.847
365 1HB HIS 37 HB2 HIS 37 23.140 -1.744 -0.704
366 2HB HIS 37 HB1 HIS 37 21.876 -0.952 -1.570
367 HD1 HIS 37 HD1 HIS 37 24.583 -3.473 -1.993
368 HD2 HIS 37 HD2 HIS 37 21.647 -1.589 -4.236
369 HE1 HIS 37 HE1 HIS 37 24.392 -4.828 -4.106
370 HE2 HIS 37 HE2 HIS 37 22.521 -3.739 -5.400
371 H GLU 38 HN GLU 38 22.855 0.088 -3.983
372 HA GLU 38 HA GLU 38 25.507 0.227 -5.259
373 1HB GLU 38 HB2 GLU 38 24.724 -1.034 -7.105
374 2HB GLU 38 HB1 GLU 38 24.197 -1.890 -5.669
375 1HG GLU 38 HG2 GLU 38 22.043 -1.683 -6.203
376 2HG GLU 38 HG1 GLU 38 22.220 0.013 -6.646
Start of MODEL 14
1 1H VAL 1 HT1 VAL 1 -26.370 2.396 -1.116
2 2H VAL 1 HT2 VAL 1 -26.939 1.812 0.394
3 3H VAL 1 HT3 VAL 1 -27.364 1.001 -1.057
4 HA VAL 1 HA VAL 1 -25.356 0.078 -1.324
5 HB VAL 1 HB VAL 1 -23.323 0.897 -0.101
6 1HG1 VAL 1 HG11 VAL 1 -23.822 3.287 -1.557
7 2HG1 VAL 1 HG12 VAL 1 -24.605 1.950 -2.399
8 3HG1 VAL 1 HG13 VAL 1 -22.880 1.878 -2.041
9 1HG2 VAL 1 HG21 VAL 1 -24.418 2.089 1.706
10 2HG2 VAL 1 HG22 VAL 1 -25.126 3.225 0.557
11 3HG2 VAL 1 HG23 VAL 1 -23.379 3.187 0.798
12 H MET 2 HN MET 2 -24.883 -1.777 -0.275
13 HA MET 2 HA MET 2 -26.201 -2.420 2.102
14 1HB MET 2 HB2 MET 2 -24.425 -3.726 0.177
15 2HB MET 2 HB1 MET 2 -24.296 -4.353 1.802
16 1HG MET 2 HG2 MET 2 -26.729 -4.718 1.829
17 2HG MET 2 HG1 MET 2 -26.795 -4.144 0.162
18 1HE MET 2 HE1 MET 2 -26.305 -8.203 1.677
19 2HE MET 2 HE2 MET 2 -26.452 -6.692 2.575
20 3HE MET 2 HE3 MET 2 -24.857 -7.355 2.218
21 HA PRO 3 HA PRO 3 -23.556 -0.501 5.160
22 1HB PRO 3 HB2 PRO 3 -24.229 -2.512 7.047
23 2HB PRO 3 HB1 PRO 3 -24.914 -0.900 6.908
24 1HG PRO 3 HG2 PRO 3 -25.948 -3.484 5.915
25 2HG PRO 3 HG1 PRO 3 -26.838 -2.034 6.413
26 1HD PRO 3 HD2 PRO 3 -26.612 -2.721 3.839
27 2HD PRO 3 HD1 PRO 3 -26.576 -1.017 4.343
28 H LYS 4 HN LYS 4 -23.502 -3.854 4.381
29 HA LYS 4 HA LYS 4 -20.905 -4.256 5.658
30 1HB LYS 4 HB2 LYS 4 -22.732 -6.184 4.226
31 2HB LYS 4 HB1 LYS 4 -21.244 -6.626 5.051
32 1HG LYS 4 HG2 LYS 4 -22.269 -5.684 7.154
33 2HG LYS 4 HG1 LYS 4 -23.790 -5.591 6.264
34 1HD LYS 4 HD2 LYS 4 -22.783 -8.175 5.814
35 2HD LYS 4 HD1 LYS 4 -22.558 -7.856 7.536
36 1HE LYS 4 HE2 LYS 4 -24.690 -8.563 7.686
37 2HE LYS 4 HE1 LYS 4 -25.063 -6.913 7.188
38 1HZ LYS 4 HZ1 LYS 4 -24.633 -9.005 5.160
39 2HZ LYS 4 HZ2 LYS 4 -25.527 -7.575 5.044
40 3HZ LYS 4 HZ3 LYS 4 -26.130 -8.877 5.937
41 H GLN 5 HN GLN 5 -22.221 -3.610 2.560
42 HA GLN 5 HA GLN 5 -19.951 -4.712 1.165
43 1HB GLN 5 HB2 GLN 5 -21.455 -4.898 -0.488
44 2HB GLN 5 HB1 GLN 5 -22.626 -4.150 0.574
45 1HG GLN 5 HG2 GLN 5 -22.809 -2.752 -1.152
46 2HG GLN 5 HG1 GLN 5 -21.504 -1.938 -0.340
47 1HE2 GLN 5 HE21 GLN 5 -19.447 -3.606 -1.083
48 2HE2 GLN 5 HE22 GLN 5 -19.259 -3.494 -2.778
49 H ILE 6 HN ILE 6 -21.034 -1.667 2.353
50 HA ILE 6 HA ILE 6 -19.017 -0.258 0.839
51 HB ILE 6 HB ILE 6 -19.831 1.692 2.291
52 1HG1 ILE 6 HG12 ILE 6 -22.141 1.567 2.999
53 2HG1 ILE 6 HG11 ILE 6 -22.232 -0.108 2.540
54 1HG2 ILE 6 HG21 ILE 6 -21.642 2.097 0.656
55 2HG2 ILE 6 HG22 ILE 6 -21.452 0.424 0.125
56 3HG2 ILE 6 HG23 ILE 6 -20.118 1.565 -0.060
57 1HD1 ILE 6 HD11 ILE 6 -21.053 -0.793 4.359
58 2HD1 ILE 6 HD12 ILE 6 -21.815 0.645 5.025
59 3HD1 ILE 6 HD13 ILE 6 -20.140 0.705 4.473
60 H VAL 7 HN VAL 7 -19.584 -1.648 3.936
61 HA VAL 7 HA VAL 7 -17.485 -0.315 5.347
62 HB VAL 7 HB VAL 7 -19.641 -1.535 6.254
63 1HG1 VAL 7 HG11 VAL 7 -17.640 -3.784 6.357
64 2HG1 VAL 7 HG12 VAL 7 -19.041 -3.734 5.289
65 3HG1 VAL 7 HG13 VAL 7 -19.266 -3.782 7.036
66 1HG2 VAL 7 HG21 VAL 7 -17.130 -1.986 7.780
67 2HG2 VAL 7 HG22 VAL 7 -18.716 -1.475 8.358
68 3HG2 VAL 7 HG23 VAL 7 -17.713 -0.362 7.430
69 H TYR 8 HN TYR 8 -18.081 -3.271 3.631
70 HA TYR 8 HA TYR 8 -15.673 -4.673 4.060
71 1HB TYR 8 HB2 TYR 8 -17.972 -4.829 2.294
72 2HB TYR 8 HB1 TYR 8 -16.480 -5.168 1.427
73 HD1 TYR 8 HD1 TYR 8 -14.846 -6.415 3.441
74 HD2 TYR 8 HD2 TYR 8 -18.977 -6.908 2.656
75 HE1 TYR 8 HE1 TYR 8 -14.760 -8.539 4.458
76 HE2 TYR 8 HE2 TYR 8 -18.911 -9.093 3.668
77 HH TYR 8 HH TYR 8 -16.519 -10.145 5.649
78 H TRP 9 HN TRP 9 -16.846 -2.421 1.618
79 HA TRP 9 HA TRP 9 -14.529 -2.205 0.021
80 1HB TRP 9 HB2 TRP 9 -17.045 -0.740 0.447
81 2HB TRP 9 HB1 TRP 9 -15.695 0.305 0.003
82 HD1 TRP 9 HD1 TRP 9 -18.257 -1.754 -1.488
83 HE1 TRP 9 HE1 TRP 9 -17.676 -2.112 -4.005
84 HE3 TRP 9 HE3 TRP 9 -13.563 -0.164 -1.405
85 HZ2 TRP 9 HZ2 TRP 9 -15.488 -1.744 -5.699
86 HZ3 TRP 9 HZ3 TRP 9 -12.227 -0.155 -3.480
87 HH2 TRP 9 HH2 TRP 9 -13.202 -0.947 -5.588
88 H LYS 10 HN LYS 10 -15.918 -0.053 2.294
89 HA LYS 10 HA LYS 10 -13.909 1.753 2.731
90 1HB LYS 10 HB2 LYS 10 -16.066 2.145 3.650
91 2HB LYS 10 HB1 LYS 10 -16.016 0.654 4.578
92 1HG LYS 10 HG2 LYS 10 -13.834 2.054 5.486
93 2HG LYS 10 HG1 LYS 10 -15.061 3.294 5.251
94 1HD LYS 10 HD2 LYS 10 -16.401 2.469 6.894
95 2HD LYS 10 HD1 LYS 10 -15.922 0.797 6.585
96 1HE LYS 10 HE2 LYS 10 -15.005 1.268 8.679
97 2HE LYS 10 HE1 LYS 10 -13.653 1.471 7.566
98 1HZ LYS 10 HZ1 LYS 10 -15.278 3.599 8.838
99 2HZ LYS 10 HZ2 LYS 10 -14.198 3.897 7.570
100 3HZ LYS 10 HZ3 LYS 10 -13.626 3.298 9.045
101 H GLN 11 HN GLN 11 -14.449 -1.274 4.532
102 HA GLN 11 HA GLN 11 -12.054 -0.893 6.068
103 1HB GLN 11 HB2 GLN 11 -12.576 -2.906 7.152
104 2HB GLN 11 HB1 GLN 11 -14.136 -2.190 6.804
105 1HG GLN 11 HG2 GLN 11 -14.509 -3.691 5.000
106 2HG GLN 11 HG1 GLN 11 -12.852 -4.265 5.056
107 1HE2 GLN 11 HE21 GLN 11 -13.522 -4.037 8.241
108 2HE2 GLN 11 HE22 GLN 11 -14.194 -5.602 8.513
109 H TRP 12 HN TRP 12 -12.337 -1.480 2.978
110 HA TRP 12 HA TRP 12 -10.020 -3.299 2.836
111 1HB TRP 12 HB2 TRP 12 -12.199 -3.911 1.652
112 2HB TRP 12 HB1 TRP 12 -11.871 -2.624 0.558
113 HD1 TRP 12 HD1 TRP 12 -11.058 -6.120 1.191
114 HE1 TRP 12 HE1 TRP 12 -9.231 -6.886 -0.432
115 HE3 TRP 12 HE3 TRP 12 -9.876 -1.661 -0.576
116 HZ2 TRP 12 HZ2 TRP 12 -7.492 -5.679 -2.303
117 HZ3 TRP 12 HZ3 TRP 12 -8.110 -1.426 -2.325
118 HH2 TRP 12 HH2 TRP 12 -6.930 -3.448 -3.172
119 H LEU 13 HN LEU 13 -11.331 -0.183 1.715
120 HA LEU 13 HA LEU 13 -8.744 0.384 0.478
121 1HB LEU 13 HB2 LEU 13 -10.895 0.854 -0.745
122 2HB LEU 13 HB1 LEU 13 -11.242 2.083 0.456
123 HG LEU 13 HG LEU 13 -8.902 3.033 -0.266
124 1HD1 LEU 13 HD11 LEU 13 -9.738 1.599 -2.778
125 2HD1 LEU 13 HD12 LEU 13 -8.423 1.071 -1.726
126 3HD1 LEU 13 HD13 LEU 13 -8.325 2.628 -2.549
127 1HD2 LEU 13 HD21 LEU 13 -11.122 3.385 -2.241
128 2HD2 LEU 13 HD22 LEU 13 -10.005 4.584 -1.592
129 3HD2 LEU 13 HD23 LEU 13 -11.298 3.945 -0.578
130 H SER 14 HN SER 14 -10.353 0.817 3.406
131 HA SER 14 HA SER 14 -9.082 3.334 4.016
132 1HB SER 14 HB2 SER 14 -11.333 2.116 5.023
133 2HB SER 14 HB1 SER 14 -10.151 1.795 6.279
134 HG SER 14 HG SER 14 -10.892 4.321 5.228
135 H LEU 15 HN LEU 15 -8.804 -0.037 4.954
136 HA LEU 15 HA LEU 15 -6.448 0.452 6.500
137 1HB LEU 15 HB2 LEU 15 -7.703 -2.155 5.673
138 2HB LEU 15 HB1 LEU 15 -6.522 -1.908 6.941
139 HG LEU 15 HG LEU 15 -8.467 -2.083 8.162
140 1HD1 LEU 15 HD11 LEU 15 -8.409 0.855 7.492
141 2HD1 LEU 15 HD12 LEU 15 -7.347 0.070 8.665
142 3HD1 LEU 15 HD13 LEU 15 -9.087 0.121 8.948
143 1HD2 LEU 15 HD21 LEU 15 -10.368 -2.165 7.040
144 2HD2 LEU 15 HD22 LEU 15 -9.596 -1.388 5.649
145 3HD2 LEU 15 HD23 LEU 15 -10.345 -0.403 6.914
146 H ARG 16 HN ARG 16 -7.185 -1.558 3.688
147 HA ARG 16 HA ARG 16 -4.639 -2.309 3.017
148 1HB ARG 16 HB2 ARG 16 -7.004 -1.690 1.328
149 2HB ARG 16 HB1 ARG 16 -5.490 -2.075 0.554
150 1HG ARG 16 HG2 ARG 16 -7.127 -3.812 2.376
151 2HG ARG 16 HG1 ARG 16 -6.758 -4.072 0.671
152 1HD ARG 16 HD2 ARG 16 -4.307 -4.135 1.403
153 2HD ARG 16 HD1 ARG 16 -4.933 -4.302 3.043
154 HE ARG 16 HE ARG 16 -4.821 -6.324 1.044
155 1HH1 ARG 16 1HH1 ARG 16 -6.709 -5.195 3.756
156 2HH1 ARG 16 2HH1 ARG 16 -7.369 -6.757 4.104
157 1HH2 ARG 16 1HH2 ARG 16 -5.690 -8.377 1.503
158 2HH2 ARG 16 2HH2 ARG 16 -6.789 -8.563 2.830
159 H ASN 17 HN ASN 17 -6.106 0.755 2.613
160 HA ASN 17 HA ASN 17 -4.409 1.993 0.822
161 1HB ASN 17 HB2 ASN 17 -6.420 2.712 2.742
162 2HB ASN 17 HB1 ASN 17 -5.176 3.896 2.705
163 1HD2 ASN 17 HD21 ASN 17 -7.273 4.988 1.982
164 2HD2 ASN 17 HD22 ASN 17 -7.474 5.101 0.278
165 HA PRO 18 HA PRO 18 -1.753 3.856 4.359
166 1HB PRO 18 HB2 PRO 18 -2.147 2.637 6.823
167 2HB PRO 18 HB1 PRO 18 -2.692 4.254 6.367
168 1HG PRO 18 HG2 PRO 18 -4.168 1.674 6.307
169 2HG PRO 18 HG1 PRO 18 -4.739 3.284 6.778
170 1HD PRO 18 HD2 PRO 18 -5.368 2.294 4.408
171 2HD PRO 18 HD1 PRO 18 -4.909 3.995 4.565
172 H ILE 19 HN ILE 19 -2.801 0.608 4.239
173 HA ILE 19 HA ILE 19 -0.336 -0.552 5.182
174 HB ILE 19 HB ILE 19 -2.529 -1.862 3.585
175 1HG1 ILE 19 HG12 ILE 19 -2.031 -1.695 6.558
176 2HG1 ILE 19 HG11 ILE 19 -3.375 -0.989 5.685
177 1HG2 ILE 19 HG21 ILE 19 -0.058 -2.865 3.903
178 2HG2 ILE 19 HG22 ILE 19 -1.506 -3.866 3.829
179 3HG2 ILE 19 HG23 ILE 19 -0.808 -3.439 5.390
180 1HD1 ILE 19 HD11 ILE 19 -4.556 -2.845 5.903
181 2HD1 ILE 19 HD12 ILE 19 -3.266 -3.491 6.917
182 3HD1 ILE 19 HD13 ILE 19 -3.264 -3.804 5.181
183 H LEU 20 HN LEU 20 -1.599 0.370 2.110
184 HA LEU 20 HA LEU 20 0.406 -0.936 0.570
185 1HB LEU 20 HB2 LEU 20 -1.335 1.416 -0.207
186 2HB LEU 20 HB1 LEU 20 -0.372 0.452 -1.309
187 HG LEU 20 HG LEU 20 -3.024 -0.066 -0.177
188 1HD1 LEU 20 HD11 LEU 20 -1.532 -1.011 -2.616
189 2HD1 LEU 20 HD12 LEU 20 -2.723 0.288 -2.533
190 3HD1 LEU 20 HD13 LEU 20 -3.220 -1.383 -2.264
191 1HD2 LEU 20 HD21 LEU 20 -1.764 -1.735 1.076
192 2HD2 LEU 20 HD22 LEU 20 -1.047 -2.330 -0.423
193 3HD2 LEU 20 HD23 LEU 20 -2.782 -2.495 -0.148
194 H VAL 21 HN VAL 21 -0.178 2.269 1.801
195 HA VAL 21 HA VAL 21 2.023 3.659 0.872
196 HB VAL 21 HB VAL 21 0.329 3.614 3.298
197 1HG1 VAL 21 HG11 VAL 21 2.630 5.502 2.975
198 2HG1 VAL 21 HG12 VAL 21 2.637 4.057 3.991
199 3HG1 VAL 21 HG13 VAL 21 1.518 5.382 4.342
200 1HG2 VAL 21 HG21 VAL 21 -0.534 4.608 1.269
201 2HG2 VAL 21 HG22 VAL 21 0.833 5.725 1.206
202 3HG2 VAL 21 HG23 VAL 21 -0.339 5.838 2.522
203 H PHE 22 HN PHE 22 1.421 1.872 3.812
204 HA PHE 22 HA PHE 22 3.869 1.990 5.083
205 1HB PHE 22 HB2 PHE 22 2.362 1.070 6.479
206 2HB PHE 22 HB1 PHE 22 1.399 0.454 5.161
207 HD1 PHE 22 HD1 PHE 22 1.252 -1.691 4.823
208 HD2 PHE 22 HD2 PHE 22 4.592 -0.111 6.821
209 HE1 PHE 22 HE1 PHE 22 2.080 -3.980 5.178
210 HE2 PHE 22 HE2 PHE 22 5.462 -2.371 7.217
211 HZ PHE 22 HZ PHE 22 4.206 -4.328 6.375
212 H LEU 23 HN LEU 23 2.763 0.081 2.375
213 HA LEU 23 HA LEU 23 5.214 -1.559 2.612
214 1HB LEU 23 HB2 LEU 23 4.065 -3.193 1.615
215 2HB LEU 23 HB1 LEU 23 2.642 -2.166 1.754
216 HG LEU 23 HG LEU 23 4.320 -1.669 -0.603
217 1HD1 LEU 23 HD11 LEU 23 2.720 -4.206 -0.285
218 2HD1 LEU 23 HD12 LEU 23 4.451 -4.085 -0.601
219 3HD1 LEU 23 HD13 LEU 23 3.292 -3.569 -1.826
220 1HD2 LEU 23 HD21 LEU 23 1.969 -0.892 0.362
221 2HD2 LEU 23 HD22 LEU 23 1.449 -2.180 -0.739
222 3HD2 LEU 23 HD23 LEU 23 2.401 -0.823 -1.353
223 H LYS 24 HN LYS 24 3.969 1.139 0.998
224 HA LYS 24 HA LYS 24 5.635 1.176 -1.266
225 1HB LYS 24 HB2 LYS 24 3.485 2.652 -0.090
226 2HB LYS 24 HB1 LYS 24 4.726 3.765 -0.565
227 1HG LYS 24 HG2 LYS 24 3.853 3.645 -2.607
228 2HG LYS 24 HG1 LYS 24 4.492 2.001 -2.672
229 1HD LYS 24 HD2 LYS 24 2.311 1.508 -3.062
230 2HD LYS 24 HD1 LYS 24 2.294 1.501 -1.293
231 1HE LYS 24 HE2 LYS 24 0.842 3.184 -1.249
232 2HE LYS 24 HE1 LYS 24 1.887 4.171 -2.269
233 1HZ LYS 24 HZ1 LYS 24 -0.055 3.972 -3.489
234 2HZ LYS 24 HZ2 LYS 24 -0.287 2.348 -3.077
235 3HZ LYS 24 HZ3 LYS 24 0.930 2.776 -4.170
236 H THR 25 HN THR 25 5.610 2.587 1.914
237 HA THR 25 HA THR 25 7.939 4.138 1.647
238 HB THR 25 HB THR 25 6.375 4.738 3.352
239 HG1 THR 25 HG1 THR 25 8.085 5.262 4.434
240 1HG2 THR 25 HG21 THR 25 5.649 2.235 3.644
241 2HG2 THR 25 HG22 THR 25 5.459 3.405 4.950
242 3HG2 THR 25 HG23 THR 25 6.822 2.287 4.960
243 H ARG 26 HN ARG 26 7.257 0.918 3.032
244 HA ARG 26 HA ARG 26 9.848 0.366 3.952
245 1HB ARG 26 HB2 ARG 26 7.663 -1.376 2.844
246 2HB ARG 26 HB1 ARG 26 9.144 -2.049 3.518
247 1HG ARG 26 HG2 ARG 26 6.929 -0.596 4.908
248 2HG ARG 26 HG1 ARG 26 7.594 -2.184 5.253
249 1HD ARG 26 HD2 ARG 26 9.495 0.040 5.490
250 2HD ARG 26 HD1 ARG 26 8.162 0.081 6.633
251 HE ARG 26 HE ARG 26 9.025 -1.776 7.680
252 1HH1 ARG 26 1HH1 ARG 26 10.692 -1.279 4.653
253 2HH1 ARG 26 2HH1 ARG 26 11.928 -2.441 5.001
254 1HH2 ARG 26 1HH2 ARG 26 10.649 -3.303 8.136
255 2HH2 ARG 26 2HH2 ARG 26 11.903 -3.591 6.975
256 H VAL 27 HN VAL 27 8.335 0.034 0.847
257 HA VAL 27 HA VAL 27 10.486 -1.213 -0.540
258 HB VAL 27 HB VAL 27 7.824 -0.070 -1.114
259 1HG1 VAL 27 HG11 VAL 27 9.969 -0.257 -3.190
260 2HG1 VAL 27 HG12 VAL 27 8.932 1.109 -2.785
261 3HG1 VAL 27 HG13 VAL 27 8.250 -0.307 -3.585
262 1HG2 VAL 27 HG21 VAL 27 8.168 -2.450 -0.649
263 2HG2 VAL 27 HG22 VAL 27 9.216 -2.570 -2.063
264 3HG2 VAL 27 HG23 VAL 27 7.506 -2.187 -2.262
265 H LEU 28 HN LEU 28 9.653 1.967 0.386
266 HA LEU 28 HA LEU 28 11.108 3.384 -1.595
267 1HB LEU 28 HB2 LEU 28 9.873 5.105 -0.868
268 2HB LEU 28 HB1 LEU 28 8.985 3.926 0.027
269 HG LEU 28 HG LEU 28 10.319 4.381 2.007
270 1HD1 LEU 28 HD11 LEU 28 11.977 5.813 0.116
271 2HD1 LEU 28 HD12 LEU 28 12.342 5.261 1.751
272 3HD1 LEU 28 HD13 LEU 28 11.545 6.815 1.503
273 1HD2 LEU 28 HD21 LEU 28 9.607 7.116 1.552
274 2HD2 LEU 28 HD22 LEU 28 8.790 5.901 2.532
275 3HD2 LEU 28 HD23 LEU 28 8.401 6.059 0.820
276 H LYS 29 HN LYS 29 11.293 2.764 1.816
277 HA LYS 29 HA LYS 29 13.837 3.927 2.179
278 1HB LYS 29 HB2 LYS 29 13.793 3.106 4.418
279 2HB LYS 29 HB1 LYS 29 12.163 3.620 4.022
280 1HG LYS 29 HG2 LYS 29 11.728 1.655 5.074
281 2HG LYS 29 HG1 LYS 29 11.852 1.082 3.418
282 1HD LYS 29 HD2 LYS 29 13.118 -0.417 4.749
283 2HD LYS 29 HD1 LYS 29 14.287 0.592 3.900
284 1HE LYS 29 HE2 LYS 29 13.867 2.027 6.178
285 2HE LYS 29 HE1 LYS 29 13.709 0.372 6.765
286 1HZ LYS 29 HZ1 LYS 29 15.941 0.617 6.943
287 2HZ LYS 29 HZ2 LYS 29 16.049 1.749 5.691
288 3HZ LYS 29 HZ3 LYS 29 15.894 0.104 5.330
289 H ARG 30 HN ARG 30 12.694 0.993 1.027
290 HA ARG 30 HA ARG 30 15.120 -0.477 1.366
291 1HB ARG 30 HB2 ARG 30 12.436 -0.903 0.194
292 2HB ARG 30 HB1 ARG 30 13.717 -1.949 -0.345
293 1HG ARG 30 HG2 ARG 30 13.695 -1.680 2.514
294 2HG ARG 30 HG1 ARG 30 12.130 -2.201 1.909
295 1HD ARG 30 HD2 ARG 30 12.947 -4.187 1.084
296 2HD ARG 30 HD1 ARG 30 14.574 -3.543 0.864
297 HE ARG 30 HE ARG 30 15.086 -4.259 2.967
298 1HH1 ARG 30 1HH1 ARG 30 11.612 -4.071 2.686
299 2HH1 ARG 30 2HH1 ARG 30 11.324 -4.775 4.241
300 1HH2 ARG 30 1HH2 ARG 30 14.707 -5.189 5.011
301 2HH2 ARG 30 2HH2 ARG 30 13.078 -5.410 5.560
302 H TRP 31 HN TRP 31 13.456 1.496 -0.900
303 HA TRP 31 HA TRP 31 14.966 1.011 -3.208
304 1HB TRP 31 HB2 TRP 31 12.659 2.383 -2.401
305 2HB TRP 31 HB1 TRP 31 13.706 3.550 -3.104
306 HD1 TRP 31 HD1 TRP 31 11.665 0.656 -3.924
307 HE1 TRP 31 HE1 TRP 31 11.647 0.314 -6.467
308 HE3 TRP 31 HE3 TRP 31 15.169 3.862 -4.903
309 HZ2 TRP 31 HZ2 TRP 31 13.071 1.393 -8.670
310 HZ3 TRP 31 HZ3 TRP 31 15.922 4.274 -7.269
311 HH2 TRP 31 HH2 TRP 31 14.874 3.037 -9.122
312 H ARG 32 HN ARG 32 14.836 3.364 -0.523
313 HA ARG 32 HA ARG 32 16.897 5.089 -1.345
314 1HB ARG 32 HB2 ARG 32 15.932 4.111 1.307
315 2HB ARG 32 HB1 ARG 32 17.041 5.477 1.132
316 1HG ARG 32 HG2 ARG 32 15.358 6.668 -0.151
317 2HG ARG 32 HG1 ARG 32 14.264 5.310 -0.014
318 1HD ARG 32 HD2 ARG 32 13.724 7.052 1.599
319 2HD ARG 32 HD1 ARG 32 14.202 5.545 2.374
320 HE ARG 32 HE ARG 32 16.465 7.172 2.127
321 1HH1 ARG 32 1HH1 ARG 32 13.442 7.081 3.870
322 2HH1 ARG 32 2HH1 ARG 32 14.056 7.955 5.232
323 1HH2 ARG 32 1HH2 ARG 32 17.275 8.323 3.919
324 2HH2 ARG 32 2HH2 ARG 32 16.232 8.662 5.260
325 H LEU 33 HN LEU 33 16.798 2.315 0.727
326 HA LEU 33 HA LEU 33 19.428 1.928 1.408
327 1HB LEU 33 HB2 LEU 33 16.892 0.409 1.188
328 2HB LEU 33 HB1 LEU 33 18.326 -0.469 1.538
329 HG LEU 33 HG LEU 33 16.651 0.749 3.306
330 1HD1 LEU 33 HD11 LEU 33 19.520 0.032 3.866
331 2HD1 LEU 33 HD12 LEU 33 18.215 -1.145 3.724
332 3HD1 LEU 33 HD13 LEU 33 18.185 0.053 5.018
333 1HD2 LEU 33 HD21 LEU 33 17.768 2.872 2.496
334 2HD2 LEU 33 HD22 LEU 33 19.179 2.327 3.404
335 3HD2 LEU 33 HD23 LEU 33 17.653 2.625 4.241
336 H PHE 34 HN PHE 34 17.457 0.793 -1.147
337 HA PHE 34 HA PHE 34 19.367 -0.958 -2.319
338 1HB PHE 34 HB2 PHE 34 16.680 -0.080 -2.847
339 2HB PHE 34 HB1 PHE 34 17.581 -0.393 -4.300
340 HD1 PHE 34 HD1 PHE 34 16.574 -2.381 -5.016
341 HD2 PHE 34 HD2 PHE 34 18.016 -1.917 -1.069
342 HE1 PHE 34 HE1 PHE 34 16.294 -4.781 -4.653
343 HE2 PHE 34 HE2 PHE 34 17.751 -4.317 -0.675
344 HZ PHE 34 HZ PHE 34 16.880 -5.783 -2.468
345 H SER 35 HN SER 35 18.646 2.283 -2.308
346 HA SER 35 HA SER 35 20.252 2.838 -4.734
347 1HB SER 35 HB2 SER 35 18.065 4.200 -3.676
348 2HB SER 35 HB1 SER 35 19.443 5.237 -3.315
349 HG SER 35 HG SER 35 19.764 5.562 -5.392
350 H LYS 36 HN LYS 36 20.522 2.964 -1.255
351 HA LYS 36 HA LYS 36 22.955 4.548 -1.414
352 1HB LYS 36 HB2 LYS 36 21.869 3.210 1.053
353 2HB LYS 36 HB1 LYS 36 22.984 4.563 0.964
354 1HG LYS 36 HG2 LYS 36 20.512 5.147 -0.384
355 2HG LYS 36 HG1 LYS 36 20.240 4.666 1.289
356 1HD LYS 36 HD2 LYS 36 20.531 7.026 1.290
357 2HD LYS 36 HD1 LYS 36 22.027 6.336 1.923
358 1HE LYS 36 HE2 LYS 36 23.212 7.266 0.288
359 2HE LYS 36 HE1 LYS 36 22.170 6.540 -0.936
360 1HZ LYS 36 HZ1 LYS 36 21.866 9.165 0.398
361 2HZ LYS 36 HZ2 LYS 36 20.588 8.430 -0.432
362 3HZ LYS 36 HZ3 LYS 36 22.008 8.839 -1.256
363 H HIS 37 HN HIS 37 21.957 1.317 -0.637
364 HA HIS 37 HA HIS 37 24.600 0.344 -0.142
365 1HB HIS 37 HB2 HIS 37 21.915 -0.661 0.053
366 2HB HIS 37 HB1 HIS 37 22.928 -1.829 -0.771
367 HD1 HIS 37 HD1 HIS 37 23.797 -3.477 0.856
368 HD2 HIS 37 HD2 HIS 37 23.539 0.335 2.487
369 HE1 HIS 37 HE1 HIS 37 24.659 -3.694 3.210
370 HE2 HIS 37 HE2 HIS 37 24.445 -1.385 4.196
371 H GLU 38 HN GLU 38 22.458 0.404 -2.940
372 HA GLU 38 HA GLU 38 22.696 -0.333 -5.078
373 1HB GLU 38 HB2 GLU 38 24.869 0.380 -6.126
374 2HB GLU 38 HB1 GLU 38 24.009 1.643 -5.258
375 1HG GLU 38 HG2 GLU 38 25.506 1.417 -3.376
376 2HG GLU 38 HG1 GLU 38 26.330 0.071 -4.162
Start of MODEL 15
1 1H VAL 1 HT1 VAL 1 -26.835 0.382 -0.154
2 2H VAL 1 HT2 VAL 1 -27.267 -0.155 -1.725
3 3H VAL 1 HT3 VAL 1 -26.199 1.175 -1.533
4 HA VAL 1 HA VAL 1 -25.421 -1.279 -2.027
5 HB VAL 1 HB VAL 1 -23.220 -0.627 -1.148
6 1HG1 VAL 1 HG11 VAL 1 -22.862 1.167 -2.610
7 2HG1 VAL 1 HG12 VAL 1 -24.484 1.810 -2.359
8 3HG1 VAL 1 HG13 VAL 1 -24.257 0.324 -3.281
9 1HG2 VAL 1 HG21 VAL 1 -23.408 1.915 -0.221
10 2HG2 VAL 1 HG22 VAL 1 -23.294 0.486 0.807
11 3HG2 VAL 1 HG23 VAL 1 -24.870 1.199 0.459
12 H MET 2 HN MET 2 -24.515 -3.054 -0.946
13 HA MET 2 HA MET 2 -25.835 -3.846 1.392
14 1HB MET 2 HB2 MET 2 -23.866 -4.947 -0.477
15 2HB MET 2 HB1 MET 2 -23.730 -5.561 1.154
16 1HG MET 2 HG2 MET 2 -26.234 -6.009 1.012
17 2HG MET 2 HG1 MET 2 -26.046 -5.734 -0.719
18 1HE MET 2 HE1 MET 2 -23.937 -7.679 -2.153
19 2HE MET 2 HE2 MET 2 -25.619 -7.158 -2.246
20 3HE MET 2 HE3 MET 2 -25.234 -8.874 -2.120
21 HA PRO 3 HA PRO 3 -23.482 -1.605 4.489
22 1HB PRO 3 HB2 PRO 3 -24.041 -3.642 6.385
23 2HB PRO 3 HB1 PRO 3 -24.858 -2.098 6.198
24 1HG PRO 3 HG2 PRO 3 -25.631 -4.775 5.215
25 2HG PRO 3 HG1 PRO 3 -26.660 -3.400 5.660
26 1HD PRO 3 HD2 PRO 3 -26.289 -4.102 3.109
27 2HD PRO 3 HD1 PRO 3 -26.412 -2.393 3.583
28 H LYS 4 HN LYS 4 -23.111 -4.942 3.751
29 HA LYS 4 HA LYS 4 -20.546 -5.125 5.139
30 1HB LYS 4 HB2 LYS 4 -22.306 -6.940 5.248
31 2HB LYS 4 HB1 LYS 4 -21.962 -7.257 3.551
32 1HG LYS 4 HG2 LYS 4 -20.164 -8.461 4.052
33 2HG LYS 4 HG1 LYS 4 -19.541 -7.211 5.131
34 1HD LYS 4 HD2 LYS 4 -21.527 -8.161 6.659
35 2HD LYS 4 HD1 LYS 4 -21.154 -9.617 5.735
36 1HE LYS 4 HE2 LYS 4 -19.525 -9.979 7.214
37 2HE LYS 4 HE1 LYS 4 -18.669 -8.644 6.443
38 1HZ LYS 4 HZ1 LYS 4 -20.266 -7.328 8.127
39 2HZ LYS 4 HZ2 LYS 4 -18.691 -7.810 8.512
40 3HZ LYS 4 HZ3 LYS 4 -20.007 -8.748 9.011
41 H GLN 5 HN GLN 5 -21.758 -4.583 1.973
42 HA GLN 5 HA GLN 5 -19.331 -5.500 0.718
43 1HB GLN 5 HB2 GLN 5 -20.755 -5.846 -0.986
44 2HB GLN 5 HB1 GLN 5 -22.020 -5.081 -0.049
45 1HG GLN 5 HG2 GLN 5 -22.031 -3.863 -1.965
46 2HG GLN 5 HG1 GLN 5 -21.050 -2.870 -0.920
47 1HE2 GLN 5 HE21 GLN 5 -18.725 -4.617 -1.283
48 2HE2 GLN 5 HE22 GLN 5 -18.204 -4.336 -2.883
49 H ILE 6 HN ILE 6 -20.756 -2.546 1.808
50 HA ILE 6 HA ILE 6 -18.790 -0.960 0.420
51 HB ILE 6 HB ILE 6 -19.820 0.896 1.864
52 1HG1 ILE 6 HG12 ILE 6 -22.132 0.576 2.485
53 2HG1 ILE 6 HG11 ILE 6 -22.077 -1.094 1.994
54 1HG2 ILE 6 HG21 ILE 6 -21.432 1.317 0.146
55 2HG2 ILE 6 HG22 ILE 6 -21.438 -0.392 -0.296
56 3HG2 ILE 6 HG23 ILE 6 -19.990 0.583 -0.559
57 1HD1 ILE 6 HD11 ILE 6 -20.891 -1.717 3.834
58 2HD1 ILE 6 HD12 ILE 6 -21.816 -0.379 4.503
59 3HD1 ILE 6 HD13 ILE 6 -20.133 -0.142 4.021
60 H VAL 7 HN VAL 7 -19.357 -2.431 3.489
61 HA VAL 7 HA VAL 7 -17.427 -0.948 4.992
62 HB VAL 7 HB VAL 7 -19.499 -2.384 5.794
63 1HG1 VAL 7 HG11 VAL 7 -18.909 -4.590 6.600
64 2HG1 VAL 7 HG12 VAL 7 -17.286 -4.426 5.929
65 3HG1 VAL 7 HG13 VAL 7 -18.680 -4.506 4.853
66 1HG2 VAL 7 HG21 VAL 7 -17.037 -2.622 7.438
67 2HG2 VAL 7 HG22 VAL 7 -18.685 -2.230 7.930
68 3HG2 VAL 7 HG23 VAL 7 -17.721 -1.046 7.053
69 H TYR 8 HN TYR 8 -17.707 -3.911 3.222
70 HA TYR 8 HA TYR 8 -15.184 -5.102 3.682
71 1HB TYR 8 HB2 TYR 8 -17.422 -5.691 2.149
72 2HB TYR 8 HB1 TYR 8 -16.176 -5.369 0.950
73 HD1 TYR 8 HD1 TYR 8 -15.430 -7.427 0.165
74 HD2 TYR 8 HD2 TYR 8 -15.987 -6.856 4.325
75 HE1 TYR 8 HE1 TYR 8 -14.410 -9.567 0.593
76 HE2 TYR 8 HE2 TYR 8 -14.982 -8.943 4.770
77 HH TYR 8 HH TYR 8 -13.370 -10.545 3.658
78 H TRP 9 HN TRP 9 -16.516 -2.951 1.232
79 HA TRP 9 HA TRP 9 -14.217 -2.469 -0.315
80 1HB TRP 9 HB2 TRP 9 -16.838 -1.200 0.157
81 2HB TRP 9 HB1 TRP 9 -15.562 -0.065 -0.288
82 HD1 TRP 9 HD1 TRP 9 -18.035 -2.198 -1.803
83 HE1 TRP 9 HE1 TRP 9 -17.439 -2.515 -4.320
84 HE3 TRP 9 HE3 TRP 9 -13.389 -0.465 -1.701
85 HZ2 TRP 9 HZ2 TRP 9 -15.262 -2.068 -6.011
86 HZ3 TRP 9 HZ3 TRP 9 -12.054 -0.400 -3.772
87 HH2 TRP 9 HH2 TRP 9 -13.003 -1.204 -5.891
88 H LYS 10 HN LYS 10 -15.778 -0.488 2.002
89 HA LYS 10 HA LYS 10 -13.904 1.446 2.503
90 1HB LYS 10 HB2 LYS 10 -16.130 1.627 3.365
91 2HB LYS 10 HB1 LYS 10 -15.937 0.168 4.324
92 1HG LYS 10 HG2 LYS 10 -13.917 1.751 5.241
93 2HG LYS 10 HG1 LYS 10 -15.204 2.911 4.919
94 1HD LYS 10 HD2 LYS 10 -16.639 1.939 6.453
95 2HD LYS 10 HD1 LYS 10 -15.809 0.382 6.388
96 1HE LYS 10 HE2 LYS 10 -14.185 1.029 7.861
97 2HE LYS 10 HE1 LYS 10 -14.297 2.729 7.407
98 1HZ LYS 10 HZ1 LYS 10 -16.713 2.251 8.508
99 2HZ LYS 10 HZ2 LYS 10 -15.398 2.939 9.321
100 3HZ LYS 10 HZ3 LYS 10 -15.704 1.282 9.459
101 H GLN 11 HN GLN 11 -14.311 -1.611 4.279
102 HA GLN 11 HA GLN 11 -11.980 -1.139 5.874
103 1HB GLN 11 HB2 GLN 11 -12.389 -3.188 6.901
104 2HB GLN 11 HB1 GLN 11 -13.991 -2.628 6.485
105 1HG GLN 11 HG2 GLN 11 -14.263 -4.215 4.838
106 2HG GLN 11 HG1 GLN 11 -12.534 -4.443 4.612
107 1HE2 GLN 11 HE21 GLN 11 -12.679 -4.511 7.856
108 2HE2 GLN 11 HE22 GLN 11 -13.010 -6.182 8.108
109 H TRP 12 HN TRP 12 -12.130 -1.625 2.755
110 HA TRP 12 HA TRP 12 -9.686 -3.256 2.631
111 1HB TRP 12 HB2 TRP 12 -11.789 -3.960 1.352
112 2HB TRP 12 HB1 TRP 12 -11.488 -2.630 0.302
113 HD1 TRP 12 HD1 TRP 12 -10.525 -6.094 0.883
114 HE1 TRP 12 HE1 TRP 12 -8.582 -6.722 -0.665
115 HE3 TRP 12 HE3 TRP 12 -9.485 -1.531 -0.699
116 HZ2 TRP 12 HZ2 TRP 12 -6.814 -5.376 -2.409
117 HZ3 TRP 12 HZ3 TRP 12 -7.641 -1.160 -2.348
118 HH2 TRP 12 HH2 TRP 12 -6.320 -3.097 -3.186
119 H LEU 13 HN LEU 13 -11.197 -0.192 1.612
120 HA LEU 13 HA LEU 13 -8.647 0.651 0.466
121 1HB LEU 13 HB2 LEU 13 -11.371 1.961 0.454
122 2HB LEU 13 HB1 LEU 13 -9.935 2.651 -0.279
123 HG LEU 13 HG LEU 13 -11.107 -0.001 -1.103
124 1HD1 LEU 13 HD11 LEU 13 -12.798 1.428 -1.738
125 2HD1 LEU 13 HD12 LEU 13 -11.755 1.460 -3.160
126 3HD1 LEU 13 HD13 LEU 13 -11.701 2.784 -1.996
127 1HD2 LEU 13 HD21 LEU 13 -9.079 1.829 -2.384
128 2HD2 LEU 13 HD22 LEU 13 -9.726 0.355 -3.105
129 3HD2 LEU 13 HD23 LEU 13 -8.756 0.265 -1.635
130 H SER 14 HN SER 14 -10.335 0.786 3.374
131 HA SER 14 HA SER 14 -9.283 3.356 4.153
132 1HB SER 14 HB2 SER 14 -11.452 1.943 5.032
133 2HB SER 14 HB1 SER 14 -10.276 1.579 6.286
134 HG SER 14 HG SER 14 -11.058 4.165 5.415
135 H LEU 15 HN LEU 15 -8.771 -0.023 4.937
136 HA LEU 15 HA LEU 15 -6.473 0.550 6.540
137 1HB LEU 15 HB2 LEU 15 -7.521 -2.096 5.561
138 2HB LEU 15 HB1 LEU 15 -6.386 -1.827 6.866
139 HG LEU 15 HG LEU 15 -8.338 -2.208 8.032
140 1HD1 LEU 15 HD11 LEU 15 -7.380 -0.020 8.679
141 2HD1 LEU 15 HD12 LEU 15 -9.128 -0.094 8.915
142 3HD1 LEU 15 HD13 LEU 15 -8.461 0.761 7.522
143 1HD2 LEU 15 HD21 LEU 15 -10.213 -2.356 6.870
144 2HD2 LEU 15 HD22 LEU 15 -9.472 -1.458 5.535
145 3HD2 LEU 15 HD23 LEU 15 -10.308 -0.593 6.833
146 H ARG 16 HN ARG 16 -7.031 -1.345 3.611
147 HA ARG 16 HA ARG 16 -4.430 -1.870 2.943
148 1HB ARG 16 HB2 ARG 16 -6.811 -1.357 1.244
149 2HB ARG 16 HB1 ARG 16 -5.262 -1.618 0.491
150 1HG ARG 16 HG2 ARG 16 -6.776 -3.514 2.265
151 2HG ARG 16 HG1 ARG 16 -6.450 -3.690 0.540
152 1HD ARG 16 HD2 ARG 16 -4.065 -3.876 0.996
153 2HD ARG 16 HD1 ARG 16 -4.366 -3.647 2.717
154 HE ARG 16 HE ARG 16 -5.045 -6.020 1.137
155 1HH1 ARG 16 1HH1 ARG 16 -4.827 -4.433 4.247
156 2HH1 ARG 16 2HH1 ARG 16 -5.011 -5.903 5.142
157 1HH2 ARG 16 1HH2 ARG 16 -5.289 -7.944 2.322
158 2HH2 ARG 16 2HH2 ARG 16 -5.274 -7.892 4.053
159 H ASN 17 HN ASN 17 -6.100 1.103 2.742
160 HA ASN 17 HA ASN 17 -4.530 2.543 0.988
161 1HB ASN 17 HB2 ASN 17 -6.592 3.033 2.905
162 2HB ASN 17 HB1 ASN 17 -5.437 4.306 2.943
163 1HD2 ASN 17 HD21 ASN 17 -7.594 5.276 2.234
164 2HD2 ASN 17 HD22 ASN 17 -7.781 5.452 0.535
165 HA PRO 18 HA PRO 18 -1.834 4.503 4.372
166 1HB PRO 18 HB2 PRO 18 -2.185 3.575 6.944
167 2HB PRO 18 HB1 PRO 18 -2.816 5.099 6.314
168 1HG PRO 18 HG2 PRO 18 -4.154 2.446 6.507
169 2HG PRO 18 HG1 PRO 18 -4.793 4.051 6.906
170 1HD PRO 18 HD2 PRO 18 -5.450 2.930 4.617
171 2HD PRO 18 HD1 PRO 18 -5.005 4.643 4.654
172 H ILE 19 HN ILE 19 -2.842 1.269 4.409
173 HA ILE 19 HA ILE 19 -0.443 0.215 5.557
174 HB ILE 19 HB ILE 19 -2.652 -1.157 4.063
175 1HG1 ILE 19 HG12 ILE 19 -1.991 -0.779 6.971
176 2HG1 ILE 19 HG11 ILE 19 -3.452 -0.304 6.135
177 1HG2 ILE 19 HG21 ILE 19 -1.720 -3.262 4.887
178 2HG2 ILE 19 HG22 ILE 19 -0.361 -2.386 5.589
179 3HG2 ILE 19 HG23 ILE 19 -0.575 -2.426 3.840
180 1HD1 ILE 19 HD11 ILE 19 -4.179 -2.563 5.957
181 2HD1 ILE 19 HD12 ILE 19 -3.705 -2.273 7.630
182 3HD1 ILE 19 HD13 ILE 19 -2.631 -3.164 6.551
183 H LEU 20 HN LEU 20 -1.557 0.807 2.318
184 HA LEU 20 HA LEU 20 0.538 -0.623 1.017
185 1HB LEU 20 HB2 LEU 20 -0.165 0.361 -1.009
186 2HB LEU 20 HB1 LEU 20 -1.613 0.013 -0.094
187 HG LEU 20 HG LEU 20 -0.825 2.684 0.488
188 1HD1 LEU 20 HD11 LEU 20 -1.372 3.417 -1.985
189 2HD1 LEU 20 HD12 LEU 20 -0.596 1.880 -2.362
190 3HD1 LEU 20 HD13 LEU 20 0.283 3.114 -1.461
191 1HD2 LEU 20 HD21 LEU 20 -3.114 1.732 -1.189
192 2HD2 LEU 20 HD22 LEU 20 -3.030 3.164 -0.160
193 3HD2 LEU 20 HD23 LEU 20 -3.044 1.553 0.563
194 H VAL 21 HN VAL 21 -0.068 2.578 2.149
195 HA VAL 21 HA VAL 21 2.138 3.973 1.245
196 HB VAL 21 HB VAL 21 0.389 3.974 3.636
197 1HG1 VAL 21 HG11 VAL 21 2.604 5.952 3.329
198 2HG1 VAL 21 HG12 VAL 21 2.781 4.448 4.239
199 3HG1 VAL 21 HG13 VAL 21 1.576 5.647 4.733
200 1HG2 VAL 21 HG21 VAL 21 -0.424 4.912 1.559
201 2HG2 VAL 21 HG22 VAL 21 0.945 6.031 1.506
202 3HG2 VAL 21 HG23 VAL 21 -0.261 6.170 2.789
203 H PHE 22 HN PHE 22 1.490 2.168 4.183
204 HA PHE 22 HA PHE 22 3.936 2.309 5.486
205 1HB PHE 22 HB2 PHE 22 2.438 1.366 6.870
206 2HB PHE 22 HB1 PHE 22 1.478 0.760 5.542
207 HD1 PHE 22 HD1 PHE 22 1.307 -1.388 5.224
208 HD2 PHE 22 HD2 PHE 22 4.690 0.181 7.164
209 HE1 PHE 22 HE1 PHE 22 2.135 -3.679 5.566
210 HE2 PHE 22 HE2 PHE 22 5.559 -2.081 7.542
211 HZ PHE 22 HZ PHE 22 4.281 -4.034 6.724
212 H LEU 23 HN LEU 23 2.817 0.434 2.816
213 HA LEU 23 HA LEU 23 5.187 -1.327 2.881
214 1HB LEU 23 HB2 LEU 23 2.960 -1.053 0.878
215 2HB LEU 23 HB1 LEU 23 4.355 -2.075 0.603
216 HG LEU 23 HG LEU 23 3.517 -2.986 3.027
217 1HD1 LEU 23 HD11 LEU 23 0.927 -2.930 1.716
218 2HD1 LEU 23 HD12 LEU 23 1.507 -1.329 2.193
219 3HD1 LEU 23 HD13 LEU 23 1.358 -2.613 3.400
220 1HD2 LEU 23 HD21 LEU 23 3.510 -3.854 0.288
221 2HD2 LEU 23 HD22 LEU 23 2.067 -4.451 1.109
222 3HD2 LEU 23 HD23 LEU 23 3.667 -4.813 1.760
223 H LYS 24 HN LYS 24 3.970 1.431 1.258
224 HA LYS 24 HA LYS 24 5.807 1.629 -0.830
225 1HB LYS 24 HB2 LYS 24 3.622 3.058 0.266
226 2HB LYS 24 HB1 LYS 24 4.903 4.198 -0.006
227 1HG LYS 24 HG2 LYS 24 4.217 4.249 -2.117
228 2HG LYS 24 HG1 LYS 24 4.864 2.613 -2.255
229 1HD LYS 24 HD2 LYS 24 2.540 2.012 -1.141
230 2HD LYS 24 HD1 LYS 24 2.065 3.515 -1.947
231 1HE LYS 24 HE2 LYS 24 2.625 2.674 -4.077
232 2HE LYS 24 HE1 LYS 24 3.531 1.326 -3.393
233 1HZ LYS 24 HZ1 LYS 24 0.683 1.600 -3.846
234 2HZ LYS 24 HZ2 LYS 24 1.110 0.880 -2.377
235 3HZ LYS 24 HZ3 LYS 24 1.650 0.212 -3.833
236 H THR 25 HN THR 25 5.718 2.927 2.390
237 HA THR 25 HA THR 25 8.103 4.407 2.260
238 HB THR 25 HB THR 25 6.607 4.977 4.004
239 HG1 THR 25 HG1 THR 25 7.970 4.994 5.635
240 1HG2 THR 25 HG21 THR 25 5.645 2.512 3.998
241 2HG2 THR 25 HG22 THR 25 5.446 3.599 5.374
242 3HG2 THR 25 HG23 THR 25 6.711 2.371 5.399
243 H ARG 26 HN ARG 26 7.270 1.146 3.379
244 HA ARG 26 HA ARG 26 9.847 0.395 4.255
245 1HB ARG 26 HB2 ARG 26 7.509 -1.139 3.148
246 2HB ARG 26 HB1 ARG 26 8.962 -1.944 3.731
247 1HG ARG 26 HG2 ARG 26 6.927 -0.395 5.283
248 2HG ARG 26 HG1 ARG 26 7.473 -2.047 5.522
249 1HD ARG 26 HD2 ARG 26 9.704 -1.138 6.146
250 2HD ARG 26 HD1 ARG 26 9.010 0.482 6.054
251 HE ARG 26 HE ARG 26 7.378 -0.473 7.803
252 1HH1 ARG 26 1HH1 ARG 26 10.771 -1.290 7.579
253 2HH1 ARG 26 2HH1 ARG 26 10.917 -1.650 9.265
254 1HH2 ARG 26 1HH2 ARG 26 7.580 -0.943 10.016
255 2HH2 ARG 26 2HH2 ARG 26 9.111 -1.452 10.647
256 H VAL 27 HN VAL 27 8.228 0.347 1.188
257 HA VAL 27 HA VAL 27 10.294 -0.981 -0.259
258 HB VAL 27 HB VAL 27 7.665 0.275 -0.781
259 1HG1 VAL 27 HG11 VAL 27 8.034 0.021 -3.253
260 2HG1 VAL 27 HG12 VAL 27 9.760 -0.031 -2.892
261 3HG1 VAL 27 HG13 VAL 27 8.812 1.393 -2.467
262 1HG2 VAL 27 HG21 VAL 27 7.977 -2.138 -0.304
263 2HG2 VAL 27 HG22 VAL 27 8.880 -2.280 -1.813
264 3HG2 VAL 27 HG23 VAL 27 7.177 -1.820 -1.843
265 H LEU 28 HN LEU 28 9.585 2.208 0.739
266 HA LEU 28 HA LEU 28 11.005 3.637 -1.248
267 1HB LEU 28 HB2 LEU 28 9.968 5.400 -0.307
268 2HB LEU 28 HB1 LEU 28 9.060 4.227 0.574
269 HG LEU 28 HG LEU 28 10.576 4.437 2.463
270 1HD1 LEU 28 HD11 LEU 28 12.629 5.206 2.113
271 2HD1 LEU 28 HD12 LEU 28 11.924 6.820 2.027
272 3HD1 LEU 28 HD13 LEU 28 12.182 5.891 0.550
273 1HD2 LEU 28 HD21 LEU 28 9.994 7.249 2.184
274 2HD2 LEU 28 HD22 LEU 28 9.273 6.049 3.256
275 3HD2 LEU 28 HD23 LEU 28 8.652 6.252 1.618
276 H LYS 29 HN LYS 29 11.405 2.784 2.086
277 HA LYS 29 HA LYS 29 14.069 3.697 2.295
278 1HB LYS 29 HB2 LYS 29 14.097 2.753 4.490
279 2HB LYS 29 HB1 LYS 29 12.506 3.455 4.246
280 1HG LYS 29 HG2 LYS 29 11.899 1.487 5.182
281 2HG LYS 29 HG1 LYS 29 11.932 0.988 3.495
282 1HD LYS 29 HD2 LYS 29 14.117 0.025 3.758
283 2HD LYS 29 HD1 LYS 29 14.257 0.688 5.387
284 1HE LYS 29 HE2 LYS 29 11.942 -0.737 5.568
285 2HE LYS 29 HE1 LYS 29 12.874 -1.717 4.436
286 1HZ LYS 29 HZ1 LYS 29 14.221 -0.777 6.855
287 2HZ LYS 29 HZ2 LYS 29 14.420 -2.223 6.002
288 3HZ LYS 29 HZ3 LYS 29 13.088 -2.022 7.023
289 H ARG 30 HN ARG 30 12.553 0.991 0.995
290 HA ARG 30 HA ARG 30 14.839 -0.745 1.148
291 1HB ARG 30 HB2 ARG 30 13.416 -2.356 0.386
292 2HB ARG 30 HB1 ARG 30 12.189 -1.238 0.881
293 1HG ARG 30 HG2 ARG 30 11.441 -1.073 -1.186
294 2HG ARG 30 HG1 ARG 30 13.024 -0.669 -1.800
295 1HD ARG 30 HD2 ARG 30 13.570 -2.891 -2.220
296 2HD ARG 30 HD1 ARG 30 12.320 -3.495 -1.136
297 HE ARG 30 HE ARG 30 11.796 -2.284 -3.773
298 1HH1 ARG 30 1HH1 ARG 30 10.947 -4.522 -1.219
299 2HH1 ARG 30 2HH1 ARG 30 9.603 -5.182 -2.086
300 1HH2 ARG 30 1HH2 ARG 30 10.030 -3.158 -4.899
301 2HH2 ARG 30 2HH2 ARG 30 9.082 -4.411 -4.169
302 H TRP 31 HN TRP 31 13.201 1.457 -0.905
303 HA TRP 31 HA TRP 31 14.574 1.123 -3.302
304 1HB TRP 31 HB2 TRP 31 12.441 2.587 -2.238
305 2HB TRP 31 HB1 TRP 31 13.548 3.741 -2.866
306 HD1 TRP 31 HD1 TRP 31 11.221 1.142 -3.886
307 HE1 TRP 31 HE1 TRP 31 11.072 1.080 -6.447
308 HE3 TRP 31 HE3 TRP 31 14.971 4.108 -4.699
309 HZ2 TRP 31 HZ2 TRP 31 12.504 2.258 -8.594
310 HZ3 TRP 31 HZ3 TRP 31 15.668 4.704 -7.044
311 HH2 TRP 31 HH2 TRP 31 14.436 3.772 -8.962
312 H ARG 32 HN ARG 32 14.821 3.231 -0.449
313 HA ARG 32 HA ARG 32 16.968 4.851 -1.219
314 1HB ARG 32 HB2 ARG 32 16.089 3.674 1.387
315 2HB ARG 32 HB1 ARG 32 17.224 5.023 1.260
316 1HG ARG 32 HG2 ARG 32 14.456 5.142 0.102
317 2HG ARG 32 HG1 ARG 32 14.797 5.577 1.757
318 1HD ARG 32 HD2 ARG 32 16.168 6.729 -0.634
319 2HD ARG 32 HD1 ARG 32 14.762 7.464 0.130
320 HE ARG 32 HE ARG 32 16.624 7.126 2.137
321 1HH1 ARG 32 1HH1 ARG 32 16.463 8.846 -0.896
322 2HH1 ARG 32 2HH1 ARG 32 17.536 10.104 -0.382
323 1HH2 ARG 32 1HH2 ARG 32 18.035 8.779 2.815
324 2HH2 ARG 32 2HH2 ARG 32 18.429 10.065 1.724
325 H LEU 33 HN LEU 33 16.707 1.866 0.513
326 HA LEU 33 HA LEU 33 19.352 1.227 1.021
327 1HB LEU 33 HB2 LEU 33 16.677 -0.040 0.876
328 2HB LEU 33 HB1 LEU 33 18.042 -1.064 1.071
329 HG LEU 33 HG LEU 33 16.602 0.160 3.022
330 1HD1 LEU 33 HD11 LEU 33 19.393 -0.571 3.694
331 2HD1 LEU 33 HD12 LEU 33 18.382 -1.815 2.961
332 3HD1 LEU 33 HD13 LEU 33 17.883 -1.049 4.469
333 1HD2 LEU 33 HD21 LEU 33 17.780 2.253 2.300
334 2HD2 LEU 33 HD22 LEU 33 19.246 1.550 2.984
335 3HD2 LEU 33 HD23 LEU 33 17.854 1.868 4.022
336 H PHE 34 HN PHE 34 17.118 0.483 -1.457
337 HA PHE 34 HA PHE 34 18.789 -1.335 -2.891
338 1HB PHE 34 HB2 PHE 34 16.118 -0.278 -3.101
339 2HB PHE 34 HB1 PHE 34 16.860 -0.568 -4.647
340 HD1 PHE 34 HD1 PHE 34 15.693 -2.468 -5.359
341 HD2 PHE 34 HD2 PHE 34 17.481 -2.265 -1.532
342 HE1 PHE 34 HE1 PHE 34 15.308 -4.863 -5.073
343 HE2 PHE 34 HE2 PHE 34 17.111 -4.662 -1.218
344 HZ PHE 34 HZ PHE 34 16.011 -5.995 -2.989
345 H SER 35 HN SER 35 18.326 1.932 -2.611
346 HA SER 35 HA SER 35 19.671 2.544 -5.181
347 1HB SER 35 HB2 SER 35 17.728 3.978 -3.756
348 2HB SER 35 HB1 SER 35 19.216 4.895 -3.550
349 HG SER 35 HG SER 35 19.440 4.902 -5.814
350 H LYS 36 HN LYS 36 20.252 2.530 -1.738
351 HA LYS 36 HA LYS 36 22.758 3.939 -2.006
352 1HB LYS 36 HB2 LYS 36 22.777 4.097 0.263
353 2HB LYS 36 HB1 LYS 36 21.064 3.802 0.030
354 1HG LYS 36 HG2 LYS 36 21.271 1.534 0.684
355 2HG LYS 36 HG1 LYS 36 23.033 1.610 0.627
356 1HD LYS 36 HD2 LYS 36 22.130 1.689 2.931
357 2HD LYS 36 HD1 LYS 36 23.080 3.114 2.507
358 1HE LYS 36 HE2 LYS 36 20.293 3.486 1.844
359 2HE LYS 36 HE1 LYS 36 20.489 3.056 3.543
360 1HZ LYS 36 HZ1 LYS 36 20.718 5.539 2.599
361 2HZ LYS 36 HZ2 LYS 36 22.338 5.053 2.544
362 3HZ LYS 36 HZ3 LYS 36 21.488 4.998 4.006
363 H HIS 37 HN HIS 37 21.672 0.705 -2.037
364 HA HIS 37 HA HIS 37 24.204 -0.503 -1.460
365 1HB HIS 37 HB2 HIS 37 21.479 -1.377 -1.908
366 2HB HIS 37 HB1 HIS 37 22.621 -2.385 -2.769
367 HD1 HIS 37 HD1 HIS 37 23.229 -4.362 -1.425
368 HD2 HIS 37 HD2 HIS 37 22.589 -1.017 0.955
369 HE1 HIS 37 HE1 HIS 37 23.632 -5.129 0.936
370 HE2 HIS 37 HE2 HIS 37 23.141 -3.114 2.365
371 H GLU 38 HN GLU 38 22.225 -0.158 -4.393
372 HA GLU 38 HA GLU 38 24.484 -0.981 -6.030
373 1HB GLU 38 HB2 GLU 38 21.552 -0.785 -6.385
374 2HB GLU 38 HB1 GLU 38 22.525 -0.467 -7.811
375 1HG GLU 38 HG2 GLU 38 23.567 -2.630 -7.641
376 2HG GLU 38 HG1 GLU 38 22.730 -2.944 -6.120
Start of MODEL 16
1 1H VAL 1 HT1 VAL 1 -29.215 3.920 2.856
2 2H VAL 1 HT2 VAL 1 -30.514 3.349 1.890
3 3H VAL 1 HT3 VAL 1 -29.279 4.313 1.189
4 HA VAL 1 HA VAL 1 -29.403 1.650 1.145
5 HB VAL 1 HB VAL 1 -26.958 1.790 0.532
6 1HG1 VAL 1 HG11 VAL 1 -28.963 2.205 -1.000
7 2HG1 VAL 1 HG12 VAL 1 -27.390 2.791 -1.540
8 3HG1 VAL 1 HG13 VAL 1 -28.562 3.916 -0.854
9 1HG2 VAL 1 HG21 VAL 1 -27.133 4.747 0.591
10 2HG2 VAL 1 HG22 VAL 1 -25.732 3.689 0.759
11 3HG2 VAL 1 HG23 VAL 1 -26.826 3.928 2.122
12 H MET 2 HN MET 2 -28.584 -0.087 2.219
13 HA MET 2 HA MET 2 -28.030 0.166 4.968
14 1HB MET 2 HB2 MET 2 -28.309 -1.986 2.981
15 2HB MET 2 HB1 MET 2 -27.254 -2.355 4.323
16 1HG MET 2 HG2 MET 2 -29.102 -1.673 5.860
17 2HG MET 2 HG1 MET 2 -30.136 -1.556 4.436
18 1HE MET 2 HE1 MET 2 -31.775 -4.821 5.067
19 2HE MET 2 HE2 MET 2 -31.832 -3.218 4.336
20 3HE MET 2 HE3 MET 2 -31.674 -3.386 6.086
21 HA PRO 3 HA PRO 3 -23.595 0.403 4.778
22 1HB PRO 3 HB2 PRO 3 -23.015 0.088 7.323
23 2HB PRO 3 HB1 PRO 3 -24.220 1.304 6.900
24 1HG PRO 3 HG2 PRO 3 -24.655 -1.519 7.807
25 2HG PRO 3 HG1 PRO 3 -25.355 -0.027 8.479
26 1HD PRO 3 HD2 PRO 3 -26.616 -1.605 6.594
27 2HD PRO 3 HD1 PRO 3 -26.924 0.132 6.798
28 H LYS 4 HN LYS 4 -21.927 -1.263 6.531
29 HA LYS 4 HA LYS 4 -20.889 -3.270 6.644
30 1HB LYS 4 HB2 LYS 4 -23.343 -4.029 6.962
31 2HB LYS 4 HB1 LYS 4 -23.226 -4.582 5.298
32 1HG LYS 4 HG2 LYS 4 -21.083 -5.796 6.132
33 2HG LYS 4 HG1 LYS 4 -21.806 -5.575 7.727
34 1HD LYS 4 HD2 LYS 4 -23.932 -6.529 6.383
35 2HD LYS 4 HD1 LYS 4 -22.630 -7.318 5.490
36 1HE LYS 4 HE2 LYS 4 -21.719 -8.118 7.668
37 2HE LYS 4 HE1 LYS 4 -23.155 -7.463 8.454
38 1HZ LYS 4 HZ1 LYS 4 -24.368 -8.925 6.694
39 2HZ LYS 4 HZ2 LYS 4 -23.773 -9.623 8.115
40 3HZ LYS 4 HZ3 LYS 4 -22.907 -9.780 6.670
41 H GLN 5 HN GLN 5 -22.357 -2.304 3.614
42 HA GLN 5 HA GLN 5 -20.440 -3.907 2.137
43 1HB GLN 5 HB2 GLN 5 -22.128 -4.040 0.650
44 2HB GLN 5 HB1 GLN 5 -23.083 -2.978 1.664
45 1HG GLN 5 HG2 GLN 5 -23.108 -1.882 -0.323
46 2HG GLN 5 HG1 GLN 5 -21.791 -1.072 0.482
47 1HE2 GLN 5 HE21 GLN 5 -19.944 -3.244 0.001
48 2HE2 GLN 5 HE22 GLN 5 -19.627 -3.219 -1.677
49 H ILE 6 HN ILE 6 -21.116 -0.697 3.133
50 HA ILE 6 HA ILE 6 -19.113 0.475 1.445
51 HB ILE 6 HB ILE 6 -19.638 2.512 2.961
52 1HG1 ILE 6 HG12 ILE 6 -21.907 2.594 3.810
53 2HG1 ILE 6 HG11 ILE 6 -22.190 0.936 3.349
54 1HG2 ILE 6 HG21 ILE 6 -21.412 3.139 1.423
55 2HG2 ILE 6 HG22 ILE 6 -21.589 1.446 0.955
56 3HG2 ILE 6 HG23 ILE 6 -20.091 2.308 0.597
57 1HD1 ILE 6 HD11 ILE 6 -21.481 1.737 5.813
58 2HD1 ILE 6 HD12 ILE 6 -19.892 1.398 5.127
59 3HD1 ILE 6 HD13 ILE 6 -21.125 0.136 5.169
60 H VAL 7 HN VAL 7 -19.548 -0.783 4.635
61 HA VAL 7 HA VAL 7 -17.227 0.372 5.838
62 HB VAL 7 HB VAL 7 -19.432 -0.653 6.914
63 1HG1 VAL 7 HG11 VAL 7 -17.574 -3.029 6.929
64 2HG1 VAL 7 HG12 VAL 7 -19.087 -2.913 6.033
65 3HG1 VAL 7 HG13 VAL 7 -19.103 -2.893 7.796
66 1HG2 VAL 7 HG21 VAL 7 -18.329 -0.712 8.988
67 2HG2 VAL 7 HG22 VAL 7 -17.489 0.476 7.994
68 3HG2 VAL 7 HG23 VAL 7 -16.789 -1.123 8.235
69 H TYR 8 HN TYR 8 -18.227 -2.571 4.299
70 HA TYR 8 HA TYR 8 -15.915 -4.169 4.555
71 1HB TYR 8 HB2 TYR 8 -18.397 -4.370 3.290
72 2HB TYR 8 HB1 TYR 8 -17.227 -4.418 1.976
73 HD1 TYR 8 HD1 TYR 8 -17.038 -6.650 1.340
74 HD2 TYR 8 HD2 TYR 8 -17.002 -5.637 5.452
75 HE1 TYR 8 HE1 TYR 8 -16.453 -8.920 1.892
76 HE2 TYR 8 HE2 TYR 8 -16.418 -7.852 6.018
77 HH TYR 8 HH TYR 8 -16.816 -10.297 4.727
78 H TRP 9 HN TRP 9 -17.134 -1.925 2.139
79 HA TRP 9 HA TRP 9 -14.988 -1.930 0.315
80 1HB TRP 9 HB2 TRP 9 -17.275 -0.182 1.002
81 2HB TRP 9 HB1 TRP 9 -15.896 0.660 0.296
82 HD1 TRP 9 HD1 TRP 9 -18.909 -1.045 -0.706
83 HE1 TRP 9 HE1 TRP 9 -18.729 -1.638 -3.233
84 HE3 TRP 9 HE3 TRP 9 -14.049 -0.260 -1.318
85 HZ2 TRP 9 HZ2 TRP 9 -16.758 -1.744 -5.208
86 HZ3 TRP 9 HZ3 TRP 9 -13.019 -0.602 -3.536
87 HH2 TRP 9 HH2 TRP 9 -14.382 -1.339 -5.441
88 H LYS 10 HN LYS 10 -15.908 0.395 2.657
89 HA LYS 10 HA LYS 10 -13.693 1.997 2.828
90 1HB LYS 10 HB2 LYS 10 -15.726 2.620 3.914
91 2HB LYS 10 HB1 LYS 10 -15.704 1.176 4.914
92 1HG LYS 10 HG2 LYS 10 -13.331 2.415 5.522
93 2HG LYS 10 HG1 LYS 10 -14.465 3.751 5.338
94 1HD LYS 10 HD2 LYS 10 -15.527 1.484 6.852
95 2HD LYS 10 HD1 LYS 10 -14.132 2.256 7.608
96 1HE LYS 10 HE2 LYS 10 -16.374 3.930 6.564
97 2HE LYS 10 HE1 LYS 10 -16.541 3.117 8.118
98 1HZ LYS 10 HZ1 LYS 10 -14.810 5.337 7.359
99 2HZ LYS 10 HZ2 LYS 10 -14.174 4.219 8.457
100 3HZ LYS 10 HZ3 LYS 10 -15.609 5.038 8.821
101 H GLN 11 HN GLN 11 -14.390 -0.868 4.831
102 HA GLN 11 HA GLN 11 -11.868 -0.726 6.159
103 1HB GLN 11 HB2 GLN 11 -12.463 -2.690 7.280
104 2HB GLN 11 HB1 GLN 11 -13.989 -1.872 7.033
105 1HG GLN 11 HG2 GLN 11 -14.634 -3.359 5.344
106 2HG GLN 11 HG1 GLN 11 -13.004 -3.978 5.141
107 1HE2 GLN 11 HE21 GLN 11 -13.180 -3.847 8.391
108 2HE2 GLN 11 HE22 GLN 11 -13.863 -5.396 8.714
109 H TRP 12 HN TRP 12 -12.439 -1.293 3.095
110 HA TRP 12 HA TRP 12 -10.277 -3.266 2.783
111 1HB TRP 12 HB2 TRP 12 -12.586 -3.690 1.767
112 2HB TRP 12 HB1 TRP 12 -12.237 -2.428 0.649
113 HD1 TRP 12 HD1 TRP 12 -11.688 -5.983 1.212
114 HE1 TRP 12 HE1 TRP 12 -10.054 -6.894 -0.536
115 HE3 TRP 12 HE3 TRP 12 -10.234 -1.631 -0.617
116 HZ2 TRP 12 HZ2 TRP 12 -8.347 -5.831 -2.519
117 HZ3 TRP 12 HZ3 TRP 12 -8.576 -1.540 -2.483
118 HH2 TRP 12 HH2 TRP 12 -7.646 -3.652 -3.416
119 H LEU 13 HN LEU 13 -11.432 -0.047 1.771
120 HA LEU 13 HA LEU 13 -8.882 0.352 0.387
121 1HB LEU 13 HB2 LEU 13 -11.360 2.088 0.482
122 2HB LEU 13 HB1 LEU 13 -9.905 2.458 -0.423
123 HG LEU 13 HG LEU 13 -11.535 -0.019 -0.930
124 1HD1 LEU 13 HD11 LEU 13 -11.705 2.556 -2.477
125 2HD1 LEU 13 HD12 LEU 13 -12.848 2.117 -1.207
126 3HD1 LEU 13 HD13 LEU 13 -12.704 1.115 -2.650
127 1HD2 LEU 13 HD21 LEU 13 -9.890 1.349 -2.982
128 2HD2 LEU 13 HD22 LEU 13 -10.197 -0.370 -2.735
129 3HD2 LEU 13 HD23 LEU 13 -9.039 0.475 -1.709
130 H SER 14 HN SER 14 -10.217 0.793 3.418
131 HA SER 14 HA SER 14 -8.810 3.270 3.950
132 1HB SER 14 HB2 SER 14 -11.066 2.206 5.076
133 2HB SER 14 HB1 SER 14 -9.847 1.758 6.259
134 HG SER 14 HG SER 14 -9.562 3.804 6.765
135 H LEU 15 HN LEU 15 -8.667 -0.118 4.807
136 HA LEU 15 HA LEU 15 -6.195 0.204 6.210
137 1HB LEU 15 HB2 LEU 15 -7.694 -2.301 5.470
138 2HB LEU 15 HB1 LEU 15 -6.406 -2.153 6.648
139 HG LEU 15 HG LEU 15 -8.267 -2.178 8.009
140 1HD1 LEU 15 HD11 LEU 15 -8.650 0.071 8.826
141 2HD1 LEU 15 HD12 LEU 15 -8.013 0.744 7.322
142 3HD1 LEU 15 HD13 LEU 15 -6.943 -0.126 8.424
143 1HD2 LEU 15 HD21 LEU 15 -10.243 -2.101 7.023
144 2HD2 LEU 15 HD22 LEU 15 -9.511 -1.376 5.583
145 3HD2 LEU 15 HD23 LEU 15 -10.087 -0.347 6.902
146 H ARG 16 HN ARG 16 -7.261 -1.754 3.467
147 HA ARG 16 HA ARG 16 -4.820 -2.652 2.593
148 1HB ARG 16 HB2 ARG 16 -7.299 -1.928 1.115
149 2HB ARG 16 HB1 ARG 16 -5.888 -2.429 0.222
150 1HG ARG 16 HG2 ARG 16 -7.465 -4.005 2.230
151 2HG ARG 16 HG1 ARG 16 -7.250 -4.340 0.510
152 1HD ARG 16 HD2 ARG 16 -4.700 -4.387 1.224
153 2HD ARG 16 HD1 ARG 16 -5.400 -4.792 2.788
154 HE ARG 16 HE ARG 16 -5.804 -6.353 0.318
155 1HH1 ARG 16 1HH1 ARG 16 -5.587 -6.168 3.806
156 2HH1 ARG 16 2HH1 ARG 16 -5.727 -7.878 4.022
157 1HH2 ARG 16 1HH2 ARG 16 -5.988 -8.597 0.617
158 2HH2 ARG 16 2HH2 ARG 16 -5.954 -9.254 2.219
159 H ASN 17 HN ASN 17 -6.107 0.497 2.348
160 HA ASN 17 HA ASN 17 -4.506 1.563 0.329
161 1HB ASN 17 HB2 ASN 17 -6.392 2.469 2.290
162 2HB ASN 17 HB1 ASN 17 -5.108 3.603 2.115
163 1HD2 ASN 17 HD21 ASN 17 -7.112 4.792 1.405
164 2HD2 ASN 17 HD22 ASN 17 -7.434 4.771 -0.283
165 HA PRO 18 HA PRO 18 -1.627 3.527 3.604
166 1HB PRO 18 HB2 PRO 18 -1.971 2.618 6.189
167 2HB PRO 18 HB1 PRO 18 -2.527 4.173 5.563
168 1HG PRO 18 HG2 PRO 18 -4.009 1.603 5.804
169 2HG PRO 18 HG1 PRO 18 -4.553 3.249 6.180
170 1HD PRO 18 HD2 PRO 18 -5.293 2.114 3.918
171 2HD PRO 18 HD1 PRO 18 -4.775 3.807 3.924
172 H ILE 19 HN ILE 19 -2.775 0.339 3.716
173 HA ILE 19 HA ILE 19 -0.433 -0.848 4.842
174 HB ILE 19 HB ILE 19 -2.728 -2.099 3.353
175 1HG1 ILE 19 HG12 ILE 19 -2.019 -1.771 6.262
176 2HG1 ILE 19 HG11 ILE 19 -3.449 -1.195 5.439
177 1HG2 ILE 19 HG21 ILE 19 -1.324 -3.963 5.004
178 2HG2 ILE 19 HG22 ILE 19 -0.181 -3.218 3.890
179 3HG2 ILE 19 HG23 ILE 19 -1.617 -4.027 3.267
180 1HD1 ILE 19 HD11 ILE 19 -3.777 -3.800 5.019
181 2HD1 ILE 19 HD12 ILE 19 -4.360 -2.983 6.469
182 3HD1 ILE 19 HD13 ILE 19 -2.837 -3.873 6.509
183 H LEU 20 HN LEU 20 -1.552 -0.317 1.602
184 HA LEU 20 HA LEU 20 0.543 -1.806 0.354
185 1HB LEU 20 HB2 LEU 20 -0.234 -0.987 -1.718
186 2HB LEU 20 HB1 LEU 20 -1.649 -1.310 -0.745
187 HG LEU 20 HG LEU 20 -0.898 1.424 -0.398
188 1HD1 LEU 20 HD11 LEU 20 0.099 0.829 -2.739
189 2HD1 LEU 20 HD12 LEU 20 -0.843 2.305 -2.526
190 3HD1 LEU 20 HD13 LEU 20 -1.589 0.878 -3.247
191 1HD2 LEU 20 HD21 LEU 20 -3.257 0.181 -1.781
192 2HD2 LEU 20 HD22 LEU 20 -3.160 1.806 -1.099
193 3HD2 LEU 20 HD23 LEU 20 -3.091 0.397 -0.041
194 H VAL 21 HN VAL 21 -0.120 1.448 1.290
195 HA VAL 21 HA VAL 21 2.062 2.807 0.229
196 HB VAL 21 HB VAL 21 0.327 3.001 2.616
197 1HG1 VAL 21 HG11 VAL 21 1.441 4.887 3.456
198 2HG1 VAL 21 HG12 VAL 21 2.492 4.975 2.038
199 3HG1 VAL 21 HG13 VAL 21 2.654 3.632 3.176
200 1HG2 VAL 21 HG21 VAL 21 0.747 4.829 0.261
201 2HG2 VAL 21 HG22 VAL 21 -0.437 5.064 1.549
202 3HG2 VAL 21 HG23 VAL 21 -0.570 3.672 0.468
203 H PHE 22 HN PHE 22 1.392 1.315 3.342
204 HA PHE 22 HA PHE 22 3.753 1.649 4.706
205 1HB PHE 22 HB2 PHE 22 2.268 0.715 6.095
206 2HB PHE 22 HB1 PHE 22 1.391 -0.030 4.778
207 HD1 PHE 22 HD1 PHE 22 1.327 -2.190 4.635
208 HD2 PHE 22 HD2 PHE 22 4.577 -0.326 6.529
209 HE1 PHE 22 HE1 PHE 22 2.240 -4.412 5.179
210 HE2 PHE 22 HE2 PHE 22 5.534 -2.509 7.109
211 HZ PHE 22 HZ PHE 22 4.367 -4.580 6.419
212 H LEU 23 HN LEU 23 2.865 -0.510 2.141
213 HA LEU 23 HA LEU 23 5.348 -2.091 2.443
214 1HB LEU 23 HB2 LEU 23 3.237 -2.082 0.297
215 2HB LEU 23 HB1 LEU 23 4.692 -3.055 0.197
216 HG LEU 23 HG LEU 23 3.659 -3.754 2.655
217 1HD1 LEU 23 HD11 LEU 23 1.417 -3.681 2.654
218 2HD1 LEU 23 HD12 LEU 23 1.305 -3.995 0.918
219 3HD1 LEU 23 HD13 LEU 23 1.678 -2.365 1.502
220 1HD2 LEU 23 HD21 LEU 23 4.380 -5.556 1.482
221 2HD2 LEU 23 HD22 LEU 23 3.794 -4.923 -0.055
222 3HD2 LEU 23 HD23 LEU 23 2.672 -5.691 1.068
223 H LYS 24 HN LYS 24 4.055 0.437 0.525
224 HA LYS 24 HA LYS 24 6.037 0.619 -1.433
225 1HB LYS 24 HB2 LYS 24 3.670 1.951 -0.614
226 2HB LYS 24 HB1 LYS 24 4.877 3.158 -0.911
227 1HG LYS 24 HG2 LYS 24 4.394 2.961 -3.069
228 2HG LYS 24 HG1 LYS 24 5.073 1.332 -2.997
229 1HD LYS 24 HD2 LYS 24 3.049 0.580 -3.527
230 2HD LYS 24 HD1 LYS 24 2.573 1.035 -1.883
231 1HE LYS 24 HE2 LYS 24 1.145 2.515 -2.744
232 2HE LYS 24 HE1 LYS 24 2.499 3.385 -3.461
233 1HZ LYS 24 HZ1 LYS 24 2.269 1.537 -5.271
234 2HZ LYS 24 HZ2 LYS 24 1.273 2.903 -5.306
235 3HZ LYS 24 HZ3 LYS 24 0.682 1.443 -4.693
236 H THR 25 HN THR 25 5.593 2.144 1.650
237 HA THR 25 HA THR 25 7.814 3.848 1.566
238 HB THR 25 HB THR 25 6.093 4.390 3.101
239 HG1 THR 25 HG1 THR 25 7.208 4.536 4.999
240 1HG2 THR 25 HG21 THR 25 5.183 2.071 3.279
241 2HG2 THR 25 HG22 THR 25 5.223 2.982 4.791
242 3HG2 THR 25 HG23 THR 25 6.439 1.747 4.472
243 H ARG 26 HN ARG 26 7.217 0.614 2.893
244 HA ARG 26 HA ARG 26 9.753 0.262 4.084
245 1HB ARG 26 HB2 ARG 26 7.746 -1.640 2.901
246 2HB ARG 26 HB1 ARG 26 9.215 -2.206 3.690
247 1HG ARG 26 HG2 ARG 26 6.846 -0.829 4.889
248 2HG ARG 26 HG1 ARG 26 7.577 -2.359 5.337
249 1HD ARG 26 HD2 ARG 26 9.554 -1.148 6.156
250 2HD ARG 26 HD1 ARG 26 8.773 0.375 5.733
251 HE ARG 26 HE ARG 26 8.107 -1.375 7.963
252 1HH1 ARG 26 1HH1 ARG 26 7.314 1.463 6.091
253 2HH1 ARG 26 2HH1 ARG 26 6.246 2.108 7.289
254 1HH2 ARG 26 1HH2 ARG 26 6.701 -0.522 9.540
255 2HH2 ARG 26 2HH2 ARG 26 5.900 0.984 9.246
256 H VAL 27 HN VAL 27 8.486 -0.270 0.894
257 HA VAL 27 HA VAL 27 10.870 -1.373 -0.222
258 HB VAL 27 HB VAL 27 8.153 -0.582 -1.098
259 1HG1 VAL 27 HG11 VAL 27 9.305 0.550 -2.776
260 2HG1 VAL 27 HG12 VAL 27 8.806 -0.984 -3.489
261 3HG1 VAL 27 HG13 VAL 27 10.477 -0.749 -2.974
262 1HG2 VAL 27 HG21 VAL 27 8.379 -2.829 -0.487
263 2HG2 VAL 27 HG22 VAL 27 9.899 -3.007 -1.365
264 3HG2 VAL 27 HG23 VAL 27 8.383 -2.845 -2.251
265 H LEU 28 HN LEU 28 9.610 1.752 0.386
266 HA LEU 28 HA LEU 28 11.024 3.190 -1.600
267 1HB LEU 28 HB2 LEU 28 9.676 4.867 -0.961
268 2HB LEU 28 HB1 LEU 28 8.823 3.659 -0.071
269 HG LEU 28 HG LEU 28 10.051 4.248 1.946
270 1HD1 LEU 28 HD11 LEU 28 11.129 6.739 1.448
271 2HD1 LEU 28 HD12 LEU 28 11.661 5.766 0.075
272 3HD1 LEU 28 HD13 LEU 28 12.019 5.242 1.718
273 1HD2 LEU 28 HD21 LEU 28 8.074 5.771 0.641
274 2HD2 LEU 28 HD22 LEU 28 9.172 6.914 1.410
275 3HD2 LEU 28 HD23 LEU 28 8.393 5.659 2.371
276 H LYS 29 HN LYS 29 11.174 2.681 1.822
277 HA LYS 29 HA LYS 29 13.641 4.000 2.218
278 1HB LYS 29 HB2 LYS 29 13.556 3.239 4.477
279 2HB LYS 29 HB1 LYS 29 11.914 3.657 4.015
280 1HG LYS 29 HG2 LYS 29 11.183 1.516 4.137
281 2HG LYS 29 HG1 LYS 29 12.739 0.834 3.663
282 1HD LYS 29 HD2 LYS 29 13.159 2.127 6.126
283 2HD LYS 29 HD1 LYS 29 11.654 1.220 6.289
284 1HE LYS 29 HE2 LYS 29 13.648 -0.087 6.941
285 2HE LYS 29 HE1 LYS 29 12.750 -0.814 5.609
286 1HZ LYS 29 HZ1 LYS 29 14.648 -0.846 4.491
287 2HZ LYS 29 HZ2 LYS 29 15.450 0.045 5.683
288 3HZ LYS 29 HZ3 LYS 29 14.623 0.845 4.444
289 H ARG 30 HN ARG 30 12.687 1.008 1.035
290 HA ARG 30 HA ARG 30 15.174 -0.340 1.560
291 1HB ARG 30 HB2 ARG 30 14.081 -2.204 0.823
292 2HB ARG 30 HB1 ARG 30 12.660 -1.252 1.094
293 1HG ARG 30 HG2 ARG 30 12.141 -1.280 -1.059
294 2HG ARG 30 HG1 ARG 30 13.757 -0.834 -1.543
295 1HD ARG 30 HD2 ARG 30 13.116 -3.007 -2.453
296 2HD ARG 30 HD1 ARG 30 14.470 -3.157 -1.333
297 HE ARG 30 HE ARG 30 12.512 -3.690 0.318
298 1HH1 ARG 30 1HH1 ARG 30 12.852 -4.761 -2.991
299 2HH1 ARG 30 2HH1 ARG 30 11.937 -6.208 -2.742
300 1HH2 ARG 30 1HH2 ARG 30 11.312 -5.591 0.638
301 2HH2 ARG 30 2HH2 ARG 30 11.063 -6.681 -0.685
302 H TRP 31 HN TRP 31 13.466 1.445 -0.807
303 HA TRP 31 HA TRP 31 15.133 1.151 -3.014
304 1HB TRP 31 HB2 TRP 31 12.706 2.342 -2.312
305 2HB TRP 31 HB1 TRP 31 13.698 3.602 -2.926
306 HD1 TRP 31 HD1 TRP 31 11.903 0.608 -3.938
307 HE1 TRP 31 HE1 TRP 31 12.063 0.331 -6.485
308 HE3 TRP 31 HE3 TRP 31 15.256 4.044 -4.630
309 HZ2 TRP 31 HZ2 TRP 31 13.551 1.547 -8.570
310 HZ3 TRP 31 HZ3 TRP 31 16.127 4.559 -6.933
311 HH2 TRP 31 HH2 TRP 31 15.275 3.308 -8.874
312 H ARG 32 HN ARG 32 14.776 3.490 -0.321
313 HA ARG 32 HA ARG 32 16.762 5.331 -1.054
314 1HB ARG 32 HB2 ARG 32 15.813 4.231 1.556
315 2HB ARG 32 HB1 ARG 32 16.837 5.667 1.434
316 1HG ARG 32 HG2 ARG 32 15.089 6.792 0.171
317 2HG ARG 32 HG1 ARG 32 14.079 5.364 0.267
318 1HD ARG 32 HD2 ARG 32 13.493 5.741 2.379
319 2HD ARG 32 HD1 ARG 32 15.088 6.314 2.838
320 HE ARG 32 HE ARG 32 12.868 7.909 1.856
321 1HH1 ARG 32 1HH1 ARG 32 16.272 7.780 2.636
322 2HH1 ARG 32 2HH1 ARG 32 16.427 9.498 2.783
323 1HH2 ARG 32 1HH2 ARG 32 13.079 10.166 2.048
324 2HH2 ARG 32 2HH2 ARG 32 14.618 10.852 2.448
325 H LEU 33 HN LEU 33 16.745 2.476 0.888
326 HA LEU 33 HA LEU 33 19.375 2.228 1.677
327 1HB LEU 33 HB2 LEU 33 16.923 0.592 1.351
328 2HB LEU 33 HB1 LEU 33 18.385 -0.218 1.744
329 HG LEU 33 HG LEU 33 16.591 0.890 3.460
330 1HD1 LEU 33 HD11 LEU 33 18.614 -0.825 3.698
331 2HD1 LEU 33 HD12 LEU 33 17.847 -0.074 5.098
332 3HD1 LEU 33 HD13 LEU 33 19.358 0.579 4.463
333 1HD2 LEU 33 HD21 LEU 33 17.486 2.800 4.467
334 2HD2 LEU 33 HD22 LEU 33 17.576 3.084 2.725
335 3HD2 LEU 33 HD23 LEU 33 19.022 2.615 3.617
336 H PHE 34 HN PHE 34 17.535 1.046 -0.948
337 HA PHE 34 HA PHE 34 19.618 -0.555 -2.097
338 1HB PHE 34 HB2 PHE 34 16.829 -0.025 -2.581
339 2HB PHE 34 HB1 PHE 34 17.742 -0.260 -4.044
340 HD1 PHE 34 HD1 PHE 34 18.376 -1.620 -0.773
341 HD2 PHE 34 HD2 PHE 34 17.028 -2.387 -4.705
342 HE1 PHE 34 HE1 PHE 34 18.438 -4.024 -0.311
343 HE2 PHE 34 HE2 PHE 34 17.069 -4.791 -4.273
344 HZ PHE 34 HZ PHE 34 17.777 -5.643 -2.061
345 H SER 35 HN SER 35 18.594 2.592 -2.109
346 HA SER 35 HA SER 35 20.057 3.237 -4.608
347 1HB SER 35 HB2 SER 35 17.732 4.387 -3.493
348 2HB SER 35 HB1 SER 35 19.001 5.594 -3.345
349 HG SER 35 HG SER 35 17.915 5.706 -5.358
350 H LYS 36 HN LYS 36 20.350 3.462 -1.157
351 HA LYS 36 HA LYS 36 22.521 5.385 -1.366
352 1HB LYS 36 HB2 LYS 36 22.342 5.684 0.903
353 2HB LYS 36 HB1 LYS 36 20.707 5.210 0.496
354 1HG LYS 36 HG2 LYS 36 21.127 3.992 2.395
355 2HG LYS 36 HG1 LYS 36 21.479 2.832 1.116
356 1HD LYS 36 HD2 LYS 36 23.857 4.284 1.642
357 2HD LYS 36 HD1 LYS 36 23.183 3.775 3.193
358 1HE LYS 36 HE2 LYS 36 23.485 1.573 2.756
359 2HE LYS 36 HE1 LYS 36 23.197 1.771 1.028
360 1HZ LYS 36 HZ1 LYS 36 25.687 2.433 2.508
361 2HZ LYS 36 HZ2 LYS 36 25.424 2.811 0.881
362 3HZ LYS 36 HZ3 LYS 36 25.478 1.194 1.375
363 H HIS 37 HN HIS 37 22.034 2.060 -1.368
364 HA HIS 37 HA HIS 37 24.603 1.260 -0.384
365 1HB HIS 37 HB2 HIS 37 22.150 -0.023 -1.223
366 2HB HIS 37 HB1 HIS 37 23.544 -0.823 -1.919
367 HD1 HIS 37 HD1 HIS 37 24.785 -2.406 -0.435
368 HD2 HIS 37 HD2 HIS 37 22.262 0.124 1.687
369 HE1 HIS 37 HE1 HIS 37 24.842 -3.238 1.938
370 HE2 HIS 37 HE2 HIS 37 23.287 -1.708 3.202
371 H GLU 38 HN GLU 38 23.072 1.344 -3.589
372 HA GLU 38 HA GLU 38 25.765 1.370 -4.777
373 1HB GLU 38 HB2 GLU 38 24.825 0.227 -6.735
374 2HB GLU 38 HB1 GLU 38 24.623 -0.730 -5.274
375 1HG GLU 38 HG2 GLU 38 22.357 -0.497 -5.264
376 2HG GLU 38 HG1 GLU 38 22.401 1.063 -6.085
Start of MODEL 17
1 1H VAL 1 HT1 VAL 1 -27.763 -6.924 3.806
2 2H VAL 1 HT2 VAL 1 -26.876 -5.890 2.763
3 3H VAL 1 HT3 VAL 1 -28.561 -6.110 2.527
4 HA VAL 1 HA VAL 1 -29.136 -4.855 4.283
5 HB VAL 1 HB VAL 1 -27.538 -4.210 6.076
6 1HG1 VAL 1 HG11 VAL 1 -27.247 -6.976 6.531
7 2HG1 VAL 1 HG12 VAL 1 -28.741 -6.761 5.619
8 3HG1 VAL 1 HG13 VAL 1 -28.505 -5.899 7.139
9 1HG2 VAL 1 HG21 VAL 1 -25.706 -5.858 4.405
10 2HG2 VAL 1 HG22 VAL 1 -25.507 -5.884 6.157
11 3HG2 VAL 1 HG23 VAL 1 -25.395 -4.359 5.280
12 H MET 2 HN MET 2 -28.521 -2.544 4.925
13 HA MET 2 HA MET 2 -27.870 -1.113 2.609
14 1HB MET 2 HB2 MET 2 -28.621 -0.537 5.386
15 2HB MET 2 HB1 MET 2 -27.621 0.687 4.643
16 1HG MET 2 HG2 MET 2 -30.143 -0.378 3.428
17 2HG MET 2 HG1 MET 2 -30.071 1.064 4.440
18 1HE MET 2 HE1 MET 2 -27.850 3.288 3.129
19 2HE MET 2 HE2 MET 2 -29.352 3.057 4.025
20 3HE MET 2 HE3 MET 2 -29.385 3.799 2.426
21 HA PRO 3 HA PRO 3 -23.609 -0.290 4.519
22 1HB PRO 3 HB2 PRO 3 -23.092 -0.679 7.066
23 2HB PRO 3 HB1 PRO 3 -24.354 0.479 6.656
24 1HG PRO 3 HG2 PRO 3 -24.649 -2.404 7.424
25 2HG PRO 3 HG1 PRO 3 -25.454 -0.987 8.140
26 1HD PRO 3 HD2 PRO 3 -26.568 -2.539 6.149
27 2HD PRO 3 HD1 PRO 3 -26.973 -0.831 6.415
28 H LYS 4 HN LYS 4 -21.911 -1.947 6.274
29 HA LYS 4 HA LYS 4 -20.750 -3.882 6.330
30 1HB LYS 4 HB2 LYS 4 -22.995 -4.891 6.730
31 2HB LYS 4 HB1 LYS 4 -23.148 -5.139 4.998
32 1HG LYS 4 HG2 LYS 4 -20.901 -6.415 5.239
33 2HG LYS 4 HG1 LYS 4 -21.340 -6.494 6.947
34 1HD LYS 4 HD2 LYS 4 -23.652 -7.202 5.519
35 2HD LYS 4 HD1 LYS 4 -22.319 -8.054 4.736
36 1HE LYS 4 HE2 LYS 4 -21.697 -8.502 7.309
37 2HE LYS 4 HE1 LYS 4 -23.449 -8.369 7.449
38 1HZ LYS 4 HZ1 LYS 4 -23.763 -10.157 5.988
39 2HZ LYS 4 HZ2 LYS 4 -22.518 -10.659 7.017
40 3HZ LYS 4 HZ3 LYS 4 -22.158 -10.130 5.451
41 H GLN 5 HN GLN 5 -22.213 -2.909 3.308
42 HA GLN 5 HA GLN 5 -20.193 -4.363 1.817
43 1HB GLN 5 HB2 GLN 5 -21.788 -4.493 0.249
44 2HB GLN 5 HB1 GLN 5 -22.866 -3.651 1.346
45 1HG GLN 5 HG2 GLN 5 -23.066 -2.146 -0.287
46 2HG GLN 5 HG1 GLN 5 -21.512 -1.606 0.224
47 1HE2 GLN 5 HE21 GLN 5 -22.890 -4.000 -1.890
48 2HE2 GLN 5 HE22 GLN 5 -21.711 -3.784 -3.106
49 H ILE 6 HN ILE 6 -21.040 -1.241 2.916
50 HA ILE 6 HA ILE 6 -19.071 0.104 1.312
51 HB ILE 6 HB ILE 6 -19.738 2.049 2.879
52 1HG1 ILE 6 HG12 ILE 6 -22.015 1.978 3.709
53 2HG1 ILE 6 HG11 ILE 6 -22.199 0.319 3.198
54 1HG2 ILE 6 HG21 ILE 6 -21.631 0.961 0.832
55 2HG2 ILE 6 HG22 ILE 6 -20.159 1.876 0.499
56 3HG2 ILE 6 HG23 ILE 6 -21.507 2.647 1.342
57 1HD1 ILE 6 HD11 ILE 6 -21.050 -0.474 4.985
58 2HD1 ILE 6 HD12 ILE 6 -21.591 1.046 5.691
59 3HD1 ILE 6 HD13 ILE 6 -19.960 0.911 5.034
60 H VAL 7 HN VAL 7 -19.513 -1.321 4.420
61 HA VAL 7 HA VAL 7 -17.311 -0.074 5.752
62 HB VAL 7 HB VAL 7 -19.498 -1.284 6.685
63 1HG1 VAL 7 HG11 VAL 7 -19.047 -3.511 7.518
64 2HG1 VAL 7 HG12 VAL 7 -17.461 -3.503 6.749
65 3HG1 VAL 7 HG13 VAL 7 -18.922 -3.476 5.760
66 1HG2 VAL 7 HG21 VAL 7 -17.765 -0.026 7.911
67 2HG2 VAL 7 HG22 VAL 7 -16.863 -1.530 8.085
68 3HG2 VAL 7 HG23 VAL 7 -18.459 -1.370 8.816
69 H TYR 8 HN TYR 8 -18.084 -2.996 4.063
70 HA TYR 8 HA TYR 8 -15.694 -4.474 4.334
71 1HB TYR 8 HB2 TYR 8 -18.121 -4.740 2.960
72 2HB TYR 8 HB1 TYR 8 -16.890 -4.698 1.704
73 HD1 TYR 8 HD1 TYR 8 -16.753 -6.009 5.153
74 HD2 TYR 8 HD2 TYR 8 -16.594 -6.900 1.015
75 HE1 TYR 8 HE1 TYR 8 -16.090 -8.213 5.677
76 HE2 TYR 8 HE2 TYR 8 -15.944 -9.162 1.525
77 HH TYR 8 HH TYR 8 -16.012 -10.765 3.337
78 H TRP 9 HN TRP 9 -16.964 -2.212 1.953
79 HA TRP 9 HA TRP 9 -14.769 -2.004 0.218
80 1HB TRP 9 HB2 TRP 9 -17.188 -0.455 0.893
81 2HB TRP 9 HB1 TRP 9 -15.846 0.533 0.315
82 HD1 TRP 9 HD1 TRP 9 -18.633 -1.419 -0.913
83 HE1 TRP 9 HE1 TRP 9 -18.328 -1.778 -3.473
84 HE3 TRP 9 HE3 TRP 9 -13.901 -0.005 -1.304
85 HZ2 TRP 9 HZ2 TRP 9 -16.317 -1.480 -5.385
86 HZ3 TRP 9 HZ3 TRP 9 -12.784 -0.031 -3.510
87 HH2 TRP 9 HH2 TRP 9 -14.004 -0.770 -5.509
88 H LYS 10 HN LYS 10 -15.901 0.167 2.621
89 HA LYS 10 HA LYS 10 -13.788 1.878 2.934
90 1HB LYS 10 HB2 LYS 10 -15.871 2.336 4.003
91 2HB LYS 10 HB1 LYS 10 -15.795 0.845 4.929
92 1HG LYS 10 HG2 LYS 10 -13.497 2.214 5.626
93 2HG LYS 10 HG1 LYS 10 -14.744 3.453 5.536
94 1HD LYS 10 HD2 LYS 10 -15.714 2.736 7.419
95 2HD LYS 10 HD1 LYS 10 -15.679 1.056 6.878
96 1HE LYS 10 HE2 LYS 10 -13.117 1.282 7.440
97 2HE LYS 10 HE1 LYS 10 -13.687 2.583 8.484
98 1HZ LYS 10 HZ1 LYS 10 -14.258 -0.300 8.636
99 2HZ LYS 10 HZ2 LYS 10 -15.354 0.808 9.293
100 3HZ LYS 10 HZ3 LYS 10 -13.762 0.757 9.860
101 H GLN 11 HN GLN 11 -14.382 -1.093 4.804
102 HA GLN 11 HA GLN 11 -11.886 -0.891 6.170
103 1HB GLN 11 HB2 GLN 11 -12.416 -2.895 7.241
104 2HB GLN 11 HB1 GLN 11 -13.970 -2.138 6.989
105 1HG GLN 11 HG2 GLN 11 -14.632 -3.689 5.447
106 2HG GLN 11 HG1 GLN 11 -12.990 -4.066 4.944
107 1HE2 GLN 11 HE21 GLN 11 -12.631 -4.205 8.173
108 2HE2 GLN 11 HE22 GLN 11 -13.069 -5.849 8.452
109 H TRP 12 HN TRP 12 -12.362 -1.385 3.083
110 HA TRP 12 HA TRP 12 -10.111 -3.256 2.767
111 1HB TRP 12 HB2 TRP 12 -12.385 -3.778 1.704
112 2HB TRP 12 HB1 TRP 12 -12.069 -2.489 0.607
113 HD1 TRP 12 HD1 TRP 12 -11.364 -6.022 1.150
114 HE1 TRP 12 HE1 TRP 12 -9.658 -6.836 -0.577
115 HE3 TRP 12 HE3 TRP 12 -10.089 -1.587 -0.609
116 HZ2 TRP 12 HZ2 TRP 12 -7.967 -5.674 -2.516
117 HZ3 TRP 12 HZ3 TRP 12 -8.399 -1.399 -2.445
118 HH2 TRP 12 HH2 TRP 12 -7.352 -3.455 -3.380
119 H LEU 13 HN LEU 13 -11.419 -0.084 1.795
120 HA LEU 13 HA LEU 13 -8.874 0.475 0.463
121 1HB LEU 13 HB2 LEU 13 -10.881 1.012 -0.816
122 2HB LEU 13 HB1 LEU 13 -11.472 2.022 0.491
123 HG LEU 13 HG LEU 13 -8.824 2.833 -0.400
124 1HD1 LEU 13 HD11 LEU 13 -9.056 3.035 -2.600
125 2HD1 LEU 13 HD12 LEU 13 -10.680 3.705 -2.441
126 3HD1 LEU 13 HD13 LEU 13 -10.445 1.957 -2.472
127 1HD2 LEU 13 HD21 LEU 13 -11.363 3.991 0.454
128 2HD2 LEU 13 HD22 LEU 13 -10.557 4.915 -0.813
129 3HD2 LEU 13 HD23 LEU 13 -9.713 4.565 0.695
130 H SER 14 HN SER 14 -10.270 0.786 3.474
131 HA SER 14 HA SER 14 -9.011 3.326 4.072
132 1HB SER 14 HB2 SER 14 -11.223 2.115 5.151
133 2HB SER 14 HB1 SER 14 -9.990 1.726 6.341
134 HG SER 14 HG SER 14 -9.902 3.755 6.918
135 H LEU 15 HN LEU 15 -8.716 -0.069 4.897
136 HA LEU 15 HA LEU 15 -6.280 0.348 6.334
137 1HB LEU 15 HB2 LEU 15 -7.623 -2.218 5.509
138 2HB LEU 15 HB1 LEU 15 -6.365 -2.026 6.711
139 HG LEU 15 HG LEU 15 -8.234 -2.194 8.043
140 1HD1 LEU 15 HD11 LEU 15 -7.056 -0.070 8.525
141 2HD1 LEU 15 HD12 LEU 15 -8.778 0.000 8.909
142 3HD1 LEU 15 HD13 LEU 15 -8.171 0.754 7.433
143 1HD2 LEU 15 HD21 LEU 15 -10.167 -0.475 6.963
144 2HD2 LEU 15 HD22 LEU 15 -10.192 -2.240 7.021
145 3HD2 LEU 15 HD23 LEU 15 -9.501 -1.409 5.618
146 H ARG 16 HN ARG 16 -7.201 -1.590 3.526
147 HA ARG 16 HA ARG 16 -4.706 -2.334 2.676
148 1HB ARG 16 HB2 ARG 16 -7.184 -1.704 1.166
149 2HB ARG 16 HB1 ARG 16 -5.728 -2.093 0.291
150 1HG ARG 16 HG2 ARG 16 -7.210 -3.823 2.245
151 2HG ARG 16 HG1 ARG 16 -7.014 -4.082 0.511
152 1HD ARG 16 HD2 ARG 16 -4.487 -4.106 1.036
153 2HD ARG 16 HD1 ARG 16 -4.996 -4.362 2.706
154 HE ARG 16 HE ARG 16 -6.341 -6.296 1.514
155 1HH1 ARG 16 1HH1 ARG 16 -3.028 -5.298 1.020
156 2HH1 ARG 16 2HH1 ARG 16 -2.498 -6.874 0.540
157 1HH2 ARG 16 1HH2 ARG 16 -5.637 -8.367 0.891
158 2HH2 ARG 16 2HH2 ARG 16 -3.976 -8.615 0.467
159 H ASN 17 HN ASN 17 -6.147 0.755 2.504
160 HA ASN 17 HA ASN 17 -4.586 1.973 0.555
161 1HB ASN 17 HB2 ASN 17 -6.507 2.723 2.551
162 2HB ASN 17 HB1 ASN 17 -5.274 3.917 2.410
163 1HD2 ASN 17 HD21 ASN 17 -7.331 5.041 1.745
164 2HD2 ASN 17 HD22 ASN 17 -7.661 5.057 0.058
165 HA PRO 18 HA PRO 18 -1.681 3.927 3.800
166 1HB PRO 18 HB2 PRO 18 -1.983 3.002 6.389
167 2HB PRO 18 HB1 PRO 18 -2.533 4.565 5.783
168 1HG PRO 18 HG2 PRO 18 -4.038 2.012 6.048
169 2HG PRO 18 HG1 PRO 18 -4.559 3.665 6.425
170 1HD PRO 18 HD2 PRO 18 -5.348 2.525 4.182
171 2HD PRO 18 HD1 PRO 18 -4.821 4.214 4.172
172 H ILE 19 HN ILE 19 -2.807 0.730 3.910
173 HA ILE 19 HA ILE 19 -0.412 -0.416 4.960
174 HB ILE 19 HB ILE 19 -2.736 -1.714 3.574
175 1HG1 ILE 19 HG12 ILE 19 -1.945 -1.353 6.459
176 2HG1 ILE 19 HG11 ILE 19 -3.372 -0.724 5.670
177 1HG2 ILE 19 HG21 ILE 19 -0.400 -2.967 5.015
178 2HG2 ILE 19 HG22 ILE 19 -0.774 -3.106 3.297
179 3HG2 ILE 19 HG23 ILE 19 -1.847 -3.831 4.494
180 1HD1 ILE 19 HD11 ILE 19 -3.218 -3.026 7.162
181 2HD1 ILE 19 HD12 ILE 19 -3.223 -3.611 5.497
182 3HD1 ILE 19 HD13 ILE 19 -4.527 -2.573 6.070
183 H LEU 20 HN LEU 20 -1.615 0.204 1.764
184 HA LEU 20 HA LEU 20 0.389 -1.320 0.413
185 1HB LEU 20 HB2 LEU 20 -0.369 -0.364 -1.606
186 2HB LEU 20 HB1 LEU 20 -1.792 -0.646 -0.628
187 HG LEU 20 HG LEU 20 -0.885 2.012 -0.149
188 1HD1 LEU 20 HD11 LEU 20 -0.676 2.994 -2.196
189 2HD1 LEU 20 HD12 LEU 20 -1.624 1.749 -3.009
190 3HD1 LEU 20 HD13 LEU 20 0.050 1.428 -2.557
191 1HD2 LEU 20 HD21 LEU 20 -3.140 0.952 0.070
192 2HD2 LEU 20 HD22 LEU 20 -3.294 1.113 -1.681
193 3HD2 LEU 20 HD23 LEU 20 -3.106 2.551 -0.674
194 H VAL 21 HN VAL 21 -0.115 1.913 1.510
195 HA VAL 21 HA VAL 21 2.076 3.252 0.499
196 HB VAL 21 HB VAL 21 0.428 3.340 2.954
197 1HG1 VAL 21 HG11 VAL 21 2.654 5.271 2.486
198 2HG1 VAL 21 HG12 VAL 21 2.827 3.807 3.460
199 3HG1 VAL 21 HG13 VAL 21 1.666 5.054 3.935
200 1HG2 VAL 21 HG21 VAL 21 -0.476 4.224 0.890
201 2HG2 VAL 21 HG22 VAL 21 0.899 5.326 0.739
202 3HG2 VAL 21 HG23 VAL 21 -0.245 5.516 2.072
203 H PHE 22 HN PHE 22 1.492 1.538 3.507
204 HA PHE 22 HA PHE 22 3.947 1.683 4.754
205 1HB PHE 22 HB2 PHE 22 2.490 0.749 6.172
206 2HB PHE 22 HB1 PHE 22 1.506 0.123 4.870
207 HD1 PHE 22 HD1 PHE 22 1.332 -2.023 4.595
208 HD2 PHE 22 HD2 PHE 22 4.758 -0.424 6.426
209 HE1 PHE 22 HE1 PHE 22 2.169 -4.311 4.954
210 HE2 PHE 22 HE2 PHE 22 5.638 -2.681 6.823
211 HZ PHE 22 HZ PHE 22 4.342 -4.648 6.068
212 H LEU 23 HN LEU 23 2.787 -0.250 2.126
213 HA LEU 23 HA LEU 23 5.187 -1.992 2.178
214 1HB LEU 23 HB2 LEU 23 2.947 -1.743 0.185
215 2HB LEU 23 HB1 LEU 23 4.341 -2.773 -0.079
216 HG LEU 23 HG LEU 23 3.482 -3.616 2.378
217 1HD1 LEU 23 HD11 LEU 23 1.482 -2.010 1.480
218 2HD1 LEU 23 HD12 LEU 23 1.295 -3.309 2.670
219 3HD1 LEU 23 HD13 LEU 23 0.932 -3.611 0.967
220 1HD2 LEU 23 HD21 LEU 23 3.636 -4.598 -0.290
221 2HD2 LEU 23 HD22 LEU 23 2.103 -5.126 0.403
222 3HD2 LEU 23 HD23 LEU 23 3.619 -5.512 1.218
223 H LYS 24 HN LYS 24 3.946 0.739 0.546
224 HA LYS 24 HA LYS 24 5.791 0.931 -1.551
225 1HB LYS 24 HB2 LYS 24 3.566 2.337 -0.476
226 2HB LYS 24 HB1 LYS 24 4.821 3.490 -0.801
227 1HG LYS 24 HG2 LYS 24 4.118 3.457 -2.912
228 2HG LYS 24 HG1 LYS 24 4.769 1.819 -3.000
229 1HD LYS 24 HD2 LYS 24 2.461 1.257 -1.825
230 2HD LYS 24 HD1 LYS 24 1.968 2.724 -2.681
231 1HE LYS 24 HE2 LYS 24 1.541 1.227 -4.334
232 2HE LYS 24 HE1 LYS 24 3.249 1.497 -4.674
233 1HZ LYS 24 HZ1 LYS 24 3.787 -0.568 -4.032
234 2HZ LYS 24 HZ2 LYS 24 2.154 -0.913 -4.306
235 3HZ LYS 24 HZ3 LYS 24 2.697 -0.584 -2.738
236 H THR 25 HN THR 25 5.635 2.260 1.649
237 HA THR 25 HA THR 25 7.976 3.807 1.514
238 HB THR 25 HB THR 25 6.345 4.419 3.130
239 HG1 THR 25 HG1 THR 25 8.260 3.142 4.750
240 1HG2 THR 25 HG21 THR 25 5.481 1.981 3.297
241 2HG2 THR 25 HG22 THR 25 5.321 3.073 4.676
242 3HG2 THR 25 HG23 THR 25 6.613 1.874 4.648
243 H ARG 26 HN ARG 26 7.189 0.579 2.776
244 HA ARG 26 HA ARG 26 9.697 -0.016 3.880
245 1HB ARG 26 HB2 ARG 26 7.559 -1.695 2.594
246 2HB ARG 26 HB1 ARG 26 9.007 -2.420 3.279
247 1HG ARG 26 HG2 ARG 26 6.781 -0.996 4.676
248 2HG ARG 26 HG1 ARG 26 7.408 -2.609 4.957
249 1HD ARG 26 HD2 ARG 26 9.567 -1.474 5.660
250 2HD ARG 26 HD1 ARG 26 8.641 0.026 5.672
251 HE ARG 26 HE ARG 26 8.184 -2.290 7.433
252 1HH1 ARG 26 1HH1 ARG 26 7.721 1.099 6.698
253 2HH1 ARG 26 2HH1 ARG 26 7.002 1.454 8.230
254 1HH2 ARG 26 1HH2 ARG 26 7.233 -1.816 9.439
255 2HH2 ARG 26 2HH2 ARG 26 6.723 -0.197 9.785
256 H VAL 27 HN VAL 27 8.400 -0.305 0.667
257 HA VAL 27 HA VAL 27 10.680 -1.487 -0.574
258 HB VAL 27 HB VAL 27 8.017 -0.445 -1.325
259 1HG1 VAL 27 HG11 VAL 27 10.302 -0.607 -3.241
260 2HG1 VAL 27 HG12 VAL 27 9.173 0.716 -2.959
261 3HG1 VAL 27 HG13 VAL 27 8.622 -0.756 -3.759
262 1HG2 VAL 27 HG21 VAL 27 7.660 -2.583 -2.165
263 2HG2 VAL 27 HG22 VAL 27 8.691 -2.854 -0.760
264 3HG2 VAL 27 HG23 VAL 27 9.384 -2.890 -2.382
265 H LEU 28 HN LEU 28 9.655 1.670 0.272
266 HA LEU 28 HA LEU 28 11.167 3.106 -1.649
267 1HB LEU 28 HB2 LEU 28 9.840 4.797 -1.028
268 2HB LEU 28 HB1 LEU 28 8.943 3.614 -0.147
269 HG LEU 28 HG LEU 28 10.148 4.151 1.882
270 1HD1 LEU 28 HD11 LEU 28 11.360 6.607 1.346
271 2HD1 LEU 28 HD12 LEU 28 11.916 5.528 0.066
272 3HD1 LEU 28 HD13 LEU 28 12.158 5.089 1.758
273 1HD2 LEU 28 HD21 LEU 28 8.424 5.531 2.159
274 2HD2 LEU 28 HD22 LEU 28 8.407 5.948 0.445
275 3HD2 LEU 28 HD23 LEU 28 9.451 6.832 1.557
276 H LYS 29 HN LYS 29 11.173 2.556 1.782
277 HA LYS 29 HA LYS 29 13.642 3.828 2.266
278 1HB LYS 29 HB2 LYS 29 13.521 3.015 4.500
279 2HB LYS 29 HB1 LYS 29 11.881 3.410 4.019
280 1HG LYS 29 HG2 LYS 29 11.643 1.406 5.136
281 2HG LYS 29 HG1 LYS 29 11.676 0.906 3.449
282 1HD LYS 29 HD2 LYS 29 13.340 -0.482 3.975
283 2HD LYS 29 HD1 LYS 29 14.352 0.932 4.267
284 1HE LYS 29 HE2 LYS 29 13.444 0.976 6.606
285 2HE LYS 29 HE1 LYS 29 12.683 -0.578 6.267
286 1HZ LYS 29 HZ1 LYS 29 15.409 -0.670 5.537
287 2HZ LYS 29 HZ2 LYS 29 14.587 -1.598 6.687
288 3HZ LYS 29 HZ3 LYS 29 15.277 -0.119 7.131
289 H ARG 30 HN ARG 30 12.698 0.802 1.115
290 HA ARG 30 HA ARG 30 15.183 -0.533 1.554
291 1HB ARG 30 HB2 ARG 30 12.575 -1.099 0.275
292 2HB ARG 30 HB1 ARG 30 13.928 -2.077 -0.220
293 1HG ARG 30 HG2 ARG 30 13.796 -1.824 2.633
294 2HG ARG 30 HG1 ARG 30 12.274 -2.409 1.980
295 1HD ARG 30 HD2 ARG 30 14.437 -3.767 0.689
296 2HD ARG 30 HD1 ARG 30 14.647 -3.871 2.437
297 HE ARG 30 HE ARG 30 12.040 -4.518 2.074
298 1HH1 ARG 30 1HH1 ARG 30 15.024 -5.702 0.707
299 2HH1 ARG 30 2HH1 ARG 30 14.422 -7.308 0.468
300 1HH2 ARG 30 1HH2 ARG 30 11.248 -6.629 1.766
301 2HH2 ARG 30 2HH2 ARG 30 12.278 -7.835 1.071
302 H TRP 31 HN TRP 31 13.527 1.323 -0.826
303 HA TRP 31 HA TRP 31 15.220 0.885 -3.019
304 1HB TRP 31 HB2 TRP 31 12.781 2.141 -2.392
305 2HB TRP 31 HB1 TRP 31 13.805 3.336 -3.080
306 HD1 TRP 31 HD1 TRP 31 11.994 0.287 -3.901
307 HE1 TRP 31 HE1 TRP 31 12.140 -0.133 -6.429
308 HE3 TRP 31 HE3 TRP 31 15.330 3.688 -4.798
309 HZ2 TRP 31 HZ2 TRP 31 13.612 0.972 -8.587
310 HZ3 TRP 31 HZ3 TRP 31 16.189 4.078 -7.132
311 HH2 TRP 31 HH2 TRP 31 15.330 2.717 -8.996
312 H ARG 32 HN ARG 32 14.780 3.225 -0.393
313 HA ARG 32 HA ARG 32 16.730 5.123 -1.053
314 1HB ARG 32 HB2 ARG 32 15.725 3.993 1.529
315 2HB ARG 32 HB1 ARG 32 16.636 5.504 1.414
316 1HG ARG 32 HG2 ARG 32 14.050 5.082 -0.054
317 2HG ARG 32 HG1 ARG 32 14.102 5.662 1.590
318 1HD ARG 32 HD2 ARG 32 15.634 6.902 -0.643
319 2HD ARG 32 HD1 ARG 32 13.985 7.375 -0.264
320 HE ARG 32 HE ARG 32 14.777 8.131 1.899
321 1HH1 ARG 32 1HH1 ARG 32 17.247 7.505 -0.501
322 2HH1 ARG 32 2HH1 ARG 32 18.417 8.521 0.268
323 1HH2 ARG 32 1HH2 ARG 32 16.322 9.461 2.900
324 2HH2 ARG 32 2HH2 ARG 32 17.895 9.628 2.195
325 H LEU 33 HN LEU 33 16.706 2.239 0.848
326 HA LEU 33 HA LEU 33 19.315 2.062 1.752
327 1HB LEU 33 HB2 LEU 33 16.924 0.364 1.325
328 2HB LEU 33 HB1 LEU 33 18.388 -0.408 1.770
329 HG LEU 33 HG LEU 33 16.484 0.639 3.409
330 1HD1 LEU 33 HD11 LEU 33 17.820 -1.100 4.225
331 2HD1 LEU 33 HD12 LEU 33 18.258 0.283 5.227
332 3HD1 LEU 33 HD13 LEU 33 19.312 -0.217 3.904
333 1HD2 LEU 33 HD21 LEU 33 17.266 2.550 4.473
334 2HD2 LEU 33 HD22 LEU 33 17.504 2.855 2.749
335 3HD2 LEU 33 HD23 LEU 33 18.873 2.388 3.759
336 H PHE 34 HN PHE 34 17.580 0.847 -0.930
337 HA PHE 34 HA PHE 34 19.727 -0.713 -2.016
338 1HB PHE 34 HB2 PHE 34 16.938 -0.253 -2.558
339 2HB PHE 34 HB1 PHE 34 17.884 -0.484 -4.001
340 HD1 PHE 34 HD1 PHE 34 18.516 -1.794 -0.710
341 HD2 PHE 34 HD2 PHE 34 17.196 -2.633 -4.638
342 HE1 PHE 34 HE1 PHE 34 18.617 -4.192 -0.218
343 HE2 PHE 34 HE2 PHE 34 17.276 -5.031 -4.175
344 HZ PHE 34 HZ PHE 34 17.991 -5.843 -1.951
345 H SER 35 HN SER 35 18.665 2.413 -2.073
346 HA SER 35 HA SER 35 20.133 3.047 -4.575
347 1HB SER 35 HB2 SER 35 17.760 4.138 -3.532
348 2HB SER 35 HB1 SER 35 18.981 5.391 -3.351
349 HG SER 35 HG SER 35 17.898 4.281 -5.644
350 H LYS 36 HN LYS 36 20.257 3.572 -1.112
351 HA LYS 36 HA LYS 36 22.388 5.503 -1.360
352 1HB LYS 36 HB2 LYS 36 22.118 5.924 0.857
353 2HB LYS 36 HB1 LYS 36 20.553 5.215 0.513
354 1HG LYS 36 HG2 LYS 36 21.230 3.115 1.452
355 2HG LYS 36 HG1 LYS 36 22.884 3.695 1.655
356 1HD LYS 36 HD2 LYS 36 21.631 3.755 3.764
357 2HD LYS 36 HD1 LYS 36 22.124 5.369 3.248
358 1HE LYS 36 HE2 LYS 36 19.821 5.588 2.210
359 2HE LYS 36 HE1 LYS 36 19.392 4.119 3.084
360 1HZ LYS 36 HZ1 LYS 36 18.799 5.582 4.660
361 2HZ LYS 36 HZ2 LYS 36 19.801 6.813 4.075
362 3HZ LYS 36 HZ3 LYS 36 20.447 5.583 5.041
363 H HIS 37 HN HIS 37 22.126 2.119 -1.039
364 HA HIS 37 HA HIS 37 24.766 1.659 -0.049
365 1HB HIS 37 HB2 HIS 37 22.436 0.081 -0.676
366 2HB HIS 37 HB1 HIS 37 23.874 -0.661 -1.349
367 HD1 HIS 37 HD1 HIS 37 24.958 -2.241 0.210
368 HD2 HIS 37 HD2 HIS 37 22.980 0.810 2.220
369 HE1 HIS 37 HE1 HIS 37 25.262 -2.741 2.656
370 HE2 HIS 37 HE2 HIS 37 23.981 -0.932 3.853
371 H GLU 38 HN GLU 38 23.223 1.283 -3.227
372 HA GLU 38 HA GLU 38 25.727 1.928 -4.524
373 1HB GLU 38 HB2 GLU 38 25.743 -0.088 -5.927
374 2HB GLU 38 HB1 GLU 38 25.949 -0.477 -4.225
375 1HG GLU 38 HG2 GLU 38 23.298 -0.736 -4.396
376 2HG GLU 38 HG1 GLU 38 23.726 -1.109 -6.065
Start of MODEL 18
1 1H VAL 1 HT1 VAL 1 -30.208 2.308 1.789
2 2H VAL 1 HT2 VAL 1 -29.006 2.397 3.010
3 3H VAL 1 HT3 VAL 1 -30.625 2.009 3.423
4 HA VAL 1 HA VAL 1 -30.519 -0.045 2.418
5 HB VAL 1 HB VAL 1 -28.419 -0.777 1.234
6 1HG1 VAL 1 HG11 VAL 1 -30.513 -0.137 0.071
7 2HG1 VAL 1 HG12 VAL 1 -29.060 0.172 -0.882
8 3HG1 VAL 1 HG13 VAL 1 -29.887 1.506 -0.078
9 1HG2 VAL 1 HG21 VAL 1 -27.844 2.176 1.386
10 2HG2 VAL 1 HG22 VAL 1 -27.058 1.086 0.243
11 3HG2 VAL 1 HG23 VAL 1 -26.845 0.848 1.977
12 H MET 2 HN MET 2 -28.906 -1.920 2.939
13 HA MET 2 HA MET 2 -28.230 -1.666 5.689
14 1HB MET 2 HB2 MET 2 -28.397 -3.799 3.653
15 2HB MET 2 HB1 MET 2 -27.263 -4.071 4.954
16 1HG MET 2 HG2 MET 2 -29.090 -3.664 6.574
17 2HG MET 2 HG1 MET 2 -30.200 -3.533 5.210
18 1HE MET 2 HE1 MET 2 -27.302 -5.450 6.406
19 2HE MET 2 HE2 MET 2 -27.437 -6.956 5.499
20 3HE MET 2 HE3 MET 2 -28.074 -6.855 7.140
21 HA PRO 3 HA PRO 3 -23.877 -0.924 5.127
22 1HB PRO 3 HB2 PRO 3 -23.048 -1.228 7.604
23 2HB PRO 3 HB1 PRO 3 -24.410 -0.146 7.321
24 1HG PRO 3 HG2 PRO 3 -24.458 -3.020 8.171
25 2HG PRO 3 HG1 PRO 3 -25.250 -1.630 8.949
26 1HD PRO 3 HD2 PRO 3 -26.501 -3.288 7.133
27 2HD PRO 3 HD1 PRO 3 -26.966 -1.596 7.412
28 H LYS 4 HN LYS 4 -21.895 -2.439 6.700
29 HA LYS 4 HA LYS 4 -20.664 -4.339 6.694
30 1HB LYS 4 HB2 LYS 4 -23.051 -5.347 7.006
31 2HB LYS 4 HB1 LYS 4 -22.855 -5.858 5.336
32 1HG LYS 4 HG2 LYS 4 -21.256 -7.392 5.843
33 2HG LYS 4 HG1 LYS 4 -20.648 -6.468 7.218
34 1HD LYS 4 HD2 LYS 4 -23.193 -7.112 8.014
35 2HD LYS 4 HD1 LYS 4 -22.705 -8.544 7.108
36 1HE LYS 4 HE2 LYS 4 -20.506 -7.798 8.711
37 2HE LYS 4 HE1 LYS 4 -21.937 -7.722 9.738
38 1HZ LYS 4 HZ1 LYS 4 -20.654 -10.020 8.516
39 2HZ LYS 4 HZ2 LYS 4 -22.345 -10.033 8.486
40 3HZ LYS 4 HZ3 LYS 4 -21.528 -9.906 9.962
41 H GLN 5 HN GLN 5 -22.309 -3.342 3.767
42 HA GLN 5 HA GLN 5 -20.306 -4.683 2.147
43 1HB GLN 5 HB2 GLN 5 -22.020 -4.875 0.696
44 2HB GLN 5 HB1 GLN 5 -23.031 -3.967 1.801
45 1HG GLN 5 HG2 GLN 5 -23.221 -2.754 -0.107
46 2HG GLN 5 HG1 GLN 5 -21.945 -1.885 0.705
47 1HE2 GLN 5 HE21 GLN 5 -19.937 -3.839 0.036
48 2HE2 GLN 5 HE22 GLN 5 -19.688 -3.695 -1.647
49 H ILE 6 HN ILE 6 -21.213 -1.612 3.357
50 HA ILE 6 HA ILE 6 -19.365 -0.176 1.692
51 HB ILE 6 HB ILE 6 -20.036 1.723 3.322
52 1HG1 ILE 6 HG12 ILE 6 -22.282 1.556 4.220
53 2HG1 ILE 6 HG11 ILE 6 -22.425 -0.097 3.681
54 1HG2 ILE 6 HG21 ILE 6 -21.883 2.274 1.854
55 2HG2 ILE 6 HG22 ILE 6 -21.948 0.594 1.315
56 3HG2 ILE 6 HG23 ILE 6 -20.530 1.581 0.957
57 1HD1 ILE 6 HD11 ILE 6 -21.241 -0.885 5.435
58 2HD1 ILE 6 HD12 ILE 6 -21.737 0.638 6.169
59 3HD1 ILE 6 HD13 ILE 6 -20.138 0.494 5.439
60 H VAL 7 HN VAL 7 -19.626 -1.649 4.801
61 HA VAL 7 HA VAL 7 -17.402 -0.352 6.042
62 HB VAL 7 HB VAL 7 -19.479 -1.649 7.081
63 1HG1 VAL 7 HG11 VAL 7 -18.940 -3.888 7.812
64 2HG1 VAL 7 HG12 VAL 7 -17.390 -3.821 6.973
65 3HG1 VAL 7 HG13 VAL 7 -18.894 -3.808 6.051
66 1HG2 VAL 7 HG21 VAL 7 -18.259 -1.821 9.137
67 2HG2 VAL 7 HG22 VAL 7 -17.755 -0.381 8.255
68 3HG2 VAL 7 HG23 VAL 7 -16.729 -1.814 8.261
69 H TYR 8 HN TYR 8 -18.142 -3.272 4.328
70 HA TYR 8 HA TYR 8 -15.694 -4.668 4.463
71 1HB TYR 8 HB2 TYR 8 -18.158 -5.032 3.223
72 2HB TYR 8 HB1 TYR 8 -17.037 -4.836 1.880
73 HD1 TYR 8 HD1 TYR 8 -16.619 -6.966 1.041
74 HD2 TYR 8 HD2 TYR 8 -16.581 -6.328 5.227
75 HE1 TYR 8 HE1 TYR 8 -15.780 -9.200 1.371
76 HE2 TYR 8 HE2 TYR 8 -15.748 -8.507 5.575
77 HH TYR 8 HH TYR 8 -15.618 -10.903 3.065
78 H TRP 9 HN TRP 9 -17.125 -2.364 2.219
79 HA TRP 9 HA TRP 9 -14.994 -2.075 0.399
80 1HB TRP 9 HB2 TRP 9 -17.451 -0.639 1.155
81 2HB TRP 9 HB1 TRP 9 -16.165 0.420 0.578
82 HD1 TRP 9 HD1 TRP 9 -18.886 -1.626 -0.647
83 HE1 TRP 9 HE1 TRP 9 -18.611 -1.912 -3.221
84 HE3 TRP 9 HE3 TRP 9 -14.226 0.006 -1.087
85 HZ2 TRP 9 HZ2 TRP 9 -16.647 -1.480 -5.159
86 HZ3 TRP 9 HZ3 TRP 9 -13.150 0.081 -3.309
87 HH2 TRP 9 HH2 TRP 9 -14.371 -0.665 -5.304
88 H LYS 10 HN LYS 10 -16.136 0.002 2.873
89 HA LYS 10 HA LYS 10 -14.089 1.802 3.150
90 1HB LYS 10 HB2 LYS 10 -16.144 2.168 4.287
91 2HB LYS 10 HB1 LYS 10 -16.011 0.650 5.161
92 1HG LYS 10 HG2 LYS 10 -13.750 2.013 5.904
93 2HG LYS 10 HG1 LYS 10 -14.981 3.270 5.814
94 1HD LYS 10 HD2 LYS 10 -16.243 2.341 7.497
95 2HD LYS 10 HD1 LYS 10 -15.644 0.709 7.182
96 1HE LYS 10 HE2 LYS 10 -13.369 2.018 7.944
97 2HE LYS 10 HE1 LYS 10 -14.592 2.799 8.945
98 1HZ LYS 10 HZ1 LYS 10 -14.768 -0.088 8.826
99 2HZ LYS 10 HZ2 LYS 10 -14.896 0.953 10.154
100 3HZ LYS 10 HZ3 LYS 10 -13.371 0.505 9.575
101 H GLN 11 HN GLN 11 -14.442 -1.284 4.887
102 HA GLN 11 HA GLN 11 -11.924 -0.936 6.220
103 1HB GLN 11 HB2 GLN 11 -12.346 -3.013 7.255
104 2HB GLN 11 HB1 GLN 11 -13.921 -2.260 7.100
105 1HG GLN 11 HG2 GLN 11 -14.432 -3.631 5.189
106 2HG GLN 11 HG1 GLN 11 -12.815 -4.305 5.199
107 1HE2 GLN 11 HE21 GLN 11 -13.429 -4.108 8.400
108 2HE2 GLN 11 HE22 GLN 11 -14.185 -5.638 8.649
109 H TRP 12 HN TRP 12 -12.487 -1.423 3.144
110 HA TRP 12 HA TRP 12 -10.206 -3.245 2.740
111 1HB TRP 12 HB2 TRP 12 -12.479 -3.787 1.718
112 2HB TRP 12 HB1 TRP 12 -12.233 -2.456 0.655
113 HD1 TRP 12 HD1 TRP 12 -11.411 -5.981 1.066
114 HE1 TRP 12 HE1 TRP 12 -9.740 -6.693 -0.739
115 HE3 TRP 12 HE3 TRP 12 -10.324 -1.461 -0.602
116 HZ2 TRP 12 HZ2 TRP 12 -8.151 -5.422 -2.700
117 HZ3 TRP 12 HZ3 TRP 12 -8.709 -1.167 -2.486
118 HH2 TRP 12 HH2 TRP 12 -7.634 -3.162 -3.516
119 H LEU 13 HN LEU 13 -11.561 -0.074 1.861
120 HA LEU 13 HA LEU 13 -9.077 0.516 0.441
121 1HB LEU 13 HB2 LEU 13 -10.213 2.039 -0.781
122 2HB LEU 13 HB1 LEU 13 -11.592 1.082 -0.289
123 HG LEU 13 HG LEU 13 -12.263 3.307 -0.001
124 1HD1 LEU 13 HD11 LEU 13 -13.051 3.183 2.082
125 2HD1 LEU 13 HD12 LEU 13 -11.441 3.099 2.794
126 3HD1 LEU 13 HD13 LEU 13 -12.197 1.643 2.149
127 1HD2 LEU 13 HD21 LEU 13 -10.084 4.197 1.758
128 2HD2 LEU 13 HD22 LEU 13 -10.945 5.060 0.484
129 3HD2 LEU 13 HD23 LEU 13 -9.643 3.945 0.069
130 H SER 14 HN SER 14 -10.459 0.885 3.494
131 HA SER 14 HA SER 14 -9.074 3.331 4.100
132 1HB SER 14 HB2 SER 14 -11.259 2.102 5.233
133 2HB SER 14 HB1 SER 14 -9.987 1.728 6.384
134 HG SER 14 HG SER 14 -9.930 3.750 6.973
135 H LEU 15 HN LEU 15 -8.772 -0.078 4.872
136 HA LEU 15 HA LEU 15 -6.302 0.323 6.252
137 1HB LEU 15 HB2 LEU 15 -7.658 -2.233 5.423
138 2HB LEU 15 HB1 LEU 15 -6.374 -2.055 6.600
139 HG LEU 15 HG LEU 15 -8.224 -2.247 7.965
140 1HD1 LEU 15 HD11 LEU 15 -7.015 -0.145 8.469
141 2HD1 LEU 15 HD12 LEU 15 -8.730 -0.059 8.879
142 3HD1 LEU 15 HD13 LEU 15 -8.135 0.713 7.406
143 1HD2 LEU 15 HD21 LEU 15 -9.526 -1.423 5.579
144 2HD2 LEU 15 HD22 LEU 15 -10.148 -0.471 6.937
145 3HD2 LEU 15 HD23 LEU 15 -10.211 -2.234 6.995
146 H ARG 16 HN ARG 16 -7.280 -1.561 3.425
147 HA ARG 16 HA ARG 16 -4.804 -2.316 2.519
148 1HB ARG 16 HB2 ARG 16 -7.284 -1.591 1.052
149 2HB ARG 16 HB1 ARG 16 -5.841 -1.954 0.143
150 1HG ARG 16 HG2 ARG 16 -7.353 -3.761 2.005
151 2HG ARG 16 HG1 ARG 16 -7.129 -3.939 0.265
152 1HD ARG 16 HD2 ARG 16 -4.638 -4.093 0.763
153 2HD ARG 16 HD1 ARG 16 -5.101 -4.280 2.455
154 HE ARG 16 HE ARG 16 -6.426 -6.114 0.682
155 1HH1 ARG 16 1HH1 ARG 16 -3.565 -5.551 2.601
156 2HH1 ARG 16 2HH1 ARG 16 -3.193 -7.235 2.765
157 1HH2 ARG 16 1HH2 ARG 16 -5.939 -8.328 0.898
158 2HH2 ARG 16 2HH2 ARG 16 -4.541 -8.811 1.798
159 H ASN 17 HN ASN 17 -6.242 0.782 2.361
160 HA ASN 17 HA ASN 17 -4.637 2.066 0.510
161 1HB ASN 17 HB2 ASN 17 -6.516 2.733 2.583
162 2HB ASN 17 HB1 ASN 17 -5.264 3.906 2.500
163 1HD2 ASN 17 HD21 ASN 17 -7.420 5.017 1.960
164 2HD2 ASN 17 HD22 ASN 17 -7.726 5.197 0.278
165 HA PRO 18 HA PRO 18 -1.761 3.742 3.972
166 1HB PRO 18 HB2 PRO 18 -2.053 2.478 6.419
167 2HB PRO 18 HB1 PRO 18 -2.622 4.102 6.020
168 1HG PRO 18 HG2 PRO 18 -4.091 1.517 5.954
169 2HG PRO 18 HG1 PRO 18 -4.640 3.106 6.515
170 1HD PRO 18 HD2 PRO 18 -5.389 2.216 4.145
171 2HD PRO 18 HD1 PRO 18 -4.906 3.907 4.342
172 H ILE 19 HN ILE 19 -2.848 0.519 3.765
173 HA ILE 19 HA ILE 19 -0.392 -0.713 4.634
174 HB ILE 19 HB ILE 19 -2.684 -1.906 3.090
175 1HG1 ILE 19 HG12 ILE 19 -1.986 -1.824 6.020
176 2HG1 ILE 19 HG11 ILE 19 -3.424 -1.186 5.252
177 1HG2 ILE 19 HG21 ILE 19 -1.526 -3.788 2.868
178 2HG2 ILE 19 HG22 ILE 19 -1.186 -3.823 4.597
179 3HG2 ILE 19 HG23 ILE 19 -0.107 -2.960 3.505
180 1HD1 ILE 19 HD11 ILE 19 -3.346 -3.929 4.649
181 2HD1 ILE 19 HD12 ILE 19 -4.470 -3.074 5.704
182 3HD1 ILE 19 HD13 ILE 19 -2.987 -3.763 6.367
183 H LEU 20 HN LEU 20 -1.667 0.314 1.606
184 HA LEU 20 HA LEU 20 0.329 -1.005 0.028
185 1HB LEU 20 HB2 LEU 20 -1.440 1.312 -0.786
186 2HB LEU 20 HB1 LEU 20 -0.525 0.280 -1.864
187 HG LEU 20 HG LEU 20 -3.152 -0.136 -0.638
188 1HD1 LEU 20 HD11 LEU 20 -1.703 -0.879 -3.133
189 2HD1 LEU 20 HD12 LEU 20 -3.220 -0.004 -2.929
190 3HD1 LEU 20 HD13 LEU 20 -3.170 -1.750 -2.686
191 1HD2 LEU 20 HD21 LEU 20 -1.158 -2.392 -0.758
192 2HD2 LEU 20 HD22 LEU 20 -2.903 -2.611 -0.618
193 3HD2 LEU 20 HD23 LEU 20 -2.011 -1.794 0.666
194 H VAL 21 HN VAL 21 -0.241 2.111 1.436
195 HA VAL 21 HA VAL 21 1.942 3.508 0.368
196 HB VAL 21 HB VAL 21 0.258 3.562 2.809
197 1HG1 VAL 21 HG11 VAL 21 2.535 5.453 2.351
198 2HG1 VAL 21 HG12 VAL 21 2.556 4.077 3.459
199 3HG1 VAL 21 HG13 VAL 21 1.433 5.417 3.731
200 1HG2 VAL 21 HG21 VAL 21 0.686 5.550 0.589
201 2HG2 VAL 21 HG22 VAL 21 -0.450 5.736 1.929
202 3HG2 VAL 21 HG23 VAL 21 -0.664 4.425 0.762
203 H PHE 22 HN PHE 22 1.315 1.795 3.359
204 HA PHE 22 HA PHE 22 3.750 1.927 4.652
205 1HB PHE 22 HB2 PHE 22 2.235 0.968 6.023
206 2HB PHE 22 HB1 PHE 22 1.306 0.343 4.685
207 HD1 PHE 22 HD1 PHE 22 1.224 -1.791 4.298
208 HD2 PHE 22 HD2 PHE 22 4.471 -0.168 6.408
209 HE1 PHE 22 HE1 PHE 22 2.098 -4.068 4.630
210 HE2 PHE 22 HE2 PHE 22 5.387 -2.417 6.787
211 HZ PHE 22 HZ PHE 22 4.202 -4.386 5.873
212 H LEU 23 HN LEU 23 2.721 0.053 1.905
213 HA LEU 23 HA LEU 23 5.175 -1.563 2.123
214 1HB LEU 23 HB2 LEU 23 3.964 -3.220 1.241
215 2HB LEU 23 HB1 LEU 23 2.556 -2.162 1.319
216 HG LEU 23 HG LEU 23 4.292 -1.843 -1.027
217 1HD1 LEU 23 HD11 LEU 23 3.912 -3.829 -2.027
218 2HD1 LEU 23 HD12 LEU 23 2.299 -3.970 -1.330
219 3HD1 LEU 23 HD13 LEU 23 3.713 -4.418 -0.377
220 1HD2 LEU 23 HD21 LEU 23 2.459 -0.906 -1.858
221 2HD2 LEU 23 HD22 LEU 23 2.004 -0.847 -0.147
222 3HD2 LEU 23 HD23 LEU 23 1.396 -2.151 -1.182
223 H LYS 24 HN LYS 24 4.060 1.255 0.716
224 HA LYS 24 HA LYS 24 5.575 1.196 -1.670
225 1HB LYS 24 HB2 LYS 24 3.880 2.668 -2.038
226 2HB LYS 24 HB1 LYS 24 3.510 2.744 -0.364
227 1HG LYS 24 HG2 LYS 24 5.894 4.192 -1.032
228 2HG LYS 24 HG1 LYS 24 4.445 4.804 -1.820
229 1HD LYS 24 HD2 LYS 24 3.479 5.415 0.151
230 2HD LYS 24 HD1 LYS 24 4.263 4.107 1.043
231 1HE LYS 24 HE2 LYS 24 6.344 5.306 1.081
232 2HE LYS 24 HE1 LYS 24 5.695 6.555 0.019
233 1HZ LYS 24 HZ1 LYS 24 4.880 5.987 2.815
234 2HZ LYS 24 HZ2 LYS 24 4.062 7.063 1.798
235 3HZ LYS 24 HZ3 LYS 24 5.666 7.370 2.239
236 H THR 25 HN THR 25 5.603 2.537 1.546
237 HA THR 25 HA THR 25 7.989 4.019 1.286
238 HB THR 25 HB THR 25 6.348 4.639 2.958
239 HG1 THR 25 HG1 THR 25 7.847 5.223 4.299
240 1HG2 THR 25 HG21 THR 25 5.572 2.294 3.443
241 2HG2 THR 25 HG22 THR 25 5.766 3.353 4.839
242 3HG2 THR 25 HG23 THR 25 6.989 2.135 4.480
243 H ARG 26 HN ARG 26 7.221 0.837 2.748
244 HA ARG 26 HA ARG 26 9.741 0.221 3.739
245 1HB ARG 26 HB2 ARG 26 7.574 -1.436 2.486
246 2HB ARG 26 HB1 ARG 26 9.041 -2.182 3.112
247 1HG ARG 26 HG2 ARG 26 6.872 -0.757 4.604
248 2HG ARG 26 HG1 ARG 26 7.499 -2.381 4.848
249 1HD ARG 26 HD2 ARG 26 9.710 -1.197 5.435
250 2HD ARG 26 HD1 ARG 26 8.713 0.249 5.601
251 HE ARG 26 HE ARG 26 8.854 -1.976 7.409
252 1HH1 ARG 26 1HH1 ARG 26 6.842 0.634 6.261
253 2HH1 ARG 26 2HH1 ARG 26 5.896 0.709 7.710
254 1HH2 ARG 26 1HH2 ARG 26 7.612 -1.879 9.316
255 2HH2 ARG 26 2HH2 ARG 26 6.334 -0.717 9.445
256 H VAL 27 HN VAL 27 8.434 -0.052 0.527
257 HA VAL 27 HA VAL 27 10.682 -1.263 -0.735
258 HB VAL 27 HB VAL 27 8.044 -0.150 -1.460
259 1HG1 VAL 27 HG11 VAL 27 10.308 -0.301 -3.413
260 2HG1 VAL 27 HG12 VAL 27 9.245 1.058 -3.051
261 3HG1 VAL 27 HG13 VAL 27 8.614 -0.353 -3.900
262 1HG2 VAL 27 HG21 VAL 27 8.304 -2.509 -1.011
263 2HG2 VAL 27 HG22 VAL 27 9.552 -2.639 -2.252
264 3HG2 VAL 27 HG23 VAL 27 7.888 -2.268 -2.709
265 H LEU 28 HN LEU 28 9.759 1.906 0.135
266 HA LEU 28 HA LEU 28 11.312 3.342 -1.751
267 1HB LEU 28 HB2 LEU 28 10.022 5.051 -1.101
268 2HB LEU 28 HB1 LEU 28 9.080 3.855 -0.287
269 HG LEU 28 HG LEU 28 10.268 4.311 1.797
270 1HD1 LEU 28 HD11 LEU 28 12.016 5.801 0.036
271 2HD1 LEU 28 HD12 LEU 28 12.285 5.233 1.683
272 3HD1 LEU 28 HD13 LEU 28 11.469 6.771 1.404
273 1HD2 LEU 28 HD21 LEU 28 8.327 5.847 0.583
274 2HD2 LEU 28 HD22 LEU 28 9.496 7.038 1.154
275 3HD2 LEU 28 HD23 LEU 28 8.777 5.895 2.288
276 H LYS 29 HN LYS 29 11.301 2.709 1.657
277 HA LYS 29 HA LYS 29 13.787 3.926 2.209
278 1HB LYS 29 HB2 LYS 29 13.594 3.090 4.419
279 2HB LYS 29 HB1 LYS 29 11.958 3.472 3.910
280 1HG LYS 29 HG2 LYS 29 11.470 1.155 3.531
281 2HG LYS 29 HG1 LYS 29 13.153 0.710 3.833
282 1HD LYS 29 HD2 LYS 29 12.434 2.123 6.098
283 2HD LYS 29 HD1 LYS 29 10.983 1.194 5.710
284 1HE LYS 29 HE2 LYS 29 12.772 -0.741 5.392
285 2HE LYS 29 HE1 LYS 29 13.686 0.262 6.518
286 1HZ LYS 29 HZ1 LYS 29 10.907 -0.260 7.209
287 2HZ LYS 29 HZ2 LYS 29 12.274 -0.186 8.202
288 3HZ LYS 29 HZ3 LYS 29 11.959 -1.583 7.300
289 H ARG 30 HN ARG 30 12.764 0.957 1.001
290 HA ARG 30 HA ARG 30 15.188 -0.476 1.454
291 1HB ARG 30 HB2 ARG 30 12.586 -0.917 0.119
292 2HB ARG 30 HB1 ARG 30 13.909 -1.939 -0.369
293 1HG ARG 30 HG2 ARG 30 13.715 -1.715 2.493
294 2HG ARG 30 HG1 ARG 30 12.208 -2.269 1.781
295 1HD ARG 30 HD2 ARG 30 14.861 -3.499 1.087
296 2HD ARG 30 HD1 ARG 30 13.894 -4.061 2.450
297 HE ARG 30 HE ARG 30 12.445 -3.964 -0.029
298 1HH1 ARG 30 1HH1 ARG 30 14.556 -5.890 1.973
299 2HH1 ARG 30 2HH1 ARG 30 14.042 -7.395 1.286
300 1HH2 ARG 30 1HH2 ARG 30 11.767 -5.941 -0.935
301 2HH2 ARG 30 2HH2 ARG 30 12.459 -7.423 -0.365
302 H TRP 31 HN TRP 31 13.658 1.506 -0.890
303 HA TRP 31 HA TRP 31 15.318 1.062 -3.100
304 1HB TRP 31 HB2 TRP 31 12.946 2.393 -2.432
305 2HB TRP 31 HB1 TRP 31 14.019 3.584 -3.052
306 HD1 TRP 31 HD1 TRP 31 12.078 0.670 -4.030
307 HE1 TRP 31 HE1 TRP 31 12.226 0.359 -6.575
308 HE3 TRP 31 HE3 TRP 31 15.591 3.934 -4.751
309 HZ2 TRP 31 HZ2 TRP 31 13.773 1.482 -8.671
310 HZ3 TRP 31 HZ3 TRP 31 16.488 4.385 -7.059
311 HH2 TRP 31 HH2 TRP 31 15.578 3.155 -8.989
312 H ARG 32 HN ARG 32 15.002 3.369 -0.386
313 HA ARG 32 HA ARG 32 17.092 5.122 -1.070
314 1HB ARG 32 HB2 ARG 32 15.995 4.109 1.518
315 2HB ARG 32 HB1 ARG 32 17.093 5.489 1.410
316 1HG ARG 32 HG2 ARG 32 15.456 6.668 0.052
317 2HG ARG 32 HG1 ARG 32 14.374 5.293 0.140
318 1HD ARG 32 HD2 ARG 32 13.624 6.819 1.763
319 2HD ARG 32 HD1 ARG 32 14.439 5.513 2.617
320 HE ARG 32 HE ARG 32 16.395 7.345 2.315
321 1HH1 ARG 32 1HH1 ARG 32 13.142 7.543 3.562
322 2HH1 ARG 32 2HH1 ARG 32 13.508 8.827 4.664
323 1HH2 ARG 32 1HH2 ARG 32 16.879 9.035 3.765
324 2HH2 ARG 32 2HH2 ARG 32 15.629 9.674 4.779
325 H LEU 33 HN LEU 33 16.890 2.354 0.998
326 HA LEU 33 HA LEU 33 19.462 1.947 1.834
327 1HB LEU 33 HB2 LEU 33 16.956 0.424 1.403
328 2HB LEU 33 HB1 LEU 33 18.367 -0.456 1.838
329 HG LEU 33 HG LEU 33 16.557 0.723 3.506
330 1HD1 LEU 33 HD11 LEU 33 18.356 -1.147 3.830
331 2HD1 LEU 33 HD12 LEU 33 17.757 -0.244 5.221
332 3HD1 LEU 33 HD13 LEU 33 19.312 0.173 4.503
333 1HD2 LEU 33 HD21 LEU 33 17.454 2.588 4.528
334 2HD2 LEU 33 HD22 LEU 33 17.789 2.853 2.815
335 3HD2 LEU 33 HD23 LEU 33 19.067 2.278 3.884
336 H PHE 34 HN PHE 34 17.687 0.851 -0.876
337 HA PHE 34 HA PHE 34 19.680 -0.870 -1.944
338 1HB PHE 34 HB2 PHE 34 17.035 0.017 -2.642
339 2HB PHE 34 HB1 PHE 34 18.037 -0.273 -4.033
340 HD1 PHE 34 HD1 PHE 34 18.215 -1.844 -0.796
341 HD2 PHE 34 HD2 PHE 34 17.110 -2.255 -4.856
342 HE1 PHE 34 HE1 PHE 34 17.932 -4.250 -0.462
343 HE2 PHE 34 HE2 PHE 34 16.808 -4.660 -4.551
344 HZ PHE 34 HZ PHE 34 17.215 -5.692 -2.341
345 H SER 35 HN SER 35 18.940 2.371 -1.917
346 HA SER 35 HA SER 35 20.727 2.974 -4.202
347 1HB SER 35 HB2 SER 35 18.438 4.290 -3.322
348 2HB SER 35 HB1 SER 35 19.764 5.346 -2.838
349 HG SER 35 HG SER 35 18.746 5.316 -5.148
350 H LYS 36 HN LYS 36 20.735 3.040 -0.708
351 HA LYS 36 HA LYS 36 23.068 4.755 -0.599
352 1HB LYS 36 HB2 LYS 36 22.011 3.046 1.641
353 2HB LYS 36 HB1 LYS 36 23.026 4.475 1.769
354 1HG LYS 36 HG2 LYS 36 21.020 5.691 0.681
355 2HG LYS 36 HG1 LYS 36 20.118 4.264 1.193
356 1HD LYS 36 HD2 LYS 36 21.858 5.779 3.100
357 2HD LYS 36 HD1 LYS 36 20.178 6.241 2.802
358 1HE LYS 36 HE2 LYS 36 19.370 4.500 3.959
359 2HE LYS 36 HE1 LYS 36 20.559 3.386 3.281
360 1HZ LYS 36 HZ1 LYS 36 22.084 3.885 4.926
361 2HZ LYS 36 HZ2 LYS 36 20.627 3.913 5.784
362 3HZ LYS 36 HZ3 LYS 36 21.361 5.364 5.317
363 H HIS 37 HN HIS 37 22.295 1.403 -0.336
364 HA HIS 37 HA HIS 37 24.884 0.472 0.342
365 1HB HIS 37 HB2 HIS 37 22.305 -0.673 -0.171
366 2HB HIS 37 HB1 HIS 37 23.517 -1.559 -1.075
367 HD1 HIS 37 HD1 HIS 37 24.454 -3.455 0.203
368 HD2 HIS 37 HD2 HIS 37 23.272 -0.340 2.686
369 HE1 HIS 37 HE1 HIS 37 24.914 -4.252 2.545
370 HE2 HIS 37 HE2 HIS 37 24.121 -2.381 4.035
371 H GLU 38 HN GLU 38 23.213 0.962 -2.717
372 HA GLU 38 HA GLU 38 23.869 0.718 -4.889
373 1HB GLU 38 HB2 GLU 38 26.093 1.856 -5.352
374 2HB GLU 38 HB1 GLU 38 24.876 2.817 -4.527
375 1HG GLU 38 HG2 GLU 38 25.982 2.466 -2.409
376 2HG GLU 38 HG1 GLU 38 27.161 1.401 -3.174
Start of MODEL 19
1 1H VAL 1 HT1 VAL 1 -29.902 2.815 1.829
2 2H VAL 1 HT2 VAL 1 -28.951 3.001 3.246
3 3H VAL 1 HT3 VAL 1 -30.596 2.525 3.370
4 HA VAL 1 HA VAL 1 -30.216 0.445 2.631
5 HB VAL 1 HB VAL 1 -28.003 -0.189 1.566
6 1HG1 VAL 1 HG11 VAL 1 -30.335 0.951 0.465
7 2HG1 VAL 1 HG12 VAL 1 -29.193 -0.148 -0.307
8 3HG1 VAL 1 HG13 VAL 1 -28.971 1.596 -0.447
9 1HG2 VAL 1 HG21 VAL 1 -27.719 2.795 1.619
10 2HG2 VAL 1 HG22 VAL 1 -26.931 1.826 0.374
11 3HG2 VAL 1 HG23 VAL 1 -26.548 1.557 2.074
12 H MET 2 HN MET 2 -28.738 -1.306 3.451
13 HA MET 2 HA MET 2 -27.940 -0.678 6.118
14 1HB MET 2 HB2 MET 2 -28.345 -3.089 4.450
15 2HB MET 2 HB1 MET 2 -27.215 -3.237 5.772
16 1HG MET 2 HG2 MET 2 -30.078 -2.369 5.985
17 2HG MET 2 HG1 MET 2 -29.441 -3.954 6.421
18 1HE MET 2 HE1 MET 2 -30.182 -3.761 9.372
19 2HE MET 2 HE2 MET 2 -31.167 -2.895 8.194
20 3HE MET 2 HE3 MET 2 -30.603 -2.071 9.648
21 HA PRO 3 HA PRO 3 -23.560 -0.536 5.357
22 1HB PRO 3 HB2 PRO 3 -22.565 -1.130 7.723
23 2HB PRO 3 HB1 PRO 3 -23.814 0.110 7.637
24 1HG PRO 3 HG2 PRO 3 -24.121 -2.800 8.290
25 2HG PRO 3 HG1 PRO 3 -24.685 -1.395 9.225
26 1HD PRO 3 HD2 PRO 3 -26.259 -2.762 7.424
27 2HD PRO 3 HD1 PRO 3 -26.499 -1.054 7.849
28 H LYS 4 HN LYS 4 -21.635 -2.394 6.658
29 HA LYS 4 HA LYS 4 -20.646 -4.418 6.414
30 1HB LYS 4 HB2 LYS 4 -23.108 -5.190 6.737
31 2HB LYS 4 HB1 LYS 4 -23.050 -5.514 5.011
32 1HG LYS 4 HG2 LYS 4 -20.859 -6.809 5.646
33 2HG LYS 4 HG1 LYS 4 -21.609 -6.854 7.243
34 1HD LYS 4 HD2 LYS 4 -22.630 -8.703 6.482
35 2HD LYS 4 HD1 LYS 4 -23.691 -7.574 5.637
36 1HE LYS 4 HE2 LYS 4 -22.809 -8.054 3.615
37 2HE LYS 4 HE1 LYS 4 -21.175 -8.233 4.254
38 1HZ LYS 4 HZ1 LYS 4 -22.381 -10.364 5.315
39 2HZ LYS 4 HZ2 LYS 4 -21.554 -10.392 3.840
40 3HZ LYS 4 HZ3 LYS 4 -23.237 -10.231 3.861
41 H GLN 5 HN GLN 5 -22.299 -2.970 3.695
42 HA GLN 5 HA GLN 5 -20.472 -4.289 1.851
43 1HB GLN 5 HB2 GLN 5 -22.218 -4.234 0.445
44 2HB GLN 5 HB1 GLN 5 -23.158 -3.461 1.700
45 1HG GLN 5 HG2 GLN 5 -23.324 -2.194 -0.350
46 2HG GLN 5 HG1 GLN 5 -22.489 -1.287 0.858
47 1HE2 GLN 5 HE21 GLN 5 -21.733 -3.438 -1.782
48 2HE2 GLN 5 HE22 GLN 5 -20.379 -2.531 -2.283
49 H ILE 6 HN ILE 6 -21.147 -1.271 3.296
50 HA ILE 6 HA ILE 6 -19.236 0.150 1.690
51 HB ILE 6 HB ILE 6 -19.780 1.987 3.435
52 1HG1 ILE 6 HG12 ILE 6 -22.027 1.897 4.346
53 2HG1 ILE 6 HG11 ILE 6 -22.269 0.289 3.714
54 1HG2 ILE 6 HG21 ILE 6 -21.606 2.729 2.022
55 2HG2 ILE 6 HG22 ILE 6 -21.773 1.089 1.389
56 3HG2 ILE 6 HG23 ILE 6 -20.302 2.013 1.070
57 1HD1 ILE 6 HD11 ILE 6 -21.524 0.837 6.233
58 2HD1 ILE 6 HD12 ILE 6 -19.940 0.647 5.481
59 3HD1 ILE 6 HD13 ILE 6 -21.118 -0.666 5.407
60 H VAL 7 HN VAL 7 -19.559 -1.504 4.690
61 HA VAL 7 HA VAL 7 -17.278 -0.412 6.014
62 HB VAL 7 HB VAL 7 -19.427 -1.661 6.957
63 1HG1 VAL 7 HG11 VAL 7 -19.008 -3.966 7.547
64 2HG1 VAL 7 HG12 VAL 7 -17.446 -3.923 6.729
65 3HG1 VAL 7 HG13 VAL 7 -18.935 -3.778 5.795
66 1HG2 VAL 7 HG21 VAL 7 -16.766 -2.170 8.218
67 2HG2 VAL 7 HG22 VAL 7 -18.316 -1.872 9.005
68 3HG2 VAL 7 HG23 VAL 7 -17.502 -0.571 8.137
69 H TYR 8 HN TYR 8 -18.153 -3.178 4.111
70 HA TYR 8 HA TYR 8 -15.770 -4.691 4.200
71 1HB TYR 8 HB2 TYR 8 -18.230 -4.924 2.956
72 2HB TYR 8 HB1 TYR 8 -17.126 -4.661 1.610
73 HD1 TYR 8 HD1 TYR 8 -16.756 -6.734 0.623
74 HD2 TYR 8 HD2 TYR 8 -16.661 -6.388 4.842
75 HE1 TYR 8 HE1 TYR 8 -15.959 -9.002 0.788
76 HE2 TYR 8 HE2 TYR 8 -15.867 -8.601 5.030
77 HH TYR 8 HH TYR 8 -14.639 -10.399 2.455
78 H TRP 9 HN TRP 9 -17.052 -2.172 2.099
79 HA TRP 9 HA TRP 9 -14.857 -1.942 0.323
80 1HB TRP 9 HB2 TRP 9 -17.294 -0.470 1.028
81 2HB TRP 9 HB1 TRP 9 -15.959 0.589 0.571
82 HD1 TRP 9 HD1 TRP 9 -18.579 -1.490 -0.856
83 HE1 TRP 9 HE1 TRP 9 -18.213 -1.609 -3.435
84 HE3 TRP 9 HE3 TRP 9 -14.008 0.382 -1.032
85 HZ2 TRP 9 HZ2 TRP 9 -16.206 -0.972 -5.273
86 HZ3 TRP 9 HZ3 TRP 9 -12.852 0.638 -3.210
87 HH2 TRP 9 HH2 TRP 9 -13.968 -0.048 -5.286
88 H LYS 10 HN LYS 10 -16.003 0.051 2.860
89 HA LYS 10 HA LYS 10 -13.910 1.774 3.259
90 1HB LYS 10 HB2 LYS 10 -15.963 2.151 4.392
91 2HB LYS 10 HB1 LYS 10 -15.894 0.584 5.183
92 1HG LYS 10 HG2 LYS 10 -13.598 1.833 6.026
93 2HG LYS 10 HG1 LYS 10 -14.791 3.128 5.991
94 1HD LYS 10 HD2 LYS 10 -15.745 0.609 7.156
95 2HD LYS 10 HD1 LYS 10 -14.442 1.386 8.058
96 1HE LYS 10 HE2 LYS 10 -16.847 2.928 7.140
97 2HE LYS 10 HE1 LYS 10 -16.868 2.006 8.643
98 1HZ LYS 10 HZ1 LYS 10 -14.608 3.367 8.941
99 2HZ LYS 10 HZ2 LYS 10 -16.107 3.939 9.474
100 3HZ LYS 10 HZ3 LYS 10 -15.475 4.473 7.999
101 H GLN 11 HN GLN 11 -14.385 -1.382 4.855
102 HA GLN 11 HA GLN 11 -11.865 -1.186 6.217
103 1HB GLN 11 HB2 GLN 11 -12.344 -3.323 7.106
104 2HB GLN 11 HB1 GLN 11 -13.897 -2.517 6.999
105 1HG GLN 11 HG2 GLN 11 -14.438 -3.736 4.993
106 2HG GLN 11 HG1 GLN 11 -12.839 -4.455 4.962
107 1HE2 GLN 11 HE21 GLN 11 -13.457 -4.475 8.165
108 2HE2 GLN 11 HE22 GLN 11 -14.260 -5.995 8.301
109 H TRP 12 HN TRP 12 -12.423 -1.496 3.111
110 HA TRP 12 HA TRP 12 -10.148 -3.303 2.620
111 1HB TRP 12 HB2 TRP 12 -12.422 -3.803 1.580
112 2HB TRP 12 HB1 TRP 12 -12.178 -2.427 0.575
113 HD1 TRP 12 HD1 TRP 12 -11.356 -5.967 0.831
114 HE1 TRP 12 HE1 TRP 12 -9.684 -6.600 -1.003
115 HE3 TRP 12 HE3 TRP 12 -10.266 -1.379 -0.638
116 HZ2 TRP 12 HZ2 TRP 12 -8.093 -5.246 -2.905
117 HZ3 TRP 12 HZ3 TRP 12 -8.650 -1.004 -2.507
118 HH2 TRP 12 HH2 TRP 12 -7.575 -2.952 -3.623
119 H LEU 13 HN LEU 13 -11.510 -0.100 1.880
120 HA LEU 13 HA LEU 13 -9.027 0.567 0.492
121 1HB LEU 13 HB2 LEU 13 -11.216 1.140 -0.562
122 2HB LEU 13 HB1 LEU 13 -11.554 2.202 0.792
123 HG LEU 13 HG LEU 13 -9.063 3.046 -0.142
124 1HD1 LEU 13 HD11 LEU 13 -9.566 1.636 -2.168
125 2HD1 LEU 13 HD12 LEU 13 -9.250 3.342 -2.481
126 3HD1 LEU 13 HD13 LEU 13 -10.906 2.733 -2.498
127 1HD2 LEU 13 HD21 LEU 13 -10.134 5.075 -0.490
128 2HD2 LEU 13 HD22 LEU 13 -11.171 4.283 0.696
129 3HD2 LEU 13 HD23 LEU 13 -11.637 4.309 -1.005
130 H SER 14 HN SER 14 -10.341 0.709 3.574
131 HA SER 14 HA SER 14 -9.033 3.191 4.275
132 1HB SER 14 HB2 SER 14 -11.192 1.896 5.377
133 2HB SER 14 HB1 SER 14 -9.904 1.457 6.487
134 HG SER 14 HG SER 14 -10.420 4.121 5.677
135 H LEU 15 HN LEU 15 -8.704 -0.246 4.889
136 HA LEU 15 HA LEU 15 -6.214 0.098 6.249
137 1HB LEU 15 HB2 LEU 15 -7.554 -2.425 5.302
138 2HB LEU 15 HB1 LEU 15 -6.264 -2.292 6.477
139 HG LEU 15 HG LEU 15 -8.100 -2.581 7.843
140 1HD1 LEU 15 HD11 LEU 15 -8.052 0.407 7.449
141 2HD1 LEU 15 HD12 LEU 15 -6.913 -0.496 8.452
142 3HD1 LEU 15 HD13 LEU 15 -8.625 -0.454 8.880
143 1HD2 LEU 15 HD21 LEU 15 -9.436 -1.664 5.516
144 2HD2 LEU 15 HD22 LEU 15 -10.050 -0.768 6.914
145 3HD2 LEU 15 HD23 LEU 15 -10.103 -2.532 6.907
146 H ARG 16 HN ARG 16 -7.204 -1.662 3.347
147 HA ARG 16 HA ARG 16 -4.726 -2.316 2.369
148 1HB ARG 16 HB2 ARG 16 -7.257 -1.606 0.981
149 2HB ARG 16 HB1 ARG 16 -5.829 -1.933 0.038
150 1HG ARG 16 HG2 ARG 16 -7.273 -3.787 1.905
151 2HG ARG 16 HG1 ARG 16 -7.091 -3.937 0.156
152 1HD ARG 16 HD2 ARG 16 -4.538 -3.951 0.732
153 2HD ARG 16 HD1 ARG 16 -5.107 -4.435 2.326
154 HE ARG 16 HE ARG 16 -5.691 -5.929 -0.151
155 1HH1 ARG 16 1HH1 ARG 16 -4.967 -5.861 3.274
156 2HH1 ARG 16 2HH1 ARG 16 -4.987 -7.583 3.430
157 1HH2 ARG 16 1HH2 ARG 16 -5.713 -8.187 0.069
158 2HH2 ARG 16 2HH2 ARG 16 -5.409 -8.902 1.617
159 H ASN 17 HN ASN 17 -6.203 0.760 2.428
160 HA ASN 17 HA ASN 17 -4.711 2.110 0.518
161 1HB ASN 17 HB2 ASN 17 -6.566 2.714 2.620
162 2HB ASN 17 HB1 ASN 17 -5.345 3.922 2.524
163 1HD2 ASN 17 HD21 ASN 17 -7.475 5.032 2.013
164 2HD2 ASN 17 HD22 ASN 17 -7.834 5.188 0.338
165 HA PRO 18 HA PRO 18 -1.710 3.875 3.759
166 1HB PRO 18 HB2 PRO 18 -1.905 2.833 6.307
167 2HB PRO 18 HB1 PRO 18 -2.517 4.408 5.795
168 1HG PRO 18 HG2 PRO 18 -3.944 1.800 5.976
169 2HG PRO 18 HG1 PRO 18 -4.490 3.411 6.477
170 1HD PRO 18 HD2 PRO 18 -5.344 2.399 4.198
171 2HD PRO 18 HD1 PRO 18 -4.843 4.095 4.271
172 H ILE 19 HN ILE 19 -2.816 0.665 3.770
173 HA ILE 19 HA ILE 19 -0.377 -0.520 4.700
174 HB ILE 19 HB ILE 19 -2.738 -1.756 3.305
175 1HG1 ILE 19 HG12 ILE 19 -1.881 -1.537 6.184
176 2HG1 ILE 19 HG11 ILE 19 -3.334 -0.890 5.461
177 1HG2 ILE 19 HG21 ILE 19 -1.514 -3.592 3.016
178 2HG2 ILE 19 HG22 ILE 19 -1.343 -3.710 4.766
179 3HG2 ILE 19 HG23 ILE 19 -0.133 -2.849 3.820
180 1HD1 ILE 19 HD11 ILE 19 -3.621 -3.541 4.947
181 2HD1 ILE 19 HD12 ILE 19 -4.315 -2.693 6.329
182 3HD1 ILE 19 HD13 ILE 19 -2.788 -3.560 6.502
183 H LEU 20 HN LEU 20 -1.622 0.349 1.593
184 HA LEU 20 HA LEU 20 0.368 -1.162 0.152
185 1HB LEU 20 HB2 LEU 20 -0.469 -0.210 -1.838
186 2HB LEU 20 HB1 LEU 20 -1.858 -0.539 -0.829
187 HG LEU 20 HG LEU 20 -1.000 2.146 -0.363
188 1HD1 LEU 20 HD11 LEU 20 -0.984 3.146 -2.435
189 2HD1 LEU 20 HD12 LEU 20 -1.798 1.788 -3.213
190 3HD1 LEU 20 HD13 LEU 20 -0.098 1.657 -2.764
191 1HD2 LEU 20 HD21 LEU 20 -3.218 1.089 -0.024
192 2HD2 LEU 20 HD22 LEU 20 -3.448 1.134 -1.773
193 3HD2 LEU 20 HD23 LEU 20 -3.262 2.637 -0.866
194 H VAL 21 HN VAL 21 -0.180 2.075 1.269
195 HA VAL 21 HA VAL 21 2.017 3.421 0.216
196 HB VAL 21 HB VAL 21 0.324 3.585 2.644
197 1HG1 VAL 21 HG11 VAL 21 2.610 5.431 2.087
198 2HG1 VAL 21 HG12 VAL 21 2.625 4.114 3.263
199 3HG1 VAL 21 HG13 VAL 21 1.510 5.472 3.468
200 1HG2 VAL 21 HG21 VAL 21 -0.572 4.354 0.531
201 2HG2 VAL 21 HG22 VAL 21 0.780 5.478 0.347
202 3HG2 VAL 21 HG23 VAL 21 -0.383 5.701 1.657
203 H PHE 22 HN PHE 22 1.403 1.833 3.280
204 HA PHE 22 HA PHE 22 3.828 2.070 4.567
205 1HB PHE 22 HB2 PHE 22 2.299 1.195 5.980
206 2HB PHE 22 HB1 PHE 22 1.402 0.462 4.673
207 HD1 PHE 22 HD1 PHE 22 1.236 -1.656 4.606
208 HD2 PHE 22 HD2 PHE 22 4.628 0.083 6.359
209 HE1 PHE 22 HE1 PHE 22 2.050 -3.912 5.196
210 HE2 PHE 22 HE2 PHE 22 5.497 -2.129 6.961
211 HZ PHE 22 HZ PHE 22 4.204 -4.147 6.359
212 H LEU 23 HN LEU 23 2.750 0.015 2.028
213 HA LEU 23 HA LEU 23 5.072 -1.784 2.071
214 1HB LEU 23 HB2 LEU 23 2.764 -1.379 0.186
215 2HB LEU 23 HB1 LEU 23 4.153 -2.316 -0.322
216 HG LEU 23 HG LEU 23 2.009 -3.421 0.756
217 1HD1 LEU 23 HD11 LEU 23 3.863 -5.070 1.817
218 2HD1 LEU 23 HD12 LEU 23 4.869 -4.111 0.730
219 3HD1 LEU 23 HD13 LEU 23 3.483 -4.998 0.096
220 1HD2 LEU 23 HD21 LEU 23 3.614 -3.430 3.202
221 2HD2 LEU 23 HD22 LEU 23 1.863 -3.398 2.986
222 3HD2 LEU 23 HD23 LEU 23 2.802 -1.909 2.828
223 H LYS 24 HN LYS 24 3.966 0.979 0.455
224 HA LYS 24 HA LYS 24 5.873 1.154 -1.594
225 1HB LYS 24 HB2 LYS 24 3.611 2.555 -0.605
226 2HB LYS 24 HB1 LYS 24 4.856 3.715 -0.917
227 1HG LYS 24 HG2 LYS 24 4.268 3.629 -3.057
228 2HG LYS 24 HG1 LYS 24 4.844 1.960 -3.079
229 1HD LYS 24 HD2 LYS 24 2.725 1.462 -3.628
230 2HD LYS 24 HD1 LYS 24 2.446 1.645 -1.890
231 1HE LYS 24 HE2 LYS 24 1.055 3.337 -2.281
232 2HE LYS 24 HE1 LYS 24 2.339 4.223 -3.101
233 1HZ LYS 24 HZ1 LYS 24 1.513 3.720 -5.105
234 2HZ LYS 24 HZ2 LYS 24 0.075 3.396 -4.276
235 3HZ LYS 24 HZ3 LYS 24 1.121 2.130 -4.679
236 H THR 25 HN THR 25 5.589 2.587 1.563
237 HA THR 25 HA THR 25 7.938 4.121 1.462
238 HB THR 25 HB THR 25 6.306 4.761 3.058
239 HG1 THR 25 HG1 THR 25 8.563 4.719 3.803
240 1HG2 THR 25 HG21 THR 25 6.493 2.197 4.561
241 2HG2 THR 25 HG22 THR 25 5.369 2.358 3.208
242 3HG2 THR 25 HG23 THR 25 5.238 3.436 4.602
243 H ARG 26 HN ARG 26 7.146 0.912 2.780
244 HA ARG 26 HA ARG 26 9.654 0.350 3.908
245 1HB ARG 26 HB2 ARG 26 7.521 -1.363 2.661
246 2HB ARG 26 HB1 ARG 26 8.971 -2.069 3.365
247 1HG ARG 26 HG2 ARG 26 6.732 -0.624 4.720
248 2HG ARG 26 HG1 ARG 26 7.391 -2.214 5.060
249 1HD ARG 26 HD2 ARG 26 9.559 -0.871 5.617
250 2HD ARG 26 HD1 ARG 26 8.438 0.480 5.787
251 HE ARG 26 HE ARG 26 7.571 -1.803 7.255
252 1HH1 ARG 26 1HH1 ARG 26 9.804 0.878 7.342
253 2HH1 ARG 26 2HH1 ARG 26 9.888 0.913 9.071
254 1HH2 ARG 26 1HH2 ARG 26 7.681 -1.757 9.530
255 2HH2 ARG 26 2HH2 ARG 26 8.683 -0.581 10.313
256 H VAL 27 HN VAL 27 8.366 -0.021 0.698
257 HA VAL 27 HA VAL 27 10.637 -1.235 -0.521
258 HB VAL 27 HB VAL 27 7.998 -0.167 -1.295
259 1HG1 VAL 27 HG11 VAL 27 9.202 1.012 -2.902
260 2HG1 VAL 27 HG12 VAL 27 8.592 -0.423 -3.723
261 3HG1 VAL 27 HG13 VAL 27 10.280 -0.345 -3.220
262 1HG2 VAL 27 HG21 VAL 27 9.534 -2.661 -2.001
263 2HG2 VAL 27 HG22 VAL 27 7.878 -2.316 -2.501
264 3HG2 VAL 27 HG23 VAL 27 8.261 -2.509 -0.789
265 H LEU 28 HN LEU 28 9.668 1.950 0.271
266 HA LEU 28 HA LEU 28 11.214 3.353 -1.649
267 1HB LEU 28 HB2 LEU 28 9.908 5.067 -1.038
268 2HB LEU 28 HB1 LEU 28 8.982 3.887 -0.187
269 HG LEU 28 HG LEU 28 10.151 4.410 1.875
270 1HD1 LEU 28 HD11 LEU 28 11.370 6.849 1.429
271 2HD1 LEU 28 HD12 LEU 28 11.915 5.848 0.082
272 3HD1 LEU 28 HD13 LEU 28 12.175 5.311 1.742
273 1HD2 LEU 28 HD21 LEU 28 9.398 7.122 1.131
274 2HD2 LEU 28 HD22 LEU 28 8.679 6.030 2.314
275 3HD2 LEU 28 HD23 LEU 28 8.223 5.912 0.615
276 H LYS 29 HN LYS 29 11.224 2.785 1.766
277 HA LYS 29 HA LYS 29 13.705 4.042 2.278
278 1HB LYS 29 HB2 LYS 29 13.530 3.230 4.516
279 2HB LYS 29 HB1 LYS 29 11.911 3.680 4.006
280 1HG LYS 29 HG2 LYS 29 11.362 1.347 3.612
281 2HG LYS 29 HG1 LYS 29 13.004 0.873 4.056
282 1HD LYS 29 HD2 LYS 29 12.237 2.366 6.212
283 2HD LYS 29 HD1 LYS 29 10.724 1.587 5.748
284 1HE LYS 29 HE2 LYS 29 11.445 -0.463 6.350
285 2HE LYS 29 HE1 LYS 29 13.085 -0.167 5.774
286 1HZ LYS 29 HZ1 LYS 29 12.477 -0.359 8.337
287 2HZ LYS 29 HZ2 LYS 29 12.248 1.305 8.144
288 3HZ LYS 29 HZ3 LYS 29 13.745 0.610 7.774
289 H ARG 30 HN ARG 30 12.688 1.031 1.163
290 HA ARG 30 HA ARG 30 15.126 -0.373 1.655
291 1HB ARG 30 HB2 ARG 30 12.521 -0.883 0.348
292 2HB ARG 30 HB1 ARG 30 13.853 -1.911 -0.101
293 1HG ARG 30 HG2 ARG 30 13.661 -1.583 2.749
294 2HG ARG 30 HG1 ARG 30 12.151 -2.165 2.063
295 1HD ARG 30 HD2 ARG 30 14.640 -3.465 1.122
296 2HD ARG 30 HD1 ARG 30 14.144 -3.803 2.779
297 HE ARG 30 HE ARG 30 11.888 -4.180 1.274
298 1HH1 ARG 30 1HH1 ARG 30 15.119 -5.501 1.282
299 2HH1 ARG 30 2HH1 ARG 30 14.627 -7.039 0.658
300 1HH2 ARG 30 1HH2 ARG 30 11.239 -6.205 0.453
301 2HH2 ARG 30 2HH2 ARG 30 12.425 -7.439 0.188
302 H TRP 31 HN TRP 31 13.552 1.516 -0.741
303 HA TRP 31 HA TRP 31 15.187 1.013 -2.948
304 1HB TRP 31 HB2 TRP 31 12.844 2.390 -2.291
305 2HB TRP 31 HB1 TRP 31 13.928 3.557 -2.939
306 HD1 TRP 31 HD1 TRP 31 11.938 0.657 -3.857
307 HE1 TRP 31 HE1 TRP 31 12.072 0.297 -6.396
308 HE3 TRP 31 HE3 TRP 31 15.501 3.849 -4.651
309 HZ2 TRP 31 HZ2 TRP 31 13.628 1.355 -8.518
310 HZ3 TRP 31 HZ3 TRP 31 16.398 4.241 -6.970
311 HH2 TRP 31 HH2 TRP 31 15.460 2.991 -8.874
312 H ARG 32 HN ARG 32 14.952 3.377 -0.278
313 HA ARG 32 HA ARG 32 17.052 5.101 -1.029
314 1HB ARG 32 HB2 ARG 32 16.011 4.113 1.588
315 2HB ARG 32 HB1 ARG 32 17.114 5.486 1.447
316 1HG ARG 32 HG2 ARG 32 15.450 6.675 0.137
317 2HG ARG 32 HG1 ARG 32 14.362 5.308 0.244
318 1HD ARG 32 HD2 ARG 32 13.564 6.564 1.954
319 2HD ARG 32 HD1 ARG 32 14.753 5.586 2.803
320 HE ARG 32 HE ARG 32 16.179 7.759 2.132
321 1HH1 ARG 32 1HH1 ARG 32 13.058 7.405 3.656
322 2HH1 ARG 32 2HH1 ARG 32 13.189 8.881 4.551
323 1HH2 ARG 32 1HH2 ARG 32 16.348 9.704 3.308
324 2HH2 ARG 32 2HH2 ARG 32 15.055 10.186 4.354
325 H LEU 33 HN LEU 33 16.838 2.263 0.926
326 HA LEU 33 HA LEU 33 19.456 1.895 1.759
327 1HB LEU 33 HB2 LEU 33 16.926 0.385 1.445
328 2HB LEU 33 HB1 LEU 33 18.335 -0.474 1.909
329 HG LEU 33 HG LEU 33 16.551 0.789 3.538
330 1HD1 LEU 33 HD11 LEU 33 17.681 -0.249 5.195
331 2HD1 LEU 33 HD12 LEU 33 19.228 0.437 4.701
332 3HD1 LEU 33 HD13 LEU 33 18.580 -0.971 3.860
333 1HD2 LEU 33 HD21 LEU 33 17.630 2.911 2.761
334 2HD2 LEU 33 HD22 LEU 33 19.067 2.404 3.651
335 3HD2 LEU 33 HD23 LEU 33 17.549 2.682 4.510
336 H PHE 34 HN PHE 34 17.562 0.799 -0.868
337 HA PHE 34 HA PHE 34 19.523 -0.985 -1.953
338 1HB PHE 34 HB2 PHE 34 16.811 -0.206 -2.516
339 2HB PHE 34 HB1 PHE 34 17.734 -0.532 -3.953
340 HD1 PHE 34 HD1 PHE 34 16.836 -2.586 -4.624
341 HD2 PHE 34 HD2 PHE 34 18.158 -1.928 -0.664
342 HE1 PHE 34 HE1 PHE 34 16.638 -4.981 -4.181
343 HE2 PHE 34 HE2 PHE 34 17.973 -4.322 -0.188
344 HZ PHE 34 HZ PHE 34 17.202 -5.881 -1.948
345 H SER 35 HN SER 35 18.781 2.241 -1.998
346 HA SER 35 HA SER 35 20.345 2.762 -4.464
347 1HB SER 35 HB2 SER 35 18.132 4.113 -3.399
348 2HB SER 35 HB1 SER 35 19.500 5.187 -3.131
349 HG SER 35 HG SER 35 18.699 4.032 -5.592
350 H LYS 36 HN LYS 36 20.509 3.192 -0.987
351 HA LYS 36 HA LYS 36 22.828 4.861 -1.072
352 1HB LYS 36 HB2 LYS 36 22.874 4.704 1.282
353 2HB LYS 36 HB1 LYS 36 21.186 4.746 0.821
354 1HG LYS 36 HG2 LYS 36 21.252 3.151 2.486
355 2HG LYS 36 HG1 LYS 36 21.282 2.188 1.014
356 1HD LYS 36 HD2 LYS 36 23.966 2.774 1.638
357 2HD LYS 36 HD1 LYS 36 23.191 2.310 3.152
358 1HE LYS 36 HE2 LYS 36 22.572 0.628 0.808
359 2HE LYS 36 HE1 LYS 36 24.230 0.548 1.402
360 1HZ LYS 36 HZ1 LYS 36 23.319 -1.010 2.735
361 2HZ LYS 36 HZ2 LYS 36 21.762 -0.353 2.657
362 3HZ LYS 36 HZ3 LYS 36 22.916 0.332 3.685
363 H HIS 37 HN HIS 37 22.278 1.544 -1.334
364 HA HIS 37 HA HIS 37 24.889 0.680 -0.537
365 1HB HIS 37 HB2 HIS 37 23.670 -1.150 -0.256
366 2HB HIS 37 HB1 HIS 37 22.324 -0.510 -1.129
367 HD1 HIS 37 HD1 HIS 37 25.141 -2.900 -1.428
368 HD2 HIS 37 HD2 HIS 37 22.217 -1.208 -3.838
369 HE1 HIS 37 HE1 HIS 37 25.087 -4.321 -3.504
370 HE2 HIS 37 HE2 HIS 37 23.233 -3.344 -4.906
371 H GLU 38 HN GLU 38 23.091 0.542 -3.570
372 HA GLU 38 HA GLU 38 23.784 0.320 -5.742
373 1HB GLU 38 HB2 GLU 38 25.422 2.198 -6.380
374 2HB GLU 38 HB1 GLU 38 23.856 2.650 -5.724
375 1HG GLU 38 HG2 GLU 38 24.854 3.036 -3.547
376 2HG GLU 38 HG1 GLU 38 26.426 2.528 -4.164
Start of MODEL 20
1 1H VAL 1 HT1 VAL 1 -30.581 1.724 3.847
2 2H VAL 1 HT2 VAL 1 -29.866 1.225 5.326
3 3H VAL 1 HT3 VAL 1 -31.236 0.395 4.709
4 HA VAL 1 HA VAL 1 -30.088 -0.657 3.116
5 HB VAL 1 HB VAL 1 -27.737 0.089 2.479
6 1HG1 VAL 1 HG11 VAL 1 -29.527 2.297 1.702
7 2HG1 VAL 1 HG12 VAL 1 -30.142 0.670 1.412
8 3HG1 VAL 1 HG13 VAL 1 -28.608 1.172 0.702
9 1HG2 VAL 1 HG21 VAL 1 -27.110 2.370 2.924
10 2HG2 VAL 1 HG22 VAL 1 -27.418 1.553 4.456
11 3HG2 VAL 1 HG23 VAL 1 -28.620 2.657 3.789
12 H MET 2 HN MET 2 -28.655 -2.385 3.381
13 HA MET 2 HA MET 2 -27.906 -2.924 6.080
14 1HB MET 2 HB2 MET 2 -28.072 -4.380 3.508
15 2HB MET 2 HB1 MET 2 -26.925 -4.987 4.677
16 1HG MET 2 HG2 MET 2 -29.860 -4.576 5.140
17 2HG MET 2 HG1 MET 2 -29.064 -6.122 4.856
18 1HE MET 2 HE1 MET 2 -30.154 -4.489 8.704
19 2HE MET 2 HE2 MET 2 -30.735 -4.165 7.071
20 3HE MET 2 HE3 MET 2 -29.446 -3.178 7.760
21 HA PRO 3 HA PRO 3 -23.617 -1.829 5.550
22 1HB PRO 3 HB2 PRO 3 -22.726 -2.491 7.933
23 2HB PRO 3 HB1 PRO 3 -24.135 -1.434 7.848
24 1HG PRO 3 HG2 PRO 3 -24.050 -4.404 8.235
25 2HG PRO 3 HG1 PRO 3 -24.891 -3.190 9.226
26 1HD PRO 3 HD2 PRO 3 -26.083 -4.606 7.171
27 2HD PRO 3 HD1 PRO 3 -26.639 -3.018 7.737
28 H LYS 4 HN LYS 4 -21.549 -3.500 6.826
29 HA LYS 4 HA LYS 4 -20.256 -5.332 6.504
30 1HB LYS 4 HB2 LYS 4 -22.573 -6.479 6.703
31 2HB LYS 4 HB1 LYS 4 -22.448 -6.669 4.961
32 1HG LYS 4 HG2 LYS 4 -20.292 -7.609 6.825
33 2HG LYS 4 HG1 LYS 4 -21.679 -8.614 6.402
34 1HD LYS 4 HD2 LYS 4 -20.650 -7.559 3.989
35 2HD LYS 4 HD1 LYS 4 -19.275 -8.148 4.926
36 1HE LYS 4 HE2 LYS 4 -19.962 -10.317 4.830
37 2HE LYS 4 HE1 LYS 4 -21.671 -9.887 4.781
38 1HZ LYS 4 HZ1 LYS 4 -20.315 -10.774 2.673
39 2HZ LYS 4 HZ2 LYS 4 -20.110 -9.110 2.462
40 3HZ LYS 4 HZ3 LYS 4 -21.667 -9.765 2.550
41 H GLN 5 HN GLN 5 -22.017 -3.985 3.789
42 HA GLN 5 HA GLN 5 -19.990 -4.948 1.945
43 1HB GLN 5 HB2 GLN 5 -21.730 -4.995 0.514
44 2HB GLN 5 HB1 GLN 5 -22.753 -4.323 1.766
45 1HG GLN 5 HG2 GLN 5 -23.051 -2.843 0.074
46 2HG GLN 5 HG1 GLN 5 -21.803 -2.043 0.992
47 1HE2 GLN 5 HE21 GLN 5 -19.717 -3.768 -0.013
48 2HE2 GLN 5 HE22 GLN 5 -19.515 -3.345 -1.654
49 H ILE 6 HN ILE 6 -21.010 -2.149 3.636
50 HA ILE 6 HA ILE 6 -19.275 -0.386 2.178
51 HB ILE 6 HB ILE 6 -19.962 1.194 4.119
52 1HG1 ILE 6 HG12 ILE 6 -22.184 0.793 5.010
53 2HG1 ILE 6 HG11 ILE 6 -22.271 -0.758 4.215
54 1HG2 ILE 6 HG21 ILE 6 -20.504 1.414 1.770
55 2HG2 ILE 6 HG22 ILE 6 -21.858 1.905 2.793
56 3HG2 ILE 6 HG23 ILE 6 -21.879 0.331 1.990
57 1HD1 ILE 6 HD11 ILE 6 -19.972 -0.359 6.009
58 2HD1 ILE 6 HD12 ILE 6 -21.020 -1.764 5.804
59 3HD1 ILE 6 HD13 ILE 6 -21.557 -0.398 6.780
60 H VAL 7 HN VAL 7 -19.370 -2.313 5.045
61 HA VAL 7 HA VAL 7 -17.141 -1.126 6.383
62 HB VAL 7 HB VAL 7 -19.143 -2.627 7.289
63 1HG1 VAL 7 HG11 VAL 7 -18.531 -4.598 5.950
64 2HG1 VAL 7 HG12 VAL 7 -18.509 -4.926 7.683
65 3HG1 VAL 7 HG13 VAL 7 -16.995 -4.686 6.811
66 1HG2 VAL 7 HG21 VAL 7 -16.435 -3.062 8.460
67 2HG2 VAL 7 HG22 VAL 7 -17.981 -2.844 9.281
68 3HG2 VAL 7 HG23 VAL 7 -17.214 -1.482 8.468
69 H TYR 8 HN TYR 8 -17.852 -3.801 4.300
70 HA TYR 8 HA TYR 8 -15.371 -5.122 4.161
71 1HB TYR 8 HB2 TYR 8 -17.894 -5.136 2.740
72 2HB TYR 8 HB1 TYR 8 -16.548 -5.201 1.606
73 HD1 TYR 8 HD1 TYR 8 -14.550 -6.649 3.100
74 HD2 TYR 8 HD2 TYR 8 -18.722 -7.318 2.843
75 HE1 TYR 8 HE1 TYR 8 -14.197 -8.908 3.682
76 HE2 TYR 8 HE2 TYR 8 -18.388 -9.635 3.412
77 HH TYR 8 HH TYR 8 -15.403 -11.159 3.334
78 H TRP 9 HN TRP 9 -16.938 -2.557 2.328
79 HA TRP 9 HA TRP 9 -14.881 -1.913 0.510
80 1HB TRP 9 HB2 TRP 9 -17.359 -0.712 1.554
81 2HB TRP 9 HB1 TRP 9 -16.125 0.481 1.141
82 HD1 TRP 9 HD1 TRP 9 -18.803 -1.433 -0.360
83 HE1 TRP 9 HE1 TRP 9 -18.585 -1.267 -2.951
84 HE3 TRP 9 HE3 TRP 9 -14.220 0.438 -0.609
85 HZ2 TRP 9 HZ2 TRP 9 -16.692 -0.434 -4.825
86 HZ3 TRP 9 HZ3 TRP 9 -13.206 0.932 -2.807
87 HH2 TRP 9 HH2 TRP 9 -14.452 0.485 -4.876
88 H LYS 10 HN LYS 10 -16.014 -0.333 3.329
89 HA LYS 10 HA LYS 10 -14.043 1.485 3.885
90 1HB LYS 10 HB2 LYS 10 -15.767 1.746 5.359
91 2HB LYS 10 HB1 LYS 10 -16.069 0.028 5.456
92 1HG LYS 10 HG2 LYS 10 -15.324 1.250 7.569
93 2HG LYS 10 HG1 LYS 10 -14.547 -0.283 7.175
94 1HD LYS 10 HD2 LYS 10 -12.551 0.669 6.956
95 2HD LYS 10 HD1 LYS 10 -13.195 1.993 5.984
96 1HE LYS 10 HE2 LYS 10 -13.097 1.777 8.988
97 2HE LYS 10 HE1 LYS 10 -12.275 2.954 7.964
98 1HZ LYS 10 HZ1 LYS 10 -14.733 3.495 7.273
99 2HZ LYS 10 HZ2 LYS 10 -14.044 4.181 8.655
100 3HZ LYS 10 HZ3 LYS 10 -15.078 2.852 8.800
101 H GLN 11 HN GLN 11 -14.158 -1.842 5.128
102 HA GLN 11 HA GLN 11 -11.557 -1.627 6.295
103 1HB GLN 11 HB2 GLN 11 -11.827 -3.885 6.961
104 2HB GLN 11 HB1 GLN 11 -13.419 -3.162 7.085
105 1HG GLN 11 HG2 GLN 11 -14.080 -4.177 5.000
106 2HG GLN 11 HG1 GLN 11 -12.462 -4.809 4.761
107 1HE2 GLN 11 HE21 GLN 11 -12.805 -5.192 7.982
108 2HE2 GLN 11 HE22 GLN 11 -13.528 -6.758 8.018
109 H TRP 12 HN TRP 12 -12.319 -1.636 3.222
110 HA TRP 12 HA TRP 12 -9.995 -3.241 2.376
111 1HB TRP 12 HB2 TRP 12 -12.309 -3.771 1.448
112 2HB TRP 12 HB1 TRP 12 -12.223 -2.282 0.590
113 HD1 TRP 12 HD1 TRP 12 -11.181 -5.767 0.389
114 HE1 TRP 12 HE1 TRP 12 -9.617 -6.088 -1.614
115 HE3 TRP 12 HE3 TRP 12 -10.474 -0.984 -0.632
116 HZ2 TRP 12 HZ2 TRP 12 -8.256 -4.435 -3.457
117 HZ3 TRP 12 HZ3 TRP 12 -9.028 -0.306 -2.552
118 HH2 TRP 12 HH2 TRP 12 -7.928 -2.048 -3.948
119 H LEU 13 HN LEU 13 -11.574 -0.064 2.103
120 HA LEU 13 HA LEU 13 -9.238 0.880 0.619
121 1HB LEU 13 HB2 LEU 13 -10.539 2.499 -0.276
122 2HB LEU 13 HB1 LEU 13 -11.827 1.394 0.151
123 HG LEU 13 HG LEU 13 -12.600 3.488 0.834
124 1HD1 LEU 13 HD11 LEU 13 -11.528 2.961 3.494
125 2HD1 LEU 13 HD12 LEU 13 -12.228 1.549 2.709
126 3HD1 LEU 13 HD13 LEU 13 -13.194 3.003 2.924
127 1HD2 LEU 13 HD21 LEU 13 -11.351 5.246 1.461
128 2HD2 LEU 13 HD22 LEU 13 -10.027 4.297 0.787
129 3HD2 LEU 13 HD23 LEU 13 -10.331 4.277 2.524
130 H SER 14 HN SER 14 -10.381 0.691 3.777
131 HA SER 14 HA SER 14 -9.085 3.107 4.653
132 1HB SER 14 HB2 SER 14 -11.105 1.576 5.743
133 2HB SER 14 HB1 SER 14 -9.718 1.121 6.720
134 HG SER 14 HG SER 14 -10.087 2.914 7.740
135 H LEU 15 HN LEU 15 -8.569 -0.361 4.891
136 HA LEU 15 HA LEU 15 -6.017 -0.029 6.118
137 1HB LEU 15 HB2 LEU 15 -7.291 -2.505 4.978
138 2HB LEU 15 HB1 LEU 15 -5.927 -2.431 6.072
139 HG LEU 15 HG LEU 15 -7.645 -2.971 7.513
140 1HD1 LEU 15 HD11 LEU 15 -8.188 -1.004 8.820
141 2HD1 LEU 15 HD12 LEU 15 -7.762 0.041 7.462
142 3HD1 LEU 15 HD13 LEU 15 -6.512 -0.906 8.275
143 1HD2 LEU 15 HD21 LEU 15 -9.185 -1.868 5.402
144 2HD2 LEU 15 HD22 LEU 15 -9.737 -1.172 6.934
145 3HD2 LEU 15 HD23 LEU 15 -9.708 -2.925 6.721
146 H ARG 16 HN ARG 16 -7.109 -1.517 3.104
147 HA ARG 16 HA ARG 16 -4.679 -1.945 1.915
148 1HB ARG 16 HB2 ARG 16 -7.317 -1.205 0.763
149 2HB ARG 16 HB1 ARG 16 -5.939 -1.356 -0.294
150 1HG ARG 16 HG2 ARG 16 -7.182 -3.474 1.431
151 2HG ARG 16 HG1 ARG 16 -7.110 -3.418 -0.330
152 1HD ARG 16 HD2 ARG 16 -4.531 -3.380 0.065
153 2HD ARG 16 HD1 ARG 16 -4.957 -4.040 1.643
154 HE ARG 16 HE ARG 16 -4.953 -5.427 -0.837
155 1HH1 ARG 16 1HH1 ARG 16 -6.631 -5.217 2.215
156 2HH1 ARG 16 2HH1 ARG 16 -7.184 -6.857 2.167
157 1HH2 ARG 16 1HH2 ARG 16 -5.674 -7.585 -0.900
158 2HH2 ARG 16 2HH2 ARG 16 -6.640 -8.202 0.399
159 H ASN 17 HN ASN 17 -6.271 1.040 2.386
160 HA ASN 17 HA ASN 17 -4.929 2.641 0.560
161 1HB ASN 17 HB2 ASN 17 -6.694 2.945 2.809
162 2HB ASN 17 HB1 ASN 17 -5.537 4.215 2.768
163 1HD2 ASN 17 HD21 ASN 17 -7.774 5.226 2.481
164 2HD2 ASN 17 HD22 ASN 17 -8.221 5.533 0.848
165 HA PRO 18 HA PRO 18 -1.770 4.204 3.737
166 1HB PRO 18 HB2 PRO 18 -1.799 2.990 6.217
167 2HB PRO 18 HB1 PRO 18 -2.447 4.590 5.848
168 1HG PRO 18 HG2 PRO 18 -3.851 1.968 5.949
169 2HG PRO 18 HG1 PRO 18 -4.372 3.542 6.581
170 1HD PRO 18 HD2 PRO 18 -5.361 2.665 4.302
171 2HD PRO 18 HD1 PRO 18 -4.866 4.357 4.449
172 H ILE 19 HN ILE 19 -2.822 0.978 3.576
173 HA ILE 19 HA ILE 19 -0.331 -0.220 4.306
174 HB ILE 19 HB ILE 19 -2.749 -1.372 2.941
175 1HG1 ILE 19 HG12 ILE 19 -1.704 -1.383 5.764
176 2HG1 ILE 19 HG11 ILE 19 -3.231 -0.751 5.197
177 1HG2 ILE 19 HG21 ILE 19 -0.105 -2.471 3.160
178 2HG2 ILE 19 HG22 ILE 19 -1.535 -3.161 2.396
179 3HG2 ILE 19 HG23 ILE 19 -1.233 -3.436 4.110
180 1HD1 ILE 19 HD11 ILE 19 -4.045 -2.983 4.768
181 2HD1 ILE 19 HD12 ILE 19 -3.482 -2.850 6.434
182 3HD1 ILE 19 HD13 ILE 19 -2.484 -3.664 5.228
183 H LEU 20 HN LEU 20 -1.720 0.886 1.335
184 HA LEU 20 HA LEU 20 0.198 -0.489 -0.319
185 1HB LEU 20 HB2 LEU 20 -0.675 0.689 -2.174
186 2HB LEU 20 HB1 LEU 20 -2.041 0.262 -1.167
187 HG LEU 20 HG LEU 20 -1.145 2.874 -0.433
188 1HD1 LEU 20 HD11 LEU 20 -0.298 3.535 -2.426
189 2HD1 LEU 20 HD12 LEU 20 -2.006 3.758 -2.802
190 3HD1 LEU 20 HD13 LEU 20 -1.171 2.297 -3.329
191 1HD2 LEU 20 HD21 LEU 20 -3.369 1.781 -0.174
192 2HD2 LEU 20 HD22 LEU 20 -3.634 2.068 -1.896
193 3HD2 LEU 20 HD23 LEU 20 -3.408 3.431 -0.797
194 H VAL 21 HN VAL 21 -0.261 2.643 1.096
195 HA VAL 21 HA VAL 21 1.933 4.036 0.107
196 HB VAL 21 HB VAL 21 0.286 4.015 2.577
197 1HG1 VAL 21 HG11 VAL 21 1.523 5.816 3.537
198 2HG1 VAL 21 HG12 VAL 21 2.627 5.835 2.158
199 3HG1 VAL 21 HG13 VAL 21 2.588 4.438 3.238
200 1HG2 VAL 21 HG21 VAL 21 0.758 6.090 0.445
201 2HG2 VAL 21 HG22 VAL 21 -0.371 6.235 1.796
202 3HG2 VAL 21 HG23 VAL 21 -0.620 4.991 0.563
203 H PHE 22 HN PHE 22 1.397 2.202 3.045
204 HA PHE 22 HA PHE 22 3.894 2.295 4.236
205 1HB PHE 22 HB2 PHE 22 2.398 1.372 5.657
206 2HB PHE 22 HB1 PHE 22 1.426 0.752 4.349
207 HD1 PHE 22 HD1 PHE 22 4.696 0.183 5.881
208 HD2 PHE 22 HD2 PHE 22 1.211 -1.360 4.123
209 HE1 PHE 22 HE1 PHE 22 5.538 -2.086 6.287
210 HE2 PHE 22 HE2 PHE 22 1.995 -3.665 4.521
211 HZ PHE 22 HZ PHE 22 4.180 -4.026 5.586
212 H LEU 23 HN LEU 23 2.629 0.468 1.618
213 HA LEU 23 HA LEU 23 4.856 -1.425 1.420
214 1HB LEU 23 HB2 LEU 23 2.477 -0.779 -0.291
215 2HB LEU 23 HB1 LEU 23 3.797 -1.703 -0.973
216 HG LEU 23 HG LEU 23 1.684 -2.834 0.162
217 1HD1 LEU 23 HD11 LEU 23 3.028 -4.388 -0.768
218 2HD1 LEU 23 HD12 LEU 23 3.553 -4.639 0.897
219 3HD1 LEU 23 HD13 LEU 23 4.499 -3.613 -0.182
220 1HD2 LEU 23 HD21 LEU 23 2.746 -1.561 2.293
221 2HD2 LEU 23 HD22 LEU 23 3.467 -3.167 2.451
222 3HD2 LEU 23 HD23 LEU 23 1.711 -2.990 2.389
223 H LYS 24 HN LYS 24 3.867 1.529 0.150
224 HA LYS 24 HA LYS 24 5.689 1.778 -1.982
225 1HB LYS 24 HB2 LYS 24 3.471 3.144 -0.835
226 2HB LYS 24 HB1 LYS 24 4.724 4.303 -1.136
227 1HG LYS 24 HG2 LYS 24 4.003 4.339 -3.238
228 2HG LYS 24 HG1 LYS 24 4.646 2.701 -3.385
229 1HD LYS 24 HD2 LYS 24 2.370 2.081 -2.224
230 2HD LYS 24 HD1 LYS 24 1.850 3.601 -2.961
231 1HE LYS 24 HE2 LYS 24 3.363 1.785 -4.719
232 2HE LYS 24 HE1 LYS 24 1.778 1.202 -4.211
233 1HZ LYS 24 HZ1 LYS 24 1.115 2.395 -5.983
234 2HZ LYS 24 HZ2 LYS 24 2.466 3.413 -5.964
235 3HZ LYS 24 HZ3 LYS 24 1.182 3.696 -4.902
236 H THR 25 HN THR 25 5.523 3.014 1.261
237 HA THR 25 HA THR 25 7.932 4.494 1.135
238 HB THR 25 HB THR 25 6.306 5.238 2.696
239 HG1 THR 25 HG1 THR 25 7.478 5.266 4.559
240 1HG2 THR 25 HG21 THR 25 5.067 3.999 4.119
241 2HG2 THR 25 HG22 THR 25 6.351 2.822 4.390
242 3HG2 THR 25 HG23 THR 25 5.389 2.753 2.911
243 H ARG 26 HN ARG 26 6.973 1.365 2.559
244 HA ARG 26 HA ARG 26 9.428 0.707 3.726
245 1HB ARG 26 HB2 ARG 26 7.239 -0.924 2.478
246 2HB ARG 26 HB1 ARG 26 8.643 -1.689 3.213
247 1HG ARG 26 HG2 ARG 26 6.465 -0.111 4.523
248 2HG ARG 26 HG1 ARG 26 7.039 -1.727 4.893
249 1HD ARG 26 HD2 ARG 26 9.243 -0.580 5.526
250 2HD ARG 26 HD1 ARG 26 8.302 0.912 5.517
251 HE ARG 26 HE ARG 26 7.301 -1.289 7.144
252 1HH1 ARG 26 1HH1 ARG 26 8.997 1.767 7.025
253 2HH1 ARG 26 2HH1 ARG 26 8.767 2.094 8.709
254 1HH2 ARG 26 1HH2 ARG 26 7.007 -0.854 9.353
255 2HH2 ARG 26 2HH2 ARG 26 7.642 0.609 10.029
256 H VAL 27 HN VAL 27 8.229 0.360 0.476
257 HA VAL 27 HA VAL 27 10.491 -1.016 -0.582
258 HB VAL 27 HB VAL 27 7.952 0.163 -1.544
259 1HG1 VAL 27 HG11 VAL 27 9.303 1.203 -3.120
260 2HG1 VAL 27 HG12 VAL 27 8.658 -0.230 -3.921
261 3HG1 VAL 27 HG13 VAL 27 10.320 -0.221 -3.326
262 1HG2 VAL 27 HG21 VAL 27 7.758 -2.023 -2.661
263 2HG2 VAL 27 HG22 VAL 27 8.058 -2.172 -0.928
264 3HG2 VAL 27 HG23 VAL 27 9.369 -2.444 -2.078
265 H LEU 28 HN LEU 28 9.653 2.230 0.067
266 HA LEU 28 HA LEU 28 11.353 3.511 -1.803
267 1HB LEU 28 HB2 LEU 28 10.174 5.330 -1.182
268 2HB LEU 28 HB1 LEU 28 9.146 4.216 -0.358
269 HG LEU 28 HG LEU 28 10.341 4.610 1.722
270 1HD1 LEU 28 HD11 LEU 28 12.429 5.363 1.624
271 2HD1 LEU 28 HD12 LEU 28 11.746 6.960 1.316
272 3HD1 LEU 28 HD13 LEU 28 12.227 5.931 -0.032
273 1HD2 LEU 28 HD21 LEU 28 8.947 6.286 2.163
274 2HD2 LEU 28 HD22 LEU 28 8.565 6.305 0.442
275 3HD2 LEU 28 HD23 LEU 28 9.807 7.381 1.081
276 H LYS 29 HN LYS 29 11.215 2.938 1.605
277 HA LYS 29 HA LYS 29 13.801 3.895 2.199
278 1HB LYS 29 HB2 LYS 29 13.466 3.031 4.414
279 2HB LYS 29 HB1 LYS 29 11.951 3.738 3.875
280 1HG LYS 29 HG2 LYS 29 11.222 1.418 3.239
281 2HG LYS 29 HG1 LYS 29 12.654 0.824 4.080
282 1HD LYS 29 HD2 LYS 29 10.393 2.433 5.265
283 2HD LYS 29 HD1 LYS 29 10.741 0.728 5.556
284 1HE LYS 29 HE2 LYS 29 11.838 1.484 7.361
285 2HE LYS 29 HE1 LYS 29 13.115 1.873 6.209
286 1HZ LYS 29 HZ1 LYS 29 12.889 3.894 7.157
287 2HZ LYS 29 HZ2 LYS 29 11.281 3.644 7.618
288 3HZ LYS 29 HZ3 LYS 29 11.647 4.062 6.020
289 H ARG 30 HN ARG 30 12.538 1.067 0.868
290 HA ARG 30 HA ARG 30 14.774 -0.620 1.499
291 1HB ARG 30 HB2 ARG 30 13.510 -2.292 0.595
292 2HB ARG 30 HB1 ARG 30 12.214 -1.167 0.824
293 1HG ARG 30 HG2 ARG 30 11.805 -1.137 -1.341
294 2HG ARG 30 HG1 ARG 30 13.459 -0.718 -1.715
295 1HD ARG 30 HD2 ARG 30 14.074 -2.885 -2.089
296 2HD ARG 30 HD1 ARG 30 12.882 -3.526 -0.960
297 HE ARG 30 HE ARG 30 11.745 -2.345 -3.328
298 1HH1 ARG 30 1HH1 ARG 30 13.030 -5.260 -1.901
299 2HH1 ARG 30 2HH1 ARG 30 12.191 -6.312 -2.990
300 1HH2 ARG 30 1HH2 ARG 30 10.641 -3.731 -4.764
301 2HH2 ARG 30 2HH2 ARG 30 10.837 -5.446 -4.616
302 H TRP 31 HN TRP 31 13.516 1.450 -0.913
303 HA TRP 31 HA TRP 31 15.280 1.004 -3.025
304 1HB TRP 31 HB2 TRP 31 12.984 2.477 -2.421
305 2HB TRP 31 HB1 TRP 31 14.167 3.625 -2.906
306 HD1 TRP 31 HD1 TRP 31 12.077 0.938 -4.171
307 HE1 TRP 31 HE1 TRP 31 12.367 0.750 -6.717
308 HE3 TRP 31 HE3 TRP 31 15.882 3.926 -4.490
309 HZ2 TRP 31 HZ2 TRP 31 14.129 1.849 -8.647
310 HZ3 TRP 31 HZ3 TRP 31 16.961 4.423 -6.709
311 HH2 TRP 31 HH2 TRP 31 16.081 3.378 -8.759
312 H ARG 32 HN ARG 32 15.025 3.247 -0.281
313 HA ARG 32 HA ARG 32 17.267 4.859 -0.753
314 1HB ARG 32 HB2 ARG 32 15.945 3.817 1.720
315 2HB ARG 32 HB1 ARG 32 17.075 5.177 1.715
316 1HG ARG 32 HG2 ARG 32 14.548 5.173 0.088
317 2HG ARG 32 HG1 ARG 32 14.599 5.722 1.742
318 1HD ARG 32 HD2 ARG 32 16.150 6.765 -0.590
319 2HD ARG 32 HD1 ARG 32 14.827 7.586 0.236
320 HE ARG 32 HE ARG 32 16.604 7.243 2.219
321 1HH1 ARG 32 1HH1 ARG 32 16.955 8.512 -1.016
322 2HH1 ARG 32 2HH1 ARG 32 18.251 9.577 -0.591
323 1HH2 ARG 32 1HH2 ARG 32 18.310 8.645 2.776
324 2HH2 ARG 32 2HH2 ARG 32 19.021 9.652 1.560
325 H LEU 33 HN LEU 33 16.709 1.962 1.062
326 HA LEU 33 HA LEU 33 19.218 1.385 2.081
327 1HB LEU 33 HB2 LEU 33 16.629 0.067 1.499
328 2HB LEU 33 HB1 LEU 33 17.940 -0.919 2.002
329 HG LEU 33 HG LEU 33 16.137 0.375 3.577
330 1HD1 LEU 33 HD11 LEU 33 17.055 -0.858 5.223
331 2HD1 LEU 33 HD12 LEU 33 18.672 -0.223 4.923
332 3HD1 LEU 33 HD13 LEU 33 18.041 -1.532 3.924
333 1HD2 LEU 33 HD21 LEU 33 17.178 2.139 4.720
334 2HD2 LEU 33 HD22 LEU 33 17.420 2.447 2.997
335 3HD2 LEU 33 HD23 LEU 33 18.739 1.794 3.970
336 H PHE 34 HN PHE 34 17.483 0.503 -0.728
337 HA PHE 34 HA PHE 34 19.391 -1.360 -1.746
338 1HB PHE 34 HB2 PHE 34 16.806 -0.328 -2.491
339 2HB PHE 34 HB1 PHE 34 17.818 -0.680 -3.860
340 HD1 PHE 34 HD1 PHE 34 17.857 -2.241 -0.616
341 HD2 PHE 34 HD2 PHE 34 16.793 -2.616 -4.691
342 HE1 PHE 34 HE1 PHE 34 17.438 -4.627 -0.273
343 HE2 PHE 34 HE2 PHE 34 16.354 -4.999 -4.377
344 HZ PHE 34 HZ PHE 34 16.671 -6.038 -2.156
345 H SER 35 HN SER 35 18.872 1.916 -1.709
346 HA SER 35 HA SER 35 20.684 2.424 -4.001
347 1HB SER 35 HB2 SER 35 18.498 3.895 -3.053
348 2HB SER 35 HB1 SER 35 19.912 4.842 -2.603
349 HG SER 35 HG SER 35 19.015 4.073 -5.146
350 H LYS 36 HN LYS 36 20.601 2.618 -0.509
351 HA LYS 36 HA LYS 36 23.068 4.082 -0.348
352 1HB LYS 36 HB2 LYS 36 22.684 4.233 1.890
353 2HB LYS 36 HB1 LYS 36 21.051 3.865 1.362
354 1HG LYS 36 HG2 LYS 36 21.238 1.607 2.054
355 2HG LYS 36 HG1 LYS 36 22.979 1.757 2.304
356 1HD LYS 36 HD2 LYS 36 21.686 1.794 4.414
357 2HD LYS 36 HD1 LYS 36 22.633 3.259 4.155
358 1HE LYS 36 HE2 LYS 36 19.840 3.249 3.163
359 2HE LYS 36 HE1 LYS 36 20.075 3.308 4.909
360 1HZ LYS 36 HZ1 LYS 36 20.883 5.388 4.816
361 2HZ LYS 36 HZ2 LYS 36 20.054 5.462 3.344
362 3HZ LYS 36 HZ3 LYS 36 21.713 5.136 3.363
363 H HIS 37 HN HIS 37 22.150 0.807 -0.551
364 HA HIS 37 HA HIS 37 24.585 -0.296 0.473
365 1HB HIS 37 HB2 HIS 37 22.020 -1.274 -0.421
366 2HB HIS 37 HB1 HIS 37 23.319 -2.221 -1.121
367 HD1 HIS 37 HD1 HIS 37 23.899 -4.173 0.276
368 HD2 HIS 37 HD2 HIS 37 22.578 -0.967 2.565
369 HE1 HIS 37 HE1 HIS 37 23.954 -4.980 2.658
370 HE2 HIS 37 HE2 HIS 37 23.223 -3.000 4.032
371 H GLU 38 HN GLU 38 23.173 0.025 -2.771
372 HA GLU 38 HA GLU 38 24.074 -0.233 -4.851
373 1HB GLU 38 HB2 GLU 38 26.079 1.180 -5.236
374 2HB GLU 38 HB1 GLU 38 24.802 2.006 -4.354
375 1HG GLU 38 HG2 GLU 38 25.980 1.756 -2.287
376 2HG GLU 38 HG1 GLU 38 27.196 0.734 -3.052