Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10612 | 1q2f RC | 5911 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PRO 1 HA PRO 1 -11.715 9.815 3.328
2 1HB PRO 1 1HB PRO 1 -13.851 11.500 3.183
3 2HB PRO 1 2HB PRO 1 -12.825 11.397 4.651
4 1HG PRO 1 1HG PRO 1 -12.601 13.404 2.389
5 2HG PRO 1 2HG PRO 1 -12.707 13.752 4.146
6 1HD PRO 1 1HD PRO 1 -10.305 13.632 2.864
7 2HD PRO 1 2HD PRO 1 -10.491 12.947 4.507
8 HA PRO 2 HA PRO 2 -11.959 9.629 -1.150
9 1HB PRO 2 1HB PRO 2 -12.817 7.048 -1.309
10 2HB PRO 2 2HB PRO 2 -11.141 7.458 -0.817
11 1HG PRO 2 1HG PRO 2 -13.500 6.881 0.997
12 2HG PRO 2 2HG PRO 2 -11.876 6.120 1.049
13 1HD PRO 2 1HD PRO 2 -12.511 8.227 2.658
14 2HD PRO 2 2HD PRO 2 -10.894 8.121 1.898
15 H LEU 3 H LEU 3 -13.982 8.099 -2.354
16 HA LEU 3 HA LEU 3 -16.346 9.733 -1.644
17 1HB LEU 3 1HB LEU 3 -15.180 8.617 -4.094
18 2HB LEU 3 2HB LEU 3 -16.922 8.284 -3.950
19 HG LEU 3 HG LEU 3 -16.894 10.876 -3.155
20 1HD1 LEU 3 1HD1 LEU 3 -15.157 11.425 -5.387
21 2HD1 LEU 3 2HD1 LEU 3 -14.995 11.959 -3.697
22 3HD1 LEU 3 3HD1 LEU 3 -14.277 10.415 -4.215
23 1HD2 LEU 3 1HD2 LEU 3 -17.010 11.142 -5.916
24 2HD2 LEU 3 2HD2 LEU 3 -17.360 9.413 -5.674
25 3HD2 LEU 3 3HD2 LEU 3 -18.363 10.645 -4.871
26 H SER 4 H SER 4 -15.218 7.117 -0.334
27 HA SER 4 HA SER 4 -16.109 5.248 0.639
28 1HB SER 4 1HB SER 4 -18.926 5.723 0.257
29 2HB SER 4 2HB SER 4 -17.962 5.858 1.747
30 HG SER 4 HG SER 4 -17.352 7.960 1.025
31 H GLN 5 H GLN 5 -15.840 3.374 -0.414
32 HA GLN 5 HA GLN 5 -16.574 1.556 -1.678
33 1HB GLN 5 1HB GLN 5 -18.853 2.955 -1.686
34 2HB GLN 5 2HB GLN 5 -18.381 3.235 -3.379
35 1HG GLN 5 1HG GLN 5 -18.680 1.045 -3.964
36 2HG GLN 5 2HG GLN 5 -18.085 0.441 -2.402
37 1HE2 GLN 5 1HE2 GLN 5 -19.544 0.569 -0.523
38 2HE2 GLN 5 2HE2 GLN 5 -21.274 0.481 -0.779
39 H GLU 6 H GLU 6 -16.081 4.757 -3.178
40 HA GLU 6 HA GLU 6 -15.327 3.998 -5.747
41 1HB GLU 6 1HB GLU 6 -15.251 6.318 -4.161
42 2HB GLU 6 2HB GLU 6 -13.567 6.058 -4.677
43 1HG GLU 6 1HG GLU 6 -15.006 5.493 -6.979
44 2HG GLU 6 2HG GLU 6 -15.933 6.827 -6.261
45 H THR 7 H THR 7 -13.274 4.206 -2.793
46 HA THR 7 HA THR 7 -11.079 2.900 -4.275
47 HB THR 7 HB THR 7 -10.605 3.396 -1.444
48 HG1 THR 7 1HG THR 7 -11.355 5.614 -3.049
49 1HG2 THR 7 1HG2 THR 7 -9.469 4.744 -3.927
50 2HG2 THR 7 2HG2 THR 7 -8.695 4.585 -2.332
51 3HG2 THR 7 3HG2 THR 7 -8.945 3.145 -3.347
52 H PHE 8 H PHE 8 -11.564 2.408 -0.829
53 HA PHE 8 HA PHE 8 -11.126 0.179 0.033
54 1HB PHE 8 1HB PHE 8 -14.079 0.143 -0.553
55 2HB PHE 8 2HB PHE 8 -13.222 -0.358 0.914
56 HD1 PHE 8 1HD PHE 8 -13.290 2.811 -1.114
57 HD2 PHE 8 2HD PHE 8 -13.818 0.952 2.722
58 HE1 PHE 8 1HE PHE 8 -13.728 5.031 -0.098
59 HE2 PHE 8 2HE PHE 8 -14.256 3.171 3.738
60 HZ PHE 8 HZ PHE 8 -14.212 5.211 2.328
61 H SER 9 H SER 9 -13.660 -0.104 -2.529
62 HA SER 9 HA SER 9 -13.643 -2.721 -3.106
63 1HB SER 9 1HB SER 9 -14.787 -0.877 -4.398
64 2HB SER 9 2HB SER 9 -13.257 -0.623 -5.271
65 HG SER 9 HG SER 9 -13.414 -2.988 -5.683
66 H ASP 10 H ASP 10 -11.220 -0.509 -4.623
67 HA ASP 10 HA ASP 10 -9.470 -2.882 -5.001
68 1HB ASP 10 1HB ASP 10 -8.413 -1.641 -6.752
69 2HB ASP 10 2HB ASP 10 -10.165 -1.449 -6.976
70 H LEU 11 H LEU 11 -9.925 -0.001 -3.148
71 HA LEU 11 HA LEU 11 -7.176 0.593 -2.591
72 1HB LEU 11 1HB LEU 11 -9.450 1.928 -2.196
73 2HB LEU 11 2HB LEU 11 -9.354 1.142 -0.602
74 HG LEU 11 HG LEU 11 -7.481 3.132 -1.872
75 1HD1 LEU 11 1HD1 LEU 11 -7.452 3.629 0.764
76 2HD1 LEU 11 2HD1 LEU 11 -8.775 4.201 -0.280
77 3HD1 LEU 11 3HD1 LEU 11 -8.985 2.726 0.694
78 1HD2 LEU 11 1HD2 LEU 11 -5.964 1.319 -1.442
79 2HD2 LEU 11 2HD2 LEU 11 -5.804 2.443 -0.072
80 3HD2 LEU 11 3HD2 LEU 11 -6.748 0.946 0.111
81 H TRP 12 H TRP 12 -9.660 -0.781 -0.358
82 HA TRP 12 HA TRP 12 -7.894 -1.724 1.570
83 1HB TRP 12 1HB TRP 12 -9.816 -2.369 2.484
84 2HB TRP 12 2HB TRP 12 -10.636 -1.891 0.991
85 HD1 TRP 12 HD TRP 12 -12.076 -3.694 0.006
86 HE1 TRP 12 1HE TRP 12 -12.181 -6.238 0.016
87 HE3 TRP 12 3HE TRP 12 -7.878 -4.665 2.769
88 HZ2 TRP 12 2HZ TRP 12 -10.637 -8.438 1.089
89 HZ3 TRP 12 3HZ TRP 12 -7.229 -6.994 3.263
90 HH2 TRP 12 HH TRP 12 -8.594 -8.887 2.434
91 H LYS 13 H LYS 13 -8.861 -3.197 -1.526
92 HA LYS 13 HA LYS 13 -7.558 -5.719 -0.986
93 1HB LYS 13 1HB LYS 13 -9.456 -4.983 -2.720
94 2HB LYS 13 2HB LYS 13 -8.044 -4.739 -3.776
95 1HG LYS 13 1HG LYS 13 -7.973 -7.253 -2.213
96 2HG LYS 13 2HG LYS 13 -9.312 -7.157 -3.382
97 1HD LYS 13 1HD LYS 13 -6.935 -6.116 -4.628
98 2HD LYS 13 2HD LYS 13 -6.548 -7.694 -3.901
99 1HE LYS 13 1HE LYS 13 -8.834 -8.434 -4.977
100 2HE LYS 13 2HE LYS 13 -8.591 -7.013 -6.016
101 1HZ LYS 13 1HZ LYS 13 -6.620 -7.898 -6.811
102 2HZ LYS 13 2HZ LYS 13 -6.532 -9.058 -5.643
103 3HZ LYS 13 3HZ LYS 13 -7.678 -9.163 -6.824
104 H LEU 14 H LEU 14 -6.623 -2.591 -2.339
105 HA LEU 14 HA LEU 14 -4.306 -3.336 -3.743
106 1HB LEU 14 1HB LEU 14 -5.579 -0.948 -2.852
107 2HB LEU 14 2HB LEU 14 -3.881 -0.863 -2.327
108 HG LEU 14 HG LEU 14 -4.540 -0.052 -4.749
109 1HD1 LEU 14 1HD1 LEU 14 -2.303 -0.132 -5.108
110 2HD1 LEU 14 2HD1 LEU 14 -2.205 -0.954 -3.533
111 3HD1 LEU 14 3HD1 LEU 14 -2.273 -1.910 -5.032
112 1HD2 LEU 14 1HD2 LEU 14 -5.157 -1.625 -6.257
113 2HD2 LEU 14 2HD2 LEU 14 -3.877 -2.741 -5.724
114 3HD2 LEU 14 3HD2 LEU 14 -5.435 -2.699 -4.864
115 H LEU 15 H LEU 15 -4.723 -2.467 -0.273
116 HA LEU 15 HA LEU 15 -1.979 -2.811 0.414
117 1HB LEU 15 1HB LEU 15 -4.504 -3.044 2.098
118 2HB LEU 15 2HB LEU 15 -2.849 -2.899 2.737
119 HG LEU 15 HG LEU 15 -4.446 -0.863 1.149
120 1HD1 LEU 15 1HD1 LEU 15 -3.451 0.553 3.104
121 2HD1 LEU 15 2HD1 LEU 15 -4.784 -0.569 3.465
122 3HD1 LEU 15 3HD1 LEU 15 -3.109 -1.021 3.862
123 1HD2 LEU 15 1HD2 LEU 15 -1.454 -1.161 1.498
124 2HD2 LEU 15 2HD2 LEU 15 -2.375 -0.746 0.033
125 3HD2 LEU 15 3HD2 LEU 15 -2.192 0.451 1.337
126 H LYS 16 H LYS 16 -4.379 -5.055 -0.518
127 HA LYS 16 HA LYS 16 -3.481 -7.270 1.124
128 1HB LYS 16 1HB LYS 16 -5.723 -6.721 -0.377
129 2HB LYS 16 2HB LYS 16 -4.853 -7.868 -1.424
130 1HG LYS 16 1HG LYS 16 -4.539 -9.041 1.043
131 2HG LYS 16 2HG LYS 16 -6.150 -8.304 1.208
132 1HD LYS 16 1HD LYS 16 -6.198 -9.399 -1.357
133 2HD LYS 16 2HD LYS 16 -5.298 -10.606 -0.408
134 1HE LYS 16 1HE LYS 16 -7.616 -9.540 1.040
135 2HE LYS 16 2HE LYS 16 -8.075 -10.310 -0.494
136 1HZ LYS 16 1HZ LYS 16 -8.012 -12.085 0.840
137 2HZ LYS 16 2HZ LYS 16 -6.423 -12.091 0.399
138 3HZ LYS 16 3HZ LYS 16 -6.871 -11.469 1.859
139 H LYS 17 H LYS 17 -1.690 -5.591 -0.880
140 HA LYS 17 HA LYS 17 0.009 -7.825 -1.562
141 1HB LYS 17 1HB LYS 17 -0.994 -8.282 -3.545
142 2HB LYS 17 2HB LYS 17 -1.884 -6.741 -3.559
143 1HG LYS 17 1HG LYS 17 1.096 -6.991 -4.136
144 2HG LYS 17 2HG LYS 17 -0.161 -6.949 -5.395
145 1HD LYS 17 1HD LYS 17 -0.780 -4.786 -3.715
146 2HD LYS 17 2HD LYS 17 0.995 -4.751 -3.847
147 1HE LYS 17 1HE LYS 17 -0.009 -3.441 -5.662
148 2HE LYS 17 2HE LYS 17 0.797 -4.883 -6.319
149 1HZ LYS 17 1HZ LYS 17 -1.904 -4.139 -6.461
150 2HZ LYS 17 2HZ LYS 17 -1.104 -5.338 -7.264
151 3HZ LYS 17 3HZ LYS 17 -1.759 -5.634 -5.780
152 H TRP 18 H TRP 18 -0.886 -4.394 -1.927
153 HA TRP 18 HA TRP 18 1.783 -3.553 -2.650
154 1HB TRP 18 1HB TRP 18 -0.656 -2.450 -2.874
155 2HB TRP 18 2HB TRP 18 -0.156 -1.693 -1.355
156 HD1 TRP 18 HD TRP 18 -0.048 -1.167 -4.947
157 HE1 TRP 18 1HE TRP 18 1.630 0.625 -5.625
158 HE3 TRP 18 3HE TRP 18 2.578 -0.822 -0.567
159 HZ2 TRP 18 2HZ TRP 18 3.848 2.042 -4.421
160 HZ3 TRP 18 3HZ TRP 18 4.464 0.757 -0.372
161 HH2 TRP 18 HH TRP 18 5.110 2.193 -2.284
162 H LYS 19 H LYS 19 -0.156 -3.635 0.369
163 HA LYS 19 HA LYS 19 1.339 -2.262 2.155
164 1HB LYS 19 1HB LYS 19 -0.648 -3.636 2.711
165 2HB LYS 19 2HB LYS 19 0.340 -5.109 2.564
166 1HG LYS 19 1HG LYS 19 1.499 -3.016 4.317
167 2HG LYS 19 2HG LYS 19 -0.031 -3.709 4.905
168 1HD LYS 19 1HD LYS 19 1.403 -5.929 3.981
169 2HD LYS 19 2HD LYS 19 2.637 -4.919 4.771
170 1HE LYS 19 1HE LYS 19 1.777 -6.237 6.532
171 2HE LYS 19 2HE LYS 19 0.926 -4.687 6.704
172 1HZ LYS 19 1HZ LYS 19 -0.703 -5.963 5.104
173 2HZ LYS 19 2HZ LYS 19 -0.083 -7.258 5.915
174 3HZ LYS 19 3HZ LYS 19 -0.817 -6.039 6.748
175 H MET 20 H MET 20 2.170 -5.507 0.856
176 HA MET 20 HA MET 20 4.311 -6.281 2.301
177 1HB MET 20 1HB MET 20 4.228 -7.689 0.539
178 2HB MET 20 2HB MET 20 3.540 -6.440 -0.527
179 1HG MET 20 1HG MET 20 6.195 -5.635 -0.017
180 2HG MET 20 2HG MET 20 6.282 -7.381 -0.306
181 1HE MET 20 1HE MET 20 3.937 -4.742 -3.227
182 2HE MET 20 2HE MET 20 3.726 -4.908 -1.467
183 3HE MET 20 3HE MET 20 5.014 -3.864 -2.115
184 H ARG 21 H ARG 21 4.357 -3.645 -0.138
185 HA ARG 21 HA ARG 21 7.131 -2.994 0.629
186 1HB ARG 21 1HB ARG 21 5.235 -2.126 -1.564
187 2HB ARG 21 2HB ARG 21 6.720 -1.210 -1.211
188 1HG ARG 21 1HG ARG 21 8.117 -2.967 -1.846
189 2HG ARG 21 2HG ARG 21 6.878 -4.205 -1.527
190 1HD ARG 21 1HD ARG 21 5.604 -2.850 -3.470
191 2HD ARG 21 2HD ARG 21 7.275 -2.462 -3.932
192 HE ARG 21 HE ARG 21 7.394 -5.159 -3.571
193 1HH1 ARG 21 2HH2 ARG 21 5.185 -3.043 -5.344
194 2HH1 ARG 21 1HH2 ARG 21 4.817 -4.231 -6.575
195 1HH2 ARG 21 2HH1 ARG 21 6.909 -6.728 -5.196
196 2HH2 ARG 21 1HH1 ARG 21 5.800 -6.332 -6.490
197 H ARG 22 H ARG 22 3.841 -1.548 0.587
198 HA ARG 22 HA ARG 22 4.612 0.935 1.755
199 1HB ARG 22 1HB ARG 22 2.477 0.521 0.547
200 2HB ARG 22 2HB ARG 22 1.944 -0.524 1.885
201 1HG ARG 22 1HG ARG 22 2.858 1.893 3.070
202 2HG ARG 22 2HG ARG 22 1.848 2.365 1.683
203 1HD ARG 22 1HD ARG 22 0.507 2.077 3.757
204 2HD ARG 22 2HD ARG 22 0.027 0.933 2.485
205 HE ARG 22 HE ARG 22 1.837 -0.533 3.867
206 1HH1 ARG 22 2HH2 ARG 22 -0.886 1.475 4.892
207 2HH1 ARG 22 1HH2 ARG 22 -1.227 0.524 6.321
208 1HH2 ARG 22 2HH1 ARG 22 1.388 -1.789 5.755
209 2HH2 ARG 22 1HH1 ARG 22 0.070 -1.337 6.812
210 H ASN 23 H ASN 23 5.424 -1.813 3.036
211 HA ASN 23 HA ASN 23 4.986 -0.862 5.797
212 1HB ASN 23 1HB ASN 23 3.412 -2.889 4.716
213 2HB ASN 23 2HB ASN 23 4.701 -3.771 5.563
214 1HD2 ASN 23 1HD2 ASN 23 5.266 -1.984 7.663
215 2HD2 ASN 23 2HD2 ASN 23 3.877 -1.901 8.725
216 H GLN 24 H GLN 24 7.140 -1.365 3.550
217 HA GLN 24 HA GLN 24 9.255 -2.004 5.383
218 1HB GLN 24 1HB GLN 24 8.238 -4.140 3.502
219 2HB GLN 24 2HB GLN 24 9.957 -4.075 3.961
220 1HG GLN 24 1HG GLN 24 8.808 -3.772 6.404
221 2HG GLN 24 2HG GLN 24 7.559 -4.749 5.602
222 1HE2 GLN 24 1HE2 GLN 24 8.629 -6.603 4.160
223 2HE2 GLN 24 2HE2 GLN 24 9.827 -7.561 5.003
224 H PHE 25 H PHE 25 9.543 -3.237 2.133
225 HA PHE 25 HA PHE 25 11.684 -1.842 1.286
226 1HB PHE 25 1HB PHE 25 10.810 -3.414 -0.204
227 2HB PHE 25 2HB PHE 25 9.190 -2.698 -0.167
228 HD1 PHE 25 1HD PHE 25 9.180 -0.116 -1.005
229 HD2 PHE 25 2HD PHE 25 12.022 -3.127 -2.147
230 HE1 PHE 25 1HE PHE 25 9.690 1.151 -3.075
231 HE2 PHE 25 2HE PHE 25 12.533 -1.860 -4.217
232 HZ PHE 25 HZ PHE 25 11.366 0.279 -4.681
233 H TRP 26 H TRP 26 8.343 -0.577 1.416
234 HA TRP 26 HA TRP 26 8.657 1.814 0.036
235 1HB TRP 26 1HB TRP 26 6.729 2.514 1.110
236 2HB TRP 26 2HB TRP 26 6.617 0.753 1.239
237 HD1 TRP 26 HD TRP 26 6.420 -0.259 3.577
238 HE1 TRP 26 1HE TRP 26 6.362 0.631 5.963
239 HE3 TRP 26 3HE TRP 26 7.823 4.579 2.668
240 HZ2 TRP 26 2HZ TRP 26 6.861 3.137 7.323
241 HZ3 TRP 26 3HZ TRP 26 8.021 6.185 4.531
242 HH2 TRP 26 HH TRP 26 7.544 5.482 6.858
243 H VAL 27 H VAL 27 9.531 1.048 3.429
244 HA VAL 27 HA VAL 27 10.195 3.481 4.459
245 HB VAL 27 HB VAL 27 11.821 2.350 5.824
246 1HG1 VAL 27 1HG1 VAL 27 9.239 1.248 5.214
247 2HG1 VAL 27 2HG1 VAL 27 10.354 -0.100 5.544
248 3HG1 VAL 27 3HG1 VAL 27 10.130 1.187 6.754
249 1HG2 VAL 27 1HG2 VAL 27 11.928 0.425 3.481
250 2HG2 VAL 27 2HG2 VAL 27 13.266 1.310 4.252
251 3HG2 VAL 27 3HG2 VAL 27 12.490 -0.047 5.103
252 H LYS 28 H LYS 28 12.184 1.561 2.160
253 HA LYS 28 HA LYS 28 14.367 3.383 2.076
254 1HB LYS 28 1HB LYS 28 13.301 1.243 0.220
255 2HB LYS 28 2HB LYS 28 14.715 2.231 -0.219
256 1HG LYS 28 1HG LYS 28 14.515 0.785 2.445
257 2HG LYS 28 2HG LYS 28 15.193 0.009 0.993
258 1HD LYS 28 1HD LYS 28 16.733 2.046 0.791
259 2HD LYS 28 2HD LYS 28 16.195 2.496 2.426
260 1HE LYS 28 1HE LYS 28 17.049 0.455 3.362
261 2HE LYS 28 2HE LYS 28 17.327 -0.242 1.751
262 1HZ LYS 28 1HZ LYS 28 18.695 2.148 2.758
263 2HZ LYS 28 2HZ LYS 28 19.317 0.623 2.849
264 3HZ LYS 28 3HZ LYS 28 19.031 1.311 1.378
265 H VAL 29 H VAL 29 11.294 3.171 0.276
266 HA VAL 29 HA VAL 29 11.731 4.915 -1.813
267 HB VAL 29 HB VAL 29 9.300 4.686 0.003
268 1HG1 VAL 29 1HG1 VAL 29 8.512 6.449 -1.176
269 2HG1 VAL 29 2HG1 VAL 29 9.912 6.424 -2.275
270 3HG1 VAL 29 3HG1 VAL 29 8.509 5.377 -2.597
271 1HG2 VAL 29 1HG2 VAL 29 9.834 3.457 -2.729
272 2HG2 VAL 29 2HG2 VAL 29 10.183 2.613 -1.201
273 3HG2 VAL 29 3HG2 VAL 29 8.511 3.077 -1.599
274 H GLN 30 H GLN 30 11.954 5.587 1.562
275 HA GLN 30 HA GLN 30 11.603 8.494 1.138
276 1HB GLN 30 1HB GLN 30 11.145 8.616 3.368
277 2HB GLN 30 2HB GLN 30 10.811 6.878 3.180
278 1HG GLN 30 1HG GLN 30 13.245 6.442 3.718
279 2HG GLN 30 2HG GLN 30 13.407 8.169 4.104
280 1HE2 GLN 30 1HE2 GLN 30 13.973 6.283 6.053
281 2HE2 GLN 30 2HE2 GLN 30 12.729 6.311 7.285
282 H ARG 31 H ARG 31 14.026 6.047 2.123
283 HA ARG 31 HA ARG 31 16.274 6.408 2.696
284 1HB ARG 31 1HB ARG 31 16.292 5.717 0.382
285 2HB ARG 31 2HB ARG 31 15.913 7.367 -0.167
286 1HG ARG 31 1HG ARG 31 18.298 7.002 -0.453
287 2HG ARG 31 2HG ARG 31 18.068 8.139 0.897
288 1HD ARG 31 1HD ARG 31 17.990 5.382 1.832
289 2HD ARG 31 2HD ARG 31 19.495 5.703 0.944
290 HE ARG 31 HE ARG 31 18.717 6.773 3.532
291 1HH1 ARG 31 2HH2 ARG 31 20.624 7.312 0.604
292 2HH1 ARG 31 1HH2 ARG 31 21.783 8.363 1.387
293 1HH2 ARG 31 2HH1 ARG 31 20.247 8.162 4.566
294 2HH2 ARG 31 1HH1 ARG 31 21.567 8.848 3.646
295 H GLY 32 H GLY 32 16.208 8.005 4.347
296 1HA GLY 32 1HA GLY 32 16.718 10.036 5.288
297 2HA GLY 32 2HA GLY 32 17.686 10.349 3.829
Start of MODEL 2
1 HA PRO 1 HA PRO 1 -12.956 10.774 1.994
2 1HB PRO 1 1HB PRO 1 -14.531 12.949 1.537
3 2HB PRO 1 2HB PRO 1 -13.442 12.853 2.959
4 1HG PRO 1 1HG PRO 1 -12.875 14.187 0.295
5 2HG PRO 1 2HG PRO 1 -12.710 14.907 1.930
6 1HD PRO 1 1HD PRO 1 -10.575 13.815 0.635
7 2HD PRO 1 2HD PRO 1 -10.789 13.573 2.396
8 HA PRO 2 HA PRO 2 -13.246 10.255 -2.607
9 1HB PRO 2 1HB PRO 2 -13.211 7.531 -2.629
10 2HB PRO 2 2HB PRO 2 -11.709 8.495 -2.440
11 1HG PRO 2 1HG PRO 2 -13.397 7.270 -0.239
12 2HG PRO 2 2HG PRO 2 -11.629 7.090 -0.483
13 1HD PRO 2 1HD PRO 2 -12.645 8.952 1.229
14 2HD PRO 2 2HD PRO 2 -11.239 9.344 0.192
15 H LEU 3 H LEU 3 -15.123 10.009 0.097
16 HA LEU 3 HA LEU 3 -17.444 10.081 0.204
17 1HB LEU 3 1HB LEU 3 -17.070 10.164 -2.530
18 2HB LEU 3 2HB LEU 3 -17.998 8.659 -2.322
19 HG LEU 3 HG LEU 3 -19.535 10.555 -2.594
20 1HD1 LEU 3 1HD1 LEU 3 -19.596 9.920 0.360
21 2HD1 LEU 3 2HD1 LEU 3 -20.947 10.037 -0.792
22 3HD1 LEU 3 3HD1 LEU 3 -19.860 8.628 -0.835
23 1HD2 LEU 3 1HD2 LEU 3 -17.770 12.186 -1.607
24 2HD2 LEU 3 2HD2 LEU 3 -19.482 12.488 -1.225
25 3HD2 LEU 3 3HD2 LEU 3 -18.425 11.712 -0.021
26 H SER 4 H SER 4 -15.312 7.568 0.008
27 HA SER 4 HA SER 4 -15.380 5.496 1.011
28 1HB SER 4 1HB SER 4 -17.481 6.765 2.218
29 2HB SER 4 2HB SER 4 -18.317 5.413 1.415
30 HG SER 4 HG SER 4 -17.453 4.965 3.556
31 H GLN 5 H GLN 5 -15.449 3.497 0.071
32 HA GLN 5 HA GLN 5 -16.288 1.788 -1.282
33 1HB GLN 5 1HB GLN 5 -18.534 3.178 -1.098
34 2HB GLN 5 2HB GLN 5 -18.105 3.683 -2.750
35 1HG GLN 5 1HG GLN 5 -17.618 0.947 -2.783
36 2HG GLN 5 2HG GLN 5 -19.068 1.082 -1.764
37 1HE2 GLN 5 1HE2 GLN 5 -19.885 -0.180 -3.761
38 2HE2 GLN 5 2HE2 GLN 5 -20.558 0.786 -5.058
39 H GLU 6 H GLU 6 -15.723 5.071 -2.553
40 HA GLU 6 HA GLU 6 -15.081 4.478 -5.199
41 1HB GLU 6 1HB GLU 6 -14.794 6.657 -3.385
42 2HB GLU 6 2HB GLU 6 -13.210 6.403 -4.157
43 1HG GLU 6 1HG GLU 6 -15.622 6.259 -5.920
44 2HG GLU 6 2HG GLU 6 -15.173 7.863 -5.302
45 H THR 7 H THR 7 -12.937 4.406 -2.304
46 HA THR 7 HA THR 7 -10.830 3.147 -3.946
47 HB THR 7 HB THR 7 -10.263 3.433 -1.100
48 HG1 THR 7 1HG THR 7 -11.459 5.177 -0.917
49 1HG2 THR 7 1HG2 THR 7 -8.666 3.245 -3.069
50 2HG2 THR 7 2HG2 THR 7 -9.135 4.902 -3.516
51 3HG2 THR 7 3HG2 THR 7 -8.328 4.595 -1.960
52 H PHE 8 H PHE 8 -11.226 2.428 -0.529
53 HA PHE 8 HA PHE 8 -10.833 0.132 0.163
54 1HB PHE 8 1HB PHE 8 -13.802 0.223 -0.332
55 2HB PHE 8 2HB PHE 8 -12.919 -0.405 1.070
56 HD1 PHE 8 1HD PHE 8 -12.940 2.901 -0.729
57 HD2 PHE 8 2HD PHE 8 -13.428 0.790 2.980
58 HE1 PHE 8 1HE PHE 8 -13.279 5.055 0.452
59 HE2 PHE 8 2HE PHE 8 -13.767 2.945 4.161
60 HZ PHE 8 HZ PHE 8 -13.693 5.077 2.897
61 H SER 9 H SER 9 -13.446 0.104 -2.334
62 HA SER 9 HA SER 9 -13.528 -2.466 -3.091
63 1HB SER 9 1HB SER 9 -14.650 -0.501 -4.215
64 2HB SER 9 2HB SER 9 -13.139 -0.233 -5.117
65 HG SER 9 HG SER 9 -14.266 -1.559 -6.400
66 H ASP 10 H ASP 10 -11.083 -0.223 -4.525
67 HA ASP 10 HA ASP 10 -9.422 -2.612 -5.132
68 1HB ASP 10 1HB ASP 10 -9.915 0.018 -6.406
69 2HB ASP 10 2HB ASP 10 -8.216 -0.502 -6.387
70 H LEU 11 H LEU 11 -9.713 0.166 -3.079
71 HA LEU 11 HA LEU 11 -6.938 0.611 -2.546
72 1HB LEU 11 1HB LEU 11 -9.170 1.969 -1.974
73 2HB LEU 11 2HB LEU 11 -9.025 1.071 -0.444
74 HG LEU 11 HG LEU 11 -7.140 3.087 -1.665
75 1HD1 LEU 11 1HD1 LEU 11 -8.871 2.854 0.634
76 2HD1 LEU 11 2HD1 LEU 11 -7.190 3.044 1.188
77 3HD1 LEU 11 3HD1 LEU 11 -7.911 4.255 0.101
78 1HD2 LEU 11 1HD2 LEU 11 -5.605 1.311 -1.372
79 2HD2 LEU 11 2HD2 LEU 11 -5.494 2.220 0.154
80 3HD2 LEU 11 3HD2 LEU 11 -6.438 0.713 0.082
81 H TRP 12 H TRP 12 -9.384 -0.812 -0.307
82 HA TRP 12 HA TRP 12 -7.587 -1.978 1.459
83 1HB TRP 12 1HB TRP 12 -9.496 -2.601 2.413
84 2HB TRP 12 2HB TRP 12 -10.356 -1.980 0.997
85 HD1 TRP 12 HD TRP 12 -11.926 -3.640 -0.036
86 HE1 TRP 12 1HE TRP 12 -12.151 -6.171 -0.205
87 HE3 TRP 12 3HE TRP 12 -7.653 -4.996 2.433
88 HZ2 TRP 12 2HZ TRP 12 -10.664 -8.510 0.628
89 HZ3 TRP 12 3HZ TRP 12 -7.092 -7.381 2.725
90 HH2 TRP 12 HH TRP 12 -8.583 -9.146 1.831
91 H LYS 13 H LYS 13 -8.784 -3.198 -1.672
92 HA LYS 13 HA LYS 13 -7.606 -5.808 -1.389
93 1HB LYS 13 1HB LYS 13 -9.444 -4.696 -3.060
94 2HB LYS 13 2HB LYS 13 -8.003 -4.665 -4.106
95 1HG LYS 13 1HG LYS 13 -8.842 -7.139 -2.551
96 2HG LYS 13 2HG LYS 13 -9.421 -6.802 -4.200
97 1HD LYS 13 1HD LYS 13 -6.710 -6.368 -4.457
98 2HD LYS 13 2HD LYS 13 -6.755 -7.695 -3.271
99 1HE LYS 13 1HE LYS 13 -8.591 -7.926 -5.616
100 2HE LYS 13 2HE LYS 13 -6.855 -8.103 -5.947
101 1HZ LYS 13 1HZ LYS 13 -7.948 -9.546 -3.698
102 2HZ LYS 13 2HZ LYS 13 -8.332 -10.092 -5.206
103 3HZ LYS 13 3HZ LYS 13 -6.751 -9.972 -4.750
104 H LEU 14 H LEU 14 -6.511 -2.652 -2.579
105 HA LEU 14 HA LEU 14 -4.219 -3.517 -3.998
106 1HB LEU 14 1HB LEU 14 -5.366 -1.037 -3.002
107 2HB LEU 14 2HB LEU 14 -3.599 -1.051 -2.783
108 HG LEU 14 HG LEU 14 -4.721 -0.291 -5.096
109 1HD1 LEU 14 1HD1 LEU 14 -2.463 -2.044 -5.718
110 2HD1 LEU 14 2HD1 LEU 14 -2.553 -0.267 -5.737
111 3HD1 LEU 14 3HD1 LEU 14 -2.184 -1.123 -4.221
112 1HD2 LEU 14 1HD2 LEU 14 -4.101 -2.998 -6.049
113 2HD2 LEU 14 2HD2 LEU 14 -5.508 -2.970 -4.959
114 3HD2 LEU 14 3HD2 LEU 14 -5.495 -1.955 -6.422
115 H LEU 15 H LEU 15 -4.674 -2.591 -0.551
116 HA LEU 15 HA LEU 15 -1.944 -2.980 0.184
117 1HB LEU 15 1HB LEU 15 -4.576 -2.850 1.663
118 2HB LEU 15 2HB LEU 15 -3.067 -3.245 2.521
119 HG LEU 15 HG LEU 15 -3.421 -0.799 0.740
120 1HD1 LEU 15 1HD1 LEU 15 -4.226 0.380 2.511
121 2HD1 LEU 15 2HD1 LEU 15 -4.662 -1.213 3.176
122 3HD1 LEU 15 3HD1 LEU 15 -3.137 -0.434 3.660
123 1HD2 LEU 15 1HD2 LEU 15 -1.107 -1.428 0.939
124 2HD2 LEU 15 2HD2 LEU 15 -1.368 -0.085 2.078
125 3HD2 LEU 15 3HD2 LEU 15 -1.282 -1.758 2.679
126 H LYS 16 H LYS 16 -4.374 -5.180 -0.761
127 HA LYS 16 HA LYS 16 -3.578 -7.386 0.941
128 1HB LYS 16 1HB LYS 16 -5.717 -6.785 -0.769
129 2HB LYS 16 2HB LYS 16 -4.860 -8.119 -1.578
130 1HG LYS 16 1HG LYS 16 -4.810 -9.002 1.004
131 2HG LYS 16 2HG LYS 16 -6.338 -8.089 1.008
132 1HD LYS 16 1HD LYS 16 -7.270 -9.412 -0.719
133 2HD LYS 16 2HD LYS 16 -5.681 -10.039 -1.217
134 1HE LYS 16 1HE LYS 16 -5.516 -11.148 1.058
135 2HE LYS 16 2HE LYS 16 -7.208 -10.681 1.335
136 1HZ LYS 16 1HZ LYS 16 -7.921 -12.214 -0.075
137 2HZ LYS 16 2HZ LYS 16 -6.672 -12.031 -1.136
138 3HZ LYS 16 3HZ LYS 16 -6.473 -12.944 0.223
139 H LYS 17 H LYS 17 -1.689 -5.786 -1.040
140 HA LYS 17 HA LYS 17 -0.022 -8.071 -1.627
141 1HB LYS 17 1HB LYS 17 -0.979 -8.546 -3.628
142 2HB LYS 17 2HB LYS 17 -1.830 -6.984 -3.701
143 1HG LYS 17 1HG LYS 17 1.160 -7.316 -4.180
144 2HG LYS 17 2HG LYS 17 -0.055 -7.277 -5.479
145 1HD LYS 17 1HD LYS 17 -0.681 -5.061 -3.875
146 2HD LYS 17 2HD LYS 17 1.098 -5.069 -3.942
147 1HE LYS 17 1HE LYS 17 0.171 -5.702 -6.558
148 2HE LYS 17 2HE LYS 17 -0.795 -4.321 -5.995
149 1HZ LYS 17 1HZ LYS 17 1.562 -4.066 -7.079
150 2HZ LYS 17 2HZ LYS 17 0.990 -3.016 -5.943
151 3HZ LYS 17 3HZ LYS 17 2.039 -4.211 -5.507
152 H TRP 18 H TRP 18 -0.827 -4.629 -2.114
153 HA TRP 18 HA TRP 18 1.879 -3.862 -2.765
154 1HB TRP 18 1HB TRP 18 -0.526 -2.711 -3.083
155 2HB TRP 18 2HB TRP 18 -0.054 -1.933 -1.566
156 HD1 TRP 18 HD TRP 18 0.190 -1.509 -5.172
157 HE1 TRP 18 1HE TRP 18 1.920 0.238 -5.834
158 HE3 TRP 18 3HE TRP 18 2.648 -1.074 -0.704
159 HZ2 TRP 18 2HZ TRP 18 4.111 1.659 -4.585
160 HZ3 TRP 18 3HZ TRP 18 4.549 0.483 -0.479
161 HH2 TRP 18 HH TRP 18 5.291 1.853 -2.405
162 H LYS 19 H LYS 19 -0.142 -3.863 0.198
163 HA LYS 19 HA LYS 19 1.312 -2.477 2.005
164 1HB LYS 19 1HB LYS 19 -0.694 -3.828 2.533
165 2HB LYS 19 2HB LYS 19 0.283 -5.312 2.420
166 1HG LYS 19 1HG LYS 19 1.305 -3.138 4.208
167 2HG LYS 19 2HG LYS 19 -0.131 -4.032 4.759
168 1HD LYS 19 1HD LYS 19 2.177 -5.607 3.655
169 2HD LYS 19 2HD LYS 19 2.342 -4.909 5.284
170 1HE LYS 19 1HE LYS 19 1.019 -6.510 6.143
171 2HE LYS 19 2HE LYS 19 -0.283 -6.074 5.015
172 1HZ LYS 19 1HZ LYS 19 1.756 -8.117 4.770
173 2HZ LYS 19 2HZ LYS 19 0.147 -8.184 4.415
174 3HZ LYS 19 3HZ LYS 19 1.185 -7.411 3.393
175 H MET 20 H MET 20 2.172 -5.728 0.748
176 HA MET 20 HA MET 20 4.252 -6.530 2.249
177 1HB MET 20 1HB MET 20 4.138 -7.884 0.429
178 2HB MET 20 2HB MET 20 3.681 -6.550 -0.657
179 1HG MET 20 1HG MET 20 6.288 -5.927 0.088
180 2HG MET 20 2HG MET 20 6.324 -7.691 -0.074
181 1HE MET 20 1HE MET 20 3.930 -5.287 -2.207
182 2HE MET 20 2HE MET 20 5.343 -4.336 -1.692
183 3HE MET 20 3HE MET 20 5.112 -4.726 -3.413
184 H ARG 21 H ARG 21 4.407 -3.834 -0.118
185 HA ARG 21 HA ARG 21 7.132 -3.192 0.841
186 1HB ARG 21 1HB ARG 21 5.439 -2.410 -1.535
187 2HB ARG 21 2HB ARG 21 6.839 -1.420 -1.058
188 1HG ARG 21 1HG ARG 21 8.368 -3.100 -1.547
189 2HG ARG 21 2HG ARG 21 7.189 -4.402 -1.259
190 1HD ARG 21 1HD ARG 21 5.986 -3.188 -3.350
191 2HD ARG 21 2HD ARG 21 7.673 -2.762 -3.712
192 HE ARG 21 HE ARG 21 7.786 -5.458 -3.162
193 1HH1 ARG 21 2HH2 ARG 21 5.890 -3.419 -5.341
194 2HH1 ARG 21 1HH2 ARG 21 5.713 -4.656 -6.565
195 1HH2 ARG 21 2HH1 ARG 21 7.552 -7.092 -4.779
196 2HH2 ARG 21 1HH1 ARG 21 6.661 -6.750 -6.245
197 H ARG 22 H ARG 22 3.850 -1.773 0.509
198 HA ARG 22 HA ARG 22 4.519 0.735 1.699
199 1HB ARG 22 1HB ARG 22 2.516 0.400 0.321
200 2HB ARG 22 2HB ARG 22 1.870 -0.754 1.512
201 1HG ARG 22 1HG ARG 22 1.063 1.731 1.614
202 2HG ARG 22 2HG ARG 22 1.522 0.922 3.132
203 1HD ARG 22 1HD ARG 22 2.485 3.267 2.767
204 2HD ARG 22 2HD ARG 22 3.654 1.992 3.176
205 HE ARG 22 HE ARG 22 4.662 2.330 1.133
206 1HH1 ARG 22 2HH2 ARG 22 1.335 3.522 1.032
207 2HH1 ARG 22 1HH2 ARG 22 1.476 4.182 -0.582
208 1HH2 ARG 22 2HH1 ARG 22 4.848 3.202 -0.999
209 2HH2 ARG 22 1HH1 ARG 22 3.479 3.999 -1.740
210 H ASN 23 H ASN 23 5.245 -1.961 3.091
211 HA ASN 23 HA ASN 23 4.500 -0.998 5.782
212 1HB ASN 23 1HB ASN 23 3.097 -3.068 4.587
213 2HB ASN 23 2HB ASN 23 4.344 -3.923 5.519
214 1HD2 ASN 23 1HD2 ASN 23 4.419 -3.706 7.809
215 2HD2 ASN 23 2HD2 ASN 23 3.057 -3.079 8.712
216 H GLN 24 H GLN 24 6.883 -1.475 3.754
217 HA GLN 24 HA GLN 24 8.838 -1.967 5.790
218 1HB GLN 24 1HB GLN 24 8.047 -4.230 3.953
219 2HB GLN 24 2HB GLN 24 9.723 -4.082 4.535
220 1HG GLN 24 1HG GLN 24 8.359 -3.684 6.861
221 2HG GLN 24 2HG GLN 24 7.235 -4.774 6.019
222 1HE2 GLN 24 1HE2 GLN 24 7.849 -6.233 7.870
223 2HE2 GLN 24 2HE2 GLN 24 9.274 -7.232 7.681
224 H PHE 25 H PHE 25 9.438 -3.347 2.640
225 HA PHE 25 HA PHE 25 11.614 -1.954 1.904
226 1HB PHE 25 1HB PHE 25 10.868 -3.592 0.413
227 2HB PHE 25 2HB PHE 25 9.248 -2.885 0.289
228 HD1 PHE 25 1HD PHE 25 9.303 -0.334 -0.643
229 HD2 PHE 25 2HD PHE 25 12.233 -3.374 -1.435
230 HE1 PHE 25 1HE PHE 25 9.979 0.856 -2.712
231 HE2 PHE 25 2HE PHE 25 12.908 -2.184 -3.503
232 HZ PHE 25 HZ PHE 25 11.782 -0.069 -4.141
233 H TRP 26 H TRP 26 8.258 -0.729 1.693
234 HA TRP 26 HA TRP 26 8.672 1.618 0.267
235 1HB TRP 26 1HB TRP 26 6.649 2.332 1.140
236 2HB TRP 26 2HB TRP 26 6.541 0.574 1.313
237 HD1 TRP 26 HD TRP 26 6.141 -0.372 3.653
238 HE1 TRP 26 1HE TRP 26 5.855 0.587 5.995
239 HE3 TRP 26 3HE TRP 26 7.575 4.454 2.729
240 HZ2 TRP 26 2HZ TRP 26 6.204 3.137 7.318
241 HZ3 TRP 26 3HZ TRP 26 7.585 6.117 4.553
242 HH2 TRP 26 HH TRP 26 6.904 5.477 6.847
243 H VAL 27 H VAL 27 9.237 0.980 3.752
244 HA VAL 27 HA VAL 27 9.781 3.455 4.752
245 HB VAL 27 HB VAL 27 11.284 2.393 6.299
246 1HG1 VAL 27 1HG1 VAL 27 9.533 1.230 7.110
247 2HG1 VAL 27 2HG1 VAL 27 8.781 1.239 5.497
248 3HG1 VAL 27 3HG1 VAL 27 9.875 -0.086 5.962
249 1HG2 VAL 27 1HG2 VAL 27 11.627 0.387 4.047
250 2HG2 VAL 27 2HG2 VAL 27 12.879 1.325 4.897
251 3HG2 VAL 27 3HG2 VAL 27 12.051 -0.013 5.729
252 H LYS 28 H LYS 28 11.996 1.484 2.719
253 HA LYS 28 HA LYS 28 14.157 3.331 2.769
254 1HB LYS 28 1HB LYS 28 13.287 1.117 0.896
255 2HB LYS 28 2HB LYS 28 14.727 2.107 0.558
256 1HG LYS 28 1HG LYS 28 14.249 0.644 3.186
257 2HG LYS 28 2HG LYS 28 15.212 -0.017 1.843
258 1HD LYS 28 1HD LYS 28 16.963 1.051 2.822
259 2HD LYS 28 2HD LYS 28 16.260 2.529 2.123
260 1HE LYS 28 1HE LYS 28 14.749 2.216 4.403
261 2HE LYS 28 2HE LYS 28 16.329 1.602 4.935
262 1HZ LYS 28 1HZ LYS 28 15.572 4.202 4.703
263 2HZ LYS 28 2HZ LYS 28 17.094 3.633 4.984
264 3HZ LYS 28 3HZ LYS 28 16.607 3.959 3.442
265 H VAL 29 H VAL 29 11.263 3.020 0.707
266 HA VAL 29 HA VAL 29 11.872 4.697 -1.395
267 HB VAL 29 HB VAL 29 9.288 4.499 0.201
268 1HG1 VAL 29 1HG1 VAL 29 8.540 5.120 -2.334
269 2HG1 VAL 29 2HG1 VAL 29 8.792 6.346 -1.069
270 3HG1 VAL 29 3HG1 VAL 29 10.079 6.009 -2.250
271 1HG2 VAL 29 1HG2 VAL 29 10.078 3.188 -2.428
272 2HG2 VAL 29 2HG2 VAL 29 10.296 2.399 -0.848
273 3HG2 VAL 29 3HG2 VAL 29 8.663 2.828 -1.410
274 H GLN 30 H GLN 30 11.782 5.486 1.961
275 HA GLN 30 HA GLN 30 11.449 8.374 1.403
276 1HB GLN 30 1HB GLN 30 10.784 8.570 3.575
277 2HB GLN 30 2HB GLN 30 10.477 6.824 3.416
278 1HG GLN 30 1HG GLN 30 12.855 6.429 4.193
279 2HG GLN 30 2HG GLN 30 12.964 8.168 4.541
280 1HE2 GLN 30 1HE2 GLN 30 12.822 8.487 6.690
281 2HE2 GLN 30 2HE2 GLN 30 11.672 7.711 7.758
282 H ARG 31 H ARG 31 13.787 5.983 2.683
283 HA ARG 31 HA ARG 31 15.969 6.383 3.452
284 1HB ARG 31 1HB ARG 31 16.263 5.620 1.202
285 2HB ARG 31 2HB ARG 31 15.827 7.211 0.534
286 1HG ARG 31 1HG ARG 31 17.940 7.979 0.768
287 2HG ARG 31 2HG ARG 31 18.029 7.409 2.452
288 1HD ARG 31 1HD ARG 31 18.506 5.118 1.652
289 2HD ARG 31 2HD ARG 31 18.415 5.685 -0.030
290 HE ARG 31 HE ARG 31 20.310 7.301 1.281
291 1HH1 ARG 31 2HH2 ARG 31 19.832 3.905 0.421
292 2HH1 ARG 31 1HH2 ARG 31 21.541 3.559 0.278
293 1HH2 ARG 31 2HH1 ARG 31 22.567 6.843 1.092
294 2HH2 ARG 31 1HH1 ARG 31 23.100 5.234 0.661
295 H GLY 32 H GLY 32 16.308 8.999 1.137
296 1HA GLY 32 1HA GLY 32 16.110 11.030 3.279
297 2HA GLY 32 2HA GLY 32 17.674 10.823 2.457
Start of MODEL 3
1 HA PRO 1 HA PRO 1 -10.222 9.179 4.283
2 1HB PRO 1 1HB PRO 1 -11.355 11.657 4.295
3 2HB PRO 1 2HB PRO 1 -10.267 11.108 5.612
4 1HG PRO 1 1HG PRO 1 -9.523 12.763 3.183
5 2HG PRO 1 2HG PRO 1 -9.178 13.138 4.903
6 1HD PRO 1 1HD PRO 1 -7.330 11.914 3.317
7 2HD PRO 1 2HD PRO 1 -7.541 11.407 5.021
8 HA PRO 2 HA PRO 2 -10.858 9.359 -0.257
9 1HB PRO 2 1HB PRO 2 -11.865 6.841 -0.510
10 2HB PRO 2 2HB PRO 2 -10.110 7.139 -0.294
11 1HG PRO 2 1HG PRO 2 -12.135 6.452 1.854
12 2HG PRO 2 2HG PRO 2 -10.570 5.636 1.533
13 1HD PRO 2 1HD PRO 2 -10.797 7.579 3.431
14 2HD PRO 2 2HD PRO 2 -9.349 7.500 2.381
15 H LEU 3 H LEU 3 -13.142 8.032 -1.214
16 HA LEU 3 HA LEU 3 -15.251 9.667 0.065
17 1HB LEU 3 1HB LEU 3 -14.869 8.374 -2.640
18 2HB LEU 3 2HB LEU 3 -16.486 8.877 -2.092
19 HG LEU 3 HG LEU 3 -15.018 11.093 -1.444
20 1HD1 LEU 3 1HD1 LEU 3 -13.576 9.577 -3.573
21 2HD1 LEU 3 2HD1 LEU 3 -13.802 11.318 -3.862
22 3HD1 LEU 3 3HD1 LEU 3 -12.957 10.762 -2.398
23 1HD2 LEU 3 1HD2 LEU 3 -16.295 12.123 -3.070
24 2HD2 LEU 3 2HD2 LEU 3 -15.947 10.872 -4.287
25 3HD2 LEU 3 3HD2 LEU 3 -17.139 10.558 -3.004
26 H SER 4 H SER 4 -14.037 6.878 0.875
27 HA SER 4 HA SER 4 -14.860 5.011 1.912
28 1HB SER 4 1HB SER 4 -17.674 6.062 1.661
29 2HB SER 4 2HB SER 4 -16.916 5.169 3.001
30 HG SER 4 HG SER 4 -17.151 7.380 3.490
31 H GLN 5 H GLN 5 -14.939 3.091 0.918
32 HA GLN 5 HA GLN 5 -15.733 1.394 -0.427
33 1HB GLN 5 1HB GLN 5 -17.979 1.572 -0.508
34 2HB GLN 5 2HB GLN 5 -17.912 3.351 -0.509
35 1HG GLN 5 1HG GLN 5 -17.530 3.410 -2.891
36 2HG GLN 5 2HG GLN 5 -17.299 1.649 -2.953
37 1HE2 GLN 5 1HE2 GLN 5 -19.343 3.746 -4.100
38 2HE2 GLN 5 2HE2 GLN 5 -20.890 2.981 -3.803
39 H GLU 6 H GLU 6 -15.805 4.633 -2.008
40 HA GLU 6 HA GLU 6 -15.305 4.038 -4.610
41 1HB GLU 6 1HB GLU 6 -15.119 6.286 -3.056
42 2HB GLU 6 2HB GLU 6 -13.417 6.044 -3.519
43 1HG GLU 6 1HG GLU 6 -13.817 6.496 -5.718
44 2HG GLU 6 2HG GLU 6 -15.384 5.658 -5.708
45 H THR 7 H THR 7 -12.843 4.027 -1.985
46 HA THR 7 HA THR 7 -10.904 2.829 -3.870
47 HB THR 7 HB THR 7 -10.040 3.192 -1.094
48 HG1 THR 7 1HG THR 7 -11.133 5.365 -2.556
49 1HG2 THR 7 1HG2 THR 7 -8.205 4.325 -2.189
50 2HG2 THR 7 2HG2 THR 7 -8.636 2.918 -3.190
51 3HG2 THR 7 3HG2 THR 7 -9.160 4.549 -3.675
52 H PHE 8 H PHE 8 -10.803 2.134 -0.436
53 HA PHE 8 HA PHE 8 -10.259 -0.155 0.191
54 1HB PHE 8 1HB PHE 8 -13.269 -0.122 0.183
55 2HB PHE 8 2HB PHE 8 -12.157 -0.703 1.433
56 HD1 PHE 8 1HD PHE 8 -12.582 2.562 -0.391
57 HD2 PHE 8 2HD PHE 8 -12.346 0.522 3.382
58 HE1 PHE 8 1HE PHE 8 -12.779 4.732 0.794
59 HE2 PHE 8 2HE PHE 8 -12.543 2.692 4.567
60 HZ PHE 8 HZ PHE 8 -12.760 4.797 3.273
61 H SER 9 H SER 9 -13.243 -0.240 -1.846
62 HA SER 9 HA SER 9 -13.390 -2.823 -2.567
63 1HB SER 9 1HB SER 9 -14.716 -0.849 -3.480
64 2HB SER 9 2HB SER 9 -13.408 -0.629 -4.667
65 HG SER 9 HG SER 9 -14.070 -2.330 -5.702
66 H ASP 10 H ASP 10 -11.290 -0.522 -4.401
67 HA ASP 10 HA ASP 10 -9.766 -2.844 -5.414
68 1HB ASP 10 1HB ASP 10 -10.640 -0.436 -6.546
69 2HB ASP 10 2HB ASP 10 -8.897 -0.201 -6.297
70 H LEU 11 H LEU 11 -9.568 -0.111 -3.205
71 HA LEU 11 HA LEU 11 -6.720 -0.022 -2.975
72 1HB LEU 11 1HB LEU 11 -8.765 1.535 -2.110
73 2HB LEU 11 2HB LEU 11 -8.403 0.647 -0.610
74 HG LEU 11 HG LEU 11 -5.958 1.235 -0.970
75 1HD1 LEU 11 1HD1 LEU 11 -6.487 3.569 -2.603
76 2HD1 LEU 11 2HD1 LEU 11 -5.319 2.254 -2.876
77 3HD1 LEU 11 3HD1 LEU 11 -6.988 2.099 -3.475
78 1HD2 LEU 11 1HD2 LEU 11 -8.170 2.889 -0.085
79 2HD2 LEU 11 2HD2 LEU 11 -6.517 2.786 0.567
80 3HD2 LEU 11 3HD2 LEU 11 -6.881 3.912 -0.763
81 H TRP 12 H TRP 12 -9.111 -1.244 -0.558
82 HA TRP 12 HA TRP 12 -7.318 -2.616 1.054
83 1HB TRP 12 1HB TRP 12 -9.213 -3.089 2.116
84 2HB TRP 12 2HB TRP 12 -10.104 -2.372 0.766
85 HD1 TRP 12 HD TRP 12 -11.875 -3.878 -0.173
86 HE1 TRP 12 1HE TRP 12 -12.315 -6.379 -0.369
87 HE3 TRP 12 3HE TRP 12 -7.565 -5.626 1.963
88 HZ2 TRP 12 2HZ TRP 12 -10.968 -8.847 0.316
89 HZ3 TRP 12 3HZ TRP 12 -7.180 -8.054 2.173
90 HH2 TRP 12 HH TRP 12 -8.867 -9.674 1.357
91 H LYS 13 H LYS 13 -8.847 -3.662 -2.000
92 HA LYS 13 HA LYS 13 -7.822 -6.354 -1.847
93 1HB LYS 13 1HB LYS 13 -9.810 -5.293 -3.235
94 2HB LYS 13 2HB LYS 13 -8.531 -5.000 -4.438
95 1HG LYS 13 1HG LYS 13 -7.898 -7.420 -4.288
96 2HG LYS 13 2HG LYS 13 -9.272 -7.679 -3.188
97 1HD LYS 13 1HD LYS 13 -10.814 -6.827 -4.954
98 2HD LYS 13 2HD LYS 13 -9.426 -6.655 -6.055
99 1HE LYS 13 1HE LYS 13 -9.173 -8.935 -6.320
100 2HE LYS 13 2HE LYS 13 -9.815 -9.302 -4.704
101 1HZ LYS 13 1HZ LYS 13 -11.802 -8.121 -6.243
102 2HZ LYS 13 2HZ LYS 13 -11.146 -9.363 -7.108
103 3HZ LYS 13 3HZ LYS 13 -11.758 -9.640 -5.601
104 H LEU 14 H LEU 14 -6.653 -3.248 -3.072
105 HA LEU 14 HA LEU 14 -4.503 -4.380 -4.637
106 1HB LEU 14 1HB LEU 14 -5.405 -1.668 -3.748
107 2HB LEU 14 2HB LEU 14 -3.701 -1.853 -4.226
108 HG LEU 14 HG LEU 14 -5.880 -1.496 -5.953
109 1HD1 LEU 14 1HD1 LEU 14 -3.236 -1.261 -6.124
110 2HD1 LEU 14 2HD1 LEU 14 -3.366 -2.861 -6.892
111 3HD1 LEU 14 3HD1 LEU 14 -4.226 -1.467 -7.589
112 1HD2 LEU 14 1HD2 LEU 14 -6.146 -4.080 -5.312
113 2HD2 LEU 14 2HD2 LEU 14 -6.404 -3.507 -6.978
114 3HD2 LEU 14 3HD2 LEU 14 -4.857 -4.262 -6.526
115 H LEU 15 H LEU 15 -4.889 -3.109 -1.319
116 HA LEU 15 HA LEU 15 -2.108 -3.168 -0.657
117 1HB LEU 15 1HB LEU 15 -4.652 -2.619 0.630
118 2HB LEU 15 2HB LEU 15 -3.619 -3.611 1.688
119 HG LEU 15 HG LEU 15 -1.725 -1.978 1.147
120 1HD1 LEU 15 1HD1 LEU 15 -2.446 0.265 0.356
121 2HD1 LEU 15 2HD1 LEU 15 -2.743 -0.990 -0.871
122 3HD1 LEU 15 3HD1 LEU 15 -4.093 -0.363 0.106
123 1HD2 LEU 15 1HD2 LEU 15 -2.289 -0.681 2.986
124 2HD2 LEU 15 2HD2 LEU 15 -3.970 -0.459 2.447
125 3HD2 LEU 15 3HD2 LEU 15 -3.466 -2.003 3.174
126 H LYS 16 H LYS 16 -4.335 -5.655 -1.322
127 HA LYS 16 HA LYS 16 -3.397 -7.616 0.568
128 1HB LYS 16 1HB LYS 16 -5.523 -7.409 -1.154
129 2HB LYS 16 2HB LYS 16 -4.476 -8.556 -2.023
130 1HG LYS 16 1HG LYS 16 -4.339 -9.987 -0.037
131 2HG LYS 16 2HG LYS 16 -5.289 -8.813 0.904
132 1HD LYS 16 1HD LYS 16 -7.239 -9.173 -0.482
133 2HD LYS 16 2HD LYS 16 -6.304 -10.156 -1.633
134 1HE LYS 16 1HE LYS 16 -5.785 -11.682 0.397
135 2HE LYS 16 2HE LYS 16 -7.117 -10.829 1.209
136 1HZ LYS 16 1HZ LYS 16 -7.202 -12.580 -1.109
137 2HZ LYS 16 2HZ LYS 16 -8.152 -12.576 0.239
138 3HZ LYS 16 3HZ LYS 16 -8.364 -11.425 -0.922
139 H LYS 17 H LYS 17 -1.531 -6.013 -1.418
140 HA LYS 17 HA LYS 17 0.373 -8.163 -1.707
141 1HB LYS 17 1HB LYS 17 -0.338 -8.890 -3.725
142 2HB LYS 17 2HB LYS 17 -1.407 -7.485 -3.951
143 1HG LYS 17 1HG LYS 17 1.619 -7.457 -4.319
144 2HG LYS 17 2HG LYS 17 0.431 -7.559 -5.640
145 1HD LYS 17 1HD LYS 17 -0.390 -5.389 -4.004
146 2HD LYS 17 2HD LYS 17 1.370 -5.219 -4.207
147 1HE LYS 17 1HE LYS 17 -0.252 -5.935 -6.624
148 2HE LYS 17 2HE LYS 17 -0.370 -4.269 -6.018
149 1HZ LYS 17 1HZ LYS 17 1.365 -4.444 -7.600
150 2HZ LYS 17 2HZ LYS 17 2.036 -4.168 -6.119
151 3HZ LYS 17 3HZ LYS 17 2.088 -5.679 -6.779
152 H TRP 18 H TRP 18 -0.718 -4.860 -2.048
153 HA TRP 18 HA TRP 18 1.990 -3.904 -2.708
154 1HB TRP 18 1HB TRP 18 -0.509 -3.040 -3.379
155 2HB TRP 18 2HB TRP 18 -0.161 -1.999 -1.992
156 HD1 TRP 18 HD TRP 18 0.188 -2.078 -5.589
157 HE1 TRP 18 1HE TRP 18 1.882 -0.385 -6.456
158 HE3 TRP 18 3HE TRP 18 2.536 -0.954 -1.182
159 HZ2 TRP 18 2HZ TRP 18 4.004 1.261 -5.378
160 HZ3 TRP 18 3HZ TRP 18 4.386 0.678 -1.142
161 HH2 TRP 18 HH TRP 18 5.131 1.792 -3.226
162 H LYS 19 H LYS 19 -0.418 -3.791 -0.050
163 HA LYS 19 HA LYS 19 0.758 -2.084 1.734
164 1HB LYS 19 1HB LYS 19 -1.332 -3.593 1.965
165 2HB LYS 19 2HB LYS 19 -0.209 -4.816 2.609
166 1HG LYS 19 1HG LYS 19 0.617 -2.748 4.091
167 2HG LYS 19 2HG LYS 19 -1.036 -2.170 3.771
168 1HD LYS 19 1HD LYS 19 -1.760 -3.536 5.415
169 2HD LYS 19 2HD LYS 19 -1.289 -4.920 4.400
170 1HE LYS 19 1HE LYS 19 0.955 -4.915 5.349
171 2HE LYS 19 2HE LYS 19 0.602 -3.434 6.266
172 1HZ LYS 19 1HZ LYS 19 -1.090 -4.671 7.441
173 2HZ LYS 19 2HZ LYS 19 -0.688 -6.046 6.624
174 3HZ LYS 19 3HZ LYS 19 0.402 -5.343 7.643
175 H MET 20 H MET 20 1.593 -5.576 1.361
176 HA MET 20 HA MET 20 3.487 -6.005 3.206
177 1HB MET 20 1HB MET 20 4.844 -7.122 1.251
178 2HB MET 20 2HB MET 20 3.220 -7.729 1.656
179 1HG MET 20 1HG MET 20 2.603 -7.326 -0.457
180 2HG MET 20 2HG MET 20 2.791 -5.596 -0.126
181 1HE MET 20 1HE MET 20 3.512 -5.176 -3.049
182 2HE MET 20 2HE MET 20 3.631 -4.290 -1.509
183 3HE MET 20 3HE MET 20 5.055 -4.429 -2.570
184 H ARG 21 H ARG 21 3.960 -3.969 0.295
185 HA ARG 21 HA ARG 21 6.657 -3.237 1.243
186 1HB ARG 21 1HB ARG 21 5.089 -2.968 -1.305
187 2HB ARG 21 2HB ARG 21 6.399 -1.806 -0.984
188 1HG ARG 21 1HG ARG 21 7.937 -3.743 -0.545
189 2HG ARG 21 2HG ARG 21 6.626 -4.844 -1.030
190 1HD ARG 21 1HD ARG 21 6.713 -2.959 -3.090
191 2HD ARG 21 2HD ARG 21 8.424 -3.224 -2.689
192 HE ARG 21 HE ARG 21 7.498 -5.769 -2.823
193 1HH1 ARG 21 2HH2 ARG 21 7.117 -2.969 -4.949
194 2HH1 ARG 21 1HH2 ARG 21 6.988 -3.923 -6.409
195 1HH2 ARG 21 2HH1 ARG 21 7.326 -7.029 -4.752
196 2HH2 ARG 21 1HH1 ARG 21 7.107 -6.238 -6.297
197 H ARG 22 H ARG 22 3.494 -1.720 0.436
198 HA ARG 22 HA ARG 22 4.269 0.912 1.229
199 1HB ARG 22 1HB ARG 22 2.355 0.486 -0.236
200 2HB ARG 22 2HB ARG 22 1.538 -0.422 1.059
201 1HG ARG 22 1HG ARG 22 0.911 2.094 0.698
202 2HG ARG 22 2HG ARG 22 1.178 1.509 2.358
203 1HD ARG 22 1HD ARG 22 2.343 3.699 1.757
204 2HD ARG 22 2HD ARG 22 3.388 2.427 2.426
205 HE ARG 22 HE ARG 22 4.555 2.407 0.442
206 1HH1 ARG 22 2HH2 ARG 22 1.340 3.782 -0.080
207 2HH1 ARG 22 1HH2 ARG 22 1.640 4.200 -1.752
208 1HH2 ARG 22 2HH1 ARG 22 4.952 2.959 -1.767
209 2HH2 ARG 22 1HH1 ARG 22 3.699 3.731 -2.714
210 H ASN 23 H ASN 23 4.747 -1.482 3.127
211 HA ASN 23 HA ASN 23 3.885 -0.024 5.537
212 1HB ASN 23 1HB ASN 23 2.426 -2.227 4.585
213 2HB ASN 23 2HB ASN 23 3.458 -2.887 5.872
214 1HD2 ASN 23 1HD2 ASN 23 2.499 -2.896 7.819
215 2HD2 ASN 23 2HD2 ASN 23 1.377 -1.689 8.410
216 H GLN 24 H GLN 24 6.354 -0.971 3.854
217 HA GLN 24 HA GLN 24 8.057 -1.385 6.143
218 1HB GLN 24 1HB GLN 24 7.374 -3.710 4.326
219 2HB GLN 24 2HB GLN 24 8.928 -3.626 5.190
220 1HG GLN 24 1HG GLN 24 7.305 -3.045 7.247
221 2HG GLN 24 2HG GLN 24 6.150 -3.971 6.266
222 1HE2 GLN 24 1HE2 GLN 24 6.256 -6.176 6.257
223 2HE2 GLN 24 2HE2 GLN 24 7.524 -7.109 7.022
224 H PHE 25 H PHE 25 8.966 -3.032 3.224
225 HA PHE 25 HA PHE 25 11.264 -1.734 2.663
226 1HB PHE 25 1HB PHE 25 10.652 -3.558 1.303
227 2HB PHE 25 2HB PHE 25 9.129 -2.797 0.811
228 HD1 PHE 25 1HD PHE 25 9.512 -0.395 -0.391
229 HD2 PHE 25 2HD PHE 25 12.331 -3.634 -0.280
230 HE1 PHE 25 1HE PHE 25 10.611 0.492 -2.429
231 HE2 PHE 25 2HE PHE 25 13.430 -2.747 -2.318
232 HZ PHE 25 HZ PHE 25 12.571 -0.684 -3.393
233 H TRP 26 H TRP 26 7.998 -0.597 1.684
234 HA TRP 26 HA TRP 26 8.606 1.571 0.121
235 1HB TRP 26 1HB TRP 26 6.509 2.390 0.651
236 2HB TRP 26 2HB TRP 26 6.354 0.675 1.058
237 HD1 TRP 26 HD TRP 26 5.671 0.075 3.444
238 HE1 TRP 26 1HE TRP 26 5.149 1.358 5.582
239 HE3 TRP 26 3HE TRP 26 7.304 4.713 2.023
240 HZ2 TRP 26 2HZ TRP 26 5.403 4.067 6.566
241 HZ3 TRP 26 3HZ TRP 26 7.148 6.617 3.585
242 HH2 TRP 26 HH TRP 26 6.202 6.312 5.854
243 H VAL 27 H VAL 27 8.769 1.389 3.700
244 HA VAL 27 HA VAL 27 9.249 3.982 4.411
245 HB VAL 27 HB VAL 27 10.552 3.121 6.256
246 1HG1 VAL 27 1HG1 VAL 27 8.613 2.236 6.990
247 2HG1 VAL 27 2HG1 VAL 27 8.099 1.896 5.320
248 3HG1 VAL 27 3HG1 VAL 27 9.065 0.698 6.216
249 1HG2 VAL 27 1HG2 VAL 27 11.146 0.561 6.067
250 2HG2 VAL 27 2HG2 VAL 27 11.070 0.865 4.315
251 3HG2 VAL 27 3HG2 VAL 27 12.224 1.768 5.326
252 H LYS 28 H LYS 28 11.605 1.719 2.919
253 HA LYS 28 HA LYS 28 13.816 3.514 3.000
254 1HB LYS 28 1HB LYS 28 13.106 1.100 1.311
255 2HB LYS 28 2HB LYS 28 14.629 1.994 1.089
256 1HG LYS 28 1HG LYS 28 13.699 0.905 3.775
257 2HG LYS 28 2HG LYS 28 14.776 0.012 2.675
258 1HD LYS 28 1HD LYS 28 16.551 1.198 3.396
259 2HD LYS 28 2HD LYS 28 15.738 2.723 2.967
260 1HE LYS 28 1HE LYS 28 14.424 2.476 5.148
261 2HE LYS 28 2HE LYS 28 15.557 1.176 5.576
262 1HZ LYS 28 1HZ LYS 28 16.854 2.755 6.313
263 2HZ LYS 28 2HZ LYS 28 17.098 3.255 4.760
264 3HZ LYS 28 3HZ LYS 28 15.922 3.958 5.679
265 H VAL 29 H VAL 29 11.167 2.988 0.673
266 HA VAL 29 HA VAL 29 12.077 4.345 -1.550
267 HB VAL 29 HB VAL 29 9.321 4.423 -0.261
268 1HG1 VAL 29 1HG1 VAL 29 9.038 4.663 -3.015
269 2HG1 VAL 29 2HG1 VAL 29 8.898 5.994 -1.842
270 3HG1 VAL 29 3HG1 VAL 29 10.445 5.696 -2.669
271 1HG2 VAL 29 1HG2 VAL 29 10.371 2.178 -0.893
272 2HG2 VAL 29 2HG2 VAL 29 8.825 2.557 -1.689
273 3HG2 VAL 29 3HG2 VAL 29 10.354 2.747 -2.580
274 H GLN 30 H GLN 30 11.642 5.588 1.635
275 HA GLN 30 HA GLN 30 11.479 8.378 0.660
276 1HB GLN 30 1HB GLN 30 10.574 8.885 2.691
277 2HB GLN 30 2HB GLN 30 10.224 7.140 2.732
278 1HG GLN 30 1HG GLN 30 12.476 6.804 3.836
279 2HG GLN 30 2HG GLN 30 12.615 8.572 3.953
280 1HE2 GLN 30 1HE2 GLN 30 12.590 8.647 6.221
281 2HE2 GLN 30 2HE2 GLN 30 11.161 8.268 7.157
282 H ARG 31 H ARG 31 13.559 6.142 2.531
283 HA ARG 31 HA ARG 31 15.649 6.603 3.496
284 1HB ARG 31 1HB ARG 31 16.133 5.514 1.401
285 2HB ARG 31 2HB ARG 31 15.916 7.033 0.499
286 1HG ARG 31 1HG ARG 31 17.826 7.528 2.572
287 2HG ARG 31 2HG ARG 31 18.300 6.019 1.756
288 1HD ARG 31 1HD ARG 31 18.021 7.206 -0.449
289 2HD ARG 31 2HD ARG 31 17.743 8.712 0.451
290 HE ARG 31 HE ARG 31 20.167 7.560 1.369
291 1HH1 ARG 31 2HH2 ARG 31 18.766 9.041 -1.520
292 2HH1 ARG 31 1HH2 ARG 31 20.291 9.671 -2.103
293 1HH2 ARG 31 2HH1 ARG 31 22.181 8.392 0.599
294 2HH2 ARG 31 1HH1 ARG 31 22.237 9.301 -0.895
295 H GLY 32 H GLY 32 15.029 8.537 4.720
296 1HA GLY 32 1HA GLY 32 16.770 10.640 4.570
297 2HA GLY 32 2HA GLY 32 15.439 11.148 3.505
Start of MODEL 4
1 HA PRO 1 HA PRO 1 -15.668 12.293 -0.639
2 1HB PRO 1 1HB PRO 1 -16.594 13.800 1.433
3 2HB PRO 1 2HB PRO 1 -15.646 14.519 0.091
4 1HG PRO 1 1HG PRO 1 -18.664 14.426 0.367
5 2HG PRO 1 2HG PRO 1 -17.645 15.867 0.045
6 1HD PRO 1 1HD PRO 1 -18.848 14.496 -1.981
7 2HD PRO 1 2HD PRO 1 -17.184 15.127 -2.175
8 HA PRO 2 HA PRO 2 -19.320 9.610 0.430
9 1HB PRO 2 1HB PRO 2 -18.232 7.234 -0.341
10 2HB PRO 2 2HB PRO 2 -18.942 8.378 -1.527
11 1HG PRO 2 1HG PRO 2 -16.023 8.106 -0.757
12 2HG PRO 2 2HG PRO 2 -16.718 8.089 -2.410
13 1HD PRO 2 1HD PRO 2 -15.697 10.369 -1.322
14 2HD PRO 2 2HD PRO 2 -17.190 10.424 -2.308
15 H LEU 3 H LEU 3 -18.692 7.127 1.525
16 HA LEU 3 HA LEU 3 -17.163 7.969 3.917
17 1HB LEU 3 1HB LEU 3 -19.590 6.567 3.502
18 2HB LEU 3 2HB LEU 3 -18.425 5.371 4.118
19 HG LEU 3 HG LEU 3 -19.670 6.601 5.934
20 1HD1 LEU 3 1HD1 LEU 3 -16.662 7.065 5.751
21 2HD1 LEU 3 2HD1 LEU 3 -17.622 7.149 7.247
22 3HD1 LEU 3 3HD1 LEU 3 -17.466 5.605 6.375
23 1HD2 LEU 3 1HD2 LEU 3 -19.214 8.940 6.325
24 2HD2 LEU 3 2HD2 LEU 3 -17.996 8.977 5.027
25 3HD2 LEU 3 3HD2 LEU 3 -19.719 8.780 4.625
26 H SER 4 H SER 4 -17.384 5.381 1.447
27 HA SER 4 HA SER 4 -14.649 4.938 1.223
28 1HB SER 4 1HB SER 4 -14.464 2.768 2.557
29 2HB SER 4 2HB SER 4 -14.489 4.270 3.512
30 HG SER 4 HG SER 4 -16.509 3.856 4.145
31 H GLN 5 H GLN 5 -14.591 4.050 -0.748
32 HA GLN 5 HA GLN 5 -15.617 1.556 -1.440
33 1HB GLN 5 1HB GLN 5 -17.566 2.302 -2.907
34 2HB GLN 5 2HB GLN 5 -17.862 2.329 -1.153
35 1HG GLN 5 1HG GLN 5 -16.937 4.819 -1.393
36 2HG GLN 5 2HG GLN 5 -17.485 4.613 -3.071
37 1HE2 GLN 5 1HE2 GLN 5 -18.963 6.437 -2.344
38 2HE2 GLN 5 2HE2 GLN 5 -20.486 5.985 -1.610
39 H GLU 6 H GLU 6 -15.483 4.902 -2.791
40 HA GLU 6 HA GLU 6 -14.852 4.480 -5.387
41 1HB GLU 6 1HB GLU 6 -14.818 6.650 -3.931
42 2HB GLU 6 2HB GLU 6 -13.079 6.309 -3.763
43 1HG GLU 6 1HG GLU 6 -13.084 7.617 -5.686
44 2HG GLU 6 2HG GLU 6 -13.201 5.988 -6.386
45 H THR 7 H THR 7 -12.219 4.715 -2.923
46 HA THR 7 HA THR 7 -10.451 3.220 -4.723
47 HB THR 7 HB THR 7 -9.473 3.794 -2.015
48 HG1 THR 7 1HG THR 7 -10.154 5.757 -1.870
49 1HG2 THR 7 1HG2 THR 7 -7.664 4.826 -3.297
50 2HG2 THR 7 2HG2 THR 7 -8.103 3.274 -4.050
51 3HG2 THR 7 3HG2 THR 7 -8.658 4.804 -4.773
52 H PHE 8 H PHE 8 -10.337 2.823 -1.220
53 HA PHE 8 HA PHE 8 -9.779 0.591 -0.407
54 1HB PHE 8 1HB PHE 8 -12.789 0.630 -0.421
55 2HB PHE 8 2HB PHE 8 -11.680 0.146 0.873
56 HD1 PHE 8 1HD PHE 8 -12.080 3.258 -1.207
57 HD2 PHE 8 2HD PHE 8 -11.875 1.522 2.717
58 HE1 PHE 8 1HE PHE 8 -12.269 5.516 -0.199
59 HE2 PHE 8 2HE PHE 8 -12.064 3.780 3.725
60 HZ PHE 8 HZ PHE 8 -12.261 5.777 2.267
61 H SER 9 H SER 9 -12.750 0.352 -2.453
62 HA SER 9 HA SER 9 -12.922 -2.279 -2.952
63 1HB SER 9 1HB SER 9 -14.231 -0.415 -4.051
64 2HB SER 9 2HB SER 9 -12.889 -0.240 -5.207
65 HG SER 9 HG SER 9 -14.278 -1.657 -6.127
66 H ASP 10 H ASP 10 -10.781 -0.181 -4.974
67 HA ASP 10 HA ASP 10 -9.268 -2.600 -5.744
68 1HB ASP 10 1HB ASP 10 -9.888 0.007 -6.924
69 2HB ASP 10 2HB ASP 10 -8.156 -0.380 -7.015
70 H LEU 11 H LEU 11 -9.068 0.313 -3.782
71 HA LEU 11 HA LEU 11 -6.222 0.403 -3.530
72 1HB LEU 11 1HB LEU 11 -8.269 2.036 -2.818
73 2HB LEU 11 2HB LEU 11 -7.918 1.280 -1.246
74 HG LEU 11 HG LEU 11 -5.477 1.834 -1.618
75 1HD1 LEU 11 1HD1 LEU 11 -6.449 2.431 -4.220
76 2HD1 LEU 11 2HD1 LEU 11 -5.962 3.984 -3.500
77 3HD1 LEU 11 3HD1 LEU 11 -4.792 2.646 -3.606
78 1HD2 LEU 11 1HD2 LEU 11 -6.471 4.522 -1.746
79 2HD2 LEU 11 2HD2 LEU 11 -7.672 3.534 -0.881
80 3HD2 LEU 11 3HD2 LEU 11 -5.988 3.592 -0.307
81 H TRP 12 H TRP 12 -8.638 -0.587 -1.034
82 HA TRP 12 HA TRP 12 -6.868 -1.832 0.700
83 1HB TRP 12 1HB TRP 12 -8.774 -2.198 1.785
84 2HB TRP 12 2HB TRP 12 -9.650 -1.590 0.373
85 HD1 TRP 12 HD TRP 12 -11.427 -3.155 -0.451
86 HE1 TRP 12 1HE TRP 12 -11.890 -5.660 -0.436
87 HE3 TRP 12 3HE TRP 12 -7.150 -4.753 1.863
88 HZ2 TRP 12 2HZ TRP 12 -10.571 -8.072 0.468
89 HZ3 TRP 12 3HZ TRP 12 -6.789 -7.157 2.283
90 HH2 TRP 12 HH TRP 12 -8.486 -8.826 1.594
91 H LYS 13 H LYS 13 -8.380 -3.119 -2.268
92 HA LYS 13 HA LYS 13 -7.394 -5.800 -1.880
93 1HB LYS 13 1HB LYS 13 -9.347 -4.850 -3.376
94 2HB LYS 13 2HB LYS 13 -8.051 -4.633 -4.578
95 1HG LYS 13 1HG LYS 13 -7.491 -7.157 -3.703
96 2HG LYS 13 2HG LYS 13 -9.259 -7.135 -3.502
97 1HD LYS 13 1HD LYS 13 -9.056 -5.971 -5.951
98 2HD LYS 13 2HD LYS 13 -7.615 -7.015 -5.990
99 1HE LYS 13 1HE LYS 13 -10.055 -8.299 -4.898
100 2HE LYS 13 2HE LYS 13 -10.159 -7.845 -6.613
101 1HZ LYS 13 1HZ LYS 13 -7.716 -8.963 -6.328
102 2HZ LYS 13 2HZ LYS 13 -8.688 -9.916 -5.397
103 3HZ LYS 13 3HZ LYS 13 -9.048 -9.676 -6.988
104 H LEU 14 H LEU 14 -6.171 -2.829 -3.374
105 HA LEU 14 HA LEU 14 -4.027 -4.087 -4.817
106 1HB LEU 14 1HB LEU 14 -4.913 -1.334 -4.117
107 2HB LEU 14 2HB LEU 14 -3.173 -1.537 -4.434
108 HG LEU 14 HG LEU 14 -5.124 -1.208 -6.375
109 1HD1 LEU 14 1HD1 LEU 14 -2.988 -2.726 -7.517
110 2HD1 LEU 14 2HD1 LEU 14 -3.176 -0.956 -7.479
111 3HD1 LEU 14 3HD1 LEU 14 -2.306 -1.788 -6.167
112 1HD2 LEU 14 1HD2 LEU 14 -4.309 -4.059 -6.761
113 2HD2 LEU 14 2HD2 LEU 14 -5.599 -3.752 -5.574
114 3HD2 LEU 14 3HD2 LEU 14 -5.797 -3.221 -7.261
115 H LEU 15 H LEU 15 -4.367 -2.594 -1.580
116 HA LEU 15 HA LEU 15 -1.594 -2.766 -0.902
117 1HB LEU 15 1HB LEU 15 -4.073 -1.920 0.302
118 2HB LEU 15 2HB LEU 15 -3.195 -2.965 1.444
119 HG LEU 15 HG LEU 15 -1.104 -1.553 0.773
120 1HD1 LEU 15 1HD1 LEU 15 -1.486 0.602 -0.138
121 2HD1 LEU 15 2HD1 LEU 15 -2.498 -0.472 -1.132
122 3HD1 LEU 15 3HD1 LEU 15 -3.240 0.510 0.154
123 1HD2 LEU 15 1HD2 LEU 15 -2.831 0.306 2.236
124 2HD2 LEU 15 2HD2 LEU 15 -3.023 -1.368 2.809
125 3HD2 LEU 15 3HD2 LEU 15 -1.414 -0.608 2.804
126 H LYS 16 H LYS 16 -3.959 -5.160 -1.404
127 HA LYS 16 HA LYS 16 -3.183 -7.032 0.631
128 1HB LYS 16 1HB LYS 16 -5.226 -6.839 -1.188
129 2HB LYS 16 2HB LYS 16 -4.208 -8.092 -1.937
130 1HG LYS 16 1HG LYS 16 -4.183 -8.818 0.738
131 2HG LYS 16 2HG LYS 16 -5.840 -8.205 0.520
132 1HD LYS 16 1HD LYS 16 -6.429 -9.939 -0.832
133 2HD LYS 16 2HD LYS 16 -4.873 -9.914 -1.696
134 1HE LYS 16 1HE LYS 16 -4.034 -11.567 -0.409
135 2HE LYS 16 2HE LYS 16 -4.550 -10.755 1.085
136 1HZ LYS 16 1HZ LYS 16 -5.989 -12.387 1.226
137 2HZ LYS 16 2HZ LYS 16 -6.836 -11.658 0.012
138 3HZ LYS 16 3HZ LYS 16 -5.778 -12.875 -0.335
139 H LYS 17 H LYS 17 -1.172 -5.669 -1.410
140 HA LYS 17 HA LYS 17 0.632 -7.926 -1.456
141 1HB LYS 17 1HB LYS 17 -0.076 -8.759 -3.440
142 2HB LYS 17 2HB LYS 17 -1.007 -7.292 -3.829
143 1HG LYS 17 1HG LYS 17 2.026 -7.538 -4.027
144 2HG LYS 17 2HG LYS 17 0.902 -7.660 -5.402
145 1HD LYS 17 1HD LYS 17 0.179 -5.301 -3.999
146 2HD LYS 17 2HD LYS 17 1.955 -5.286 -4.109
147 1HE LYS 17 1HE LYS 17 1.080 -6.189 -6.626
148 2HE LYS 17 2HE LYS 17 -0.039 -4.875 -6.202
149 1HZ LYS 17 1HZ LYS 17 1.917 -3.527 -5.722
150 2HZ LYS 17 2HZ LYS 17 2.890 -4.735 -6.282
151 3HZ LYS 17 3HZ LYS 17 1.830 -3.991 -7.303
152 H TRP 18 H TRP 18 -0.268 -4.606 -2.040
153 HA TRP 18 HA TRP 18 2.503 -3.831 -2.676
154 1HB TRP 18 1HB TRP 18 0.059 -2.882 -3.454
155 2HB TRP 18 2HB TRP 18 0.454 -1.769 -2.138
156 HD1 TRP 18 HD TRP 18 0.791 -2.058 -5.705
157 HE1 TRP 18 1HE TRP 18 2.611 -0.558 -6.666
158 HE3 TRP 18 3HE TRP 18 3.267 -0.921 -1.373
159 HZ2 TRP 18 2HZ TRP 18 4.872 0.957 -5.682
160 HZ3 TRP 18 3HZ TRP 18 5.247 0.551 -1.425
161 HH2 TRP 18 HH TRP 18 6.061 1.496 -3.565
162 H LYS 19 H LYS 19 0.023 -3.376 -0.115
163 HA LYS 19 HA LYS 19 1.238 -1.645 1.601
164 1HB LYS 19 1HB LYS 19 -0.925 -3.035 1.868
165 2HB LYS 19 2HB LYS 19 0.119 -4.272 2.608
166 1HG LYS 19 1HG LYS 19 0.653 -1.569 3.637
167 2HG LYS 19 2HG LYS 19 -1.021 -2.100 3.931
168 1HD LYS 19 1HD LYS 19 0.965 -4.219 4.424
169 2HD LYS 19 2HD LYS 19 1.191 -2.795 5.467
170 1HE LYS 19 1HE LYS 19 -1.558 -3.123 5.484
171 2HE LYS 19 2HE LYS 19 -0.974 -4.800 5.445
172 1HZ LYS 19 1HZ LYS 19 0.476 -3.190 7.256
173 2HZ LYS 19 2HZ LYS 19 -1.133 -3.215 7.616
174 3HZ LYS 19 3HZ LYS 19 -0.292 -4.629 7.505
175 H MET 20 H MET 20 1.917 -5.189 1.472
176 HA MET 20 HA MET 20 3.747 -5.575 3.393
177 1HB MET 20 1HB MET 20 5.086 -6.896 1.559
178 2HB MET 20 2HB MET 20 3.424 -7.390 1.961
179 1HG MET 20 1HG MET 20 2.873 -7.105 -0.189
180 2HG MET 20 2HG MET 20 3.153 -5.368 0.022
181 1HE MET 20 1HE MET 20 5.527 -4.511 -2.443
182 2HE MET 20 2HE MET 20 3.961 -5.216 -2.911
183 3HE MET 20 3HE MET 20 4.085 -4.222 -1.439
184 H ARG 21 H ARG 21 4.385 -3.788 0.352
185 HA ARG 21 HA ARG 21 7.092 -3.113 1.317
186 1HB ARG 21 1HB ARG 21 5.600 -2.963 -1.287
187 2HB ARG 21 2HB ARG 21 6.960 -1.846 -1.017
188 1HG ARG 21 1HG ARG 21 8.382 -3.823 -0.388
189 2HG ARG 21 2HG ARG 21 7.028 -4.888 -0.836
190 1HD ARG 21 1HD ARG 21 7.191 -3.279 -3.050
191 2HD ARG 21 2HD ARG 21 8.897 -3.352 -2.558
192 HE ARG 21 HE ARG 21 7.743 -5.974 -2.514
193 1HH1 ARG 21 2HH2 ARG 21 8.861 -3.432 -4.701
194 2HH1 ARG 21 1HH2 ARG 21 9.277 -4.536 -5.992
195 1HH2 ARG 21 2HH1 ARG 21 8.292 -7.433 -4.220
196 2HH2 ARG 21 1HH1 ARG 21 8.953 -6.817 -5.718
197 H ARG 22 H ARG 22 4.023 -1.519 0.322
198 HA ARG 22 HA ARG 22 4.901 1.129 0.919
199 1HB ARG 22 1HB ARG 22 2.958 0.555 -0.528
200 2HB ARG 22 2HB ARG 22 2.085 -0.027 0.910
201 1HG ARG 22 1HG ARG 22 3.082 2.543 1.582
202 2HG ARG 22 2HG ARG 22 2.404 2.690 -0.057
203 1HD ARG 22 1HD ARG 22 0.689 3.100 1.692
204 2HD ARG 22 2HD ARG 22 0.298 1.680 0.698
205 HE ARG 22 HE ARG 22 1.624 0.532 2.758
206 1HH1 ARG 22 2HH2 ARG 22 -0.938 2.966 2.642
207 2HH1 ARG 22 1HH2 ARG 22 -1.642 2.495 4.172
208 1HH2 ARG 22 2HH1 ARG 22 0.693 -0.090 4.779
209 2HH2 ARG 22 1HH1 ARG 22 -0.712 0.753 5.391
210 H ASN 23 H ASN 23 5.195 -1.167 3.006
211 HA ASN 23 HA ASN 23 4.412 0.534 5.283
212 1HB ASN 23 1HB ASN 23 2.828 -1.639 4.484
213 2HB ASN 23 2HB ASN 23 3.809 -2.267 5.825
214 1HD2 ASN 23 1HD2 ASN 23 2.135 -2.370 7.342
215 2HD2 ASN 23 2HD2 ASN 23 1.360 -0.942 7.994
216 H GLN 24 H GLN 24 6.838 -0.682 3.717
217 HA GLN 24 HA GLN 24 8.475 -1.043 6.070
218 1HB GLN 24 1HB GLN 24 7.742 -3.423 4.340
219 2HB GLN 24 2HB GLN 24 9.245 -3.368 5.292
220 1HG GLN 24 1HG GLN 24 7.583 -2.628 7.236
221 2HG GLN 24 2HG GLN 24 6.387 -3.467 6.224
222 1HE2 GLN 24 1HE2 GLN 24 6.016 -5.415 7.144
223 2HE2 GLN 24 2HE2 GLN 24 7.256 -6.543 7.649
224 H PHE 25 H PHE 25 9.370 -2.889 3.273
225 HA PHE 25 HA PHE 25 11.738 -1.728 2.700
226 1HB PHE 25 1HB PHE 25 11.072 -3.607 1.438
227 2HB PHE 25 2HB PHE 25 9.604 -2.804 0.852
228 HD1 PHE 25 1HD PHE 25 10.144 -0.501 -0.478
229 HD2 PHE 25 2HD PHE 25 12.789 -3.863 -0.083
230 HE1 PHE 25 1HE PHE 25 11.346 0.204 -2.530
231 HE2 PHE 25 2HE PHE 25 13.991 -3.158 -2.135
232 HZ PHE 25 HZ PHE 25 13.270 -1.125 -3.358
233 H TRP 26 H TRP 26 8.551 -0.518 1.559
234 HA TRP 26 HA TRP 26 9.280 1.520 -0.115
235 1HB TRP 26 1HB TRP 26 7.219 2.470 0.331
236 2HB TRP 26 2HB TRP 26 6.976 0.794 0.841
237 HD1 TRP 26 HD TRP 26 6.232 0.380 3.248
238 HE1 TRP 26 1HE TRP 26 5.748 1.817 5.295
239 HE3 TRP 26 3HE TRP 26 8.115 4.833 1.570
240 HZ2 TRP 26 2HZ TRP 26 6.127 4.567 6.114
241 HZ3 TRP 26 3HZ TRP 26 8.036 6.836 3.009
242 HH2 TRP 26 HH TRP 26 7.048 6.720 5.278
243 H VAL 27 H VAL 27 9.406 1.551 3.468
244 HA VAL 27 HA VAL 27 10.000 4.164 4.018
245 HB VAL 27 HB VAL 27 11.235 3.362 5.935
246 1HG1 VAL 27 1HG1 VAL 27 9.626 1.025 6.043
247 2HG1 VAL 27 2HG1 VAL 27 9.236 2.638 6.688
248 3HG1 VAL 27 3HG1 VAL 27 8.735 2.193 5.039
249 1HG2 VAL 27 1HG2 VAL 27 12.843 1.869 5.083
250 2HG2 VAL 27 2HG2 VAL 27 11.721 0.787 5.944
251 3HG2 VAL 27 3HG2 VAL 27 11.632 0.935 4.173
252 H LYS 28 H LYS 28 12.283 1.686 2.762
253 HA LYS 28 HA LYS 28 14.574 3.362 2.751
254 1HB LYS 28 1HB LYS 28 13.753 0.899 1.187
255 2HB LYS 28 2HB LYS 28 15.327 1.693 0.942
256 1HG LYS 28 1HG LYS 28 15.824 1.450 3.357
257 2HG LYS 28 2HG LYS 28 14.252 0.649 3.598
258 1HD LYS 28 1HD LYS 28 15.615 -1.210 3.325
259 2HD LYS 28 2HD LYS 28 15.145 -0.920 1.633
260 1HE LYS 28 1HE LYS 28 17.429 0.726 2.338
261 2HE LYS 28 2HE LYS 28 17.766 -0.979 2.710
262 1HZ LYS 28 1HZ LYS 28 16.978 0.178 0.140
263 2HZ LYS 28 2HZ LYS 28 18.365 -0.633 0.511
264 3HZ LYS 28 3HZ LYS 28 16.931 -1.444 0.436
265 H VAL 29 H VAL 29 11.897 2.904 0.456
266 HA VAL 29 HA VAL 29 12.946 4.090 -1.830
267 HB VAL 29 HB VAL 29 10.151 4.332 -0.649
268 1HG1 VAL 29 1HG1 VAL 29 9.759 5.724 -2.383
269 2HG1 VAL 29 2HG1 VAL 29 11.397 5.467 -3.030
270 3HG1 VAL 29 3HG1 VAL 29 10.082 4.350 -3.467
271 1HG2 VAL 29 1HG2 VAL 29 11.122 2.009 -1.061
272 2HG2 VAL 29 2HG2 VAL 29 9.638 2.385 -1.969
273 3HG2 VAL 29 3HG2 VAL 29 11.219 2.445 -2.784
274 H GLN 30 H GLN 30 12.526 5.478 1.277
275 HA GLN 30 HA GLN 30 12.541 8.226 0.141
276 1HB GLN 30 1HB GLN 30 11.557 8.949 2.107
277 2HB GLN 30 2HB GLN 30 10.893 7.300 2.010
278 1HG GLN 30 1HG GLN 30 11.738 7.055 4.103
279 2HG GLN 30 2HG GLN 30 13.299 6.863 3.276
280 1HE2 GLN 30 1HE2 GLN 30 11.405 8.798 5.428
281 2HE2 GLN 30 2HE2 GLN 30 12.554 10.100 5.649
282 H ARG 31 H ARG 31 14.431 5.800 1.797
283 HA ARG 31 HA ARG 31 16.292 6.850 3.319
284 1HB ARG 31 1HB ARG 31 16.391 4.641 2.027
285 2HB ARG 31 2HB ARG 31 17.195 5.555 0.728
286 1HG ARG 31 1HG ARG 31 19.139 5.268 1.838
287 2HG ARG 31 2HG ARG 31 18.498 6.338 3.107
288 1HD ARG 31 1HD ARG 31 17.308 4.224 4.016
289 2HD ARG 31 2HD ARG 31 18.409 3.311 2.961
290 HE ARG 31 HE ARG 31 19.907 5.175 4.525
291 1HH1 ARG 31 2HH2 ARG 31 18.066 2.166 4.779
292 2HH1 ARG 31 1HH2 ARG 31 18.976 1.566 6.147
293 1HH2 ARG 31 2HH1 ARG 31 21.108 4.381 6.332
294 2HH2 ARG 31 1HH1 ARG 31 20.711 2.828 7.032
295 H GLY 32 H GLY 32 16.529 7.373 -0.252
296 1HA GLY 32 1HA GLY 32 16.964 9.468 -1.268
297 2HA GLY 32 2HA GLY 32 17.530 10.103 0.294
Start of MODEL 5
1 HA PRO 1 HA PRO 1 -19.123 1.212 1.888
2 1HB PRO 1 1HB PRO 1 -20.784 2.748 3.406
3 2HB PRO 1 2HB PRO 1 -21.368 1.281 2.556
4 1HG PRO 1 1HG PRO 1 -20.471 1.496 5.444
5 2HG PRO 1 2HG PRO 1 -22.008 0.805 4.830
6 1HD PRO 1 1HD PRO 1 -19.861 -0.778 5.390
7 2HD PRO 1 2HD PRO 1 -20.877 -1.102 3.952
8 HA PRO 2 HA PRO 2 -15.769 3.017 4.422
9 1HB PRO 2 1HB PRO 2 -14.149 3.673 2.331
10 2HB PRO 2 2HB PRO 2 -14.307 1.983 2.912
11 1HG PRO 2 1HG PRO 2 -15.802 3.285 0.618
12 2HG PRO 2 2HG PRO 2 -14.880 1.747 0.582
13 1HD PRO 2 1HD PRO 2 -17.579 1.778 0.964
14 2HD PRO 2 2HD PRO 2 -16.546 0.642 1.883
15 H LEU 3 H LEU 3 -18.281 4.121 2.607
16 HA LEU 3 HA LEU 3 -19.239 6.224 2.578
17 1HB LEU 3 1HB LEU 3 -17.136 6.554 4.430
18 2HB LEU 3 2HB LEU 3 -16.957 7.885 3.262
19 HG LEU 3 HG LEU 3 -18.467 8.668 4.962
20 1HD1 LEU 3 1HD1 LEU 3 -20.731 8.089 3.325
21 2HD1 LEU 3 2HD1 LEU 3 -19.722 9.555 3.314
22 3HD1 LEU 3 3HD1 LEU 3 -19.321 8.191 2.243
23 1HD2 LEU 3 1HD2 LEU 3 -18.973 6.177 5.631
24 2HD2 LEU 3 2HD2 LEU 3 -20.223 7.418 5.891
25 3HD2 LEU 3 3HD2 LEU 3 -20.325 6.332 4.484
26 H SER 4 H SER 4 -16.845 4.945 0.769
27 HA SER 4 HA SER 4 -17.122 7.078 -1.261
28 1HB SER 4 1HB SER 4 -14.435 5.808 -0.660
29 2HB SER 4 2HB SER 4 -14.788 7.225 -1.678
30 HG SER 4 HG SER 4 -15.075 7.014 1.139
31 H GLN 5 H GLN 5 -14.979 5.612 -2.823
32 HA GLN 5 HA GLN 5 -15.521 2.923 -3.222
33 1HB GLN 5 1HB GLN 5 -17.788 4.529 -3.926
34 2HB GLN 5 2HB GLN 5 -17.083 3.877 -5.424
35 1HG GLN 5 1HG GLN 5 -17.172 1.614 -4.549
36 2HG GLN 5 2HG GLN 5 -17.680 2.205 -2.953
37 1HE2 GLN 5 1HE2 GLN 5 -19.571 0.831 -3.109
38 2HE2 GLN 5 2HE2 GLN 5 -20.940 1.322 -4.083
39 H GLU 6 H GLU 6 -15.228 6.068 -4.926
40 HA GLU 6 HA GLU 6 -14.108 5.517 -7.292
41 1HB GLU 6 1HB GLU 6 -13.746 7.586 -5.279
42 2HB GLU 6 2HB GLU 6 -12.242 7.314 -6.190
43 1HG GLU 6 1HG GLU 6 -14.984 7.746 -7.443
44 2HG GLU 6 2HG GLU 6 -13.743 9.005 -7.265
45 H THR 7 H THR 7 -11.815 5.921 -4.546
46 HA THR 7 HA THR 7 -9.953 4.099 -5.889
47 HB THR 7 HB THR 7 -9.239 5.011 -3.197
48 HG1 THR 7 1HG THR 7 -9.385 7.144 -3.567
49 1HG2 THR 7 1HG2 THR 7 -7.686 4.175 -4.969
50 2HG2 THR 7 2HG2 THR 7 -8.100 5.591 -5.964
51 3HG2 THR 7 3HG2 THR 7 -7.263 5.810 -4.409
52 H PHE 8 H PHE 8 -10.290 4.225 -2.374
53 HA PHE 8 HA PHE 8 -9.935 2.092 -1.214
54 1HB PHE 8 1HB PHE 8 -12.920 2.306 -1.526
55 2HB PHE 8 2HB PHE 8 -11.965 1.959 -0.075
56 HD1 PHE 8 1HD PHE 8 -11.967 4.742 -2.610
57 HD2 PHE 8 2HD PHE 8 -12.222 3.606 1.525
58 HE1 PHE 8 1HE PHE 8 -12.085 7.132 -1.961
59 HE2 PHE 8 2HE PHE 8 -12.340 5.996 2.174
60 HZ PHE 8 HZ PHE 8 -12.272 7.760 0.432
61 H SER 9 H SER 9 -12.706 1.755 -3.512
62 HA SER 9 HA SER 9 -13.051 -0.901 -3.658
63 1HB SER 9 1HB SER 9 -14.069 0.873 -5.150
64 2HB SER 9 2HB SER 9 -12.607 0.768 -6.160
65 HG SER 9 HG SER 9 -14.531 -1.232 -5.611
66 H ASP 10 H ASP 10 -10.525 0.726 -5.669
67 HA ASP 10 HA ASP 10 -9.154 -1.887 -5.905
68 1HB ASP 10 1HB ASP 10 -8.112 -1.011 -7.807
69 2HB ASP 10 2HB ASP 10 -9.724 -0.266 -7.866
70 H LEU 11 H LEU 11 -8.925 1.281 -4.400
71 HA LEU 11 HA LEU 11 -6.118 1.251 -3.865
72 1HB LEU 11 1HB LEU 11 -8.069 3.101 -3.640
73 2HB LEU 11 2HB LEU 11 -7.999 2.557 -1.947
74 HG LEU 11 HG LEU 11 -5.466 2.855 -2.084
75 1HD1 LEU 11 1HD1 LEU 11 -6.089 3.232 -4.816
76 2HD1 LEU 11 2HD1 LEU 11 -5.626 4.840 -4.208
77 3HD1 LEU 11 3HD1 LEU 11 -4.507 3.467 -4.034
78 1HD2 LEU 11 1HD2 LEU 11 -7.118 5.365 -2.586
79 2HD2 LEU 11 2HD2 LEU 11 -7.076 4.493 -1.035
80 3HD2 LEU 11 3HD2 LEU 11 -5.595 5.246 -1.674
81 H TRP 12 H TRP 12 -8.847 0.748 -1.549
82 HA TRP 12 HA TRP 12 -7.349 -0.288 0.545
83 1HB TRP 12 1HB TRP 12 -9.380 -0.409 1.443
84 2HB TRP 12 2HB TRP 12 -10.060 0.015 -0.134
85 HD1 TRP 12 HD TRP 12 -11.819 -1.584 -0.932
86 HE1 TRP 12 1HE TRP 12 -12.426 -4.036 -0.608
87 HE3 TRP 12 3HE TRP 12 -7.930 -2.985 2.087
88 HZ2 TRP 12 2HZ TRP 12 -11.361 -6.335 0.791
89 HZ3 TRP 12 3HZ TRP 12 -7.761 -5.310 2.894
90 HH2 TRP 12 HH TRP 12 -9.463 -6.994 2.257
91 H LYS 13 H LYS 13 -8.569 -1.929 -2.378
92 HA LYS 13 HA LYS 13 -7.792 -4.564 -1.487
93 1HB LYS 13 1HB LYS 13 -9.006 -3.296 -3.851
94 2HB LYS 13 2HB LYS 13 -7.926 -4.653 -4.251
95 1HG LYS 13 1HG LYS 13 -9.176 -6.188 -2.969
96 2HG LYS 13 2HG LYS 13 -9.960 -4.901 -2.021
97 1HD LYS 13 1HD LYS 13 -11.394 -4.298 -3.800
98 2HD LYS 13 2HD LYS 13 -10.376 -5.108 -5.015
99 1HE LYS 13 1HE LYS 13 -10.964 -7.216 -3.394
100 2HE LYS 13 2HE LYS 13 -12.434 -6.239 -3.182
101 1HZ LYS 13 1HZ LYS 13 -12.730 -7.677 -4.997
102 2HZ LYS 13 2HZ LYS 13 -12.567 -6.155 -5.610
103 3HZ LYS 13 3HZ LYS 13 -11.313 -7.222 -5.707
104 H LEU 14 H LEU 14 -6.254 -1.889 -3.220
105 HA LEU 14 HA LEU 14 -4.075 -3.364 -4.318
106 1HB LEU 14 1HB LEU 14 -4.906 -0.581 -3.994
107 2HB LEU 14 2HB LEU 14 -3.151 -0.778 -3.774
108 HG LEU 14 HG LEU 14 -4.120 -0.432 -6.198
109 1HD1 LEU 14 1HD1 LEU 14 -2.196 -2.705 -5.542
110 2HD1 LEU 14 2HD1 LEU 14 -2.308 -1.850 -7.099
111 3HD1 LEU 14 3HD1 LEU 14 -1.765 -0.981 -5.643
112 1HD2 LEU 14 1HD2 LEU 14 -4.231 -3.239 -6.723
113 2HD2 LEU 14 2HD2 LEU 14 -5.350 -2.909 -5.379
114 3HD2 LEU 14 3HD2 LEU 14 -5.528 -2.036 -6.920
115 H LEU 15 H LEU 15 -4.510 -1.582 -1.228
116 HA LEU 15 HA LEU 15 -1.868 -1.984 -0.268
117 1HB LEU 15 1HB LEU 15 -4.530 -1.242 0.873
118 2HB LEU 15 2HB LEU 15 -3.284 -1.807 2.012
119 HG LEU 15 HG LEU 15 -2.775 0.343 -0.081
120 1HD1 LEU 15 1HD1 LEU 15 -4.476 1.233 1.374
121 2HD1 LEU 15 2HD1 LEU 15 -3.683 0.555 2.816
122 3HD1 LEU 15 3HD1 LEU 15 -2.922 1.900 1.933
123 1HD2 LEU 15 1HD2 LEU 15 -0.819 0.817 1.320
124 2HD2 LEU 15 2HD2 LEU 15 -1.325 -0.426 2.488
125 3HD2 LEU 15 3HD2 LEU 15 -0.816 -0.899 0.850
126 H LYS 16 H LYS 16 -4.446 -4.185 -0.801
127 HA LYS 16 HA LYS 16 -3.859 -6.023 1.342
128 1HB LYS 16 1HB LYS 16 -5.946 -5.704 -0.340
129 2HB LYS 16 2HB LYS 16 -5.071 -6.988 -1.209
130 1HG LYS 16 1HG LYS 16 -6.606 -8.048 0.341
131 2HG LYS 16 2HG LYS 16 -4.955 -8.270 0.968
132 1HD LYS 16 1HD LYS 16 -5.774 -5.809 2.036
133 2HD LYS 16 2HD LYS 16 -7.220 -6.840 2.152
134 1HE LYS 16 1HE LYS 16 -4.434 -7.608 3.115
135 2HE LYS 16 2HE LYS 16 -5.752 -7.030 4.158
136 1HZ LYS 16 1HZ LYS 16 -6.967 -8.922 3.737
137 2HZ LYS 16 2HZ LYS 16 -6.069 -9.360 2.425
138 3HZ LYS 16 3HZ LYS 16 -5.432 -9.489 3.941
139 H LYS 17 H LYS 17 -1.753 -4.981 -0.782
140 HA LYS 17 HA LYS 17 -0.214 -7.429 -0.764
141 1HB LYS 17 1HB LYS 17 -1.078 -8.243 -2.698
142 2HB LYS 17 2HB LYS 17 -1.796 -6.678 -3.151
143 1HG LYS 17 1HG LYS 17 1.172 -7.349 -3.337
144 2HG LYS 17 2HG LYS 17 0.035 -7.389 -4.706
145 1HD LYS 17 1HD LYS 17 -0.357 -4.885 -3.427
146 2HD LYS 17 2HD LYS 17 1.405 -5.115 -3.535
147 1HE LYS 17 1HE LYS 17 1.186 -5.635 -5.944
148 2HE LYS 17 2HE LYS 17 -0.572 -5.401 -5.835
149 1HZ LYS 17 1HZ LYS 17 -0.163 -3.140 -5.188
150 2HZ LYS 17 2HZ LYS 17 1.468 -3.360 -5.301
151 3HZ LYS 17 3HZ LYS 17 0.527 -3.458 -6.652
152 H TRP 18 H TRP 18 -0.745 -4.052 -1.458
153 HA TRP 18 HA TRP 18 2.076 -3.614 -2.176
154 1HB TRP 18 1HB TRP 18 -0.253 -2.419 -2.939
155 2HB TRP 18 2HB TRP 18 0.270 -1.328 -1.649
156 HD1 TRP 18 HD TRP 18 0.540 -1.729 -5.215
157 HE1 TRP 18 1HE TRP 18 2.491 -0.439 -6.222
158 HE3 TRP 18 3HE TRP 18 3.155 -0.744 -0.926
159 HZ2 TRP 18 2HZ TRP 18 4.900 0.866 -5.289
160 HZ3 TRP 18 3HZ TRP 18 5.270 0.523 -1.026
161 HH2 TRP 18 HH TRP 18 6.154 1.333 -3.193
162 H LYS 19 H LYS 19 -0.263 -2.802 0.428
163 HA LYS 19 HA LYS 19 1.187 -1.176 2.061
164 1HB LYS 19 1HB LYS 19 -1.111 -2.318 2.420
165 2HB LYS 19 2HB LYS 19 -0.184 -3.630 3.186
166 1HG LYS 19 1HG LYS 19 0.584 -2.248 4.922
167 2HG LYS 19 2HG LYS 19 0.303 -0.757 3.992
168 1HD LYS 19 1HD LYS 19 -1.419 -0.940 5.705
169 2HD LYS 19 2HD LYS 19 -2.169 -1.220 4.115
170 1HE LYS 19 1HE LYS 19 -1.419 -3.761 4.763
171 2HE LYS 19 2HE LYS 19 -1.733 -3.099 6.382
172 1HZ LYS 19 1HZ LYS 19 -3.791 -2.260 4.814
173 2HZ LYS 19 2HZ LYS 19 -3.556 -3.835 4.384
174 3HZ LYS 19 3HZ LYS 19 -3.835 -3.443 5.962
175 H MET 20 H MET 20 1.452 -4.778 2.039
176 HA MET 20 HA MET 20 3.284 -5.313 3.920
177 1HB MET 20 1HB MET 20 4.410 -6.834 2.101
178 2HB MET 20 2HB MET 20 2.712 -7.119 2.554
179 1HG MET 20 1HG MET 20 2.149 -6.838 0.407
180 2HG MET 20 2HG MET 20 2.626 -5.139 0.558
181 1HE MET 20 1HE MET 20 3.364 -5.173 -2.396
182 2HE MET 20 2HE MET 20 3.641 -4.151 -0.966
183 3HE MET 20 3HE MET 20 5.012 -4.632 -1.994
184 H ARG 21 H ARG 21 4.030 -3.696 0.809
185 HA ARG 21 HA ARG 21 6.823 -3.308 1.680
186 1HB ARG 21 1HB ARG 21 5.281 -3.073 -0.887
187 2HB ARG 21 2HB ARG 21 6.758 -2.098 -0.690
188 1HG ARG 21 1HG ARG 21 7.984 -4.194 -0.034
189 2HG ARG 21 2HG ARG 21 6.513 -5.123 -0.411
190 1HD ARG 21 1HD ARG 21 6.835 -3.540 -2.666
191 2HD ARG 21 2HD ARG 21 8.511 -3.928 -2.221
192 HE ARG 21 HE ARG 21 6.698 -6.221 -2.218
193 1HH1 ARG 21 2HH2 ARG 21 8.905 -4.189 -4.089
194 2HH1 ARG 21 1HH2 ARG 21 9.239 -5.419 -5.287
195 1HH2 ARG 21 2HH1 ARG 21 7.140 -7.845 -3.801
196 2HH2 ARG 21 1HH1 ARG 21 8.233 -7.503 -5.123
197 H ARG 22 H ARG 22 3.922 -1.408 0.724
198 HA ARG 22 HA ARG 22 5.118 1.139 1.221
199 1HB ARG 22 1HB ARG 22 3.132 0.859 -0.188
200 2HB ARG 22 2HB ARG 22 2.207 0.251 1.206
201 1HG ARG 22 1HG ARG 22 1.996 2.782 0.549
202 2HG ARG 22 2HG ARG 22 2.178 2.350 2.266
203 1HD ARG 22 1HD ARG 22 3.684 4.234 1.453
204 2HD ARG 22 2HD ARG 22 4.518 2.877 2.241
205 HE ARG 22 HE ARG 22 5.627 2.471 0.265
206 1HH1 ARG 22 2HH2 ARG 22 2.678 4.311 -0.379
207 2HH1 ARG 22 1HH2 ARG 22 3.012 4.512 -2.084
208 1HH2 ARG 22 2HH1 ARG 22 6.069 2.737 -1.988
209 2HH2 ARG 22 1HH1 ARG 22 4.945 3.615 -3.001
210 H ASN 23 H ASN 23 5.247 -1.081 3.367
211 HA ASN 23 HA ASN 23 4.668 0.743 5.605
212 1HB ASN 23 1HB ASN 23 2.862 -1.285 4.899
213 2HB ASN 23 2HB ASN 23 3.802 -1.966 6.245
214 1HD2 ASN 23 1HD2 ASN 23 3.238 -1.411 8.284
215 2HD2 ASN 23 2HD2 ASN 23 2.202 -0.066 8.711
216 H GLN 24 H GLN 24 6.928 -0.755 4.033
217 HA GLN 24 HA GLN 24 8.583 -1.190 6.354
218 1HB GLN 24 1HB GLN 24 7.517 -3.555 4.792
219 2HB GLN 24 2HB GLN 24 9.077 -3.626 5.646
220 1HG GLN 24 1HG GLN 24 7.598 -2.587 7.628
221 2HG GLN 24 2HG GLN 24 6.294 -3.412 6.745
222 1HE2 GLN 24 1HE2 GLN 24 6.643 -5.750 6.215
223 2HE2 GLN 24 2HE2 GLN 24 7.527 -6.731 7.365
224 H PHE 25 H PHE 25 9.176 -3.255 3.626
225 HA PHE 25 HA PHE 25 11.639 -2.402 2.931
226 1HB PHE 25 1HB PHE 25 10.721 -4.237 1.769
227 2HB PHE 25 2HB PHE 25 9.332 -3.297 1.199
228 HD1 PHE 25 1HD PHE 25 10.073 -1.124 -0.247
229 HD2 PHE 25 2HD PHE 25 12.341 -4.744 0.205
230 HE1 PHE 25 1HE PHE 25 11.268 -0.640 -2.366
231 HE2 PHE 25 2HE PHE 25 13.536 -4.260 -1.914
232 HZ PHE 25 HZ PHE 25 13.000 -2.208 -3.199
233 H TRP 26 H TRP 26 8.577 -0.873 1.827
234 HA TRP 26 HA TRP 26 9.496 1.000 0.051
235 1HB TRP 26 1HB TRP 26 7.563 2.191 0.490
236 2HB TRP 26 2HB TRP 26 7.145 0.573 1.069
237 HD1 TRP 26 HD TRP 26 6.410 0.334 3.504
238 HE1 TRP 26 1HE TRP 26 6.126 1.893 5.497
239 HE3 TRP 26 3HE TRP 26 8.733 4.487 1.618
240 HZ2 TRP 26 2HZ TRP 26 6.819 4.615 6.199
241 HZ3 TRP 26 3HZ TRP 26 8.901 6.540 2.976
242 HH2 TRP 26 HH TRP 26 7.951 6.621 5.262
243 H VAL 27 H VAL 27 9.678 1.168 3.630
244 HA VAL 27 HA VAL 27 10.572 3.711 4.066
245 HB VAL 27 HB VAL 27 11.747 2.851 5.995
246 1HG1 VAL 27 1HG1 VAL 27 9.119 1.940 5.186
247 2HG1 VAL 27 2HG1 VAL 27 9.895 0.704 6.205
248 3HG1 VAL 27 3HG1 VAL 27 9.703 2.366 6.813
249 1HG2 VAL 27 1HG2 VAL 27 11.879 0.354 4.301
250 2HG2 VAL 27 2HG2 VAL 27 13.171 1.160 5.223
251 3HG2 VAL 27 3HG2 VAL 27 11.923 0.221 6.076
252 H LYS 28 H LYS 28 12.522 0.959 2.830
253 HA LYS 28 HA LYS 28 14.989 2.379 2.728
254 1HB LYS 28 1HB LYS 28 13.885 -0.052 1.290
255 2HB LYS 28 2HB LYS 28 15.531 0.558 0.996
256 1HG LYS 28 1HG LYS 28 14.536 0.048 3.812
257 2HG LYS 28 2HG LYS 28 15.207 -1.271 2.824
258 1HD LYS 28 1HD LYS 28 17.259 -0.588 3.476
259 2HD LYS 28 2HD LYS 28 17.005 0.871 2.490
260 1HE LYS 28 1HE LYS 28 16.235 2.129 4.333
261 2HE LYS 28 2HE LYS 28 15.897 0.677 5.299
262 1HZ LYS 28 1HZ LYS 28 18.533 1.742 4.579
263 2HZ LYS 28 2HZ LYS 28 17.855 1.690 6.081
264 3HZ LYS 28 3HZ LYS 28 18.294 0.291 5.326
265 H VAL 29 H VAL 29 12.258 2.043 0.462
266 HA VAL 29 HA VAL 29 13.341 2.999 -1.888
267 HB VAL 29 HB VAL 29 10.651 3.647 -0.621
268 1HG1 VAL 29 1HG1 VAL 29 10.085 3.846 -3.178
269 2HG1 VAL 29 2HG1 VAL 29 10.843 5.228 -2.349
270 3HG1 VAL 29 3HG1 VAL 29 11.830 4.146 -3.361
271 1HG2 VAL 29 1HG2 VAL 29 11.322 1.211 -1.017
272 2HG2 VAL 29 2HG2 VAL 29 9.844 1.749 -1.852
273 3HG2 VAL 29 3HG2 VAL 29 11.372 1.601 -2.754
274 H GLN 30 H GLN 30 13.155 4.619 1.147
275 HA GLN 30 HA GLN 30 13.426 7.283 -0.117
276 1HB GLN 30 1HB GLN 30 12.640 8.138 1.846
277 2HB GLN 30 2HB GLN 30 12.012 6.487 2.066
278 1HG GLN 30 1HG GLN 30 14.195 5.908 3.211
279 2HG GLN 30 2HG GLN 30 14.616 7.633 3.147
280 1HE2 GLN 30 1HE2 GLN 30 14.447 6.296 5.595
281 2HE2 GLN 30 2HE2 GLN 30 13.055 6.882 6.480
282 H ARG 31 H ARG 31 15.144 4.946 1.984
283 HA ARG 31 HA ARG 31 17.293 5.159 2.906
284 1HB ARG 31 1HB ARG 31 17.574 3.808 0.930
285 2HB ARG 31 2HB ARG 31 17.589 5.246 -0.119
286 1HG ARG 31 1HG ARG 31 19.578 5.608 1.921
287 2HG ARG 31 2HG ARG 31 19.803 3.992 1.210
288 1HD ARG 31 1HD ARG 31 19.910 4.918 -1.025
289 2HD ARG 31 2HD ARG 31 19.453 6.529 -0.432
290 HE ARG 31 HE ARG 31 21.744 5.926 0.982
291 1HH1 ARG 31 2HH2 ARG 31 20.839 6.033 -2.434
292 2HH1 ARG 31 1HH2 ARG 31 22.440 6.470 -2.986
293 1HH2 ARG 31 2HH1 ARG 31 23.860 6.503 0.253
294 2HH2 ARG 31 1HH1 ARG 31 24.162 6.738 -1.454
295 H GLY 32 H GLY 32 17.108 7.233 3.971
296 1HA GLY 32 1HA GLY 32 19.141 9.034 3.443
297 2HA GLY 32 2HA GLY 32 17.734 9.674 2.565
Start of MODEL 6
1 HA PRO 1 HA PRO 1 -16.592 12.178 1.426
2 1HB PRO 1 1HB PRO 1 -19.272 12.150 1.916
3 2HB PRO 1 2HB PRO 1 -18.237 13.532 2.401
4 1HG PRO 1 1HG PRO 1 -19.900 13.276 -0.121
5 2HG PRO 1 2HG PRO 1 -19.908 14.631 1.055
6 1HD PRO 1 1HD PRO 1 -18.404 14.729 -1.216
7 2HD PRO 1 2HD PRO 1 -17.757 15.361 0.329
8 HA PRO 2 HA PRO 2 -17.726 9.324 -2.048
9 1HB PRO 2 1HB PRO 2 -15.474 7.793 -1.955
10 2HB PRO 2 2HB PRO 2 -15.491 9.401 -2.749
11 1HG PRO 2 1HG PRO 2 -14.613 8.758 0.080
12 2HG PRO 2 2HG PRO 2 -13.695 9.667 -1.164
13 1HD PRO 2 1HD PRO 2 -15.186 10.951 0.722
14 2HD PRO 2 2HD PRO 2 -15.155 11.542 -0.967
15 H LEU 3 H LEU 3 -17.598 9.374 1.247
16 HA LEU 3 HA LEU 3 -18.002 7.847 2.931
17 1HB LEU 3 1HB LEU 3 -20.045 7.798 0.905
18 2HB LEU 3 2HB LEU 3 -19.876 6.165 1.593
19 HG LEU 3 HG LEU 3 -21.490 7.537 2.890
20 1HD1 LEU 3 1HD1 LEU 3 -20.308 5.838 4.125
21 2HD1 LEU 3 2HD1 LEU 3 -18.846 6.847 4.230
22 3HD1 LEU 3 3HD1 LEU 3 -20.309 7.304 5.135
23 1HD2 LEU 3 1HD2 LEU 3 -19.066 9.351 3.119
24 2HD2 LEU 3 2HD2 LEU 3 -20.710 9.764 2.576
25 3HD2 LEU 3 3HD2 LEU 3 -20.402 9.413 4.293
26 H SER 4 H SER 4 -15.780 7.147 1.100
27 HA SER 4 HA SER 4 -14.305 5.387 0.987
28 1HB SER 4 1HB SER 4 -16.408 3.688 2.373
29 2HB SER 4 2HB SER 4 -14.651 3.410 2.299
30 HG SER 4 HG SER 4 -14.408 5.391 3.458
31 H GLN 5 H GLN 5 -14.051 4.793 -1.083
32 HA GLN 5 HA GLN 5 -15.257 2.564 -2.230
33 1HB GLN 5 1HB GLN 5 -17.017 4.853 -2.226
34 2HB GLN 5 2HB GLN 5 -16.558 4.461 -3.901
35 1HG GLN 5 1HG GLN 5 -17.349 2.224 -3.706
36 2HG GLN 5 2HG GLN 5 -17.435 2.325 -1.934
37 1HE2 GLN 5 1HE2 GLN 5 -19.593 1.946 -1.574
38 2HE2 GLN 5 2HE2 GLN 5 -20.882 2.949 -2.206
39 H GLU 6 H GLU 6 -14.469 5.961 -3.174
40 HA GLU 6 HA GLU 6 -13.419 5.682 -5.643
41 1HB GLU 6 1HB GLU 6 -12.976 7.425 -3.384
42 2HB GLU 6 2HB GLU 6 -11.433 7.134 -4.223
43 1HG GLU 6 1HG GLU 6 -13.036 7.487 -6.370
44 2HG GLU 6 2HG GLU 6 -13.918 8.483 -5.193
45 H THR 7 H THR 7 -11.244 5.345 -2.780
46 HA THR 7 HA THR 7 -9.406 3.746 -4.409
47 HB THR 7 HB THR 7 -8.809 3.933 -1.554
48 HG1 THR 7 1HG THR 7 -9.359 6.292 -3.035
49 1HG2 THR 7 1HG2 THR 7 -6.721 4.804 -2.409
50 2HG2 THR 7 2HG2 THR 7 -7.243 3.500 -3.503
51 3HG2 THR 7 3HG2 THR 7 -7.468 5.201 -3.976
52 H PHE 8 H PHE 8 -9.923 3.059 -0.993
53 HA PHE 8 HA PHE 8 -9.821 0.721 -0.324
54 1HB PHE 8 1HB PHE 8 -12.751 1.207 -0.835
55 2HB PHE 8 2HB PHE 8 -11.971 0.441 0.559
56 HD1 PHE 8 1HD PHE 8 -11.541 3.753 -1.176
57 HD2 PHE 8 2HD PHE 8 -12.323 1.658 2.491
58 HE1 PHE 8 1HE PHE 8 -11.598 5.911 0.044
59 HE2 PHE 8 2HE PHE 8 -12.381 3.816 3.712
60 HZ PHE 8 HZ PHE 8 -12.018 5.942 2.488
61 H SER 9 H SER 9 -12.381 1.066 -2.853
62 HA SER 9 HA SER 9 -12.804 -1.463 -3.634
63 1HB SER 9 1HB SER 9 -13.637 0.631 -4.761
64 2HB SER 9 2HB SER 9 -12.082 0.722 -5.622
65 HG SER 9 HG SER 9 -14.209 -1.022 -5.947
66 H ASP 10 H ASP 10 -10.051 0.430 -5.014
67 HA ASP 10 HA ASP 10 -8.724 -2.161 -5.610
68 1HB ASP 10 1HB ASP 10 -8.886 0.480 -6.909
69 2HB ASP 10 2HB ASP 10 -7.235 -0.171 -6.812
70 H LEU 11 H LEU 11 -8.670 0.612 -3.538
71 HA LEU 11 HA LEU 11 -5.868 0.685 -2.968
72 1HB LEU 11 1HB LEU 11 -7.918 2.314 -2.406
73 2HB LEU 11 2HB LEU 11 -7.896 1.398 -0.881
74 HG LEU 11 HG LEU 11 -5.755 3.154 -2.087
75 1HD1 LEU 11 1HD1 LEU 11 -7.530 3.160 0.193
76 2HD1 LEU 11 2HD1 LEU 11 -5.844 3.145 0.763
77 3HD1 LEU 11 3HD1 LEU 11 -6.398 4.426 -0.342
78 1HD2 LEU 11 1HD2 LEU 11 -5.375 0.786 -0.216
79 2HD2 LEU 11 2HD2 LEU 11 -4.549 1.101 -1.760
80 3HD2 LEU 11 3HD2 LEU 11 -4.202 2.119 -0.341
81 H TRP 12 H TRP 12 -8.493 -0.396 -0.743
82 HA TRP 12 HA TRP 12 -6.870 -1.825 1.004
83 1HB TRP 12 1HB TRP 12 -8.842 -2.150 1.977
84 2HB TRP 12 2HB TRP 12 -9.614 -1.408 0.569
85 HD1 TRP 12 HD TRP 12 -11.429 -2.816 -0.437
86 HE1 TRP 12 1HE TRP 12 -12.028 -5.286 -0.603
87 HE3 TRP 12 3HE TRP 12 -7.369 -4.794 1.971
88 HZ2 TRP 12 2HZ TRP 12 -10.891 -7.820 0.208
89 HZ3 TRP 12 3HZ TRP 12 -7.162 -7.236 2.255
90 HH2 TRP 12 HH TRP 12 -8.910 -8.760 1.382
91 H LYS 13 H LYS 13 -8.294 -2.846 -2.107
92 HA LYS 13 HA LYS 13 -7.514 -5.600 -1.850
93 1HB LYS 13 1HB LYS 13 -9.201 -4.258 -3.476
94 2HB LYS 13 2HB LYS 13 -7.782 -4.349 -4.546
95 1HG LYS 13 1HG LYS 13 -8.320 -6.874 -3.130
96 2HG LYS 13 2HG LYS 13 -9.665 -6.364 -4.178
97 1HD LYS 13 1HD LYS 13 -8.494 -6.838 -6.054
98 2HD LYS 13 2HD LYS 13 -7.065 -5.957 -5.464
99 1HE LYS 13 1HE LYS 13 -6.347 -7.874 -4.162
100 2HE LYS 13 2HE LYS 13 -7.852 -8.744 -4.530
101 1HZ LYS 13 1HZ LYS 13 -5.792 -7.958 -6.467
102 2HZ LYS 13 2HZ LYS 13 -6.078 -9.484 -5.912
103 3HZ LYS 13 3HZ LYS 13 -7.207 -8.718 -6.839
104 H LEU 14 H LEU 14 -5.947 -2.638 -2.986
105 HA LEU 14 HA LEU 14 -3.776 -3.989 -4.330
106 1HB LEU 14 1HB LEU 14 -4.467 -1.186 -3.513
107 2HB LEU 14 2HB LEU 14 -2.767 -1.558 -3.887
108 HG LEU 14 HG LEU 14 -4.845 -1.030 -5.733
109 1HD1 LEU 14 1HD1 LEU 14 -3.085 -1.400 -7.378
110 2HD1 LEU 14 2HD1 LEU 14 -2.370 -0.635 -5.939
111 3HD1 LEU 14 3HD1 LEU 14 -2.156 -2.380 -6.217
112 1HD2 LEU 14 1HD2 LEU 14 -5.327 -3.018 -6.856
113 2HD2 LEU 14 2HD2 LEU 14 -3.888 -3.848 -6.216
114 3HD2 LEU 14 3HD2 LEU 14 -5.301 -3.578 -5.166
115 H LEU 15 H LEU 15 -4.340 -2.632 -1.071
116 HA LEU 15 HA LEU 15 -1.655 -2.956 -0.149
117 1HB LEU 15 1HB LEU 15 -4.297 -2.261 0.941
118 2HB LEU 15 2HB LEU 15 -3.283 -3.170 2.087
119 HG LEU 15 HG LEU 15 -1.636 -1.528 2.143
120 1HD1 LEU 15 1HD1 LEU 15 -1.780 0.304 0.175
121 2HD1 LEU 15 2HD1 LEU 15 -0.878 -1.219 -0.014
122 3HD1 LEU 15 3HD1 LEU 15 -2.520 -1.069 -0.684
123 1HD2 LEU 15 1HD2 LEU 15 -2.973 0.770 1.771
124 2HD2 LEU 15 2HD2 LEU 15 -4.360 -0.343 1.717
125 3HD2 LEU 15 3HD2 LEU 15 -3.312 -0.297 3.155
126 H LYS 16 H LYS 16 -4.045 -5.223 -1.007
127 HA LYS 16 HA LYS 16 -3.422 -7.237 0.977
128 1HB LYS 16 1HB LYS 16 -5.409 -6.815 -0.938
129 2HB LYS 16 2HB LYS 16 -4.496 -8.206 -1.569
130 1HG LYS 16 1HG LYS 16 -4.674 -8.770 1.144
131 2HG LYS 16 2HG LYS 16 -6.249 -8.018 0.794
132 1HD LYS 16 1HD LYS 16 -5.248 -10.008 -1.198
133 2HD LYS 16 2HD LYS 16 -5.753 -10.651 0.383
134 1HE LYS 16 1HE LYS 16 -7.686 -8.699 -0.416
135 2HE LYS 16 2HE LYS 16 -7.397 -9.766 -1.808
136 1HZ LYS 16 1HZ LYS 16 -9.051 -10.750 -0.544
137 2HZ LYS 16 2HZ LYS 16 -7.692 -11.618 -0.198
138 3HZ LYS 16 3HZ LYS 16 -8.263 -10.513 0.885
139 H LYS 17 H LYS 17 -1.330 -5.875 -0.960
140 HA LYS 17 HA LYS 17 0.351 -8.205 -1.148
141 1HB LYS 17 1HB LYS 17 0.336 -8.657 -3.411
142 2HB LYS 17 2HB LYS 17 -1.370 -8.197 -3.190
143 1HG LYS 17 1HG LYS 17 -0.485 -6.997 -5.117
144 2HG LYS 17 2HG LYS 17 -0.744 -5.834 -3.795
145 1HD LYS 17 1HD LYS 17 1.440 -5.278 -3.815
146 2HD LYS 17 2HD LYS 17 1.899 -6.978 -3.555
147 1HE LYS 17 1HE LYS 17 1.033 -6.029 -6.290
148 2HE LYS 17 2HE LYS 17 2.698 -5.754 -5.733
149 1HZ LYS 17 1HZ LYS 17 2.164 -7.868 -6.982
150 2HZ LYS 17 2HZ LYS 17 3.082 -7.988 -5.617
151 3HZ LYS 17 3HZ LYS 17 1.485 -8.400 -5.576
152 H TRP 18 H TRP 18 -0.386 -4.856 -2.139
153 HA TRP 18 HA TRP 18 2.359 -4.159 -2.663
154 1HB TRP 18 1HB TRP 18 -0.015 -3.057 -3.272
155 2HB TRP 18 2HB TRP 18 0.362 -2.109 -1.826
156 HD1 TRP 18 HD TRP 18 0.771 -2.014 -5.413
157 HE1 TRP 18 1HE TRP 18 2.577 -0.383 -6.163
158 HE3 TRP 18 3HE TRP 18 3.109 -1.278 -0.920
159 HZ2 TRP 18 2HZ TRP 18 4.776 1.071 -4.967
160 HZ3 TRP 18 3HZ TRP 18 5.053 0.235 -0.765
161 HH2 TRP 18 HH TRP 18 5.897 1.413 -2.774
162 H LYS 19 H LYS 19 0.128 -3.762 0.125
163 HA LYS 19 HA LYS 19 1.509 -2.199 1.847
164 1HB LYS 19 1HB LYS 19 -0.595 -3.409 2.372
165 2HB LYS 19 2HB LYS 19 0.333 -4.917 2.552
166 1HG LYS 19 1HG LYS 19 1.522 -4.079 4.446
167 2HG LYS 19 2HG LYS 19 0.996 -2.408 4.131
168 1HD LYS 19 1HD LYS 19 -0.706 -2.788 5.568
169 2HD LYS 19 2HD LYS 19 -1.394 -3.870 4.334
170 1HE LYS 19 1HE LYS 19 0.280 -5.631 5.341
171 2HE LYS 19 2HE LYS 19 0.285 -4.550 6.751
172 1HZ LYS 19 1HZ LYS 19 -1.501 -6.463 6.303
173 2HZ LYS 19 2HZ LYS 19 -1.751 -5.157 7.279
174 3HZ LYS 19 3HZ LYS 19 -2.307 -5.145 5.726
175 H MET 20 H MET 20 2.324 -5.595 1.038
176 HA MET 20 HA MET 20 4.230 -6.313 2.785
177 1HB MET 20 1HB MET 20 4.211 -7.829 1.092
178 2HB MET 20 2HB MET 20 3.932 -6.586 -0.151
179 1HG MET 20 1HG MET 20 6.480 -6.002 0.789
180 2HG MET 20 2HG MET 20 6.445 -7.773 0.804
181 1HE MET 20 1HE MET 20 4.376 -5.537 -1.817
182 2HE MET 20 2HE MET 20 5.745 -4.576 -1.208
183 3HE MET 20 3HE MET 20 5.717 -5.110 -2.906
184 H ARG 21 H ARG 21 4.705 -3.860 0.207
185 HA ARG 21 HA ARG 21 7.347 -3.207 1.377
186 1HB ARG 21 1HB ARG 21 5.959 -2.631 -1.247
187 2HB ARG 21 2HB ARG 21 7.366 -1.673 -0.726
188 1HG ARG 21 1HG ARG 21 8.817 -3.493 -0.837
189 2HG ARG 21 2HG ARG 21 7.514 -4.680 -0.591
190 1HD ARG 21 1HD ARG 21 6.668 -3.620 -2.915
191 2HD ARG 21 2HD ARG 21 8.406 -3.301 -3.095
192 HE ARG 21 HE ARG 21 8.338 -5.929 -2.320
193 1HH1 ARG 21 2HH2 ARG 21 6.720 -4.051 -4.840
194 2HH1 ARG 21 1HH2 ARG 21 6.600 -5.394 -5.955
195 1HH2 ARG 21 2HH1 ARG 21 8.180 -7.703 -3.792
196 2HH2 ARG 21 1HH1 ARG 21 7.432 -7.476 -5.357
197 H ARG 22 H ARG 22 4.194 -1.728 0.492
198 HA ARG 22 HA ARG 22 4.812 0.881 1.435
199 1HB ARG 22 1HB ARG 22 2.907 0.285 -0.064
200 2HB ARG 22 2HB ARG 22 2.114 -0.523 1.310
201 1HG ARG 22 1HG ARG 22 2.886 2.033 2.258
202 2HG ARG 22 2HG ARG 22 2.190 2.304 0.642
203 1HD ARG 22 1HD ARG 22 0.428 2.379 2.354
204 2HD ARG 22 2HD ARG 22 0.198 0.976 1.289
205 HE ARG 22 HE ARG 22 1.680 -0.058 3.345
206 1HH1 ARG 22 2HH2 ARG 22 -1.284 1.861 3.165
207 2HH1 ARG 22 1HH2 ARG 22 -1.973 1.186 4.625
208 1HH2 ARG 22 2HH1 ARG 22 0.771 -0.950 5.274
209 2HH2 ARG 22 1HH1 ARG 22 -0.801 -0.417 5.827
210 H ASN 23 H ASN 23 5.317 -1.648 3.215
211 HA ASN 23 HA ASN 23 4.338 -0.337 5.685
212 1HB ASN 23 1HB ASN 23 3.070 -2.553 4.657
213 2HB ASN 23 2HB ASN 23 4.271 -3.288 5.741
214 1HD2 ASN 23 1HD2 ASN 23 2.833 -3.968 7.339
215 2HD2 ASN 23 2HD2 ASN 23 1.937 -2.853 8.348
216 H GLN 24 H GLN 24 6.921 -0.953 3.981
217 HA GLN 24 HA GLN 24 8.696 -1.069 6.198
218 1HB GLN 24 1HB GLN 24 9.652 -3.405 5.251
219 2HB GLN 24 2HB GLN 24 8.471 -3.320 6.581
220 1HG GLN 24 1HG GLN 24 6.735 -4.059 5.270
221 2HG GLN 24 2HG GLN 24 7.374 -3.287 3.803
222 1HE2 GLN 24 1HE2 GLN 24 7.482 -6.137 5.892
223 2HE2 GLN 24 2HE2 GLN 24 8.365 -7.166 4.786
224 H PHE 25 H PHE 25 9.556 -3.017 3.428
225 HA PHE 25 HA PHE 25 11.780 -1.775 2.606
226 1HB PHE 25 1HB PHE 25 11.111 -3.652 1.379
227 2HB PHE 25 2HB PHE 25 9.521 -2.966 1.007
228 HD1 PHE 25 1HD PHE 25 9.709 -0.615 -0.349
229 HD2 PHE 25 2HD PHE 25 12.608 -3.784 -0.372
230 HE1 PHE 25 1HE PHE 25 10.564 0.183 -2.536
231 HE2 PHE 25 2HE PHE 25 13.463 -2.986 -2.559
232 HZ PHE 25 HZ PHE 25 12.441 -1.002 -3.641
233 H TRP 26 H TRP 26 8.467 -0.593 1.962
234 HA TRP 26 HA TRP 26 9.026 1.468 0.175
235 1HB TRP 26 1HB TRP 26 6.944 2.306 0.731
236 2HB TRP 26 2HB TRP 26 6.805 0.612 1.220
237 HD1 TRP 26 HD TRP 26 6.223 0.117 3.661
238 HE1 TRP 26 1HE TRP 26 5.757 1.497 5.750
239 HE3 TRP 26 3HE TRP 26 7.743 4.697 1.957
240 HZ2 TRP 26 2HZ TRP 26 6.008 4.255 6.590
241 HZ3 TRP 26 3HZ TRP 26 7.614 6.674 3.428
242 HH2 TRP 26 HH TRP 26 6.751 6.471 5.741
243 H VAL 27 H VAL 27 9.282 1.449 3.754
244 HA VAL 27 HA VAL 27 9.781 4.060 4.348
245 HB VAL 27 HB VAL 27 11.110 3.287 6.190
246 1HG1 VAL 27 1HG1 VAL 27 9.310 2.226 7.034
247 2HG1 VAL 27 2HG1 VAL 27 8.682 2.015 5.383
248 3HG1 VAL 27 3HG1 VAL 27 9.717 0.762 6.108
249 1HG2 VAL 27 1HG2 VAL 27 12.819 2.019 5.088
250 2HG2 VAL 27 2HG2 VAL 27 11.963 0.869 6.143
251 3HG2 VAL 27 3HG2 VAL 27 11.631 0.889 4.394
252 H LYS 28 H LYS 28 12.148 1.752 2.927
253 HA LYS 28 HA LYS 28 14.324 3.569 2.833
254 1HB LYS 28 1HB LYS 28 13.575 1.085 1.268
255 2HB LYS 28 2HB LYS 28 15.076 1.985 0.942
256 1HG LYS 28 1HG LYS 28 16.062 1.270 2.867
257 2HG LYS 28 2HG LYS 28 14.566 1.462 3.813
258 1HD LYS 28 1HD LYS 28 14.212 -0.760 3.704
259 2HD LYS 28 2HD LYS 28 14.161 -0.665 1.927
260 1HE LYS 28 1HE LYS 28 16.433 -1.168 1.702
261 2HE LYS 28 2HE LYS 28 16.820 -0.630 3.351
262 1HZ LYS 28 1HZ LYS 28 16.254 -2.590 4.186
263 2HZ LYS 28 2HZ LYS 28 15.010 -2.847 3.133
264 3HZ LYS 28 3HZ LYS 28 16.563 -3.146 2.664
265 H VAL 29 H VAL 29 11.617 2.920 0.600
266 HA VAL 29 HA VAL 29 12.445 4.220 -1.688
267 HB VAL 29 HB VAL 29 9.718 4.300 -0.338
268 1HG1 VAL 29 1HG1 VAL 29 10.767 5.485 -2.821
269 2HG1 VAL 29 2HG1 VAL 29 9.380 4.405 -3.098
270 3HG1 VAL 29 3HG1 VAL 29 9.226 5.783 -1.981
271 1HG2 VAL 29 1HG2 VAL 29 10.776 2.043 -0.879
272 2HG2 VAL 29 2HG2 VAL 29 9.222 2.366 -1.685
273 3HG2 VAL 29 3HG2 VAL 29 10.746 2.531 -2.590
274 H GLN 30 H GLN 30 12.063 5.559 1.464
275 HA GLN 30 HA GLN 30 11.807 8.311 0.408
276 1HB GLN 30 1HB GLN 30 10.962 8.861 2.453
277 2HB GLN 30 2HB GLN 30 10.658 7.111 2.563
278 1HG GLN 30 1HG GLN 30 12.954 6.865 3.596
279 2HG GLN 30 2HG GLN 30 13.057 8.638 3.646
280 1HE2 GLN 30 1HE2 GLN 30 13.232 8.491 5.981
281 2HE2 GLN 30 2HE2 GLN 30 11.800 8.232 6.955
282 H ARG 31 H ARG 31 14.005 6.188 2.276
283 HA ARG 31 HA ARG 31 16.119 6.721 3.144
284 1HB ARG 31 1HB ARG 31 16.556 5.593 1.060
285 2HB ARG 31 2HB ARG 31 16.262 7.082 0.129
286 1HG ARG 31 1HG ARG 31 18.298 8.010 0.706
287 2HG ARG 31 2HG ARG 31 18.350 7.180 2.280
288 1HD ARG 31 1HD ARG 31 19.880 5.846 1.241
289 2HD ARG 31 2HD ARG 31 18.437 5.042 0.587
290 HE ARG 31 HE ARG 31 19.314 7.296 -1.026
291 1HH1 ARG 31 2HH2 ARG 31 19.776 3.865 -0.306
292 2HH1 ARG 31 1HH2 ARG 31 20.431 3.482 -1.883
293 1HH2 ARG 31 2HH1 ARG 31 20.180 6.790 -3.108
294 2HH2 ARG 31 1HH1 ARG 31 20.661 5.150 -3.480
295 H GLY 32 H GLY 32 15.590 8.645 4.372
296 1HA GLY 32 1HA GLY 32 17.189 10.896 3.632
297 2HA GLY 32 2HA GLY 32 15.469 11.253 3.358
Start of MODEL 7
1 HA PRO 1 HA PRO 1 -10.817 9.736 0.312
2 1HB PRO 1 1HB PRO 1 -12.170 7.416 0.771
3 2HB PRO 1 2HB PRO 1 -10.479 7.649 1.322
4 1HG PRO 1 1HG PRO 1 -13.011 8.055 2.939
5 2HG PRO 1 2HG PRO 1 -11.581 7.068 3.386
6 1HD PRO 1 1HD PRO 1 -11.871 9.631 4.268
7 2HD PRO 1 2HD PRO 1 -10.267 9.022 3.759
8 HA PRO 2 HA PRO 2 -14.822 10.828 -1.157
9 1HB PRO 2 1HB PRO 2 -15.393 9.007 -3.101
10 2HB PRO 2 2HB PRO 2 -14.007 10.137 -3.242
11 1HG PRO 2 1HG PRO 2 -13.952 7.276 -2.239
12 2HG PRO 2 2HG PRO 2 -12.918 8.003 -3.511
13 1HD PRO 2 1HD PRO 2 -12.068 7.806 -0.929
14 2HD PRO 2 2HD PRO 2 -11.705 9.269 -1.895
15 H LEU 3 H LEU 3 -14.305 7.981 0.613
16 HA LEU 3 HA LEU 3 -15.740 6.345 1.450
17 1HB LEU 3 1HB LEU 3 -16.204 8.994 2.434
18 2HB LEU 3 2HB LEU 3 -17.770 8.150 2.368
19 HG LEU 3 HG LEU 3 -15.515 6.511 3.386
20 1HD1 LEU 3 1HD1 LEU 3 -15.894 7.673 5.699
21 2HD1 LEU 3 2HD1 LEU 3 -14.778 8.430 4.537
22 3HD1 LEU 3 3HD1 LEU 3 -16.430 9.065 4.728
23 1HD2 LEU 3 1HD2 LEU 3 -17.633 6.597 5.216
24 2HD2 LEU 3 2HD2 LEU 3 -18.421 6.812 3.635
25 3HD2 LEU 3 3HD2 LEU 3 -17.400 5.385 3.934
26 H SER 4 H SER 4 -16.184 6.228 -1.196
27 HA SER 4 HA SER 4 -19.105 5.814 -1.304
28 1HB SER 4 1HB SER 4 -18.105 8.108 -2.368
29 2HB SER 4 2HB SER 4 -17.902 7.005 -3.751
30 HG SER 4 HG SER 4 -20.300 6.740 -2.446
31 H GLN 5 H GLN 5 -16.296 4.388 -1.287
32 HA GLN 5 HA GLN 5 -15.811 2.226 -2.008
33 1HB GLN 5 1HB GLN 5 -17.336 1.039 -3.203
34 2HB GLN 5 2HB GLN 5 -18.385 2.448 -2.916
35 1HG GLN 5 1HG GLN 5 -17.172 3.398 -5.069
36 2HG GLN 5 2HG GLN 5 -16.841 1.681 -5.388
37 1HE2 GLN 5 1HE2 GLN 5 -18.729 3.871 -6.570
38 2HE2 GLN 5 2HE2 GLN 5 -20.271 3.049 -6.683
39 H GLU 6 H GLU 6 -15.861 5.148 -3.845
40 HA GLU 6 HA GLU 6 -14.680 4.698 -6.232
41 1HB GLU 6 1HB GLU 6 -14.813 6.836 -4.410
42 2HB GLU 6 2HB GLU 6 -13.083 6.657 -4.786
43 1HG GLU 6 1HG GLU 6 -13.678 7.960 -6.583
44 2HG GLU 6 2HG GLU 6 -14.075 6.371 -7.273
45 H THR 7 H THR 7 -12.835 4.791 -3.127
46 HA THR 7 HA THR 7 -10.586 3.463 -4.522
47 HB THR 7 HB THR 7 -10.119 4.067 -1.728
48 HG1 THR 7 1HG THR 7 -10.759 6.087 -1.630
49 1HG2 THR 7 1HG2 THR 7 -8.186 4.074 -2.965
50 2HG2 THR 7 2HG2 THR 7 -9.008 4.644 -4.438
51 3HG2 THR 7 3HG2 THR 7 -8.583 5.799 -3.152
52 H PHE 8 H PHE 8 -11.208 3.152 -1.066
53 HA PHE 8 HA PHE 8 -10.720 0.900 -0.166
54 1HB PHE 8 1HB PHE 8 -13.700 0.968 -0.528
55 2HB PHE 8 2HB PHE 8 -12.748 0.562 0.909
56 HD1 PHE 8 1HD PHE 8 -12.950 3.551 -1.372
57 HD2 PHE 8 2HD PHE 8 -13.113 2.040 2.645
58 HE1 PHE 8 1HE PHE 8 -13.256 5.858 -0.517
59 HE2 PHE 8 2HE PHE 8 -13.419 4.347 3.501
60 HZ PHE 8 HZ PHE 8 -13.490 6.257 1.920
61 H SER 9 H SER 9 -13.426 0.708 -2.556
62 HA SER 9 HA SER 9 -13.612 -1.926 -3.035
63 1HB SER 9 1HB SER 9 -14.663 0.040 -4.313
64 2HB SER 9 2HB SER 9 -13.221 -0.013 -5.355
65 HG SER 9 HG SER 9 -15.205 -1.978 -4.949
66 H ASP 10 H ASP 10 -11.132 0.104 -4.706
67 HA ASP 10 HA ASP 10 -9.580 -2.390 -5.172
68 1HB ASP 10 1HB ASP 10 -9.996 0.161 -6.642
69 2HB ASP 10 2HB ASP 10 -8.340 -0.483 -6.661
70 H LEU 11 H LEU 11 -9.697 0.601 -3.402
71 HA LEU 11 HA LEU 11 -6.888 0.949 -2.979
72 1HB LEU 11 1HB LEU 11 -8.859 2.588 -2.583
73 2HB LEU 11 2HB LEU 11 -9.058 1.747 -1.027
74 HG LEU 11 HG LEU 11 -6.614 3.245 -2.042
75 1HD1 LEU 11 1HD1 LEU 11 -7.049 4.150 0.444
76 2HD1 LEU 11 2HD1 LEU 11 -7.919 4.819 -0.958
77 3HD1 LEU 11 3HD1 LEU 11 -8.705 3.607 0.082
78 1HD2 LEU 11 1HD2 LEU 11 -5.629 2.504 0.204
79 2HD2 LEU 11 2HD2 LEU 11 -6.931 1.292 0.267
80 3HD2 LEU 11 3HD2 LEU 11 -5.736 1.246 -1.051
81 H TRP 12 H TRP 12 -9.390 -0.164 -0.622
82 HA TRP 12 HA TRP 12 -7.631 -1.183 1.278
83 1HB TRP 12 1HB TRP 12 -9.562 -1.656 2.277
84 2HB TRP 12 2HB TRP 12 -10.396 -1.146 0.802
85 HD1 TRP 12 HD TRP 12 -12.004 -2.848 -0.097
86 HE1 TRP 12 1HE TRP 12 -12.315 -5.375 -0.017
87 HE3 TRP 12 3HE TRP 12 -7.814 -4.093 2.566
88 HZ2 TRP 12 2HZ TRP 12 -10.921 -7.667 1.069
89 HZ3 TRP 12 3HZ TRP 12 -7.340 -6.454 3.103
90 HH2 TRP 12 HH TRP 12 -8.880 -8.249 2.364
91 H LYS 13 H LYS 13 -8.803 -2.648 -1.748
92 HA LYS 13 HA LYS 13 -7.678 -5.251 -1.170
93 1HB LYS 13 1HB LYS 13 -9.496 -4.199 -2.993
94 2HB LYS 13 2HB LYS 13 -8.075 -4.573 -3.999
95 1HG LYS 13 1HG LYS 13 -8.114 -6.819 -2.523
96 2HG LYS 13 2HG LYS 13 -9.843 -6.410 -2.418
97 1HD LYS 13 1HD LYS 13 -10.083 -6.422 -4.808
98 2HD LYS 13 2HD LYS 13 -8.320 -6.480 -5.050
99 1HE LYS 13 1HE LYS 13 -8.540 -8.692 -3.583
100 2HE LYS 13 2HE LYS 13 -10.211 -8.653 -4.186
101 1HZ LYS 13 1HZ LYS 13 -9.134 -9.820 -5.778
102 2HZ LYS 13 2HZ LYS 13 -9.044 -8.303 -6.419
103 3HZ LYS 13 3HZ LYS 13 -7.731 -8.960 -5.667
104 H LEU 14 H LEU 14 -6.565 -2.236 -2.627
105 HA LEU 14 HA LEU 14 -4.349 -3.241 -4.075
106 1HB LEU 14 1HB LEU 14 -5.445 -0.701 -3.292
107 2HB LEU 14 2HB LEU 14 -3.698 -0.699 -2.950
108 HG LEU 14 HG LEU 14 -4.018 0.037 -5.242
109 1HD1 LEU 14 1HD1 LEU 14 -2.540 -2.274 -4.484
110 2HD1 LEU 14 2HD1 LEU 14 -3.249 -2.626 -6.078
111 3HD1 LEU 14 3HD1 LEU 14 -2.227 -1.185 -5.857
112 1HD2 LEU 14 1HD2 LEU 14 -6.223 -0.804 -5.716
113 2HD2 LEU 14 2HD2 LEU 14 -5.120 -1.581 -6.877
114 3HD2 LEU 14 3HD2 LEU 14 -5.703 -2.487 -5.460
115 H LEU 15 H LEU 15 -4.682 -2.154 -0.667
116 HA LEU 15 HA LEU 15 -1.913 -2.604 -0.034
117 1HB LEU 15 1HB LEU 15 -4.426 -1.893 1.389
118 2HB LEU 15 2HB LEU 15 -3.184 -2.710 2.368
119 HG LEU 15 HG LEU 15 -1.943 -0.723 0.659
120 1HD1 LEU 15 1HD1 LEU 15 -3.822 0.527 2.659
121 2HD1 LEU 15 2HD1 LEU 15 -3.041 1.254 1.235
122 3HD1 LEU 15 3HD1 LEU 15 -4.418 0.146 1.025
123 1HD2 LEU 15 1HD2 LEU 15 -1.737 0.131 3.287
124 2HD2 LEU 15 2HD2 LEU 15 -2.033 -1.614 3.472
125 3HD2 LEU 15 3HD2 LEU 15 -0.654 -1.043 2.502
126 H LYS 16 H LYS 16 -4.431 -4.721 -0.777
127 HA LYS 16 HA LYS 16 -3.834 -6.801 1.148
128 1HB LYS 16 1HB LYS 16 -5.903 -6.251 -0.594
129 2HB LYS 16 2HB LYS 16 -5.066 -7.590 -1.415
130 1HG LYS 16 1HG LYS 16 -5.386 -7.927 1.518
131 2HG LYS 16 2HG LYS 16 -6.908 -7.919 0.595
132 1HD LYS 16 1HD LYS 16 -4.740 -9.501 -0.655
133 2HD LYS 16 2HD LYS 16 -5.277 -10.121 0.924
134 1HE LYS 16 1HE LYS 16 -7.020 -11.059 -0.152
135 2HE LYS 16 2HE LYS 16 -7.650 -9.415 -0.389
136 1HZ LYS 16 1HZ LYS 16 -7.512 -10.479 -2.460
137 2HZ LYS 16 2HZ LYS 16 -6.316 -9.344 -2.424
138 3HZ LYS 16 3HZ LYS 16 -5.946 -10.939 -2.224
139 H LYS 17 H LYS 17 -1.773 -5.503 -0.885
140 HA LYS 17 HA LYS 17 -0.230 -7.928 -1.185
141 1HB LYS 17 1HB LYS 17 -1.118 -8.518 -3.186
142 2HB LYS 17 2HB LYS 17 -1.873 -6.924 -3.428
143 1HG LYS 17 1HG LYS 17 1.110 -7.460 -3.737
144 2HG LYS 17 2HG LYS 17 -0.046 -7.459 -5.090
145 1HD LYS 17 1HD LYS 17 -0.603 -5.086 -3.697
146 2HD LYS 17 2HD LYS 17 1.173 -5.200 -3.684
147 1HE LYS 17 1HE LYS 17 -0.405 -5.711 -6.216
148 2HE LYS 17 2HE LYS 17 0.015 -4.056 -5.721
149 1HZ LYS 17 1HZ LYS 17 1.714 -4.774 -7.086
150 2HZ LYS 17 2HZ LYS 17 2.334 -4.920 -5.565
151 3HZ LYS 17 3HZ LYS 17 1.821 -6.260 -6.378
152 H TRP 18 H TRP 18 -0.788 -4.497 -1.982
153 HA TRP 18 HA TRP 18 1.986 -3.955 -2.571
154 1HB TRP 18 1HB TRP 18 -0.311 -2.689 -3.106
155 2HB TRP 18 2HB TRP 18 0.116 -1.830 -1.620
156 HD1 TRP 18 HD TRP 18 0.587 -1.671 -5.221
157 HE1 TRP 18 1HE TRP 18 2.456 -0.076 -5.893
158 HE3 TRP 18 3HE TRP 18 2.819 -1.072 -0.654
159 HZ2 TRP 18 2HZ TRP 18 4.657 1.298 -4.613
160 HZ3 TRP 18 3HZ TRP 18 4.797 0.385 -0.420
161 HH2 TRP 18 HH TRP 18 5.726 1.575 -2.385
162 H LYS 19 H LYS 19 -0.152 -3.552 0.285
163 HA LYS 19 HA LYS 19 1.337 -2.128 2.033
164 1HB LYS 19 1HB LYS 19 -0.799 -3.271 2.567
165 2HB LYS 19 2HB LYS 19 0.066 -4.824 2.653
166 1HG LYS 19 1HG LYS 19 1.425 -2.814 4.258
167 2HG LYS 19 2HG LYS 19 -0.284 -2.942 4.739
168 1HD LYS 19 1HD LYS 19 0.276 -5.569 4.503
169 2HD LYS 19 2HD LYS 19 1.908 -4.977 4.893
170 1HE LYS 19 1HE LYS 19 0.745 -3.652 6.799
171 2HE LYS 19 2HE LYS 19 -0.636 -4.735 6.520
172 1HZ LYS 19 1HZ LYS 19 0.562 -6.527 7.190
173 2HZ LYS 19 2HZ LYS 19 2.030 -5.836 6.899
174 3HZ LYS 19 3HZ LYS 19 1.142 -5.366 8.207
175 H MET 20 H MET 20 2.000 -5.505 1.039
176 HA MET 20 HA MET 20 3.924 -6.365 2.716
177 1HB MET 20 1HB MET 20 3.807 -7.833 0.990
178 2HB MET 20 2HB MET 20 3.490 -6.552 -0.204
179 1HG MET 20 1HG MET 20 6.102 -6.056 0.624
180 2HG MET 20 2HG MET 20 6.019 -7.825 0.570
181 1HE MET 20 1HE MET 20 5.344 -4.518 -1.301
182 2HE MET 20 2HE MET 20 5.139 -5.012 -2.999
183 3HE MET 20 3HE MET 20 3.886 -5.410 -1.798
184 H ARG 21 H ARG 21 4.411 -3.854 0.197
185 HA ARG 21 HA ARG 21 7.130 -3.364 1.255
186 1HB ARG 21 1HB ARG 21 5.616 -2.580 -1.242
187 2HB ARG 21 2HB ARG 21 7.094 -1.713 -0.757
188 1HG ARG 21 1HG ARG 21 8.454 -3.567 -1.083
189 2HG ARG 21 2HG ARG 21 7.135 -4.722 -0.774
190 1HD ARG 21 1HD ARG 21 6.134 -3.557 -2.978
191 2HD ARG 21 2HD ARG 21 7.858 -3.262 -3.291
192 HE ARG 21 HE ARG 21 7.862 -5.899 -2.653
193 1HH1 ARG 21 2HH2 ARG 21 5.849 -3.960 -4.818
194 2HH1 ARG 21 1HH2 ARG 21 5.551 -5.271 -5.937
195 1HH2 ARG 21 2HH1 ARG 21 7.468 -7.631 -4.132
196 2HH2 ARG 21 1HH1 ARG 21 6.475 -7.364 -5.546
197 H ARG 22 H ARG 22 3.997 -1.711 0.659
198 HA ARG 22 HA ARG 22 4.779 0.818 1.685
199 1HB ARG 22 1HB ARG 22 2.750 0.390 0.313
200 2HB ARG 22 2HB ARG 22 2.033 -0.498 1.680
201 1HG ARG 22 1HG ARG 22 2.971 1.990 2.710
202 2HG ARG 22 2HG ARG 22 2.093 2.353 1.205
203 1HD ARG 22 1HD ARG 22 0.600 2.317 3.208
204 2HD ARG 22 2HD ARG 22 0.146 1.107 1.989
205 HE ARG 22 HE ARG 22 1.739 -0.367 3.584
206 1HH1 ARG 22 2HH2 ARG 22 -0.835 1.939 4.331
207 2HH1 ARG 22 1HH2 ARG 22 -1.308 1.139 5.814
208 1HH2 ARG 22 2HH1 ARG 22 1.114 -1.423 5.542
209 2HH2 ARG 22 1HH1 ARG 22 -0.197 -0.778 6.503
210 H ASN 23 H ASN 23 5.318 -1.817 3.296
211 HA ASN 23 HA ASN 23 4.585 -0.598 5.895
212 1HB ASN 23 1HB ASN 23 3.149 -2.710 4.862
213 2HB ASN 23 2HB ASN 23 4.395 -3.543 5.817
214 1HD2 ASN 23 1HD2 ASN 23 3.519 -4.116 7.731
215 2HD2 ASN 23 2HD2 ASN 23 2.568 -3.068 8.762
216 H GLN 24 H GLN 24 7.003 -1.219 3.971
217 HA GLN 24 HA GLN 24 8.932 -1.529 6.038
218 1HB GLN 24 1HB GLN 24 9.720 -3.837 4.895
219 2HB GLN 24 2HB GLN 24 8.637 -3.789 6.307
220 1HG GLN 24 1HG GLN 24 6.811 -4.440 5.095
221 2HG GLN 24 2HG GLN 24 7.313 -3.526 3.656
222 1HE2 GLN 24 1HE2 GLN 24 6.697 -6.572 4.700
223 2HE2 GLN 24 2HE2 GLN 24 7.804 -7.485 3.697
224 H PHE 25 H PHE 25 9.515 -3.341 3.111
225 HA PHE 25 HA PHE 25 11.717 -2.123 2.195
226 1HB PHE 25 1HB PHE 25 10.902 -3.910 0.925
227 2HB PHE 25 2HB PHE 25 9.311 -3.161 0.707
228 HD1 PHE 25 1HD PHE 25 9.474 -0.747 -0.536
229 HD2 PHE 25 2HD PHE 25 12.264 -3.989 -0.936
230 HE1 PHE 25 1HE PHE 25 10.193 0.144 -2.736
231 HE2 PHE 25 2HE PHE 25 12.983 -3.098 -3.136
232 HZ PHE 25 HZ PHE 25 11.948 -1.032 -4.036
233 H TRP 26 H TRP 26 8.409 -0.808 1.865
234 HA TRP 26 HA TRP 26 8.902 1.326 0.146
235 1HB TRP 26 1HB TRP 26 6.899 2.195 0.901
236 2HB TRP 26 2HB TRP 26 6.739 0.484 1.321
237 HD1 TRP 26 HD TRP 26 6.328 -0.111 3.774
238 HE1 TRP 26 1HE TRP 26 6.072 1.180 5.955
239 HE3 TRP 26 3HE TRP 26 7.873 4.497 2.170
240 HZ2 TRP 26 2HZ TRP 26 6.483 3.884 6.899
241 HZ3 TRP 26 3HZ TRP 26 7.926 6.403 3.737
242 HH2 TRP 26 HH TRP 26 7.237 6.115 6.098
243 H VAL 27 H VAL 27 9.427 1.111 3.690
244 HA VAL 27 HA VAL 27 10.063 3.671 4.372
245 HB VAL 27 HB VAL 27 11.496 2.761 6.066
246 1HG1 VAL 27 1HG1 VAL 27 9.727 1.715 6.992
247 2HG1 VAL 27 2HG1 VAL 27 8.972 1.608 5.384
248 3HG1 VAL 27 3HG1 VAL 27 10.014 0.288 5.967
249 1HG2 VAL 27 1HG2 VAL 27 13.070 1.501 4.765
250 2HG2 VAL 27 2HG2 VAL 27 12.266 0.330 5.839
251 3HG2 VAL 27 3HG2 VAL 27 11.792 0.438 4.126
252 H LYS 28 H LYS 28 12.236 1.364 2.667
253 HA LYS 28 HA LYS 28 14.462 3.112 2.495
254 1HB LYS 28 1HB LYS 28 13.507 0.743 0.864
255 2HB LYS 28 2HB LYS 28 15.015 1.607 0.478
256 1HG LYS 28 1HG LYS 28 14.385 0.515 3.247
257 2HG LYS 28 2HG LYS 28 15.281 -0.408 2.017
258 1HD LYS 28 1HD LYS 28 17.175 0.704 2.522
259 2HD LYS 28 2HD LYS 28 16.377 2.259 2.188
260 1HE LYS 28 1HE LYS 28 15.775 2.585 4.409
261 2HE LYS 28 2HE LYS 28 15.770 0.846 4.773
262 1HZ LYS 28 1HZ LYS 28 18.304 1.272 4.159
263 2HZ LYS 28 2HZ LYS 28 17.924 2.723 4.846
264 3HZ LYS 28 3HZ LYS 28 17.703 1.325 5.694
265 H VAL 29 H VAL 29 11.575 2.669 0.443
266 HA VAL 29 HA VAL 29 12.277 4.063 -1.831
267 HB VAL 29 HB VAL 29 9.661 4.159 -0.277
268 1HG1 VAL 29 1HG1 VAL 29 9.800 5.993 -1.909
269 2HG1 VAL 29 2HG1 VAL 29 10.320 4.852 -3.172
270 3HG1 VAL 29 3HG1 VAL 29 8.678 4.740 -2.494
271 1HG2 VAL 29 1HG2 VAL 29 10.592 1.899 -1.002
272 2HG2 VAL 29 2HG2 VAL 29 8.999 2.314 -1.678
273 3HG2 VAL 29 3HG2 VAL 29 10.460 2.473 -2.682
274 H GLN 30 H GLN 30 12.173 5.243 1.405
275 HA GLN 30 HA GLN 30 11.937 8.054 0.514
276 1HB GLN 30 1HB GLN 30 11.267 8.519 2.643
277 2HB GLN 30 2HB GLN 30 10.913 6.775 2.687
278 1HG GLN 30 1HG GLN 30 13.269 6.405 3.527
279 2HG GLN 30 2HG GLN 30 13.439 8.169 3.656
280 1HE2 GLN 30 1HE2 GLN 30 12.259 9.322 5.248
281 2HE2 GLN 30 2HE2 GLN 30 11.484 8.508 6.590
282 H ARG 31 H ARG 31 14.194 5.767 2.096
283 HA ARG 31 HA ARG 31 16.385 6.188 2.825
284 1HB ARG 31 1HB ARG 31 16.626 5.158 0.661
285 2HB ARG 31 2HB ARG 31 16.313 6.701 -0.170
286 1HG ARG 31 1HG ARG 31 18.459 7.091 1.709
287 2HG ARG 31 2HG ARG 31 18.823 5.655 0.723
288 1HD ARG 31 1HD ARG 31 18.664 6.874 -1.309
289 2HD ARG 31 2HD ARG 31 17.837 8.236 -0.524
290 HE ARG 31 HE ARG 31 20.537 7.701 0.475
291 1HH1 ARG 31 2HH2 ARG 31 18.514 9.424 -1.857
292 2HH1 ARG 31 1HH2 ARG 31 19.685 10.692 -2.143
293 1HH2 ARG 31 2HH1 ARG 31 22.084 9.375 0.097
294 2HH2 ARG 31 1HH1 ARG 31 21.721 10.663 -1.029
295 H GLY 32 H GLY 32 16.159 8.023 4.205
296 1HA GLY 32 1HA GLY 32 16.759 10.633 2.896
297 2HA GLY 32 2HA GLY 32 15.955 10.428 4.469
Start of MODEL 8
1 HA PRO 1 HA PRO 1 -12.879 11.395 2.226
2 1HB PRO 1 1HB PRO 1 -15.022 9.723 2.403
3 2HB PRO 1 2HB PRO 1 -14.483 10.718 3.794
4 1HG PRO 1 1HG PRO 1 -16.668 11.379 1.799
5 2HG PRO 1 2HG PRO 1 -16.790 11.388 3.589
6 1HD PRO 1 1HD PRO 1 -16.284 13.670 2.186
7 2HD PRO 1 2HD PRO 1 -15.445 13.353 3.735
8 HA PRO 2 HA PRO 2 -13.214 10.076 -1.962
9 1HB PRO 2 1HB PRO 2 -12.975 7.363 -1.873
10 2HB PRO 2 2HB PRO 2 -11.648 8.447 -1.342
11 1HG PRO 2 1HG PRO 2 -13.752 7.129 0.398
12 2HG PRO 2 2HG PRO 2 -11.973 7.086 0.621
13 1HD PRO 2 1HD PRO 2 -13.529 8.890 1.946
14 2HD PRO 2 2HD PRO 2 -11.936 9.375 1.289
15 H LEU 3 H LEU 3 -15.701 9.716 0.184
16 HA LEU 3 HA LEU 3 -17.971 9.635 -0.348
17 1HB LEU 3 1HB LEU 3 -16.950 9.681 -2.865
18 2HB LEU 3 2HB LEU 3 -17.620 8.031 -2.831
19 HG LEU 3 HG LEU 3 -19.326 9.615 -3.621
20 1HD1 LEU 3 1HD1 LEU 3 -19.874 8.734 -0.755
21 2HD1 LEU 3 2HD1 LEU 3 -21.091 9.072 -2.009
22 3HD1 LEU 3 3HD1 LEU 3 -19.995 7.680 -2.184
23 1HD2 LEU 3 1HD2 LEU 3 -18.548 11.049 -1.072
24 2HD2 LEU 3 2HD2 LEU 3 -18.720 11.704 -2.718
25 3HD2 LEU 3 3HD2 LEU 3 -20.167 11.270 -1.778
26 H SER 4 H SER 4 -15.650 7.177 -0.093
27 HA SER 4 HA SER 4 -15.789 5.143 0.975
28 1HB SER 4 1HB SER 4 -17.636 4.623 2.266
29 2HB SER 4 2HB SER 4 -17.890 6.371 2.048
30 HG SER 4 HG SER 4 -19.382 4.287 1.177
31 H GLN 5 H GLN 5 -15.545 3.226 -0.032
32 HA GLN 5 HA GLN 5 -16.140 1.423 -1.388
33 1HB GLN 5 1HB GLN 5 -18.542 2.569 -1.258
34 2HB GLN 5 2HB GLN 5 -18.145 3.042 -2.928
35 1HG GLN 5 1HG GLN 5 -17.873 0.774 -3.613
36 2HG GLN 5 2HG GLN 5 -17.825 0.192 -1.935
37 1HE2 GLN 5 1HE2 GLN 5 -19.535 -1.312 -2.782
38 2HE2 GLN 5 2HE2 GLN 5 -21.195 -0.758 -2.759
39 H GLU 6 H GLU 6 -15.960 4.743 -2.673
40 HA GLU 6 HA GLU 6 -15.221 4.235 -5.307
41 1HB GLU 6 1HB GLU 6 -14.497 6.375 -3.305
42 2HB GLU 6 2HB GLU 6 -13.767 6.379 -4.928
43 1HG GLU 6 1HG GLU 6 -16.709 5.934 -4.830
44 2HG GLU 6 2HG GLU 6 -16.159 7.551 -4.340
45 H THR 7 H THR 7 -13.099 4.402 -2.399
46 HA THR 7 HA THR 7 -10.860 3.370 -4.024
47 HB THR 7 HB THR 7 -10.387 3.742 -1.158
48 HG1 THR 7 1HG THR 7 -11.197 5.660 -0.934
49 1HG2 THR 7 1HG2 THR 7 -8.685 3.614 -3.006
50 2HG2 THR 7 2HG2 THR 7 -9.300 5.167 -3.623
51 3HG2 THR 7 3HG2 THR 7 -8.541 5.086 -2.015
52 H PHE 8 H PHE 8 -11.214 2.623 -0.606
53 HA PHE 8 HA PHE 8 -10.568 0.378 0.085
54 1HB PHE 8 1HB PHE 8 -13.528 0.140 -0.392
55 2HB PHE 8 2HB PHE 8 -12.574 -0.350 1.019
56 HD1 PHE 8 1HD PHE 8 -13.011 2.884 -0.857
57 HD2 PHE 8 2HD PHE 8 -13.184 0.827 2.910
58 HE1 PHE 8 1HE PHE 8 -13.594 5.011 0.278
59 HE2 PHE 8 2HE PHE 8 -13.767 2.954 4.045
60 HZ PHE 8 HZ PHE 8 -13.972 5.046 2.728
61 H SER 9 H SER 9 -13.179 0.075 -2.395
62 HA SER 9 HA SER 9 -12.985 -2.495 -3.145
63 1HB SER 9 1HB SER 9 -14.329 -0.647 -4.248
64 2HB SER 9 2HB SER 9 -12.873 -0.254 -5.194
65 HG SER 9 HG SER 9 -14.232 -2.747 -5.108
66 H ASP 10 H ASP 10 -10.839 0.006 -4.630
67 HA ASP 10 HA ASP 10 -8.976 -2.158 -5.395
68 1HB ASP 10 1HB ASP 10 -9.211 0.782 -6.119
69 2HB ASP 10 2HB ASP 10 -7.857 -0.246 -6.635
70 H LEU 11 H LEU 11 -9.366 0.538 -3.166
71 HA LEU 11 HA LEU 11 -6.607 0.868 -2.492
72 1HB LEU 11 1HB LEU 11 -8.888 2.226 -1.948
73 2HB LEU 11 2HB LEU 11 -8.695 1.338 -0.418
74 HG LEU 11 HG LEU 11 -6.289 2.138 -0.364
75 1HD1 LEU 11 1HD1 LEU 11 -5.427 3.241 -2.131
76 2HD1 LEU 11 2HD1 LEU 11 -6.949 2.946 -3.005
77 3HD1 LEU 11 3HD1 LEU 11 -6.739 4.443 -2.066
78 1HD2 LEU 11 1HD2 LEU 11 -7.520 4.724 -0.350
79 2HD2 LEU 11 2HD2 LEU 11 -8.735 3.545 0.199
80 3HD2 LEU 11 3HD2 LEU 11 -7.169 3.666 1.037
81 H TRP 12 H TRP 12 -9.224 -0.602 -0.482
82 HA TRP 12 HA TRP 12 -7.588 -1.848 1.378
83 1HB TRP 12 1HB TRP 12 -9.573 -2.513 2.129
84 2HB TRP 12 2HB TRP 12 -10.305 -1.836 0.667
85 HD1 TRP 12 HD TRP 12 -11.766 -3.457 -0.568
86 HE1 TRP 12 1HE TRP 12 -11.957 -5.980 -0.860
87 HE3 TRP 12 3HE TRP 12 -7.720 -4.901 2.214
88 HZ2 TRP 12 2HZ TRP 12 -10.533 -8.347 0.004
89 HZ3 TRP 12 3HZ TRP 12 -7.170 -7.294 2.456
90 HH2 TRP 12 HH TRP 12 -8.562 -9.025 1.360
91 H LYS 13 H LYS 13 -8.503 -2.941 -1.894
92 HA LYS 13 HA LYS 13 -7.299 -5.547 -1.604
93 1HB LYS 13 1HB LYS 13 -9.116 -4.644 -3.282
94 2HB LYS 13 2HB LYS 13 -7.701 -4.161 -4.250
95 1HG LYS 13 1HG LYS 13 -7.592 -6.910 -3.117
96 2HG LYS 13 2HG LYS 13 -8.842 -6.645 -4.355
97 1HD LYS 13 1HD LYS 13 -6.211 -5.442 -4.995
98 2HD LYS 13 2HD LYS 13 -6.203 -7.219 -4.896
99 1HE LYS 13 1HE LYS 13 -8.443 -6.959 -6.317
100 2HE LYS 13 2HE LYS 13 -7.702 -5.409 -6.771
101 1HZ LYS 13 1HZ LYS 13 -7.076 -7.089 -8.295
102 2HZ LYS 13 2HZ LYS 13 -5.743 -6.655 -7.426
103 3HZ LYS 13 3HZ LYS 13 -6.517 -8.074 -7.096
104 H LEU 14 H LEU 14 -6.217 -2.332 -2.639
105 HA LEU 14 HA LEU 14 -3.811 -3.129 -3.922
106 1HB LEU 14 1HB LEU 14 -5.082 -0.675 -2.961
107 2HB LEU 14 2HB LEU 14 -3.316 -0.648 -2.736
108 HG LEU 14 HG LEU 14 -4.482 0.053 -5.065
109 1HD1 LEU 14 1HD1 LEU 14 -2.219 -1.236 -6.000
110 2HD1 LEU 14 2HD1 LEU 14 -2.236 0.366 -5.225
111 3HD1 LEU 14 3HD1 LEU 14 -1.876 -1.085 -4.260
112 1HD2 LEU 14 1HD2 LEU 14 -5.122 -2.654 -4.916
113 2HD2 LEU 14 2HD2 LEU 14 -5.112 -1.668 -6.398
114 3HD2 LEU 14 3HD2 LEU 14 -3.681 -2.633 -5.961
115 H LEU 15 H LEU 15 -4.539 -2.215 -0.520
116 HA LEU 15 HA LEU 15 -1.847 -2.519 0.397
117 1HB LEU 15 1HB LEU 15 -4.570 -2.456 1.718
118 2HB LEU 15 2HB LEU 15 -3.088 -2.746 2.660
119 HG LEU 15 HG LEU 15 -2.980 -0.472 0.737
120 1HD1 LEU 15 1HD1 LEU 15 -5.114 -0.746 2.731
121 2HD1 LEU 15 2HD1 LEU 15 -4.094 0.681 3.031
122 3HD1 LEU 15 3HD1 LEU 15 -4.902 0.480 1.458
123 1HD2 LEU 15 1HD2 LEU 15 -2.248 0.268 3.360
124 2HD2 LEU 15 2HD2 LEU 15 -1.724 -1.424 3.188
125 3HD2 LEU 15 3HD2 LEU 15 -1.154 -0.194 2.035
126 H LYS 16 H LYS 16 -4.144 -4.782 -0.694
127 HA LYS 16 HA LYS 16 -3.423 -6.948 1.099
128 1HB LYS 16 1HB LYS 16 -5.515 -6.440 -0.615
129 2HB LYS 16 2HB LYS 16 -4.557 -7.616 -1.548
130 1HG LYS 16 1HG LYS 16 -4.445 -8.838 0.839
131 2HG LYS 16 2HG LYS 16 -5.965 -7.945 1.083
132 1HD LYS 16 1HD LYS 16 -6.989 -8.973 -0.818
133 2HD LYS 16 2HD LYS 16 -5.432 -9.602 -1.408
134 1HE LYS 16 1HE LYS 16 -5.300 -10.932 0.774
135 2HE LYS 16 2HE LYS 16 -6.997 -10.480 1.043
136 1HZ LYS 16 1HZ LYS 16 -5.866 -12.321 -0.843
137 2HZ LYS 16 2HZ LYS 16 -7.333 -12.339 -0.091
138 3HZ LYS 16 3HZ LYS 16 -7.098 -11.387 -1.417
139 H LYS 17 H LYS 17 -1.417 -5.347 -0.725
140 HA LYS 17 HA LYS 17 0.355 -7.555 -1.152
141 1HB LYS 17 1HB LYS 17 -0.346 -8.219 -3.186
142 2HB LYS 17 2HB LYS 17 -1.462 -6.839 -3.328
143 1HG LYS 17 1HG LYS 17 1.546 -6.688 -3.793
144 2HG LYS 17 2HG LYS 17 0.330 -6.834 -5.084
145 1HD LYS 17 1HD LYS 17 -0.574 -4.724 -3.437
146 2HD LYS 17 2HD LYS 17 1.178 -4.469 -3.613
147 1HE LYS 17 1HE LYS 17 0.763 -3.606 -5.651
148 2HE LYS 17 2HE LYS 17 0.297 -5.240 -6.171
149 1HZ LYS 17 1HZ LYS 17 -1.638 -3.563 -4.800
150 2HZ LYS 17 2HZ LYS 17 -1.333 -3.302 -6.399
151 3HZ LYS 17 3HZ LYS 17 -1.885 -4.772 -5.894
152 H TRP 18 H TRP 18 -0.619 -4.200 -1.790
153 HA TRP 18 HA TRP 18 2.084 -3.334 -2.407
154 1HB TRP 18 1HB TRP 18 -0.381 -2.353 -2.926
155 2HB TRP 18 2HB TRP 18 0.015 -1.408 -1.483
156 HD1 TRP 18 HD TRP 18 0.750 -1.712 -5.149
157 HE1 TRP 18 1HE TRP 18 2.291 0.162 -5.925
158 HE3 TRP 18 3HE TRP 18 2.093 0.172 -0.583
159 HZ2 TRP 18 2HZ TRP 18 3.915 2.232 -4.719
160 HZ3 TRP 18 3HZ TRP 18 3.636 2.091 -0.437
161 HH2 TRP 18 HH TRP 18 4.554 3.130 -2.490
162 H LYS 19 H LYS 19 -0.025 -3.519 0.446
163 HA LYS 19 HA LYS 19 1.419 -1.823 2.170
164 1HB LYS 19 1HB LYS 19 0.060 -2.681 3.814
165 2HB LYS 19 2HB LYS 19 -0.848 -3.242 2.390
166 1HG LYS 19 1HG LYS 19 0.467 -5.394 2.488
167 2HG LYS 19 2HG LYS 19 1.179 -4.830 4.019
168 1HD LYS 19 1HD LYS 19 -0.771 -5.133 5.194
169 2HD LYS 19 2HD LYS 19 -1.797 -4.690 3.809
170 1HE LYS 19 1HE LYS 19 -2.021 -6.843 3.168
171 2HE LYS 19 2HE LYS 19 -0.275 -7.140 3.307
172 1HZ LYS 19 1HZ LYS 19 -2.368 -7.680 5.164
173 2HZ LYS 19 2HZ LYS 19 -0.887 -8.387 4.999
174 3HZ LYS 19 3HZ LYS 19 -1.039 -6.979 5.843
175 H MET 20 H MET 20 1.872 -5.280 1.341
176 HA MET 20 HA MET 20 3.661 -6.202 3.128
177 1HB MET 20 1HB MET 20 3.530 -7.734 1.465
178 2HB MET 20 2HB MET 20 3.313 -6.490 0.211
179 1HG MET 20 1HG MET 20 5.932 -6.116 1.110
180 2HG MET 20 2HG MET 20 5.740 -7.877 1.081
181 1HE MET 20 1HE MET 20 4.077 -5.139 -0.776
182 2HE MET 20 2HE MET 20 5.572 -4.577 -1.561
183 3HE MET 20 3HE MET 20 4.348 -5.459 -2.506
184 H ARG 21 H ARG 21 4.502 -3.939 0.458
185 HA ARG 21 HA ARG 21 7.178 -3.568 1.639
186 1HB ARG 21 1HB ARG 21 5.825 -2.778 -0.948
187 2HB ARG 21 2HB ARG 21 7.350 -2.013 -0.439
188 1HG ARG 21 1HG ARG 21 8.532 -4.064 -0.488
189 2HG ARG 21 2HG ARG 21 7.036 -5.028 -0.465
190 1HD ARG 21 1HD ARG 21 6.610 -3.617 -2.730
191 2HD ARG 21 2HD ARG 21 8.386 -3.635 -2.740
192 HE ARG 21 HE ARG 21 7.780 -6.249 -2.253
193 1HH1 ARG 21 2HH2 ARG 21 6.674 -3.896 -4.649
194 2HH1 ARG 21 1HH2 ARG 21 6.380 -5.094 -5.890
195 1HH2 ARG 21 2HH1 ARG 21 7.391 -7.831 -3.892
196 2HH2 ARG 21 1HH1 ARG 21 6.788 -7.337 -5.458
197 H ARG 22 H ARG 22 4.122 -1.823 1.037
198 HA ARG 22 HA ARG 22 5.034 0.746 1.851
199 1HB ARG 22 1HB ARG 22 2.940 1.285 1.243
200 2HB ARG 22 2HB ARG 22 2.644 -0.442 0.929
201 1HG ARG 22 1HG ARG 22 1.003 -0.115 2.508
202 2HG ARG 22 2HG ARG 22 2.357 -0.439 3.617
203 1HD ARG 22 1HD ARG 22 0.868 2.058 3.135
204 2HD ARG 22 2HD ARG 22 1.845 1.569 4.536
205 HE ARG 22 HE ARG 22 3.791 2.093 2.771
206 1HH1 ARG 22 2HH2 ARG 22 0.814 3.852 3.507
207 2HH1 ARG 22 1HH2 ARG 22 1.480 5.420 3.108
208 1HH2 ARG 22 2HH1 ARG 22 4.670 4.164 2.244
209 2HH2 ARG 22 1HH1 ARG 22 3.678 5.597 2.388
210 H ASN 23 H ASN 23 5.426 -1.884 3.602
211 HA ASN 23 HA ASN 23 4.891 -0.452 6.148
212 1HB ASN 23 1HB ASN 23 3.310 -2.524 5.317
213 2HB ASN 23 2HB ASN 23 4.576 -3.398 6.205
214 1HD2 ASN 23 1HD2 ASN 23 1.621 -1.821 6.495
215 2HD2 ASN 23 2HD2 ASN 23 1.647 -1.490 8.213
216 H GLN 24 H GLN 24 7.213 -1.266 4.187
217 HA GLN 24 HA GLN 24 9.176 -1.608 6.244
218 1HB GLN 24 1HB GLN 24 9.901 -3.906 5.069
219 2HB GLN 24 2HB GLN 24 8.800 -3.867 6.467
220 1HG GLN 24 1HG GLN 24 6.982 -4.460 5.217
221 2HG GLN 24 2HG GLN 24 7.510 -3.508 3.813
222 1HE2 GLN 24 1HE2 GLN 24 6.670 -6.503 4.486
223 2HE2 GLN 24 2HE2 GLN 24 7.836 -7.428 3.565
224 H PHE 25 H PHE 25 9.707 -3.382 3.295
225 HA PHE 25 HA PHE 25 11.913 -2.146 2.382
226 1HB PHE 25 1HB PHE 25 11.098 -3.967 1.143
227 2HB PHE 25 2HB PHE 25 9.520 -3.206 0.883
228 HD1 PHE 25 1HD PHE 25 9.706 -0.832 -0.408
229 HD2 PHE 25 2HD PHE 25 12.521 -4.067 -0.672
230 HE1 PHE 25 1HE PHE 25 10.478 0.019 -2.605
231 HE2 PHE 25 2HE PHE 25 13.293 -3.215 -2.870
232 HZ PHE 25 HZ PHE 25 12.272 -1.172 -3.836
233 H TRP 26 H TRP 26 8.570 -0.934 1.873
234 HA TRP 26 HA TRP 26 8.976 1.181 0.185
235 1HB TRP 26 1HB TRP 26 7.022 2.084 1.033
236 2HB TRP 26 2HB TRP 26 6.884 0.384 1.501
237 HD1 TRP 26 HD TRP 26 6.634 -0.158 3.992
238 HE1 TRP 26 1HE TRP 26 6.497 1.186 6.151
239 HE3 TRP 26 3HE TRP 26 8.040 4.420 2.184
240 HZ2 TRP 26 2HZ TRP 26 6.940 3.916 7.002
241 HZ3 TRP 26 3HZ TRP 26 8.170 6.365 3.697
242 HH2 TRP 26 HH TRP 26 7.624 6.131 6.102
243 H VAL 27 H VAL 27 9.724 1.073 3.692
244 HA VAL 27 HA VAL 27 10.388 3.652 4.261
245 HB VAL 27 HB VAL 27 11.993 2.782 5.851
246 1HG1 VAL 27 1HG1 VAL 27 10.205 1.963 6.952
247 2HG1 VAL 27 2HG1 VAL 27 9.373 1.636 5.413
248 3HG1 VAL 27 3HG1 VAL 27 10.447 0.407 6.122
249 1HG2 VAL 27 1HG2 VAL 27 12.038 0.434 3.937
250 2HG2 VAL 27 2HG2 VAL 27 13.405 1.373 4.582
251 3HG2 VAL 27 3HG2 VAL 27 12.526 0.241 5.638
252 H LYS 28 H LYS 28 12.409 1.320 2.423
253 HA LYS 28 HA LYS 28 14.623 3.078 2.075
254 1HB LYS 28 1HB LYS 28 13.597 0.605 0.677
255 2HB LYS 28 2HB LYS 28 14.995 1.497 0.031
256 1HG LYS 28 1HG LYS 28 14.850 0.695 2.952
257 2HG LYS 28 2HG LYS 28 15.459 -0.429 1.714
258 1HD LYS 28 1HD LYS 28 17.294 0.940 1.189
259 2HD LYS 28 2HD LYS 28 16.521 2.398 1.855
260 1HE LYS 28 1HE LYS 28 17.203 1.942 3.979
261 2HE LYS 28 2HE LYS 28 16.903 0.200 3.805
262 1HZ LYS 28 1HZ LYS 28 19.217 1.664 2.749
263 2HZ LYS 28 2HZ LYS 28 19.216 0.658 4.056
264 3HZ LYS 28 3HZ LYS 28 18.934 0.052 2.548
265 H VAL 29 H VAL 29 11.607 2.540 0.250
266 HA VAL 29 HA VAL 29 12.126 3.836 -2.125
267 HB VAL 29 HB VAL 29 9.646 3.986 -0.368
268 1HG1 VAL 29 1HG1 VAL 29 10.339 5.230 -2.943
269 2HG1 VAL 29 2HG1 VAL 29 8.892 4.199 -3.043
270 3HG1 VAL 29 3HG1 VAL 29 8.953 5.536 -1.869
271 1HG2 VAL 29 1HG2 VAL 29 8.874 2.113 -1.657
272 2HG2 VAL 29 2HG2 VAL 29 10.218 2.269 -2.813
273 3HG2 VAL 29 3HG2 VAL 29 10.534 1.717 -1.151
274 H GLN 30 H GLN 30 12.260 5.160 1.059
275 HA GLN 30 HA GLN 30 11.983 7.929 0.054
276 1HB GLN 30 1HB GLN 30 11.451 8.500 2.197
277 2HB GLN 30 2HB GLN 30 11.085 6.764 2.343
278 1HG GLN 30 1HG GLN 30 13.489 6.407 3.050
279 2HG GLN 30 2HG GLN 30 13.675 8.174 3.094
280 1HE2 GLN 30 1HE2 GLN 30 13.291 9.157 4.998
281 2HE2 GLN 30 2HE2 GLN 30 12.329 8.500 6.305
282 H ARG 31 H ARG 31 14.318 5.692 1.592
283 HA ARG 31 HA ARG 31 16.552 6.128 2.168
284 1HB ARG 31 1HB ARG 31 16.638 4.992 0.040
285 2HB ARG 31 2HB ARG 31 16.308 6.505 -0.839
286 1HG ARG 31 1HG ARG 31 18.702 6.029 -0.944
287 2HG ARG 31 2HG ARG 31 18.438 7.452 0.092
288 1HD ARG 31 1HD ARG 31 18.338 5.706 2.039
289 2HD ARG 31 2HD ARG 31 19.145 4.621 0.886
290 HE ARG 31 HE ARG 31 20.480 7.168 1.014
291 1HH1 ARG 31 2HH2 ARG 31 19.998 4.119 2.739
292 2HH1 ARG 31 1HH2 ARG 31 21.540 4.184 3.563
293 1HH2 ARG 31 2HH1 ARG 31 22.516 7.253 2.102
294 2HH2 ARG 31 1HH1 ARG 31 22.976 5.971 3.200
295 H GLY 32 H GLY 32 16.466 8.020 3.468
296 1HA GLY 32 1HA GLY 32 17.838 10.287 2.290
297 2HA GLY 32 2HA GLY 32 16.149 10.644 2.717
Start of MODEL 9
1 HA PRO 1 HA PRO 1 -17.988 0.038 1.030
2 1HB PRO 1 1HB PRO 1 -20.300 0.052 2.472
3 2HB PRO 1 2HB PRO 1 -19.890 -1.290 1.355
4 1HG PRO 1 1HG PRO 1 -19.419 -1.181 4.348
5 2HG PRO 1 2HG PRO 1 -20.246 -2.477 3.423
6 1HD PRO 1 1HD PRO 1 -17.608 -2.664 4.084
7 2HD PRO 1 2HD PRO 1 -18.183 -3.211 2.479
8 HA PRO 2 HA PRO 2 -16.442 2.667 4.542
9 1HB PRO 2 1HB PRO 2 -14.679 4.158 3.095
10 2HB PRO 2 2HB PRO 2 -14.278 2.502 3.658
11 1HG PRO 2 1HG PRO 2 -15.359 3.308 0.943
12 2HG PRO 2 2HG PRO 2 -13.912 2.304 1.284
13 1HD PRO 2 1HD PRO 2 -16.329 1.173 0.731
14 2HD PRO 2 2HD PRO 2 -15.268 0.474 1.992
15 H LEU 3 H LEU 3 -15.970 5.336 3.927
16 HA LEU 3 HA LEU 3 -18.675 6.220 3.285
17 1HB LEU 3 1HB LEU 3 -16.359 7.215 4.711
18 2HB LEU 3 2HB LEU 3 -16.926 8.432 3.542
19 HG LEU 3 HG LEU 3 -19.316 7.727 4.491
20 1HD1 LEU 3 1HD1 LEU 3 -18.861 7.456 7.081
21 2HD1 LEU 3 2HD1 LEU 3 -18.832 6.027 6.021
22 3HD1 LEU 3 3HD1 LEU 3 -17.306 6.784 6.536
23 1HD2 LEU 3 1HD2 LEU 3 -17.381 9.785 5.047
24 2HD2 LEU 3 2HD2 LEU 3 -19.156 9.884 5.121
25 3HD2 LEU 3 3HD2 LEU 3 -18.232 9.384 6.558
26 H SER 4 H SER 4 -16.201 5.224 1.383
27 HA SER 4 HA SER 4 -16.983 7.120 -0.771
28 1HB SER 4 1HB SER 4 -14.169 6.039 -0.428
29 2HB SER 4 2HB SER 4 -14.729 7.348 -1.497
30 HG SER 4 HG SER 4 -15.468 8.198 0.756
31 H GLN 5 H GLN 5 -14.968 5.659 -2.498
32 HA GLN 5 HA GLN 5 -15.402 2.921 -2.643
33 1HB GLN 5 1HB GLN 5 -17.224 2.886 -4.444
34 2HB GLN 5 2HB GLN 5 -17.766 3.199 -2.778
35 1HG GLN 5 1HG GLN 5 -17.629 5.668 -3.279
36 2HG GLN 5 2HG GLN 5 -17.293 5.252 -4.974
37 1HE2 GLN 5 1HE2 GLN 5 -18.961 4.677 -6.331
38 2HE2 GLN 5 2HE2 GLN 5 -20.635 4.578 -5.830
39 H GLU 6 H GLU 6 -15.543 5.915 -4.630
40 HA GLU 6 HA GLU 6 -14.643 5.227 -7.048
41 1HB GLU 6 1HB GLU 6 -12.894 7.239 -6.636
42 2HB GLU 6 2HB GLU 6 -14.644 7.505 -6.816
43 1HG GLU 6 1HG GLU 6 -14.934 7.996 -4.600
44 2HG GLU 6 2HG GLU 6 -13.708 6.823 -4.073
45 H THR 7 H THR 7 -12.153 5.945 -4.538
46 HA THR 7 HA THR 7 -10.287 4.180 -5.967
47 HB THR 7 HB THR 7 -9.186 5.202 -3.538
48 HG1 THR 7 1HG THR 7 -10.528 7.158 -5.096
49 1HG2 THR 7 1HG2 THR 7 -8.633 6.714 -6.001
50 2HG2 THR 7 2HG2 THR 7 -7.537 5.732 -5.000
51 3HG2 THR 7 3HG2 THR 7 -8.550 4.952 -6.239
52 H PHE 8 H PHE 8 -10.142 4.518 -2.476
53 HA PHE 8 HA PHE 8 -9.561 2.511 -1.222
54 1HB PHE 8 1HB PHE 8 -12.571 2.542 -1.194
55 2HB PHE 8 2HB PHE 8 -11.441 2.330 0.154
56 HD1 PHE 8 1HD PHE 8 -11.819 4.958 -2.512
57 HD2 PHE 8 2HD PHE 8 -11.671 4.049 1.683
58 HE1 PHE 8 1HE PHE 8 -11.996 7.374 -1.982
59 HE2 PHE 8 2HE PHE 8 -11.848 6.465 2.213
60 HZ PHE 8 HZ PHE 8 -12.011 8.128 0.380
61 H SER 9 H SER 9 -12.515 1.870 -3.206
62 HA SER 9 HA SER 9 -12.749 -0.797 -3.128
63 1HB SER 9 1HB SER 9 -13.988 0.769 -4.650
64 2HB SER 9 2HB SER 9 -12.591 0.732 -5.753
65 HG SER 9 HG SER 9 -14.384 -0.834 -6.102
66 H ASP 10 H ASP 10 -10.419 0.794 -5.386
67 HA ASP 10 HA ASP 10 -9.008 -1.788 -5.647
68 1HB ASP 10 1HB ASP 10 -9.232 0.744 -7.198
69 2HB ASP 10 2HB ASP 10 -7.649 -0.064 -7.239
70 H LEU 11 H LEU 11 -8.742 1.395 -4.170
71 HA LEU 11 HA LEU 11 -5.910 1.346 -3.729
72 1HB LEU 11 1HB LEU 11 -8.260 2.851 -2.573
73 2HB LEU 11 2HB LEU 11 -6.642 3.009 -1.850
74 HG LEU 11 HG LEU 11 -7.226 4.717 -3.668
75 1HD1 LEU 11 1HD1 LEU 11 -4.994 4.821 -4.347
76 2HD1 LEU 11 2HD1 LEU 11 -4.868 3.790 -2.902
77 3HD1 LEU 11 3HD1 LEU 11 -4.858 3.055 -4.523
78 1HD2 LEU 11 1HD2 LEU 11 -6.969 2.189 -5.348
79 2HD2 LEU 11 2HD2 LEU 11 -8.388 3.256 -5.223
80 3HD2 LEU 11 3HD2 LEU 11 -6.903 3.839 -6.013
81 H TRP 12 H TRP 12 -8.532 1.059 -1.264
82 HA TRP 12 HA TRP 12 -6.997 0.021 0.787
83 1HB TRP 12 1HB TRP 12 -8.990 0.007 1.773
84 2HB TRP 12 2HB TRP 12 -9.721 0.402 0.211
85 HD1 TRP 12 HD TRP 12 -11.576 -1.152 -0.445
86 HE1 TRP 12 1HE TRP 12 -12.256 -3.567 -0.012
87 HE3 TRP 12 3HE TRP 12 -7.602 -2.604 2.435
88 HZ2 TRP 12 2HZ TRP 12 -11.210 -5.860 1.411
89 HZ3 TRP 12 3HZ TRP 12 -7.479 -4.908 3.310
90 HH2 TRP 12 HH TRP 12 -9.270 -6.544 2.809
91 H LYS 13 H LYS 13 -8.444 -1.697 -1.991
92 HA LYS 13 HA LYS 13 -7.730 -4.320 -1.049
93 1HB LYS 13 1HB LYS 13 -9.500 -3.623 -2.802
94 2HB LYS 13 2HB LYS 13 -8.136 -3.523 -3.942
95 1HG LYS 13 1HG LYS 13 -7.608 -5.833 -3.671
96 2HG LYS 13 2HG LYS 13 -8.625 -5.976 -2.218
97 1HD LYS 13 1HD LYS 13 -10.622 -5.929 -3.454
98 2HD LYS 13 2HD LYS 13 -9.850 -5.148 -4.855
99 1HE LYS 13 1HE LYS 13 -8.861 -7.136 -5.588
100 2HE LYS 13 2HE LYS 13 -8.934 -7.885 -3.978
101 1HZ LYS 13 1HZ LYS 13 -11.019 -8.534 -4.309
102 2HZ LYS 13 2HZ LYS 13 -11.449 -7.212 -5.197
103 3HZ LYS 13 3HZ LYS 13 -10.609 -8.443 -5.904
104 H LEU 14 H LEU 14 -6.168 -1.837 -3.072
105 HA LEU 14 HA LEU 14 -4.068 -3.438 -4.094
106 1HB LEU 14 1HB LEU 14 -4.722 -0.577 -3.816
107 2HB LEU 14 2HB LEU 14 -2.975 -0.917 -3.786
108 HG LEU 14 HG LEU 14 -4.436 -0.654 -6.083
109 1HD1 LEU 14 1HD1 LEU 14 -2.315 -0.861 -6.815
110 2HD1 LEU 14 2HD1 LEU 14 -1.844 -1.604 -5.268
111 3HD1 LEU 14 3HD1 LEU 14 -2.425 -2.625 -6.605
112 1HD2 LEU 14 1HD2 LEU 14 -5.406 -3.025 -5.086
113 2HD2 LEU 14 2HD2 LEU 14 -5.365 -2.604 -6.815
114 3HD2 LEU 14 3HD2 LEU 14 -4.068 -3.598 -6.110
115 H LEU 15 H LEU 15 -4.375 -1.536 -1.067
116 HA LEU 15 HA LEU 15 -1.694 -2.090 -0.187
117 1HB LEU 15 1HB LEU 15 -3.926 -0.522 0.641
118 2HB LEU 15 2HB LEU 15 -3.495 -1.585 2.002
119 HG LEU 15 HG LEU 15 -1.011 -0.823 1.200
120 1HD1 LEU 15 1HD1 LEU 15 -2.850 0.960 -0.135
121 2HD1 LEU 15 2HD1 LEU 15 -1.927 1.875 1.081
122 3HD1 LEU 15 3HD1 LEU 15 -1.071 0.957 -0.180
123 1HD2 LEU 15 1HD2 LEU 15 -2.953 -0.021 3.253
124 2HD2 LEU 15 2HD2 LEU 15 -1.211 -0.351 3.406
125 3HD2 LEU 15 3HD2 LEU 15 -1.771 1.260 2.897
126 H LYS 16 H LYS 16 -4.406 -4.065 -0.562
127 HA LYS 16 HA LYS 16 -4.095 -5.686 1.816
128 1HB LYS 16 1HB LYS 16 -6.047 -5.356 -0.091
129 2HB LYS 16 2HB LYS 16 -5.324 -6.907 -0.582
130 1HG LYS 16 1HG LYS 16 -5.507 -7.623 1.864
131 2HG LYS 16 2HG LYS 16 -6.501 -6.169 2.125
132 1HD LYS 16 1HD LYS 16 -8.309 -7.174 1.224
133 2HD LYS 16 2HD LYS 16 -7.396 -7.605 -0.241
134 1HE LYS 16 1HE LYS 16 -6.650 -9.650 0.683
135 2HE LYS 16 2HE LYS 16 -7.037 -9.144 2.342
136 1HZ LYS 16 1HZ LYS 16 -8.836 -10.023 0.229
137 2HZ LYS 16 2HZ LYS 16 -8.734 -10.533 1.794
138 3HZ LYS 16 3HZ LYS 16 -9.398 -9.064 1.447
139 H LYS 17 H LYS 17 -1.846 -5.107 -0.348
140 HA LYS 17 HA LYS 17 -0.552 -7.664 0.011
141 1HB LYS 17 1HB LYS 17 -1.465 -8.636 -1.825
142 2HB LYS 17 2HB LYS 17 -2.019 -7.082 -2.494
143 1HG LYS 17 1HG LYS 17 0.888 -7.989 -2.488
144 2HG LYS 17 2HG LYS 17 -0.219 -8.215 -3.863
145 1HD LYS 17 1HD LYS 17 -0.543 -5.522 -3.146
146 2HD LYS 17 2HD LYS 17 1.207 -5.809 -2.996
147 1HE LYS 17 1HE LYS 17 0.686 -5.122 -5.284
148 2HE LYS 17 2HE LYS 17 1.205 -6.822 -5.275
149 1HZ LYS 17 1HZ LYS 17 -0.687 -7.338 -6.194
150 2HZ LYS 17 2HZ LYS 17 -1.535 -6.729 -4.917
151 3HZ LYS 17 3HZ LYS 17 -1.170 -5.761 -6.202
152 H TRP 18 H TRP 18 -0.741 -4.504 -1.636
153 HA TRP 18 HA TRP 18 2.089 -4.378 -2.192
154 1HB TRP 18 1HB TRP 18 -0.064 -3.079 -3.130
155 2HB TRP 18 2HB TRP 18 0.432 -1.916 -1.892
156 HD1 TRP 18 HD TRP 18 0.956 -2.711 -5.396
157 HE1 TRP 18 1HE TRP 18 2.997 -1.541 -6.372
158 HE3 TRP 18 3HE TRP 18 3.202 -1.236 -1.039
159 HZ2 TRP 18 2HZ TRP 18 5.328 -0.134 -5.391
160 HZ3 TRP 18 3HZ TRP 18 5.328 0.015 -1.100
161 HH2 TRP 18 HH TRP 18 6.402 0.572 -3.262
162 H LYS 19 H LYS 19 -0.076 -3.107 0.371
163 HA LYS 19 HA LYS 19 1.473 -1.417 1.793
164 1HB LYS 19 1HB LYS 19 -0.753 -2.243 2.500
165 2HB LYS 19 2HB LYS 19 -0.018 -3.792 2.978
166 1HG LYS 19 1HG LYS 19 1.295 -2.746 4.691
167 2HG LYS 19 2HG LYS 19 0.920 -1.117 4.079
168 1HD LYS 19 1HD LYS 19 -0.604 -1.250 5.825
169 2HD LYS 19 2HD LYS 19 -1.590 -1.920 4.503
170 1HE LYS 19 1HE LYS 19 -0.171 -4.129 5.434
171 2HE LYS 19 2HE LYS 19 -0.544 -3.228 6.919
172 1HZ LYS 19 1HZ LYS 19 -2.222 -4.880 6.029
173 2HZ LYS 19 2HZ LYS 19 -2.770 -3.408 6.532
174 3HZ LYS 19 3HZ LYS 19 -2.606 -3.720 4.921
175 H MET 20 H MET 20 1.888 -4.978 1.700
176 HA MET 20 HA MET 20 3.703 -5.534 3.599
177 1HB MET 20 1HB MET 20 3.508 -7.358 2.259
178 2HB MET 20 2HB MET 20 3.353 -6.378 0.782
179 1HG MET 20 1HG MET 20 5.974 -5.929 1.693
180 2HG MET 20 2HG MET 20 5.706 -7.664 1.924
181 1HE MET 20 1HE MET 20 5.570 -4.940 -1.506
182 2HE MET 20 2HE MET 20 4.139 -5.944 -1.842
183 3HE MET 20 3HE MET 20 4.296 -5.113 -0.275
184 H ARG 21 H ARG 21 4.379 -3.622 0.653
185 HA ARG 21 HA ARG 21 7.109 -3.085 1.694
186 1HB ARG 21 1HB ARG 21 5.803 -3.057 -1.012
187 2HB ARG 21 2HB ARG 21 7.185 -1.975 -0.717
188 1HG ARG 21 1HG ARG 21 8.351 -4.081 0.272
189 2HG ARG 21 2HG ARG 21 7.078 -5.000 -0.567
190 1HD ARG 21 1HD ARG 21 8.856 -2.935 -1.922
191 2HD ARG 21 2HD ARG 21 9.202 -4.678 -1.908
192 HE ARG 21 HE ARG 21 6.546 -4.295 -2.836
193 1HH1 ARG 21 2HH2 ARG 21 9.897 -3.684 -3.785
194 2HH1 ARG 21 1HH2 ARG 21 9.570 -3.772 -5.502
195 1HH2 ARG 21 2HH1 ARG 21 6.115 -4.411 -5.103
196 2HH2 ARG 21 1HH1 ARG 21 7.414 -4.187 -6.253
197 H ARG 22 H ARG 22 4.096 -1.524 0.540
198 HA ARG 22 HA ARG 22 5.043 1.155 0.970
199 1HB ARG 22 1HB ARG 22 3.150 0.458 -0.545
200 2HB ARG 22 2HB ARG 22 2.178 0.139 0.911
201 1HG ARG 22 1HG ARG 22 1.578 2.325 0.770
202 2HG ARG 22 2HG ARG 22 3.202 2.665 1.415
203 1HD ARG 22 1HD ARG 22 2.299 2.634 -1.484
204 2HD ARG 22 2HD ARG 22 2.997 3.986 -0.567
205 HE ARG 22 HE ARG 22 4.782 1.707 -0.715
206 1HH1 ARG 22 2HH2 ARG 22 3.568 4.557 -2.419
207 2HH1 ARG 22 1HH2 ARG 22 5.000 4.747 -3.405
208 1HH2 ARG 22 2HH1 ARG 22 6.674 1.958 -2.019
209 2HH2 ARG 22 1HH1 ARG 22 6.771 3.265 -3.177
210 H ASN 23 H ASN 23 5.170 -0.995 3.207
211 HA ASN 23 HA ASN 23 4.195 0.837 5.314
212 1HB ASN 23 1HB ASN 23 2.737 -1.400 4.589
213 2HB ASN 23 2HB ASN 23 3.744 -2.008 5.921
214 1HD2 ASN 23 1HD2 ASN 23 1.631 0.769 5.015
215 2HD2 ASN 23 2HD2 ASN 23 0.982 1.022 6.621
216 H GLN 24 H GLN 24 6.768 -0.409 3.958
217 HA GLN 24 HA GLN 24 8.343 -0.367 6.355
218 1HB GLN 24 1HB GLN 24 7.591 -3.029 5.139
219 2HB GLN 24 2HB GLN 24 9.164 -2.810 5.943
220 1HG GLN 24 1HG GLN 24 7.525 -1.652 7.779
221 2HG GLN 24 2HG GLN 24 6.415 -2.859 7.094
222 1HE2 GLN 24 1HE2 GLN 24 6.589 -4.963 7.725
223 2HE2 GLN 24 2HE2 GLN 24 7.887 -5.601 8.712
224 H PHE 25 H PHE 25 9.274 -2.679 3.923
225 HA PHE 25 HA PHE 25 11.659 -1.691 3.192
226 1HB PHE 25 1HB PHE 25 10.924 -3.689 2.179
227 2HB PHE 25 2HB PHE 25 9.487 -2.915 1.488
228 HD1 PHE 25 1HD PHE 25 10.109 -0.830 -0.131
229 HD2 PHE 25 2HD PHE 25 12.632 -4.202 0.714
230 HE1 PHE 25 1HE PHE 25 11.336 -0.444 -2.251
231 HE2 PHE 25 2HE PHE 25 13.859 -3.816 -1.406
232 HZ PHE 25 HZ PHE 25 13.211 -1.937 -2.889
233 H TRP 26 H TRP 26 8.537 -0.546 1.813
234 HA TRP 26 HA TRP 26 9.376 1.242 -0.076
235 1HB TRP 26 1HB TRP 26 7.338 2.316 0.190
236 2HB TRP 26 2HB TRP 26 7.024 0.711 0.866
237 HD1 TRP 26 HD TRP 26 6.214 0.573 3.288
238 HE1 TRP 26 1HE TRP 26 5.700 2.237 5.146
239 HE3 TRP 26 3HE TRP 26 8.232 4.780 1.184
240 HZ2 TRP 26 2HZ TRP 26 6.109 5.055 5.667
241 HZ3 TRP 26 3HZ TRP 26 8.151 6.932 2.389
242 HH2 TRP 26 HH TRP 26 7.096 7.086 4.625
243 H VAL 27 H VAL 27 9.383 1.742 3.476
244 HA VAL 27 HA VAL 27 10.039 4.377 3.721
245 HB VAL 27 HB VAL 27 11.230 3.786 5.744
246 1HG1 VAL 27 1HG1 VAL 27 9.549 1.522 6.097
247 2HG1 VAL 27 2HG1 VAL 27 9.204 3.209 6.548
248 3HG1 VAL 27 3HG1 VAL 27 8.708 2.595 4.953
249 1HG2 VAL 27 1HG2 VAL 27 11.626 1.207 6.064
250 2HG2 VAL 27 2HG2 VAL 27 11.595 1.163 4.285
251 3HG2 VAL 27 3HG2 VAL 27 12.806 2.158 5.130
252 H LYS 28 H LYS 28 12.279 1.726 2.791
253 HA LYS 28 HA LYS 28 14.604 3.363 2.630
254 1HB LYS 28 1HB LYS 28 13.775 0.709 1.430
255 2HB LYS 28 2HB LYS 28 15.349 1.450 1.052
256 1HG LYS 28 1HG LYS 28 16.148 0.597 2.981
257 2HG LYS 28 2HG LYS 28 15.035 1.669 3.863
258 1HD LYS 28 1HD LYS 28 13.241 -0.159 3.378
259 2HD LYS 28 2HD LYS 28 14.630 -1.214 3.023
260 1HE LYS 28 1HE LYS 28 15.138 0.255 5.459
261 2HE LYS 28 2HE LYS 28 13.551 -0.538 5.572
262 1HZ LYS 28 1HZ LYS 28 14.784 -2.545 4.715
263 2HZ LYS 28 2HZ LYS 28 16.168 -1.751 5.135
264 3HZ LYS 28 3HZ LYS 28 15.039 -2.105 6.284
265 H VAL 29 H VAL 29 12.002 2.569 0.327
266 HA VAL 29 HA VAL 29 13.072 3.409 -2.070
267 HB VAL 29 HB VAL 29 10.296 3.915 -0.931
268 1HG1 VAL 29 1HG1 VAL 29 11.278 3.952 -3.818
269 2HG1 VAL 29 2HG1 VAL 29 9.597 4.172 -3.275
270 3HG1 VAL 29 3HG1 VAL 29 10.831 5.390 -2.870
271 1HG2 VAL 29 1HG2 VAL 29 11.198 1.527 -1.110
272 2HG2 VAL 29 2HG2 VAL 29 9.701 1.857 -2.015
273 3HG2 VAL 29 3HG2 VAL 29 11.260 1.780 -2.870
274 H GLN 30 H GLN 30 12.630 5.273 0.798
275 HA GLN 30 HA GLN 30 12.724 7.825 -0.702
276 1HB GLN 30 1HB GLN 30 11.791 8.784 1.146
277 2HB GLN 30 2HB GLN 30 11.289 7.112 1.493
278 1HG GLN 30 1HG GLN 30 13.470 6.825 2.757
279 2HG GLN 30 2HG GLN 30 13.734 8.572 2.564
280 1HE2 GLN 30 1HE2 GLN 30 11.143 6.277 3.606
281 2HE2 GLN 30 2HE2 GLN 30 10.603 7.239 4.966
282 H ARG 31 H ARG 31 14.551 5.839 1.649
283 HA ARG 31 HA ARG 31 16.631 6.330 2.626
284 1HB ARG 31 1HB ARG 31 17.138 4.832 0.825
285 2HB ARG 31 2HB ARG 31 17.015 6.135 -0.381
286 1HG ARG 31 1HG ARG 31 19.137 6.834 0.006
287 2HG ARG 31 2HG ARG 31 18.931 6.739 1.772
288 1HD ARG 31 1HD ARG 31 18.902 4.065 0.822
289 2HD ARG 31 2HD ARG 31 20.241 4.874 -0.020
290 HE ARG 31 HE ARG 31 20.447 5.626 2.668
291 1HH1 ARG 31 2HH2 ARG 31 20.499 2.653 0.755
292 2HH1 ARG 31 1HH2 ARG 31 21.566 1.805 1.852
293 1HH2 ARG 31 2HH1 ARG 31 21.855 4.505 4.117
294 2HH2 ARG 31 1HH1 ARG 31 22.339 2.860 3.768
295 H GLY 32 H GLY 32 17.601 7.981 -0.319
296 1HA GLY 32 1HA GLY 32 17.915 10.474 1.283
297 2HA GLY 32 2HA GLY 32 18.941 9.990 -0.087
Start of MODEL 10
1 HA PRO 1 HA PRO 1 -21.264 9.341 -1.671
2 1HB PRO 1 1HB PRO 1 -22.672 9.724 0.630
3 2HB PRO 1 2HB PRO 1 -22.537 11.004 -0.620
4 1HG PRO 1 1HG PRO 1 -24.794 9.011 -0.267
5 2HG PRO 1 2HG PRO 1 -24.929 10.795 -0.403
6 1HD PRO 1 1HD PRO 1 -25.256 9.176 -2.571
7 2HD PRO 1 2HD PRO 1 -24.375 10.726 -2.721
8 HA PRO 2 HA PRO 2 -22.256 4.873 -0.908
9 1HB PRO 2 1HB PRO 2 -19.948 3.848 -1.930
10 2HB PRO 2 2HB PRO 2 -21.301 4.370 -2.987
11 1HG PRO 2 1HG PRO 2 -18.847 5.975 -2.214
12 2HG PRO 2 2HG PRO 2 -19.472 5.671 -3.868
13 1HD PRO 2 1HD PRO 2 -20.088 7.954 -2.512
14 2HD PRO 2 2HD PRO 2 -21.326 7.126 -3.505
15 H LEU 3 H LEU 3 -20.278 7.303 0.243
16 HA LEU 3 HA LEU 3 -18.790 7.495 1.986
17 1HB LEU 3 1HB LEU 3 -21.154 6.431 2.858
18 2HB LEU 3 2HB LEU 3 -19.996 5.215 3.449
19 HG LEU 3 HG LEU 3 -19.160 8.039 3.839
20 1HD1 LEU 3 1HD1 LEU 3 -21.285 6.924 5.684
21 2HD1 LEU 3 2HD1 LEU 3 -20.712 8.601 5.521
22 3HD1 LEU 3 3HD1 LEU 3 -21.738 7.883 4.255
23 1HD2 LEU 3 1HD2 LEU 3 -17.855 6.971 5.333
24 2HD2 LEU 3 2HD2 LEU 3 -19.293 6.387 6.206
25 3HD2 LEU 3 3HD2 LEU 3 -18.618 5.434 4.863
26 H SER 4 H SER 4 -18.181 5.479 -0.203
27 HA SER 4 HA SER 4 -15.711 4.634 0.408
28 1HB SER 4 1HB SER 4 -16.176 2.196 1.241
29 2HB SER 4 2HB SER 4 -16.177 3.530 2.419
30 HG SER 4 HG SER 4 -18.584 3.028 1.150
31 H GLN 5 H GLN 5 -15.132 4.230 -1.639
32 HA GLN 5 HA GLN 5 -15.818 1.948 -3.066
33 1HB GLN 5 1HB GLN 5 -18.054 2.491 -3.401
34 2HB GLN 5 2HB GLN 5 -17.729 4.240 -3.465
35 1HG GLN 5 1HG GLN 5 -16.701 4.031 -5.652
36 2HG GLN 5 2HG GLN 5 -16.788 2.258 -5.573
37 1HE2 GLN 5 1HE2 GLN 5 -17.909 2.758 -7.738
38 2HE2 GLN 5 2HE2 GLN 5 -19.645 2.981 -7.680
39 H GLU 6 H GLU 6 -15.568 5.497 -3.702
40 HA GLU 6 HA GLU 6 -14.239 5.594 -6.050
41 1HB GLU 6 1HB GLU 6 -14.615 7.324 -3.929
42 2HB GLU 6 2HB GLU 6 -12.842 7.180 -3.994
43 1HG GLU 6 1HG GLU 6 -13.504 7.383 -6.666
44 2HG GLU 6 2HG GLU 6 -14.715 8.438 -5.906
45 H THR 7 H THR 7 -12.428 5.309 -2.933
46 HA THR 7 HA THR 7 -10.115 4.276 -4.421
47 HB THR 7 HB THR 7 -9.827 4.215 -1.545
48 HG1 THR 7 1HG THR 7 -10.597 6.111 -0.998
49 1HG2 THR 7 1HG2 THR 7 -8.019 4.491 -3.217
50 2HG2 THR 7 2HG2 THR 7 -8.716 6.053 -3.709
51 3HG2 THR 7 3HG2 THR 7 -8.049 5.853 -2.071
52 H PHE 8 H PHE 8 -10.816 3.127 -1.183
53 HA PHE 8 HA PHE 8 -10.381 0.789 -0.715
54 1HB PHE 8 1HB PHE 8 -13.277 0.827 -1.554
55 2HB PHE 8 2HB PHE 8 -12.530 0.028 -0.160
56 HD1 PHE 8 1HD PHE 8 -12.503 3.560 -1.460
57 HD2 PHE 8 2HD PHE 8 -13.316 0.914 1.825
58 HE1 PHE 8 1HE PHE 8 -13.080 5.506 -0.035
59 HE2 PHE 8 2HE PHE 8 -13.893 2.860 3.250
60 HZ PHE 8 HZ PHE 8 -13.775 5.156 2.320
61 H SER 9 H SER 9 -12.648 0.974 -3.524
62 HA SER 9 HA SER 9 -12.515 -1.490 -4.574
63 1HB SER 9 1HB SER 9 -13.580 0.533 -5.618
64 2HB SER 9 2HB SER 9 -11.976 0.999 -6.236
65 HG SER 9 HG SER 9 -12.157 -1.445 -6.931
66 H ASP 10 H ASP 10 -10.003 0.979 -5.386
67 HA ASP 10 HA ASP 10 -8.152 -1.284 -5.950
68 1HB ASP 10 1HB ASP 10 -8.585 1.430 -7.117
69 2HB ASP 10 2HB ASP 10 -6.908 0.852 -7.018
70 H LEU 11 H LEU 11 -8.944 1.110 -3.677
71 HA LEU 11 HA LEU 11 -6.279 1.838 -2.848
72 1HB LEU 11 1HB LEU 11 -8.569 3.028 -2.438
73 2HB LEU 11 2HB LEU 11 -8.721 1.899 -1.071
74 HG LEU 11 HG LEU 11 -7.101 4.302 -1.294
75 1HD1 LEU 11 1HD1 LEU 11 -6.935 3.986 1.124
76 2HD1 LEU 11 2HD1 LEU 11 -8.591 3.602 0.598
77 3HD1 LEU 11 3HD1 LEU 11 -7.448 2.289 0.968
78 1HD2 LEU 11 1HD2 LEU 11 -5.027 3.263 -0.275
79 2HD2 LEU 11 2HD2 LEU 11 -5.673 1.670 -0.738
80 3HD2 LEU 11 3HD2 LEU 11 -5.277 2.869 -1.993
81 H TRP 12 H TRP 12 -8.731 0.149 -0.837
82 HA TRP 12 HA TRP 12 -6.930 -1.075 0.887
83 1HB TRP 12 1HB TRP 12 -8.736 -2.239 1.680
84 2HB TRP 12 2HB TRP 12 -9.558 -0.944 0.800
85 HD1 TRP 12 HD TRP 12 -11.422 -1.712 -0.698
86 HE1 TRP 12 1HE TRP 12 -12.130 -3.859 -1.872
87 HE3 TRP 12 3HE TRP 12 -7.424 -4.660 0.534
88 HZ2 TRP 12 2HZ TRP 12 -11.094 -6.537 -2.237
89 HZ3 TRP 12 3HZ TRP 12 -7.320 -7.000 -0.244
90 HH2 TRP 12 HH TRP 12 -9.142 -7.951 -1.626
91 H LYS 13 H LYS 13 -8.194 -2.263 -2.253
92 HA LYS 13 HA LYS 13 -7.023 -4.829 -2.169
93 1HB LYS 13 1HB LYS 13 -8.611 -3.426 -3.913
94 2HB LYS 13 2HB LYS 13 -7.072 -3.481 -4.804
95 1HG LYS 13 1HG LYS 13 -7.950 -6.011 -3.471
96 2HG LYS 13 2HG LYS 13 -8.882 -5.489 -4.895
97 1HD LYS 13 1HD LYS 13 -7.094 -5.752 -6.334
98 2HD LYS 13 2HD LYS 13 -5.891 -5.375 -5.078
99 1HE LYS 13 1HE LYS 13 -5.563 -7.661 -5.294
100 2HE LYS 13 2HE LYS 13 -6.785 -7.631 -4.004
101 1HZ LYS 13 1HZ LYS 13 -8.334 -8.433 -5.369
102 2HZ LYS 13 2HZ LYS 13 -7.746 -7.690 -6.719
103 3HZ LYS 13 3HZ LYS 13 -7.033 -9.068 -6.159
104 H LEU 14 H LEU 14 -5.700 -1.641 -3.032
105 HA LEU 14 HA LEU 14 -3.255 -2.644 -4.154
106 1HB LEU 14 1HB LEU 14 -4.372 -0.017 -3.272
107 2HB LEU 14 2HB LEU 14 -2.599 -0.152 -3.363
108 HG LEU 14 HG LEU 14 -4.270 0.393 -5.505
109 1HD1 LEU 14 1HD1 LEU 14 -1.630 0.383 -5.052
110 2HD1 LEU 14 2HD1 LEU 14 -1.721 -1.115 -6.011
111 3HD1 LEU 14 3HD1 LEU 14 -2.289 0.423 -6.705
112 1HD2 LEU 14 1HD2 LEU 14 -4.721 -1.502 -6.741
113 2HD2 LEU 14 2HD2 LEU 14 -3.325 -2.391 -6.085
114 3HD2 LEU 14 3HD2 LEU 14 -4.807 -2.217 -5.114
115 H LEU 15 H LEU 15 -4.336 -1.719 -0.886
116 HA LEU 15 HA LEU 15 -1.759 -1.762 0.335
117 1HB LEU 15 1HB LEU 15 -4.608 -1.746 1.183
118 2HB LEU 15 2HB LEU 15 -3.457 -2.430 2.356
119 HG LEU 15 HG LEU 15 -2.217 -0.428 2.494
120 1HD1 LEU 15 1HD1 LEU 15 -1.704 0.614 0.559
121 2HD1 LEU 15 2HD1 LEU 15 -3.063 -0.173 -0.277
122 3HD1 LEU 15 3HD1 LEU 15 -3.321 1.357 0.595
123 1HD2 LEU 15 1HD2 LEU 15 -4.531 1.230 2.067
124 2HD2 LEU 15 2HD2 LEU 15 -5.067 -0.327 2.744
125 3HD2 LEU 15 3HD2 LEU 15 -3.853 0.648 3.607
126 H LYS 16 H LYS 16 -3.657 -4.242 -1.038
127 HA LYS 16 HA LYS 16 -2.922 -6.368 0.779
128 1HB LYS 16 1HB LYS 16 -4.729 -6.016 -1.321
129 2HB LYS 16 2HB LYS 16 -3.536 -7.167 -1.970
130 1HG LYS 16 1HG LYS 16 -3.790 -8.362 0.344
131 2HG LYS 16 2HG LYS 16 -5.298 -7.428 0.477
132 1HD LYS 16 1HD LYS 16 -5.757 -8.326 -1.950
133 2HD LYS 16 2HD LYS 16 -4.543 -9.558 -1.530
134 1HE LYS 16 1HE LYS 16 -5.830 -10.340 0.321
135 2HE LYS 16 2HE LYS 16 -6.896 -8.919 0.277
136 1HZ LYS 16 1HZ LYS 16 -6.941 -11.297 -1.329
137 2HZ LYS 16 2HZ LYS 16 -8.179 -10.327 -0.832
138 3HZ LYS 16 3HZ LYS 16 -7.260 -9.890 -2.130
139 H LYS 17 H LYS 17 -0.900 -4.471 -0.769
140 HA LYS 17 HA LYS 17 1.163 -6.477 -0.964
141 1HB LYS 17 1HB LYS 17 0.734 -7.075 -3.107
142 2HB LYS 17 2HB LYS 17 -0.325 -5.672 -3.386
143 1HG LYS 17 1HG LYS 17 2.714 -5.511 -3.247
144 2HG LYS 17 2HG LYS 17 1.794 -5.654 -4.764
145 1HD LYS 17 1HD LYS 17 0.514 -3.585 -3.361
146 2HD LYS 17 2HD LYS 17 2.249 -3.305 -3.080
147 1HE LYS 17 1HE LYS 17 1.091 -3.874 -5.831
148 2HE LYS 17 2HE LYS 17 1.267 -2.229 -5.183
149 1HZ LYS 17 1HZ LYS 17 3.228 -3.960 -6.248
150 2HZ LYS 17 2HZ LYS 17 3.289 -2.333 -5.981
151 3HZ LYS 17 3HZ LYS 17 3.664 -3.383 -4.766
152 H TRP 18 H TRP 18 -0.020 -3.190 -1.694
153 HA TRP 18 HA TRP 18 2.627 -2.032 -1.780
154 1HB TRP 18 1HB TRP 18 0.197 -1.255 -2.642
155 2HB TRP 18 2HB TRP 18 0.234 -0.396 -1.096
156 HD1 TRP 18 HD TRP 18 1.236 -0.056 -4.602
157 HE1 TRP 18 1HE TRP 18 2.783 1.934 -4.971
158 HE3 TRP 18 3HE TRP 18 2.444 0.943 0.271
159 HZ2 TRP 18 2HZ TRP 18 4.358 3.746 -3.356
160 HZ3 TRP 18 3HZ TRP 18 3.969 2.806 0.815
161 HH2 TRP 18 HH TRP 18 4.932 4.213 -0.982
162 H LYS 19 H LYS 19 0.100 -2.512 0.689
163 HA LYS 19 HA LYS 19 1.307 -0.863 2.687
164 1HB LYS 19 1HB LYS 19 -1.077 -2.133 2.423
165 2HB LYS 19 2HB LYS 19 -0.248 -3.261 3.522
166 1HG LYS 19 1HG LYS 19 0.289 -1.389 5.045
167 2HG LYS 19 2HG LYS 19 -0.525 -0.253 3.943
168 1HD LYS 19 1HD LYS 19 -2.659 -1.181 4.372
169 2HD LYS 19 2HD LYS 19 -1.970 -2.680 5.040
170 1HE LYS 19 1HE LYS 19 -1.131 -0.211 6.443
171 2HE LYS 19 2HE LYS 19 -2.871 -0.557 6.546
172 1HZ LYS 19 1HZ LYS 19 -1.016 -1.630 8.106
173 2HZ LYS 19 2HZ LYS 19 -2.495 -2.301 7.818
174 3HZ LYS 19 3HZ LYS 19 -1.177 -2.813 6.968
175 H MET 20 H MET 20 1.744 -4.240 1.668
176 HA MET 20 HA MET 20 3.093 -5.296 3.853
177 1HB MET 20 1HB MET 20 2.550 -6.676 1.963
178 2HB MET 20 2HB MET 20 3.530 -5.670 0.869
179 1HG MET 20 1HG MET 20 5.285 -6.383 2.930
180 2HG MET 20 2HG MET 20 4.341 -7.854 2.637
181 1HE MET 20 1HE MET 20 6.621 -5.094 1.125
182 2HE MET 20 2HE MET 20 6.854 -5.632 -0.556
183 3HE MET 20 3HE MET 20 5.258 -5.053 -0.020
184 H ARG 21 H ARG 21 4.599 -3.623 1.027
185 HA ARG 21 HA ARG 21 7.174 -3.487 2.322
186 1HB ARG 21 1HB ARG 21 7.597 -1.854 0.371
187 2HB ARG 21 2HB ARG 21 7.184 -3.535 -0.047
188 1HG ARG 21 1HG ARG 21 4.710 -2.191 0.237
189 2HG ARG 21 2HG ARG 21 5.756 -1.081 -0.681
190 1HD ARG 21 1HD ARG 21 5.795 -3.982 -1.435
191 2HD ARG 21 2HD ARG 21 4.358 -3.036 -1.877
192 HE ARG 21 HE ARG 21 7.060 -2.782 -2.978
193 1HH1 ARG 21 2HH2 ARG 21 3.885 -1.299 -2.503
194 2HH1 ARG 21 1HH2 ARG 21 4.041 -0.206 -3.860
195 1HH2 ARG 21 2HH1 ARG 21 7.265 -1.337 -4.770
196 2HH2 ARG 21 1HH1 ARG 21 5.968 -0.227 -5.152
197 H ARG 22 H ARG 22 4.421 -1.253 1.843
198 HA ARG 22 HA ARG 22 5.625 1.104 2.785
199 1HB ARG 22 1HB ARG 22 3.379 0.911 1.701
200 2HB ARG 22 2HB ARG 22 2.753 0.185 3.201
201 1HG ARG 22 1HG ARG 22 4.172 2.545 3.947
202 2HG ARG 22 2HG ARG 22 3.135 2.978 2.566
203 1HD ARG 22 1HD ARG 22 1.997 3.214 4.797
204 2HD ARG 22 2HD ARG 22 1.172 2.098 3.687
205 HE ARG 22 HE ARG 22 2.759 0.397 5.074
206 1HH1 ARG 22 2HH2 ARG 22 0.622 3.026 6.087
207 2HH1 ARG 22 1HH2 ARG 22 0.227 2.294 7.627
208 1HH2 ARG 22 2HH1 ARG 22 2.237 -0.569 7.108
209 2HH2 ARG 22 1HH1 ARG 22 1.148 0.245 8.208
210 H ASN 23 H ASN 23 5.845 -1.667 4.365
211 HA ASN 23 HA ASN 23 5.806 -0.323 7.003
212 1HB ASN 23 1HB ASN 23 3.742 -1.954 6.300
213 2HB ASN 23 2HB ASN 23 4.879 -3.145 6.968
214 1HD2 ASN 23 1HD2 ASN 23 4.099 0.281 7.808
215 2HD2 ASN 23 2HD2 ASN 23 3.740 -0.037 9.492
216 H GLN 24 H GLN 24 7.664 -1.561 4.747
217 HA GLN 24 HA GLN 24 9.723 -2.380 6.575
218 1HB GLN 24 1HB GLN 24 8.175 -4.481 5.049
219 2HB GLN 24 2HB GLN 24 9.895 -4.720 5.442
220 1HG GLN 24 1HG GLN 24 8.988 -3.868 7.852
221 2HG GLN 24 2HG GLN 24 7.511 -4.642 7.237
222 1HE2 GLN 24 1HE2 GLN 24 10.648 -5.121 8.611
223 2HE2 GLN 24 2HE2 GLN 24 10.670 -6.871 8.546
224 H PHE 25 H PHE 25 9.477 -4.023 3.492
225 HA PHE 25 HA PHE 25 11.826 -3.224 2.394
226 1HB PHE 25 1HB PHE 25 10.569 -4.801 1.203
227 2HB PHE 25 2HB PHE 25 9.130 -3.768 1.160
228 HD1 PHE 25 1HD PHE 25 9.620 -1.384 -0.064
229 HD2 PHE 25 2HD PHE 25 11.688 -5.077 -0.796
230 HE1 PHE 25 1HE PHE 25 10.267 -0.576 -2.318
231 HE2 PHE 25 2HE PHE 25 12.335 -4.269 -3.049
232 HZ PHE 25 HZ PHE 25 11.624 -2.018 -3.810
233 H TRP 26 H TRP 26 8.804 -1.327 2.489
234 HA TRP 26 HA TRP 26 9.389 0.727 0.734
235 1HB TRP 26 1HB TRP 26 7.777 1.950 1.848
236 2HB TRP 26 2HB TRP 26 7.368 0.293 2.313
237 HD1 TRP 26 HD TRP 26 7.382 -0.297 4.811
238 HE1 TRP 26 1HE TRP 26 7.784 0.973 6.982
239 HE3 TRP 26 3HE TRP 26 9.327 4.022 2.871
240 HZ2 TRP 26 2HZ TRP 26 8.823 3.550 7.790
241 HZ3 TRP 26 3HZ TRP 26 10.010 5.859 4.370
242 HH2 TRP 26 HH TRP 26 9.765 5.640 6.825
243 H VAL 27 H VAL 27 10.556 0.292 4.096
244 HA VAL 27 HA VAL 27 11.785 2.656 4.647
245 HB VAL 27 HB VAL 27 13.404 1.400 5.944
246 1HG1 VAL 27 1HG1 VAL 27 10.571 0.822 5.882
247 2HG1 VAL 27 2HG1 VAL 27 11.461 -0.638 6.376
248 3HG1 VAL 27 3HG1 VAL 27 11.667 0.880 7.283
249 1HG2 VAL 27 1HG2 VAL 27 12.726 -0.760 3.941
250 2HG2 VAL 27 2HG2 VAL 27 14.323 -0.196 4.488
251 3HG2 VAL 27 3HG2 VAL 27 13.319 -1.199 5.561
252 H LYS 28 H LYS 28 12.985 0.134 2.398
253 HA LYS 28 HA LYS 28 15.443 1.480 1.801
254 1HB LYS 28 1HB LYS 28 13.821 -0.749 0.590
255 2HB LYS 28 2HB LYS 28 15.172 -0.048 -0.333
256 1HG LYS 28 1HG LYS 28 15.646 -0.742 2.551
257 2HG LYS 28 2HG LYS 28 15.548 -2.076 1.376
258 1HD LYS 28 1HD LYS 28 17.276 -0.963 -0.017
259 2HD LYS 28 2HD LYS 28 17.385 0.350 1.180
260 1HE LYS 28 1HE LYS 28 18.282 -1.081 2.840
261 2HE LYS 28 2HE LYS 28 17.769 -2.547 1.976
262 1HZ LYS 28 1HZ LYS 28 20.071 -2.246 1.692
263 2HZ LYS 28 2HZ LYS 28 19.352 -1.927 0.243
264 3HZ LYS 28 3HZ LYS 28 19.894 -0.686 1.185
265 H VAL 29 H VAL 29 12.156 1.540 0.416
266 HA VAL 29 HA VAL 29 12.548 2.825 -1.983
267 HB VAL 29 HB VAL 29 10.422 3.327 0.134
268 1HG1 VAL 29 1HG1 VAL 29 9.234 3.885 -2.251
269 2HG1 VAL 29 2HG1 VAL 29 9.978 5.127 -1.215
270 3HG1 VAL 29 3HG1 VAL 29 10.887 4.453 -2.589
271 1HG2 VAL 29 1HG2 VAL 29 10.760 0.987 -0.855
272 2HG2 VAL 29 2HG2 VAL 29 9.141 1.695 -1.068
273 3HG2 VAL 29 3HG2 VAL 29 10.294 1.687 -2.424
274 H GLN 30 H GLN 30 13.359 3.984 1.171
275 HA GLN 30 HA GLN 30 13.463 6.792 0.247
276 1HB GLN 30 1HB GLN 30 13.347 7.367 2.450
277 2HB GLN 30 2HB GLN 30 12.698 5.719 2.629
278 1HG GLN 30 1HG GLN 30 15.072 4.917 2.977
279 2HG GLN 30 2HG GLN 30 15.580 6.620 3.010
280 1HE2 GLN 30 1HE2 GLN 30 16.352 6.137 5.214
281 2HE2 GLN 30 2HE2 GLN 30 15.212 6.175 6.542
282 H ARG 31 H ARG 31 15.540 4.114 1.405
283 HA ARG 31 HA ARG 31 17.873 4.115 1.654
284 1HB ARG 31 1HB ARG 31 17.457 3.075 -0.482
285 2HB ARG 31 2HB ARG 31 17.282 4.657 -1.278
286 1HG ARG 31 1HG ARG 31 19.631 5.187 -0.809
287 2HG ARG 31 2HG ARG 31 19.821 3.658 0.081
288 1HD ARG 31 1HD ARG 31 20.398 2.690 -1.869
289 2HD ARG 31 2HD ARG 31 18.720 2.924 -2.404
290 HE ARG 31 HE ARG 31 19.962 5.358 -2.886
291 1HH1 ARG 31 2HH2 ARG 31 20.487 1.984 -3.803
292 2HH1 ARG 31 1HH2 ARG 31 21.210 2.374 -5.348
293 1HH2 ARG 31 2HH1 ARG 31 20.917 5.873 -4.926
294 2HH2 ARG 31 1HH1 ARG 31 21.455 4.591 -5.988
295 H GLY 32 H GLY 32 18.305 5.939 2.988
296 1HA GLY 32 1HA GLY 32 20.145 7.783 2.033
297 2HA GLY 32 2HA GLY 32 18.566 8.590 1.894
Start of MODEL 11
1 HA PRO 1 HA PRO 1 -11.884 9.674 4.155
2 1HB PRO 1 1HB PRO 1 -12.918 12.181 3.898
3 2HB PRO 1 2HB PRO 1 -12.207 11.605 5.441
4 1HG PRO 1 1HG PRO 1 -10.839 13.235 3.281
5 2HG PRO 1 2HG PRO 1 -10.922 13.604 5.035
6 1HD PRO 1 1HD PRO 1 -8.772 12.327 3.951
7 2HD PRO 1 2HD PRO 1 -9.413 11.830 5.546
8 HA PRO 2 HA PRO 2 -11.313 9.924 -0.408
9 1HB PRO 2 1HB PRO 2 -12.101 7.373 -0.950
10 2HB PRO 2 2HB PRO 2 -10.471 7.741 -0.298
11 1HG PRO 2 1HG PRO 2 -12.931 6.904 1.265
12 2HG PRO 2 2HG PRO 2 -11.297 6.166 1.330
13 1HD PRO 2 1HD PRO 2 -12.082 8.041 3.146
14 2HD PRO 2 2HD PRO 2 -10.417 8.055 2.489
15 H LEU 3 H LEU 3 -13.217 8.540 -1.933
16 HA LEU 3 HA LEU 3 -15.609 10.126 -1.311
17 1HB LEU 3 1HB LEU 3 -14.496 8.658 -3.676
18 2HB LEU 3 2HB LEU 3 -16.260 8.886 -3.587
19 HG LEU 3 HG LEU 3 -15.130 10.758 -4.787
20 1HD1 LEU 3 1HD1 LEU 3 -16.871 10.950 -2.456
21 2HD1 LEU 3 2HD1 LEU 3 -15.890 12.424 -2.639
22 3HD1 LEU 3 3HD1 LEU 3 -16.922 11.870 -3.979
23 1HD2 LEU 3 1HD2 LEU 3 -13.041 10.494 -3.237
24 2HD2 LEU 3 2HD2 LEU 3 -13.513 12.129 -3.758
25 3HD2 LEU 3 3HD2 LEU 3 -13.932 11.559 -2.125
26 H SER 4 H SER 4 -14.518 7.366 -0.070
27 HA SER 4 HA SER 4 -15.488 5.516 0.863
28 1HB SER 4 1HB SER 4 -17.751 5.740 1.657
29 2HB SER 4 2HB SER 4 -16.987 7.345 1.765
30 HG SER 4 HG SER 4 -18.084 6.962 -0.667
31 H GLN 5 H GLN 5 -15.452 3.662 -0.254
32 HA GLN 5 HA GLN 5 -16.393 1.971 -1.555
33 1HB GLN 5 1HB GLN 5 -18.535 3.573 -1.413
34 2HB GLN 5 2HB GLN 5 -18.109 3.866 -3.117
35 1HG GLN 5 1HG GLN 5 -18.073 1.407 -3.505
36 2HG GLN 5 2HG GLN 5 -18.565 1.149 -1.817
37 1HE2 GLN 5 1HE2 GLN 5 -20.057 0.222 -4.071
38 2HE2 GLN 5 2HE2 GLN 5 -21.584 1.076 -4.100
39 H GLU 6 H GLU 6 -15.798 5.181 -3.037
40 HA GLU 6 HA GLU 6 -15.166 4.427 -5.629
41 1HB GLU 6 1HB GLU 6 -15.084 6.740 -4.233
42 2HB GLU 6 2HB GLU 6 -13.342 6.389 -4.316
43 1HG GLU 6 1HG GLU 6 -13.340 6.375 -6.684
44 2HG GLU 6 2HG GLU 6 -15.106 6.200 -6.771
45 H THR 7 H THR 7 -13.036 4.389 -2.730
46 HA THR 7 HA THR 7 -10.953 3.027 -4.326
47 HB THR 7 HB THR 7 -10.288 3.346 -1.541
48 HG1 THR 7 1HG THR 7 -11.351 5.101 -1.148
49 1HG2 THR 7 1HG2 THR 7 -9.385 4.850 -4.035
50 2HG2 THR 7 2HG2 THR 7 -8.496 4.725 -2.497
51 3HG2 THR 7 3HG2 THR 7 -8.743 3.277 -3.502
52 H PHE 8 H PHE 8 -11.280 2.420 -0.897
53 HA PHE 8 HA PHE 8 -10.974 0.144 -0.132
54 1HB PHE 8 1HB PHE 8 -13.947 0.329 -0.595
55 2HB PHE 8 2HB PHE 8 -13.073 -0.312 0.806
56 HD1 PHE 8 1HD PHE 8 -12.965 2.963 -1.044
57 HD2 PHE 8 2HD PHE 8 -13.524 0.933 2.700
58 HE1 PHE 8 1HE PHE 8 -13.200 5.148 0.105
59 HE2 PHE 8 2HE PHE 8 -13.760 3.118 3.849
60 HZ PHE 8 HZ PHE 8 -13.598 5.226 2.552
61 H SER 9 H SER 9 -13.614 0.121 -2.601
62 HA SER 9 HA SER 9 -13.792 -2.468 -3.270
63 1HB SER 9 1HB SER 9 -14.862 -0.515 -4.452
64 2HB SER 9 2HB SER 9 -13.348 -0.310 -5.366
65 HG SER 9 HG SER 9 -14.845 -2.719 -5.247
66 H ASP 10 H ASP 10 -11.288 -0.363 -4.808
67 HA ASP 10 HA ASP 10 -9.701 -2.829 -5.306
68 1HB ASP 10 1HB ASP 10 -8.547 -1.472 -7.008
69 2HB ASP 10 2HB ASP 10 -10.301 -1.508 -7.292
70 H LEU 11 H LEU 11 -9.916 0.035 -3.394
71 HA LEU 11 HA LEU 11 -7.121 0.491 -2.962
72 1HB LEU 11 1HB LEU 11 -9.214 1.982 -2.457
73 2HB LEU 11 2HB LEU 11 -9.268 1.079 -0.924
74 HG LEU 11 HG LEU 11 -7.477 3.225 -1.731
75 1HD1 LEU 11 1HD1 LEU 11 -7.823 1.606 0.829
76 2HD1 LEU 11 2HD1 LEU 11 -6.929 3.139 0.698
77 3HD1 LEU 11 3HD1 LEU 11 -8.685 3.106 0.409
78 1HD2 LEU 11 1HD2 LEU 11 -6.248 0.549 -0.955
79 2HD2 LEU 11 2HD2 LEU 11 -5.913 1.511 -2.414
80 3HD2 LEU 11 3HD2 LEU 11 -5.392 2.104 -0.819
81 H TRP 12 H TRP 12 -9.559 -0.855 -0.661
82 HA TRP 12 HA TRP 12 -7.752 -1.905 1.172
83 1HB TRP 12 1HB TRP 12 -9.654 -2.526 2.144
84 2HB TRP 12 2HB TRP 12 -10.516 -1.963 0.705
85 HD1 TRP 12 HD TRP 12 -12.049 -3.675 -0.302
86 HE1 TRP 12 1HE TRP 12 -12.252 -6.213 -0.375
87 HE3 TRP 12 3HE TRP 12 -7.807 -4.898 2.288
88 HZ2 TRP 12 2HZ TRP 12 -10.760 -8.505 0.573
89 HZ3 TRP 12 3HZ TRP 12 -7.233 -7.265 2.682
90 HH2 TRP 12 HH TRP 12 -8.695 -9.076 1.834
91 H LYS 13 H LYS 13 -8.863 -3.245 -1.932
92 HA LYS 13 HA LYS 13 -7.625 -5.826 -1.506
93 1HB LYS 13 1HB LYS 13 -9.453 -4.692 -3.309
94 2HB LYS 13 2HB LYS 13 -8.019 -5.066 -4.294
95 1HG LYS 13 1HG LYS 13 -8.045 -7.356 -3.025
96 2HG LYS 13 2HG LYS 13 -9.729 -6.932 -2.634
97 1HD LYS 13 1HD LYS 13 -10.367 -6.882 -4.918
98 2HD LYS 13 2HD LYS 13 -8.679 -6.785 -5.476
99 1HE LYS 13 1HE LYS 13 -9.284 -9.158 -3.814
100 2HE LYS 13 2HE LYS 13 -10.169 -9.101 -5.354
101 1HZ LYS 13 1HZ LYS 13 -7.970 -10.180 -5.424
102 2HZ LYS 13 2HZ LYS 13 -8.166 -8.958 -6.514
103 3HZ LYS 13 3HZ LYS 13 -7.273 -8.710 -5.150
104 H LEU 14 H LEU 14 -6.645 -2.687 -2.791
105 HA LEU 14 HA LEU 14 -4.375 -3.526 -4.270
106 1HB LEU 14 1HB LEU 14 -5.605 -1.077 -3.408
107 2HB LEU 14 2HB LEU 14 -3.865 -0.998 -3.038
108 HG LEU 14 HG LEU 14 -4.051 -0.214 -5.281
109 1HD1 LEU 14 1HD1 LEU 14 -2.562 -2.415 -4.677
110 2HD1 LEU 14 2HD1 LEU 14 -3.549 -3.061 -6.009
111 3HD1 LEU 14 3HD1 LEU 14 -2.536 -1.621 -6.270
112 1HD2 LEU 14 1HD2 LEU 14 -5.310 -1.520 -7.016
113 2HD2 LEU 14 2HD2 LEU 14 -5.879 -2.612 -5.730
114 3HD2 LEU 14 3HD2 LEU 14 -6.356 -0.897 -5.717
115 H LEU 15 H LEU 15 -4.813 -2.649 -0.819
116 HA LEU 15 HA LEU 15 -2.018 -2.968 -0.182
117 1HB LEU 15 1HB LEU 15 -4.578 -2.459 1.263
118 2HB LEU 15 2HB LEU 15 -3.262 -3.200 2.206
119 HG LEU 15 HG LEU 15 -2.226 -1.070 0.520
120 1HD1 LEU 15 1HD1 LEU 15 -4.786 -0.469 1.106
121 2HD1 LEU 15 2HD1 LEU 15 -4.034 0.035 2.639
122 3HD1 LEU 15 3HD1 LEU 15 -3.501 0.762 1.104
123 1HD2 LEU 15 1HD2 LEU 15 -1.988 -0.296 3.170
124 2HD2 LEU 15 2HD2 LEU 15 -2.139 -2.065 3.299
125 3HD2 LEU 15 3HD2 LEU 15 -0.847 -1.352 2.303
126 H LYS 16 H LYS 16 -4.410 -5.168 -1.050
127 HA LYS 16 HA LYS 16 -3.746 -7.289 0.811
128 1HB LYS 16 1HB LYS 16 -5.800 -6.760 -0.986
129 2HB LYS 16 2HB LYS 16 -4.905 -8.087 -1.766
130 1HG LYS 16 1HG LYS 16 -4.940 -8.955 0.827
131 2HG LYS 16 2HG LYS 16 -6.484 -8.073 0.756
132 1HD LYS 16 1HD LYS 16 -6.849 -9.352 -1.490
133 2HD LYS 16 2HD LYS 16 -5.565 -10.435 -0.902
134 1HE LYS 16 1HE LYS 16 -7.136 -10.219 1.333
135 2HE LYS 16 2HE LYS 16 -8.357 -10.096 0.049
136 1HZ LYS 16 1HZ LYS 16 -6.756 -12.324 0.838
137 2HZ LYS 16 2HZ LYS 16 -8.232 -12.284 0.102
138 3HZ LYS 16 3HZ LYS 16 -6.858 -12.108 -0.794
139 H LYS 17 H LYS 17 -1.716 -5.825 -1.127
140 HA LYS 17 HA LYS 17 -0.057 -8.156 -1.498
141 1HB LYS 17 1HB LYS 17 -0.892 -8.737 -3.523
142 2HB LYS 17 2HB LYS 17 -1.740 -7.185 -3.724
143 1HG LYS 17 1HG LYS 17 1.271 -7.536 -4.032
144 2HG LYS 17 2HG LYS 17 0.121 -7.559 -5.390
145 1HD LYS 17 1HD LYS 17 -0.575 -5.267 -3.925
146 2HD LYS 17 2HD LYS 17 1.205 -5.279 -3.911
147 1HE LYS 17 1HE LYS 17 0.471 -6.032 -6.529
148 2HE LYS 17 2HE LYS 17 -0.623 -4.698 -6.103
149 1HZ LYS 17 1HZ LYS 17 2.305 -4.691 -6.088
150 2HZ LYS 17 2HZ LYS 17 1.290 -3.763 -6.999
151 3HZ LYS 17 3HZ LYS 17 1.405 -3.509 -5.373
152 H TRP 18 H TRP 18 -0.787 -4.738 -2.206
153 HA TRP 18 HA TRP 18 1.964 -4.041 -2.751
154 1HB TRP 18 1HB TRP 18 -0.394 -2.886 -3.290
155 2HB TRP 18 2HB TRP 18 -0.020 -2.031 -1.787
156 HD1 TRP 18 HD TRP 18 0.488 -1.815 -5.387
157 HE1 TRP 18 1HE TRP 18 2.274 -0.112 -6.018
158 HE3 TRP 18 3HE TRP 18 2.609 -1.127 -0.780
159 HZ2 TRP 18 2HZ TRP 18 4.374 1.373 -4.692
160 HZ3 TRP 18 3HZ TRP 18 4.497 0.437 -0.504
161 HH2 TRP 18 HH TRP 18 5.390 1.692 -2.444
162 H LYS 19 H LYS 19 -0.225 -3.857 0.083
163 HA LYS 19 HA LYS 19 1.143 -2.376 1.886
164 1HB LYS 19 1HB LYS 19 -0.918 -3.666 2.366
165 2HB LYS 19 2HB LYS 19 0.042 -5.164 2.416
166 1HG LYS 19 1HG LYS 19 1.428 -3.419 4.109
167 2HG LYS 19 2HG LYS 19 -0.285 -3.086 4.460
168 1HD LYS 19 1HD LYS 19 -0.717 -5.323 5.081
169 2HD LYS 19 2HD LYS 19 0.738 -5.930 4.256
170 1HE LYS 19 1HE LYS 19 2.117 -4.592 5.909
171 2HE LYS 19 2HE LYS 19 0.613 -4.259 6.795
172 1HZ LYS 19 1HZ LYS 19 2.146 -6.665 6.635
173 2HZ LYS 19 2HZ LYS 19 1.145 -6.120 7.828
174 3HZ LYS 19 3HZ LYS 19 0.516 -6.885 6.508
175 H MET 20 H MET 20 2.015 -5.707 0.874
176 HA MET 20 HA MET 20 4.003 -6.413 2.567
177 1HB MET 20 1HB MET 20 4.035 -7.953 0.919
178 2HB MET 20 2HB MET 20 3.461 -6.783 -0.293
179 1HG MET 20 1HG MET 20 6.085 -5.982 0.371
180 2HG MET 20 2HG MET 20 6.155 -7.745 0.219
181 1HE MET 20 1HE MET 20 5.107 -4.354 -1.932
182 2HE MET 20 2HE MET 20 4.113 -5.293 -3.071
183 3HE MET 20 3HE MET 20 3.748 -5.332 -1.330
184 H ARG 21 H ARG 21 4.323 -3.989 -0.065
185 HA ARG 21 HA ARG 21 7.042 -3.334 0.865
186 1HB ARG 21 1HB ARG 21 5.323 -2.579 -1.507
187 2HB ARG 21 2HB ARG 21 6.794 -1.660 -1.108
188 1HG ARG 21 1HG ARG 21 8.203 -3.466 -1.538
189 2HG ARG 21 2HG ARG 21 6.933 -4.669 -1.210
190 1HD ARG 21 1HD ARG 21 5.802 -3.434 -3.322
191 2HD ARG 21 2HD ARG 21 7.508 -3.117 -3.705
192 HE ARG 21 HE ARG 21 6.130 -5.616 -3.971
193 1HH1 ARG 21 2HH2 ARG 21 9.217 -4.199 -2.989
194 2HH1 ARG 21 1HH2 ARG 21 10.155 -5.615 -3.405
195 1HH2 ARG 21 2HH1 ARG 21 7.370 -7.486 -4.521
196 2HH2 ARG 21 1HH1 ARG 21 9.102 -7.490 -4.278
197 H ARG 22 H ARG 22 3.803 -1.819 0.500
198 HA ARG 22 HA ARG 22 4.550 0.718 1.551
199 1HB ARG 22 1HB ARG 22 2.481 0.255 0.248
200 2HB ARG 22 2HB ARG 22 1.850 -0.686 1.622
201 1HG ARG 22 1HG ARG 22 2.748 1.800 2.680
202 2HG ARG 22 2HG ARG 22 1.812 2.179 1.214
203 1HD ARG 22 1HD ARG 22 0.411 2.036 3.299
204 2HD ARG 22 2HD ARG 22 -0.086 0.906 2.021
205 HE ARG 22 HE ARG 22 1.627 -0.613 3.499
206 1HH1 ARG 22 2HH2 ARG 22 -1.121 1.452 4.325
207 2HH1 ARG 22 1HH2 ARG 22 -1.581 0.512 5.727
208 1HH2 ARG 22 2HH1 ARG 22 1.020 -1.854 5.351
209 2HH2 ARG 22 1HH1 ARG 22 -0.360 -1.373 6.312
210 H ASN 23 H ASN 23 5.240 -1.940 3.062
211 HA ASN 23 HA ASN 23 4.671 -0.794 5.720
212 1HB ASN 23 1HB ASN 23 3.089 -2.840 4.699
213 2HB ASN 23 2HB ASN 23 4.304 -3.704 5.666
214 1HD2 ASN 23 1HD2 ASN 23 4.830 -1.837 7.686
215 2HD2 ASN 23 2HD2 ASN 23 3.393 -1.627 8.663
216 H GLN 24 H GLN 24 6.930 -1.503 3.645
217 HA GLN 24 HA GLN 24 8.913 -2.090 5.639
218 1HB GLN 24 1HB GLN 24 7.952 -4.297 3.809
219 2HB GLN 24 2HB GLN 24 9.637 -4.253 4.381
220 1HG GLN 24 1HG GLN 24 8.350 -3.792 6.722
221 2HG GLN 24 2HG GLN 24 7.113 -4.761 5.892
222 1HE2 GLN 24 1HE2 GLN 24 7.976 -6.000 8.029
223 2HE2 GLN 24 2HE2 GLN 24 9.163 -7.238 7.677
224 H PHE 25 H PHE 25 9.365 -3.509 2.487
225 HA PHE 25 HA PHE 25 11.592 -2.210 1.704
226 1HB PHE 25 1HB PHE 25 10.884 -3.786 0.188
227 2HB PHE 25 2HB PHE 25 9.205 -3.221 0.214
228 HD1 PHE 25 1HD PHE 25 8.964 -0.670 -0.696
229 HD2 PHE 25 2HD PHE 25 12.051 -3.456 -1.775
230 HE1 PHE 25 1HE PHE 25 9.350 0.574 -2.806
231 HE2 PHE 25 2HE PHE 25 12.436 -2.212 -3.885
232 HZ PHE 25 HZ PHE 25 11.086 -0.196 -4.401
233 H TRP 26 H TRP 26 8.298 -0.854 1.652
234 HA TRP 26 HA TRP 26 8.789 1.454 0.129
235 1HB TRP 26 1HB TRP 26 6.764 2.206 0.932
236 2HB TRP 26 2HB TRP 26 6.620 0.461 1.189
237 HD1 TRP 26 HD TRP 26 6.244 -0.378 3.584
238 HE1 TRP 26 1HE TRP 26 5.931 0.705 5.868
239 HE3 TRP 26 3HE TRP 26 7.622 4.408 2.403
240 HZ2 TRP 26 2HZ TRP 26 6.238 3.329 7.050
241 HZ3 TRP 26 3HZ TRP 26 7.599 6.169 4.132
242 HH2 TRP 26 HH TRP 26 6.911 5.648 6.454
243 H VAL 27 H VAL 27 9.267 0.833 3.631
244 HA VAL 27 HA VAL 27 9.851 3.246 4.681
245 HB VAL 27 HB VAL 27 11.444 2.160 6.135
246 1HG1 VAL 27 1HG1 VAL 27 10.014 -0.307 5.794
247 2HG1 VAL 27 2HG1 VAL 27 9.730 0.977 6.993
248 3HG1 VAL 27 3HG1 VAL 27 8.905 1.033 5.417
249 1HG2 VAL 27 1HG2 VAL 27 11.728 0.288 3.777
250 2HG2 VAL 27 2HG2 VAL 27 12.997 1.100 4.726
251 3HG2 VAL 27 3HG2 VAL 27 12.110 -0.278 5.421
252 H LYS 28 H LYS 28 11.995 1.421 2.456
253 HA LYS 28 HA LYS 28 14.093 3.390 2.527
254 1HB LYS 28 1HB LYS 28 13.424 0.920 0.992
255 2HB LYS 28 2HB LYS 28 14.531 2.074 0.211
256 1HG LYS 28 1HG LYS 28 14.984 1.378 3.103
257 2HG LYS 28 2HG LYS 28 15.454 0.195 1.860
258 1HD LYS 28 1HD LYS 28 17.233 1.439 1.216
259 2HD LYS 28 2HD LYS 28 16.263 2.930 1.162
260 1HE LYS 28 1HE LYS 28 16.364 2.840 3.756
261 2HE LYS 28 2HE LYS 28 17.690 1.680 3.525
262 1HZ LYS 28 1HZ LYS 28 17.905 4.361 3.526
263 2HZ LYS 28 2HZ LYS 28 19.035 3.299 2.965
264 3HZ LYS 28 3HZ LYS 28 17.963 3.991 1.920
265 H VAL 29 H VAL 29 11.262 2.764 0.439
266 HA VAL 29 HA VAL 29 11.773 4.435 -1.700
267 HB VAL 29 HB VAL 29 9.707 2.962 -1.112
268 1HG1 VAL 29 1HG1 VAL 29 8.291 3.750 0.454
269 2HG1 VAL 29 2HG1 VAL 29 9.386 5.125 0.732
270 3HG1 VAL 29 3HG1 VAL 29 8.082 5.255 -0.473
271 1HG2 VAL 29 1HG2 VAL 29 8.267 4.833 -2.439
272 2HG2 VAL 29 2HG2 VAL 29 9.899 5.504 -2.674
273 3HG2 VAL 29 3HG2 VAL 29 9.528 3.852 -3.225
274 H GLN 30 H GLN 30 11.529 5.295 1.625
275 HA GLN 30 HA GLN 30 10.881 8.111 1.004
276 1HB GLN 30 1HB GLN 30 10.187 8.258 3.163
277 2HB GLN 30 2HB GLN 30 10.159 6.480 3.081
278 1HG GLN 30 1HG GLN 30 12.538 6.456 3.871
279 2HG GLN 30 2HG GLN 30 12.457 8.221 4.063
280 1HE2 GLN 30 1HE2 GLN 30 13.102 7.242 6.338
281 2HE2 GLN 30 2HE2 GLN 30 11.760 7.010 7.437
282 H ARG 31 H ARG 31 13.489 6.064 2.375
283 HA ARG 31 HA ARG 31 15.616 6.739 3.087
284 1HB ARG 31 1HB ARG 31 15.940 5.933 0.838
285 2HB ARG 31 2HB ARG 31 15.389 7.477 0.146
286 1HG ARG 31 1HG ARG 31 17.505 8.024 2.017
287 2HG ARG 31 2HG ARG 31 18.046 6.732 0.919
288 1HD ARG 31 1HD ARG 31 17.154 8.183 -0.995
289 2HD ARG 31 2HD ARG 31 17.010 9.495 0.195
290 HE ARG 31 HE ARG 31 19.607 8.579 0.487
291 1HH1 ARG 31 2HH2 ARG 31 17.615 9.795 -2.169
292 2HH1 ARG 31 1HH2 ARG 31 18.963 10.492 -3.041
293 1HH2 ARG 31 2HH1 ARG 31 21.386 9.499 -0.665
294 2HH2 ARG 31 1HH1 ARG 31 21.112 10.323 -2.183
295 H GLY 32 H GLY 32 15.134 8.408 4.616
296 1HA GLY 32 1HA GLY 32 15.771 11.119 3.558
297 2HA GLY 32 2HA GLY 32 14.423 10.871 4.691
Start of MODEL 12
1 HA PRO 1 HA PRO 1 -11.626 4.938 5.093
2 1HB PRO 1 1HB PRO 1 -13.694 6.657 5.533
3 2HB PRO 1 2HB PRO 1 -13.128 5.516 6.796
4 1HG PRO 1 1HG PRO 1 -12.342 8.425 6.461
5 2HG PRO 1 2HG PRO 1 -12.959 7.628 7.945
6 1HD PRO 1 1HD PRO 1 -10.288 7.957 7.514
7 2HD PRO 1 2HD PRO 1 -10.910 6.445 8.241
8 HA PRO 2 HA PRO 2 -10.602 7.564 1.609
9 1HB PRO 2 1HB PRO 2 -11.379 5.827 -0.340
10 2HB PRO 2 2HB PRO 2 -9.918 5.535 0.658
11 1HG PRO 2 1HG PRO 2 -12.702 4.421 1.105
12 2HG PRO 2 2HG PRO 2 -11.163 3.503 1.023
13 1HD PRO 2 1HD PRO 2 -12.236 4.268 3.409
14 2HD PRO 2 2HD PRO 2 -10.468 4.350 3.141
15 H LEU 3 H LEU 3 -12.185 7.504 -0.702
16 HA LEU 3 HA LEU 3 -14.286 9.248 -0.041
17 1HB LEU 3 1HB LEU 3 -13.269 7.847 -2.414
18 2HB LEU 3 2HB LEU 3 -15.031 8.095 -2.458
19 HG LEU 3 HG LEU 3 -13.749 10.018 -3.432
20 1HD1 LEU 3 1HD1 LEU 3 -15.954 10.058 -1.810
21 2HD1 LEU 3 2HD1 LEU 3 -14.881 11.181 -0.940
22 3HD1 LEU 3 3HD1 LEU 3 -15.305 11.493 -2.641
23 1HD2 LEU 3 1HD2 LEU 3 -12.243 11.291 -2.163
24 2HD2 LEU 3 2HD2 LEU 3 -12.887 10.693 -0.616
25 3HD2 LEU 3 3HD2 LEU 3 -11.874 9.634 -1.626
26 H SER 4 H SER 4 -15.188 6.349 -1.855
27 HA SER 4 HA SER 4 -16.508 4.870 0.105
28 1HB SER 4 1HB SER 4 -18.867 6.020 -0.932
29 2HB SER 4 2HB SER 4 -18.248 6.146 0.732
30 HG SER 4 HG SER 4 -18.618 8.162 -0.550
31 H GLN 5 H GLN 5 -15.884 3.185 -1.244
32 HA GLN 5 HA GLN 5 -16.517 1.564 -2.790
33 1HB GLN 5 1HB GLN 5 -18.731 3.133 -2.872
34 2HB GLN 5 2HB GLN 5 -18.091 3.418 -4.508
35 1HG GLN 5 1HG GLN 5 -17.993 0.591 -3.655
36 2HG GLN 5 2HG GLN 5 -19.639 1.254 -3.758
37 1HE2 GLN 5 1HE2 GLN 5 -18.844 -0.775 -5.488
38 2HE2 GLN 5 2HE2 GLN 5 -18.695 -0.136 -7.112
39 H GLU 6 H GLU 6 -16.044 4.897 -4.067
40 HA GLU 6 HA GLU 6 -14.986 4.410 -6.540
41 1HB GLU 6 1HB GLU 6 -14.549 6.436 -4.415
42 2HB GLU 6 2HB GLU 6 -13.265 6.331 -5.644
43 1HG GLU 6 1HG GLU 6 -15.004 6.491 -7.427
44 2HG GLU 6 2HG GLU 6 -16.244 6.687 -6.169
45 H THR 7 H THR 7 -13.062 4.434 -3.480
46 HA THR 7 HA THR 7 -10.851 3.113 -4.910
47 HB THR 7 HB THR 7 -10.465 3.426 -2.055
48 HG1 THR 7 1HG THR 7 -10.600 5.788 -2.227
49 1HG2 THR 7 1HG2 THR 7 -8.588 4.819 -2.848
50 2HG2 THR 7 2HG2 THR 7 -8.705 3.323 -3.806
51 3HG2 THR 7 3HG2 THR 7 -9.298 4.861 -4.480
52 H PHE 8 H PHE 8 -11.539 2.460 -1.522
53 HA PHE 8 HA PHE 8 -11.203 0.188 -0.741
54 1HB PHE 8 1HB PHE 8 -14.107 0.218 -1.534
55 2HB PHE 8 2HB PHE 8 -13.360 -0.353 -0.032
56 HD1 PHE 8 1HD PHE 8 -13.216 2.901 -1.915
57 HD2 PHE 8 2HD PHE 8 -14.114 0.885 1.770
58 HE1 PHE 8 1HE PHE 8 -13.707 5.082 -0.841
59 HE2 PHE 8 2HE PHE 8 -14.605 3.066 2.844
60 HZ PHE 8 HZ PHE 8 -14.401 5.165 1.538
61 H SER 9 H SER 9 -13.549 0.068 -3.488
62 HA SER 9 HA SER 9 -13.522 -2.519 -4.188
63 1HB SER 9 1HB SER 9 -14.556 -0.605 -5.466
64 2HB SER 9 2HB SER 9 -12.965 -0.319 -6.212
65 HG SER 9 HG SER 9 -13.099 -2.652 -6.765
66 H ASP 10 H ASP 10 -10.984 -0.276 -5.452
67 HA ASP 10 HA ASP 10 -9.227 -2.652 -5.784
68 1HB ASP 10 1HB ASP 10 -8.077 -1.405 -7.455
69 2HB ASP 10 2HB ASP 10 -9.809 -1.146 -7.758
70 H LEU 11 H LEU 11 -9.851 0.002 -3.753
71 HA LEU 11 HA LEU 11 -7.114 0.641 -3.060
72 1HB LEU 11 1HB LEU 11 -9.313 2.044 -2.795
73 2HB LEU 11 2HB LEU 11 -9.502 1.130 -1.279
74 HG LEU 11 HG LEU 11 -7.724 3.353 -1.872
75 1HD1 LEU 11 1HD1 LEU 11 -8.902 1.882 0.411
76 2HD1 LEU 11 2HD1 LEU 11 -7.311 2.605 0.750
77 3HD1 LEU 11 3HD1 LEU 11 -8.653 3.630 0.187
78 1HD2 LEU 11 1HD2 LEU 11 -6.475 0.720 -0.993
79 2HD2 LEU 11 2HD2 LEU 11 -6.018 1.723 -2.390
80 3HD2 LEU 11 3HD2 LEU 11 -5.707 2.305 -0.737
81 H TRP 12 H TRP 12 -9.737 -0.756 -1.010
82 HA TRP 12 HA TRP 12 -8.083 -1.790 0.974
83 1HB TRP 12 1HB TRP 12 -10.058 -2.414 1.784
84 2HB TRP 12 2HB TRP 12 -10.798 -1.865 0.274
85 HD1 TRP 12 HD TRP 12 -12.243 -3.593 -0.831
86 HE1 TRP 12 1HE TRP 12 -12.419 -6.132 -0.910
87 HE3 TRP 12 3HE TRP 12 -8.198 -4.773 2.075
88 HZ2 TRP 12 2HZ TRP 12 -10.985 -8.409 0.155
89 HZ3 TRP 12 3HZ TRP 12 -7.636 -7.134 2.520
90 HH2 TRP 12 HH TRP 12 -9.016 -8.960 1.570
91 H LYS 13 H LYS 13 -8.965 -3.171 -2.193
92 HA LYS 13 HA LYS 13 -7.791 -5.746 -1.686
93 1HB LYS 13 1HB LYS 13 -9.402 -4.611 -3.638
94 2HB LYS 13 2HB LYS 13 -7.855 -4.851 -4.486
95 1HG LYS 13 1HG LYS 13 -8.019 -7.210 -3.149
96 2HG LYS 13 2HG LYS 13 -9.752 -6.862 -3.358
97 1HD LYS 13 1HD LYS 13 -9.336 -7.936 -5.366
98 2HD LYS 13 2HD LYS 13 -8.950 -6.265 -5.843
99 1HE LYS 13 1HE LYS 13 -6.584 -7.247 -4.683
100 2HE LYS 13 2HE LYS 13 -7.201 -8.597 -5.660
101 1HZ LYS 13 1HZ LYS 13 -5.815 -6.498 -6.580
102 2HZ LYS 13 2HZ LYS 13 -6.727 -7.522 -7.497
103 3HZ LYS 13 3HZ LYS 13 -7.364 -6.092 -6.976
104 H LEU 14 H LEU 14 -6.600 -2.615 -2.817
105 HA LEU 14 HA LEU 14 -4.155 -3.541 -3.959
106 1HB LEU 14 1HB LEU 14 -5.438 -1.010 -3.262
107 2HB LEU 14 2HB LEU 14 -3.690 -0.980 -2.928
108 HG LEU 14 HG LEU 14 -4.676 -0.434 -5.367
109 1HD1 LEU 14 1HD1 LEU 14 -2.273 -0.464 -4.574
110 2HD1 LEU 14 2HD1 LEU 14 -2.225 -2.198 -4.970
111 3HD1 LEU 14 3HD1 LEU 14 -2.493 -0.999 -6.257
112 1HD2 LEU 14 1HD2 LEU 14 -5.393 -3.122 -5.055
113 2HD2 LEU 14 2HD2 LEU 14 -5.319 -2.226 -6.591
114 3HD2 LEU 14 3HD2 LEU 14 -3.920 -3.184 -6.052
115 H LEU 15 H LEU 15 -5.039 -2.386 -0.671
116 HA LEU 15 HA LEU 15 -2.410 -2.605 0.410
117 1HB LEU 15 1HB LEU 15 -5.195 -2.591 1.609
118 2HB LEU 15 2HB LEU 15 -3.728 -2.703 2.610
119 HG LEU 15 HG LEU 15 -4.356 -0.494 0.604
120 1HD1 LEU 15 1HD1 LEU 15 -4.289 0.865 2.809
121 2HD1 LEU 15 2HD1 LEU 15 -5.733 -0.132 2.505
122 3HD1 LEU 15 3HD1 LEU 15 -4.477 -0.705 3.629
123 1HD2 LEU 15 1HD2 LEU 15 -1.962 -1.175 2.320
124 2HD2 LEU 15 2HD2 LEU 15 -2.013 -0.652 0.620
125 3HD2 LEU 15 3HD2 LEU 15 -2.323 0.521 1.922
126 H LYS 16 H LYS 16 -4.627 -4.972 -0.657
127 HA LYS 16 HA LYS 16 -3.967 -7.027 1.271
128 1HB LYS 16 1HB LYS 16 -5.905 -6.646 -0.686
129 2HB LYS 16 2HB LYS 16 -4.876 -7.926 -1.372
130 1HG LYS 16 1HG LYS 16 -5.046 -9.156 0.814
131 2HG LYS 16 2HG LYS 16 -6.197 -7.919 1.374
132 1HD LYS 16 1HD LYS 16 -7.807 -8.518 -0.279
133 2HD LYS 16 2HD LYS 16 -6.615 -9.454 -1.213
134 1HE LYS 16 1HE LYS 16 -6.499 -11.154 0.486
135 2HE LYS 16 2HE LYS 16 -7.431 -10.163 1.629
136 1HZ LYS 16 1HZ LYS 16 -8.899 -11.691 0.744
137 2HZ LYS 16 2HZ LYS 16 -9.241 -10.291 -0.058
138 3HZ LYS 16 3HZ LYS 16 -8.375 -11.480 -0.805
139 H LYS 17 H LYS 17 -1.905 -5.461 -0.575
140 HA LYS 17 HA LYS 17 -0.077 -7.691 -0.766
141 1HB LYS 17 1HB LYS 17 -0.767 -8.348 -2.829
142 2HB LYS 17 2HB LYS 17 -1.625 -6.820 -3.139
143 1HG LYS 17 1HG LYS 17 1.408 -7.096 -3.173
144 2HG LYS 17 2HG LYS 17 0.388 -7.205 -4.627
145 1HD LYS 17 1HD LYS 17 -0.510 -4.888 -3.327
146 2HD LYS 17 2HD LYS 17 1.259 -4.840 -3.136
147 1HE LYS 17 1HE LYS 17 0.501 -3.747 -5.244
148 2HE LYS 17 2HE LYS 17 1.565 -5.138 -5.543
149 1HZ LYS 17 1HZ LYS 17 -1.328 -5.470 -5.505
150 2HZ LYS 17 2HZ LYS 17 -0.573 -4.907 -6.859
151 3HZ LYS 17 3HZ LYS 17 -0.182 -6.390 -6.253
152 H TRP 18 H TRP 18 -0.950 -4.339 -1.640
153 HA TRP 18 HA TRP 18 1.767 -3.468 -2.002
154 1HB TRP 18 1HB TRP 18 -0.648 -2.460 -2.630
155 2HB TRP 18 2HB TRP 18 -0.358 -1.571 -1.128
156 HD1 TRP 18 HD TRP 18 0.207 -1.341 -4.711
157 HE1 TRP 18 1HE TRP 18 1.926 0.437 -5.318
158 HE3 TRP 18 3HE TRP 18 2.227 -0.555 -0.074
159 HZ2 TRP 18 2HZ TRP 18 3.939 2.015 -3.964
160 HZ3 TRP 18 3HZ TRP 18 4.040 1.091 0.227
161 HH2 TRP 18 HH TRP 18 4.906 2.381 -1.702
162 H LYS 19 H LYS 19 -0.574 -3.368 0.718
163 HA LYS 19 HA LYS 19 0.726 -1.830 2.562
164 1HB LYS 19 1HB LYS 19 -1.423 -3.095 2.878
165 2HB LYS 19 2HB LYS 19 -0.462 -4.566 3.158
166 1HG LYS 19 1HG LYS 19 0.783 -3.199 4.961
167 2HG LYS 19 2HG LYS 19 -0.547 -2.025 4.816
168 1HD LYS 19 1HD LYS 19 -2.127 -4.044 5.151
169 2HD LYS 19 2HD LYS 19 -0.679 -4.929 5.688
170 1HE LYS 19 1HE LYS 19 -0.536 -2.478 7.040
171 2HE LYS 19 2HE LYS 19 -2.260 -2.906 7.095
172 1HZ LYS 19 1HZ LYS 19 -0.114 -4.026 8.501
173 2HZ LYS 19 2HZ LYS 19 -1.733 -4.269 8.699
174 3HZ LYS 19 3HZ LYS 19 -0.885 -5.196 7.630
175 H MET 20 H MET 20 1.763 -4.945 1.285
176 HA MET 20 HA MET 20 3.544 -5.798 3.251
177 1HB MET 20 1HB MET 20 3.045 -7.126 1.279
178 2HB MET 20 2HB MET 20 3.776 -5.896 0.219
179 1HG MET 20 1HG MET 20 5.715 -6.483 2.188
180 2HG MET 20 2HG MET 20 5.043 -8.048 1.700
181 1HE MET 20 1HE MET 20 6.939 -4.998 -1.226
182 2HE MET 20 2HE MET 20 5.272 -4.852 -0.620
183 3HE MET 20 3HE MET 20 6.644 -4.703 0.504
184 H ARG 21 H ARG 21 4.190 -3.556 0.501
185 HA ARG 21 HA ARG 21 6.832 -2.923 1.579
186 1HB ARG 21 1HB ARG 21 6.759 -1.260 -0.382
187 2HB ARG 21 2HB ARG 21 6.694 -2.992 -0.791
188 1HG ARG 21 1HG ARG 21 4.033 -1.867 -0.269
189 2HG ARG 21 2HG ARG 21 4.867 -1.040 -1.607
190 1HD ARG 21 1HD ARG 21 5.452 -3.703 -2.089
191 2HD ARG 21 2HD ARG 21 3.795 -3.786 -1.454
192 HE ARG 21 HE ARG 21 3.045 -2.882 -3.433
193 1HH1 ARG 21 2HH2 ARG 21 6.458 -2.079 -2.975
194 2HH1 ARG 21 1HH2 ARG 21 6.625 -1.301 -4.533
195 1HH2 ARG 21 2HH1 ARG 21 3.266 -1.853 -5.490
196 2HH2 ARG 21 1HH1 ARG 21 4.805 -1.172 -5.967
197 H ARG 22 H ARG 22 3.615 -1.385 1.270
198 HA ARG 22 HA ARG 22 4.359 1.176 2.231
199 1HB ARG 22 1HB ARG 22 2.229 0.731 1.103
200 2HB ARG 22 2HB ARG 22 1.725 -0.337 2.435
201 1HG ARG 22 1HG ARG 22 0.888 2.134 2.449
202 2HG ARG 22 2HG ARG 22 1.535 1.455 3.962
203 1HD ARG 22 1HD ARG 22 2.412 3.760 3.368
204 2HD ARG 22 2HD ARG 22 3.663 2.526 3.629
205 HE ARG 22 HE ARG 22 4.222 2.610 1.363
206 1HH1 ARG 22 2HH2 ARG 22 1.280 4.451 2.040
207 2HH1 ARG 22 1HH2 ARG 22 1.244 5.231 0.475
208 1HH2 ARG 22 2HH1 ARG 22 4.174 3.641 -0.705
209 2HH2 ARG 22 1HH1 ARG 22 2.894 4.769 -1.090
210 H ASN 23 H ASN 23 5.170 -1.469 3.752
211 HA ASN 23 HA ASN 23 4.811 -0.246 6.414
212 1HB ASN 23 1HB ASN 23 3.109 -2.255 5.606
213 2HB ASN 23 2HB ASN 23 4.411 -3.170 6.396
214 1HD2 ASN 23 1HD2 ASN 23 1.469 -1.797 6.955
215 2HD2 ASN 23 2HD2 ASN 23 1.624 -1.407 8.655
216 H GLN 24 H GLN 24 6.891 -1.066 4.177
217 HA GLN 24 HA GLN 24 9.034 -1.564 6.017
218 1HB GLN 24 1HB GLN 24 7.890 -3.871 4.435
219 2HB GLN 24 2HB GLN 24 9.624 -3.814 4.834
220 1HG GLN 24 1HG GLN 24 8.560 -3.178 7.254
221 2HG GLN 24 2HG GLN 24 7.262 -4.206 6.611
222 1HE2 GLN 24 1HE2 GLN 24 8.394 -5.239 8.768
223 2HE2 GLN 24 2HE2 GLN 24 9.530 -6.515 8.384
224 H PHE 25 H PHE 25 9.142 -3.169 2.912
225 HA PHE 25 HA PHE 25 11.317 -1.990 1.848
226 1HB PHE 25 1HB PHE 25 10.308 -3.663 0.568
227 2HB PHE 25 2HB PHE 25 8.728 -2.862 0.582
228 HD1 PHE 25 1HD PHE 25 8.829 -0.377 -0.524
229 HD2 PHE 25 2HD PHE 25 11.440 -3.662 -1.443
230 HE1 PHE 25 1HE PHE 25 9.320 0.632 -2.736
231 HE2 PHE 25 2HE PHE 25 11.930 -2.653 -3.655
232 HZ PHE 25 HZ PHE 25 10.871 -0.506 -4.301
233 H TRP 26 H TRP 26 8.064 -0.529 2.002
234 HA TRP 26 HA TRP 26 8.453 1.682 0.343
235 1HB TRP 26 1HB TRP 26 6.588 2.584 1.374
236 2HB TRP 26 2HB TRP 26 6.394 0.854 1.691
237 HD1 TRP 26 HD TRP 26 6.234 0.095 4.130
238 HE1 TRP 26 1HE TRP 26 6.268 1.234 6.408
239 HE3 TRP 26 3HE TRP 26 7.780 4.754 2.680
240 HZ2 TRP 26 2HZ TRP 26 6.889 3.848 7.482
241 HZ3 TRP 26 3HZ TRP 26 8.081 6.539 4.356
242 HH2 TRP 26 HH TRP 26 7.641 6.105 6.755
243 H VAL 27 H VAL 27 9.374 1.217 3.778
244 HA VAL 27 HA VAL 27 10.179 3.700 4.549
245 HB VAL 27 HB VAL 27 11.784 2.632 5.981
246 1HG1 VAL 27 1HG1 VAL 27 10.207 0.228 5.947
247 2HG1 VAL 27 2HG1 VAL 27 10.083 1.616 7.054
248 3HG1 VAL 27 3HG1 VAL 27 9.146 1.598 5.541
249 1HG2 VAL 27 1HG2 VAL 27 12.355 0.160 5.481
250 2HG2 VAL 27 2HG2 VAL 27 11.755 0.484 3.836
251 3HG2 VAL 27 3HG2 VAL 27 13.145 1.395 4.472
252 H LYS 28 H LYS 28 12.020 1.476 2.407
253 HA LYS 28 HA LYS 28 14.277 3.177 2.091
254 1HB LYS 28 1HB LYS 28 13.067 0.899 0.517
255 2HB LYS 28 2HB LYS 28 14.472 1.794 -0.111
256 1HG LYS 28 1HG LYS 28 14.343 0.536 2.661
257 2HG LYS 28 2HG LYS 28 15.090 -0.241 1.244
258 1HD LYS 28 1HD LYS 28 16.461 1.956 1.021
259 2HD LYS 28 2HD LYS 28 15.943 2.281 2.693
260 1HE LYS 28 1HE LYS 28 16.743 -0.291 2.965
261 2HE LYS 28 2HE LYS 28 17.810 0.204 1.633
262 1HZ LYS 28 1HZ LYS 28 18.230 2.203 3.140
263 2HZ LYS 28 2HZ LYS 28 17.668 1.232 4.349
264 3HZ LYS 28 3HZ LYS 28 18.986 0.774 3.468
265 H VAL 29 H VAL 29 11.155 2.924 0.378
266 HA VAL 29 HA VAL 29 11.615 4.446 -1.874
267 HB VAL 29 HB VAL 29 9.213 4.497 -0.006
268 1HG1 VAL 29 1HG1 VAL 29 8.837 6.350 -1.375
269 2HG1 VAL 29 2HG1 VAL 29 9.756 5.662 -2.734
270 3HG1 VAL 29 3HG1 VAL 29 8.128 5.048 -2.359
271 1HG2 VAL 29 1HG2 VAL 29 9.989 2.274 -0.995
272 2HG2 VAL 29 2HG2 VAL 29 8.331 2.763 -1.421
273 3HG2 VAL 29 3HG2 VAL 29 9.650 2.967 -2.599
274 H GLN 30 H GLN 30 11.914 5.425 1.423
275 HA GLN 30 HA GLN 30 11.644 8.288 0.752
276 1HB GLN 30 1HB GLN 30 11.270 8.604 2.973
277 2HB GLN 30 2HB GLN 30 10.942 6.854 2.972
278 1HG GLN 30 1HG GLN 30 13.341 6.432 3.496
279 2HG GLN 30 2HG GLN 30 13.618 8.186 3.562
280 1HE2 GLN 30 1HE2 GLN 30 12.853 9.400 5.325
281 2HE2 GLN 30 2HE2 GLN 30 12.232 8.649 6.780
282 H ARG 31 H ARG 31 14.059 5.904 1.927
283 HA ARG 31 HA ARG 31 16.334 6.305 2.376
284 1HB ARG 31 1HB ARG 31 15.800 5.475 -0.063
285 2HB ARG 31 2HB ARG 31 16.361 7.098 -0.533
286 1HG ARG 31 1HG ARG 31 18.332 6.435 1.202
287 2HG ARG 31 2HG ARG 31 17.887 4.808 0.635
288 1HD ARG 31 1HD ARG 31 18.375 5.330 -1.618
289 2HD ARG 31 2HD ARG 31 18.324 7.080 -1.317
290 HE ARG 31 HE ARG 31 20.394 6.134 0.279
291 1HH1 ARG 31 2HH2 ARG 31 19.552 6.080 -3.155
292 2HH1 ARG 31 1HH2 ARG 31 21.214 6.067 -3.702
293 1HH2 ARG 31 2HH1 ARG 31 22.589 6.118 -0.444
294 2HH2 ARG 31 1HH1 ARG 31 22.945 6.089 -2.157
295 H GLY 32 H GLY 32 17.770 8.135 0.310
296 1HA GLY 32 1HA GLY 32 17.941 10.519 0.009
297 2HA GLY 32 2HA GLY 32 17.063 10.752 1.538
Start of MODEL 13
1 HA PRO 1 HA PRO 1 -15.013 10.733 -3.343
2 1HB PRO 1 1HB PRO 1 -15.340 12.962 -1.810
3 2HB PRO 1 2HB PRO 1 -14.107 12.882 -3.111
4 1HG PRO 1 1HG PRO 1 -16.901 14.046 -3.295
5 2HG PRO 1 2HG PRO 1 -15.359 14.839 -3.755
6 1HD PRO 1 1HD PRO 1 -16.911 13.572 -5.602
7 2HD PRO 1 2HD PRO 1 -15.128 13.432 -5.666
8 HA PRO 2 HA PRO 2 -19.425 9.914 -2.255
9 1HB PRO 2 1HB PRO 2 -19.173 7.217 -1.959
10 2HB PRO 2 2HB PRO 2 -19.284 7.985 -3.577
11 1HG PRO 2 1HG PRO 2 -16.765 7.187 -2.090
12 2HG PRO 2 2HG PRO 2 -17.221 6.752 -3.770
13 1HD PRO 2 1HD PRO 2 -15.590 8.871 -3.243
14 2HD PRO 2 2HD PRO 2 -16.838 8.983 -4.521
15 H LEU 3 H LEU 3 -16.508 10.194 -0.767
16 HA LEU 3 HA LEU 3 -15.949 10.424 1.449
17 1HB LEU 3 1HB LEU 3 -18.792 10.545 1.449
18 2HB LEU 3 2HB LEU 3 -18.319 9.467 2.784
19 HG LEU 3 HG LEU 3 -16.477 11.629 2.816
20 1HD1 LEU 3 1HD1 LEU 3 -18.275 13.470 3.240
21 2HD1 LEU 3 2HD1 LEU 3 -17.843 13.088 1.557
22 3HD1 LEU 3 3HD1 LEU 3 -19.343 12.438 2.260
23 1HD2 LEU 3 1HD2 LEU 3 -18.050 12.166 4.912
24 2HD2 LEU 3 2HD2 LEU 3 -18.735 10.577 4.497
25 3HD2 LEU 3 3HD2 LEU 3 -17.004 10.727 4.884
26 H SER 4 H SER 4 -16.580 7.681 -0.199
27 HA SER 4 HA SER 4 -14.909 5.966 1.038
28 1HB SER 4 1HB SER 4 -16.602 4.565 2.462
29 2HB SER 4 2HB SER 4 -15.859 6.016 3.176
30 HG SER 4 HG SER 4 -18.464 5.511 2.544
31 H GLN 5 H GLN 5 -15.168 3.712 0.375
32 HA GLN 5 HA GLN 5 -16.189 1.996 -0.849
33 1HB GLN 5 1HB GLN 5 -18.374 3.426 -0.494
34 2HB GLN 5 2HB GLN 5 -18.071 3.945 -2.169
35 1HG GLN 5 1HG GLN 5 -18.321 1.783 -3.025
36 2HG GLN 5 2HG GLN 5 -17.952 1.014 -1.465
37 1HE2 GLN 5 1HE2 GLN 5 -19.896 -0.283 -1.764
38 2HE2 GLN 5 2HE2 GLN 5 -21.465 0.401 -1.399
39 H GLU 6 H GLU 6 -15.459 5.218 -2.118
40 HA GLU 6 HA GLU 6 -15.116 4.569 -4.840
41 1HB GLU 6 1HB GLU 6 -15.098 6.861 -3.699
42 2HB GLU 6 2HB GLU 6 -13.403 6.523 -3.273
43 1HG GLU 6 1HG GLU 6 -13.957 5.912 -6.078
44 2HG GLU 6 2HG GLU 6 -14.343 7.602 -5.690
45 H THR 7 H THR 7 -12.660 4.664 -2.192
46 HA THR 7 HA THR 7 -10.772 3.230 -3.937
47 HB THR 7 HB THR 7 -9.964 3.665 -1.157
48 HG1 THR 7 1HG THR 7 -10.875 5.844 -2.733
49 1HG2 THR 7 1HG2 THR 7 -8.963 4.863 -3.772
50 2HG2 THR 7 2HG2 THR 7 -8.057 4.691 -2.250
51 3HG2 THR 7 3HG2 THR 7 -8.511 3.245 -3.184
52 H PHE 8 H PHE 8 -10.963 2.714 -0.448
53 HA PHE 8 HA PHE 8 -10.528 0.454 0.346
54 1HB PHE 8 1HB PHE 8 -13.519 0.530 0.020
55 2HB PHE 8 2HB PHE 8 -12.556 -0.009 1.406
56 HD1 PHE 8 1HD PHE 8 -12.665 3.176 -0.595
57 HD2 PHE 8 2HD PHE 8 -12.976 1.307 3.260
58 HE1 PHE 8 1HE PHE 8 -12.938 5.403 0.462
59 HE2 PHE 8 2HE PHE 8 -13.250 3.533 4.317
60 HZ PHE 8 HZ PHE 8 -13.231 5.581 2.918
61 H SER 9 H SER 9 -13.283 0.304 -1.989
62 HA SER 9 HA SER 9 -13.423 -2.300 -2.595
63 1HB SER 9 1HB SER 9 -14.606 -0.420 -3.771
64 2HB SER 9 2HB SER 9 -13.136 -0.166 -4.743
65 HG SER 9 HG SER 9 -14.238 -2.738 -4.548
66 H ASP 10 H ASP 10 -11.050 -0.175 -4.305
67 HA ASP 10 HA ASP 10 -9.447 -2.611 -4.866
68 1HB ASP 10 1HB ASP 10 -9.986 -0.048 -6.242
69 2HB ASP 10 2HB ASP 10 -8.284 -0.557 -6.268
70 H LEU 11 H LEU 11 -9.593 0.261 -2.931
71 HA LEU 11 HA LEU 11 -6.785 0.675 -2.560
72 1HB LEU 11 1HB LEU 11 -8.979 2.095 -1.944
73 2HB LEU 11 2HB LEU 11 -8.731 1.295 -0.374
74 HG LEU 11 HG LEU 11 -6.902 3.185 -1.864
75 1HD1 LEU 11 1HD1 LEU 11 -7.594 4.518 -0.183
76 2HD1 LEU 11 2HD1 LEU 11 -8.510 3.175 0.543
77 3HD1 LEU 11 3HD1 LEU 11 -6.800 3.419 0.971
78 1HD2 LEU 11 1HD2 LEU 11 -5.334 1.486 -1.487
79 2HD2 LEU 11 2HD2 LEU 11 -5.220 2.429 0.019
80 3HD2 LEU 11 3HD2 LEU 11 -6.158 0.916 -0.015
81 H TRP 12 H TRP 12 -9.163 -0.603 -0.163
82 HA TRP 12 HA TRP 12 -7.306 -1.707 1.589
83 1HB TRP 12 1HB TRP 12 -9.183 -2.243 2.654
84 2HB TRP 12 2HB TRP 12 -10.093 -1.677 1.246
85 HD1 TRP 12 HD TRP 12 -11.735 -3.356 0.367
86 HE1 TRP 12 1HE TRP 12 -12.010 -5.888 0.337
87 HE3 TRP 12 3HE TRP 12 -7.381 -4.669 2.717
88 HZ2 TRP 12 2HZ TRP 12 -10.528 -8.210 1.223
89 HZ3 TRP 12 3HZ TRP 12 -6.849 -7.047 3.106
90 HH2 TRP 12 HH TRP 12 -8.407 -8.826 2.367
91 H LYS 13 H LYS 13 -8.658 -3.054 -1.424
92 HA LYS 13 HA LYS 13 -7.509 -5.669 -1.059
93 1HB LYS 13 1HB LYS 13 -9.449 -4.749 -2.634
94 2HB LYS 13 2HB LYS 13 -8.100 -4.533 -3.775
95 1HG LYS 13 1HG LYS 13 -8.123 -7.126 -2.323
96 2HG LYS 13 2HG LYS 13 -9.476 -6.881 -3.453
97 1HD LYS 13 1HD LYS 13 -7.386 -5.956 -4.957
98 2HD LYS 13 2HD LYS 13 -6.572 -7.217 -4.000
99 1HE LYS 13 1HE LYS 13 -7.540 -8.838 -5.222
100 2HE LYS 13 2HE LYS 13 -9.155 -8.175 -4.890
101 1HZ LYS 13 1HZ LYS 13 -9.151 -7.040 -6.802
102 2HZ LYS 13 2HZ LYS 13 -7.517 -6.821 -6.846
103 3HZ LYS 13 3HZ LYS 13 -8.167 -8.275 -7.276
104 H LEU 14 H LEU 14 -6.423 -2.593 -2.446
105 HA LEU 14 HA LEU 14 -4.221 -3.560 -3.937
106 1HB LEU 14 1HB LEU 14 -5.274 -1.021 -2.995
107 2HB LEU 14 2HB LEU 14 -3.500 -1.058 -2.855
108 HG LEU 14 HG LEU 14 -4.723 -0.380 -5.147
109 1HD1 LEU 14 1HD1 LEU 14 -2.646 -1.643 -6.262
110 2HD1 LEU 14 2HD1 LEU 14 -2.411 -0.236 -5.198
111 3HD1 LEU 14 3HD1 LEU 14 -2.188 -1.883 -4.559
112 1HD2 LEU 14 1HD2 LEU 14 -5.542 -2.095 -6.382
113 2HD2 LEU 14 2HD2 LEU 14 -4.159 -3.144 -5.985
114 3HD2 LEU 14 3HD2 LEU 14 -5.539 -3.028 -4.866
115 H LEU 15 H LEU 15 -4.506 -2.525 -0.507
116 HA LEU 15 HA LEU 15 -1.735 -2.951 0.094
117 1HB LEU 15 1HB LEU 15 -4.271 -2.628 1.708
118 2HB LEU 15 2HB LEU 15 -2.727 -3.025 2.499
119 HG LEU 15 HG LEU 15 -3.032 -0.704 0.558
120 1HD1 LEU 15 1HD1 LEU 15 -4.557 -0.466 2.545
121 2HD1 LEU 15 2HD1 LEU 15 -3.134 -0.628 3.603
122 3HD1 LEU 15 3HD1 LEU 15 -3.266 0.759 2.495
123 1HD2 LEU 15 1HD2 LEU 15 -1.049 -0.375 2.612
124 2HD2 LEU 15 2HD2 LEU 15 -0.838 -1.988 1.889
125 3HD2 LEU 15 3HD2 LEU 15 -0.805 -0.539 0.856
126 H LYS 16 H LYS 16 -4.252 -5.100 -0.650
127 HA LYS 16 HA LYS 16 -3.503 -7.237 1.163
128 1HB LYS 16 1HB LYS 16 -5.670 -6.654 -0.490
129 2HB LYS 16 2HB LYS 16 -4.876 -8.021 -1.306
130 1HG LYS 16 1HG LYS 16 -4.756 -8.819 1.322
131 2HG LYS 16 2HG LYS 16 -6.295 -7.924 1.299
132 1HD LYS 16 1HD LYS 16 -6.855 -10.170 0.702
133 2HD LYS 16 2HD LYS 16 -6.859 -9.258 -0.827
134 1HE LYS 16 1HE LYS 16 -4.657 -10.069 -1.399
135 2HE LYS 16 2HE LYS 16 -4.447 -10.794 0.209
136 1HZ LYS 16 1HZ LYS 16 -5.519 -12.573 -0.440
137 2HZ LYS 16 2HZ LYS 16 -6.774 -11.720 -1.086
138 3HZ LYS 16 3HZ LYS 16 -5.426 -12.015 -1.989
139 H LYS 17 H LYS 17 -1.600 -5.824 -0.942
140 HA LYS 17 HA LYS 17 -0.036 -8.201 -1.436
141 1HB LYS 17 1HB LYS 17 -1.058 -8.745 -3.387
142 2HB LYS 17 2HB LYS 17 -1.844 -7.154 -3.531
143 1HG LYS 17 1HG LYS 17 1.118 -7.641 -4.048
144 2HG LYS 17 2HG LYS 17 -0.122 -7.620 -5.324
145 1HD LYS 17 1HD LYS 17 -0.617 -5.294 -3.832
146 2HD LYS 17 2HD LYS 17 1.157 -5.384 -3.936
147 1HE LYS 17 1HE LYS 17 0.405 -6.083 -6.493
148 2HE LYS 17 2HE LYS 17 -0.849 -4.901 -6.058
149 1HZ LYS 17 1HZ LYS 17 1.241 -3.625 -5.226
150 2HZ LYS 17 2HZ LYS 17 1.997 -4.533 -6.376
151 3HZ LYS 17 3HZ LYS 17 0.747 -3.543 -6.797
152 H TRP 18 H TRP 18 -0.718 -4.761 -2.082
153 HA TRP 18 HA TRP 18 2.004 -4.141 -2.828
154 1HB TRP 18 1HB TRP 18 -0.356 -2.915 -3.182
155 2HB TRP 18 2HB TRP 18 0.161 -2.076 -1.713
156 HD1 TRP 18 HD TRP 18 0.352 -1.814 -5.325
157 HE1 TRP 18 1HE TRP 18 2.148 -0.183 -6.099
158 HE3 TRP 18 3HE TRP 18 2.943 -1.326 -0.938
159 HZ2 TRP 18 2HZ TRP 18 4.436 1.176 -4.961
160 HZ3 TRP 18 3HZ TRP 18 4.922 0.143 -0.822
161 HH2 TRP 18 HH TRP 18 5.680 1.397 -2.819
162 H LYS 19 H LYS 19 0.034 -3.863 0.159
163 HA LYS 19 HA LYS 19 1.585 -2.446 1.855
164 1HB LYS 19 1HB LYS 19 -0.482 -3.676 2.478
165 2HB LYS 19 2HB LYS 19 0.442 -5.198 2.478
166 1HG LYS 19 1HG LYS 19 1.858 -4.419 4.279
167 2HG LYS 19 2HG LYS 19 1.172 -2.779 4.179
168 1HD LYS 19 1HD LYS 19 -0.230 -3.490 5.826
169 2HD LYS 19 2HD LYS 19 -1.092 -4.321 4.508
170 1HE LYS 19 1HE LYS 19 0.169 -6.363 4.898
171 2HE LYS 19 2HE LYS 19 1.200 -5.546 6.093
172 1HZ LYS 19 1HZ LYS 19 -0.335 -6.598 7.366
173 2HZ LYS 19 2HZ LYS 19 -1.019 -5.103 7.236
174 3HZ LYS 19 3HZ LYS 19 -1.585 -6.352 6.319
175 H MET 20 H MET 20 2.265 -5.802 0.782
176 HA MET 20 HA MET 20 4.323 -6.623 2.302
177 1HB MET 20 1HB MET 20 4.190 -8.079 0.577
178 2HB MET 20 2HB MET 20 3.661 -6.816 -0.560
179 1HG MET 20 1HG MET 20 6.326 -6.178 0.049
180 2HG MET 20 2HG MET 20 6.318 -7.941 -0.125
181 1HE MET 20 1HE MET 20 4.076 -5.329 -1.530
182 2HE MET 20 2HE MET 20 5.424 -4.477 -2.321
183 3HE MET 20 3HE MET 20 4.255 -5.396 -3.299
184 H ARG 21 H ARG 21 4.585 -4.079 -0.221
185 HA ARG 21 HA ARG 21 7.354 -3.529 0.655
186 1HB ARG 21 1HB ARG 21 5.635 -2.734 -1.701
187 2HB ARG 21 2HB ARG 21 7.116 -1.829 -1.306
188 1HG ARG 21 1HG ARG 21 8.504 -3.694 -1.675
189 2HG ARG 21 2HG ARG 21 7.164 -4.850 -1.483
190 1HD ARG 21 1HD ARG 21 6.236 -3.406 -3.588
191 2HD ARG 21 2HD ARG 21 7.985 -3.247 -3.861
192 HE ARG 21 HE ARG 21 6.372 -5.612 -4.242
193 1HH1 ARG 21 2HH2 ARG 21 9.571 -4.441 -3.297
194 2HH1 ARG 21 1HH2 ARG 21 10.402 -5.899 -3.790
195 1HH2 ARG 21 2HH1 ARG 21 7.470 -7.539 -4.894
196 2HH2 ARG 21 1HH1 ARG 21 9.203 -7.666 -4.700
197 H ARG 22 H ARG 22 4.145 -1.943 0.336
198 HA ARG 22 HA ARG 22 4.981 0.564 1.419
199 1HB ARG 22 1HB ARG 22 2.901 0.119 0.065
200 2HB ARG 22 2HB ARG 22 2.212 -0.692 1.492
201 1HG ARG 22 1HG ARG 22 1.473 1.367 2.095
202 2HG ARG 22 2HG ARG 22 3.164 1.698 2.540
203 1HD ARG 22 1HD ARG 22 1.777 2.318 -0.093
204 2HD ARG 22 2HD ARG 22 2.455 3.474 1.074
205 HE ARG 22 HE ARG 22 4.452 1.623 0.099
206 1HH1 ARG 22 2HH2 ARG 22 2.623 4.553 -0.660
207 2HH1 ARG 22 1HH2 ARG 22 3.838 5.196 -1.741
208 1HH2 ARG 22 2HH1 ARG 22 6.057 2.473 -1.330
209 2HH2 ARG 22 1HH1 ARG 22 5.796 4.010 -2.123
210 H ASN 23 H ASN 23 5.570 -2.122 2.898
211 HA ASN 23 HA ASN 23 4.963 -1.012 5.564
212 1HB ASN 23 1HB ASN 23 3.372 -3.015 4.470
213 2HB ASN 23 2HB ASN 23 4.551 -3.914 5.449
214 1HD2 ASN 23 1HD2 ASN 23 2.105 -1.311 5.512
215 2HD2 ASN 23 2HD2 ASN 23 1.789 -1.395 7.232
216 H GLN 24 H GLN 24 7.251 -1.737 3.518
217 HA GLN 24 HA GLN 24 9.190 -2.367 5.538
218 1HB GLN 24 1HB GLN 24 8.206 -4.561 3.707
219 2HB GLN 24 2HB GLN 24 9.888 -4.548 4.288
220 1HG GLN 24 1HG GLN 24 8.582 -4.047 6.618
221 2HG GLN 24 2HG GLN 24 7.349 -5.016 5.781
222 1HE2 GLN 24 1HE2 GLN 24 7.984 -7.157 4.948
223 2HE2 GLN 24 2HE2 GLN 24 9.243 -8.052 5.772
224 H PHE 25 H PHE 25 9.645 -3.799 2.388
225 HA PHE 25 HA PHE 25 11.913 -2.567 1.628
226 1HB PHE 25 1HB PHE 25 11.151 -4.114 0.102
227 2HB PHE 25 2HB PHE 25 9.501 -3.469 0.104
228 HD1 PHE 25 1HD PHE 25 9.388 -0.913 -0.802
229 HD2 PHE 25 2HD PHE 25 12.374 -3.823 -1.834
230 HE1 PHE 25 1HE PHE 25 9.866 0.322 -2.899
231 HE2 PHE 25 2HE PHE 25 12.853 -2.588 -3.930
232 HZ PHE 25 HZ PHE 25 11.599 -0.516 -4.463
233 H TRP 26 H TRP 26 8.655 -1.112 1.489
234 HA TRP 26 HA TRP 26 9.249 1.194 0.016
235 1HB TRP 26 1HB TRP 26 7.240 2.011 0.803
236 2HB TRP 26 2HB TRP 26 7.032 0.269 1.029
237 HD1 TRP 26 HD TRP 26 6.594 -0.594 3.406
238 HE1 TRP 26 1HE TRP 26 6.280 0.464 5.701
239 HE3 TRP 26 3HE TRP 26 8.142 4.162 2.319
240 HZ2 TRP 26 2HZ TRP 26 6.651 3.060 6.927
241 HZ3 TRP 26 3HZ TRP 26 8.147 5.897 4.074
242 HH2 TRP 26 HH TRP 26 7.407 5.364 6.377
243 H VAL 27 H VAL 27 9.657 0.533 3.520
244 HA VAL 27 HA VAL 27 10.302 2.917 4.597
245 HB VAL 27 HB VAL 27 11.852 1.769 6.057
246 1HG1 VAL 27 1HG1 VAL 27 10.337 -0.638 5.720
247 2HG1 VAL 27 2HG1 VAL 27 10.072 0.673 6.895
248 3HG1 VAL 27 3HG1 VAL 27 9.277 0.730 5.303
249 1HG2 VAL 27 1HG2 VAL 27 12.395 -0.707 5.316
250 2HG2 VAL 27 2HG2 VAL 27 12.094 -0.075 3.679
251 3HG2 VAL 27 3HG2 VAL 27 13.376 0.639 4.687
252 H LYS 28 H LYS 28 12.405 1.050 2.372
253 HA LYS 28 HA LYS 28 14.566 2.955 2.491
254 1HB LYS 28 1HB LYS 28 13.851 0.507 0.943
255 2HB LYS 28 2HB LYS 28 14.993 1.634 0.172
256 1HG LYS 28 1HG LYS 28 15.281 0.554 3.008
257 2HG LYS 28 2HG LYS 28 16.125 -0.107 1.587
258 1HD LYS 28 1HD LYS 28 17.728 1.454 1.862
259 2HD LYS 28 2HD LYS 28 16.516 2.713 1.529
260 1HE LYS 28 1HE LYS 28 17.176 3.358 3.650
261 2HE LYS 28 2HE LYS 28 15.850 2.252 4.068
262 1HZ LYS 28 1HZ LYS 28 18.140 2.017 5.166
263 2HZ LYS 28 2HZ LYS 28 17.297 0.669 4.729
264 3HZ LYS 28 3HZ LYS 28 18.542 1.203 3.790
265 H VAL 29 H VAL 29 11.742 2.423 0.370
266 HA VAL 29 HA VAL 29 12.326 4.076 -1.762
267 HB VAL 29 HB VAL 29 10.206 2.677 -1.198
268 1HG1 VAL 29 1HG1 VAL 29 8.654 5.016 -0.554
269 2HG1 VAL 29 2HG1 VAL 29 8.811 3.501 0.367
270 3HG1 VAL 29 3HG1 VAL 29 9.947 4.841 0.657
271 1HG2 VAL 29 1HG2 VAL 29 10.408 3.784 -3.321
272 2HG2 VAL 29 2HG2 VAL 29 8.817 4.242 -2.667
273 3HG2 VAL 29 3HG2 VAL 29 10.177 5.386 -2.581
274 H GLN 30 H GLN 30 12.082 4.945 1.561
275 HA GLN 30 HA GLN 30 11.548 7.783 0.930
276 1HB GLN 30 1HB GLN 30 10.832 7.962 3.082
277 2HB GLN 30 2HB GLN 30 10.720 6.188 2.991
278 1HG GLN 30 1HG GLN 30 13.088 6.053 3.815
279 2HG GLN 30 2HG GLN 30 13.074 7.817 4.027
280 1HE2 GLN 30 1HE2 GLN 30 13.590 6.154 6.199
281 2HE2 GLN 30 2HE2 GLN 30 12.239 6.206 7.311
282 H ARG 31 H ARG 31 14.052 5.633 2.334
283 HA ARG 31 HA ARG 31 16.190 6.229 3.089
284 1HB ARG 31 1HB ARG 31 16.493 5.404 0.832
285 2HB ARG 31 2HB ARG 31 16.064 6.990 0.147
286 1HG ARG 31 1HG ARG 31 18.463 6.866 0.116
287 2HG ARG 31 2HG ARG 31 18.035 7.950 1.461
288 1HD ARG 31 1HD ARG 31 18.323 4.999 1.990
289 2HD ARG 31 2HD ARG 31 19.789 5.987 1.809
290 HE ARG 31 HE ARG 31 17.959 5.965 4.055
291 1HH1 ARG 31 2HH2 ARG 31 20.202 7.944 2.169
292 2HH1 ARG 31 1HH2 ARG 31 20.564 9.034 3.488
293 1HH2 ARG 31 2HH1 ARG 31 18.438 7.406 5.797
294 2HH2 ARG 31 1HH1 ARG 31 19.558 8.727 5.557
295 H GLY 32 H GLY 32 15.772 7.918 4.606
296 1HA GLY 32 1HA GLY 32 16.673 10.559 3.611
297 2HA GLY 32 2HA GLY 32 15.139 10.461 4.506
Start of MODEL 14
1 HA PRO 1 HA PRO 1 -20.805 7.627 -4.647
2 1HB PRO 1 1HB PRO 1 -18.142 7.764 -5.210
3 2HB PRO 1 2HB PRO 1 -19.365 7.470 -6.489
4 1HG PRO 1 1HG PRO 1 -18.124 10.124 -5.706
5 2HG PRO 1 2HG PRO 1 -18.225 9.412 -7.350
6 1HD PRO 1 1HD PRO 1 -20.065 11.219 -6.469
7 2HD PRO 1 2HD PRO 1 -20.573 9.812 -7.452
8 HA PRO 2 HA PRO 2 -19.708 9.417 -0.725
9 1HB PRO 2 1HB PRO 2 -19.621 7.111 0.724
10 2HB PRO 2 2HB PRO 2 -21.162 7.764 0.077
11 1HG PRO 2 1HG PRO 2 -19.395 5.644 -1.176
12 2HG PRO 2 2HG PRO 2 -21.156 5.539 -0.850
13 1HD PRO 2 1HD PRO 2 -20.204 6.270 -3.298
14 2HD PRO 2 2HD PRO 2 -21.639 7.083 -2.602
15 H LEU 3 H LEU 3 -18.035 8.199 1.109
16 HA LEU 3 HA LEU 3 -15.485 7.957 -0.418
17 1HB LEU 3 1HB LEU 3 -16.066 9.218 2.289
18 2HB LEU 3 2HB LEU 3 -14.433 8.953 1.632
19 HG LEU 3 HG LEU 3 -15.775 10.185 -0.475
20 1HD1 LEU 3 1HD1 LEU 3 -16.521 12.318 0.987
21 2HD1 LEU 3 2HD1 LEU 3 -17.659 11.015 0.570
22 3HD1 LEU 3 3HD1 LEU 3 -16.887 11.043 2.174
23 1HD2 LEU 3 1HD2 LEU 3 -13.446 10.525 0.685
24 2HD2 LEU 3 2HD2 LEU 3 -14.206 11.903 -0.147
25 3HD2 LEU 3 3HD2 LEU 3 -14.292 11.776 1.627
26 H SER 4 H SER 4 -17.334 5.788 0.293
27 HA SER 4 HA SER 4 -15.493 4.279 2.081
28 1HB SER 4 1HB SER 4 -18.521 4.433 2.136
29 2HB SER 4 2HB SER 4 -17.625 3.069 2.848
30 HG SER 4 HG SER 4 -17.473 4.349 4.501
31 H GLN 5 H GLN 5 -15.963 4.609 -0.940
32 HA GLN 5 HA GLN 5 -15.947 1.718 -1.497
33 1HB GLN 5 1HB GLN 5 -17.611 1.921 -3.282
34 2HB GLN 5 2HB GLN 5 -18.323 2.419 -1.728
35 1HG GLN 5 1HG GLN 5 -19.003 4.162 -3.117
36 2HG GLN 5 2HG GLN 5 -17.492 4.817 -2.450
37 1HE2 GLN 5 1HE2 GLN 5 -16.792 6.097 -4.125
38 2HE2 GLN 5 2HE2 GLN 5 -16.425 5.496 -5.728
39 H GLU 6 H GLU 6 -15.757 5.073 -2.774
40 HA GLU 6 HA GLU 6 -14.541 4.753 -5.182
41 1HB GLU 6 1HB GLU 6 -13.027 6.768 -4.298
42 2HB GLU 6 2HB GLU 6 -14.770 6.970 -4.591
43 1HG GLU 6 1HG GLU 6 -15.251 7.159 -2.373
44 2HG GLU 6 2HG GLU 6 -14.073 5.912 -1.911
45 H THR 7 H THR 7 -12.831 4.629 -2.008
46 HA THR 7 HA THR 7 -10.470 3.517 -3.410
47 HB THR 7 HB THR 7 -10.164 3.850 -0.548
48 HG1 THR 7 1HG THR 7 -11.245 5.997 -2.049
49 1HG2 THR 7 1HG2 THR 7 -8.990 5.590 -2.732
50 2HG2 THR 7 2HG2 THR 7 -8.235 5.036 -1.218
51 3HG2 THR 7 3HG2 THR 7 -8.496 3.889 -2.554
52 H PHE 8 H PHE 8 -11.132 2.821 -0.039
53 HA PHE 8 HA PHE 8 -10.630 0.493 0.616
54 1HB PHE 8 1HB PHE 8 -13.616 0.665 0.226
55 2HB PHE 8 2HB PHE 8 -12.707 -0.047 1.570
56 HD1 PHE 8 1HD PHE 8 -12.794 3.320 -0.115
57 HD2 PHE 8 2HD PHE 8 -12.986 1.095 3.555
58 HE1 PHE 8 1HE PHE 8 -13.015 5.438 1.157
59 HE2 PHE 8 2HE PHE 8 -13.208 3.213 4.827
60 HZ PHE 8 HZ PHE 8 -13.223 5.384 3.628
61 H SER 9 H SER 9 -13.291 0.555 -1.830
62 HA SER 9 HA SER 9 -13.455 -2.022 -2.586
63 1HB SER 9 1HB SER 9 -14.497 0.084 -3.652
64 2HB SER 9 2HB SER 9 -13.054 0.116 -4.695
65 HG SER 9 HG SER 9 -14.229 -2.355 -4.452
66 H ASP 10 H ASP 10 -10.979 0.201 -3.995
67 HA ASP 10 HA ASP 10 -9.376 -2.218 -4.660
68 1HB ASP 10 1HB ASP 10 -9.982 0.309 -6.032
69 2HB ASP 10 2HB ASP 10 -8.244 -0.055 -5.978
70 H LEU 11 H LEU 11 -9.596 0.595 -2.658
71 HA LEU 11 HA LEU 11 -6.806 1.070 -2.246
72 1HB LEU 11 1HB LEU 11 -8.926 2.496 -1.647
73 2HB LEU 11 2HB LEU 11 -8.915 1.546 -0.142
74 HG LEU 11 HG LEU 11 -6.938 3.565 -1.149
75 1HD1 LEU 11 1HD1 LEU 11 -7.604 4.541 0.769
76 2HD1 LEU 11 2HD1 LEU 11 -8.675 3.157 1.093
77 3HD1 LEU 11 3HD1 LEU 11 -7.001 3.147 1.697
78 1HD2 LEU 11 1HD2 LEU 11 -5.531 1.595 -1.083
79 2HD2 LEU 11 2HD2 LEU 11 -5.213 2.534 0.396
80 3HD2 LEU 11 3HD2 LEU 11 -6.237 1.081 0.468
81 H TRP 12 H TRP 12 -9.150 -0.331 0.114
82 HA TRP 12 HA TRP 12 -7.272 -1.451 1.826
83 1HB TRP 12 1HB TRP 12 -9.134 -2.078 2.870
84 2HB TRP 12 2HB TRP 12 -10.056 -1.473 1.486
85 HD1 TRP 12 HD TRP 12 -11.655 -3.148 0.519
86 HE1 TRP 12 1HE TRP 12 -11.883 -5.681 0.393
87 HE3 TRP 12 3HE TRP 12 -7.299 -4.468 2.860
88 HZ2 TRP 12 2HZ TRP 12 -10.366 -8.008 1.206
89 HZ3 TRP 12 3HZ TRP 12 -6.726 -6.849 3.165
90 HH2 TRP 12 HH TRP 12 -8.244 -8.627 2.346
91 H LYS 13 H LYS 13 -8.557 -2.711 -1.248
92 HA LYS 13 HA LYS 13 -7.350 -5.315 -0.958
93 1HB LYS 13 1HB LYS 13 -9.306 -4.351 -2.521
94 2HB LYS 13 2HB LYS 13 -7.945 -4.152 -3.651
95 1HG LYS 13 1HG LYS 13 -7.520 -6.684 -2.552
96 2HG LYS 13 2HG LYS 13 -9.287 -6.604 -2.749
97 1HD LYS 13 1HD LYS 13 -7.361 -5.790 -4.954
98 2HD LYS 13 2HD LYS 13 -7.958 -7.456 -4.774
99 1HE LYS 13 1HE LYS 13 -9.489 -6.477 -6.279
100 2HE LYS 13 2HE LYS 13 -10.321 -6.385 -4.711
101 1HZ LYS 13 1HZ LYS 13 -9.791 -4.148 -4.533
102 2HZ LYS 13 2HZ LYS 13 -8.705 -4.189 -5.774
103 3HZ LYS 13 3HZ LYS 13 -10.318 -4.337 -6.085
104 H LEU 14 H LEU 14 -6.343 -2.164 -2.219
105 HA LEU 14 HA LEU 14 -4.136 -2.988 -3.772
106 1HB LEU 14 1HB LEU 14 -5.254 -0.550 -2.733
107 2HB LEU 14 2HB LEU 14 -3.497 -0.546 -2.443
108 HG LEU 14 HG LEU 14 -4.469 0.295 -4.761
109 1HD1 LEU 14 1HD1 LEU 14 -2.377 -0.349 -5.815
110 2HD1 LEU 14 2HD1 LEU 14 -2.055 -0.022 -4.096
111 3HD1 LEU 14 3HD1 LEU 14 -2.169 -1.701 -4.676
112 1HD2 LEU 14 1HD2 LEU 14 -5.393 -2.355 -4.739
113 2HD2 LEU 14 2HD2 LEU 14 -5.329 -1.270 -6.148
114 3HD2 LEU 14 3HD2 LEU 14 -3.982 -2.389 -5.824
115 H LEU 15 H LEU 15 -4.395 -2.195 -0.275
116 HA LEU 15 HA LEU 15 -1.607 -2.654 0.252
117 1HB LEU 15 1HB LEU 15 -3.969 -1.804 1.669
118 2HB LEU 15 2HB LEU 15 -3.160 -3.087 2.599
119 HG LEU 15 HG LEU 15 -0.969 -1.747 2.028
120 1HD1 LEU 15 1HD1 LEU 15 -1.281 0.164 0.875
121 2HD1 LEU 15 2HD1 LEU 15 -3.044 -0.081 0.898
122 3HD1 LEU 15 3HD1 LEU 15 -2.249 0.790 2.231
123 1HD2 LEU 15 1HD2 LEU 15 -1.174 -0.569 4.109
124 2HD2 LEU 15 2HD2 LEU 15 -2.947 -0.491 3.967
125 3HD2 LEU 15 3HD2 LEU 15 -2.147 -2.050 4.279
126 H LYS 16 H LYS 16 -4.122 -4.744 -0.597
127 HA LYS 16 HA LYS 16 -3.417 -6.973 1.113
128 1HB LYS 16 1HB LYS 16 -5.596 -6.335 -0.385
129 2HB LYS 16 2HB LYS 16 -4.771 -7.461 -1.489
130 1HG LYS 16 1HG LYS 16 -4.568 -9.079 0.444
131 2HG LYS 16 2HG LYS 16 -5.594 -7.980 1.397
132 1HD LYS 16 1HD LYS 16 -7.478 -8.362 0.051
133 2HD LYS 16 2HD LYS 16 -6.500 -8.907 -1.333
134 1HE LYS 16 1HE LYS 16 -6.618 -10.428 1.294
135 2HE LYS 16 2HE LYS 16 -7.755 -10.731 -0.038
136 1HZ LYS 16 1HZ LYS 16 -4.842 -11.041 -0.074
137 2HZ LYS 16 2HZ LYS 16 -5.985 -12.216 -0.247
138 3HZ LYS 16 3HZ LYS 16 -5.774 -11.090 -1.433
139 H LYS 17 H LYS 17 -1.468 -5.465 -0.887
140 HA LYS 17 HA LYS 17 0.103 -7.820 -1.458
141 1HB LYS 17 1HB LYS 17 -0.875 -8.276 -3.452
142 2HB LYS 17 2HB LYS 17 -1.670 -6.686 -3.535
143 1HG LYS 17 1HG LYS 17 1.304 -7.132 -4.026
144 2HG LYS 17 2HG LYS 17 0.083 -7.052 -5.318
145 1HD LYS 17 1HD LYS 17 -0.445 -4.806 -3.719
146 2HD LYS 17 2HD LYS 17 1.331 -4.883 -3.802
147 1HE LYS 17 1HE LYS 17 0.535 -3.580 -5.688
148 2HE LYS 17 2HE LYS 17 1.144 -5.135 -6.295
149 1HZ LYS 17 1HZ LYS 17 -1.334 -4.058 -6.680
150 2HZ LYS 17 2HZ LYS 17 -0.822 -5.568 -7.101
151 3HZ LYS 17 3HZ LYS 17 -1.569 -5.325 -5.651
152 H TRP 18 H TRP 18 -0.565 -4.353 -1.963
153 HA TRP 18 HA TRP 18 2.170 -3.704 -2.631
154 1HB TRP 18 1HB TRP 18 -0.188 -2.461 -2.963
155 2HB TRP 18 2HB TRP 18 0.316 -1.686 -1.454
156 HD1 TRP 18 HD TRP 18 0.573 -1.308 -5.063
157 HE1 TRP 18 1HE TRP 18 2.373 0.360 -5.745
158 HE3 TRP 18 3HE TRP 18 3.054 -0.931 -0.602
159 HZ2 TRP 18 2HZ TRP 18 4.622 1.701 -4.512
160 HZ3 TRP 18 3HZ TRP 18 5.017 0.550 -0.395
161 HH2 TRP 18 HH TRP 18 5.813 1.869 -2.335
162 H LYS 19 H LYS 19 0.151 -3.582 0.332
163 HA LYS 19 HA LYS 19 1.668 -2.239 2.120
164 1HB LYS 19 1HB LYS 19 -0.404 -3.502 2.649
165 2HB LYS 19 2HB LYS 19 0.523 -5.020 2.589
166 1HG LYS 19 1HG LYS 19 1.910 -4.328 4.448
167 2HG LYS 19 2HG LYS 19 1.220 -2.688 4.419
168 1HD LYS 19 1HD LYS 19 -0.037 -3.648 6.127
169 2HD LYS 19 2HD LYS 19 -1.071 -4.003 4.723
170 1HE LYS 19 1HE LYS 19 1.091 -5.934 5.593
171 2HE LYS 19 2HE LYS 19 -0.504 -5.940 6.376
172 1HZ LYS 19 1HZ LYS 19 -1.306 -6.011 3.955
173 2HZ LYS 19 2HZ LYS 19 0.202 -6.600 3.639
174 3HZ LYS 19 3HZ LYS 19 -0.790 -7.394 4.691
175 H MET 20 H MET 20 2.364 -5.558 0.936
176 HA MET 20 HA MET 20 4.423 -6.400 2.457
177 1HB MET 20 1HB MET 20 4.307 -7.845 0.726
178 2HB MET 20 2HB MET 20 3.732 -6.585 -0.392
179 1HG MET 20 1HG MET 20 6.405 -5.914 0.184
180 2HG MET 20 2HG MET 20 6.410 -7.672 -0.036
181 1HE MET 20 1HE MET 20 4.313 -5.029 -3.132
182 2HE MET 20 2HE MET 20 4.057 -5.093 -1.372
183 3HE MET 20 3HE MET 20 5.420 -4.163 -2.040
184 H ARG 21 H ARG 21 4.674 -3.835 -0.043
185 HA ARG 21 HA ARG 21 7.451 -3.299 0.806
186 1HB ARG 21 1HB ARG 21 5.689 -2.428 -1.494
187 2HB ARG 21 2HB ARG 21 7.197 -1.563 -1.111
188 1HG ARG 21 1HG ARG 21 8.540 -3.416 -1.600
189 2HG ARG 21 2HG ARG 21 7.216 -4.574 -1.332
190 1HD ARG 21 1HD ARG 21 6.143 -3.190 -3.376
191 2HD ARG 21 2HD ARG 21 7.860 -2.920 -3.744
192 HE ARG 21 HE ARG 21 7.672 -5.641 -3.259
193 1HH1 ARG 21 2HH2 ARG 21 6.114 -3.319 -5.422
194 2HH1 ARG 21 1HH2 ARG 21 5.843 -4.484 -6.699
195 1HH2 ARG 21 2HH1 ARG 21 7.313 -7.180 -4.945
196 2HH2 ARG 21 1HH1 ARG 21 6.526 -6.685 -6.427
197 H ARG 22 H ARG 22 4.234 -1.715 0.602
198 HA ARG 22 HA ARG 22 5.086 0.775 1.708
199 1HB ARG 22 1HB ARG 22 3.001 0.518 0.440
200 2HB ARG 22 2HB ARG 22 2.361 -0.582 1.684
201 1HG ARG 22 1HG ARG 22 1.686 1.944 1.777
202 2HG ARG 22 2HG ARG 22 2.176 1.137 3.286
203 1HD ARG 22 1HD ARG 22 3.239 3.421 2.836
204 2HD ARG 22 2HD ARG 22 4.361 2.094 3.205
205 HE ARG 22 HE ARG 22 5.280 2.351 1.110
206 1HH1 ARG 22 2HH2 ARG 22 2.017 3.712 1.156
207 2HH1 ARG 22 1HH2 ARG 22 2.110 4.343 -0.474
208 1HH2 ARG 22 2HH1 ARG 22 5.402 3.184 -1.042
209 2HH2 ARG 22 1HH1 ARG 22 4.040 4.041 -1.726
210 H ASN 23 H ASN 23 5.762 -1.919 3.118
211 HA ASN 23 HA ASN 23 5.214 -0.872 5.822
212 1HB ASN 23 1HB ASN 23 3.627 -2.878 4.745
213 2HB ASN 23 2HB ASN 23 4.863 -3.783 5.645
214 1HD2 ASN 23 1HD2 ASN 23 2.747 -0.877 6.006
215 2HD2 ASN 23 2HD2 ASN 23 2.363 -1.158 7.691
216 H GLN 24 H GLN 24 7.452 -1.517 3.688
217 HA GLN 24 HA GLN 24 9.471 -2.124 5.634
218 1HB GLN 24 1HB GLN 24 8.470 -4.325 3.820
219 2HB GLN 24 2HB GLN 24 10.171 -4.280 4.342
220 1HG GLN 24 1HG GLN 24 8.936 -3.824 6.720
221 2HG GLN 24 2HG GLN 24 7.697 -4.815 5.919
222 1HE2 GLN 24 1HE2 GLN 24 8.788 -6.759 4.611
223 2HE2 GLN 24 2HE2 GLN 24 9.926 -7.699 5.552
224 H PHE 25 H PHE 25 9.850 -3.523 2.460
225 HA PHE 25 HA PHE 25 12.064 -2.236 1.634
226 1HB PHE 25 1HB PHE 25 11.180 -3.851 0.190
227 2HB PHE 25 2HB PHE 25 9.595 -3.062 0.116
228 HD1 PHE 25 1HD PHE 25 9.749 -0.525 -0.841
229 HD2 PHE 25 2HD PHE 25 12.488 -3.718 -1.707
230 HE1 PHE 25 1HE PHE 25 10.411 0.613 -2.943
231 HE2 PHE 25 2HE PHE 25 13.151 -2.580 -3.808
232 HZ PHE 25 HZ PHE 25 12.112 -0.415 -4.426
233 H TRP 26 H TRP 26 8.758 -0.866 1.538
234 HA TRP 26 HA TRP 26 9.213 1.451 0.082
235 1HB TRP 26 1HB TRP 26 7.265 2.258 1.036
236 2HB TRP 26 2HB TRP 26 7.089 0.510 1.240
237 HD1 TRP 26 HD TRP 26 6.756 -0.384 3.610
238 HE1 TRP 26 1HE TRP 26 6.626 0.617 5.948
239 HE3 TRP 26 3HE TRP 26 8.362 4.358 2.547
240 HZ2 TRP 26 2HZ TRP 26 7.151 3.166 7.215
241 HZ3 TRP 26 3HZ TRP 26 8.533 6.042 4.343
242 HH2 TRP 26 HH TRP 26 7.933 5.464 6.676
243 H VAL 27 H VAL 27 9.913 0.814 3.541
244 HA VAL 27 HA VAL 27 10.614 3.271 4.489
245 HB VAL 27 HB VAL 27 12.139 2.153 5.977
246 1HG1 VAL 27 1HG1 VAL 27 10.598 -0.255 5.751
247 2HG1 VAL 27 2HG1 VAL 27 10.365 1.100 6.882
248 3HG1 VAL 27 3HG1 VAL 27 9.547 1.109 5.301
249 1HG2 VAL 27 1HG2 VAL 27 12.283 0.126 3.726
250 2HG2 VAL 27 2HG2 VAL 27 13.615 0.986 4.536
251 3HG2 VAL 27 3HG2 VAL 27 12.739 -0.305 5.392
252 H LYS 28 H LYS 28 12.632 1.182 2.372
253 HA LYS 28 HA LYS 28 14.881 2.922 2.306
254 1HB LYS 28 1HB LYS 28 13.821 0.743 0.490
255 2HB LYS 28 2HB LYS 28 15.296 1.655 0.090
256 1HG LYS 28 1HG LYS 28 16.498 0.441 1.562
257 2HG LYS 28 2HG LYS 28 15.366 0.848 2.873
258 1HD LYS 28 1HD LYS 28 13.822 -0.954 1.966
259 2HD LYS 28 2HD LYS 28 15.143 -1.438 0.875
260 1HE LYS 28 1HE LYS 28 15.445 -1.235 3.895
261 2HE LYS 28 2HE LYS 28 15.013 -2.740 3.054
262 1HZ LYS 28 1HZ LYS 28 17.088 -2.231 1.705
263 2HZ LYS 28 2HZ LYS 28 17.505 -1.237 2.954
264 3HZ LYS 28 3HZ LYS 28 17.265 -2.846 3.225
265 H VAL 29 H VAL 29 11.882 2.735 0.384
266 HA VAL 29 HA VAL 29 12.473 4.365 -1.760
267 HB VAL 29 HB VAL 29 9.958 4.302 -0.048
268 1HG1 VAL 29 1HG1 VAL 29 10.415 5.318 -2.887
269 2HG1 VAL 29 2HG1 VAL 29 8.839 5.194 -2.068
270 3HG1 VAL 29 3HG1 VAL 29 10.069 6.331 -1.465
271 1HG2 VAL 29 1HG2 VAL 29 10.568 2.930 -2.694
272 2HG2 VAL 29 2HG2 VAL 29 10.816 2.146 -1.116
273 3HG2 VAL 29 3HG2 VAL 29 9.183 2.648 -1.612
274 H GLN 30 H GLN 30 12.580 5.182 1.586
275 HA GLN 30 HA GLN 30 12.351 8.077 1.019
276 1HB GLN 30 1HB GLN 30 11.799 8.318 3.218
277 2HB GLN 30 2HB GLN 30 11.411 6.585 3.092
278 1HG GLN 30 1HG GLN 30 13.800 6.091 3.761
279 2HG GLN 30 2HG GLN 30 14.009 7.828 4.075
280 1HE2 GLN 30 1HE2 GLN 30 14.441 7.371 6.315
281 2HE2 GLN 30 2HE2 GLN 30 13.138 6.979 7.416
282 H ARG 31 H ARG 31 14.637 5.594 2.218
283 HA ARG 31 HA ARG 31 16.869 5.901 2.876
284 1HB ARG 31 1HB ARG 31 16.972 5.110 0.600
285 2HB ARG 31 2HB ARG 31 16.663 6.742 -0.039
286 1HG ARG 31 1HG ARG 31 19.072 6.170 -0.162
287 2HG ARG 31 2HG ARG 31 18.789 7.535 0.944
288 1HD ARG 31 1HD ARG 31 18.620 4.876 2.228
289 2HD ARG 31 2HD ARG 31 20.224 5.261 1.568
290 HE ARG 31 HE ARG 31 19.014 6.390 3.914
291 1HH1 ARG 31 2HH2 ARG 31 21.032 7.177 1.119
292 2HH1 ARG 31 1HH2 ARG 31 21.871 8.485 1.922
293 1HH2 ARG 31 2HH1 ARG 31 20.123 8.118 4.974
294 2HH2 ARG 31 1HH1 ARG 31 21.353 9.022 4.119
295 H GLY 32 H GLY 32 16.787 7.568 4.455
296 1HA GLY 32 1HA GLY 32 17.374 9.606 5.334
297 2HA GLY 32 2HA GLY 32 18.354 9.854 3.871
Start of MODEL 15
1 HA PRO 1 HA PRO 1 -15.297 7.641 4.616
2 1HB PRO 1 1HB PRO 1 -17.308 9.476 4.723
3 2HB PRO 1 2HB PRO 1 -16.645 8.712 6.205
4 1HG PRO 1 1HG PRO 1 -15.870 11.390 5.014
5 2HG PRO 1 2HG PRO 1 -16.365 11.054 6.705
6 1HD PRO 1 1HD PRO 1 -13.737 11.170 5.989
7 2HD PRO 1 2HD PRO 1 -14.306 9.936 7.155
8 HA PRO 2 HA PRO 2 -14.266 9.615 0.604
9 1HB PRO 2 1HB PRO 2 -13.908 7.295 -0.780
10 2HB PRO 2 2HB PRO 2 -12.667 7.921 0.355
11 1HG PRO 2 1HG PRO 2 -14.809 5.855 0.932
12 2HG PRO 2 2HG PRO 2 -13.047 5.707 1.231
13 1HD PRO 2 1HD PRO 2 -14.762 6.487 3.200
14 2HD PRO 2 2HD PRO 2 -13.157 7.261 3.037
15 H LEU 3 H LEU 3 -15.229 8.307 -1.681
16 HA LEU 3 HA LEU 3 -18.015 8.965 -1.548
17 1HB LEU 3 1HB LEU 3 -16.041 8.085 -3.561
18 2HB LEU 3 2HB LEU 3 -17.699 7.514 -3.869
19 HG LEU 3 HG LEU 3 -17.178 9.773 -4.881
20 1HD1 LEU 3 1HD1 LEU 3 -19.250 10.882 -3.856
21 2HD1 LEU 3 2HD1 LEU 3 -19.486 9.243 -4.511
22 3HD1 LEU 3 3HD1 LEU 3 -19.332 9.486 -2.754
23 1HD2 LEU 3 1HD2 LEU 3 -15.731 10.456 -2.887
24 2HD2 LEU 3 2HD2 LEU 3 -16.888 11.684 -3.454
25 3HD2 LEU 3 3HD2 LEU 3 -17.246 10.731 -1.995
26 H SER 4 H SER 4 -16.201 6.130 -0.780
27 HA SER 4 HA SER 4 -16.946 4.146 0.127
28 1HB SER 4 1HB SER 4 -19.808 4.741 -0.579
29 2HB SER 4 2HB SER 4 -19.137 3.920 0.851
30 HG SER 4 HG SER 4 -19.403 6.643 0.300
31 H GLN 5 H GLN 5 -16.364 2.457 -1.094
32 HA GLN 5 HA GLN 5 -16.733 0.742 -2.630
33 1HB GLN 5 1HB GLN 5 -19.178 1.737 -2.675
34 2HB GLN 5 2HB GLN 5 -18.645 2.442 -4.220
35 1HG GLN 5 1HG GLN 5 -17.706 -0.150 -4.405
36 2HG GLN 5 2HG GLN 5 -19.232 -0.368 -3.521
37 1HE2 GLN 5 1HE2 GLN 5 -18.826 -1.368 -6.141
38 2HE2 GLN 5 2HE2 GLN 5 -19.874 -0.495 -7.238
39 H GLU 6 H GLU 6 -16.592 4.147 -3.703
40 HA GLU 6 HA GLU 6 -15.530 3.828 -6.253
41 1HB GLU 6 1HB GLU 6 -16.052 5.933 -4.602
42 2HB GLU 6 2HB GLU 6 -14.272 5.931 -4.574
43 1HG GLU 6 1HG GLU 6 -14.784 7.278 -6.438
44 2HG GLU 6 2HG GLU 6 -14.446 5.688 -7.158
45 H THR 7 H THR 7 -13.773 3.922 -3.109
46 HA THR 7 HA THR 7 -11.300 3.122 -4.511
47 HB THR 7 HB THR 7 -11.144 3.307 -1.606
48 HG1 THR 7 1HG THR 7 -12.217 5.486 -3.077
49 1HG2 THR 7 1HG2 THR 7 -9.310 3.507 -3.356
50 2HG2 THR 7 2HG2 THR 7 -9.989 5.097 -3.781
51 3HG2 THR 7 3HG2 THR 7 -9.338 4.814 -2.148
52 H PHE 8 H PHE 8 -11.973 2.125 -1.212
53 HA PHE 8 HA PHE 8 -11.293 -0.120 -0.582
54 1HB PHE 8 1HB PHE 8 -14.158 -0.465 -1.446
55 2HB PHE 8 2HB PHE 8 -13.355 -1.041 0.025
56 HD1 PHE 8 1HD PHE 8 -13.713 2.334 -1.604
57 HD2 PHE 8 2HD PHE 8 -14.268 -0.070 1.913
58 HE1 PHE 8 1HE PHE 8 -14.538 4.323 -0.374
59 HE2 PHE 8 2HE PHE 8 -15.093 1.919 3.142
60 HZ PHE 8 HZ PHE 8 -15.228 4.116 1.999
61 H SER 9 H SER 9 -13.554 -0.398 -3.389
62 HA SER 9 HA SER 9 -13.118 -2.893 -4.266
63 1HB SER 9 1HB SER 9 -14.413 -1.064 -5.431
64 2HB SER 9 2HB SER 9 -12.874 -0.499 -6.123
65 HG SER 9 HG SER 9 -12.619 -2.577 -7.033
66 H ASP 10 H ASP 10 -10.930 -0.198 -5.273
67 HA ASP 10 HA ASP 10 -8.835 -2.245 -5.778
68 1HB ASP 10 1HB ASP 10 -7.776 -0.508 -7.146
69 2HB ASP 10 2HB ASP 10 -9.456 -0.770 -7.662
70 H LEU 11 H LEU 11 -9.822 0.309 -3.651
71 HA LEU 11 HA LEU 11 -7.243 1.155 -2.752
72 1HB LEU 11 1HB LEU 11 -9.719 2.097 -2.401
73 2HB LEU 11 2HB LEU 11 -9.608 1.129 -0.911
74 HG LEU 11 HG LEU 11 -7.954 3.499 -1.781
75 1HD1 LEU 11 1HD1 LEU 11 -9.884 2.838 0.260
76 2HD1 LEU 11 2HD1 LEU 11 -8.337 3.248 1.038
77 3HD1 LEU 11 3HD1 LEU 11 -9.109 4.406 -0.071
78 1HD2 LEU 11 1HD2 LEU 11 -7.090 1.202 0.014
79 2HD2 LEU 11 2HD2 LEU 11 -6.231 1.879 -1.391
80 3HD2 LEU 11 3HD2 LEU 11 -6.364 2.825 0.112
81 H TRP 12 H TRP 12 -9.655 -0.779 -0.894
82 HA TRP 12 HA TRP 12 -7.902 -1.762 1.019
83 1HB TRP 12 1HB TRP 12 -9.777 -2.746 1.701
84 2HB TRP 12 2HB TRP 12 -10.562 -2.172 0.223
85 HD1 TRP 12 HD TRP 12 -11.710 -3.984 -1.077
86 HE1 TRP 12 1HE TRP 12 -11.494 -6.501 -1.398
87 HE3 TRP 12 3HE TRP 12 -7.578 -4.816 1.827
88 HZ2 TRP 12 2HZ TRP 12 -9.745 -8.628 -0.506
89 HZ3 TRP 12 3HZ TRP 12 -6.668 -7.097 2.067
90 HH2 TRP 12 HH TRP 12 -7.737 -9.009 0.910
91 H LYS 13 H LYS 13 -8.522 -2.953 -2.287
92 HA LYS 13 HA LYS 13 -6.969 -5.354 -1.987
93 1HB LYS 13 1HB LYS 13 -8.726 -4.328 -3.857
94 2HB LYS 13 2HB LYS 13 -7.158 -4.194 -4.690
95 1HG LYS 13 1HG LYS 13 -7.882 -6.735 -3.221
96 2HG LYS 13 2HG LYS 13 -8.515 -6.440 -4.858
97 1HD LYS 13 1HD LYS 13 -5.592 -5.957 -4.398
98 2HD LYS 13 2HD LYS 13 -6.148 -7.647 -4.443
99 1HE LYS 13 1HE LYS 13 -7.344 -7.088 -6.611
100 2HE LYS 13 2HE LYS 13 -6.511 -5.518 -6.585
101 1HZ LYS 13 1HZ LYS 13 -4.486 -6.540 -6.836
102 2HZ LYS 13 2HZ LYS 13 -5.036 -8.031 -6.396
103 3HZ LYS 13 3HZ LYS 13 -5.461 -7.393 -7.856
104 H LEU 14 H LEU 14 -6.277 -1.993 -2.900
105 HA LEU 14 HA LEU 14 -3.716 -2.405 -4.039
106 1HB LEU 14 1HB LEU 14 -5.365 -0.190 -3.092
107 2HB LEU 14 2HB LEU 14 -3.645 0.065 -2.711
108 HG LEU 14 HG LEU 14 -4.694 0.721 -5.103
109 1HD1 LEU 14 1HD1 LEU 14 -2.217 0.649 -4.047
110 2HD1 LEU 14 2HD1 LEU 14 -2.034 -0.652 -5.247
111 3HD1 LEU 14 3HD1 LEU 14 -2.501 0.983 -5.772
112 1HD2 LEU 14 1HD2 LEU 14 -4.987 -0.998 -6.551
113 2HD2 LEU 14 2HD2 LEU 14 -3.481 -1.793 -6.034
114 3HD2 LEU 14 3HD2 LEU 14 -4.984 -2.050 -5.115
115 H LEU 15 H LEU 15 -4.733 -1.713 -0.656
116 HA LEU 15 HA LEU 15 -2.075 -1.732 0.399
117 1HB LEU 15 1HB LEU 15 -4.864 -1.709 1.423
118 2HB LEU 15 2HB LEU 15 -3.647 -2.403 2.522
119 HG LEU 15 HG LEU 15 -2.328 -0.400 2.474
120 1HD1 LEU 15 1HD1 LEU 15 -3.044 -0.150 -0.110
121 2HD1 LEU 15 2HD1 LEU 15 -4.177 1.028 0.596
122 3HD1 LEU 15 3HD1 LEU 15 -2.424 1.224 0.837
123 1HD2 LEU 15 1HD2 LEU 15 -4.718 -0.455 3.641
124 2HD2 LEU 15 2HD2 LEU 15 -3.762 1.046 3.599
125 3HD2 LEU 15 3HD2 LEU 15 -5.088 0.803 2.437
126 H LYS 16 H LYS 16 -4.026 -4.208 -0.879
127 HA LYS 16 HA LYS 16 -3.193 -6.338 0.896
128 1HB LYS 16 1HB LYS 16 -5.158 -6.007 -1.013
129 2HB LYS 16 2HB LYS 16 -3.989 -7.054 -1.853
130 1HG LYS 16 1HG LYS 16 -3.956 -8.429 0.356
131 2HG LYS 16 2HG LYS 16 -5.454 -7.554 0.753
132 1HD LYS 16 1HD LYS 16 -6.569 -8.401 -1.202
133 2HD LYS 16 2HD LYS 16 -5.048 -9.038 -1.871
134 1HE LYS 16 1HE LYS 16 -5.056 -10.876 -0.502
135 2HE LYS 16 2HE LYS 16 -5.795 -9.995 0.852
136 1HZ LYS 16 1HZ LYS 16 -7.701 -10.052 -1.053
137 2HZ LYS 16 2HZ LYS 16 -7.019 -11.549 -1.160
138 3HZ LYS 16 3HZ LYS 16 -7.627 -11.021 0.279
139 H LYS 17 H LYS 17 -1.266 -4.436 -0.759
140 HA LYS 17 HA LYS 17 0.784 -6.437 -1.079
141 1HB LYS 17 1HB LYS 17 0.241 -7.034 -3.194
142 2HB LYS 17 2HB LYS 17 -0.849 -5.643 -3.407
143 1HG LYS 17 1HG LYS 17 2.191 -5.449 -3.454
144 2HG LYS 17 2HG LYS 17 1.181 -5.597 -4.912
145 1HD LYS 17 1HD LYS 17 -0.028 -3.545 -3.419
146 2HD LYS 17 2HD LYS 17 1.719 -3.248 -3.257
147 1HE LYS 17 1HE LYS 17 1.220 -2.125 -5.247
148 2HE LYS 17 2HE LYS 17 1.770 -3.707 -5.840
149 1HZ LYS 17 1HZ LYS 17 -1.052 -3.212 -5.303
150 2HZ LYS 17 2HZ LYS 17 -0.375 -2.744 -6.732
151 3HZ LYS 17 3HZ LYS 17 -0.362 -4.334 -6.296
152 H TRP 18 H TRP 18 -0.446 -3.152 -1.734
153 HA TRP 18 HA TRP 18 2.193 -1.992 -1.970
154 1HB TRP 18 1HB TRP 18 -0.274 -1.219 -2.712
155 2HB TRP 18 2HB TRP 18 -0.168 -0.361 -1.169
156 HD1 TRP 18 HD TRP 18 0.717 -0.052 -4.722
157 HE1 TRP 18 1HE TRP 18 2.220 1.956 -5.159
158 HE3 TRP 18 3HE TRP 18 2.032 1.038 0.103
159 HZ2 TRP 18 2HZ TRP 18 3.807 3.817 -3.611
160 HZ3 TRP 18 3HZ TRP 18 3.539 2.932 0.581
161 HH2 TRP 18 HH TRP 18 4.433 4.328 -1.259
162 H LYS 19 H LYS 19 -0.180 -2.510 0.633
163 HA LYS 19 HA LYS 19 1.100 -0.835 2.562
164 1HB LYS 19 1HB LYS 19 -1.271 -2.125 2.438
165 2HB LYS 19 2HB LYS 19 -0.367 -3.274 3.453
166 1HG LYS 19 1HG LYS 19 -0.099 -0.365 4.111
167 2HG LYS 19 2HG LYS 19 -1.655 -1.142 4.487
168 1HD LYS 19 1HD LYS 19 0.067 -3.043 5.410
169 2HD LYS 19 2HD LYS 19 1.037 -1.576 5.689
170 1HE LYS 19 1HE LYS 19 -0.216 -1.075 7.486
171 2HE LYS 19 2HE LYS 19 -1.671 -1.026 6.467
172 1HZ LYS 19 1HZ LYS 19 -1.321 -2.737 8.418
173 2HZ LYS 19 2HZ LYS 19 -2.249 -3.059 7.094
174 3HZ LYS 19 3HZ LYS 19 -0.706 -3.634 7.178
175 H MET 20 H MET 20 1.603 -4.163 1.459
176 HA MET 20 HA MET 20 3.064 -5.228 3.572
177 1HB MET 20 1HB MET 20 2.491 -6.590 1.682
178 2HB MET 20 2HB MET 20 3.379 -5.526 0.565
179 1HG MET 20 1HG MET 20 5.257 -6.213 2.523
180 2HG MET 20 2HG MET 20 4.354 -7.712 2.245
181 1HE MET 20 1HE MET 20 5.051 -4.826 -0.395
182 2HE MET 20 2HE MET 20 6.458 -4.844 0.695
183 3HE MET 20 3HE MET 20 6.643 -5.337 -1.005
184 H ARG 21 H ARG 21 4.396 -3.444 0.727
185 HA ARG 21 HA ARG 21 7.015 -3.249 1.933
186 1HB ARG 21 1HB ARG 21 7.293 -1.563 -0.018
187 2HB ARG 21 2HB ARG 21 6.984 -3.268 -0.425
188 1HG ARG 21 1HG ARG 21 4.451 -1.973 -0.040
189 2HG ARG 21 2HG ARG 21 5.428 -0.958 -1.129
190 1HD ARG 21 1HD ARG 21 5.924 -3.581 -1.988
191 2HD ARG 21 2HD ARG 21 4.186 -3.563 -1.619
192 HE ARG 21 HE ARG 21 4.686 -1.232 -3.080
193 1HH1 ARG 21 2HH2 ARG 21 5.002 -4.725 -3.522
194 2HH1 ARG 21 1HH2 ARG 21 4.747 -4.667 -5.252
195 1HH2 ARG 21 2HH1 ARG 21 4.349 -1.155 -5.365
196 2HH2 ARG 21 1HH1 ARG 21 4.374 -2.632 -6.302
197 H ARG 22 H ARG 22 4.187 -1.089 1.547
198 HA ARG 22 HA ARG 22 5.363 1.285 2.497
199 1HB ARG 22 1HB ARG 22 3.115 1.074 1.427
200 2HB ARG 22 2HB ARG 22 2.512 0.306 2.915
201 1HG ARG 22 1HG ARG 22 3.889 2.679 3.700
202 2HG ARG 22 2HG ARG 22 2.832 3.117 2.336
203 1HD ARG 22 1HD ARG 22 1.708 3.285 4.581
204 2HD ARG 22 2HD ARG 22 0.897 2.176 3.453
205 HE ARG 22 HE ARG 22 2.526 0.477 4.791
206 1HH1 ARG 22 2HH2 ARG 22 0.353 3.045 5.880
207 2HH1 ARG 22 1HH2 ARG 22 -0.014 2.274 7.407
208 1HH2 ARG 22 2HH1 ARG 22 2.041 -0.540 6.808
209 2HH2 ARG 22 1HH1 ARG 22 0.949 0.230 7.936
210 H ASN 23 H ASN 23 5.670 -1.489 4.038
211 HA ASN 23 HA ASN 23 5.646 -0.181 6.689
212 1HB ASN 23 1HB ASN 23 3.575 -1.827 5.977
213 2HB ASN 23 2HB ASN 23 4.714 -2.991 6.687
214 1HD2 ASN 23 1HD2 ASN 23 3.538 -3.396 8.574
215 2HD2 ASN 23 2HD2 ASN 23 3.303 -2.189 9.820
216 H GLN 24 H GLN 24 7.481 -1.377 4.412
217 HA GLN 24 HA GLN 24 9.541 -2.258 6.212
218 1HB GLN 24 1HB GLN 24 7.984 -4.304 4.622
219 2HB GLN 24 2HB GLN 24 9.702 -4.562 5.009
220 1HG GLN 24 1HG GLN 24 8.801 -3.784 7.444
221 2HG GLN 24 2HG GLN 24 7.317 -4.523 6.805
222 1HE2 GLN 24 1HE2 GLN 24 9.185 -5.403 8.994
223 2HE2 GLN 24 2HE2 GLN 24 9.677 -7.024 8.552
224 H PHE 25 H PHE 25 9.310 -3.820 3.093
225 HA PHE 25 HA PHE 25 11.650 -2.998 2.011
226 1HB PHE 25 1HB PHE 25 10.432 -4.503 0.730
227 2HB PHE 25 2HB PHE 25 8.952 -3.531 0.802
228 HD1 PHE 25 1HD PHE 25 9.318 -1.052 -0.285
229 HD2 PHE 25 2HD PHE 25 11.463 -4.623 -1.330
230 HE1 PHE 25 1HE PHE 25 9.843 -0.086 -2.508
231 HE2 PHE 25 2HE PHE 25 11.988 -3.658 -3.553
232 HZ PHE 25 HZ PHE 25 11.178 -1.389 -4.142
233 H TRP 26 H TRP 26 8.665 -1.064 2.225
234 HA TRP 26 HA TRP 26 9.325 1.048 0.524
235 1HB TRP 26 1HB TRP 26 7.641 2.212 1.581
236 2HB TRP 26 2HB TRP 26 7.223 0.541 1.985
237 HD1 TRP 26 HD TRP 26 7.123 -0.112 4.466
238 HE1 TRP 26 1HE TRP 26 7.404 1.108 6.684
239 HE3 TRP 26 3HE TRP 26 9.113 4.272 2.729
240 HZ2 TRP 26 2HZ TRP 26 8.373 3.674 7.605
241 HZ3 TRP 26 3HZ TRP 26 9.701 6.078 4.304
242 HH2 TRP 26 HH TRP 26 9.339 5.796 6.739
243 H VAL 27 H VAL 27 10.216 0.554 3.972
244 HA VAL 27 HA VAL 27 11.423 2.841 4.704
245 HB VAL 27 HB VAL 27 13.007 1.534 5.988
246 1HG1 VAL 27 1HG1 VAL 27 11.069 -0.581 6.117
247 2HG1 VAL 27 2HG1 VAL 27 11.259 0.810 7.211
248 3HG1 VAL 27 3HG1 VAL 27 10.205 0.939 5.782
249 1HG2 VAL 27 1HG2 VAL 27 12.948 -1.057 5.379
250 2HG2 VAL 27 2HG2 VAL 27 12.547 -0.438 3.759
251 3HG2 VAL 27 3HG2 VAL 27 14.067 0.048 4.546
252 H LYS 28 H LYS 28 12.697 0.558 2.267
253 HA LYS 28 HA LYS 28 15.180 1.960 1.896
254 1HB LYS 28 1HB LYS 28 13.688 -0.280 0.635
255 2HB LYS 28 2HB LYS 28 14.803 0.603 -0.435
256 1HG LYS 28 1HG LYS 28 16.120 0.237 2.083
257 2HG LYS 28 2HG LYS 28 15.431 -1.332 1.600
258 1HD LYS 28 1HD LYS 28 17.472 -1.387 0.476
259 2HD LYS 28 2HD LYS 28 16.422 -0.675 -0.773
260 1HE LYS 28 1HE LYS 28 17.511 1.334 1.072
261 2HE LYS 28 2HE LYS 28 18.783 0.433 0.219
262 1HZ LYS 28 1HZ LYS 28 17.388 2.499 -0.767
263 2HZ LYS 28 2HZ LYS 28 18.264 1.420 -1.655
264 3HZ LYS 28 3HZ LYS 28 16.640 1.205 -1.465
265 H VAL 29 H VAL 29 11.964 2.042 0.330
266 HA VAL 29 HA VAL 29 12.558 3.644 -1.877
267 HB VAL 29 HB VAL 29 10.214 4.211 -1.881
268 1HG1 VAL 29 1HG1 VAL 29 9.212 1.923 -1.244
269 2HG1 VAL 29 2HG1 VAL 29 10.539 1.913 -2.430
270 3HG1 VAL 29 3HG1 VAL 29 10.857 1.473 -0.734
271 1HG2 VAL 29 1HG2 VAL 29 9.402 3.085 0.666
272 2HG2 VAL 29 2HG2 VAL 29 10.596 4.380 0.927
273 3HG2 VAL 29 3HG2 VAL 29 9.104 4.715 0.016
274 H GLN 30 H GLN 30 12.919 4.382 1.439
275 HA GLN 30 HA GLN 30 12.653 7.295 0.977
276 1HB GLN 30 1HB GLN 30 12.368 7.496 3.248
277 2HB GLN 30 2HB GLN 30 11.813 5.816 3.057
278 1HG GLN 30 1HG GLN 30 14.456 5.356 3.318
279 2HG GLN 30 2HG GLN 30 14.353 6.876 4.232
280 1HE2 GLN 30 1HE2 GLN 30 15.096 4.612 5.590
281 2HE2 GLN 30 2HE2 GLN 30 13.798 4.073 6.635
282 H ARG 31 H ARG 31 14.999 4.714 1.405
283 HA ARG 31 HA ARG 31 17.274 5.624 2.350
284 1HB ARG 31 1HB ARG 31 16.882 3.649 0.738
285 2HB ARG 31 2HB ARG 31 17.263 4.800 -0.566
286 1HG ARG 31 1HG ARG 31 19.088 4.494 1.834
287 2HG ARG 31 2HG ARG 31 19.214 3.397 0.438
288 1HD ARG 31 1HD ARG 31 19.076 5.842 -0.805
289 2HD ARG 31 2HD ARG 31 19.950 6.260 0.685
290 HE ARG 31 HE ARG 31 21.035 3.882 -0.528
291 1HH1 ARG 31 2HH2 ARG 31 20.912 7.407 -0.773
292 2HH1 ARG 31 1HH2 ARG 31 22.468 7.543 -1.561
293 1HH2 ARG 31 2HH1 ARG 31 23.089 4.062 -1.570
294 2HH2 ARG 31 1HH1 ARG 31 23.709 5.636 -2.016
295 H GLY 32 H GLY 32 16.098 6.771 -0.867
296 1HA GLY 32 1HA GLY 32 16.322 9.402 -0.780
297 2HA GLY 32 2HA GLY 32 18.050 8.986 -0.739
Start of MODEL 16
1 HA PRO 1 HA PRO 1 -18.346 1.080 4.369
2 1HB PRO 1 1HB PRO 1 -17.673 2.371 6.672
3 2HB PRO 1 2HB PRO 1 -18.640 0.860 6.683
4 1HG PRO 1 1HG PRO 1 -15.644 1.127 7.059
5 2HG PRO 1 2HG PRO 1 -16.802 0.265 8.124
6 1HD PRO 1 1HD PRO 1 -15.376 -1.054 6.211
7 2HD PRO 1 2HD PRO 1 -17.090 -1.471 6.515
8 HA PRO 2 HA PRO 2 -14.479 3.107 2.765
9 1HB PRO 2 1HB PRO 2 -15.294 3.387 0.181
10 2HB PRO 2 2HB PRO 2 -14.670 1.829 0.811
11 1HG PRO 2 1HG PRO 2 -17.568 2.684 0.570
12 2HG PRO 2 2HG PRO 2 -16.825 1.172 -0.045
13 1HD PRO 2 1HD PRO 2 -18.106 1.250 2.359
14 2HD PRO 2 2HD PRO 2 -16.598 0.307 2.165
15 H LEU 3 H LEU 3 -14.882 5.128 0.890
16 HA LEU 3 HA LEU 3 -16.678 6.948 2.410
17 1HB LEU 3 1HB LEU 3 -14.123 7.353 2.130
18 2HB LEU 3 2HB LEU 3 -14.532 7.794 0.454
19 HG LEU 3 HG LEU 3 -16.207 8.991 2.629
20 1HD1 LEU 3 1HD1 LEU 3 -13.717 9.084 3.330
21 2HD1 LEU 3 2HD1 LEU 3 -13.497 10.168 1.935
22 3HD1 LEU 3 3HD1 LEU 3 -14.600 10.628 3.254
23 1HD2 LEU 3 1HD2 LEU 3 -16.746 10.415 0.954
24 2HD2 LEU 3 2HD2 LEU 3 -15.037 10.701 0.547
25 3HD2 LEU 3 3HD2 LEU 3 -15.890 9.293 -0.130
26 H SER 4 H SER 4 -15.387 6.801 -0.957
27 HA SER 4 HA SER 4 -18.191 7.184 -1.898
28 1HB SER 4 1HB SER 4 -15.895 8.876 -2.224
29 2HB SER 4 2HB SER 4 -16.316 8.188 -3.810
30 HG SER 4 HG SER 4 -17.538 10.128 -2.502
31 H GLN 5 H GLN 5 -15.685 5.047 -1.670
32 HA GLN 5 HA GLN 5 -15.487 2.976 -2.690
33 1HB GLN 5 1HB GLN 5 -17.169 2.238 -4.015
34 2HB GLN 5 2HB GLN 5 -17.939 3.801 -3.651
35 1HG GLN 5 1HG GLN 5 -16.486 4.685 -5.649
36 2HG GLN 5 2HG GLN 5 -16.371 2.969 -6.097
37 1HE2 GLN 5 1HE2 GLN 5 -18.440 5.793 -5.877
38 2HE2 GLN 5 2HE2 GLN 5 -19.839 5.096 -6.665
39 H GLU 6 H GLU 6 -15.123 6.053 -4.319
40 HA GLU 6 HA GLU 6 -13.865 5.647 -6.651
41 1HB GLU 6 1HB GLU 6 -13.703 7.587 -4.549
42 2HB GLU 6 2HB GLU 6 -12.054 7.274 -5.142
43 1HG GLU 6 1HG GLU 6 -12.721 7.730 -7.426
44 2HG GLU 6 2HG GLU 6 -14.431 7.834 -6.956
45 H THR 7 H THR 7 -11.839 5.669 -3.666
46 HA THR 7 HA THR 7 -9.926 3.901 -5.043
47 HB THR 7 HB THR 7 -9.262 4.590 -2.299
48 HG1 THR 7 1HG THR 7 -10.005 6.672 -4.081
49 1HG2 THR 7 1HG2 THR 7 -7.393 5.796 -3.621
50 2HG2 THR 7 2HG2 THR 7 -7.531 4.034 -3.831
51 3HG2 THR 7 3HG2 THR 7 -8.170 5.132 -5.078
52 H PHE 8 H PHE 8 -10.417 3.852 -1.551
53 HA PHE 8 HA PHE 8 -10.208 1.632 -0.513
54 1HB PHE 8 1HB PHE 8 -13.166 2.025 -0.878
55 2HB PHE 8 2HB PHE 8 -12.262 1.572 0.577
56 HD1 PHE 8 1HD PHE 8 -12.053 4.455 -1.834
57 HD2 PHE 8 2HD PHE 8 -12.496 3.161 2.238
58 HE1 PHE 8 1HE PHE 8 -12.072 6.819 -1.085
59 HE2 PHE 8 2HE PHE 8 -12.515 5.525 2.987
60 HZ PHE 8 HZ PHE 8 -12.304 7.354 1.325
61 H SER 9 H SER 9 -12.931 1.598 -2.891
62 HA SER 9 HA SER 9 -13.427 -1.019 -3.206
63 1HB SER 9 1HB SER 9 -14.268 0.931 -4.615
64 2HB SER 9 2HB SER 9 -12.809 0.726 -5.614
65 HG SER 9 HG SER 9 -13.484 -1.257 -6.212
66 H ASP 10 H ASP 10 -10.726 0.581 -4.998
67 HA ASP 10 HA ASP 10 -9.480 -2.103 -5.277
68 1HB ASP 10 1HB ASP 10 -8.349 -1.242 -7.178
69 2HB ASP 10 2HB ASP 10 -10.016 -0.641 -7.308
70 H LEU 11 H LEU 11 -9.255 0.966 -3.678
71 HA LEU 11 HA LEU 11 -6.424 1.032 -3.265
72 1HB LEU 11 1HB LEU 11 -8.328 2.837 -2.915
73 2HB LEU 11 2HB LEU 11 -8.383 2.150 -1.274
74 HG LEU 11 HG LEU 11 -5.998 3.393 -2.697
75 1HD1 LEU 11 1HD1 LEU 11 -7.872 4.132 -0.500
76 2HD1 LEU 11 2HD1 LEU 11 -6.154 4.492 -0.209
77 3HD1 LEU 11 3HD1 LEU 11 -6.976 5.172 -1.633
78 1HD2 LEU 11 1HD2 LEU 11 -6.164 1.657 -0.211
79 2HD2 LEU 11 2HD2 LEU 11 -5.082 1.479 -1.613
80 3HD2 LEU 11 3HD2 LEU 11 -4.837 2.817 -0.464
81 H TRP 12 H TRP 12 -8.979 0.390 -0.798
82 HA TRP 12 HA TRP 12 -7.312 -0.767 1.104
83 1HB TRP 12 1HB TRP 12 -9.252 -0.892 2.185
84 2HB TRP 12 2HB TRP 12 -10.063 -0.367 0.703
85 HD1 TRP 12 HD TRP 12 -11.934 -1.877 -0.008
86 HE1 TRP 12 1HE TRP 12 -12.581 -4.327 0.246
87 HE3 TRP 12 3HE TRP 12 -7.828 -3.533 2.559
88 HZ2 TRP 12 2HZ TRP 12 -11.461 -6.723 1.421
89 HZ3 TRP 12 3HZ TRP 12 -7.654 -5.902 3.228
90 HH2 TRP 12 HH TRP 12 -9.457 -7.506 2.668
91 H LYS 13 H LYS 13 -8.845 -2.238 -1.761
92 HA LYS 13 HA LYS 13 -8.104 -4.934 -1.082
93 1HB LYS 13 1HB LYS 13 -9.732 -3.692 -2.962
94 2HB LYS 13 2HB LYS 13 -8.393 -4.336 -3.942
95 1HG LYS 13 1HG LYS 13 -8.967 -6.376 -2.094
96 2HG LYS 13 2HG LYS 13 -10.561 -5.762 -2.597
97 1HD LYS 13 1HD LYS 13 -10.071 -6.141 -4.919
98 2HD LYS 13 2HD LYS 13 -8.352 -6.444 -4.574
99 1HE LYS 13 1HE LYS 13 -9.067 -8.627 -4.694
100 2HE LYS 13 2HE LYS 13 -9.413 -8.325 -2.978
101 1HZ LYS 13 1HZ LYS 13 -11.509 -7.566 -4.749
102 2HZ LYS 13 2HZ LYS 13 -11.180 -9.182 -4.770
103 3HZ LYS 13 3HZ LYS 13 -11.566 -8.437 -3.350
104 H LEU 14 H LEU 14 -6.548 -2.230 -2.759
105 HA LEU 14 HA LEU 14 -4.467 -3.780 -3.986
106 1HB LEU 14 1HB LEU 14 -5.129 -0.920 -3.533
107 2HB LEU 14 2HB LEU 14 -3.395 -1.288 -3.701
108 HG LEU 14 HG LEU 14 -5.160 -0.939 -5.806
109 1HD1 LEU 14 1HD1 LEU 14 -3.327 -2.070 -7.150
110 2HD1 LEU 14 2HD1 LEU 14 -2.756 -0.813 -6.026
111 3HD1 LEU 14 3HD1 LEU 14 -2.574 -2.533 -5.605
112 1HD2 LEU 14 1HD2 LEU 14 -5.903 -3.381 -4.862
113 2HD2 LEU 14 2HD2 LEU 14 -5.980 -2.934 -6.584
114 3HD2 LEU 14 3HD2 LEU 14 -4.593 -3.863 -5.967
115 H LEU 15 H LEU 15 -4.752 -1.957 -0.906
116 HA LEU 15 HA LEU 15 -2.067 -2.359 -0.064
117 1HB LEU 15 1HB LEU 15 -4.681 -1.682 1.271
118 2HB LEU 15 2HB LEU 15 -3.258 -2.063 2.269
119 HG LEU 15 HG LEU 15 -3.264 -0.003 0.025
120 1HD1 LEU 15 1HD1 LEU 15 -3.596 0.303 3.037
121 2HD1 LEU 15 2HD1 LEU 15 -3.217 1.648 1.935
122 3HD1 LEU 15 3HD1 LEU 15 -4.759 0.773 1.775
123 1HD2 LEU 15 1HD2 LEU 15 -1.206 -1.303 1.546
124 2HD2 LEU 15 2HD2 LEU 15 -1.035 0.002 0.348
125 3HD2 LEU 15 3HD2 LEU 15 -1.284 0.397 2.066
126 H LYS 16 H LYS 16 -4.671 -4.550 -0.460
127 HA LYS 16 HA LYS 16 -4.093 -6.352 1.694
128 1HB LYS 16 1HB LYS 16 -6.046 -6.090 -0.263
129 2HB LYS 16 2HB LYS 16 -5.168 -7.557 -0.760
130 1HG LYS 16 1HG LYS 16 -5.466 -8.542 1.451
131 2HG LYS 16 2HG LYS 16 -6.204 -7.041 2.059
132 1HD LYS 16 1HD LYS 16 -8.141 -7.318 0.701
133 2HD LYS 16 2HD LYS 16 -7.352 -8.553 -0.310
134 1HE LYS 16 1HE LYS 16 -7.314 -10.123 1.551
135 2HE LYS 16 2HE LYS 16 -7.943 -8.883 2.658
136 1HZ LYS 16 1HZ LYS 16 -9.989 -9.047 1.783
137 2HZ LYS 16 2HZ LYS 16 -9.476 -9.516 0.287
138 3HZ LYS 16 3HZ LYS 16 -9.491 -10.599 1.531
139 H LYS 17 H LYS 17 -1.904 -5.322 -0.322
140 HA LYS 17 HA LYS 17 -0.309 -7.706 -0.186
141 1HB LYS 17 1HB LYS 17 -0.338 -8.490 -2.349
142 2HB LYS 17 2HB LYS 17 -2.018 -7.912 -2.241
143 1HG LYS 17 1HG LYS 17 -1.026 -7.064 -4.302
144 2HG LYS 17 2HG LYS 17 -1.259 -5.705 -3.176
145 1HD LYS 17 1HD LYS 17 0.956 -5.276 -3.140
146 2HD LYS 17 2HD LYS 17 1.326 -6.970 -2.737
147 1HE LYS 17 1HE LYS 17 1.860 -7.473 -4.878
148 2HE LYS 17 2HE LYS 17 0.440 -6.619 -5.519
149 1HZ LYS 17 1HZ LYS 17 3.104 -5.769 -5.390
150 2HZ LYS 17 2HZ LYS 17 1.823 -5.076 -6.165
151 3HZ LYS 17 3HZ LYS 17 2.137 -4.699 -4.590
152 H TRP 18 H TRP 18 -0.944 -4.480 -1.542
153 HA TRP 18 HA TRP 18 1.809 -3.941 -2.203
154 1HB TRP 18 1HB TRP 18 -0.571 -2.821 -2.836
155 2HB TRP 18 2HB TRP 18 -0.056 -1.721 -1.549
156 HD1 TRP 18 HD TRP 18 0.069 -2.012 -5.119
157 HE1 TRP 18 1HE TRP 18 1.925 -0.627 -6.180
158 HE3 TRP 18 3HE TRP 18 2.865 -1.070 -0.937
159 HZ2 TRP 18 2HZ TRP 18 4.335 0.729 -5.327
160 HZ3 TRP 18 3HZ TRP 18 4.931 0.270 -1.100
161 HH2 TRP 18 HH TRP 18 5.678 1.174 -3.282
162 H LYS 19 H LYS 19 -0.347 -3.067 0.544
163 HA LYS 19 HA LYS 19 1.150 -1.418 2.058
164 1HB LYS 19 1HB LYS 19 -0.080 -2.146 3.862
165 2HB LYS 19 2HB LYS 19 -1.018 -2.912 2.557
166 1HG LYS 19 1HG LYS 19 -0.660 -4.711 4.016
167 2HG LYS 19 2HG LYS 19 0.688 -4.894 2.869
168 1HD LYS 19 1HD LYS 19 1.880 -3.236 4.620
169 2HD LYS 19 2HD LYS 19 0.713 -3.995 5.729
170 1HE LYS 19 1HE LYS 19 2.076 -5.893 3.916
171 2HE LYS 19 2HE LYS 19 3.166 -5.057 5.043
172 1HZ LYS 19 1HZ LYS 19 0.775 -6.609 5.738
173 2HZ LYS 19 2HZ LYS 19 2.345 -7.018 6.036
174 3HZ LYS 19 3HZ LYS 19 1.665 -5.734 6.817
175 H MET 20 H MET 20 1.782 -4.917 1.621
176 HA MET 20 HA MET 20 3.688 -5.522 3.421
177 1HB MET 20 1HB MET 20 3.530 -7.230 1.926
178 2HB MET 20 2HB MET 20 3.309 -6.133 0.542
179 1HG MET 20 1HG MET 20 5.902 -5.595 1.365
180 2HG MET 20 2HG MET 20 5.763 -7.342 1.626
181 1HE MET 20 1HE MET 20 5.142 -5.173 -2.411
182 2HE MET 20 2HE MET 20 3.799 -5.344 -1.255
183 3HE MET 20 3HE MET 20 5.247 -4.412 -0.805
184 H ARG 21 H ARG 21 4.251 -3.479 0.517
185 HA ARG 21 HA ARG 21 6.943 -2.818 1.554
186 1HB ARG 21 1HB ARG 21 5.518 -2.524 -1.094
187 2HB ARG 21 2HB ARG 21 6.965 -1.553 -0.732
188 1HG ARG 21 1HG ARG 21 8.364 -3.384 -0.739
189 2HG ARG 21 2HG ARG 21 7.105 -4.481 -0.123
190 1HD ARG 21 1HD ARG 21 6.879 -5.225 -2.240
191 2HD ARG 21 2HD ARG 21 6.128 -3.658 -2.611
192 HE ARG 21 HE ARG 21 8.794 -3.108 -2.844
193 1HH1 ARG 21 2HH2 ARG 21 6.696 -5.643 -4.136
194 2HH1 ARG 21 1HH2 ARG 21 7.621 -5.850 -5.606
195 1HH2 ARG 21 2HH1 ARG 21 10.017 -3.381 -4.786
196 2HH2 ARG 21 1HH1 ARG 21 9.515 -4.560 -5.976
197 H ARG 22 H ARG 22 3.836 -1.302 0.586
198 HA ARG 22 HA ARG 22 4.634 1.372 1.184
199 1HB ARG 22 1HB ARG 22 2.652 0.602 -0.212
200 2HB ARG 22 2HB ARG 22 1.827 0.218 1.317
201 1HG ARG 22 1HG ARG 22 1.126 2.385 1.222
202 2HG ARG 22 2HG ARG 22 2.759 2.755 1.825
203 1HD ARG 22 1HD ARG 22 1.754 2.804 -1.038
204 2HD ARG 22 2HD ARG 22 2.456 4.137 -0.097
205 HE ARG 22 HE ARG 22 4.225 1.835 -0.509
206 1HH1 ARG 22 2HH2 ARG 22 3.102 4.984 -1.659
207 2HH1 ARG 22 1HH2 ARG 22 4.544 5.309 -2.594
208 1HH2 ARG 22 2HH1 ARG 22 6.130 2.265 -1.744
209 2HH2 ARG 22 1HH1 ARG 22 6.270 3.759 -2.643
210 H ASN 23 H ASN 23 5.002 -0.956 3.248
211 HA ASN 23 HA ASN 23 4.180 0.706 5.551
212 1HB ASN 23 1HB ASN 23 2.664 -1.471 4.784
213 2HB ASN 23 2HB ASN 23 3.778 -2.183 5.971
214 1HD2 ASN 23 1HD2 ASN 23 1.100 0.023 5.445
215 2HD2 ASN 23 2HD2 ASN 23 0.788 0.384 7.130
216 H GLN 24 H GLN 24 6.639 -0.432 3.912
217 HA GLN 24 HA GLN 24 8.401 -0.541 6.171
218 1HB GLN 24 1HB GLN 24 7.542 -3.125 4.861
219 2HB GLN 24 2HB GLN 24 9.177 -2.955 5.543
220 1HG GLN 24 1HG GLN 24 7.696 -1.910 7.575
221 2HG GLN 24 2HG GLN 24 6.535 -3.081 6.914
222 1HE2 GLN 24 1HE2 GLN 24 7.071 -5.335 6.886
223 2HE2 GLN 24 2HE2 GLN 24 8.328 -5.977 7.922
224 H PHE 25 H PHE 25 9.093 -2.690 3.509
225 HA PHE 25 HA PHE 25 11.427 -1.673 2.655
226 1HB PHE 25 1HB PHE 25 10.625 -3.577 1.550
227 2HB PHE 25 2HB PHE 25 9.104 -2.792 1.093
228 HD1 PHE 25 1HD PHE 25 9.503 -0.569 -0.417
229 HD2 PHE 25 2HD PHE 25 12.148 -3.943 -0.145
230 HE1 PHE 25 1HE PHE 25 10.463 0.005 -2.630
231 HE2 PHE 25 2HE PHE 25 13.109 -3.368 -2.358
232 HZ PHE 25 HZ PHE 25 12.266 -1.394 -3.601
233 H TRP 26 H TRP 26 8.212 -0.330 1.817
234 HA TRP 26 HA TRP 26 8.914 1.561 -0.074
235 1HB TRP 26 1HB TRP 26 6.921 2.622 0.447
236 2HB TRP 26 2HB TRP 26 6.645 0.975 1.030
237 HD1 TRP 26 HD TRP 26 6.022 0.672 3.488
238 HE1 TRP 26 1HE TRP 26 5.703 2.197 5.503
239 HE3 TRP 26 3HE TRP 26 7.966 4.991 1.548
240 HZ2 TRP 26 2HZ TRP 26 6.224 4.958 6.199
241 HZ3 TRP 26 3HZ TRP 26 8.037 7.044 2.914
242 HH2 TRP 26 HH TRP 26 7.172 7.045 5.236
243 H VAL 27 H VAL 27 9.242 1.772 3.491
244 HA VAL 27 HA VAL 27 9.954 4.378 3.881
245 HB VAL 27 HB VAL 27 11.260 3.632 5.760
246 1HG1 VAL 27 1HG1 VAL 27 9.632 1.283 5.967
247 2HG1 VAL 27 2HG1 VAL 27 9.347 2.885 6.686
248 3HG1 VAL 27 3HG1 VAL 27 8.703 2.508 5.071
249 1HG2 VAL 27 1HG2 VAL 27 11.507 1.078 4.134
250 2HG2 VAL 27 2HG2 VAL 27 12.808 2.106 4.781
251 3HG2 VAL 27 3HG2 VAL 27 11.823 1.117 5.885
252 H LYS 28 H LYS 28 12.101 1.777 2.626
253 HA LYS 28 HA LYS 28 14.421 3.388 2.380
254 1HB LYS 28 1HB LYS 28 13.443 0.872 1.001
255 2HB LYS 28 2HB LYS 28 15.014 1.611 0.611
256 1HG LYS 28 1HG LYS 28 15.850 0.457 2.369
257 2HG LYS 28 2HG LYS 28 14.954 1.590 3.410
258 1HD LYS 28 1HD LYS 28 12.945 0.069 3.201
259 2HD LYS 28 2HD LYS 28 13.988 -1.098 2.354
260 1HE LYS 28 1HE LYS 28 15.009 -0.018 4.945
261 2HE LYS 28 2HE LYS 28 13.622 -1.126 5.036
262 1HZ LYS 28 1HZ LYS 28 15.341 -2.265 3.281
263 2HZ LYS 28 2HZ LYS 28 16.319 -1.689 4.476
264 3HZ LYS 28 3HZ LYS 28 15.086 -2.720 4.845
265 H VAL 29 H VAL 29 11.598 2.883 0.275
266 HA VAL 29 HA VAL 29 12.523 3.922 -2.128
267 HB VAL 29 HB VAL 29 9.824 4.311 -0.776
268 1HG1 VAL 29 1HG1 VAL 29 9.796 5.871 -2.527
269 2HG1 VAL 29 2HG1 VAL 29 10.874 4.891 -3.549
270 3HG1 VAL 29 3HG1 VAL 29 9.176 4.406 -3.326
271 1HG2 VAL 29 1HG2 VAL 29 10.689 2.305 -2.895
272 2HG2 VAL 29 2HG2 VAL 29 10.694 1.944 -1.152
273 3HG2 VAL 29 3HG2 VAL 29 9.164 2.330 -1.976
274 H GLN 30 H GLN 30 12.350 5.483 0.921
275 HA GLN 30 HA GLN 30 12.352 8.169 -0.350
276 1HB GLN 30 1HB GLN 30 11.596 9.017 1.675
277 2HB GLN 30 2HB GLN 30 10.846 7.402 1.687
278 1HG GLN 30 1HG GLN 30 13.303 6.852 2.771
279 2HG GLN 30 2HG GLN 30 13.033 8.504 3.367
280 1HE2 GLN 30 1HE2 GLN 30 10.137 8.358 3.461
281 2HE2 GLN 30 2HE2 GLN 30 9.714 7.301 4.791
282 H ARG 31 H ARG 31 14.315 5.782 1.299
283 HA ARG 31 HA ARG 31 16.333 6.869 2.574
284 1HB ARG 31 1HB ARG 31 16.246 4.574 1.425
285 2HB ARG 31 2HB ARG 31 16.981 5.375 0.015
286 1HG ARG 31 1HG ARG 31 18.279 5.966 2.623
287 2HG ARG 31 2HG ARG 31 18.417 4.278 2.074
288 1HD ARG 31 1HD ARG 31 19.622 4.848 0.177
289 2HD ARG 31 2HD ARG 31 18.908 6.473 0.082
290 HE ARG 31 HE ARG 31 20.399 6.486 2.424
291 1HH1 ARG 31 2HH2 ARG 31 20.997 5.846 -1.001
292 2HH1 ARG 31 1HH2 ARG 31 22.655 6.403 -0.957
293 1HH2 ARG 31 2HH1 ARG 31 22.589 7.221 2.483
294 2HH2 ARG 31 1HH1 ARG 31 23.562 7.186 1.030
295 H GLY 32 H GLY 32 16.897 8.997 2.476
296 1HA GLY 32 1HA GLY 32 18.163 9.892 -0.062
297 2HA GLY 32 2HA GLY 32 16.962 10.921 0.752
Start of MODEL 17
1 HA PRO 1 HA PRO 1 -21.908 4.238 -3.599
2 1HB PRO 1 1HB PRO 1 -19.244 4.412 -4.144
3 2HB PRO 1 2HB PRO 1 -20.360 3.458 -5.175
4 1HG PRO 1 1HG PRO 1 -19.426 6.308 -5.623
5 2HG PRO 1 2HG PRO 1 -19.365 4.947 -6.790
6 1HD PRO 1 1HD PRO 1 -21.418 6.740 -6.804
7 2HD PRO 1 2HD PRO 1 -21.732 4.999 -7.075
8 HA PRO 2 HA PRO 2 -21.010 7.424 -0.681
9 1HB PRO 2 1HB PRO 2 -19.970 5.951 1.362
10 2HB PRO 2 2HB PRO 2 -21.682 5.784 0.851
11 1HG PRO 2 1HG PRO 2 -19.333 4.067 -0.003
12 2HG PRO 2 2HG PRO 2 -20.900 3.510 0.668
13 1HD PRO 2 1HD PRO 2 -20.454 3.594 -2.019
14 2HD PRO 2 2HD PRO 2 -22.040 4.079 -1.348
15 H LEU 3 H LEU 3 -18.889 7.569 1.084
16 HA LEU 3 HA LEU 3 -16.688 8.177 -0.758
17 1HB LEU 3 1HB LEU 3 -17.324 8.776 2.139
18 2HB LEU 3 2HB LEU 3 -15.699 9.067 1.473
19 HG LEU 3 HG LEU 3 -16.964 10.309 -0.448
20 1HD1 LEU 3 1HD1 LEU 3 -19.068 10.093 1.736
21 2HD1 LEU 3 2HD1 LEU 3 -19.095 11.379 0.506
22 3HD1 LEU 3 3HD1 LEU 3 -19.225 9.674 0.013
23 1HD2 LEU 3 1HD2 LEU 3 -16.364 11.170 2.352
24 2HD2 LEU 3 2HD2 LEU 3 -15.712 11.772 0.809
25 3HD2 LEU 3 3HD2 LEU 3 -17.323 12.294 1.358
26 H SER 4 H SER 4 -17.692 5.616 1.303
27 HA SER 4 HA SER 4 -14.959 4.687 1.849
28 1HB SER 4 1HB SER 4 -16.046 2.939 3.117
29 2HB SER 4 2HB SER 4 -16.849 4.479 3.503
30 HG SER 4 HG SER 4 -18.611 3.665 2.748
31 H GLN 5 H GLN 5 -16.292 4.949 -0.941
32 HA GLN 5 HA GLN 5 -15.764 2.133 -1.772
33 1HB GLN 5 1HB GLN 5 -18.168 3.198 -1.978
34 2HB GLN 5 2HB GLN 5 -17.460 4.031 -3.383
35 1HG GLN 5 1HG GLN 5 -17.036 2.025 -4.523
36 2HG GLN 5 2HG GLN 5 -17.078 1.056 -3.034
37 1HE2 GLN 5 1HE2 GLN 5 -18.625 1.095 -5.750
38 2HE2 GLN 5 2HE2 GLN 5 -20.298 0.956 -5.256
39 H GLU 6 H GLU 6 -15.718 5.577 -2.846
40 HA GLU 6 HA GLU 6 -14.395 5.600 -5.152
41 1HB GLU 6 1HB GLU 6 -14.783 7.632 -3.870
42 2HB GLU 6 2HB GLU 6 -13.567 7.146 -2.665
43 1HG GLU 6 1HG GLU 6 -12.139 6.947 -5.011
44 2HG GLU 6 2HG GLU 6 -13.209 8.323 -5.359
45 H THR 7 H THR 7 -12.437 5.453 -2.118
46 HA THR 7 HA THR 7 -10.282 4.166 -3.673
47 HB THR 7 HB THR 7 -9.742 4.577 -0.845
48 HG1 THR 7 1HG THR 7 -10.631 6.443 -0.591
49 1HG2 THR 7 1HG2 THR 7 -8.020 6.156 -1.955
50 2HG2 THR 7 2HG2 THR 7 -7.937 4.431 -2.387
51 3HG2 THR 7 3HG2 THR 7 -8.691 5.594 -3.505
52 H PHE 8 H PHE 8 -10.874 3.619 -0.227
53 HA PHE 8 HA PHE 8 -10.337 1.293 0.483
54 1HB PHE 8 1HB PHE 8 -13.332 1.467 0.235
55 2HB PHE 8 2HB PHE 8 -12.350 0.867 1.582
56 HD1 PHE 8 1HD PHE 8 -12.462 4.100 -0.343
57 HD2 PHE 8 2HD PHE 8 -12.638 2.150 3.481
58 HE1 PHE 8 1HE PHE 8 -12.643 6.307 0.774
59 HE2 PHE 8 2HE PHE 8 -12.820 4.357 4.598
60 HZ PHE 8 HZ PHE 8 -12.822 6.435 3.244
61 H SER 9 H SER 9 -13.109 1.334 -1.838
62 HA SER 9 HA SER 9 -13.387 -1.249 -2.502
63 1HB SER 9 1HB SER 9 -14.398 0.825 -3.622
64 2HB SER 9 2HB SER 9 -12.967 0.820 -4.680
65 HG SER 9 HG SER 9 -15.031 -0.457 -5.219
66 H ASP 10 H ASP 10 -10.858 0.812 -4.057
67 HA ASP 10 HA ASP 10 -9.401 -1.692 -4.726
68 1HB ASP 10 1HB ASP 10 -8.204 -0.255 -6.362
69 2HB ASP 10 2HB ASP 10 -9.959 -0.286 -6.639
70 H LEU 11 H LEU 11 -9.379 1.190 -2.769
71 HA LEU 11 HA LEU 11 -6.566 1.423 -2.360
72 1HB LEU 11 1HB LEU 11 -8.591 3.004 -1.756
73 2HB LEU 11 2HB LEU 11 -8.585 2.091 -0.228
74 HG LEU 11 HG LEU 11 -6.314 3.707 -1.447
75 1HD1 LEU 11 1HD1 LEU 11 -6.544 4.401 1.186
76 2HD1 LEU 11 2HD1 LEU 11 -7.400 5.234 -0.134
77 3HD1 LEU 11 3HD1 LEU 11 -8.232 3.978 0.814
78 1HD2 LEU 11 1HD2 LEU 11 -6.248 1.872 0.987
79 2HD2 LEU 11 2HD2 LEU 11 -5.495 1.508 -0.584
80 3HD2 LEU 11 3HD2 LEU 11 -4.911 2.881 0.386
81 H TRP 12 H TRP 12 -9.009 0.229 0.014
82 HA TRP 12 HA TRP 12 -7.207 -1.021 1.729
83 1HB TRP 12 1HB TRP 12 -9.106 -1.450 2.804
84 2HB TRP 12 2HB TRP 12 -9.992 -0.810 1.412
85 HD1 TRP 12 HD TRP 12 -11.747 -2.372 0.539
86 HE1 TRP 12 1HE TRP 12 -12.175 -4.882 0.474
87 HE3 TRP 12 3HE TRP 12 -7.448 -3.983 2.801
88 HZ2 TRP 12 2HZ TRP 12 -10.823 -7.304 1.301
89 HZ3 TRP 12 3HZ TRP 12 -7.054 -6.394 3.145
90 HH2 TRP 12 HH TRP 12 -8.727 -8.064 2.403
91 H LYS 13 H LYS 13 -8.686 -2.227 -1.287
92 HA LYS 13 HA LYS 13 -7.717 -4.916 -0.991
93 1HB LYS 13 1HB LYS 13 -9.501 -3.627 -2.638
94 2HB LYS 13 2HB LYS 13 -8.117 -3.875 -3.731
95 1HG LYS 13 1HG LYS 13 -8.396 -6.278 -2.241
96 2HG LYS 13 2HG LYS 13 -10.037 -5.815 -2.750
97 1HD LYS 13 1HD LYS 13 -9.492 -6.773 -4.737
98 2HD LYS 13 2HD LYS 13 -8.541 -5.296 -5.023
99 1HE LYS 13 1HE LYS 13 -7.166 -7.304 -3.347
100 2HE LYS 13 2HE LYS 13 -7.523 -7.867 -4.994
101 1HZ LYS 13 1HZ LYS 13 -5.673 -6.789 -5.467
102 2HZ LYS 13 2HZ LYS 13 -6.597 -5.424 -5.422
103 3HZ LYS 13 3HZ LYS 13 -5.702 -5.856 -4.107
104 H LEU 14 H LEU 14 -6.377 -1.888 -2.221
105 HA LEU 14 HA LEU 14 -4.227 -3.039 -3.718
106 1HB LEU 14 1HB LEU 14 -5.143 -0.399 -2.852
107 2HB LEU 14 2HB LEU 14 -3.370 -0.546 -2.788
108 HG LEU 14 HG LEU 14 -4.563 0.158 -5.044
109 1HD1 LEU 14 1HD1 LEU 14 -2.683 -1.996 -5.703
110 2HD1 LEU 14 2HD1 LEU 14 -2.510 -0.236 -5.910
111 3HD1 LEU 14 3HD1 LEU 14 -2.109 -0.993 -4.349
112 1HD2 LEU 14 1HD2 LEU 14 -5.584 -2.485 -4.595
113 2HD2 LEU 14 2HD2 LEU 14 -5.872 -1.415 -5.988
114 3HD2 LEU 14 3HD2 LEU 14 -4.501 -2.550 -6.006
115 H LEU 15 H LEU 15 -4.509 -1.802 -0.351
116 HA LEU 15 HA LEU 15 -1.807 -2.240 0.376
117 1HB LEU 15 1HB LEU 15 -4.426 -1.966 1.837
118 2HB LEU 15 2HB LEU 15 -2.973 -2.470 2.734
119 HG LEU 15 HG LEU 15 -3.357 0.070 1.101
120 1HD1 LEU 15 1HD1 LEU 15 -4.253 0.124 3.393
121 2HD1 LEU 15 2HD1 LEU 15 -2.703 -0.480 4.028
122 3HD1 LEU 15 3HD1 LEU 15 -2.791 1.134 3.282
123 1HD2 LEU 15 1HD2 LEU 15 -0.908 0.349 2.234
124 2HD2 LEU 15 2HD2 LEU 15 -0.906 -1.409 1.954
125 3HD2 LEU 15 3HD2 LEU 15 -1.147 -0.291 0.590
126 H LYS 16 H LYS 16 -4.356 -4.448 -0.335
127 HA LYS 16 HA LYS 16 -3.453 -6.596 1.383
128 1HB LYS 16 1HB LYS 16 -5.713 -6.035 -0.163
129 2HB LYS 16 2HB LYS 16 -4.933 -7.391 -1.014
130 1HG LYS 16 1HG LYS 16 -4.680 -8.385 1.423
131 2HG LYS 16 2HG LYS 16 -6.009 -7.264 1.803
132 1HD LYS 16 1HD LYS 16 -7.449 -8.777 0.954
133 2HD LYS 16 2HD LYS 16 -6.713 -8.513 -0.645
134 1HE LYS 16 1HE LYS 16 -5.344 -10.335 1.326
135 2HE LYS 16 2HE LYS 16 -6.757 -10.934 0.431
136 1HZ LYS 16 1HZ LYS 16 -4.120 -10.344 -0.499
137 2HZ LYS 16 2HZ LYS 16 -5.239 -11.407 -1.081
138 3HZ LYS 16 3HZ LYS 16 -5.329 -9.811 -1.486
139 H LYS 17 H LYS 17 -1.674 -5.113 -0.761
140 HA LYS 17 HA LYS 17 -0.105 -7.452 -1.398
141 1HB LYS 17 1HB LYS 17 -1.158 -7.957 -3.334
142 2HB LYS 17 2HB LYS 17 -2.044 -6.413 -3.358
143 1HG LYS 17 1HG LYS 17 0.891 -6.756 -4.108
144 2HG LYS 17 2HG LYS 17 -0.451 -6.623 -5.270
145 1HD LYS 17 1HD LYS 17 -0.766 -4.468 -3.448
146 2HD LYS 17 2HD LYS 17 0.963 -4.516 -3.866
147 1HE LYS 17 1HE LYS 17 -0.332 -4.989 -6.298
148 2HE LYS 17 2HE LYS 17 -1.341 -3.755 -5.512
149 1HZ LYS 17 1HZ LYS 17 0.171 -2.284 -6.005
150 2HZ LYS 17 2HZ LYS 17 1.328 -3.101 -5.160
151 3HZ LYS 17 3HZ LYS 17 1.093 -3.424 -6.760
152 H TRP 18 H TRP 18 -0.800 -4.030 -1.421
153 HA TRP 18 HA TRP 18 1.900 -3.360 -2.391
154 1HB TRP 18 1HB TRP 18 -0.534 -2.160 -2.670
155 2HB TRP 18 2HB TRP 18 0.119 -1.266 -1.290
156 HD1 TRP 18 HD TRP 18 -0.022 -1.120 -4.894
157 HE1 TRP 18 1HE TRP 18 1.752 0.407 -5.897
158 HE3 TRP 18 3HE TRP 18 3.026 -0.634 -0.811
159 HZ2 TRP 18 2HZ TRP 18 4.201 1.690 -5.040
160 HZ3 TRP 18 3HZ TRP 18 5.067 0.746 -0.942
161 HH2 TRP 18 HH TRP 18 5.668 1.912 -3.044
162 H LYS 19 H LYS 19 -0.117 -3.119 0.569
163 HA LYS 19 HA LYS 19 1.488 -1.700 2.264
164 1HB LYS 19 1HB LYS 19 -0.726 -2.920 2.725
165 2HB LYS 19 2HB LYS 19 0.268 -4.352 3.084
166 1HG LYS 19 1HG LYS 19 1.420 -3.207 4.864
167 2HG LYS 19 2HG LYS 19 0.713 -1.642 4.395
168 1HD LYS 19 1HD LYS 19 -0.625 -2.318 6.220
169 2HD LYS 19 2HD LYS 19 -1.583 -2.813 4.804
170 1HE LYS 19 1HE LYS 19 -0.159 -5.053 5.068
171 2HE LYS 19 2HE LYS 19 -0.027 -4.494 6.750
172 1HZ LYS 19 1HZ LYS 19 -2.643 -4.438 5.541
173 2HZ LYS 19 2HZ LYS 19 -2.020 -5.923 5.894
174 3HZ LYS 19 3HZ LYS 19 -2.196 -4.799 7.087
175 H MET 20 H MET 20 1.816 -5.234 1.602
176 HA MET 20 HA MET 20 3.861 -6.010 3.149
177 1HB MET 20 1HB MET 20 4.803 -7.147 0.975
178 2HB MET 20 2HB MET 20 3.179 -7.579 1.562
179 1HG MET 20 1HG MET 20 2.357 -6.962 -0.426
180 2HG MET 20 2HG MET 20 2.806 -5.294 -0.034
181 1HE MET 20 1HE MET 20 4.855 -4.251 -2.715
182 2HE MET 20 2HE MET 20 3.183 -4.788 -3.010
183 3HE MET 20 3HE MET 20 3.610 -4.013 -1.465
184 H ARG 21 H ARG 21 4.221 -3.867 0.297
185 HA ARG 21 HA ARG 21 7.085 -3.521 0.916
186 1HB ARG 21 1HB ARG 21 5.258 -2.921 -1.387
187 2HB ARG 21 2HB ARG 21 6.716 -1.921 -1.185
188 1HG ARG 21 1HG ARG 21 8.024 -4.111 -0.962
189 2HG ARG 21 2HG ARG 21 6.550 -4.939 -1.517
190 1HD ARG 21 1HD ARG 21 8.252 -4.340 -3.332
191 2HD ARG 21 2HD ARG 21 6.582 -3.805 -3.617
192 HE ARG 21 HE ARG 21 8.293 -1.838 -2.282
193 1HH1 ARG 21 2HH2 ARG 21 7.067 -3.136 -5.333
194 2HH1 ARG 21 1HH2 ARG 21 7.366 -1.668 -6.236
195 1HH2 ARG 21 2HH1 ARG 21 8.689 0.101 -3.475
196 2HH2 ARG 21 1HH1 ARG 21 8.291 0.178 -5.176
197 H ARG 22 H ARG 22 4.061 -1.592 0.617
198 HA ARG 22 HA ARG 22 5.256 0.874 1.421
199 1HB ARG 22 1HB ARG 22 3.131 0.772 0.211
200 2HB ARG 22 2HB ARG 22 2.381 -0.115 1.560
201 1HG ARG 22 1HG ARG 22 2.032 2.475 1.409
202 2HG ARG 22 2HG ARG 22 2.435 1.757 2.987
203 1HD ARG 22 1HD ARG 22 3.778 3.829 2.339
204 2HD ARG 22 2HD ARG 22 4.732 2.403 2.800
205 HE ARG 22 HE ARG 22 5.624 2.373 0.678
206 1HH1 ARG 22 2HH2 ARG 22 2.566 4.148 0.661
207 2HH1 ARG 22 1HH2 ARG 22 2.700 4.634 -1.014
208 1HH2 ARG 22 2HH1 ARG 22 5.800 3.014 -1.536
209 2HH2 ARG 22 1HH1 ARG 22 4.543 3.987 -2.266
210 H ASN 23 H ASN 23 5.670 -1.675 3.121
211 HA ASN 23 HA ASN 23 5.317 -0.282 5.692
212 1HB ASN 23 1HB ASN 23 3.480 -2.228 4.845
213 2HB ASN 23 2HB ASN 23 4.578 -3.089 5.945
214 1HD2 ASN 23 1HD2 ASN 23 1.990 -2.834 6.750
215 2HD2 ASN 23 2HD2 ASN 23 1.850 -1.649 8.030
216 H GLN 24 H GLN 24 7.409 -1.405 3.647
217 HA GLN 24 HA GLN 24 9.324 -2.171 5.663
218 1HB GLN 24 1HB GLN 24 8.134 -4.268 3.830
219 2HB GLN 24 2HB GLN 24 9.780 -4.427 4.490
220 1HG GLN 24 1HG GLN 24 8.511 -3.806 6.768
221 2HG GLN 24 2HG GLN 24 7.131 -4.508 5.897
222 1HE2 GLN 24 1HE2 GLN 24 7.309 -6.719 5.089
223 2HE2 GLN 24 2HE2 GLN 24 8.386 -7.850 5.882
224 H PHE 25 H PHE 25 9.646 -3.708 2.567
225 HA PHE 25 HA PHE 25 11.998 -2.651 1.774
226 1HB PHE 25 1HB PHE 25 10.995 -4.298 0.417
227 2HB PHE 25 2HB PHE 25 9.532 -3.330 0.167
228 HD1 PHE 25 1HD PHE 25 10.066 -0.916 -0.951
229 HD2 PHE 25 2HD PHE 25 12.443 -4.469 -1.373
230 HE1 PHE 25 1HE PHE 25 11.010 -0.033 -3.068
231 HE2 PHE 25 2HE PHE 25 13.387 -3.586 -3.489
232 HZ PHE 25 HZ PHE 25 12.671 -1.368 -4.337
233 H TRP 26 H TRP 26 8.799 -1.084 1.284
234 HA TRP 26 HA TRP 26 9.467 1.099 -0.228
235 1HB TRP 26 1HB TRP 26 7.573 2.120 0.620
236 2HB TRP 26 2HB TRP 26 7.259 0.411 0.956
237 HD1 TRP 26 HD TRP 26 6.817 -0.262 3.379
238 HE1 TRP 26 1HE TRP 26 6.734 0.927 5.630
239 HE3 TRP 26 3HE TRP 26 8.819 4.238 1.989
240 HZ2 TRP 26 2HZ TRP 26 7.447 3.516 6.707
241 HZ3 TRP 26 3HZ TRP 26 9.101 6.038 3.652
242 HH2 TRP 26 HH TRP 26 8.422 5.695 6.010
243 H VAL 27 H VAL 27 10.063 0.662 3.282
244 HA VAL 27 HA VAL 27 10.948 3.130 4.051
245 HB VAL 27 HB VAL 27 12.360 2.002 5.658
246 1HG1 VAL 27 1HG1 VAL 27 10.588 -0.216 5.711
247 2HG1 VAL 27 2HG1 VAL 27 10.430 1.317 6.601
248 3HG1 VAL 27 3HG1 VAL 27 9.672 1.135 5.001
249 1HG2 VAL 27 1HG2 VAL 27 12.585 -0.598 5.260
250 2HG2 VAL 27 2HG2 VAL 27 12.339 -0.161 3.552
251 3HG2 VAL 27 3HG2 VAL 27 13.714 0.519 4.455
252 H LYS 28 H LYS 28 12.795 0.710 2.146
253 HA LYS 28 HA LYS 28 15.204 2.226 2.019
254 1HB LYS 28 1HB LYS 28 13.993 0.029 0.317
255 2HB LYS 28 2HB LYS 28 15.578 0.748 -0.052
256 1HG LYS 28 1HG LYS 28 14.877 -0.355 2.693
257 2HG LYS 28 2HG LYS 28 15.612 -1.354 1.417
258 1HD LYS 28 1HD LYS 28 17.605 -0.597 2.187
259 2HD LYS 28 2HD LYS 28 17.182 0.946 1.405
260 1HE LYS 28 1HE LYS 28 16.997 1.961 3.403
261 2HE LYS 28 2HE LYS 28 15.827 0.741 3.953
262 1HZ LYS 28 1HZ LYS 28 18.658 0.094 3.912
263 2HZ LYS 28 2HZ LYS 28 18.061 1.018 5.140
264 3HZ LYS 28 3HZ LYS 28 17.460 -0.495 4.879
265 H VAL 29 H VAL 29 12.235 2.168 0.047
266 HA VAL 29 HA VAL 29 13.017 3.550 -2.209
267 HB VAL 29 HB VAL 29 10.479 3.863 -0.560
268 1HG1 VAL 29 1HG1 VAL 29 10.045 5.568 -1.990
269 2HG1 VAL 29 2HG1 VAL 29 11.438 5.163 -3.021
270 3HG1 VAL 29 3HG1 VAL 29 9.889 4.314 -3.243
271 1HG2 VAL 29 1HG2 VAL 29 9.577 2.166 -2.000
272 2HG2 VAL 29 2HG2 VAL 29 10.992 2.236 -3.078
273 3HG2 VAL 29 3HG2 VAL 29 11.154 1.558 -1.439
274 H GLN 30 H GLN 30 13.160 4.622 1.060
275 HA GLN 30 HA GLN 30 13.218 7.471 0.255
276 1HB GLN 30 1HB GLN 30 12.647 7.947 2.411
277 2HB GLN 30 2HB GLN 30 12.092 6.255 2.414
278 1HG GLN 30 1HG GLN 30 14.404 5.589 3.193
279 2HG GLN 30 2HG GLN 30 14.780 7.316 3.368
280 1HE2 GLN 30 1HE2 GLN 30 15.135 6.917 5.657
281 2HE2 GLN 30 2HE2 GLN 30 13.770 6.787 6.746
282 H ARG 31 H ARG 31 15.223 4.887 1.714
283 HA ARG 31 HA ARG 31 17.460 5.045 2.421
284 1HB ARG 31 1HB ARG 31 17.475 4.042 0.203
285 2HB ARG 31 2HB ARG 31 17.450 5.649 -0.561
286 1HG ARG 31 1HG ARG 31 19.736 5.027 -0.615
287 2HG ARG 31 2HG ARG 31 19.617 6.106 0.796
288 1HD ARG 31 1HD ARG 31 19.381 3.078 0.965
289 2HD ARG 31 2HD ARG 31 20.908 3.956 1.197
290 HE ARG 31 HE ARG 31 18.687 3.758 3.068
291 1HH1 ARG 31 2HH2 ARG 31 21.454 5.682 1.998
292 2HH1 ARG 31 1HH2 ARG 31 21.676 6.472 3.543
293 1HH2 ARG 31 2HH1 ARG 31 18.981 4.801 5.109
294 2HH2 ARG 31 1HH1 ARG 31 20.266 5.970 5.316
295 H GLY 32 H GLY 32 17.307 6.944 3.803
296 1HA GLY 32 1HA GLY 32 19.156 8.997 3.008
297 2HA GLY 32 2HA GLY 32 17.484 9.602 3.005
Start of MODEL 18
1 HA PRO 1 HA PRO 1 -17.651 -1.371 3.281
2 1HB PRO 1 1HB PRO 1 -17.943 -0.020 5.629
3 2HB PRO 1 2HB PRO 1 -18.384 -1.752 5.473
4 1HG PRO 1 1HG PRO 1 -15.777 -0.606 6.512
5 2HG PRO 1 2HG PRO 1 -16.831 -1.815 7.315
6 1HD PRO 1 1HD PRO 1 -14.677 -2.573 5.826
7 2HD PRO 1 2HD PRO 1 -16.206 -3.499 5.746
8 HA PRO 2 HA PRO 2 -14.503 1.822 2.310
9 1HB PRO 2 1HB PRO 2 -15.335 2.287 -0.243
10 2HB PRO 2 2HB PRO 2 -14.375 0.834 0.189
11 1HG PRO 2 1HG PRO 2 -17.390 1.040 -0.054
12 2HG PRO 2 2HG PRO 2 -16.314 -0.160 -0.843
13 1HD PRO 2 1HD PRO 2 -17.603 -0.725 1.492
14 2HD PRO 2 2HD PRO 2 -15.917 -1.265 1.232
15 H LEU 3 H LEU 3 -15.342 3.951 0.719
16 HA LEU 3 HA LEU 3 -17.527 5.074 2.396
17 1HB LEU 3 1HB LEU 3 -15.130 6.081 2.305
18 2HB LEU 3 2HB LEU 3 -15.601 6.664 0.691
19 HG LEU 3 HG LEU 3 -16.182 8.439 2.166
20 1HD1 LEU 3 1HD1 LEU 3 -18.762 6.844 2.038
21 2HD1 LEU 3 2HD1 LEU 3 -18.542 8.605 1.903
22 3HD1 LEU 3 3HD1 LEU 3 -18.013 7.538 0.580
23 1HD2 LEU 3 1HD2 LEU 3 -17.771 6.612 3.967
24 2HD2 LEU 3 2HD2 LEU 3 -16.009 6.743 4.184
25 3HD2 LEU 3 3HD2 LEU 3 -17.034 8.191 4.329
26 H SER 4 H SER 4 -16.178 5.658 -0.902
27 HA SER 4 HA SER 4 -18.982 5.568 -1.911
28 1HB SER 4 1HB SER 4 -17.489 7.844 -1.733
29 2HB SER 4 2HB SER 4 -17.014 7.266 -3.348
30 HG SER 4 HG SER 4 -18.884 7.877 -4.026
31 H GLN 5 H GLN 5 -16.063 4.027 -1.857
32 HA GLN 5 HA GLN 5 -15.380 2.224 -3.140
33 1HB GLN 5 1HB GLN 5 -17.923 2.450 -4.003
34 2HB GLN 5 2HB GLN 5 -17.079 2.948 -5.489
35 1HG GLN 5 1HG GLN 5 -15.757 0.896 -5.477
36 2HG GLN 5 2HG GLN 5 -16.459 0.416 -3.916
37 1HE2 GLN 5 1HE2 GLN 5 -19.096 0.767 -4.094
38 2HE2 GLN 5 2HE2 GLN 5 -19.792 -0.136 -5.423
39 H GLU 6 H GLU 6 -15.721 5.500 -4.330
40 HA GLU 6 HA GLU 6 -14.370 5.713 -6.639
41 1HB GLU 6 1HB GLU 6 -14.423 7.285 -4.136
42 2HB GLU 6 2HB GLU 6 -13.007 7.597 -5.169
43 1HG GLU 6 1HG GLU 6 -14.481 8.000 -7.097
44 2HG GLU 6 2HG GLU 6 -15.907 7.635 -6.101
45 H THR 7 H THR 7 -12.460 5.789 -3.577
46 HA THR 7 HA THR 7 -10.155 4.730 -5.078
47 HB THR 7 HB THR 7 -9.777 5.175 -2.215
48 HG1 THR 7 1HG THR 7 -11.036 6.846 -2.099
49 1HG2 THR 7 1HG2 THR 7 -7.849 6.248 -2.971
50 2HG2 THR 7 2HG2 THR 7 -8.183 5.153 -4.334
51 3HG2 THR 7 3HG2 THR 7 -8.645 6.869 -4.437
52 H PHE 8 H PHE 8 -10.664 4.067 -1.655
53 HA PHE 8 HA PHE 8 -9.956 1.829 -0.924
54 1HB PHE 8 1HB PHE 8 -12.920 1.582 -1.359
55 2HB PHE 8 2HB PHE 8 -11.951 1.143 0.057
56 HD1 PHE 8 1HD PHE 8 -12.395 4.313 -1.923
57 HD2 PHE 8 2HD PHE 8 -12.564 2.380 1.910
58 HE1 PHE 8 1HE PHE 8 -12.971 6.477 -0.857
59 HE2 PHE 8 2HE PHE 8 -13.140 4.544 2.975
60 HZ PHE 8 HZ PHE 8 -13.344 6.593 1.592
61 H SER 9 H SER 9 -12.574 1.511 -3.397
62 HA SER 9 HA SER 9 -12.445 -1.074 -4.091
63 1HB SER 9 1HB SER 9 -13.695 0.819 -5.257
64 2HB SER 9 2HB SER 9 -12.216 1.088 -6.211
65 HG SER 9 HG SER 9 -12.358 -1.179 -6.768
66 H ASP 10 H ASP 10 -10.174 1.333 -5.545
67 HA ASP 10 HA ASP 10 -8.407 -0.886 -6.341
68 1HB ASP 10 1HB ASP 10 -9.070 1.676 -7.374
69 2HB ASP 10 2HB ASP 10 -7.361 1.748 -6.891
70 H LEU 11 H LEU 11 -8.531 1.922 -4.143
71 HA LEU 11 HA LEU 11 -5.830 1.875 -3.305
72 1HB LEU 11 1HB LEU 11 -8.274 3.204 -2.613
73 2HB LEU 11 2HB LEU 11 -7.532 2.590 -1.116
74 HG LEU 11 HG LEU 11 -5.360 3.617 -1.817
75 1HD1 LEU 11 1HD1 LEU 11 -5.118 4.171 -3.991
76 2HD1 LEU 11 2HD1 LEU 11 -6.857 3.934 -4.289
77 3HD1 LEU 11 3HD1 LEU 11 -6.258 5.511 -3.721
78 1HD2 LEU 11 1HD2 LEU 11 -6.363 6.084 -1.760
79 2HD2 LEU 11 2HD2 LEU 11 -7.877 5.217 -1.407
80 3HD2 LEU 11 3HD2 LEU 11 -6.469 5.023 -0.335
81 H TRP 12 H TRP 12 -8.584 0.799 -1.250
82 HA TRP 12 HA TRP 12 -7.235 -0.666 0.601
83 1HB TRP 12 1HB TRP 12 -9.900 -0.586 -0.480
84 2HB TRP 12 2HB TRP 12 -9.458 -2.267 -0.153
85 HD1 TRP 12 HD TRP 12 -11.233 0.325 1.437
86 HE1 TRP 12 1HE TRP 12 -11.196 0.214 3.982
87 HE3 TRP 12 3HE TRP 12 -7.280 -2.868 2.049
88 HZ2 TRP 12 2HZ TRP 12 -9.644 -1.098 6.042
89 HZ3 TRP 12 3HZ TRP 12 -6.553 -3.524 4.314
90 HH2 TRP 12 HH TRP 12 -7.720 -2.650 6.316
91 H LYS 13 H LYS 13 -8.570 -2.161 -2.407
92 HA LYS 13 HA LYS 13 -7.368 -4.653 -2.147
93 1HB LYS 13 1HB LYS 13 -8.985 -3.531 -3.966
94 2HB LYS 13 2HB LYS 13 -7.456 -3.401 -4.866
95 1HG LYS 13 1HG LYS 13 -7.693 -5.572 -5.438
96 2HG LYS 13 2HG LYS 13 -7.447 -5.990 -3.725
97 1HD LYS 13 1HD LYS 13 -10.060 -5.226 -3.659
98 2HD LYS 13 2HD LYS 13 -9.963 -5.860 -5.319
99 1HE LYS 13 1HE LYS 13 -9.306 -8.007 -4.590
100 2HE LYS 13 2HE LYS 13 -8.811 -7.412 -2.991
101 1HZ LYS 13 1HZ LYS 13 -10.787 -8.283 -2.484
102 2HZ LYS 13 2HZ LYS 13 -11.329 -6.790 -2.931
103 3HZ LYS 13 3HZ LYS 13 -11.441 -8.057 -3.981
104 H LEU 14 H LEU 14 -6.017 -1.638 -3.542
105 HA LEU 14 HA LEU 14 -3.583 -2.762 -4.466
106 1HB LEU 14 1HB LEU 14 -4.568 -0.018 -3.728
107 2HB LEU 14 2HB LEU 14 -2.827 -0.264 -4.002
108 HG LEU 14 HG LEU 14 -4.832 0.101 -5.966
109 1HD1 LEU 14 1HD1 LEU 14 -2.614 -0.918 -7.292
110 2HD1 LEU 14 2HD1 LEU 14 -2.827 0.776 -6.788
111 3HD1 LEU 14 3HD1 LEU 14 -1.927 -0.355 -5.749
112 1HD2 LEU 14 1HD2 LEU 14 -5.024 -1.930 -7.143
113 2HD2 LEU 14 2HD2 LEU 14 -3.642 -2.663 -6.294
114 3HD2 LEU 14 3HD2 LEU 14 -5.190 -2.439 -5.445
115 H LEU 15 H LEU 15 -4.463 -1.201 -1.345
116 HA LEU 15 HA LEU 15 -1.844 -1.569 -0.207
117 1HB LEU 15 1HB LEU 15 -4.567 -1.029 1.042
118 2HB LEU 15 2HB LEU 15 -3.016 -0.963 1.914
119 HG LEU 15 HG LEU 15 -3.987 0.809 -0.350
120 1HD1 LEU 15 1HD1 LEU 15 -4.010 2.455 1.233
121 2HD1 LEU 15 2HD1 LEU 15 -4.102 1.091 2.373
122 3HD1 LEU 15 3HD1 LEU 15 -2.532 1.853 2.022
123 1HD2 LEU 15 1HD2 LEU 15 -1.154 0.334 0.655
124 2HD2 LEU 15 2HD2 LEU 15 -1.757 0.180 -1.013
125 3HD2 LEU 15 3HD2 LEU 15 -1.637 1.786 -0.254
126 H LYS 16 H LYS 16 -4.404 -3.704 -0.924
127 HA LYS 16 HA LYS 16 -4.055 -5.482 1.343
128 1HB LYS 16 1HB LYS 16 -6.002 -5.109 -0.554
129 2HB LYS 16 2HB LYS 16 -5.183 -6.563 -1.171
130 1HG LYS 16 1HG LYS 16 -5.483 -7.706 0.950
131 2HG LYS 16 2HG LYS 16 -6.115 -6.226 1.709
132 1HD LYS 16 1HD LYS 16 -7.777 -6.460 -0.464
133 2HD LYS 16 2HD LYS 16 -7.464 -8.170 -0.082
134 1HE LYS 16 1HE LYS 16 -7.960 -7.514 2.372
135 2HE LYS 16 2HE LYS 16 -8.648 -6.021 1.698
136 1HZ LYS 16 1HZ LYS 16 -10.312 -7.160 0.711
137 2HZ LYS 16 2HZ LYS 16 -9.486 -8.586 0.627
138 3HZ LYS 16 3HZ LYS 16 -10.109 -8.077 2.067
139 H LYS 17 H LYS 17 -1.806 -4.609 -0.712
140 HA LYS 17 HA LYS 17 -0.389 -7.122 -0.547
141 1HB LYS 17 1HB LYS 17 -1.198 -7.966 -2.491
142 2HB LYS 17 2HB LYS 17 -1.836 -6.392 -3.022
143 1HG LYS 17 1HG LYS 17 1.121 -7.125 -3.040
144 2HG LYS 17 2HG LYS 17 0.051 -7.273 -4.455
145 1HD LYS 17 1HD LYS 17 -0.438 -4.687 -3.474
146 2HD LYS 17 2HD LYS 17 1.324 -4.892 -3.328
147 1HE LYS 17 1HE LYS 17 0.243 -5.959 -5.848
148 2HE LYS 17 2HE LYS 17 -0.050 -4.218 -5.652
149 1HZ LYS 17 1HZ LYS 17 2.005 -4.353 -6.614
150 2HZ LYS 17 2HZ LYS 17 2.377 -4.150 -5.020
151 3HZ LYS 17 3HZ LYS 17 2.493 -5.644 -5.710
152 H TRP 18 H TRP 18 -0.705 -3.829 -1.876
153 HA TRP 18 HA TRP 18 2.129 -3.518 -2.347
154 1HB TRP 18 1HB TRP 18 -0.068 -2.246 -3.225
155 2HB TRP 18 2HB TRP 18 0.346 -1.174 -1.880
156 HD1 TRP 18 HD TRP 18 0.978 -1.632 -5.425
157 HE1 TRP 18 1HE TRP 18 2.981 -0.290 -6.246
158 HE3 TRP 18 3HE TRP 18 3.065 -0.449 -0.903
159 HZ2 TRP 18 2HZ TRP 18 5.223 1.129 -5.090
160 HZ3 TRP 18 3HZ TRP 18 5.131 0.897 -0.804
161 HH2 TRP 18 HH TRP 18 6.220 1.691 -2.882
162 H LYS 19 H LYS 19 -0.166 -2.564 0.243
163 HA LYS 19 HA LYS 19 1.287 -0.950 1.852
164 1HB LYS 19 1HB LYS 19 -0.947 -1.891 2.391
165 2HB LYS 19 2HB LYS 19 -0.179 -3.444 2.797
166 1HG LYS 19 1HG LYS 19 1.330 -1.928 4.365
167 2HG LYS 19 2HG LYS 19 -0.045 -0.805 4.248
168 1HD LYS 19 1HD LYS 19 -0.533 -3.721 4.869
169 2HD LYS 19 2HD LYS 19 -0.009 -2.615 6.161
170 1HE LYS 19 1HE LYS 19 -2.181 -2.036 6.371
171 2HE LYS 19 2HE LYS 19 -1.994 -1.178 4.827
172 1HZ LYS 19 1HZ LYS 19 -2.394 -3.761 4.147
173 2HZ LYS 19 2HZ LYS 19 -3.436 -3.529 5.404
174 3HZ LYS 19 3HZ LYS 19 -3.509 -2.548 4.080
175 H MET 20 H MET 20 1.759 -4.498 1.549
176 HA MET 20 HA MET 20 3.556 -5.096 3.472
177 1HB MET 20 1HB MET 20 3.470 -6.914 2.138
178 2HB MET 20 2HB MET 20 3.116 -5.935 0.695
179 1HG MET 20 1HG MET 20 5.785 -5.341 1.397
180 2HG MET 20 2HG MET 20 5.630 -7.097 1.572
181 1HE MET 20 1HE MET 20 3.663 -4.733 -0.546
182 2HE MET 20 2HE MET 20 5.157 -4.081 -1.260
183 3HE MET 20 3HE MET 20 4.074 -5.098 -2.239
184 H ARG 21 H ARG 21 4.311 -3.255 0.483
185 HA ARG 21 HA ARG 21 7.042 -2.761 1.482
186 1HB ARG 21 1HB ARG 21 5.573 -2.293 -1.122
187 2HB ARG 21 2HB ARG 21 7.129 -1.496 -0.786
188 1HG ARG 21 1HG ARG 21 8.306 -3.511 -0.740
189 2HG ARG 21 2HG ARG 21 6.862 -4.463 -0.316
190 1HD ARG 21 1HD ARG 21 6.055 -3.527 -2.710
191 2HD ARG 21 2HD ARG 21 7.810 -3.501 -2.988
192 HE ARG 21 HE ARG 21 7.436 -5.989 -1.949
193 1HH1 ARG 21 2HH2 ARG 21 5.821 -4.167 -4.512
194 2HH1 ARG 21 1HH2 ARG 21 5.402 -5.586 -5.445
195 1HH2 ARG 21 2HH1 ARG 21 6.882 -7.864 -3.181
196 2HH2 ARG 21 1HH1 ARG 21 6.007 -7.694 -4.686
197 H ARG 22 H ARG 22 4.047 -0.990 0.582
198 HA ARG 22 HA ARG 22 5.056 1.603 1.192
199 1HB ARG 22 1HB ARG 22 3.031 1.140 -0.175
200 2HB ARG 22 2HB ARG 22 2.197 0.563 1.288
201 1HG ARG 22 1HG ARG 22 3.337 3.083 1.950
202 2HG ARG 22 2HG ARG 22 2.566 3.281 0.358
203 1HD ARG 22 1HD ARG 22 0.989 3.719 2.238
204 2HD ARG 22 2HD ARG 22 0.470 2.359 1.219
205 HE ARG 22 HE ARG 22 1.861 1.069 3.147
206 1HH1 ARG 22 2HH2 ARG 22 -0.577 3.626 3.286
207 2HH1 ARG 22 1HH2 ARG 22 -1.208 3.129 4.841
208 1HH2 ARG 22 2HH1 ARG 22 1.028 0.413 5.200
209 2HH2 ARG 22 1HH1 ARG 22 -0.292 1.297 5.932
210 H ASN 23 H ASN 23 5.300 -0.767 3.228
211 HA ASN 23 HA ASN 23 4.701 0.935 5.565
212 1HB ASN 23 1HB ASN 23 2.968 -1.105 4.811
213 2HB ASN 23 2HB ASN 23 4.011 -1.879 6.024
214 1HD2 ASN 23 1HD2 ASN 23 1.895 -1.941 7.239
215 2HD2 ASN 23 2HD2 ASN 23 1.477 -0.544 8.208
216 H GLN 24 H GLN 24 6.992 -0.402 3.858
217 HA GLN 24 HA GLN 24 8.771 -0.761 6.083
218 1HB GLN 24 1HB GLN 24 7.659 -3.194 4.676
219 2HB GLN 24 2HB GLN 24 9.307 -3.206 5.350
220 1HG GLN 24 1HG GLN 24 7.954 -2.123 7.442
221 2HG GLN 24 2HG GLN 24 6.668 -3.129 6.739
222 1HE2 GLN 24 1HE2 GLN 24 8.036 -3.483 9.318
223 2HE2 GLN 24 2HE2 GLN 24 8.807 -5.054 9.259
224 H PHE 25 H PHE 25 9.233 -2.854 3.333
225 HA PHE 25 HA PHE 25 11.639 -1.995 2.484
226 1HB PHE 25 1HB PHE 25 10.715 -3.801 1.328
227 2HB PHE 25 2HB PHE 25 9.222 -2.925 0.948
228 HD1 PHE 25 1HD PHE 25 9.685 -0.680 -0.509
229 HD2 PHE 25 2HD PHE 25 12.160 -4.189 -0.429
230 HE1 PHE 25 1HE PHE 25 10.600 -0.085 -2.736
231 HE2 PHE 25 2HE PHE 25 13.075 -3.595 -2.656
232 HZ PHE 25 HZ PHE 25 12.295 -1.543 -3.809
233 H TRP 26 H TRP 26 8.532 -0.363 1.811
234 HA TRP 26 HA TRP 26 9.354 1.511 -0.074
235 1HB TRP 26 1HB TRP 26 7.441 2.687 0.484
236 2HB TRP 26 2HB TRP 26 7.055 1.053 1.042
237 HD1 TRP 26 HD TRP 26 6.449 0.747 3.506
238 HE1 TRP 26 1HE TRP 26 6.251 2.256 5.548
239 HE3 TRP 26 3HE TRP 26 8.640 4.964 1.607
240 HZ2 TRP 26 2HZ TRP 26 6.954 4.967 6.279
241 HZ3 TRP 26 3HZ TRP 26 8.857 6.987 3.003
242 HH2 TRP 26 HH TRP 26 8.022 7.005 5.335
243 H VAL 27 H VAL 27 9.709 1.597 3.494
244 HA VAL 27 HA VAL 27 10.607 4.126 3.963
245 HB VAL 27 HB VAL 27 11.871 3.231 5.800
246 1HG1 VAL 27 1HG1 VAL 27 9.937 2.546 6.728
247 2HG1 VAL 27 2HG1 VAL 27 9.246 2.306 5.106
248 3HG1 VAL 27 3HG1 VAL 27 10.102 0.971 5.915
249 1HG2 VAL 27 1HG2 VAL 27 13.323 1.655 4.765
250 2HG2 VAL 27 2HG2 VAL 27 12.276 0.678 5.823
251 3HG2 VAL 27 3HG2 VAL 27 11.964 0.738 4.071
252 H LYS 28 H LYS 28 12.541 1.440 2.558
253 HA LYS 28 HA LYS 28 14.966 2.908 2.344
254 1HB LYS 28 1HB LYS 28 13.811 0.486 0.944
255 2HB LYS 28 2HB LYS 28 15.402 1.148 0.496
256 1HG LYS 28 1HG LYS 28 16.261 -0.058 2.204
257 2HG LYS 28 2HG LYS 28 15.439 1.076 3.303
258 1HD LYS 28 1HD LYS 28 13.665 -0.371 3.691
259 2HD LYS 28 2HD LYS 28 13.839 -1.176 2.113
260 1HE LYS 28 1HE LYS 28 15.782 -1.438 4.443
261 2HE LYS 28 2HE LYS 28 14.547 -2.637 4.003
262 1HZ LYS 28 1HZ LYS 28 15.807 -2.297 1.712
263 2HZ LYS 28 2HZ LYS 28 17.057 -2.053 2.760
264 3HZ LYS 28 3HZ LYS 28 16.199 -3.461 2.812
265 H VAL 29 H VAL 29 12.124 2.574 0.214
266 HA VAL 29 HA VAL 29 13.059 3.629 -2.156
267 HB VAL 29 HB VAL 29 10.424 4.175 -0.735
268 1HG1 VAL 29 1HG1 VAL 29 10.752 5.824 -2.493
269 2HG1 VAL 29 2HG1 VAL 29 11.302 4.567 -3.626
270 3HG1 VAL 29 3HG1 VAL 29 9.607 4.596 -3.084
271 1HG2 VAL 29 1HG2 VAL 29 9.599 2.289 -1.979
272 2HG2 VAL 29 2HG2 VAL 29 11.089 2.195 -2.948
273 3HG2 VAL 29 3HG2 VAL 29 11.122 1.767 -1.220
274 H GLN 30 H GLN 30 12.987 5.153 0.935
275 HA GLN 30 HA GLN 30 13.121 7.860 -0.253
276 1HB GLN 30 1HB GLN 30 12.426 8.627 1.778
277 2HB GLN 30 2HB GLN 30 11.866 6.950 1.985
278 1HG GLN 30 1HG GLN 30 14.126 6.408 2.980
279 2HG GLN 30 2HG GLN 30 14.498 8.145 2.935
280 1HE2 GLN 30 1HE2 GLN 30 14.674 7.184 5.377
281 2HE2 GLN 30 2HE2 GLN 30 13.266 7.541 6.353
282 H ARG 31 H ARG 31 15.023 5.509 1.667
283 HA ARG 31 HA ARG 31 17.216 5.754 2.466
284 1HB ARG 31 1HB ARG 31 17.415 4.470 0.436
285 2HB ARG 31 2HB ARG 31 17.327 5.938 -0.567
286 1HG ARG 31 1HG ARG 31 19.523 6.430 -0.239
287 2HG ARG 31 2HG ARG 31 19.446 6.023 1.492
288 1HD ARG 31 1HD ARG 31 19.755 3.705 1.074
289 2HD ARG 31 2HD ARG 31 19.379 3.882 -0.653
290 HE ARG 31 HE ARG 31 21.699 5.429 0.131
291 1HH1 ARG 31 2HH2 ARG 31 20.527 2.208 -0.738
292 2HH1 ARG 31 1HH2 ARG 31 22.078 1.652 -1.325
293 1HH2 ARG 31 2HH1 ARG 31 23.748 4.694 -0.644
294 2HH2 ARG 31 1HH1 ARG 31 23.915 3.070 -1.272
295 H GLY 32 H GLY 32 16.869 7.856 3.550
296 1HA GLY 32 1HA GLY 32 18.787 9.807 2.575
297 2HA GLY 32 2HA GLY 32 17.105 10.379 2.505
Start of MODEL 19
1 HA PRO 1 HA PRO 1 -10.786 10.285 2.939
2 1HB PRO 1 1HB PRO 1 -13.157 8.957 3.134
3 2HB PRO 1 2HB PRO 1 -12.240 9.472 4.587
4 1HG PRO 1 1HG PRO 1 -14.531 10.935 3.245
5 2HG PRO 1 2HG PRO 1 -14.383 10.504 4.980
6 1HD PRO 1 1HD PRO 1 -13.669 12.969 4.063
7 2HD PRO 1 2HD PRO 1 -12.686 12.146 5.311
8 HA PRO 2 HA PRO 2 -11.973 10.161 -1.299
9 1HB PRO 2 1HB PRO 2 -12.201 7.510 -1.887
10 2HB PRO 2 2HB PRO 2 -10.640 8.236 -1.382
11 1HG PRO 2 1HG PRO 2 -12.654 6.803 0.374
12 2HG PRO 2 2HG PRO 2 -10.896 6.470 0.239
13 1HD PRO 2 1HD PRO 2 -11.894 8.060 2.215
14 2HD PRO 2 2HD PRO 2 -10.359 8.484 1.398
15 H LEU 3 H LEU 3 -14.131 9.635 1.129
16 HA LEU 3 HA LEU 3 -16.434 9.989 1.030
17 1HB LEU 3 1HB LEU 3 -15.788 10.471 -1.587
18 2HB LEU 3 2HB LEU 3 -16.802 9.016 -1.746
19 HG LEU 3 HG LEU 3 -18.160 10.571 0.139
20 1HD1 LEU 3 1HD1 LEU 3 -16.747 12.509 -0.359
21 2HD1 LEU 3 2HD1 LEU 3 -17.047 12.311 -2.102
22 3HD1 LEU 3 3HD1 LEU 3 -18.379 12.779 -1.018
23 1HD2 LEU 3 1HD2 LEU 3 -19.409 11.163 -2.242
24 2HD2 LEU 3 2HD2 LEU 3 -18.442 9.738 -2.691
25 3HD2 LEU 3 3HD2 LEU 3 -19.609 9.636 -1.350
26 H SER 4 H SER 4 -14.553 7.284 0.521
27 HA SER 4 HA SER 4 -14.919 5.106 1.178
28 1HB SER 4 1HB SER 4 -16.898 6.391 2.517
29 2HB SER 4 2HB SER 4 -17.874 5.378 1.427
30 HG SER 4 HG SER 4 -15.820 4.521 3.191
31 H GLN 5 H GLN 5 -15.097 3.334 -0.113
32 HA GLN 5 HA GLN 5 -16.002 1.964 -1.771
33 1HB GLN 5 1HB GLN 5 -18.118 3.589 -1.403
34 2HB GLN 5 2HB GLN 5 -17.613 4.154 -3.014
35 1HG GLN 5 1HG GLN 5 -17.409 1.414 -3.274
36 2HG GLN 5 2HG GLN 5 -18.811 1.576 -2.195
37 1HE2 GLN 5 1HE2 GLN 5 -19.453 0.505 -4.526
38 2HE2 GLN 5 2HE2 GLN 5 -20.211 1.654 -5.608
39 H GLU 6 H GLU 6 -15.284 5.393 -2.528
40 HA GLU 6 HA GLU 6 -14.532 5.149 -5.195
41 1HB GLU 6 1HB GLU 6 -13.752 6.912 -2.903
42 2HB GLU 6 2HB GLU 6 -12.747 6.968 -4.371
43 1HG GLU 6 1HG GLU 6 -15.778 7.259 -4.340
44 2HG GLU 6 2HG GLU 6 -14.638 8.621 -4.391
45 H THR 7 H THR 7 -12.610 4.462 -2.241
46 HA THR 7 HA THR 7 -10.409 3.467 -3.949
47 HB THR 7 HB THR 7 -9.950 3.190 -1.112
48 HG1 THR 7 1HG THR 7 -10.814 5.738 -2.026
49 1HG2 THR 7 1HG2 THR 7 -8.236 3.463 -2.882
50 2HG2 THR 7 2HG2 THR 7 -8.847 5.101 -3.217
51 3HG2 THR 7 3HG2 THR 7 -8.094 4.735 -1.646
52 H PHE 8 H PHE 8 -10.930 2.144 -0.760
53 HA PHE 8 HA PHE 8 -10.673 -0.243 -0.478
54 1HB PHE 8 1HB PHE 8 -13.612 0.078 -1.072
55 2HB PHE 8 2HB PHE 8 -12.829 -0.875 0.201
56 HD1 PHE 8 1HD PHE 8 -12.599 2.728 -0.861
57 HD2 PHE 8 2HD PHE 8 -13.394 -0.075 2.295
58 HE1 PHE 8 1HE PHE 8 -12.901 4.606 0.731
59 HE2 PHE 8 2HE PHE 8 -13.696 1.802 3.887
60 HZ PHE 8 HZ PHE 8 -13.450 4.143 3.105
61 H SER 9 H SER 9 -13.149 0.291 -3.057
62 HA SER 9 HA SER 9 -13.278 -2.096 -4.271
63 1HB SER 9 1HB SER 9 -14.275 0.078 -5.074
64 2HB SER 9 2HB SER 9 -12.706 0.451 -5.829
65 HG SER 9 HG SER 9 -13.482 -0.665 -7.424
66 H ASP 10 H ASP 10 -10.679 0.259 -5.144
67 HA ASP 10 HA ASP 10 -9.055 -2.066 -6.046
68 1HB ASP 10 1HB ASP 10 -9.634 0.527 -7.159
69 2HB ASP 10 2HB ASP 10 -7.893 0.414 -6.823
70 H LEU 11 H LEU 11 -9.442 0.258 -3.563
71 HA LEU 11 HA LEU 11 -6.679 0.672 -2.895
72 1HB LEU 11 1HB LEU 11 -8.843 1.974 -2.191
73 2HB LEU 11 2HB LEU 11 -8.938 0.756 -0.896
74 HG LEU 11 HG LEU 11 -7.183 3.064 -1.120
75 1HD1 LEU 11 1HD1 LEU 11 -6.724 2.428 1.256
76 2HD1 LEU 11 2HD1 LEU 11 -8.463 2.470 0.882
77 3HD1 LEU 11 3HD1 LEU 11 -7.614 0.909 0.993
78 1HD2 LEU 11 1HD2 LEU 11 -5.531 1.589 -2.084
79 2HD2 LEU 11 2HD2 LEU 11 -5.106 1.809 -0.370
80 3HD2 LEU 11 3HD2 LEU 11 -5.905 0.310 -0.904
81 H TRP 12 H TRP 12 -9.052 -0.950 -0.753
82 HA TRP 12 HA TRP 12 -7.355 -2.422 0.771
83 1HB TRP 12 1HB TRP 12 -10.118 -2.547 -0.006
84 2HB TRP 12 2HB TRP 12 -9.470 -4.192 0.069
85 HD1 TRP 12 HD TRP 12 -11.286 -1.984 2.139
86 HE1 TRP 12 1HE TRP 12 -10.944 -2.373 4.633
87 HE3 TRP 12 3HE TRP 12 -7.021 -4.807 1.938
88 HZ2 TRP 12 2HZ TRP 12 -9.053 -3.741 6.344
89 HZ3 TRP 12 3HZ TRP 12 -5.981 -5.634 4.017
90 HH2 TRP 12 HH TRP 12 -6.981 -5.111 6.222
91 H LYS 13 H LYS 13 -8.834 -3.733 -2.255
92 HA LYS 13 HA LYS 13 -7.451 -6.109 -2.426
93 1HB LYS 13 1HB LYS 13 -8.979 -4.434 -4.158
94 2HB LYS 13 2HB LYS 13 -7.511 -4.915 -5.042
95 1HG LYS 13 1HG LYS 13 -7.977 -7.304 -4.252
96 2HG LYS 13 2HG LYS 13 -9.570 -6.718 -3.716
97 1HD LYS 13 1HD LYS 13 -10.140 -6.026 -5.974
98 2HD LYS 13 2HD LYS 13 -8.496 -6.391 -6.548
99 1HE LYS 13 1HE LYS 13 -9.760 -8.658 -5.165
100 2HE LYS 13 2HE LYS 13 -10.668 -8.133 -6.600
101 1HZ LYS 13 1HZ LYS 13 -7.800 -8.401 -6.833
102 2HZ LYS 13 2HZ LYS 13 -8.691 -9.786 -6.753
103 3HZ LYS 13 3HZ LYS 13 -8.984 -8.685 -7.946
104 H LEU 14 H LEU 14 -6.338 -2.868 -3.517
105 HA LEU 14 HA LEU 14 -3.867 -3.719 -4.602
106 1HB LEU 14 1HB LEU 14 -5.046 -1.157 -3.596
107 2HB LEU 14 2HB LEU 14 -3.281 -1.227 -3.810
108 HG LEU 14 HG LEU 14 -5.113 -0.696 -5.820
109 1HD1 LEU 14 1HD1 LEU 14 -2.321 -1.908 -5.945
110 2HD1 LEU 14 2HD1 LEU 14 -3.159 -1.196 -7.344
111 3HD1 LEU 14 3HD1 LEU 14 -2.744 -0.179 -5.943
112 1HD2 LEU 14 1HD2 LEU 14 -5.483 -2.589 -7.135
113 2HD2 LEU 14 2HD2 LEU 14 -4.116 -3.478 -6.422
114 3HD2 LEU 14 3HD2 LEU 14 -5.624 -3.274 -5.498
115 H LEU 15 H LEU 15 -4.747 -2.579 -1.304
116 HA LEU 15 HA LEU 15 -2.070 -2.912 -0.284
117 1HB LEU 15 1HB LEU 15 -4.672 -1.982 0.644
118 2HB LEU 15 2HB LEU 15 -3.878 -3.007 1.863
119 HG LEU 15 HG LEU 15 -1.968 -1.611 1.962
120 1HD1 LEU 15 1HD1 LEU 15 -2.410 0.416 0.006
121 2HD1 LEU 15 2HD1 LEU 15 -1.111 -0.800 0.043
122 3HD1 LEU 15 3HD1 LEU 15 -2.632 -1.149 -0.813
123 1HD2 LEU 15 1HD2 LEU 15 -3.099 0.816 1.879
124 2HD2 LEU 15 2HD2 LEU 15 -4.586 -0.155 1.750
125 3HD2 LEU 15 3HD2 LEU 15 -3.508 -0.359 3.152
126 H LYS 16 H LYS 16 -4.518 -5.096 -1.175
127 HA LYS 16 HA LYS 16 -4.037 -7.074 0.894
128 1HB LYS 16 1HB LYS 16 -6.027 -6.614 -0.951
129 2HB LYS 16 2HB LYS 16 -5.147 -7.972 -1.693
130 1HG LYS 16 1HG LYS 16 -5.294 -9.215 0.461
131 2HG LYS 16 2HG LYS 16 -6.230 -7.870 1.155
132 1HD LYS 16 1HD LYS 16 -8.089 -8.860 0.342
133 2HD LYS 16 2HD LYS 16 -7.502 -8.465 -1.291
134 1HE LYS 16 1HE LYS 16 -6.379 -10.888 0.087
135 2HE LYS 16 2HE LYS 16 -8.026 -10.983 -0.573
136 1HZ LYS 16 1HZ LYS 16 -5.758 -11.347 -1.952
137 2HZ LYS 16 2HZ LYS 16 -7.239 -11.030 -2.607
138 3HZ LYS 16 3HZ LYS 16 -6.167 -9.801 -2.357
139 H LYS 17 H LYS 17 -1.872 -5.875 -1.081
140 HA LYS 17 HA LYS 17 -0.320 -8.308 -1.193
141 1HB LYS 17 1HB LYS 17 -1.115 -8.998 -3.202
142 2HB LYS 17 2HB LYS 17 -1.851 -7.418 -3.562
143 1HG LYS 17 1HG LYS 17 1.141 -7.972 -3.695
144 2HG LYS 17 2HG LYS 17 0.054 -8.039 -5.102
145 1HD LYS 17 1HD LYS 17 -0.561 -5.598 -3.857
146 2HD LYS 17 2HD LYS 17 1.212 -5.714 -3.756
147 1HE LYS 17 1HE LYS 17 0.582 -6.630 -6.336
148 2HE LYS 17 2HE LYS 17 -0.492 -5.237 -6.082
149 1HZ LYS 17 1HZ LYS 17 2.244 -5.260 -6.590
150 2HZ LYS 17 2HZ LYS 17 1.224 -3.970 -6.465
151 3HZ LYS 17 3HZ LYS 17 1.986 -4.552 -5.123
152 H TRP 18 H TRP 18 -0.839 -4.922 -2.180
153 HA TRP 18 HA TRP 18 1.967 -4.409 -2.651
154 1HB TRP 18 1HB TRP 18 -0.304 -3.183 -3.384
155 2HB TRP 18 2HB TRP 18 0.058 -2.230 -1.938
156 HD1 TRP 18 HD TRP 18 0.689 -2.294 -5.513
157 HE1 TRP 18 1HE TRP 18 2.600 -0.756 -6.199
158 HE3 TRP 18 3HE TRP 18 2.731 -1.437 -0.899
159 HZ2 TRP 18 2HZ TRP 18 4.758 0.678 -4.910
160 HZ3 TRP 18 3HZ TRP 18 4.710 0.018 -0.668
161 HH2 TRP 18 HH TRP 18 5.734 1.080 -2.658
162 H LYS 19 H LYS 19 -0.334 -3.855 0.047
163 HA LYS 19 HA LYS 19 1.048 -2.321 1.792
164 1HB LYS 19 1HB LYS 19 -1.117 -3.447 2.260
165 2HB LYS 19 2HB LYS 19 -0.249 -4.983 2.501
166 1HG LYS 19 1HG LYS 19 1.092 -3.020 4.075
167 2HG LYS 19 2HG LYS 19 -0.651 -2.817 4.373
168 1HD LYS 19 1HD LYS 19 -0.289 -5.594 4.335
169 2HD LYS 19 2HD LYS 19 1.144 -4.984 5.197
170 1HE LYS 19 1HE LYS 19 -0.719 -3.444 6.374
171 2HE LYS 19 2HE LYS 19 -1.754 -4.821 5.938
172 1HZ LYS 19 1HZ LYS 19 -0.731 -6.124 7.390
173 2HZ LYS 19 2HZ LYS 19 0.765 -5.472 7.145
174 3HZ LYS 19 3HZ LYS 19 -0.316 -4.709 8.130
175 H MET 20 H MET 20 1.750 -5.766 1.079
176 HA MET 20 HA MET 20 3.596 -6.473 2.918
177 1HB MET 20 1HB MET 20 3.649 -8.117 1.378
178 2HB MET 20 2HB MET 20 3.178 -7.005 0.070
179 1HG MET 20 1HG MET 20 5.815 -6.293 0.819
180 2HG MET 20 2HG MET 20 5.792 -8.062 0.732
181 1HE MET 20 1HE MET 20 4.966 -4.713 -1.591
182 2HE MET 20 2HE MET 20 3.984 -5.670 -2.726
183 3HE MET 20 3HE MET 20 3.555 -5.623 -0.999
184 H ARG 21 H ARG 21 4.194 -4.219 0.189
185 HA ARG 21 HA ARG 21 6.885 -3.654 1.272
186 1HB ARG 21 1HB ARG 21 5.430 -2.927 -1.291
187 2HB ARG 21 2HB ARG 21 7.007 -2.233 -0.846
188 1HG ARG 21 1HG ARG 21 6.882 -5.166 -0.542
189 2HG ARG 21 2HG ARG 21 6.639 -4.614 -2.217
190 1HD ARG 21 1HD ARG 21 8.870 -4.354 -2.373
191 2HD ARG 21 2HD ARG 21 8.731 -3.017 -1.211
192 HE ARG 21 HE ARG 21 8.886 -4.997 0.521
193 1HH1 ARG 21 2HH2 ARG 21 10.583 -4.662 -2.562
194 2HH1 ARG 21 1HH2 ARG 21 11.979 -5.584 -2.050
195 1HH2 ARG 21 2HH1 ARG 21 10.730 -6.215 1.197
196 2HH2 ARG 21 1HH1 ARG 21 12.063 -6.469 0.093
197 H ARG 22 H ARG 22 3.759 -2.056 0.534
198 HA ARG 22 HA ARG 22 4.562 0.546 1.384
199 1HB ARG 22 1HB ARG 22 2.580 0.059 -0.036
200 2HB ARG 22 2HB ARG 22 1.796 -0.726 1.356
201 1HG ARG 22 1HG ARG 22 2.715 1.792 2.289
202 2HG ARG 22 2HG ARG 22 1.960 2.097 0.706
203 1HD ARG 22 1HD ARG 22 0.334 2.206 2.610
204 2HD ARG 22 2HD ARG 22 -0.080 0.969 1.404
205 HE ARG 22 HE ARG 22 1.367 -0.475 3.185
206 1HH1 ARG 22 2HH2 ARG 22 -1.268 1.851 3.570
207 2HH1 ARG 22 1HH2 ARG 22 -1.901 1.101 5.019
208 1HH2 ARG 22 2HH1 ARG 22 0.531 -1.465 5.098
209 2HH2 ARG 22 1HH1 ARG 22 -0.875 -0.790 5.889
210 H ASN 23 H ASN 23 5.112 -1.887 3.199
211 HA ASN 23 HA ASN 23 4.252 -0.520 5.673
212 1HB ASN 23 1HB ASN 23 2.837 -2.691 4.742
213 2HB ASN 23 2HB ASN 23 4.042 -3.462 5.796
214 1HD2 ASN 23 1HD2 ASN 23 3.305 -3.780 7.813
215 2HD2 ASN 23 2HD2 ASN 23 2.245 -2.700 8.694
216 H GLN 24 H GLN 24 6.737 -1.248 3.901
217 HA GLN 24 HA GLN 24 8.541 -1.550 6.118
218 1HB GLN 24 1HB GLN 24 9.488 -3.759 4.985
219 2HB GLN 24 2HB GLN 24 8.197 -3.838 6.207
220 1HG GLN 24 1HG GLN 24 6.506 -4.114 4.562
221 2HG GLN 24 2HG GLN 24 7.581 -3.586 3.249
222 1HE2 GLN 24 1HE2 GLN 24 9.144 -5.025 2.396
223 2HE2 GLN 24 2HE2 GLN 24 9.093 -6.744 2.725
224 H PHE 25 H PHE 25 9.463 -3.193 3.207
225 HA PHE 25 HA PHE 25 11.646 -1.762 2.536
226 1HB PHE 25 1HB PHE 25 11.092 -3.653 1.235
227 2HB PHE 25 2HB PHE 25 9.519 -2.983 0.772
228 HD1 PHE 25 1HD PHE 25 9.732 -0.598 -0.493
229 HD2 PHE 25 2HD PHE 25 12.741 -3.662 -0.381
230 HE1 PHE 25 1HE PHE 25 10.729 0.305 -2.577
231 HE2 PHE 25 2HE PHE 25 13.738 -2.758 -2.464
232 HZ PHE 25 HZ PHE 25 12.732 -0.775 -3.562
233 H TRP 26 H TRP 26 8.283 -0.859 1.637
234 HA TRP 26 HA TRP 26 8.684 1.308 0.021
235 1HB TRP 26 1HB TRP 26 6.567 2.006 0.626
236 2HB TRP 26 2HB TRP 26 6.538 0.301 1.098
237 HD1 TRP 26 HD TRP 26 6.043 -0.253 3.547
238 HE1 TRP 26 1HE TRP 26 5.535 1.077 5.659
239 HE3 TRP 26 3HE TRP 26 7.237 4.429 1.859
240 HZ2 TRP 26 2HZ TRP 26 5.631 3.838 6.522
241 HZ3 TRP 26 3HZ TRP 26 7.016 6.381 3.352
242 HH2 TRP 26 HH TRP 26 6.217 6.104 5.680
243 H VAL 27 H VAL 27 9.018 1.230 3.592
244 HA VAL 27 HA VAL 27 9.381 3.863 4.217
245 HB VAL 27 HB VAL 27 10.811 3.126 6.021
246 1HG1 VAL 27 1HG1 VAL 27 8.962 2.151 6.865
247 2HG1 VAL 27 2HG1 VAL 27 8.393 1.742 5.229
248 3HG1 VAL 27 3HG1 VAL 27 9.465 0.622 6.104
249 1HG2 VAL 27 1HG2 VAL 27 11.353 0.828 4.130
250 2HG2 VAL 27 2HG2 VAL 27 12.512 1.850 5.015
251 3HG2 VAL 27 3HG2 VAL 27 11.565 0.619 5.885
252 H LYS 28 H LYS 28 11.806 1.695 2.693
253 HA LYS 28 HA LYS 28 13.908 3.611 2.624
254 1HB LYS 28 1HB LYS 28 13.264 1.127 1.008
255 2HB LYS 28 2HB LYS 28 14.732 2.093 0.724
256 1HG LYS 28 1HG LYS 28 15.423 1.785 3.057
257 2HG LYS 28 2HG LYS 28 13.917 0.905 3.411
258 1HD LYS 28 1HD LYS 28 14.533 -0.893 1.914
259 2HD LYS 28 2HD LYS 28 15.929 0.025 1.302
260 1HE LYS 28 1HE LYS 28 16.040 -0.139 4.193
261 2HE LYS 28 2HE LYS 28 15.864 -1.766 3.503
262 1HZ LYS 28 1HZ LYS 28 17.682 -0.551 1.929
263 2HZ LYS 28 2HZ LYS 28 18.080 -0.018 3.438
264 3HZ LYS 28 3HZ LYS 28 18.004 -1.636 3.129
265 H VAL 29 H VAL 29 11.196 2.879 0.428
266 HA VAL 29 HA VAL 29 11.932 4.234 -1.860
267 HB VAL 29 HB VAL 29 9.230 4.184 -0.460
268 1HG1 VAL 29 1HG1 VAL 29 8.560 4.416 -3.015
269 2HG1 VAL 29 2HG1 VAL 29 8.940 5.864 -2.053
270 3HG1 VAL 29 3HG1 VAL 29 10.162 5.178 -3.150
271 1HG2 VAL 29 1HG2 VAL 29 8.788 2.253 -1.823
272 2HG2 VAL 29 2HG2 VAL 29 10.275 2.502 -2.770
273 3HG2 VAL 29 3HG2 VAL 29 10.379 1.985 -1.070
274 H GLN 30 H GLN 30 11.560 5.523 1.312
275 HA GLN 30 HA GLN 30 11.202 8.276 0.279
276 1HB GLN 30 1HB GLN 30 10.355 8.798 2.340
277 2HB GLN 30 2HB GLN 30 10.044 7.047 2.393
278 1HG GLN 30 1HG GLN 30 11.157 7.469 4.429
279 2HG GLN 30 2HG GLN 30 12.446 6.864 3.367
280 1HE2 GLN 30 1HE2 GLN 30 13.319 8.243 5.492
281 2HE2 GLN 30 2HE2 GLN 30 13.831 9.859 5.053
282 H ARG 31 H ARG 31 13.474 6.162 2.044
283 HA ARG 31 HA ARG 31 15.560 6.753 2.963
284 1HB ARG 31 1HB ARG 31 16.042 5.688 0.859
285 2HB ARG 31 2HB ARG 31 15.694 7.183 -0.043
286 1HG ARG 31 1HG ARG 31 17.696 7.604 2.058
287 2HG ARG 31 2HG ARG 31 18.203 6.360 0.889
288 1HD ARG 31 1HD ARG 31 17.105 8.300 -0.748
289 2HD ARG 31 2HD ARG 31 17.865 9.272 0.530
290 HE ARG 31 HE ARG 31 19.594 7.166 -0.482
291 1HH1 ARG 31 2HH2 ARG 31 18.394 10.454 -0.981
292 2HH1 ARG 31 1HH2 ARG 31 19.794 10.973 -1.893
293 1HH2 ARG 31 2HH1 ARG 31 21.442 7.851 -1.688
294 2HH2 ARG 31 1HH1 ARG 31 21.531 9.488 -2.296
295 H GLY 32 H GLY 32 15.085 8.608 4.262
296 1HA GLY 32 1HA GLY 32 16.280 11.069 3.152
297 2HA GLY 32 2HA GLY 32 14.616 11.170 3.771
Start of MODEL 20
1 HA PRO 1 HA PRO 1 -22.748 7.086 -3.339
2 1HB PRO 1 1HB PRO 1 -20.060 7.264 -2.931
3 2HB PRO 1 2HB PRO 1 -20.817 7.769 -4.477
4 1HG PRO 1 1HG PRO 1 -20.091 9.536 -2.122
5 2HG PRO 1 2HG PRO 1 -19.637 9.773 -3.842
6 1HD PRO 1 1HD PRO 1 -21.800 11.027 -2.757
7 2HD PRO 1 2HD PRO 1 -21.874 10.367 -4.419
8 HA PRO 2 HA PRO 2 -22.556 5.996 0.922
9 1HB PRO 2 1HB PRO 2 -21.028 3.740 0.979
10 2HB PRO 2 2HB PRO 2 -22.600 3.796 0.117
11 1HG PRO 2 1HG PRO 2 -19.839 4.205 -1.067
12 2HG PRO 2 2HG PRO 2 -21.112 3.079 -1.640
13 1HD PRO 2 1HD PRO 2 -20.794 5.549 -2.748
14 2HD PRO 2 2HD PRO 2 -22.432 4.887 -2.462
15 H LEU 3 H LEU 3 -20.052 7.460 -0.627
16 HA LEU 3 HA LEU 3 -18.304 8.689 0.243
17 1HB LEU 3 1HB LEU 3 -19.735 7.909 2.572
18 2HB LEU 3 2HB LEU 3 -18.017 7.564 2.886
19 HG LEU 3 HG LEU 3 -18.279 10.100 1.504
20 1HD1 LEU 3 1HD1 LEU 3 -20.320 10.688 2.384
21 2HD1 LEU 3 2HD1 LEU 3 -20.194 9.525 3.725
22 3HD1 LEU 3 3HD1 LEU 3 -19.322 11.074 3.806
23 1HD2 LEU 3 1HD2 LEU 3 -16.379 9.263 2.927
24 2HD2 LEU 3 2HD2 LEU 3 -16.963 10.876 3.402
25 3HD2 LEU 3 3HD2 LEU 3 -17.426 9.446 4.355
26 H SER 4 H SER 4 -18.587 5.396 -0.142
27 HA SER 4 HA SER 4 -15.645 5.031 0.184
28 1HB SER 4 1HB SER 4 -16.066 2.705 0.735
29 2HB SER 4 2HB SER 4 -17.032 3.730 1.823
30 HG SER 4 HG SER 4 -18.600 2.520 1.115
31 H GLN 5 H GLN 5 -15.942 2.340 -1.074
32 HA GLN 5 HA GLN 5 -15.902 1.393 -3.159
33 1HB GLN 5 1HB GLN 5 -18.125 1.855 -3.651
34 2HB GLN 5 2HB GLN 5 -17.895 3.617 -3.536
35 1HG GLN 5 1HG GLN 5 -16.604 3.608 -5.625
36 2HG GLN 5 2HG GLN 5 -16.745 1.840 -5.727
37 1HE2 GLN 5 1HE2 GLN 5 -17.677 3.990 -7.599
38 2HE2 GLN 5 2HE2 GLN 5 -19.397 3.723 -7.792
39 H GLU 6 H GLU 6 -15.851 4.983 -3.591
40 HA GLU 6 HA GLU 6 -14.330 5.353 -5.758
41 1HB GLU 6 1HB GLU 6 -14.319 6.647 -3.061
42 2HB GLU 6 2HB GLU 6 -13.012 7.085 -4.186
43 1HG GLU 6 1HG GLU 6 -15.909 7.048 -5.071
44 2HG GLU 6 2HG GLU 6 -15.208 8.471 -4.270
45 H THR 7 H THR 7 -12.738 4.819 -2.556
46 HA THR 7 HA THR 7 -10.289 4.003 -3.971
47 HB THR 7 HB THR 7 -10.243 3.755 -1.069
48 HG1 THR 7 1HG THR 7 -10.989 6.262 -2.175
49 1HG2 THR 7 1HG2 THR 7 -8.327 5.195 -1.322
50 2HG2 THR 7 2HG2 THR 7 -8.335 4.096 -2.722
51 3HG2 THR 7 3HG2 THR 7 -8.897 5.774 -2.905
52 H PHE 8 H PHE 8 -11.101 2.585 -0.876
53 HA PHE 8 HA PHE 8 -10.614 0.233 -0.566
54 1HB PHE 8 1HB PHE 8 -13.465 0.242 -1.546
55 2HB PHE 8 2HB PHE 8 -12.758 -0.635 -0.178
56 HD1 PHE 8 1HD PHE 8 -12.817 2.982 -1.218
57 HD2 PHE 8 2HD PHE 8 -13.650 0.074 1.832
58 HE1 PHE 8 1HE PHE 8 -13.532 4.795 0.315
59 HE2 PHE 8 2HE PHE 8 -14.365 1.887 3.365
60 HZ PHE 8 HZ PHE 8 -14.307 4.248 2.606
61 H SER 9 H SER 9 -12.767 0.542 -3.453
62 HA SER 9 HA SER 9 -12.474 -1.828 -4.675
63 1HB SER 9 1HB SER 9 -13.580 0.257 -5.591
64 2HB SER 9 2HB SER 9 -11.975 0.778 -6.157
65 HG SER 9 HG SER 9 -13.548 -0.661 -7.506
66 H ASP 10 H ASP 10 -10.059 0.810 -5.196
67 HA ASP 10 HA ASP 10 -8.093 -1.298 -5.922
68 1HB ASP 10 1HB ASP 10 -8.738 1.357 -6.922
69 2HB ASP 10 2HB ASP 10 -7.027 1.250 -6.454
70 H LEU 11 H LEU 11 -8.995 0.997 -3.491
71 HA LEU 11 HA LEU 11 -6.406 1.539 -2.406
72 1HB LEU 11 1HB LEU 11 -8.837 2.577 -1.996
73 2HB LEU 11 2HB LEU 11 -8.834 1.409 -0.653
74 HG LEU 11 HG LEU 11 -7.026 3.774 -1.138
75 1HD1 LEU 11 1HD1 LEU 11 -8.154 4.493 0.675
76 2HD1 LEU 11 2HD1 LEU 11 -9.053 2.957 0.734
77 3HD1 LEU 11 3HD1 LEU 11 -7.511 3.120 1.609
78 1HD2 LEU 11 1HD2 LEU 11 -6.323 1.159 0.223
79 2HD2 LEU 11 2HD2 LEU 11 -5.355 2.113 -0.927
80 3HD2 LEU 11 3HD2 LEU 11 -5.583 2.693 0.740
81 H TRP 12 H TRP 12 -8.999 -0.473 -0.908
82 HA TRP 12 HA TRP 12 -7.360 -1.831 0.882
83 1HB TRP 12 1HB TRP 12 -9.318 -2.745 1.406
84 2HB TRP 12 2HB TRP 12 -10.028 -1.923 0.010
85 HD1 TRP 12 HD TRP 12 -11.286 -3.457 -1.523
86 HE1 TRP 12 1HE TRP 12 -11.249 -5.919 -2.176
87 HE3 TRP 12 3HE TRP 12 -7.272 -4.971 1.269
88 HZ2 TRP 12 2HZ TRP 12 -9.673 -8.269 -1.566
89 HZ3 TRP 12 3HZ TRP 12 -6.534 -7.325 1.207
90 HH2 TRP 12 HH TRP 12 -7.720 -8.982 -0.201
91 H LYS 13 H LYS 13 -8.022 -2.524 -2.558
92 HA LYS 13 HA LYS 13 -6.659 -5.051 -2.579
93 1HB LYS 13 1HB LYS 13 -8.222 -3.509 -4.344
94 2HB LYS 13 2HB LYS 13 -6.631 -3.652 -5.129
95 1HG LYS 13 1HG LYS 13 -6.879 -6.193 -4.304
96 2HG LYS 13 2HG LYS 13 -8.610 -5.789 -4.401
97 1HD LYS 13 1HD LYS 13 -8.569 -5.868 -6.657
98 2HD LYS 13 2HD LYS 13 -7.171 -4.768 -6.722
99 1HE LYS 13 1HE LYS 13 -5.971 -7.045 -5.817
100 2HE LYS 13 2HE LYS 13 -7.270 -7.741 -6.809
101 1HZ LYS 13 1HZ LYS 13 -6.477 -6.671 -8.668
102 2HZ LYS 13 2HZ LYS 13 -5.534 -5.619 -7.818
103 3HZ LYS 13 3HZ LYS 13 -5.107 -7.209 -7.924
104 H LEU 14 H LEU 14 -5.678 -1.669 -2.927
105 HA LEU 14 HA LEU 14 -3.077 -2.246 -4.030
106 1HB LEU 14 1HB LEU 14 -4.549 0.115 -2.944
107 2HB LEU 14 2HB LEU 14 -2.771 0.194 -2.927
108 HG LEU 14 HG LEU 14 -4.424 0.739 -5.116
109 1HD1 LEU 14 1HD1 LEU 14 -2.128 1.549 -4.773
110 2HD1 LEU 14 2HD1 LEU 14 -1.493 -0.095 -5.020
111 3HD1 LEU 14 3HD1 LEU 14 -2.267 0.771 -6.368
112 1HD2 LEU 14 1HD2 LEU 14 -4.474 -1.954 -5.052
113 2HD2 LEU 14 2HD2 LEU 14 -4.430 -1.044 -6.581
114 3HD2 LEU 14 3HD2 LEU 14 -2.932 -1.735 -5.914
115 H LEU 15 H LEU 15 -4.398 -1.699 -0.748
116 HA LEU 15 HA LEU 15 -1.843 -1.745 0.559
117 1HB LEU 15 1HB LEU 15 -4.659 -1.514 1.257
118 2HB LEU 15 2HB LEU 15 -3.811 -2.603 2.380
119 HG LEU 15 HG LEU 15 -1.986 -0.806 2.521
120 1HD1 LEU 15 1HD1 LEU 15 -2.751 0.392 0.445
121 2HD1 LEU 15 2HD1 LEU 15 -4.211 0.900 1.327
122 3HD1 LEU 15 3HD1 LEU 15 -2.608 1.458 1.864
123 1HD2 LEU 15 1HD2 LEU 15 -4.277 0.629 3.596
124 2HD2 LEU 15 2HD2 LEU 15 -4.455 -1.121 3.866
125 3HD2 LEU 15 3HD2 LEU 15 -3.008 -0.272 4.460
126 H LYS 16 H LYS 16 -3.614 -4.146 -1.044
127 HA LYS 16 HA LYS 16 -3.061 -6.370 0.706
128 1HB LYS 16 1HB LYS 16 -4.651 -5.920 -1.510
129 2HB LYS 16 2HB LYS 16 -3.350 -6.939 -2.172
130 1HG LYS 16 1HG LYS 16 -4.440 -7.759 0.482
131 2HG LYS 16 2HG LYS 16 -5.535 -7.950 -0.909
132 1HD LYS 16 1HD LYS 16 -2.887 -8.830 -1.657
133 2HD LYS 16 2HD LYS 16 -3.366 -9.638 -0.146
134 1HE LYS 16 1HE LYS 16 -5.620 -10.099 -1.299
135 2HE LYS 16 2HE LYS 16 -4.820 -9.616 -2.810
136 1HZ LYS 16 1HZ LYS 16 -3.093 -11.312 -2.098
137 2HZ LYS 16 2HZ LYS 16 -4.262 -11.903 -1.096
138 3HZ LYS 16 3HZ LYS 16 -4.518 -11.858 -2.724
139 H LYS 17 H LYS 17 -0.866 -4.400 -0.415
140 HA LYS 17 HA LYS 17 1.199 -6.412 -0.526
141 1HB LYS 17 1HB LYS 17 1.194 -6.778 -2.745
142 2HB LYS 17 2HB LYS 17 -0.015 -5.500 -3.017
143 1HG LYS 17 1HG LYS 17 2.963 -5.017 -2.584
144 2HG LYS 17 2HG LYS 17 2.155 -5.031 -4.170
145 1HD LYS 17 1HD LYS 17 0.596 -3.323 -2.544
146 2HD LYS 17 2HD LYS 17 2.288 -2.900 -2.191
147 1HE LYS 17 1HE LYS 17 1.797 -3.363 -5.052
148 2HE LYS 17 2HE LYS 17 0.812 -2.040 -4.392
149 1HZ LYS 17 1HZ LYS 17 2.591 -0.806 -4.502
150 2HZ LYS 17 2HZ LYS 17 3.336 -1.750 -3.373
151 3HZ LYS 17 3HZ LYS 17 3.536 -2.070 -4.979
152 H TRP 18 H TRP 18 0.037 -3.093 -0.804
153 HA TRP 18 HA TRP 18 2.721 -1.965 -0.511
154 1HB TRP 18 1HB TRP 18 0.410 -1.076 -1.633
155 2HB TRP 18 2HB TRP 18 0.304 -0.310 -0.042
156 HD1 TRP 18 HD TRP 18 1.553 0.321 -3.376
157 HE1 TRP 18 1HE TRP 18 3.251 2.219 -3.454
158 HE3 TRP 18 3HE TRP 18 2.602 0.672 1.622
159 HZ2 TRP 18 2HZ TRP 18 4.873 3.714 -1.581
160 HZ3 TRP 18 3HZ TRP 18 4.226 2.342 2.435
161 HH2 TRP 18 HH TRP 18 5.368 3.867 0.851
162 H LYS 19 H LYS 19 -0.262 -2.349 1.456
163 HA LYS 19 HA LYS 19 0.371 -0.972 3.733
164 1HB LYS 19 1HB LYS 19 -1.632 -2.538 3.167
165 2HB LYS 19 2HB LYS 19 -0.643 -3.814 3.916
166 1HG LYS 19 1HG LYS 19 -0.621 -2.728 6.018
167 2HG LYS 19 2HG LYS 19 -1.106 -1.166 5.316
168 1HD LYS 19 1HD LYS 19 -3.240 -1.693 5.832
169 2HD LYS 19 2HD LYS 19 -3.153 -2.967 4.592
170 1HE LYS 19 1HE LYS 19 -1.973 -3.529 7.297
171 2HE LYS 19 2HE LYS 19 -3.743 -3.533 7.137
172 1HZ LYS 19 1HZ LYS 19 -3.218 -5.009 5.128
173 2HZ LYS 19 2HZ LYS 19 -1.783 -5.278 5.895
174 3HZ LYS 19 3HZ LYS 19 -3.202 -5.657 6.645
175 H MET 20 H MET 20 1.442 -4.336 2.982
176 HA MET 20 HA MET 20 3.024 -4.655 5.309
177 1HB MET 20 1HB MET 20 4.171 -6.428 3.912
178 2HB MET 20 2HB MET 20 2.398 -6.565 3.984
179 1HG MET 20 1HG MET 20 2.271 -6.390 1.759
180 2HG MET 20 2HG MET 20 3.066 -4.808 1.828
181 1HE MET 20 1HE MET 20 6.767 -6.321 2.272
182 2HE MET 20 2HE MET 20 6.212 -4.788 1.559
183 3HE MET 20 3HE MET 20 5.538 -5.343 3.110
184 H ARG 21 H ARG 21 3.906 -3.595 1.980
185 HA ARG 21 HA ARG 21 6.656 -3.215 2.460
186 1HB ARG 21 1HB ARG 21 4.772 -1.709 0.601
187 2HB ARG 21 2HB ARG 21 6.549 -1.715 0.493
188 1HG ARG 21 1HG ARG 21 6.621 -4.021 -0.065
189 2HG ARG 21 2HG ARG 21 4.951 -4.293 0.487
190 1HD ARG 21 1HD ARG 21 5.443 -4.091 -2.086
191 2HD ARG 21 2HD ARG 21 4.019 -3.278 -1.401
192 HE ARG 21 HE ARG 21 5.858 -1.316 -1.216
193 1HH1 ARG 21 2HH2 ARG 21 5.070 -3.556 -3.835
194 2HH1 ARG 21 1HH2 ARG 21 5.525 -2.444 -5.107
195 1HH2 ARG 21 2HH1 ARG 21 6.459 0.153 -2.896
196 2HH2 ARG 21 1HH1 ARG 21 6.317 -0.330 -4.571
197 H ARG 22 H ARG 22 3.830 -1.211 3.214
198 HA ARG 22 HA ARG 22 5.247 1.205 3.761
199 1HB ARG 22 1HB ARG 22 2.804 1.073 3.387
200 2HB ARG 22 2HB ARG 22 2.626 0.160 4.905
201 1HG ARG 22 1HG ARG 22 2.230 2.296 5.704
202 2HG ARG 22 2HG ARG 22 4.001 2.247 5.878
203 1HD ARG 22 1HD ARG 22 2.763 3.166 3.283
204 2HD ARG 22 2HD ARG 22 2.868 4.286 4.658
205 HE ARG 22 HE ARG 22 5.386 2.957 4.120
206 1HH1 ARG 22 2HH2 ARG 22 3.241 5.599 3.163
207 2HH1 ARG 22 1HH2 ARG 22 4.527 6.589 2.510
208 1HH2 ARG 22 2HH1 ARG 22 7.085 4.264 3.258
209 2HH2 ARG 22 1HH1 ARG 22 6.719 5.828 2.564
210 H ASN 23 H ASN 23 6.083 -1.567 5.008
211 HA ASN 23 HA ASN 23 6.836 -0.374 7.591
212 1HB ASN 23 1HB ASN 23 4.603 -1.991 7.476
213 2HB ASN 23 2HB ASN 23 5.891 -3.155 7.855
214 1HD2 ASN 23 1HD2 ASN 23 7.407 -2.523 9.670
215 2HD2 ASN 23 2HD2 ASN 23 6.712 -1.693 11.046
216 H GLN 24 H GLN 24 7.898 -1.483 4.856
217 HA GLN 24 HA GLN 24 10.330 -2.568 5.977
218 1HB GLN 24 1HB GLN 24 8.363 -4.383 4.550
219 2HB GLN 24 2HB GLN 24 10.108 -4.730 4.605
220 1HG GLN 24 1HG GLN 24 9.773 -4.258 7.203
221 2HG GLN 24 2HG GLN 24 8.089 -4.690 6.835
222 1HE2 GLN 24 1HE2 GLN 24 7.917 -6.699 7.758
223 2HE2 GLN 24 2HE2 GLN 24 8.913 -8.070 7.318
224 H PHE 25 H PHE 25 9.259 -3.757 2.873
225 HA PHE 25 HA PHE 25 11.291 -2.833 1.335
226 1HB PHE 25 1HB PHE 25 9.701 -4.228 0.318
227 2HB PHE 25 2HB PHE 25 8.351 -3.162 0.746
228 HD1 PHE 25 1HD PHE 25 8.694 -0.646 -0.263
229 HD2 PHE 25 2HD PHE 25 10.274 -4.282 -1.916
230 HE1 PHE 25 1HE PHE 25 8.832 0.429 -2.494
231 HE2 PHE 25 2HE PHE 25 10.413 -3.207 -4.147
232 HZ PHE 25 HZ PHE 25 9.692 -0.852 -4.436
233 H TRP 26 H TRP 26 8.456 -0.944 2.409
234 HA TRP 26 HA TRP 26 8.721 1.330 0.843
235 1HB TRP 26 1HB TRP 26 7.429 2.401 2.437
236 2HB TRP 26 2HB TRP 26 7.052 0.697 2.729
237 HD1 TRP 26 HD TRP 26 7.469 -0.229 5.072
238 HE1 TRP 26 1HE TRP 26 8.386 0.678 7.268
239 HE3 TRP 26 3HE TRP 26 9.353 4.221 3.385
240 HZ2 TRP 26 2HZ TRP 26 9.770 3.045 8.193
241 HZ3 TRP 26 3HZ TRP 26 10.462 5.773 4.951
242 HH2 TRP 26 HH TRP 26 10.678 5.202 7.351
243 H VAL 27 H VAL 27 10.551 0.418 3.787
244 HA VAL 27 HA VAL 27 11.949 2.690 4.364
245 HB VAL 27 HB VAL 27 13.718 1.268 5.180
246 1HG1 VAL 27 1HG1 VAL 27 11.842 -0.830 5.654
247 2HG1 VAL 27 2HG1 VAL 27 12.247 0.535 6.722
248 3HG1 VAL 27 3HG1 VAL 27 10.914 0.686 5.551
249 1HG2 VAL 27 1HG2 VAL 27 12.650 -0.630 3.076
250 2HG2 VAL 27 2HG2 VAL 27 14.324 -0.087 3.346
251 3HG2 VAL 27 3HG2 VAL 27 13.570 -1.242 4.471
252 H LYS 28 H LYS 28 12.634 0.411 1.672
253 HA LYS 28 HA LYS 28 14.959 1.769 0.740
254 1HB LYS 28 1HB LYS 28 12.968 -0.156 -0.474
255 2HB LYS 28 2HB LYS 28 14.276 0.550 -1.452
256 1HG LYS 28 1HG LYS 28 15.619 -1.077 -0.640
257 2HG LYS 28 2HG LYS 28 15.528 -0.252 0.934
258 1HD LYS 28 1HD LYS 28 13.198 -1.576 1.062
259 2HD LYS 28 2HD LYS 28 14.052 -2.672 -0.050
260 1HE LYS 28 1HE LYS 28 15.381 -1.688 2.483
261 2HE LYS 28 2HE LYS 28 14.272 -3.075 2.521
262 1HZ LYS 28 1HZ LYS 28 15.674 -4.018 0.733
263 2HZ LYS 28 2HZ LYS 28 16.770 -2.819 1.016
264 3HZ LYS 28 3HZ LYS 28 16.407 -3.901 2.206
265 H VAL 29 H VAL 29 11.473 2.145 0.095
266 HA VAL 29 HA VAL 29 11.477 3.746 -2.152
267 HB VAL 29 HB VAL 29 9.809 4.010 0.380
268 1HG1 VAL 29 1HG1 VAL 29 9.664 5.301 -2.348
269 2HG1 VAL 29 2HG1 VAL 29 8.166 4.950 -1.454
270 3HG1 VAL 29 3HG1 VAL 29 9.395 6.024 -0.744
271 1HG2 VAL 29 1HG2 VAL 29 9.845 1.795 -0.894
272 2HG2 VAL 29 2HG2 VAL 29 8.249 2.568 -0.743
273 3HG2 VAL 29 3HG2 VAL 29 9.150 2.678 -2.274
274 H GLN 30 H GLN 30 12.964 4.393 0.887
275 HA GLN 30 HA GLN 30 13.014 7.310 0.384
276 1HB GLN 30 1HB GLN 30 13.360 7.546 2.625
277 2HB GLN 30 2HB GLN 30 12.681 5.902 2.692
278 1HG GLN 30 1HG GLN 30 15.033 5.011 2.438
279 2HG GLN 30 2HG GLN 30 15.623 6.679 2.603
280 1HE2 GLN 30 1HE2 GLN 30 16.199 4.420 4.367
281 2HE2 GLN 30 2HE2 GLN 30 15.578 4.842 5.948
282 H ARG 31 H ARG 31 15.139 4.445 0.698
283 HA ARG 31 HA ARG 31 17.477 4.367 0.476
284 1HB ARG 31 1HB ARG 31 16.602 3.644 -1.650
285 2HB ARG 31 2HB ARG 31 16.337 5.324 -2.175
286 1HG ARG 31 1HG ARG 31 18.572 5.687 -2.606
287 2HG ARG 31 2HG ARG 31 19.109 4.582 -1.318
288 1HD ARG 31 1HD ARG 31 18.305 2.657 -2.723
289 2HD ARG 31 2HD ARG 31 17.955 3.811 -4.028
290 HE ARG 31 HE ARG 31 20.206 3.877 -4.530
291 1HH1 ARG 31 2HH2 ARG 31 19.735 2.617 -1.261
292 2HH1 ARG 31 1HH2 ARG 31 21.421 2.214 -1.026
293 1HH2 ARG 31 2HH1 ARG 31 22.433 3.344 -4.220
294 2HH2 ARG 31 1HH1 ARG 31 22.959 2.628 -2.713
295 H GLY 32 H GLY 32 17.835 6.194 2.037
296 1HA GLY 32 1HA GLY 32 19.478 8.226 0.729
297 2HA GLY 32 2HA GLY 32 18.042 8.858 1.567
Start of MODEL 21
1 HA PRO 1 HA PRO 1 -12.398 10.808 2.980
2 1HB PRO 1 1HB PRO 1 -14.860 9.719 3.395
3 2HB PRO 1 2HB PRO 1 -13.975 10.578 4.697
4 1HG PRO 1 1HG PRO 1 -16.099 11.717 2.857
5 2HG PRO 1 2HG PRO 1 -16.058 11.792 4.649
6 1HD PRO 1 1HD PRO 1 -15.135 13.850 3.119
7 2HD PRO 1 2HD PRO 1 -14.267 13.367 4.608
8 HA PRO 2 HA PRO 2 -13.294 9.779 -1.208
9 1HB PRO 2 1HB PRO 2 -13.030 7.067 -1.191
10 2HB PRO 2 2HB PRO 2 -11.643 8.154 -0.860
11 1HG PRO 2 1HG PRO 2 -13.443 6.802 1.170
12 2HG PRO 2 2HG PRO 2 -11.650 6.769 1.113
13 1HD PRO 2 1HD PRO 2 -12.991 8.547 2.685
14 2HD PRO 2 2HD PRO 2 -11.522 9.051 1.795
15 H LEU 3 H LEU 3 -15.412 9.370 1.297
16 HA LEU 3 HA LEU 3 -17.731 9.249 1.163
17 1HB LEU 3 1HB LEU 3 -17.090 9.374 -1.516
18 2HB LEU 3 2HB LEU 3 -17.893 7.790 -1.398
19 HG LEU 3 HG LEU 3 -19.503 9.651 -1.845
20 1HD1 LEU 3 1HD1 LEU 3 -19.941 7.523 -0.372
21 2HD1 LEU 3 2HD1 LEU 3 -19.972 8.680 0.980
22 3HD1 LEU 3 3HD1 LEU 3 -21.134 8.844 -0.358
23 1HD2 LEU 3 1HD2 LEU 3 -18.043 11.258 -0.384
24 2HD2 LEU 3 2HD2 LEU 3 -19.813 11.436 -0.338
25 3HD2 LEU 3 3HD2 LEU 3 -18.969 10.591 0.982
26 H SER 4 H SER 4 -15.388 6.812 0.864
27 HA SER 4 HA SER 4 -15.340 4.725 1.841
28 1HB SER 4 1HB SER 4 -18.311 4.781 2.341
29 2HB SER 4 2HB SER 4 -17.013 4.050 3.315
30 HG SER 4 HG SER 4 -16.565 5.947 4.178
31 H GLN 5 H GLN 5 -15.199 2.893 0.675
32 HA GLN 5 HA GLN 5 -15.952 1.156 -0.690
33 1HB GLN 5 1HB GLN 5 -18.328 2.131 -0.114
34 2HB GLN 5 2HB GLN 5 -18.214 2.849 -1.739
35 1HG GLN 5 1HG GLN 5 -17.320 0.202 -2.057
36 2HG GLN 5 2HG GLN 5 -18.715 0.078 -0.963
37 1HE2 GLN 5 1HE2 GLN 5 -17.620 0.750 -4.209
38 2HE2 GLN 5 2HE2 GLN 5 -19.196 0.994 -4.930
39 H GLU 6 H GLU 6 -16.024 4.554 -1.757
40 HA GLU 6 HA GLU 6 -15.692 4.236 -4.503
41 1HB GLU 6 1HB GLU 6 -14.513 6.261 -2.569
42 2HB GLU 6 2HB GLU 6 -14.403 6.413 -4.339
43 1HG GLU 6 1HG GLU 6 -17.046 5.917 -4.119
44 2HG GLU 6 2HG GLU 6 -16.775 6.675 -2.534
45 H THR 7 H THR 7 -13.153 4.283 -1.945
46 HA THR 7 HA THR 7 -11.170 3.420 -3.956
47 HB THR 7 HB THR 7 -10.244 3.613 -1.193
48 HG1 THR 7 1HG THR 7 -10.592 5.967 -1.248
49 1HG2 THR 7 1HG2 THR 7 -8.451 4.550 -2.252
50 2HG2 THR 7 2HG2 THR 7 -9.237 3.937 -3.726
51 3HG2 THR 7 3HG2 THR 7 -9.471 5.631 -3.232
52 H PHE 8 H PHE 8 -10.989 2.451 -0.578
53 HA PHE 8 HA PHE 8 -10.202 0.189 -0.139
54 1HB PHE 8 1HB PHE 8 -13.195 -0.110 -0.192
55 2HB PHE 8 2HB PHE 8 -12.032 -0.659 1.028
56 HD1 PHE 8 1HD PHE 8 -12.785 2.677 -0.544
57 HD2 PHE 8 2HD PHE 8 -12.404 0.374 3.062
58 HE1 PHE 8 1HE PHE 8 -13.238 4.710 0.803
59 HE2 PHE 8 2HE PHE 8 -12.856 2.406 4.408
60 HZ PHE 8 HZ PHE 8 -13.274 4.575 3.279
61 H SER 9 H SER 9 -13.146 -0.042 -2.223
62 HA SER 9 HA SER 9 -13.023 -2.548 -3.163
63 1HB SER 9 1HB SER 9 -14.535 -0.678 -3.952
64 2HB SER 9 2HB SER 9 -13.227 -0.173 -5.049
65 HG SER 9 HG SER 9 -14.679 -1.600 -6.069
66 H ASP 10 H ASP 10 -11.129 0.084 -4.761
67 HA ASP 10 HA ASP 10 -9.410 -1.961 -5.995
68 1HB ASP 10 1HB ASP 10 -10.114 0.870 -6.453
69 2HB ASP 10 2HB ASP 10 -8.395 0.497 -6.705
70 H LEU 11 H LEU 11 -9.317 0.627 -3.546
71 HA LEU 11 HA LEU 11 -6.517 0.685 -3.146
72 1HB LEU 11 1HB LEU 11 -8.828 1.869 -2.030
73 2HB LEU 11 2HB LEU 11 -7.999 1.056 -0.681
74 HG LEU 11 HG LEU 11 -5.859 2.153 -1.402
75 1HD1 LEU 11 1HD1 LEU 11 -6.611 4.309 -2.911
76 2HD1 LEU 11 2HD1 LEU 11 -5.914 2.818 -3.587
77 3HD1 LEU 11 3HD1 LEU 11 -7.679 3.049 -3.576
78 1HD2 LEU 11 1HD2 LEU 11 -6.692 3.416 0.318
79 2HD2 LEU 11 2HD2 LEU 11 -6.958 4.611 -0.975
80 3HD2 LEU 11 3HD2 LEU 11 -8.297 3.569 -0.437
81 H TRP 12 H TRP 12 -8.833 -0.734 -0.787
82 HA TRP 12 HA TRP 12 -7.127 -2.274 0.664
83 1HB TRP 12 1HB TRP 12 -9.937 -2.259 0.050
84 2HB TRP 12 2HB TRP 12 -9.373 -3.933 0.135
85 HD1 TRP 12 HD TRP 12 -10.963 -1.600 2.240
86 HE1 TRP 12 1HE TRP 12 -10.492 -1.934 4.721
87 HE3 TRP 12 3HE TRP 12 -6.832 -4.600 1.879
88 HZ2 TRP 12 2HZ TRP 12 -8.559 -3.331 6.360
89 HZ3 TRP 12 3HZ TRP 12 -5.705 -5.411 3.919
90 HH2 TRP 12 HH TRP 12 -6.553 -4.787 6.161
91 H LYS 13 H LYS 13 -8.881 -3.571 -2.218
92 HA LYS 13 HA LYS 13 -7.553 -6.003 -2.403
93 1HB LYS 13 1HB LYS 13 -9.520 -5.008 -3.782
94 2HB LYS 13 2HB LYS 13 -8.248 -4.368 -4.851
95 1HG LYS 13 1HG LYS 13 -7.950 -7.224 -4.064
96 2HG LYS 13 2HG LYS 13 -9.338 -6.859 -5.116
97 1HD LYS 13 1HD LYS 13 -7.562 -5.450 -6.475
98 2HD LYS 13 2HD LYS 13 -6.389 -6.502 -5.648
99 1HE LYS 13 1HE LYS 13 -7.341 -8.475 -6.579
100 2HE LYS 13 2HE LYS 13 -8.814 -7.621 -7.085
101 1HZ LYS 13 1HZ LYS 13 -7.454 -7.953 -8.951
102 2HZ LYS 13 2HZ LYS 13 -7.391 -6.344 -8.594
103 3HZ LYS 13 3HZ LYS 13 -6.122 -7.325 -8.208
104 H LEU 14 H LEU 14 -6.565 -2.802 -3.683
105 HA LEU 14 HA LEU 14 -4.265 -3.710 -5.079
106 1HB LEU 14 1HB LEU 14 -5.238 -1.095 -3.956
107 2HB LEU 14 2HB LEU 14 -3.554 -1.219 -4.521
108 HG LEU 14 HG LEU 14 -5.860 -0.808 -6.106
109 1HD1 LEU 14 1HD1 LEU 14 -2.948 -1.460 -6.588
110 2HD1 LEU 14 2HD1 LEU 14 -4.065 -1.299 -7.964
111 3HD1 LEU 14 3HD1 LEU 14 -3.818 0.071 -6.855
112 1HD2 LEU 14 1HD2 LEU 14 -4.630 -3.472 -6.849
113 2HD2 LEU 14 2HD2 LEU 14 -6.037 -3.393 -5.763
114 3HD2 LEU 14 3HD2 LEU 14 -6.152 -2.746 -7.417
115 H LEU 15 H LEU 15 -4.711 -2.468 -1.732
116 HA LEU 15 HA LEU 15 -1.932 -2.761 -1.045
117 1HB LEU 15 1HB LEU 15 -4.416 -1.864 0.189
118 2HB LEU 15 2HB LEU 15 -3.458 -2.859 1.312
119 HG LEU 15 HG LEU 15 -1.633 -1.401 1.257
120 1HD1 LEU 15 1HD1 LEU 15 -0.911 -0.981 -0.858
121 2HD1 LEU 15 2HD1 LEU 15 -2.564 -0.979 -1.518
122 3HD1 LEU 15 3HD1 LEU 15 -1.913 0.485 -0.743
123 1HD2 LEU 15 1HD2 LEU 15 -3.325 -0.160 2.371
124 2HD2 LEU 15 2HD2 LEU 15 -2.633 0.988 1.200
125 3HD2 LEU 15 3HD2 LEU 15 -4.185 0.189 0.853
126 H LYS 16 H LYS 16 -4.503 -4.980 -1.504
127 HA LYS 16 HA LYS 16 -3.802 -6.918 0.489
128 1HB LYS 16 1HB LYS 16 -5.888 -6.574 -1.228
129 2HB LYS 16 2HB LYS 16 -4.977 -7.845 -2.079
130 1HG LYS 16 1HG LYS 16 -5.135 -8.312 0.820
131 2HG LYS 16 2HG LYS 16 -6.737 -8.242 0.049
132 1HD LYS 16 1HD LYS 16 -6.282 -10.054 -1.365
133 2HD LYS 16 2HD LYS 16 -4.519 -9.837 -1.240
134 1HE LYS 16 1HE LYS 16 -5.983 -10.428 1.296
135 2HE LYS 16 2HE LYS 16 -5.869 -11.753 0.117
136 1HZ LYS 16 1HZ LYS 16 -3.419 -10.391 0.456
137 2HZ LYS 16 2HZ LYS 16 -3.971 -11.014 1.880
138 3HZ LYS 16 3HZ LYS 16 -3.755 -12.001 0.576
139 H LYS 17 H LYS 17 -1.761 -5.690 -1.618
140 HA LYS 17 HA LYS 17 -0.121 -8.069 -1.713
141 1HB LYS 17 1HB LYS 17 -0.943 -8.846 -3.676
142 2HB LYS 17 2HB LYS 17 -1.779 -7.316 -4.038
143 1HG LYS 17 1HG LYS 17 1.221 -7.779 -4.326
144 2HG LYS 17 2HG LYS 17 0.051 -7.811 -5.667
145 1HD LYS 17 1HD LYS 17 -0.446 -5.412 -4.221
146 2HD LYS 17 2HD LYS 17 1.320 -5.529 -4.413
147 1HE LYS 17 1HE LYS 17 0.299 -6.345 -6.892
148 2HE LYS 17 2HE LYS 17 -0.746 -4.987 -6.417
149 1HZ LYS 17 1HZ LYS 17 1.089 -4.135 -7.561
150 2HZ LYS 17 2HZ LYS 17 1.319 -3.755 -5.973
151 3HZ LYS 17 3HZ LYS 17 2.175 -4.986 -6.659
152 H TRP 18 H TRP 18 -0.791 -4.696 -2.166
153 HA TRP 18 HA TRP 18 2.002 -4.111 -2.923
154 1HB TRP 18 1HB TRP 18 -0.419 -2.975 -3.578
155 2HB TRP 18 2HB TRP 18 0.165 -1.892 -2.307
156 HD1 TRP 18 HD TRP 18 0.201 -2.188 -5.874
157 HE1 TRP 18 1HE TRP 18 2.094 -0.890 -6.978
158 HE3 TRP 18 3HE TRP 18 3.134 -1.380 -1.757
159 HZ2 TRP 18 2HZ TRP 18 4.584 0.352 -6.181
160 HZ3 TRP 18 3HZ TRP 18 5.255 -0.137 -1.969
161 HH2 TRP 18 HH TRP 18 5.993 0.733 -4.168
162 H LYS 19 H LYS 19 -0.363 -3.463 -0.293
163 HA LYS 19 HA LYS 19 1.019 -1.852 1.400
164 1HB LYS 19 1HB LYS 19 -1.215 -3.211 1.686
165 2HB LYS 19 2HB LYS 19 -0.169 -4.387 2.519
166 1HG LYS 19 1HG LYS 19 0.563 -1.795 3.465
167 2HG LYS 19 2HG LYS 19 -1.214 -1.884 3.508
168 1HD LYS 19 1HD LYS 19 -0.023 -4.383 4.423
169 2HD LYS 19 2HD LYS 19 0.584 -3.005 5.371
170 1HE LYS 19 1HE LYS 19 -1.346 -3.172 6.541
171 2HE LYS 19 2HE LYS 19 -2.115 -2.429 5.122
172 1HZ LYS 19 1HZ LYS 19 -3.077 -4.556 5.946
173 2HZ LYS 19 2HZ LYS 19 -2.732 -4.498 4.334
174 3HZ LYS 19 3HZ LYS 19 -1.737 -5.319 5.362
175 H MET 20 H MET 20 1.478 -5.427 1.196
176 HA MET 20 HA MET 20 3.313 -5.996 3.047
177 1HB MET 20 1HB MET 20 4.590 -7.227 1.063
178 2HB MET 20 2HB MET 20 2.963 -7.741 1.570
179 1HG MET 20 1HG MET 20 2.136 -7.245 -0.447
180 2HG MET 20 2HG MET 20 2.706 -5.575 -0.296
181 1HE MET 20 1HE MET 20 3.310 -5.206 -3.028
182 2HE MET 20 2HE MET 20 4.116 -4.509 -1.602
183 3HE MET 20 3HE MET 20 5.087 -5.137 -2.955
184 H ARG 21 H ARG 21 3.996 -4.045 0.123
185 HA ARG 21 HA ARG 21 6.721 -3.513 1.160
186 1HB ARG 21 1HB ARG 21 5.359 -3.074 -1.518
187 2HB ARG 21 2HB ARG 21 6.964 -2.410 -1.127
188 1HG ARG 21 1HG ARG 21 6.241 -5.358 -0.879
189 2HG ARG 21 2HG ARG 21 7.027 -4.647 -2.309
190 1HD ARG 21 1HD ARG 21 8.870 -3.820 -0.845
191 2HD ARG 21 2HD ARG 21 8.098 -4.616 0.543
192 HE ARG 21 HE ARG 21 8.782 -6.280 -1.810
193 1HH1 ARG 21 2HH2 ARG 21 9.445 -5.235 1.502
194 2HH1 ARG 21 1HH2 ARG 21 10.481 -6.596 1.870
195 1HH2 ARG 21 2HH1 ARG 21 10.150 -8.078 -1.324
196 2HH2 ARG 21 1HH1 ARG 21 10.883 -8.217 0.258
197 H ARG 22 H ARG 22 3.725 -1.861 0.059
198 HA ARG 22 HA ARG 22 4.678 0.772 0.682
199 1HB ARG 22 1HB ARG 22 2.791 0.152 -0.896
200 2HB ARG 22 2HB ARG 22 1.799 -0.190 0.542
201 1HG ARG 22 1HG ARG 22 1.251 2.018 0.425
202 2HG ARG 22 2HG ARG 22 2.850 2.282 1.161
203 1HD ARG 22 1HD ARG 22 2.052 2.455 -1.756
204 2HD ARG 22 2HD ARG 22 2.847 3.683 -0.749
205 HE ARG 22 HE ARG 22 4.408 1.243 -1.053
206 1HH1 ARG 22 2HH2 ARG 22 3.561 4.380 -2.449
207 2HH1 ARG 22 1HH2 ARG 22 5.043 4.524 -3.368
208 1HH2 ARG 22 2HH1 ARG 22 6.365 1.435 -2.267
209 2HH2 ARG 22 1HH1 ARG 22 6.641 2.845 -3.264
210 H ASN 23 H ASN 23 4.808 -1.475 2.790
211 HA ASN 23 HA ASN 23 3.818 0.224 4.991
212 1HB ASN 23 1HB ASN 23 2.339 -1.964 4.100
213 2HB ASN 23 2HB ASN 23 3.274 -2.616 5.464
214 1HD2 ASN 23 1HD2 ASN 23 2.618 -2.180 7.518
215 2HD2 ASN 23 2HD2 ASN 23 1.369 -1.029 7.941
216 H GLN 24 H GLN 24 6.389 -0.935 3.613
217 HA GLN 24 HA GLN 24 7.875 -1.195 6.071
218 1HB GLN 24 1HB GLN 24 7.271 -3.649 4.402
219 2HB GLN 24 2HB GLN 24 8.745 -3.532 5.392
220 1HG GLN 24 1HG GLN 24 6.973 -2.732 7.240
221 2HG GLN 24 2HG GLN 24 5.873 -3.703 6.238
222 1HE2 GLN 24 1HE2 GLN 24 5.586 -5.354 7.771
223 2HE2 GLN 24 2HE2 GLN 24 6.865 -6.469 8.200
224 H PHE 25 H PHE 25 8.987 -3.117 3.407
225 HA PHE 25 HA PHE 25 11.364 -1.945 2.937
226 1HB PHE 25 1HB PHE 25 10.796 -3.849 1.671
227 2HB PHE 25 2HB PHE 25 9.348 -3.081 0.996
228 HD1 PHE 25 1HD PHE 25 9.913 -0.802 -0.356
229 HD2 PHE 25 2HD PHE 25 12.600 -4.098 0.251
230 HE1 PHE 25 1HE PHE 25 11.207 -0.115 -2.357
231 HE2 PHE 25 2HE PHE 25 13.894 -3.411 -1.750
232 HZ PHE 25 HZ PHE 25 13.198 -1.420 -3.054
233 H TRP 26 H TRP 26 8.252 -0.796 1.541
234 HA TRP 26 HA TRP 26 9.083 1.225 -0.103
235 1HB TRP 26 1HB TRP 26 6.981 2.157 0.167
236 2HB TRP 26 2HB TRP 26 6.721 0.482 0.673
237 HD1 TRP 26 HD TRP 26 5.820 0.072 3.031
238 HE1 TRP 26 1HE TRP 26 5.143 1.523 5.012
239 HE3 TRP 26 3HE TRP 26 7.702 4.554 1.428
240 HZ2 TRP 26 2HZ TRP 26 5.383 4.294 5.813
241 HZ3 TRP 26 3HZ TRP 26 7.459 6.573 2.825
242 HH2 TRP 26 HH TRP 26 6.305 6.461 5.015
243 H VAL 27 H VAL 27 8.905 1.329 3.478
244 HA VAL 27 HA VAL 27 9.420 3.952 4.031
245 HB VAL 27 HB VAL 27 10.520 3.199 6.049
246 1HG1 VAL 27 1HG1 VAL 27 8.941 0.837 6.064
247 2HG1 VAL 27 2HG1 VAL 27 8.485 2.449 6.665
248 3HG1 VAL 27 3HG1 VAL 27 8.111 1.986 4.987
249 1HG2 VAL 27 1HG2 VAL 27 12.209 1.717 5.382
250 2HG2 VAL 27 2HG2 VAL 27 11.020 0.613 6.115
251 3HG2 VAL 27 3HG2 VAL 27 11.110 0.776 4.345
252 H LYS 28 H LYS 28 11.818 1.504 2.953
253 HA LYS 28 HA LYS 28 14.079 3.228 3.102
254 1HB LYS 28 1HB LYS 28 13.432 0.713 1.538
255 2HB LYS 28 2HB LYS 28 15.003 1.538 1.395
256 1HG LYS 28 1HG LYS 28 13.770 0.628 4.029
257 2HG LYS 28 2HG LYS 28 14.991 -0.294 3.120
258 1HD LYS 28 1HD LYS 28 16.250 2.087 3.191
259 2HD LYS 28 2HD LYS 28 15.276 2.254 4.672
260 1HE LYS 28 1HE LYS 28 16.471 0.671 5.780
261 2HE LYS 28 2HE LYS 28 16.557 -0.392 4.359
262 1HZ LYS 28 1HZ LYS 28 18.676 0.232 4.469
263 2HZ LYS 28 2HZ LYS 28 18.146 1.531 3.602
264 3HZ LYS 28 3HZ LYS 28 18.372 1.663 5.231
265 H VAL 29 H VAL 29 11.633 2.610 0.583
266 HA VAL 29 HA VAL 29 12.793 3.757 -1.640
267 HB VAL 29 HB VAL 29 9.939 4.029 -0.619
268 1HG1 VAL 29 1HG1 VAL 29 9.934 4.065 -3.407
269 2HG1 VAL 29 2HG1 VAL 29 9.703 5.475 -2.348
270 3HG1 VAL 29 3HG1 VAL 29 11.321 5.098 -2.985
271 1HG2 VAL 29 1HG2 VAL 29 11.100 2.149 -2.709
272 2HG2 VAL 29 2HG2 VAL 29 10.951 1.708 -0.990
273 3HG2 VAL 29 3HG2 VAL 29 9.494 2.078 -1.944
274 H GLN 30 H GLN 30 12.122 5.261 1.388
275 HA GLN 30 HA GLN 30 12.172 7.970 0.194
276 1HB GLN 30 1HB GLN 30 11.108 8.671 2.086
277 2HB GLN 30 2HB GLN 30 10.671 6.950 2.218
278 1HG GLN 30 1HG GLN 30 12.798 6.611 3.555
279 2HG GLN 30 2HG GLN 30 12.995 8.377 3.567
280 1HE2 GLN 30 1HE2 GLN 30 12.856 8.253 5.921
281 2HE2 GLN 30 2HE2 GLN 30 11.290 8.127 6.692
282 H ARG 31 H ARG 31 13.971 5.808 2.410
283 HA ARG 31 HA ARG 31 15.980 6.262 3.536
284 1HB ARG 31 1HB ARG 31 16.621 5.013 1.581
285 2HB ARG 31 2HB ARG 31 16.534 6.464 0.554
286 1HG ARG 31 1HG ARG 31 18.529 7.315 1.347
287 2HG ARG 31 2HG ARG 31 18.333 6.569 2.952
288 1HD ARG 31 1HD ARG 31 18.783 4.339 1.949
289 2HD ARG 31 2HD ARG 31 19.026 5.112 0.368
290 HE ARG 31 HE ARG 31 20.710 6.180 2.505
291 1HH1 ARG 31 2HH2 ARG 31 20.335 3.759 -0.045
292 2HH1 ARG 31 1HH2 ARG 31 22.054 3.490 -0.231
293 1HH2 ARG 31 2HH1 ARG 31 22.980 5.824 2.259
294 2HH2 ARG 31 1HH1 ARG 31 23.562 4.668 1.083
295 H GLY 32 H GLY 32 15.297 8.306 4.548
296 1HA GLY 32 1HA GLY 32 16.483 10.694 3.216
297 2HA GLY 32 2HA GLY 32 15.182 10.730 4.428
Start of MODEL 22
1 HA PRO 1 HA PRO 1 -21.884 7.571 1.841
2 1HB PRO 1 1HB PRO 1 -19.918 7.853 -0.023
3 2HB PRO 1 2HB PRO 1 -21.543 7.228 -0.451
4 1HG PRO 1 1HG PRO 1 -20.548 10.081 -0.699
5 2HG PRO 1 2HG PRO 1 -21.327 9.086 -1.972
6 1HD PRO 1 1HD PRO 1 -22.764 10.841 -0.461
7 2HD PRO 1 2HD PRO 1 -23.446 9.242 -0.890
8 HA PRO 2 HA PRO 2 -18.791 9.582 4.245
9 1HB PRO 2 1HB PRO 2 -16.627 7.930 4.136
10 2HB PRO 2 2HB PRO 2 -18.179 7.408 4.869
11 1HG PRO 2 1HG PRO 2 -17.219 6.899 2.038
12 2HG PRO 2 2HG PRO 2 -17.825 5.689 3.216
13 1HD PRO 2 1HD PRO 2 -19.463 6.783 1.333
14 2HD PRO 2 2HD PRO 2 -20.058 6.495 2.996
15 H LEU 3 H LEU 3 -18.728 9.612 0.956
16 HA LEU 3 HA LEU 3 -17.671 11.028 -0.515
17 1HB LEU 3 1HB LEU 3 -16.933 12.080 2.081
18 2HB LEU 3 2HB LEU 3 -15.559 12.208 0.957
19 HG LEU 3 HG LEU 3 -17.585 12.988 -0.684
20 1HD1 LEU 3 1HD1 LEU 3 -18.523 13.274 2.117
21 2HD1 LEU 3 2HD1 LEU 3 -18.675 14.744 1.125
22 3HD1 LEU 3 3HD1 LEU 3 -19.454 13.232 0.601
23 1HD2 LEU 3 1HD2 LEU 3 -15.925 14.545 -0.698
24 2HD2 LEU 3 2HD2 LEU 3 -16.914 15.377 0.526
25 3HD2 LEU 3 3HD2 LEU 3 -15.575 14.319 1.032
26 H SER 4 H SER 4 -16.458 8.393 1.026
27 HA SER 4 HA SER 4 -13.878 8.477 -0.459
28 1HB SER 4 1HB SER 4 -13.082 6.821 1.093
29 2HB SER 4 2HB SER 4 -13.857 8.107 2.050
30 HG SER 4 HG SER 4 -14.402 5.700 2.354
31 H GLN 5 H GLN 5 -13.795 5.467 -0.041
32 HA GLN 5 HA GLN 5 -14.663 3.536 -1.013
33 1HB GLN 5 1HB GLN 5 -16.803 3.502 -1.770
34 2HB GLN 5 2HB GLN 5 -16.872 5.163 -1.135
35 1HG GLN 5 1HG GLN 5 -17.591 5.498 -3.322
36 2HG GLN 5 2HG GLN 5 -15.845 5.782 -3.491
37 1HE2 GLN 5 1HE2 GLN 5 -17.958 2.853 -3.303
38 2HE2 GLN 5 2HE2 GLN 5 -17.318 2.092 -4.744
39 H GLU 6 H GLU 6 -13.955 6.503 -2.791
40 HA GLU 6 HA GLU 6 -13.583 5.630 -5.375
41 1HB GLU 6 1HB GLU 6 -12.171 7.606 -3.608
42 2HB GLU 6 2HB GLU 6 -11.471 7.237 -5.202
43 1HG GLU 6 1HG GLU 6 -13.351 8.028 -6.357
44 2HG GLU 6 2HG GLU 6 -14.419 7.837 -4.949
45 H THR 7 H THR 7 -10.924 5.682 -2.927
46 HA THR 7 HA THR 7 -9.492 3.665 -4.519
47 HB THR 7 HB THR 7 -8.273 4.379 -1.975
48 HG1 THR 7 1HG THR 7 -8.997 6.486 -3.738
49 1HG2 THR 7 1HG2 THR 7 -6.578 5.343 -3.690
50 2HG2 THR 7 2HG2 THR 7 -6.898 3.592 -3.739
51 3HG2 THR 7 3HG2 THR 7 -7.662 4.671 -4.931
52 H PHE 8 H PHE 8 -9.306 3.770 -1.001
53 HA PHE 8 HA PHE 8 -9.132 1.615 0.130
54 1HB PHE 8 1HB PHE 8 -12.080 2.229 0.161
55 2HB PHE 8 2HB PHE 8 -11.027 1.723 1.493
56 HD1 PHE 8 1HD PHE 8 -10.907 4.531 -1.011
57 HD2 PHE 8 2HD PHE 8 -10.887 3.357 3.121
58 HE1 PHE 8 1HE PHE 8 -10.618 6.901 -0.339
59 HE2 PHE 8 2HE PHE 8 -10.597 5.727 3.793
60 HZ PHE 8 HZ PHE 8 -10.463 7.499 2.063
61 H SER 9 H SER 9 -12.188 1.647 -1.801
62 HA SER 9 HA SER 9 -12.871 -0.943 -1.894
63 1HB SER 9 1HB SER 9 -13.843 0.957 -3.253
64 2HB SER 9 2HB SER 9 -12.542 0.689 -4.438
65 HG SER 9 HG SER 9 -13.685 -0.883 -5.182
66 H ASP 10 H ASP 10 -10.421 0.388 -4.195
67 HA ASP 10 HA ASP 10 -9.390 -2.377 -4.522
68 1HB ASP 10 1HB ASP 10 -9.945 -0.256 -6.322
69 2HB ASP 10 2HB ASP 10 -8.176 -0.414 -6.260
70 H LEU 11 H LEU 11 -8.716 0.731 -3.120
71 HA LEU 11 HA LEU 11 -5.857 0.576 -3.111
72 1HB LEU 11 1HB LEU 11 -7.589 2.535 -2.578
73 2HB LEU 11 2HB LEU 11 -7.371 1.946 -0.912
74 HG LEU 11 HG LEU 11 -5.225 2.929 -2.834
75 1HD1 LEU 11 1HD1 LEU 11 -4.863 4.195 -0.444
76 2HD1 LEU 11 2HD1 LEU 11 -5.876 4.841 -1.757
77 3HD1 LEU 11 3HD1 LEU 11 -6.625 3.950 -0.411
78 1HD2 LEU 11 1HD2 LEU 11 -4.803 1.790 -0.046
79 2HD2 LEU 11 2HD2 LEU 11 -4.614 0.815 -1.523
80 3HD2 LEU 11 3HD2 LEU 11 -3.567 2.229 -1.249
81 H TRP 12 H TRP 12 -8.113 0.222 -0.312
82 HA TRP 12 HA TRP 12 -6.291 -0.953 1.432
83 1HB TRP 12 1HB TRP 12 -8.086 -0.907 2.745
84 2HB TRP 12 2HB TRP 12 -9.043 -0.394 1.348
85 HD1 TRP 12 HD TRP 12 -11.073 -1.810 0.944
86 HE1 TRP 12 1HE TRP 12 -11.826 -4.200 1.399
87 HE3 TRP 12 3HE TRP 12 -6.785 -3.615 3.079
88 HZ2 TRP 12 2HZ TRP 12 -10.712 -6.611 2.550
89 HZ3 TRP 12 3HZ TRP 12 -6.669 -5.959 3.841
90 HH2 TRP 12 HH TRP 12 -8.618 -7.467 3.585
91 H LYS 13 H LYS 13 -8.246 -2.443 -1.152
92 HA LYS 13 HA LYS 13 -7.570 -5.150 -0.428
93 1HB LYS 13 1HB LYS 13 -9.382 -3.906 -2.126
94 2HB LYS 13 2HB LYS 13 -8.224 -4.658 -3.250
95 1HG LYS 13 1HG LYS 13 -8.456 -6.767 -1.745
96 2HG LYS 13 2HG LYS 13 -9.917 -5.975 -1.107
97 1HD LYS 13 1HD LYS 13 -11.095 -6.383 -3.004
98 2HD LYS 13 2HD LYS 13 -9.738 -5.902 -4.050
99 1HE LYS 13 1HE LYS 13 -8.658 -8.084 -3.673
100 2HE LYS 13 2HE LYS 13 -9.983 -8.565 -2.592
101 1HZ LYS 13 1HZ LYS 13 -10.267 -9.430 -4.793
102 2HZ LYS 13 2HZ LYS 13 -11.477 -8.367 -4.438
103 3HZ LYS 13 3HZ LYS 13 -10.250 -7.915 -5.442
104 H LEU 14 H LEU 14 -6.099 -2.608 -2.391
105 HA LEU 14 HA LEU 14 -4.317 -4.302 -3.860
106 1HB LEU 14 1HB LEU 14 -4.780 -1.428 -3.423
107 2HB LEU 14 2HB LEU 14 -3.063 -1.841 -3.647
108 HG LEU 14 HG LEU 14 -4.791 -1.438 -5.715
109 1HD1 LEU 14 1HD1 LEU 14 -2.899 -3.624 -6.290
110 2HD1 LEU 14 2HD1 LEU 14 -2.942 -1.960 -6.921
111 3HD1 LEU 14 3HD1 LEU 14 -2.173 -2.296 -5.352
112 1HD2 LEU 14 1HD2 LEU 14 -5.973 -3.284 -6.325
113 2HD2 LEU 14 2HD2 LEU 14 -4.647 -4.388 -5.886
114 3HD2 LEU 14 3HD2 LEU 14 -5.758 -3.787 -4.631
115 H LEU 15 H LEU 15 -4.007 -2.418 -0.813
116 HA LEU 15 HA LEU 15 -1.286 -3.009 -0.326
117 1HB LEU 15 1HB LEU 15 -3.645 -2.328 1.449
118 2HB LEU 15 2HB LEU 15 -2.019 -2.612 2.116
119 HG LEU 15 HG LEU 15 -2.832 -0.517 0.061
120 1HD1 LEU 15 1HD1 LEU 15 -2.098 1.060 1.765
121 2HD1 LEU 15 2HD1 LEU 15 -3.272 -0.060 2.499
122 3HD1 LEU 15 3HD1 LEU 15 -1.531 -0.269 2.805
123 1HD2 LEU 15 1HD2 LEU 15 -0.300 0.106 0.459
124 2HD2 LEU 15 2HD2 LEU 15 -0.147 -1.611 0.904
125 3HD2 LEU 15 3HD2 LEU 15 -0.721 -1.160 -0.719
126 H LYS 16 H LYS 16 -4.079 -5.030 -0.299
127 HA LYS 16 HA LYS 16 -3.226 -6.907 1.700
128 1HB LYS 16 1HB LYS 16 -5.534 -6.468 0.327
129 2HB LYS 16 2HB LYS 16 -4.885 -7.855 -0.579
130 1HG LYS 16 1HG LYS 16 -4.681 -8.061 2.381
131 2HG LYS 16 2HG LYS 16 -6.336 -8.086 1.729
132 1HD LYS 16 1HD LYS 16 -5.185 -9.771 -0.028
133 2HD LYS 16 2HD LYS 16 -4.099 -10.045 1.356
134 1HE LYS 16 1HE LYS 16 -6.429 -10.149 2.674
135 2HE LYS 16 2HE LYS 16 -7.029 -10.626 1.071
136 1HZ LYS 16 1HZ LYS 16 -6.403 -12.607 1.837
137 2HZ LYS 16 2HZ LYS 16 -4.932 -12.155 1.245
138 3HZ LYS 16 3HZ LYS 16 -5.250 -12.018 2.857
139 H LYS 17 H LYS 17 -1.447 -5.994 -0.757
140 HA LYS 17 HA LYS 17 -0.038 -8.500 -0.949
141 1HB LYS 17 1HB LYS 17 -1.292 -9.336 -2.651
142 2HB LYS 17 2HB LYS 17 -1.993 -7.749 -3.049
143 1HG LYS 17 1HG LYS 17 0.871 -8.564 -3.695
144 2HG LYS 17 2HG LYS 17 -0.482 -8.674 -4.846
145 1HD LYS 17 1HD LYS 17 -0.651 -6.075 -3.772
146 2HD LYS 17 2HD LYS 17 1.086 -6.344 -4.052
147 1HE LYS 17 1HE LYS 17 0.283 -7.319 -6.358
148 2HE LYS 17 2HE LYS 17 -1.199 -6.396 -6.027
149 1HZ LYS 17 1HZ LYS 17 1.343 -5.478 -6.838
150 2HZ LYS 17 2HZ LYS 17 -0.112 -4.702 -6.854
151 3HZ LYS 17 3HZ LYS 17 0.816 -4.685 -5.491
152 H TRP 18 H TRP 18 -0.644 -5.177 -2.036
153 HA TRP 18 HA TRP 18 1.978 -4.843 -3.215
154 1HB TRP 18 1HB TRP 18 -0.403 -3.521 -3.355
155 2HB TRP 18 2HB TRP 18 0.486 -2.480 -2.235
156 HD1 TRP 18 HD TRP 18 -0.143 -2.899 -5.773
157 HE1 TRP 18 1HE TRP 18 1.542 -1.664 -7.229
158 HE3 TRP 18 3HE TRP 18 3.439 -1.956 -2.240
159 HZ2 TRP 18 2HZ TRP 18 4.134 -0.416 -6.911
160 HZ3 TRP 18 3HZ TRP 18 5.499 -0.744 -2.854
161 HH2 TRP 18 HH TRP 18 5.861 0.031 -5.179
162 H LYS 19 H LYS 19 0.423 -3.948 -0.101
163 HA LYS 19 HA LYS 19 2.389 -2.447 1.086
164 1HB LYS 19 1HB LYS 19 1.316 -2.916 3.061
165 2HB LYS 19 2HB LYS 19 0.093 -3.561 1.940
166 1HG LYS 19 1HG LYS 19 1.105 -5.816 2.142
167 2HG LYS 19 2HG LYS 19 2.314 -5.168 3.276
168 1HD LYS 19 1HD LYS 19 0.531 -4.522 4.842
169 2HD LYS 19 2HD LYS 19 -0.705 -5.093 3.696
170 1HE LYS 19 1HE LYS 19 0.055 -7.371 3.890
171 2HE LYS 19 2HE LYS 19 1.497 -6.874 4.802
172 1HZ LYS 19 1HZ LYS 19 -0.795 -7.682 5.880
173 2HZ LYS 19 2HZ LYS 19 0.340 -6.771 6.656
174 3HZ LYS 19 3HZ LYS 19 -0.967 -6.044 5.961
175 H MET 20 H MET 20 2.299 -6.030 0.809
176 HA MET 20 HA MET 20 4.346 -6.909 2.297
177 1HB MET 20 1HB MET 20 3.463 -8.530 0.894
178 2HB MET 20 2HB MET 20 3.570 -7.493 -0.548
179 1HG MET 20 1HG MET 20 6.215 -7.756 0.347
180 2HG MET 20 2HG MET 20 5.517 -9.371 0.552
181 1HE MET 20 1HE MET 20 6.116 -6.650 -2.828
182 2HE MET 20 2HE MET 20 4.461 -7.209 -3.169
183 3HE MET 20 3HE MET 20 4.848 -6.486 -1.590
184 H ARG 21 H ARG 21 4.696 -4.868 -0.607
185 HA ARG 21 HA ARG 21 7.626 -4.761 -0.112
186 1HB ARG 21 1HB ARG 21 5.910 -4.739 -2.489
187 2HB ARG 21 2HB ARG 21 7.071 -3.390 -2.475
188 1HG ARG 21 1HG ARG 21 7.828 -5.684 -3.479
189 2HG ARG 21 2HG ARG 21 8.934 -4.830 -2.376
190 1HD ARG 21 1HD ARG 21 8.762 -6.433 -0.782
191 2HD ARG 21 2HD ARG 21 7.002 -6.572 -0.988
192 HE ARG 21 HE ARG 21 7.952 -7.787 -3.239
193 1HH1 ARG 21 2HH2 ARG 21 8.695 -8.105 0.203
194 2HH1 ARG 21 1HH2 ARG 21 9.119 -9.799 0.095
195 1HH2 ARG 21 2HH1 ARG 21 8.512 -10.025 -3.381
196 2HH2 ARG 21 1HH1 ARG 21 9.014 -10.893 -1.949
197 H ARG 22 H ARG 22 4.664 -2.799 -0.509
198 HA ARG 22 HA ARG 22 6.085 -0.295 -0.099
199 1HB ARG 22 1HB ARG 22 4.014 -0.502 -1.475
200 2HB ARG 22 2HB ARG 22 3.108 -0.924 -0.003
201 1HG ARG 22 1HG ARG 22 4.579 1.411 0.638
202 2HG ARG 22 2HG ARG 22 3.895 1.697 -0.981
203 1HD ARG 22 1HD ARG 22 2.383 2.371 0.933
204 2HD ARG 22 2HD ARG 22 1.664 1.212 -0.206
205 HE ARG 22 HE ARG 22 2.827 -0.351 1.777
206 1HH1 ARG 22 2HH2 ARG 22 0.423 2.236 1.608
207 2HH1 ARG 22 1HH2 ARG 22 -0.484 1.669 2.993
208 1HH2 ARG 22 2HH1 ARG 22 1.628 -1.099 3.606
209 2HH2 ARG 22 1HH1 ARG 22 0.203 -0.232 4.131
210 H ASN 23 H ASN 23 6.205 -2.557 1.950
211 HA ASN 23 HA ASN 23 5.657 -0.820 4.271
212 1HB ASN 23 1HB ASN 23 3.858 -2.817 3.534
213 2HB ASN 23 2HB ASN 23 4.867 -3.596 4.772
214 1HD2 ASN 23 1HD2 ASN 23 2.273 -3.259 5.437
215 2HD2 ASN 23 2HD2 ASN 23 2.073 -1.946 6.577
216 H GLN 24 H GLN 24 7.931 -2.159 2.607
217 HA GLN 24 HA GLN 24 9.435 -3.039 4.998
218 1HB GLN 24 1HB GLN 24 9.055 -4.611 2.430
219 2HB GLN 24 2HB GLN 24 10.415 -4.898 3.541
220 1HG GLN 24 1HG GLN 24 8.338 -4.872 5.306
221 2HG GLN 24 2HG GLN 24 7.519 -5.510 3.864
222 1HE2 GLN 24 1HE2 GLN 24 7.323 -7.467 5.302
223 2HE2 GLN 24 2HE2 GLN 24 8.646 -8.613 5.301
224 H PHE 25 H PHE 25 10.738 -3.705 1.862
225 HA PHE 25 HA PHE 25 12.922 -1.922 2.227
226 1HB PHE 25 1HB PHE 25 13.614 -3.463 0.750
227 2HB PHE 25 2HB PHE 25 11.958 -3.853 0.254
228 HD1 PHE 25 1HD PHE 25 10.864 -1.617 -1.043
229 HD2 PHE 25 2HD PHE 25 14.967 -2.890 -1.028
230 HE1 PHE 25 1HE PHE 25 11.234 -0.451 -3.200
231 HE2 PHE 25 2HE PHE 25 15.337 -1.724 -3.186
232 HZ PHE 25 HZ PHE 25 13.470 -0.504 -4.271
233 H TRP 26 H TRP 26 9.728 -1.208 1.570
234 HA TRP 26 HA TRP 26 10.225 0.937 -0.359
235 1HB TRP 26 1HB TRP 26 7.941 -0.465 0.827
236 2HB TRP 26 2HB TRP 26 7.691 1.282 0.718
237 HD1 TRP 26 HD TRP 26 7.964 -1.848 -1.380
238 HE1 TRP 26 1HE TRP 26 7.312 -1.365 -3.794
239 HE3 TRP 26 3HE TRP 26 7.695 3.257 -1.137
240 HZ2 TRP 26 2HZ TRP 26 6.742 0.952 -5.432
241 HZ3 TRP 26 3HZ TRP 26 7.096 4.566 -3.141
242 HH2 TRP 26 HH TRP 26 6.618 3.432 -5.291
243 H VAL 27 H VAL 27 8.572 0.968 2.843
244 HA VAL 27 HA VAL 27 8.522 3.494 3.572
245 HB VAL 27 HB VAL 27 9.049 2.884 5.859
246 1HG1 VAL 27 1HG1 VAL 27 7.053 1.826 4.545
247 2HG1 VAL 27 2HG1 VAL 27 8.007 0.325 4.619
248 3HG1 VAL 27 3HG1 VAL 27 7.495 1.129 6.122
249 1HG2 VAL 27 1HG2 VAL 27 9.943 0.299 5.915
250 2HG2 VAL 27 2HG2 VAL 27 10.783 0.907 4.468
251 3HG2 VAL 27 3HG2 VAL 27 11.009 1.720 6.035
252 H LYS 28 H LYS 28 11.571 1.687 3.161
253 HA LYS 28 HA LYS 28 13.261 3.811 4.105
254 1HB LYS 28 1HB LYS 28 13.690 1.319 2.433
255 2HB LYS 28 2HB LYS 28 15.012 2.454 2.795
256 1HG LYS 28 1HG LYS 28 13.239 1.344 4.990
257 2HG LYS 28 2HG LYS 28 14.665 0.451 4.411
258 1HD LYS 28 1HD LYS 28 15.152 3.324 4.952
259 2HD LYS 28 2HD LYS 28 14.718 2.366 6.389
260 1HE LYS 28 1HE LYS 28 16.621 0.994 4.610
261 2HE LYS 28 2HE LYS 28 17.249 2.529 5.249
262 1HZ LYS 28 1HZ LYS 28 17.075 1.780 7.374
263 2HZ LYS 28 2HZ LYS 28 15.960 0.617 7.024
264 3HZ LYS 28 3HZ LYS 28 17.536 0.406 6.588
265 H VAL 29 H VAL 29 12.062 2.778 0.890
266 HA VAL 29 HA VAL 29 13.587 4.436 -0.745
267 HB VAL 29 HB VAL 29 11.723 4.283 -2.329
268 1HG1 VAL 29 1HG1 VAL 29 11.228 1.695 -1.844
269 2HG1 VAL 29 2HG1 VAL 29 12.833 2.251 -2.376
270 3HG1 VAL 29 3HG1 VAL 29 12.530 1.925 -0.653
271 1HG2 VAL 29 1HG2 VAL 29 9.594 4.320 -1.593
272 2HG2 VAL 29 2HG2 VAL 29 9.847 2.765 -0.764
273 3HG2 VAL 29 3HG2 VAL 29 10.180 4.292 0.087
274 H GLN 30 H GLN 30 11.499 5.354 1.782
275 HA GLN 30 HA GLN 30 10.813 7.953 0.579
276 1HB GLN 30 1HB GLN 30 10.280 7.251 3.449
277 2HB GLN 30 2HB GLN 30 9.276 8.159 2.294
278 1HG GLN 30 1HG GLN 30 9.734 5.422 1.386
279 2HG GLN 30 2HG GLN 30 9.003 5.449 3.005
280 1HE2 GLN 30 1HE2 GLN 30 8.702 7.209 -0.140
281 2HE2 GLN 30 2HE2 GLN 30 6.951 7.219 -0.159
282 H ARG 31 H ARG 31 12.627 6.647 3.408
283 HA ARG 31 HA ARG 31 14.044 7.801 4.855
284 1HB ARG 31 1HB ARG 31 15.529 6.863 3.189
285 2HB ARG 31 2HB ARG 31 15.210 8.216 2.077
286 1HG ARG 31 1HG ARG 31 16.065 9.180 4.697
287 2HG ARG 31 2HG ARG 31 17.264 8.065 3.997
288 1HD ARG 31 1HD ARG 31 16.537 9.595 1.813
289 2HD ARG 31 2HD ARG 31 16.468 10.778 3.137
290 HE ARG 31 HE ARG 31 18.865 9.419 3.508
291 1HH1 ARG 31 2HH2 ARG 31 17.335 11.298 0.933
292 2HH1 ARG 31 1HH2 ARG 31 18.847 11.890 0.280
293 1HH2 ARG 31 2HH1 ARG 31 20.861 10.200 2.645
294 2HH2 ARG 31 1HH1 ARG 31 20.857 11.264 1.256
295 H GLY 32 H GLY 32 12.688 9.475 5.668
296 1HA GLY 32 1HA GLY 32 13.665 12.097 5.304
297 2HA GLY 32 2HA GLY 32 12.196 11.923 4.316
Start of MODEL 23
1 HA PRO 1 HA PRO 1 -18.892 0.131 2.584
2 1HB PRO 1 1HB PRO 1 -19.625 2.623 1.759
3 2HB PRO 1 2HB PRO 1 -20.671 1.191 1.486
4 1HG PRO 1 1HG PRO 1 -20.845 3.188 3.761
5 2HG PRO 1 2HG PRO 1 -22.169 2.663 2.671
6 1HD PRO 1 1HD PRO 1 -21.800 1.513 5.115
7 2HD PRO 1 2HD PRO 1 -22.254 0.514 3.701
8 HA PRO 2 HA PRO 2 -15.662 2.383 4.557
9 1HB PRO 2 1HB PRO 2 -14.100 3.108 2.446
10 2HB PRO 2 2HB PRO 2 -14.343 1.388 2.896
11 1HG PRO 2 1HG PRO 2 -15.851 2.968 0.794
12 2HG PRO 2 2HG PRO 2 -15.037 1.384 0.588
13 1HD PRO 2 1HD PRO 2 -17.707 1.553 1.108
14 2HD PRO 2 2HD PRO 2 -16.711 0.281 1.879
15 H LEU 3 H LEU 3 -18.176 3.790 2.969
16 HA LEU 3 HA LEU 3 -18.993 5.943 3.139
17 1HB LEU 3 1HB LEU 3 -16.869 5.973 4.967
18 2HB LEU 3 2HB LEU 3 -16.548 7.354 3.890
19 HG LEU 3 HG LEU 3 -19.357 7.323 4.413
20 1HD1 LEU 3 1HD1 LEU 3 -18.961 7.790 7.003
21 2HD1 LEU 3 2HD1 LEU 3 -19.263 6.138 6.413
22 3HD1 LEU 3 3HD1 LEU 3 -17.601 6.666 6.769
23 1HD2 LEU 3 1HD2 LEU 3 -17.086 9.085 5.431
24 2HD2 LEU 3 2HD2 LEU 3 -17.998 9.308 3.919
25 3HD2 LEU 3 3HD2 LEU 3 -18.814 9.510 5.488
26 H SER 4 H SER 4 -16.776 4.675 1.128
27 HA SER 4 HA SER 4 -17.000 6.961 -0.718
28 1HB SER 4 1HB SER 4 -14.782 7.021 0.649
29 2HB SER 4 2HB SER 4 -14.316 5.622 -0.347
30 HG SER 4 HG SER 4 -15.237 8.112 -1.354
31 H GLN 5 H GLN 5 -14.908 5.579 -2.418
32 HA GLN 5 HA GLN 5 -15.511 2.928 -2.987
33 1HB GLN 5 1HB GLN 5 -17.113 3.282 -4.953
34 2HB GLN 5 2HB GLN 5 -17.818 3.420 -3.325
35 1HG GLN 5 1HG GLN 5 -17.293 5.950 -3.527
36 2HG GLN 5 2HG GLN 5 -17.080 5.632 -5.262
37 1HE2 GLN 5 1HE2 GLN 5 -19.002 7.371 -4.842
38 2HE2 GLN 5 2HE2 GLN 5 -20.599 6.661 -4.933
39 H GLU 6 H GLU 6 -15.181 6.167 -4.505
40 HA GLU 6 HA GLU 6 -14.072 5.728 -6.903
41 1HB GLU 6 1HB GLU 6 -13.896 7.758 -4.938
42 2HB GLU 6 2HB GLU 6 -12.227 7.434 -5.464
43 1HG GLU 6 1HG GLU 6 -13.087 7.547 -7.860
44 2HG GLU 6 2HG GLU 6 -14.619 8.156 -7.197
45 H THR 7 H THR 7 -11.760 6.001 -4.160
46 HA THR 7 HA THR 7 -9.914 4.234 -5.591
47 HB THR 7 HB THR 7 -9.213 5.028 -2.849
48 HG1 THR 7 1HG THR 7 -9.774 7.029 -2.986
49 1HG2 THR 7 1HG2 THR 7 -8.002 5.728 -5.555
50 2HG2 THR 7 2HG2 THR 7 -7.191 5.768 -3.971
51 3HG2 THR 7 3HG2 THR 7 -7.678 4.211 -4.681
52 H PHE 8 H PHE 8 -10.228 4.182 -2.074
53 HA PHE 8 HA PHE 8 -9.884 1.994 -1.022
54 1HB PHE 8 1HB PHE 8 -12.869 2.242 -1.322
55 2HB PHE 8 2HB PHE 8 -11.919 1.802 0.107
56 HD1 PHE 8 1HD PHE 8 -11.894 4.728 -2.260
57 HD2 PHE 8 2HD PHE 8 -12.161 3.354 1.801
58 HE1 PHE 8 1HE PHE 8 -11.992 7.078 -1.472
59 HE2 PHE 8 2HE PHE 8 -12.258 5.704 2.589
60 HZ PHE 8 HZ PHE 8 -12.174 7.565 0.953
61 H SER 9 H SER 9 -12.666 1.774 -3.320
62 HA SER 9 HA SER 9 -13.007 -0.873 -3.597
63 1HB SER 9 1HB SER 9 -14.040 0.979 -4.986
64 2HB SER 9 2HB SER 9 -12.591 0.918 -6.018
65 HG SER 9 HG SER 9 -13.170 -0.997 -6.750
66 H ASP 10 H ASP 10 -10.511 0.861 -5.555
67 HA ASP 10 HA ASP 10 -9.140 -1.728 -5.954
68 1HB ASP 10 1HB ASP 10 -9.051 0.991 -7.260
69 2HB ASP 10 2HB ASP 10 -7.708 -0.154 -7.474
70 H LEU 11 H LEU 11 -8.879 1.350 -4.265
71 HA LEU 11 HA LEU 11 -6.075 1.254 -3.731
72 1HB LEU 11 1HB LEU 11 -8.043 3.092 -3.378
73 2HB LEU 11 2HB LEU 11 -7.897 2.471 -1.716
74 HG LEU 11 HG LEU 11 -5.393 2.808 -1.906
75 1HD1 LEU 11 1HD1 LEU 11 -6.093 3.237 -4.629
76 2HD1 LEU 11 2HD1 LEU 11 -5.536 4.805 -3.998
77 3HD1 LEU 11 3HD1 LEU 11 -4.481 3.376 -3.887
78 1HD2 LEU 11 1HD2 LEU 11 -5.922 4.684 -0.776
79 2HD2 LEU 11 2HD2 LEU 11 -6.103 5.536 -2.328
80 3HD2 LEU 11 3HD2 LEU 11 -7.511 4.747 -1.576
81 H TRP 12 H TRP 12 -8.792 0.682 -1.420
82 HA TRP 12 HA TRP 12 -7.299 -0.508 0.593
83 1HB TRP 12 1HB TRP 12 -9.323 -0.627 1.506
84 2HB TRP 12 2HB TRP 12 -10.009 -0.104 -0.038
85 HD1 TRP 12 HD TRP 12 -11.820 -1.614 -0.890
86 HE1 TRP 12 1HE TRP 12 -12.479 -4.066 -0.693
87 HE3 TRP 12 3HE TRP 12 -7.920 -3.270 1.982
88 HZ2 TRP 12 2HZ TRP 12 -11.448 -6.464 0.557
89 HZ3 TRP 12 3HZ TRP 12 -7.793 -5.641 2.655
90 HH2 TRP 12 HH TRP 12 -9.544 -7.247 1.953
91 H LYS 13 H LYS 13 -8.619 -1.967 -2.387
92 HA LYS 13 HA LYS 13 -7.897 -4.661 -1.661
93 1HB LYS 13 1HB LYS 13 -9.608 -3.713 -3.436
94 2HB LYS 13 2HB LYS 13 -8.187 -3.726 -4.508
95 1HG LYS 13 1HG LYS 13 -7.919 -6.179 -3.387
96 2HG LYS 13 2HG LYS 13 -9.688 -6.006 -3.291
97 1HD LYS 13 1HD LYS 13 -9.305 -5.120 -5.817
98 2HD LYS 13 2HD LYS 13 -7.911 -6.218 -5.688
99 1HE LYS 13 1HE LYS 13 -9.292 -8.093 -5.217
100 2HE LYS 13 2HE LYS 13 -10.696 -7.069 -4.845
101 1HZ LYS 13 1HZ LYS 13 -11.060 -7.902 -6.947
102 2HZ LYS 13 2HZ LYS 13 -10.529 -6.365 -7.224
103 3HZ LYS 13 3HZ LYS 13 -9.512 -7.643 -7.455
104 H LEU 14 H LEU 14 -6.293 -1.941 -3.264
105 HA LEU 14 HA LEU 14 -4.159 -3.413 -4.447
106 1HB LEU 14 1HB LEU 14 -4.896 -0.622 -3.942
107 2HB LEU 14 2HB LEU 14 -3.144 -0.899 -3.791
108 HG LEU 14 HG LEU 14 -4.339 -0.431 -6.169
109 1HD1 LEU 14 1HD1 LEU 14 -1.857 -1.350 -5.246
110 2HD1 LEU 14 2HD1 LEU 14 -2.324 -2.535 -6.489
111 3HD1 LEU 14 3HD1 LEU 14 -2.231 -0.806 -6.899
112 1HD2 LEU 14 1HD2 LEU 14 -5.433 -2.891 -5.472
113 2HD2 LEU 14 2HD2 LEU 14 -5.340 -2.229 -7.122
114 3HD2 LEU 14 3HD2 LEU 14 -4.080 -3.342 -6.537
115 H LEU 15 H LEU 15 -4.470 -1.708 -1.290
116 HA LEU 15 HA LEU 15 -1.861 -2.255 -0.359
117 1HB LEU 15 1HB LEU 15 -4.512 -1.583 0.880
118 2HB LEU 15 2HB LEU 15 -3.197 -2.143 1.941
119 HG LEU 15 HG LEU 15 -2.856 0.084 -0.105
120 1HD1 LEU 15 1HD1 LEU 15 -3.813 0.108 2.760
121 2HD1 LEU 15 2HD1 LEU 15 -2.851 1.469 2.137
122 3HD1 LEU 15 3HD1 LEU 15 -4.401 1.049 1.369
123 1HD2 LEU 15 1HD2 LEU 15 -1.254 -0.698 2.368
124 2HD2 LEU 15 2HD2 LEU 15 -0.821 -1.143 0.700
125 3HD2 LEU 15 3HD2 LEU 15 -0.839 0.568 1.188
126 H LYS 16 H LYS 16 -4.544 -4.351 -0.922
127 HA LYS 16 HA LYS 16 -4.070 -6.311 1.087
128 1HB LYS 16 1HB LYS 16 -6.030 -5.947 -0.662
129 2HB LYS 16 2HB LYS 16 -5.051 -7.052 -1.656
130 1HG LYS 16 1HG LYS 16 -5.063 -8.729 0.121
131 2HG LYS 16 2HG LYS 16 -5.918 -7.613 1.212
132 1HD LYS 16 1HD LYS 16 -7.931 -8.031 0.242
133 2HD LYS 16 2HD LYS 16 -7.249 -7.975 -1.401
134 1HE LYS 16 1HE LYS 16 -6.596 -10.305 0.395
135 2HE LYS 16 2HE LYS 16 -8.177 -10.250 -0.414
136 1HZ LYS 16 1HZ LYS 16 -5.525 -10.461 -1.575
137 2HZ LYS 16 2HZ LYS 16 -6.898 -11.304 -1.927
138 3HZ LYS 16 3HZ LYS 16 -6.727 -9.750 -2.453
139 H LYS 17 H LYS 17 -1.779 -5.177 -0.792
140 HA LYS 17 HA LYS 17 -0.206 -7.587 -0.696
141 1HB LYS 17 1HB LYS 17 -0.031 -8.144 -2.953
142 2HB LYS 17 2HB LYS 17 -1.760 -7.748 -2.812
143 1HG LYS 17 1HG LYS 17 -0.874 -6.618 -4.775
144 2HG LYS 17 2HG LYS 17 -1.209 -5.393 -3.527
145 1HD LYS 17 1HD LYS 17 0.981 -4.832 -3.346
146 2HD LYS 17 2HD LYS 17 1.497 -6.535 -3.319
147 1HE LYS 17 1HE LYS 17 1.470 -6.686 -5.701
148 2HE LYS 17 2HE LYS 17 0.573 -5.161 -5.862
149 1HZ LYS 17 1HZ LYS 17 2.752 -4.656 -6.341
150 2HZ LYS 17 2HZ LYS 17 2.571 -4.138 -4.786
151 3HZ LYS 17 3HZ LYS 17 3.366 -5.549 -5.098
152 H TRP 18 H TRP 18 -0.761 -4.223 -1.322
153 HA TRP 18 HA TRP 18 2.070 -3.698 -1.933
154 1HB TRP 18 1HB TRP 18 -0.339 -2.490 -2.598
155 2HB TRP 18 2HB TRP 18 0.323 -1.416 -1.358
156 HD1 TRP 18 HD TRP 18 0.253 -1.721 -4.908
157 HE1 TRP 18 1HE TRP 18 2.197 -0.559 -6.072
158 HE3 TRP 18 3HE TRP 18 3.359 -1.121 -0.885
159 HZ2 TRP 18 2HZ TRP 18 4.791 0.505 -5.355
160 HZ3 TRP 18 3HZ TRP 18 5.555 -0.031 -1.164
161 HH2 TRP 18 HH TRP 18 6.285 0.786 -3.386
162 H LYS 19 H LYS 19 -0.354 -3.045 0.638
163 HA LYS 19 HA LYS 19 0.977 -1.466 2.389
164 1HB LYS 19 1HB LYS 19 -1.233 -2.970 2.568
165 2HB LYS 19 2HB LYS 19 -0.149 -3.989 3.545
166 1HG LYS 19 1HG LYS 19 0.488 -1.573 4.578
167 2HG LYS 19 2HG LYS 19 -1.186 -1.233 4.078
168 1HD LYS 19 1HD LYS 19 -2.024 -2.479 5.767
169 2HD LYS 19 2HD LYS 19 -0.965 -3.850 5.360
170 1HE LYS 19 1HE LYS 19 0.582 -1.673 6.504
171 2HE LYS 19 2HE LYS 19 -0.753 -2.119 7.588
172 1HZ LYS 19 1HZ LYS 19 1.360 -3.851 6.536
173 2HZ LYS 19 2HZ LYS 19 1.040 -3.476 8.110
174 3HZ LYS 19 3HZ LYS 19 0.003 -4.440 7.265
175 H MET 20 H MET 20 1.441 -5.044 2.217
176 HA MET 20 HA MET 20 3.289 -5.548 4.093
177 1HB MET 20 1HB MET 20 4.517 -6.872 2.115
178 2HB MET 20 2HB MET 20 2.926 -7.373 2.737
179 1HG MET 20 1HG MET 20 1.915 -6.892 0.793
180 2HG MET 20 2HG MET 20 2.664 -5.289 0.724
181 1HE MET 20 1HE MET 20 3.739 -4.515 -0.737
182 2HE MET 20 2HE MET 20 5.261 -5.131 -1.425
183 3HE MET 20 3HE MET 20 3.737 -5.320 -2.325
184 H ARG 21 H ARG 21 4.052 -3.941 0.964
185 HA ARG 21 HA ARG 21 6.750 -3.307 1.992
186 1HB ARG 21 1HB ARG 21 5.412 -3.435 -0.681
187 2HB ARG 21 2HB ARG 21 6.735 -2.261 -0.481
188 1HG ARG 21 1HG ARG 21 7.284 -4.731 -1.225
189 2HG ARG 21 2HG ARG 21 8.318 -3.924 -0.022
190 1HD ARG 21 1HD ARG 21 6.943 -4.966 1.792
191 2HD ARG 21 2HD ARG 21 6.022 -5.842 0.550
192 HE ARG 21 HE ARG 21 8.738 -6.415 1.479
193 1HH1 ARG 21 2HH2 ARG 21 6.316 -6.825 -1.065
194 2HH1 ARG 21 1HH2 ARG 21 7.035 -8.286 -1.703
195 1HH2 ARG 21 2HH1 ARG 21 9.688 -8.346 0.635
196 2HH2 ARG 21 1HH1 ARG 21 8.957 -9.153 -0.734
197 H ARG 22 H ARG 22 3.680 -1.797 0.989
198 HA ARG 22 HA ARG 22 4.650 0.905 1.190
199 1HB ARG 22 1HB ARG 22 2.211 -0.486 0.494
200 2HB ARG 22 2HB ARG 22 1.850 0.837 1.629
201 1HG ARG 22 1HG ARG 22 3.678 1.251 -0.756
202 2HG ARG 22 2HG ARG 22 1.911 1.410 -0.901
203 1HD ARG 22 1HD ARG 22 2.275 3.561 -0.261
204 2HD ARG 22 2HD ARG 22 2.392 2.869 1.371
205 HE ARG 22 HE ARG 22 4.932 2.637 0.662
206 1HH1 ARG 22 2HH2 ARG 22 2.674 5.272 -0.020
207 2HH1 ARG 22 1HH2 ARG 22 3.914 6.505 -0.069
208 1HH2 ARG 22 2HH1 ARG 22 6.569 4.267 0.597
209 2HH2 ARG 22 1HH1 ARG 22 6.135 5.932 0.284
210 H ASN 23 H ASN 23 4.991 -1.114 3.513
211 HA ASN 23 HA ASN 23 4.197 0.823 5.598
212 1HB ASN 23 1HB ASN 23 2.639 -1.404 5.108
213 2HB ASN 23 2HB ASN 23 3.745 -1.984 6.371
214 1HD2 ASN 23 1HD2 ASN 23 2.409 -2.008 8.147
215 2HD2 ASN 23 2HD2 ASN 23 1.606 -0.589 8.784
216 H GLN 24 H GLN 24 6.649 -0.452 4.119
217 HA GLN 24 HA GLN 24 8.401 -0.362 6.375
218 1HB GLN 24 1HB GLN 24 9.121 -2.889 5.845
219 2HB GLN 24 2HB GLN 24 7.900 -2.496 7.079
220 1HG GLN 24 1HG GLN 24 6.097 -2.886 5.487
221 2HG GLN 24 2HG GLN 24 7.265 -3.125 4.169
222 1HE2 GLN 24 1HE2 GLN 24 5.460 -4.623 6.673
223 2HE2 GLN 24 2HE2 GLN 24 6.206 -6.205 6.606
224 H PHE 25 H PHE 25 9.114 -2.796 3.990
225 HA PHE 25 HA PHE 25 11.441 -1.952 3.021
226 1HB PHE 25 1HB PHE 25 10.543 -3.883 2.049
227 2HB PHE 25 2HB PHE 25 9.057 -3.059 1.547
228 HD1 PHE 25 1HD PHE 25 9.548 -0.966 -0.114
229 HD2 PHE 25 2HD PHE 25 12.032 -4.437 0.375
230 HE1 PHE 25 1HE PHE 25 10.515 -0.591 -2.367
231 HE2 PHE 25 2HE PHE 25 12.999 -4.062 -1.878
232 HZ PHE 25 HZ PHE 25 12.241 -2.139 -3.249
233 H TRP 26 H TRP 26 8.295 -0.576 1.949
234 HA TRP 26 HA TRP 26 9.136 1.170 -0.010
235 1HB TRP 26 1HB TRP 26 7.176 2.376 0.394
236 2HB TRP 26 2HB TRP 26 6.803 0.743 0.963
237 HD1 TRP 26 HD TRP 26 5.940 0.506 3.341
238 HE1 TRP 26 1HE TRP 26 5.593 2.040 5.345
239 HE3 TRP 26 3HE TRP 26 8.367 4.664 1.603
240 HZ2 TRP 26 2HZ TRP 26 6.281 4.745 6.110
241 HZ3 TRP 26 3HZ TRP 26 8.500 6.697 2.996
242 HH2 TRP 26 HH TRP 26 7.465 6.754 5.246
243 H VAL 27 H VAL 27 9.305 1.629 3.545
244 HA VAL 27 HA VAL 27 10.089 4.227 3.791
245 HB VAL 27 HB VAL 27 11.296 3.572 5.768
246 1HG1 VAL 27 1HG1 VAL 27 9.587 1.286 6.052
247 2HG1 VAL 27 2HG1 VAL 27 9.332 2.936 6.667
248 3HG1 VAL 27 3HG1 VAL 27 8.734 2.487 5.052
249 1HG2 VAL 27 1HG2 VAL 27 12.827 1.937 4.909
250 2HG2 VAL 27 2HG2 VAL 27 11.812 1.085 6.098
251 3HG2 VAL 27 3HG2 VAL 27 11.501 0.886 4.357
252 H LYS 28 H LYS 28 12.237 1.488 2.861
253 HA LYS 28 HA LYS 28 14.601 3.012 2.589
254 1HB LYS 28 1HB LYS 28 13.603 0.446 1.320
255 2HB LYS 28 2HB LYS 28 15.215 1.111 0.967
256 1HG LYS 28 1HG LYS 28 14.220 0.650 3.802
257 2HG LYS 28 2HG LYS 28 15.095 -0.595 2.879
258 1HD LYS 28 1HD LYS 28 16.737 1.529 2.459
259 2HD LYS 28 2HD LYS 28 16.085 1.962 4.058
260 1HE LYS 28 1HE LYS 28 16.590 -0.587 4.594
261 2HE LYS 28 2HE LYS 28 17.729 -0.425 3.240
262 1HZ LYS 28 1HZ LYS 28 17.918 1.748 5.009
263 2HZ LYS 28 2HZ LYS 28 18.136 0.326 5.815
264 3HZ LYS 28 3HZ LYS 28 19.085 0.692 4.517
265 H VAL 29 H VAL 29 11.866 2.438 0.383
266 HA VAL 29 HA VAL 29 12.890 3.272 -2.040
267 HB VAL 29 HB VAL 29 10.196 3.906 -0.774
268 1HG1 VAL 29 1HG1 VAL 29 11.115 4.017 -3.679
269 2HG1 VAL 29 2HG1 VAL 29 9.436 4.210 -3.121
270 3HG1 VAL 29 3HG1 VAL 29 10.668 5.413 -2.669
271 1HG2 VAL 29 1HG2 VAL 29 10.967 1.771 -2.799
272 2HG2 VAL 29 2HG2 VAL 29 10.937 1.478 -1.043
273 3HG2 VAL 29 3HG2 VAL 29 9.439 1.919 -1.898
274 H GLN 30 H GLN 30 12.687 5.080 0.888
275 HA GLN 30 HA GLN 30 12.888 7.657 -0.561
276 1HB GLN 30 1HB GLN 30 12.108 8.653 1.354
277 2HB GLN 30 2HB GLN 30 11.418 7.032 1.605
278 1HG GLN 30 1HG GLN 30 12.499 7.485 3.650
279 2HG GLN 30 2HG GLN 30 13.679 6.488 2.771
280 1HE2 GLN 30 1HE2 GLN 30 14.936 7.755 4.622
281 2HE2 GLN 30 2HE2 GLN 30 15.721 9.224 4.082
282 H ARG 31 H ARG 31 14.645 5.467 1.642
283 HA ARG 31 HA ARG 31 16.768 5.808 2.605
284 1HB ARG 31 1HB ARG 31 17.144 4.349 0.740
285 2HB ARG 31 2HB ARG 31 17.074 5.701 -0.415
286 1HG ARG 31 1HG ARG 31 19.241 6.265 -0.047
287 2HG ARG 31 2HG ARG 31 19.070 6.098 1.717
288 1HD ARG 31 1HD ARG 31 19.276 3.664 1.538
289 2HD ARG 31 2HD ARG 31 19.340 3.775 -0.235
290 HE ARG 31 HE ARG 31 21.523 4.157 1.599
291 1HH1 ARG 31 2HH2 ARG 31 20.138 5.299 -1.446
292 2HH1 ARG 31 1HH2 ARG 31 21.674 5.809 -2.112
293 1HH2 ARG 31 2HH1 ARG 31 23.552 4.829 0.720
294 2HH2 ARG 31 1HH1 ARG 31 23.620 5.541 -0.877
295 H GLY 32 H GLY 32 17.768 7.507 -0.304
296 1HA GLY 32 1HA GLY 32 18.651 9.763 1.348
297 2HA GLY 32 2HA GLY 32 19.012 9.481 -0.370
Start of MODEL 24
1 HA PRO 1 HA PRO 1 -7.843 10.371 2.399
2 1HB PRO 1 1HB PRO 1 -10.454 10.170 3.149
3 2HB PRO 1 2HB PRO 1 -9.169 10.633 4.312
4 1HG PRO 1 1HG PRO 1 -10.995 12.487 2.755
5 2HG PRO 1 2HG PRO 1 -10.700 12.483 4.525
6 1HD PRO 1 1HD PRO 1 -9.336 14.156 2.860
7 2HD PRO 1 2HD PRO 1 -8.501 13.357 4.227
8 HA PRO 2 HA PRO 2 -9.746 9.649 -1.506
9 1HB PRO 2 1HB PRO 2 -11.031 7.261 -1.239
10 2HB PRO 2 2HB PRO 2 -9.250 7.398 -1.083
11 1HG PRO 2 1HG PRO 2 -11.296 7.398 1.155
12 2HG PRO 2 2HG PRO 2 -9.838 6.363 1.013
13 1HD PRO 2 1HD PRO 2 -9.809 8.667 2.469
14 2HD PRO 2 2HD PRO 2 -8.400 8.212 1.464
15 H LEU 3 H LEU 3 -12.190 8.396 -2.154
16 HA LEU 3 HA LEU 3 -14.078 10.490 -1.248
17 1HB LEU 3 1HB LEU 3 -13.512 9.155 -3.741
18 2HB LEU 3 2HB LEU 3 -15.202 8.840 -3.277
19 HG LEU 3 HG LEU 3 -15.020 10.928 -4.593
20 1HD1 LEU 3 1HD1 LEU 3 -16.363 10.555 -2.198
21 2HD1 LEU 3 2HD1 LEU 3 -15.519 12.099 -1.929
22 3HD1 LEU 3 3HD1 LEU 3 -16.618 11.916 -3.317
23 1HD2 LEU 3 1HD2 LEU 3 -12.878 11.790 -4.220
24 2HD2 LEU 3 2HD2 LEU 3 -13.874 12.869 -3.215
25 3HD2 LEU 3 3HD2 LEU 3 -12.970 11.533 -2.462
26 H SER 4 H SER 4 -13.162 7.801 0.106
27 HA SER 4 HA SER 4 -14.162 6.269 1.480
28 1HB SER 4 1HB SER 4 -16.851 7.554 1.062
29 2HB SER 4 2HB SER 4 -16.130 6.890 2.548
30 HG SER 4 HG SER 4 -15.015 8.691 2.836
31 H GLN 5 H GLN 5 -14.471 4.220 0.858
32 HA GLN 5 HA GLN 5 -15.491 2.402 -0.129
33 1HB GLN 5 1HB GLN 5 -17.707 2.809 -0.203
34 2HB GLN 5 2HB GLN 5 -17.453 4.539 -0.536
35 1HG GLN 5 1HG GLN 5 -17.182 4.132 -2.890
36 2HG GLN 5 2HG GLN 5 -17.095 2.375 -2.640
37 1HE2 GLN 5 1HE2 GLN 5 -19.102 4.931 -3.529
38 2HE2 GLN 5 2HE2 GLN 5 -20.656 4.163 -3.284
39 H GLU 6 H GLU 6 -15.283 5.279 -2.291
40 HA GLU 6 HA GLU 6 -14.946 4.151 -4.741
41 1HB GLU 6 1HB GLU 6 -13.590 6.463 -3.368
42 2HB GLU 6 2HB GLU 6 -13.077 5.994 -5.006
43 1HG GLU 6 1HG GLU 6 -15.922 6.656 -4.143
44 2HG GLU 6 2HG GLU 6 -14.851 7.709 -5.093
45 H THR 7 H THR 7 -12.406 4.385 -2.202
46 HA THR 7 HA THR 7 -10.659 2.664 -3.855
47 HB THR 7 HB THR 7 -9.619 3.413 -1.241
48 HG1 THR 7 1HG THR 7 -10.585 5.457 -2.962
49 1HG2 THR 7 1HG2 THR 7 -8.404 2.744 -3.386
50 2HG2 THR 7 2HG2 THR 7 -8.814 4.356 -4.019
51 3HG2 THR 7 3HG2 THR 7 -7.782 4.202 -2.577
52 H PHE 8 H PHE 8 -10.491 2.618 -0.357
53 HA PHE 8 HA PHE 8 -10.156 0.454 0.695
54 1HB PHE 8 1HB PHE 8 -13.149 0.787 0.703
55 2HB PHE 8 2HB PHE 8 -12.071 0.323 2.030
56 HD1 PHE 8 1HD PHE 8 -12.182 3.237 -0.350
57 HD2 PHE 8 2HD PHE 8 -12.104 1.889 3.728
58 HE1 PHE 8 1HE PHE 8 -12.123 5.592 0.428
59 HE2 PHE 8 2HE PHE 8 -12.046 4.243 4.505
60 HZ PHE 8 HZ PHE 8 -12.055 6.095 2.855
61 H SER 9 H SER 9 -13.188 0.270 -1.263
62 HA SER 9 HA SER 9 -13.602 -2.372 -1.475
63 1HB SER 9 1HB SER 9 -14.757 -0.505 -2.749
64 2HB SER 9 2HB SER 9 -13.447 -0.616 -3.950
65 HG SER 9 HG SER 9 -14.089 -2.614 -4.488
66 H ASP 10 H ASP 10 -11.309 -0.687 -3.705
67 HA ASP 10 HA ASP 10 -9.979 -3.312 -4.127
68 1HB ASP 10 1HB ASP 10 -10.032 -0.729 -5.724
69 2HB ASP 10 2HB ASP 10 -8.955 -2.092 -6.098
70 H LEU 11 H LEU 11 -9.667 -0.197 -2.637
71 HA LEU 11 HA LEU 11 -6.816 0.030 -2.690
72 1HB LEU 11 1HB LEU 11 -8.782 1.710 -2.025
73 2HB LEU 11 2HB LEU 11 -8.433 1.085 -0.395
74 HG LEU 11 HG LEU 11 -6.659 2.644 -2.269
75 1HD1 LEU 11 1HD1 LEU 11 -6.939 4.158 -0.625
76 2HD1 LEU 11 2HD1 LEU 11 -7.942 2.998 0.279
77 3HD1 LEU 11 3HD1 LEU 11 -6.181 3.037 0.532
78 1HD2 LEU 11 1HD2 LEU 11 -5.827 0.493 -0.309
79 2HD2 LEU 11 2HD2 LEU 11 -5.214 0.811 -1.949
80 3HD2 LEU 11 3HD2 LEU 11 -4.777 1.898 -0.609
81 H TRP 12 H TRP 12 -8.913 -0.725 0.152
82 HA TRP 12 HA TRP 12 -6.904 -1.729 1.790
83 1HB TRP 12 1HB TRP 12 -8.646 -1.978 3.150
84 2HB TRP 12 2HB TRP 12 -9.703 -1.529 1.805
85 HD1 TRP 12 HD TRP 12 -11.545 -3.176 1.374
86 HE1 TRP 12 1HE TRP 12 -11.976 -5.661 1.732
87 HE3 TRP 12 3HE TRP 12 -7.007 -4.507 3.331
88 HZ2 TRP 12 2HZ TRP 12 -10.533 -7.956 2.746
89 HZ3 TRP 12 3HZ TRP 12 -6.573 -6.848 3.980
90 HH2 TRP 12 HH TRP 12 -8.321 -8.580 3.695
91 H LYS 13 H LYS 13 -8.721 -3.350 -0.814
92 HA LYS 13 HA LYS 13 -7.676 -5.973 -0.229
93 1HB LYS 13 1HB LYS 13 -9.675 -4.883 -1.848
94 2HB LYS 13 2HB LYS 13 -8.472 -5.499 -3.006
95 1HG LYS 13 1HG LYS 13 -8.538 -7.540 -1.168
96 2HG LYS 13 2HG LYS 13 -10.225 -6.974 -1.118
97 1HD LYS 13 1HD LYS 13 -10.240 -7.082 -3.652
98 2HD LYS 13 2HD LYS 13 -8.648 -7.872 -3.563
99 1HE LYS 13 1HE LYS 13 -9.784 -9.527 -1.922
100 2HE LYS 13 2HE LYS 13 -11.318 -8.870 -2.532
101 1HZ LYS 13 1HZ LYS 13 -10.912 -9.690 -4.599
102 2HZ LYS 13 2HZ LYS 13 -9.280 -9.804 -4.388
103 3HZ LYS 13 3HZ LYS 13 -10.284 -10.886 -3.653
104 H LEU 14 H LEU 14 -6.616 -3.177 -2.109
105 HA LEU 14 HA LEU 14 -4.711 -4.512 -3.751
106 1HB LEU 14 1HB LEU 14 -5.504 -1.790 -3.079
107 2HB LEU 14 2HB LEU 14 -3.735 -1.931 -3.213
108 HG LEU 14 HG LEU 14 -5.068 -1.446 -5.386
109 1HD1 LEU 14 1HD1 LEU 14 -3.594 -3.839 -6.098
110 2HD1 LEU 14 2HD1 LEU 14 -3.146 -2.134 -6.342
111 3HD1 LEU 14 3HD1 LEU 14 -2.728 -2.954 -4.819
112 1HD2 LEU 14 1HD2 LEU 14 -5.538 -4.051 -6.225
113 2HD2 LEU 14 2HD2 LEU 14 -6.130 -4.066 -4.547
114 3HD2 LEU 14 3HD2 LEU 14 -6.787 -2.891 -5.712
115 H LEU 15 H LEU 15 -4.394 -2.820 -0.584
116 HA LEU 15 HA LEU 15 -1.642 -3.207 -0.224
117 1HB LEU 15 1HB LEU 15 -4.014 -2.848 1.589
118 2HB LEU 15 2HB LEU 15 -2.442 -3.283 2.304
119 HG LEU 15 HG LEU 15 -3.052 -0.885 0.526
120 1HD1 LEU 15 1HD1 LEU 15 -1.703 -0.552 3.134
121 2HD1 LEU 15 2HD1 LEU 15 -3.076 0.342 2.439
122 3HD1 LEU 15 3HD1 LEU 15 -3.350 -1.215 3.257
123 1HD2 LEU 15 1HD2 LEU 15 -0.895 -1.161 -0.148
124 2HD2 LEU 15 2HD2 LEU 15 -0.484 -0.570 1.480
125 3HD2 LEU 15 3HD2 LEU 15 -0.539 -2.319 1.156
126 H LYS 16 H LYS 16 -4.248 -5.505 -0.223
127 HA LYS 16 HA LYS 16 -3.009 -7.483 1.458
128 1HB LYS 16 1HB LYS 16 -5.496 -7.156 0.515
129 2HB LYS 16 2HB LYS 16 -4.884 -8.252 -0.746
130 1HG LYS 16 1HG LYS 16 -4.462 -9.984 0.783
131 2HG LYS 16 2HG LYS 16 -4.398 -8.874 2.172
132 1HD LYS 16 1HD LYS 16 -6.801 -8.500 2.053
133 2HD LYS 16 2HD LYS 16 -6.912 -9.449 0.551
134 1HE LYS 16 1HE LYS 16 -5.680 -11.258 2.161
135 2HE LYS 16 2HE LYS 16 -6.618 -10.361 3.374
136 1HZ LYS 16 1HZ LYS 16 -7.778 -11.456 0.915
137 2HZ LYS 16 2HZ LYS 16 -7.765 -12.261 2.354
138 3HZ LYS 16 3HZ LYS 16 -8.579 -10.834 2.216
139 H LYS 17 H LYS 17 -1.586 -6.158 -1.020
140 HA LYS 17 HA LYS 17 -0.033 -8.495 -1.670
141 1HB LYS 17 1HB LYS 17 -1.305 -9.239 -3.381
142 2HB LYS 17 2HB LYS 17 -2.297 -7.762 -3.395
143 1HG LYS 17 1HG LYS 17 0.500 -8.014 -4.581
144 2HG LYS 17 2HG LYS 17 -1.016 -8.043 -5.512
145 1HD LYS 17 1HD LYS 17 -1.154 -5.758 -3.826
146 2HD LYS 17 2HD LYS 17 0.477 -5.760 -4.536
147 1HE LYS 17 1HE LYS 17 -1.617 -6.487 -6.468
148 2HE LYS 17 2HE LYS 17 -1.845 -4.864 -5.783
149 1HZ LYS 17 1HZ LYS 17 0.482 -4.442 -6.354
150 2HZ LYS 17 2HZ LYS 17 0.543 -5.892 -7.139
151 3HZ LYS 17 3HZ LYS 17 -0.478 -4.709 -7.668
152 H TRP 18 H TRP 18 -0.856 -5.125 -1.835
153 HA TRP 18 HA TRP 18 1.620 -4.464 -3.302
154 1HB TRP 18 1HB TRP 18 -0.896 -3.372 -3.273
155 2HB TRP 18 2HB TRP 18 -0.038 -2.311 -2.147
156 HD1 TRP 18 HD TRP 18 -0.813 -2.628 -5.669
157 HE1 TRP 18 1HE TRP 18 0.682 -1.186 -7.142
158 HE3 TRP 18 3HE TRP 18 2.849 -1.526 -2.267
159 HZ2 TRP 18 2HZ TRP 18 3.168 0.273 -6.886
160 HZ3 TRP 18 3HZ TRP 18 4.762 -0.109 -2.918
161 HH2 TRP 18 HH TRP 18 4.937 0.796 -5.217
162 H LYS 19 H LYS 19 0.068 -4.029 -0.096
163 HA LYS 19 HA LYS 19 1.867 -2.393 1.180
164 1HB LYS 19 1HB LYS 19 0.928 -3.167 3.128
165 2HB LYS 19 2HB LYS 19 -0.246 -3.851 1.978
166 1HG LYS 19 1HG LYS 19 0.946 -5.988 1.974
167 2HG LYS 19 2HG LYS 19 2.217 -5.314 3.022
168 1HD LYS 19 1HD LYS 19 0.889 -5.376 4.903
169 2HD LYS 19 2HD LYS 19 -0.607 -5.076 3.986
170 1HE LYS 19 1HE LYS 19 0.129 -7.511 2.983
171 2HE LYS 19 2HE LYS 19 0.747 -7.638 4.644
172 1HZ LYS 19 1HZ LYS 19 -1.474 -6.922 5.366
173 2HZ LYS 19 2HZ LYS 19 -2.002 -7.062 3.809
174 3HZ LYS 19 3HZ LYS 19 -1.453 -8.391 4.617
175 H MET 20 H MET 20 2.179 -5.961 0.763
176 HA MET 20 HA MET 20 4.406 -6.625 2.080
177 1HB MET 20 1HB MET 20 5.115 -7.911 -0.052
178 2HB MET 20 2HB MET 20 3.498 -8.241 0.615
179 1HG MET 20 1HG MET 20 2.763 -7.813 -1.476
180 2HG MET 20 2HG MET 20 2.980 -6.113 -1.028
181 1HE MET 20 1HE MET 20 4.525 -5.169 -4.240
182 2HE MET 20 2HE MET 20 2.918 -5.719 -3.708
183 3HE MET 20 3HE MET 20 3.859 -4.602 -2.690
184 H ARG 21 H ARG 21 4.357 -4.527 -0.813
185 HA ARG 21 HA ARG 21 7.275 -4.095 -0.505
186 1HB ARG 21 1HB ARG 21 5.932 -4.636 -2.742
187 2HB ARG 21 2HB ARG 21 5.640 -2.881 -2.710
188 1HG ARG 21 1HG ARG 21 7.699 -2.601 -3.590
189 2HG ARG 21 2HG ARG 21 8.370 -3.197 -2.053
190 1HD ARG 21 1HD ARG 21 9.263 -4.850 -3.332
191 2HD ARG 21 2HD ARG 21 7.630 -5.546 -3.267
192 HE ARG 21 HE ARG 21 7.590 -3.764 -5.409
193 1HH1 ARG 21 2HH2 ARG 21 9.432 -6.622 -4.439
194 2HH1 ARG 21 1HH2 ARG 21 9.738 -7.150 -6.079
195 1HH2 ARG 21 2HH1 ARG 21 7.994 -4.461 -7.574
196 2HH2 ARG 21 1HH1 ARG 21 8.918 -5.917 -7.866
197 H ARG 22 H ARG 22 4.135 -2.361 -0.692
198 HA ARG 22 HA ARG 22 5.358 0.207 -0.123
199 1HB ARG 22 1HB ARG 22 3.263 -0.091 -1.456
200 2HB ARG 22 2HB ARG 22 2.444 -0.659 0.019
201 1HG ARG 22 1HG ARG 22 3.713 1.718 0.802
202 2HG ARG 22 2HG ARG 22 3.077 2.072 -0.823
203 1HD ARG 22 1HD ARG 22 1.263 2.587 0.586
204 2HD ARG 22 2HD ARG 22 0.891 0.942 0.027
205 HE ARG 22 HE ARG 22 2.328 0.559 2.357
206 1HH1 ARG 22 2HH2 ARG 22 -0.573 2.354 1.430
207 2HH1 ARG 22 1HH2 ARG 22 -1.336 2.199 2.997
208 1HH2 ARG 22 2HH1 ARG 22 1.321 0.354 4.427
209 2HH2 ARG 22 1HH1 ARG 22 -0.256 1.058 4.706
210 H ASN 23 H ASN 23 5.741 -2.155 1.764
211 HA ASN 23 HA ASN 23 5.149 -0.627 4.210
212 1HB ASN 23 1HB ASN 23 3.437 -2.667 3.394
213 2HB ASN 23 2HB ASN 23 4.528 -3.472 4.542
214 1HD2 ASN 23 1HD2 ASN 23 1.790 -1.441 4.180
215 2HD2 ASN 23 2HD2 ASN 23 1.620 -0.950 5.852
216 H GLN 24 H GLN 24 7.440 -1.710 2.399
217 HA GLN 24 HA GLN 24 9.070 -2.654 4.679
218 1HB GLN 24 1HB GLN 24 8.649 -4.102 2.049
219 2HB GLN 24 2HB GLN 24 10.100 -4.354 3.048
220 1HG GLN 24 1HG GLN 24 8.038 -4.513 4.900
221 2HG GLN 24 2HG GLN 24 7.335 -5.287 3.463
222 1HE2 GLN 24 1HE2 GLN 24 7.571 -7.015 5.407
223 2HE2 GLN 24 2HE2 GLN 24 8.983 -8.039 5.257
224 H PHE 25 H PHE 25 10.289 -3.061 1.465
225 HA PHE 25 HA PHE 25 12.393 -1.192 1.863
226 1HB PHE 25 1HB PHE 25 13.098 -2.602 0.265
227 2HB PHE 25 2HB PHE 25 11.444 -3.039 -0.199
228 HD1 PHE 25 1HD PHE 25 10.204 -0.763 -1.293
229 HD2 PHE 25 2HD PHE 25 14.350 -1.865 -1.528
230 HE1 PHE 25 1HE PHE 25 10.437 0.558 -3.379
231 HE2 PHE 25 2HE PHE 25 14.583 -0.543 -3.614
232 HZ PHE 25 HZ PHE 25 12.626 0.668 -4.539
233 H TRP 26 H TRP 26 9.136 -0.620 1.337
234 HA TRP 26 HA TRP 26 9.451 1.670 -0.452
235 1HB TRP 26 1HB TRP 26 7.288 0.082 0.729
236 2HB TRP 26 2HB TRP 26 6.948 1.818 0.734
237 HD1 TRP 26 HD TRP 26 7.308 -1.166 -1.560
238 HE1 TRP 26 1HE TRP 26 6.534 -0.579 -3.914
239 HE3 TRP 26 3HE TRP 26 6.760 3.891 -0.992
240 HZ2 TRP 26 2HZ TRP 26 5.768 1.793 -5.384
241 HZ3 TRP 26 3HZ TRP 26 6.007 5.279 -2.889
242 HH2 TRP 26 HH TRP 26 5.509 4.248 -5.086
243 H VAL 27 H VAL 27 7.866 1.459 2.772
244 HA VAL 27 HA VAL 27 7.745 3.916 3.666
245 HB VAL 27 HB VAL 27 8.350 3.198 5.893
246 1HG1 VAL 27 1HG1 VAL 27 7.461 0.643 4.537
247 2HG1 VAL 27 2HG1 VAL 27 6.918 1.338 6.083
248 3HG1 VAL 27 3HG1 VAL 27 6.406 2.076 4.546
249 1HG2 VAL 27 1HG2 VAL 27 10.135 1.357 4.351
250 2HG2 VAL 27 2HG2 VAL 27 10.424 2.198 5.892
251 3HG2 VAL 27 3HG2 VAL 27 9.431 0.721 5.857
252 H LYS 28 H LYS 28 10.869 2.276 3.103
253 HA LYS 28 HA LYS 28 12.480 4.429 4.103
254 1HB LYS 28 1HB LYS 28 12.979 2.055 2.285
255 2HB LYS 28 2HB LYS 28 14.256 3.231 2.678
256 1HG LYS 28 1HG LYS 28 13.591 2.829 5.153
257 2HG LYS 28 2HG LYS 28 12.739 1.387 4.549
258 1HD LYS 28 1HD LYS 28 14.688 0.260 4.464
259 2HD LYS 28 2HD LYS 28 15.350 1.474 3.343
260 1HE LYS 28 1HE LYS 28 15.538 2.871 5.644
261 2HE LYS 28 2HE LYS 28 15.663 1.227 6.308
262 1HZ LYS 28 1HZ LYS 28 17.557 2.712 4.855
263 2HZ LYS 28 2HZ LYS 28 17.750 1.317 5.713
264 3HZ LYS 28 3HZ LYS 28 17.279 1.255 4.133
265 H VAL 29 H VAL 29 11.253 3.508 0.864
266 HA VAL 29 HA VAL 29 12.637 5.279 -0.744
267 HB VAL 29 HB VAL 29 10.651 5.232 -2.210
268 1HG1 VAL 29 1HG1 VAL 29 11.857 3.260 -2.481
269 2HG1 VAL 29 2HG1 VAL 29 11.617 2.758 -0.790
270 3HG1 VAL 29 3HG1 VAL 29 10.284 2.610 -1.959
271 1HG2 VAL 29 1HG2 VAL 29 9.289 5.032 0.285
272 2HG2 VAL 29 2HG2 VAL 29 8.575 5.081 -1.345
273 3HG2 VAL 29 3HG2 VAL 29 8.974 3.516 -0.595
274 H GLN 30 H GLN 30 10.559 6.025 1.888
275 HA GLN 30 HA GLN 30 9.940 8.723 0.873
276 1HB GLN 30 1HB GLN 30 8.243 8.696 2.375
277 2HB GLN 30 2HB GLN 30 8.557 6.946 2.457
278 1HG GLN 30 1HG GLN 30 10.156 7.340 4.320
279 2HG GLN 30 2HG GLN 30 9.788 9.078 4.253
280 1HE2 GLN 30 1HE2 GLN 30 8.362 5.839 4.814
281 2HE2 GLN 30 2HE2 GLN 30 7.055 6.391 5.839
282 H ARG 31 H ARG 31 11.760 7.097 3.509
283 HA ARG 31 HA ARG 31 13.146 8.081 5.115
284 1HB ARG 31 1HB ARG 31 14.658 7.366 3.382
285 2HB ARG 31 2HB ARG 31 14.305 8.809 2.401
286 1HG ARG 31 1HG ARG 31 15.435 10.251 3.909
287 2HG ARG 31 2HG ARG 31 15.422 9.038 5.212
288 1HD ARG 31 1HD ARG 31 16.757 7.663 3.272
289 2HD ARG 31 2HD ARG 31 17.255 9.324 2.882
290 HE ARG 31 HE ARG 31 18.165 7.741 5.086
291 1HH1 ARG 31 2HH2 ARG 31 17.188 11.024 4.210
292 2HH1 ARG 31 1HH2 ARG 31 18.190 11.793 5.421
293 1HH2 ARG 31 2HH1 ARG 31 19.489 8.756 6.686
294 2HH2 ARG 31 1HH1 ARG 31 19.502 10.499 6.832
295 H GLY 32 H GLY 32 11.711 9.633 6.077
296 1HA GLY 32 1HA GLY 32 12.274 12.426 5.182
297 2HA GLY 32 2HA GLY 32 10.692 11.901 5.802
Start of MODEL 25
1 HA PRO 1 HA PRO 1 -15.674 11.547 -4.172
2 1HB PRO 1 1HB PRO 1 -13.731 9.693 -3.711
3 2HB PRO 1 2HB PRO 1 -13.915 10.493 -5.306
4 1HG PRO 1 1HG PRO 1 -12.036 11.280 -3.060
5 2HG PRO 1 2HG PRO 1 -11.615 10.991 -4.780
6 1HD PRO 1 1HD PRO 1 -12.092 13.503 -3.836
7 2HD PRO 1 2HD PRO 1 -12.689 13.012 -5.450
8 HA PRO 2 HA PRO 2 -16.229 11.077 0.170
9 1HB PRO 2 1HB PRO 2 -17.186 8.536 0.396
10 2HB PRO 2 2HB PRO 2 -18.093 9.814 -0.476
11 1HG PRO 2 1HG PRO 2 -16.235 7.738 -1.672
12 2HG PRO 2 2HG PRO 2 -17.919 8.108 -2.169
13 1HD PRO 2 1HD PRO 2 -15.782 9.215 -3.449
14 2HD PRO 2 2HD PRO 2 -17.249 10.188 -3.125
15 H LEU 3 H LEU 3 -15.905 8.775 1.751
16 HA LEU 3 HA LEU 3 -13.224 7.703 1.305
17 1HB LEU 3 1HB LEU 3 -12.803 8.629 3.824
18 2HB LEU 3 2HB LEU 3 -12.265 9.486 2.359
19 HG LEU 3 HG LEU 3 -13.637 10.817 4.133
20 1HD1 LEU 3 1HD1 LEU 3 -15.055 11.125 1.557
21 2HD1 LEU 3 2HD1 LEU 3 -14.039 12.286 2.445
22 3HD1 LEU 3 3HD1 LEU 3 -13.283 11.060 1.400
23 1HD2 LEU 3 1HD2 LEU 3 -15.466 8.699 3.455
24 2HD2 LEU 3 2HD2 LEU 3 -15.694 10.033 4.612
25 3HD2 LEU 3 3HD2 LEU 3 -16.160 10.244 2.907
26 H SER 4 H SER 4 -15.229 6.083 1.244
27 HA SER 4 HA SER 4 -14.952 4.434 3.555
28 1HB SER 4 1HB SER 4 -16.672 6.464 4.095
29 2HB SER 4 2HB SER 4 -17.796 5.294 3.361
30 HG SER 4 HG SER 4 -16.579 5.238 5.779
31 H GLN 5 H GLN 5 -15.005 4.612 0.502
32 HA GLN 5 HA GLN 5 -15.910 2.007 -0.026
33 1HB GLN 5 1HB GLN 5 -18.077 3.779 0.270
34 2HB GLN 5 2HB GLN 5 -17.876 3.580 -1.487
35 1HG GLN 5 1HG GLN 5 -17.560 1.009 -0.730
36 2HG GLN 5 2HG GLN 5 -18.597 1.563 0.603
37 1HE2 GLN 5 1HE2 GLN 5 -19.656 -0.345 -0.993
38 2HE2 GLN 5 2HE2 GLN 5 -20.867 0.325 -2.065
39 H GLU 6 H GLU 6 -15.692 5.345 -1.327
40 HA GLU 6 HA GLU 6 -15.287 4.897 -3.999
41 1HB GLU 6 1HB GLU 6 -15.182 7.082 -2.624
42 2HB GLU 6 2HB GLU 6 -13.452 6.717 -2.420
43 1HG GLU 6 1HG GLU 6 -14.580 6.512 -5.185
44 2HG GLU 6 2HG GLU 6 -14.394 8.143 -4.505
45 H THR 7 H THR 7 -12.655 4.864 -1.520
46 HA THR 7 HA THR 7 -10.917 3.483 -3.459
47 HB THR 7 HB THR 7 -9.801 3.831 -0.803
48 HG1 THR 7 1HG THR 7 -9.978 6.089 -0.766
49 1HG2 THR 7 1HG2 THR 7 -8.351 3.681 -2.677
50 2HG2 THR 7 2HG2 THR 7 -9.294 4.869 -3.608
51 3HG2 THR 7 3HG2 THR 7 -8.308 5.402 -2.225
52 H PHE 8 H PHE 8 -10.723 2.893 0.006
53 HA PHE 8 HA PHE 8 -10.210 0.591 0.658
54 1HB PHE 8 1HB PHE 8 -13.212 0.786 0.816
55 2HB PHE 8 2HB PHE 8 -12.067 0.151 2.010
56 HD1 PHE 8 1HD PHE 8 -12.416 3.416 0.168
57 HD2 PHE 8 2HD PHE 8 -12.051 1.406 3.947
58 HE1 PHE 8 1HE PHE 8 -12.413 5.606 1.332
59 HE2 PHE 8 2HE PHE 8 -12.048 3.596 5.111
60 HZ PHE 8 HZ PHE 8 -12.229 5.696 3.804
61 H SER 9 H SER 9 -13.287 0.616 -1.240
62 HA SER 9 HA SER 9 -13.622 -1.974 -1.865
63 1HB SER 9 1HB SER 9 -14.877 0.025 -2.791
64 2HB SER 9 2HB SER 9 -13.595 0.171 -4.017
65 HG SER 9 HG SER 9 -14.114 -2.238 -4.262
66 H ASP 10 H ASP 10 -11.438 0.137 -3.824
67 HA ASP 10 HA ASP 10 -10.051 -2.331 -4.726
68 1HB ASP 10 1HB ASP 10 -11.064 -0.555 -6.330
69 2HB ASP 10 2HB ASP 10 -9.679 0.450 -5.852
70 H LEU 11 H LEU 11 -9.777 0.477 -2.704
71 HA LEU 11 HA LEU 11 -6.926 0.752 -2.748
72 1HB LEU 11 1HB LEU 11 -8.875 2.297 -1.818
73 2HB LEU 11 2HB LEU 11 -8.570 1.394 -0.315
74 HG LEU 11 HG LEU 11 -6.594 3.052 -1.928
75 1HD1 LEU 11 1HD1 LEU 11 -8.079 3.299 0.644
76 2HD1 LEU 11 2HD1 LEU 11 -6.366 3.781 0.689
77 3HD1 LEU 11 3HD1 LEU 11 -7.481 4.565 -0.456
78 1HD2 LEU 11 1HD2 LEU 11 -5.003 2.301 -0.031
79 2HD2 LEU 11 2HD2 LEU 11 -6.164 0.981 0.249
80 3HD2 LEU 11 3HD2 LEU 11 -5.341 1.124 -1.323
81 H TRP 12 H TRP 12 -8.970 -0.460 -0.032
82 HA TRP 12 HA TRP 12 -6.927 -1.715 1.377
83 1HB TRP 12 1HB TRP 12 -8.639 -2.163 2.724
84 2HB TRP 12 2HB TRP 12 -9.728 -1.517 1.488
85 HD1 TRP 12 HD TRP 12 -11.589 -3.081 0.874
86 HE1 TRP 12 1HE TRP 12 -12.013 -5.593 0.856
87 HE3 TRP 12 3HE TRP 12 -6.992 -4.688 2.453
88 HZ2 TRP 12 2HZ TRP 12 -10.543 -8.014 1.452
89 HZ3 TRP 12 3HZ TRP 12 -6.543 -7.100 2.716
90 HH2 TRP 12 HH TRP 12 -8.303 -8.772 2.221
91 H LYS 13 H LYS 13 -8.843 -2.914 -1.386
92 HA LYS 13 HA LYS 13 -7.810 -5.595 -1.258
93 1HB LYS 13 1HB LYS 13 -9.866 -4.352 -2.570
94 2HB LYS 13 2HB LYS 13 -8.678 -4.528 -3.884
95 1HG LYS 13 1HG LYS 13 -9.275 -6.848 -2.036
96 2HG LYS 13 2HG LYS 13 -10.344 -6.496 -3.414
97 1HD LYS 13 1HD LYS 13 -8.775 -7.125 -4.963
98 2HD LYS 13 2HD LYS 13 -7.420 -6.494 -3.997
99 1HE LYS 13 1HE LYS 13 -7.539 -8.413 -2.495
100 2HE LYS 13 2HE LYS 13 -8.989 -9.015 -3.326
101 1HZ LYS 13 1HZ LYS 13 -6.383 -8.661 -4.623
102 2HZ LYS 13 2HZ LYS 13 -6.915 -10.089 -3.994
103 3HZ LYS 13 3HZ LYS 13 -7.720 -9.392 -5.253
104 H LEU 14 H LEU 14 -6.768 -2.555 -2.749
105 HA LEU 14 HA LEU 14 -4.803 -3.766 -4.479
106 1HB LEU 14 1HB LEU 14 -5.541 -1.004 -3.570
107 2HB LEU 14 2HB LEU 14 -3.929 -1.253 -4.281
108 HG LEU 14 HG LEU 14 -6.374 -0.938 -5.666
109 1HD1 LEU 14 1HD1 LEU 14 -3.512 -1.383 -6.196
110 2HD1 LEU 14 2HD1 LEU 14 -4.564 -2.006 -7.489
111 3HD1 LEU 14 3HD1 LEU 14 -4.663 -0.295 -7.009
112 1HD2 LEU 14 1HD2 LEU 14 -5.315 -3.691 -6.293
113 2HD2 LEU 14 2HD2 LEU 14 -6.508 -3.493 -4.987
114 3HD2 LEU 14 3HD2 LEU 14 -6.912 -2.988 -6.646
115 H LEU 15 H LEU 15 -4.803 -2.356 -1.192
116 HA LEU 15 HA LEU 15 -1.963 -2.474 -0.843
117 1HB LEU 15 1HB LEU 15 -4.369 -1.906 0.766
118 2HB LEU 15 2HB LEU 15 -3.045 -2.657 1.689
119 HG LEU 15 HG LEU 15 -1.508 -0.929 1.077
120 1HD1 LEU 15 1HD1 LEU 15 -1.662 0.349 -0.810
121 2HD1 LEU 15 2HD1 LEU 15 -2.827 -0.895 -1.323
122 3HD1 LEU 15 3HD1 LEU 15 -3.408 0.624 -0.600
123 1HD2 LEU 15 1HD2 LEU 15 -4.244 -0.096 1.952
124 2HD2 LEU 15 2HD2 LEU 15 -2.679 0.084 2.780
125 3HD2 LEU 15 3HD2 LEU 15 -3.127 1.203 1.470
126 H LYS 16 H LYS 16 -4.324 -4.904 -1.123
127 HA LYS 16 HA LYS 16 -3.285 -6.794 0.777
128 1HB LYS 16 1HB LYS 16 -5.513 -6.600 -0.861
129 2HB LYS 16 2HB LYS 16 -4.568 -7.897 -1.631
130 1HG LYS 16 1HG LYS 16 -4.925 -7.882 1.368
131 2HG LYS 16 2HG LYS 16 -6.237 -8.484 0.326
132 1HD LYS 16 1HD LYS 16 -3.937 -9.660 -0.748
133 2HD LYS 16 2HD LYS 16 -3.671 -9.732 1.011
134 1HE LYS 16 1HE LYS 16 -5.036 -11.525 1.040
135 2HE LYS 16 2HE LYS 16 -6.372 -10.407 0.689
136 1HZ LYS 16 1HZ LYS 16 -5.882 -12.399 -0.839
137 2HZ LYS 16 2HZ LYS 16 -6.340 -10.952 -1.484
138 3HZ LYS 16 3HZ LYS 16 -4.752 -11.398 -1.503
139 H LYS 17 H LYS 17 -1.575 -5.361 -1.497
140 HA LYS 17 HA LYS 17 0.268 -7.569 -1.777
141 1HB LYS 17 1HB LYS 17 -0.710 -8.424 -3.641
142 2HB LYS 17 2HB LYS 17 -1.656 -6.947 -3.943
143 1HG LYS 17 1HG LYS 17 1.341 -7.177 -4.437
144 2HG LYS 17 2HG LYS 17 0.105 -7.420 -5.695
145 1HD LYS 17 1HD LYS 17 -0.628 -5.013 -4.448
146 2HD LYS 17 2HD LYS 17 1.146 -4.929 -4.568
147 1HE LYS 17 1HE LYS 17 0.860 -5.704 -7.002
148 2HE LYS 17 2HE LYS 17 -0.870 -5.353 -6.798
149 1HZ LYS 17 1HZ LYS 17 1.021 -3.592 -7.514
150 2HZ LYS 17 2HZ LYS 17 -0.480 -3.213 -6.944
151 3HZ LYS 17 3HZ LYS 17 0.808 -3.249 -5.914
152 H TRP 18 H TRP 18 -0.833 -4.315 -2.725
153 HA TRP 18 HA TRP 18 1.758 -3.433 -3.623
154 1HB TRP 18 1HB TRP 18 -0.781 -2.516 -3.861
155 2HB TRP 18 2HB TRP 18 -0.205 -1.479 -2.548
156 HD1 TRP 18 HD TRP 18 -0.418 -1.584 -6.164
157 HE1 TRP 18 1HE TRP 18 1.121 0.103 -7.291
158 HE3 TRP 18 3HE TRP 18 2.565 -0.421 -2.171
159 HZ2 TRP 18 2HZ TRP 18 3.377 1.762 -6.558
160 HZ3 TRP 18 3HZ TRP 18 4.396 1.214 -2.424
161 HH2 TRP 18 HH TRP 18 4.814 2.311 -4.605
162 H LYS 19 H LYS 19 -0.100 -3.134 -0.562
163 HA LYS 19 HA LYS 19 1.819 -1.528 0.790
164 1HB LYS 19 1HB LYS 19 0.165 -1.550 2.306
165 2HB LYS 19 2HB LYS 19 -0.690 -2.771 1.333
166 1HG LYS 19 1HG LYS 19 0.484 -4.576 2.469
167 2HG LYS 19 2HG LYS 19 1.509 -3.413 3.342
168 1HD LYS 19 1HD LYS 19 -0.986 -2.487 3.989
169 2HD LYS 19 2HD LYS 19 -1.302 -4.233 3.851
170 1HE LYS 19 1HE LYS 19 1.060 -3.147 5.413
171 2HE LYS 19 2HE LYS 19 -0.543 -3.343 6.155
172 1HZ LYS 19 1HZ LYS 19 0.709 -5.270 6.545
173 2HZ LYS 19 2HZ LYS 19 -0.440 -5.666 5.430
174 3HZ LYS 19 3HZ LYS 19 1.124 -5.436 4.958
175 H MET 20 H MET 20 1.330 -5.084 0.611
176 HA MET 20 HA MET 20 3.047 -6.095 2.422
177 1HB MET 20 1HB MET 20 1.992 -7.590 0.907
178 2HB MET 20 2HB MET 20 2.729 -6.802 -0.509
179 1HG MET 20 1HG MET 20 4.849 -7.569 1.227
180 2HG MET 20 2HG MET 20 3.752 -8.956 1.116
181 1HE MET 20 1HE MET 20 5.660 -6.890 -2.566
182 2HE MET 20 2HE MET 20 4.323 -6.204 -1.612
183 3HE MET 20 3HE MET 20 5.940 -6.369 -0.887
184 H ARG 21 H ARG 21 4.014 -4.435 -0.597
185 HA ARG 21 HA ARG 21 6.855 -4.691 0.182
186 1HB ARG 21 1HB ARG 21 5.420 -4.619 -2.281
187 2HB ARG 21 2HB ARG 21 6.426 -3.151 -2.213
188 1HG ARG 21 1HG ARG 21 8.407 -4.344 -2.166
189 2HG ARG 21 2HG ARG 21 7.670 -5.741 -1.344
190 1HD ARG 21 1HD ARG 21 6.331 -5.546 -3.816
191 2HD ARG 21 2HD ARG 21 8.042 -5.252 -4.195
192 HE ARG 21 HE ARG 21 6.840 -7.757 -3.410
193 1HH1 ARG 21 2HH2 ARG 21 9.772 -5.792 -3.199
194 2HH1 ARG 21 1HH2 ARG 21 10.841 -7.163 -3.005
195 1HH2 ARG 21 2HH1 ARG 21 8.253 -9.568 -3.154
196 2HH2 ARG 21 1HH1 ARG 21 9.975 -9.316 -2.979
197 H ARG 22 H ARG 22 4.240 -2.312 -0.233
198 HA ARG 22 HA ARG 22 5.988 -0.038 0.230
199 1HB ARG 22 1HB ARG 22 3.694 -0.210 -1.052
200 2HB ARG 22 2HB ARG 22 2.993 0.012 0.569
201 1HG ARG 22 1HG ARG 22 5.228 1.840 -0.257
202 2HG ARG 22 2HG ARG 22 3.625 2.103 -0.985
203 1HD ARG 22 1HD ARG 22 4.497 2.350 1.877
204 2HD ARG 22 2HD ARG 22 3.412 3.389 0.929
205 HE ARG 22 HE ARG 22 2.699 0.941 2.398
206 1HH1 ARG 22 2HH2 ARG 22 1.794 3.415 0.040
207 2HH1 ARG 22 1HH2 ARG 22 0.075 3.128 0.194
208 1HH2 ARG 22 2HH1 ARG 22 0.428 0.562 2.601
209 2HH2 ARG 22 1HH1 ARG 22 -0.703 1.501 1.654
210 H ASN 23 H ASN 23 6.027 -2.231 2.234
211 HA ASN 23 HA ASN 23 5.551 -0.523 4.589
212 1HB ASN 23 1HB ASN 23 3.667 -2.425 3.848
213 2HB ASN 23 2HB ASN 23 4.671 -3.289 5.031
214 1HD2 ASN 23 1HD2 ASN 23 2.746 -0.319 4.488
215 2HD2 ASN 23 2HD2 ASN 23 2.383 -0.027 6.176
216 H GLN 24 H GLN 24 7.754 -1.922 2.871
217 HA GLN 24 HA GLN 24 9.278 -2.847 5.227
218 1HB GLN 24 1HB GLN 24 8.812 -4.448 2.686
219 2HB GLN 24 2HB GLN 24 10.120 -4.794 3.843
220 1HG GLN 24 1HG GLN 24 8.013 -4.613 5.551
221 2HG GLN 24 2HG GLN 24 7.178 -5.205 4.099
222 1HE2 GLN 24 1HE2 GLN 24 7.740 -7.258 3.209
223 2HE2 GLN 24 2HE2 GLN 24 8.621 -8.445 4.146
224 H PHE 25 H PHE 25 10.534 -3.688 2.142
225 HA PHE 25 HA PHE 25 12.759 -1.943 2.391
226 1HB PHE 25 1HB PHE 25 13.405 -3.563 0.983
227 2HB PHE 25 2HB PHE 25 11.735 -3.954 0.539
228 HD1 PHE 25 1HD PHE 25 10.666 -1.736 -0.843
229 HD2 PHE 25 2HD PHE 25 14.719 -3.158 -0.872
230 HE1 PHE 25 1HE PHE 25 11.013 -0.701 -3.070
231 HE2 PHE 25 2HE PHE 25 15.067 -2.123 -3.099
232 HZ PHE 25 HZ PHE 25 13.214 -0.894 -4.198
233 H TRP 26 H TRP 26 9.578 -1.181 1.708
234 HA TRP 26 HA TRP 26 10.116 0.846 -0.330
235 1HB TRP 26 1HB TRP 26 7.799 -0.402 0.980
236 2HB TRP 26 2HB TRP 26 7.608 1.338 0.717
237 HD1 TRP 26 HD TRP 26 7.754 -1.973 -1.095
238 HE1 TRP 26 1HE TRP 26 7.104 -1.683 -3.541
239 HE3 TRP 26 3HE TRP 26 7.672 3.140 -1.306
240 HZ2 TRP 26 2HZ TRP 26 6.607 0.499 -5.376
241 HZ3 TRP 26 3HZ TRP 26 7.107 4.287 -3.416
242 HH2 TRP 26 HH TRP 26 6.574 2.985 -5.455
243 H VAL 27 H VAL 27 8.434 1.145 2.836
244 HA VAL 27 HA VAL 27 8.496 3.695 3.431
245 HB VAL 27 HB VAL 27 8.943 3.202 5.744
246 1HG1 VAL 27 1HG1 VAL 27 7.331 1.556 6.063
247 2HG1 VAL 27 2HG1 VAL 27 7.032 1.971 4.358
248 3HG1 VAL 27 3HG1 VAL 27 7.980 0.521 4.769
249 1HG2 VAL 27 1HG2 VAL 27 10.626 1.026 4.532
250 2HG2 VAL 27 2HG2 VAL 27 10.985 2.112 5.896
251 3HG2 VAL 27 3HG2 VAL 27 9.885 0.731 6.124
252 H LYS 28 H LYS 28 11.487 1.747 3.211
253 HA LYS 28 HA LYS 28 13.249 3.854 4.016
254 1HB LYS 28 1HB LYS 28 13.581 1.264 2.478
255 2HB LYS 28 2HB LYS 28 14.947 2.366 2.773
256 1HG LYS 28 1HG LYS 28 13.150 1.479 5.043
257 2HG LYS 28 2HG LYS 28 14.500 0.456 4.496
258 1HD LYS 28 1HD LYS 28 16.114 1.985 5.177
259 2HD LYS 28 2HD LYS 28 15.017 3.377 5.009
260 1HE LYS 28 1HE LYS 28 13.679 2.271 6.951
261 2HE LYS 28 2HE LYS 28 15.156 1.323 7.229
262 1HZ LYS 28 1HZ LYS 28 15.466 3.129 8.535
263 2HZ LYS 28 2HZ LYS 28 16.246 3.619 7.167
264 3HZ LYS 28 3HZ LYS 28 14.733 4.185 7.502
265 H VAL 29 H VAL 29 11.996 2.724 0.858
266 HA VAL 29 HA VAL 29 13.587 4.210 -0.868
267 HB VAL 29 HB VAL 29 11.670 4.123 -2.412
268 1HG1 VAL 29 1HG1 VAL 29 12.393 1.769 -0.682
269 2HG1 VAL 29 2HG1 VAL 29 11.089 1.578 -1.878
270 3HG1 VAL 29 3HG1 VAL 29 12.721 2.050 -2.409
271 1HG2 VAL 29 1HG2 VAL 29 9.557 4.238 -1.637
272 2HG2 VAL 29 2HG2 VAL 29 9.790 2.727 -0.724
273 3HG2 VAL 29 3HG2 VAL 29 10.192 4.291 0.025
274 H GLN 30 H GLN 30 11.508 5.360 1.600
275 HA GLN 30 HA GLN 30 11.165 7.990 0.282
276 1HB GLN 30 1HB GLN 30 9.395 8.327 1.708
277 2HB GLN 30 2HB GLN 30 9.395 6.547 1.702
278 1HG GLN 30 1HG GLN 30 11.195 6.947 3.662
279 2HG GLN 30 2HG GLN 30 10.276 8.458 3.833
280 1HE2 GLN 30 1HE2 GLN 30 10.483 6.020 5.604
281 2HE2 GLN 30 2HE2 GLN 30 8.830 5.496 5.846
282 H ARG 31 H ARG 31 12.968 6.304 2.788
283 HA ARG 31 HA ARG 31 13.834 7.959 4.633
284 1HB ARG 31 1HB ARG 31 14.945 5.797 3.761
285 2HB ARG 31 2HB ARG 31 15.926 6.869 2.732
286 1HG ARG 31 1HG ARG 31 15.701 7.652 5.602
287 2HG ARG 31 2HG ARG 31 16.635 6.174 5.265
288 1HD ARG 31 1HD ARG 31 17.885 7.499 3.491
289 2HD ARG 31 2HD ARG 31 17.081 8.955 4.118
290 HE ARG 31 HE ARG 31 19.328 7.576 5.285
291 1HH1 ARG 31 2HH2 ARG 31 16.394 9.403 6.032
292 2HH1 ARG 31 1HH2 ARG 31 16.990 9.997 7.566
293 1HH2 ARG 31 2HH1 ARG 31 20.115 8.360 7.312
294 2HH2 ARG 31 1HH1 ARG 31 19.111 9.402 8.296
295 H GLY 32 H GLY 32 15.048 8.325 1.248
296 1HA GLY 32 1HA GLY 32 14.711 10.931 0.750
297 2HA GLY 32 2HA GLY 32 16.054 11.008 1.913
Start of MODEL 26
1 HA PRO 1 HA PRO 1 -10.570 7.660 2.954
2 1HB PRO 1 1HB PRO 1 -11.991 6.528 4.985
3 2HB PRO 1 2HB PRO 1 -10.198 6.564 4.991
4 1HG PRO 1 1HG PRO 1 -12.080 8.514 6.350
5 2HG PRO 1 2HG PRO 1 -10.707 7.629 7.093
6 1HD PRO 1 1HD PRO 1 -10.425 10.181 6.178
7 2HD PRO 1 2HD PRO 1 -9.122 8.979 5.930
8 HA PRO 2 HA PRO 2 -14.386 10.031 2.113
9 1HB PRO 2 1HB PRO 2 -14.458 9.519 -0.562
10 2HB PRO 2 2HB PRO 2 -13.315 10.708 0.143
11 1HG PRO 2 1HG PRO 2 -12.765 7.802 -0.522
12 2HG PRO 2 2HG PRO 2 -11.812 9.233 -1.031
13 1HD PRO 2 1HD PRO 2 -11.113 7.764 1.155
14 2HD PRO 2 2HD PRO 2 -10.981 9.549 1.182
15 H LEU 3 H LEU 3 -15.941 8.828 -0.031
16 HA LEU 3 HA LEU 3 -16.354 6.030 0.672
17 1HB LEU 3 1HB LEU 3 -17.692 8.034 2.176
18 2HB LEU 3 2HB LEU 3 -18.896 7.348 1.059
19 HG LEU 3 HG LEU 3 -17.760 5.050 1.827
20 1HD1 LEU 3 1HD1 LEU 3 -17.571 5.704 4.509
21 2HD1 LEU 3 2HD1 LEU 3 -16.187 5.450 3.418
22 3HD1 LEU 3 3HD1 LEU 3 -16.788 7.097 3.725
23 1HD2 LEU 3 1HD2 LEU 3 -19.959 6.735 2.922
24 2HD2 LEU 3 2HD2 LEU 3 -20.002 5.070 2.293
25 3HD2 LEU 3 3HD2 LEU 3 -19.438 5.381 3.953
26 H SER 4 H SER 4 -15.610 7.206 -1.736
27 HA SER 4 HA SER 4 -18.136 7.038 -3.314
28 1HB SER 4 1HB SER 4 -16.303 9.132 -3.194
29 2HB SER 4 2HB SER 4 -15.827 8.244 -4.661
30 HG SER 4 HG SER 4 -17.592 8.876 -5.588
31 H GLN 5 H GLN 5 -15.471 5.321 -2.367
32 HA GLN 5 HA GLN 5 -14.759 3.259 -3.147
33 1HB GLN 5 1HB GLN 5 -17.006 3.721 -4.749
34 2HB GLN 5 2HB GLN 5 -15.691 3.432 -5.914
35 1HG GLN 5 1HG GLN 5 -15.064 1.421 -4.406
36 2HG GLN 5 2HG GLN 5 -16.672 1.632 -3.681
37 1HE2 GLN 5 1HE2 GLN 5 -15.981 -0.739 -5.008
38 2HE2 GLN 5 2HE2 GLN 5 -16.903 -0.857 -6.491
39 H GLU 6 H GLU 6 -14.256 6.344 -4.495
40 HA GLU 6 HA GLU 6 -12.631 6.261 -6.609
41 1HB GLU 6 1HB GLU 6 -12.849 7.899 -4.293
42 2HB GLU 6 2HB GLU 6 -11.113 7.608 -4.560
43 1HG GLU 6 1HG GLU 6 -11.117 8.635 -6.635
44 2HG GLU 6 2HG GLU 6 -12.824 8.248 -6.942
45 H THR 7 H THR 7 -11.278 5.598 -3.322
46 HA THR 7 HA THR 7 -9.055 4.148 -4.626
47 HB THR 7 HB THR 7 -8.993 4.278 -1.714
48 HG1 THR 7 1HG THR 7 -9.849 6.185 -1.561
49 1HG2 THR 7 1HG2 THR 7 -6.789 4.959 -2.118
50 2HG2 THR 7 2HG2 THR 7 -7.158 4.033 -3.593
51 3HG2 THR 7 3HG2 THR 7 -7.222 5.812 -3.619
52 H PHE 8 H PHE 8 -10.329 3.444 -1.397
53 HA PHE 8 HA PHE 8 -10.242 1.028 -0.822
54 1HB PHE 8 1HB PHE 8 -13.093 1.526 -1.589
55 2HB PHE 8 2HB PHE 8 -12.422 0.867 -0.088
56 HD1 PHE 8 1HD PHE 8 -11.875 4.077 -1.973
57 HD2 PHE 8 2HD PHE 8 -13.007 2.190 1.716
58 HE1 PHE 8 1HE PHE 8 -12.086 6.302 -0.899
59 HE2 PHE 8 2HE PHE 8 -13.218 4.415 2.790
60 HZ PHE 8 HZ PHE 8 -12.757 6.472 1.482
61 H SER 9 H SER 9 -12.515 1.583 -3.577
62 HA SER 9 HA SER 9 -12.953 -0.880 -4.524
63 1HB SER 9 1HB SER 9 -13.456 1.403 -5.606
64 2HB SER 9 2HB SER 9 -11.877 1.233 -6.410
65 HG SER 9 HG SER 9 -14.126 0.218 -7.199
66 H ASP 10 H ASP 10 -9.954 0.927 -5.422
67 HA ASP 10 HA ASP 10 -8.692 -1.707 -5.993
68 1HB ASP 10 1HB ASP 10 -8.401 1.068 -7.098
69 2HB ASP 10 2HB ASP 10 -6.978 0.004 -7.092
70 H LEU 11 H LEU 11 -8.734 1.039 -3.874
71 HA LEU 11 HA LEU 11 -6.013 0.964 -3.000
72 1HB LEU 11 1HB LEU 11 -7.862 2.764 -2.653
73 2HB LEU 11 2HB LEU 11 -8.355 1.766 -1.264
74 HG LEU 11 HG LEU 11 -5.803 3.303 -1.710
75 1HD1 LEU 11 1HD1 LEU 11 -6.517 3.055 1.016
76 2HD1 LEU 11 2HD1 LEU 11 -6.777 4.465 -0.039
77 3HD1 LEU 11 3HD1 LEU 11 -8.053 3.236 0.135
78 1HD2 LEU 11 1HD2 LEU 11 -4.769 1.916 0.131
79 2HD2 LEU 11 2HD2 LEU 11 -6.109 0.760 -0.060
80 3HD2 LEU 11 3HD2 LEU 11 -4.977 1.039 -1.405
81 H TRP 12 H TRP 12 -8.994 -0.199 -1.315
82 HA TRP 12 HA TRP 12 -7.752 -1.604 0.725
83 1HB TRP 12 1HB TRP 12 -9.867 -2.114 1.193
84 2HB TRP 12 2HB TRP 12 -10.331 -1.309 -0.313
85 HD1 TRP 12 HD TRP 12 -11.718 -2.716 -1.863
86 HE1 TRP 12 1HE TRP 12 -12.147 -5.191 -2.283
87 HE3 TRP 12 3HE TRP 12 -8.379 -4.691 1.476
88 HZ2 TRP 12 2HZ TRP 12 -11.167 -7.728 -1.294
89 HZ3 TRP 12 3HZ TRP 12 -8.156 -7.137 1.708
90 HH2 TRP 12 HH TRP 12 -9.539 -8.666 0.335
91 H LYS 13 H LYS 13 -8.139 -2.488 -2.684
92 HA LYS 13 HA LYS 13 -7.259 -5.233 -2.250
93 1HB LYS 13 1HB LYS 13 -8.357 -3.602 -4.416
94 2HB LYS 13 2HB LYS 13 -7.006 -4.622 -4.966
95 1HG LYS 13 1HG LYS 13 -8.947 -5.944 -3.137
96 2HG LYS 13 2HG LYS 13 -9.582 -5.507 -4.741
97 1HD LYS 13 1HD LYS 13 -7.160 -6.550 -5.441
98 2HD LYS 13 2HD LYS 13 -7.515 -7.514 -3.987
99 1HE LYS 13 1HE LYS 13 -8.821 -8.798 -5.305
100 2HE LYS 13 2HE LYS 13 -9.954 -7.430 -5.346
101 1HZ LYS 13 1HZ LYS 13 -7.788 -7.218 -7.184
102 2HZ LYS 13 2HZ LYS 13 -8.777 -8.507 -7.472
103 3HZ LYS 13 3HZ LYS 13 -9.404 -6.983 -7.417
104 H LEU 14 H LEU 14 -5.852 -2.101 -3.113
105 HA LEU 14 HA LEU 14 -3.386 -3.055 -4.157
106 1HB LEU 14 1HB LEU 14 -4.620 -0.584 -3.687
107 2HB LEU 14 2HB LEU 14 -3.170 -0.560 -2.655
108 HG LEU 14 HG LEU 14 -2.475 0.270 -4.795
109 1HD1 LEU 14 1HD1 LEU 14 -1.025 -1.491 -3.707
110 2HD1 LEU 14 2HD1 LEU 14 -1.790 -2.697 -4.770
111 3HD1 LEU 14 3HD1 LEU 14 -0.826 -1.376 -5.472
112 1HD2 LEU 14 1HD2 LEU 14 -4.232 -0.328 -6.260
113 2HD2 LEU 14 2HD2 LEU 14 -2.857 -1.297 -6.841
114 3HD2 LEU 14 3HD2 LEU 14 -4.118 -2.053 -5.838
115 H LEU 15 H LEU 15 -4.492 -2.294 -0.837
116 HA LEU 15 HA LEU 15 -1.883 -2.827 0.320
117 1HB LEU 15 1HB LEU 15 -4.521 -2.795 1.803
118 2HB LEU 15 2HB LEU 15 -2.909 -2.303 2.376
119 HG LEU 15 HG LEU 15 -3.961 -0.855 -0.013
120 1HD1 LEU 15 1HD1 LEU 15 -6.004 -0.903 1.260
121 2HD1 LEU 15 2HD1 LEU 15 -5.134 -0.600 2.783
122 3HD1 LEU 15 3HD1 LEU 15 -5.254 0.684 1.555
123 1HD2 LEU 15 1HD2 LEU 15 -1.774 -0.365 1.084
124 2HD2 LEU 15 2HD2 LEU 15 -2.879 1.029 1.134
125 3HD2 LEU 15 3HD2 LEU 15 -2.640 0.030 2.588
126 H LYS 16 H LYS 16 -4.101 -4.809 -1.136
127 HA LYS 16 HA LYS 16 -4.039 -6.982 0.822
128 1HB LYS 16 1HB LYS 16 -5.735 -6.242 -1.247
129 2HB LYS 16 2HB LYS 16 -4.853 -7.631 -1.927
130 1HG LYS 16 1HG LYS 16 -5.334 -8.669 0.484
131 2HG LYS 16 2HG LYS 16 -6.678 -7.501 0.461
132 1HD LYS 16 1HD LYS 16 -7.848 -8.899 -0.862
133 2HD LYS 16 2HD LYS 16 -6.586 -8.754 -2.109
134 1HE LYS 16 1HE LYS 16 -6.459 -11.024 -1.735
135 2HE LYS 16 2HE LYS 16 -5.323 -10.471 -0.485
136 1HZ LYS 16 1HZ LYS 16 -6.683 -11.800 0.693
137 2HZ LYS 16 2HZ LYS 16 -7.477 -10.370 0.900
138 3HZ LYS 16 3HZ LYS 16 -8.029 -11.468 -0.200
139 H LYS 17 H LYS 17 -1.596 -5.711 -0.724
140 HA LYS 17 HA LYS 17 -0.160 -8.216 -0.936
141 1HB LYS 17 1HB LYS 17 -0.346 -8.591 -3.139
142 2HB LYS 17 2HB LYS 17 -1.466 -7.215 -3.277
143 1HG LYS 17 1HG LYS 17 1.567 -6.942 -3.259
144 2HG LYS 17 2HG LYS 17 0.587 -7.026 -4.742
145 1HD LYS 17 1HD LYS 17 -0.617 -5.098 -2.988
146 2HD LYS 17 2HD LYS 17 1.123 -4.741 -3.089
147 1HE LYS 17 1HE LYS 17 0.149 -3.569 -4.914
148 2HE LYS 17 2HE LYS 17 0.873 -5.024 -5.631
149 1HZ LYS 17 1HZ LYS 17 -1.096 -5.464 -6.427
150 2HZ LYS 17 2HZ LYS 17 -1.670 -5.694 -4.899
151 3HZ LYS 17 3HZ LYS 17 -1.800 -4.214 -5.615
152 H TRP 18 H TRP 18 -0.373 -4.702 -1.467
153 HA TRP 18 HA TRP 18 2.507 -4.342 -1.464
154 1HB TRP 18 1HB TRP 18 0.565 -2.888 -2.481
155 2HB TRP 18 2HB TRP 18 0.510 -2.179 -0.861
156 HD1 TRP 18 HD TRP 18 3.180 -2.846 -3.587
157 HE1 TRP 18 1HE TRP 18 4.811 -0.891 -3.660
158 HE3 TRP 18 3HE TRP 18 1.264 -0.053 0.251
159 HZ2 TRP 18 2HZ TRP 18 5.241 1.589 -2.231
160 HZ3 TRP 18 3HZ TRP 18 2.310 2.096 0.865
161 HH2 TRP 18 HH TRP 18 4.294 2.929 -0.363
162 H LYS 19 H LYS 19 -0.111 -4.391 0.907
163 HA LYS 19 HA LYS 19 0.820 -2.992 3.044
164 1HB LYS 19 1HB LYS 19 -1.172 -4.186 3.372
165 2HB LYS 19 2HB LYS 19 -0.452 -5.725 2.842
166 1HG LYS 19 1HG LYS 19 0.556 -6.116 4.882
167 2HG LYS 19 2HG LYS 19 0.765 -4.383 5.231
168 1HD LYS 19 1HD LYS 19 -1.268 -4.222 6.245
169 2HD LYS 19 2HD LYS 19 -2.059 -5.257 5.033
170 1HE LYS 19 1HE LYS 19 -0.479 -7.096 6.255
171 2HE LYS 19 2HE LYS 19 -0.754 -5.985 7.614
172 1HZ LYS 19 1HZ LYS 19 -2.762 -7.402 6.023
173 2HZ LYS 19 2HZ LYS 19 -2.459 -7.543 7.638
174 3HZ LYS 19 3HZ LYS 19 -3.141 -6.164 7.045
175 H MET 20 H MET 20 2.172 -6.023 1.756
176 HA MET 20 HA MET 20 3.904 -6.639 3.901
177 1HB MET 20 1HB MET 20 4.047 -8.382 2.476
178 2HB MET 20 2HB MET 20 3.540 -7.389 1.089
179 1HG MET 20 1HG MET 20 6.119 -6.480 1.812
180 2HG MET 20 2HG MET 20 6.198 -8.249 1.866
181 1HE MET 20 1HE MET 20 4.275 -6.275 -1.774
182 2HE MET 20 2HE MET 20 3.884 -6.056 -0.052
183 3HE MET 20 3HE MET 20 5.235 -5.153 -0.780
184 H ARG 21 H ARG 21 4.378 -4.585 0.991
185 HA ARG 21 HA ARG 21 7.039 -3.792 1.958
186 1HB ARG 21 1HB ARG 21 5.403 -3.305 -0.539
187 2HB ARG 21 2HB ARG 21 6.857 -2.339 -0.190
188 1HG ARG 21 1HG ARG 21 8.285 -4.167 -0.384
189 2HG ARG 21 2HG ARG 21 7.013 -5.338 0.041
190 1HD ARG 21 1HD ARG 21 5.941 -4.346 -2.229
191 2HD ARG 21 2HD ARG 21 7.659 -4.078 -2.594
192 HE ARG 21 HE ARG 21 7.668 -6.656 -1.736
193 1HH1 ARG 21 2HH2 ARG 21 5.650 -4.893 -4.042
194 2HH1 ARG 21 1HH2 ARG 21 5.343 -6.289 -5.051
195 1HH2 ARG 21 2HH1 ARG 21 7.263 -8.501 -3.069
196 2HH2 ARG 21 1HH1 ARG 21 6.264 -8.346 -4.496
197 H ARG 22 H ARG 22 3.737 -2.507 1.606
198 HA ARG 22 HA ARG 22 4.367 0.209 2.198
199 1HB ARG 22 1HB ARG 22 2.134 0.496 1.949
200 2HB ARG 22 2HB ARG 22 2.127 -1.208 1.435
201 1HG ARG 22 1HG ARG 22 0.587 -1.380 3.136
202 2HG ARG 22 2HG ARG 22 2.061 -1.564 4.117
203 1HD ARG 22 1HD ARG 22 1.779 1.197 3.891
204 2HD ARG 22 2HD ARG 22 0.103 0.631 4.053
205 HE ARG 22 HE ARG 22 1.995 -0.522 5.973
206 1HH1 ARG 22 2HH2 ARG 22 -0.316 2.051 5.235
207 2HH1 ARG 22 1HH2 ARG 22 -0.621 2.444 6.912
208 1HH2 ARG 22 2HH1 ARG 22 1.592 -0.002 8.188
209 2HH2 ARG 22 1HH1 ARG 22 0.467 1.274 8.596
210 H ASN 23 H ASN 23 5.297 -2.223 4.011
211 HA ASN 23 HA ASN 23 4.826 -0.731 6.530
212 1HB ASN 23 1HB ASN 23 3.401 -2.991 5.974
213 2HB ASN 23 2HB ASN 23 4.841 -3.690 6.746
214 1HD2 ASN 23 1HD2 ASN 23 2.849 -4.229 8.256
215 2HD2 ASN 23 2HD2 ASN 23 2.616 -3.109 9.581
216 H GLN 24 H GLN 24 7.019 -1.446 4.373
217 HA GLN 24 HA GLN 24 9.185 -1.516 6.282
218 1HB GLN 24 1HB GLN 24 8.501 -3.986 4.663
219 2HB GLN 24 2HB GLN 24 10.153 -3.662 5.239
220 1HG GLN 24 1HG GLN 24 8.882 -3.232 7.545
221 2HG GLN 24 2HG GLN 24 7.664 -4.291 6.802
222 1HE2 GLN 24 1HE2 GLN 24 7.992 -6.069 8.157
223 2HE2 GLN 24 2HE2 GLN 24 9.468 -7.010 8.146
224 H PHE 25 H PHE 25 9.674 -3.152 3.248
225 HA PHE 25 HA PHE 25 11.630 -1.596 2.215
226 1HB PHE 25 1HB PHE 25 11.047 -3.517 1.010
227 2HB PHE 25 2HB PHE 25 9.344 -3.044 0.889
228 HD1 PHE 25 1HD PHE 25 9.009 -0.674 -0.383
229 HD2 PHE 25 2HD PHE 25 12.305 -3.376 -0.920
230 HE1 PHE 25 1HE PHE 25 9.435 0.292 -2.627
231 HE2 PHE 25 2HE PHE 25 12.732 -2.409 -3.164
232 HZ PHE 25 HZ PHE 25 11.297 -0.576 -4.018
233 H TRP 26 H TRP 26 8.120 -0.899 2.021
234 HA TRP 26 HA TRP 26 8.060 1.235 0.292
235 1HB TRP 26 1HB TRP 26 6.065 1.836 1.299
236 2HB TRP 26 2HB TRP 26 6.224 0.136 1.760
237 HD1 TRP 26 HD TRP 26 6.290 -0.433 4.261
238 HE1 TRP 26 1HE TRP 26 6.109 0.880 6.436
239 HE3 TRP 26 3HE TRP 26 6.755 4.306 2.384
240 HZ2 TRP 26 2HZ TRP 26 6.157 3.650 7.271
241 HZ3 TRP 26 3HZ TRP 26 6.682 6.253 3.898
242 HH2 TRP 26 HH TRP 26 6.385 5.944 6.337
243 H VAL 27 H VAL 27 9.107 1.256 3.721
244 HA VAL 27 HA VAL 27 9.404 3.904 4.270
245 HB VAL 27 HB VAL 27 11.282 3.300 5.684
246 1HG1 VAL 27 1HG1 VAL 27 9.736 2.242 6.939
247 2HG1 VAL 27 2HG1 VAL 27 8.834 1.758 5.483
248 3HG1 VAL 27 3HG1 VAL 27 10.149 0.728 6.098
249 1HG2 VAL 27 1HG2 VAL 27 12.113 0.823 5.370
250 2HG2 VAL 27 2HG2 VAL 27 11.506 1.022 3.709
251 3HG2 VAL 27 3HG2 VAL 27 12.778 2.103 4.328
252 H LYS 28 H LYS 28 11.549 1.939 2.172
253 HA LYS 28 HA LYS 28 13.420 4.042 1.667
254 1HB LYS 28 1HB LYS 28 12.720 1.397 0.407
255 2HB LYS 28 2HB LYS 28 13.813 2.514 -0.445
256 1HG LYS 28 1HG LYS 28 14.768 2.582 2.164
257 2HG LYS 28 2HG LYS 28 14.291 0.879 1.961
258 1HD LYS 28 1HD LYS 28 15.666 0.658 -0.019
259 2HD LYS 28 2HD LYS 28 15.998 2.406 -0.045
260 1HE LYS 28 1HE LYS 28 17.588 2.255 1.576
261 2HE LYS 28 2HE LYS 28 16.656 1.066 2.513
262 1HZ LYS 28 1HZ LYS 28 18.356 0.568 0.180
263 2HZ LYS 28 2HZ LYS 28 18.559 0.012 1.719
264 3HZ LYS 28 3HZ LYS 28 17.317 -0.556 0.794
265 H VAL 29 H VAL 29 10.386 2.986 0.117
266 HA VAL 29 HA VAL 29 10.454 4.324 -2.286
267 HB VAL 29 HB VAL 29 8.169 4.076 -0.292
268 1HG1 VAL 29 1HG1 VAL 29 7.227 5.625 -1.699
269 2HG1 VAL 29 2HG1 VAL 29 8.374 5.280 -3.016
270 3HG1 VAL 29 3HG1 VAL 29 6.988 4.198 -2.736
271 1HG2 VAL 29 1HG2 VAL 29 9.336 1.989 -1.217
272 2HG2 VAL 29 2HG2 VAL 29 7.586 2.104 -1.524
273 3HG2 VAL 29 3HG2 VAL 29 8.744 2.488 -2.820
274 H GLN 30 H GLN 30 10.656 5.692 0.881
275 HA GLN 30 HA GLN 30 9.852 8.368 -0.092
276 1HB GLN 30 1HB GLN 30 9.430 8.876 2.091
277 2HB GLN 30 2HB GLN 30 9.353 7.106 2.264
278 1HG GLN 30 1HG GLN 30 11.844 7.145 2.745
279 2HG GLN 30 2HG GLN 30 11.737 8.918 2.801
280 1HE2 GLN 30 1HE2 GLN 30 12.622 7.492 5.027
281 2HE2 GLN 30 2HE2 GLN 30 11.416 7.579 6.293
282 H ARG 31 H ARG 31 12.643 6.544 1.208
283 HA ARG 31 HA ARG 31 14.821 7.338 1.589
284 1HB ARG 31 1HB ARG 31 14.954 6.219 -0.522
285 2HB ARG 31 2HB ARG 31 14.216 7.596 -1.376
286 1HG ARG 31 1HG ARG 31 16.225 8.591 -1.622
287 2HG ARG 31 2HG ARG 31 16.546 8.472 0.124
288 1HD ARG 31 1HD ARG 31 17.170 6.044 -0.253
289 2HD ARG 31 2HD ARG 31 17.061 6.355 -1.999
290 HE ARG 31 HE ARG 31 19.161 7.253 -0.163
291 1HH1 ARG 31 2HH2 ARG 31 17.562 7.651 -3.291
292 2HH1 ARG 31 1HH2 ARG 31 18.938 8.422 -4.050
293 1HH2 ARG 31 2HH1 ARG 31 20.977 8.271 -1.165
294 2HH2 ARG 31 1HH1 ARG 31 20.884 8.775 -2.837
295 H GLY 32 H GLY 32 14.503 9.510 -1.150
296 1HA GLY 32 1HA GLY 32 13.898 11.894 0.321
297 2HA GLY 32 2HA GLY 32 15.656 11.710 0.129
Start of MODEL 27
1 HA PRO 1 HA PRO 1 -21.852 9.679 -0.690
2 1HB PRO 1 1HB PRO 1 -21.022 8.144 1.402
3 2HB PRO 1 2HB PRO 1 -21.322 9.904 1.581
4 1HG PRO 1 1HG PRO 1 -23.234 7.639 2.220
5 2HG PRO 1 2HG PRO 1 -22.755 8.995 3.293
6 1HD PRO 1 1HD PRO 1 -25.041 9.094 1.811
7 2HD PRO 1 2HD PRO 1 -24.019 10.551 2.000
8 HA PRO 2 HA PRO 2 -22.373 5.775 -2.675
9 1HB PRO 2 1HB PRO 2 -19.797 5.194 -3.349
10 2HB PRO 2 2HB PRO 2 -20.668 6.594 -4.058
11 1HG PRO 2 1HG PRO 2 -18.788 6.611 -1.679
12 2HG PRO 2 2HG PRO 2 -18.714 7.660 -3.132
13 1HD PRO 2 1HD PRO 2 -19.924 8.494 -0.836
14 2HD PRO 2 2HD PRO 2 -20.640 8.879 -2.430
15 H LEU 3 H LEU 3 -21.261 6.207 0.402
16 HA LEU 3 HA LEU 3 -20.586 4.822 2.110
17 1HB LEU 3 1HB LEU 3 -22.923 3.858 0.889
18 2HB LEU 3 2HB LEU 3 -21.903 2.417 1.116
19 HG LEU 3 HG LEU 3 -21.500 3.625 3.507
20 1HD1 LEU 3 1HD1 LEU 3 -24.164 4.582 2.433
21 2HD1 LEU 3 2HD1 LEU 3 -23.924 4.333 4.179
22 3HD1 LEU 3 3HD1 LEU 3 -22.911 5.503 3.300
23 1HD2 LEU 3 1HD2 LEU 3 -22.539 1.306 2.729
24 2HD2 LEU 3 2HD2 LEU 3 -22.796 1.902 4.387
25 3HD2 LEU 3 3HD2 LEU 3 -24.073 2.098 3.162
26 H SER 4 H SER 4 -18.371 4.963 1.010
27 HA SER 4 HA SER 4 -16.415 3.936 0.411
28 1HB SER 4 1HB SER 4 -16.043 1.691 1.260
29 2HB SER 4 2HB SER 4 -17.001 2.601 2.452
30 HG SER 4 HG SER 4 -18.502 1.313 0.552
31 H GLN 5 H GLN 5 -15.886 3.779 -1.680
32 HA GLN 5 HA GLN 5 -16.296 1.548 -3.282
33 1HB GLN 5 1HB GLN 5 -18.700 3.126 -3.030
34 2HB GLN 5 2HB GLN 5 -18.106 3.215 -4.705
35 1HG GLN 5 1HG GLN 5 -17.814 0.662 -4.564
36 2HG GLN 5 2HG GLN 5 -18.785 0.744 -3.078
37 1HE2 GLN 5 1HE2 GLN 5 -20.999 1.045 -3.196
38 2HE2 GLN 5 2HE2 GLN 5 -21.880 1.148 -4.705
39 H GLU 6 H GLU 6 -16.678 5.126 -3.633
40 HA GLU 6 HA GLU 6 -15.518 5.636 -6.007
41 1HB GLU 6 1HB GLU 6 -15.814 7.027 -3.521
42 2HB GLU 6 2HB GLU 6 -14.183 7.362 -4.149
43 1HG GLU 6 1HG GLU 6 -16.510 7.438 -6.053
44 2HG GLU 6 2HG GLU 6 -16.279 8.802 -4.938
45 H THR 7 H THR 7 -13.345 5.816 -3.150
46 HA THR 7 HA THR 7 -11.082 5.080 -4.828
47 HB THR 7 HB THR 7 -11.064 5.319 -1.813
48 HG1 THR 7 1HG THR 7 -11.673 7.298 -2.029
49 1HG2 THR 7 1HG2 THR 7 -9.116 4.874 -3.770
50 2HG2 THR 7 2HG2 THR 7 -8.981 6.615 -3.425
51 3HG2 THR 7 3HG2 THR 7 -8.822 5.431 -2.105
52 H PHE 8 H PHE 8 -11.363 3.822 -1.550
53 HA PHE 8 HA PHE 8 -10.510 1.607 -1.105
54 1HB PHE 8 1HB PHE 8 -13.378 1.102 -1.891
55 2HB PHE 8 2HB PHE 8 -12.466 0.446 -0.521
56 HD1 PHE 8 1HD PHE 8 -13.010 3.960 -1.741
57 HD2 PHE 8 2HD PHE 8 -13.482 1.124 1.450
58 HE1 PHE 8 1HE PHE 8 -13.912 5.751 -0.282
59 HE2 PHE 8 2HE PHE 8 -14.384 2.915 2.909
60 HZ PHE 8 HZ PHE 8 -14.599 5.229 2.043
61 H SER 9 H SER 9 -12.603 1.658 -4.043
62 HA SER 9 HA SER 9 -11.682 -0.889 -4.985
63 1HB SER 9 1HB SER 9 -13.788 0.654 -5.583
64 2HB SER 9 2HB SER 9 -12.694 1.201 -6.877
65 HG SER 9 HG SER 9 -14.135 -0.902 -6.965
66 H ASP 10 H ASP 10 -9.349 0.169 -4.280
67 HA ASP 10 HA ASP 10 -7.589 -0.112 -6.276
68 1HB ASP 10 1HB ASP 10 -8.434 1.405 -7.816
69 2HB ASP 10 2HB ASP 10 -8.961 2.548 -6.562
70 H LEU 11 H LEU 11 -8.617 2.069 -3.675
71 HA LEU 11 HA LEU 11 -5.872 2.741 -2.942
72 1HB LEU 11 1HB LEU 11 -8.423 3.835 -2.505
73 2HB LEU 11 2HB LEU 11 -7.897 3.249 -0.908
74 HG LEU 11 HG LEU 11 -5.605 4.381 -1.573
75 1HD1 LEU 11 1HD1 LEU 11 -7.063 6.514 -2.907
76 2HD1 LEU 11 2HD1 LEU 11 -5.595 5.657 -3.433
77 3HD1 LEU 11 3HD1 LEU 11 -7.200 4.997 -3.829
78 1HD2 LEU 11 1HD2 LEU 11 -7.184 6.661 -0.994
79 2HD2 LEU 11 2HD2 LEU 11 -8.030 5.283 -0.251
80 3HD2 LEU 11 3HD2 LEU 11 -6.333 5.616 0.168
81 H TRP 12 H TRP 12 -8.522 1.353 -0.934
82 HA TRP 12 HA TRP 12 -6.888 0.168 0.976
83 1HB TRP 12 1HB TRP 12 -8.877 -0.404 1.793
84 2HB TRP 12 2HB TRP 12 -9.614 0.236 0.318
85 HD1 TRP 12 HD TRP 12 -11.157 -1.381 -0.818
86 HE1 TRP 12 1HE TRP 12 -11.442 -3.906 -1.000
87 HE3 TRP 12 3HE TRP 12 -7.106 -2.852 1.943
88 HZ2 TRP 12 2HZ TRP 12 -10.083 -6.284 -0.064
89 HZ3 TRP 12 3HZ TRP 12 -6.634 -5.251 2.275
90 HH2 TRP 12 HH TRP 12 -8.109 -6.975 1.281
91 H LYS 13 H LYS 13 -7.915 -1.081 -2.209
92 HA LYS 13 HA LYS 13 -6.878 -3.718 -1.845
93 1HB LYS 13 1HB LYS 13 -8.406 -2.444 -3.729
94 2HB LYS 13 2HB LYS 13 -6.848 -2.578 -4.580
95 1HG LYS 13 1HG LYS 13 -6.907 -5.055 -3.625
96 2HG LYS 13 2HG LYS 13 -8.659 -4.752 -3.546
97 1HD LYS 13 1HD LYS 13 -8.413 -3.902 -5.990
98 2HD LYS 13 2HD LYS 13 -6.839 -4.732 -5.970
99 1HE LYS 13 1HE LYS 13 -9.371 -6.140 -5.088
100 2HE LYS 13 2HE LYS 13 -8.916 -6.058 -6.804
101 1HZ LYS 13 1HZ LYS 13 -7.667 -7.489 -4.635
102 2HZ LYS 13 2HZ LYS 13 -7.860 -7.918 -6.216
103 3HZ LYS 13 3HZ LYS 13 -6.667 -6.863 -5.788
104 H LEU 14 H LEU 14 -5.469 -0.630 -2.895
105 HA LEU 14 HA LEU 14 -3.072 -1.624 -4.015
106 1HB LEU 14 1HB LEU 14 -4.202 0.910 -3.203
107 2HB LEU 14 2HB LEU 14 -2.506 0.812 -2.674
108 HG LEU 14 HG LEU 14 -3.115 1.638 -5.127
109 1HD1 LEU 14 1HD1 LEU 14 -0.848 0.743 -3.870
110 2HD1 LEU 14 2HD1 LEU 14 -0.962 -0.406 -5.224
111 3HD1 LEU 14 3HD1 LEU 14 -0.890 1.343 -5.545
112 1HD2 LEU 14 1HD2 LEU 14 -2.631 -1.167 -5.937
113 2HD2 LEU 14 2HD2 LEU 14 -4.233 -0.885 -5.213
114 3HD2 LEU 14 3HD2 LEU 14 -3.724 0.051 -6.640
115 H LEU 15 H LEU 15 -3.867 -0.638 -0.644
116 HA LEU 15 HA LEU 15 -1.252 -1.333 0.356
117 1HB LEU 15 1HB LEU 15 -3.841 -0.346 1.409
118 2HB LEU 15 2HB LEU 15 -2.900 -1.343 2.544
119 HG LEU 15 HG LEU 15 -0.880 0.103 1.946
120 1HD1 LEU 15 1HD1 LEU 15 -1.069 1.735 0.396
121 2HD1 LEU 15 2HD1 LEU 15 -2.662 1.055 -0.015
122 3HD1 LEU 15 3HD1 LEU 15 -2.538 2.378 1.170
123 1HD2 LEU 15 1HD2 LEU 15 -2.436 2.179 3.088
124 2HD2 LEU 15 2HD2 LEU 15 -3.177 0.656 3.636
125 3HD2 LEU 15 3HD2 LEU 15 -1.453 0.969 3.948
126 H LYS 16 H LYS 16 -3.800 -3.201 -0.793
127 HA LYS 16 HA LYS 16 -3.586 -5.354 1.167
128 1HB LYS 16 1HB LYS 16 -5.629 -4.640 -0.316
129 2HB LYS 16 2HB LYS 16 -4.825 -5.613 -1.571
130 1HG LYS 16 1HG LYS 16 -4.640 -7.424 0.326
131 2HG LYS 16 2HG LYS 16 -5.942 -6.488 1.099
132 1HD LYS 16 1HD LYS 16 -7.290 -7.822 -0.184
133 2HD LYS 16 2HD LYS 16 -6.897 -6.636 -1.452
134 1HE LYS 16 1HE LYS 16 -6.264 -8.533 -2.579
135 2HE LYS 16 2HE LYS 16 -4.747 -8.244 -1.700
136 1HZ LYS 16 1HZ LYS 16 -6.683 -9.751 -0.251
137 2HZ LYS 16 2HZ LYS 16 -6.150 -10.497 -1.622
138 3HZ LYS 16 3HZ LYS 16 -5.071 -10.024 -0.468
139 H LYS 17 H LYS 17 -1.257 -4.273 -0.612
140 HA LYS 17 HA LYS 17 0.042 -6.800 -0.928
141 1HB LYS 17 1HB LYS 17 -0.551 -7.386 -3.010
142 2HB LYS 17 2HB LYS 17 -1.615 -5.963 -3.120
143 1HG LYS 17 1HG LYS 17 1.376 -6.015 -3.708
144 2HG LYS 17 2HG LYS 17 0.074 -5.920 -4.917
145 1HD LYS 17 1HD LYS 17 -0.458 -3.871 -3.028
146 2HD LYS 17 2HD LYS 17 1.288 -3.789 -3.365
147 1HE LYS 17 1HE LYS 17 0.322 -2.439 -5.047
148 2HE LYS 17 2HE LYS 17 0.615 -3.993 -5.859
149 1HZ LYS 17 1HZ LYS 17 -1.547 -3.244 -6.359
150 2HZ LYS 17 2HZ LYS 17 -1.692 -4.549 -5.361
151 3HZ LYS 17 3HZ LYS 17 -1.932 -3.028 -4.770
152 H TRP 18 H TRP 18 -0.225 -3.339 -1.354
153 HA TRP 18 HA TRP 18 2.656 -3.086 -1.939
154 1HB TRP 18 1HB TRP 18 0.517 -1.704 -2.832
155 2HB TRP 18 2HB TRP 18 0.925 -0.721 -1.419
156 HD1 TRP 18 HD TRP 18 2.088 -1.597 -4.901
157 HE1 TRP 18 1HE TRP 18 4.018 -0.092 -5.605
158 HE3 TRP 18 3HE TRP 18 3.033 0.660 -0.405
159 HZ2 TRP 18 2HZ TRP 18 5.767 1.859 -4.375
160 HZ3 TRP 18 3HZ TRP 18 4.836 2.333 -0.211
161 HH2 TRP 18 HH TRP 18 6.209 2.942 -2.181
162 H LYS 19 H LYS 19 0.285 -2.657 0.658
163 HA LYS 19 HA LYS 19 1.779 -1.063 2.420
164 1HB LYS 19 1HB LYS 19 -0.638 -1.862 2.618
165 2HB LYS 19 2HB LYS 19 0.018 -3.396 3.239
166 1HG LYS 19 1HG LYS 19 1.413 -1.699 4.797
167 2HG LYS 19 2HG LYS 19 -0.011 -0.676 4.496
168 1HD LYS 19 1HD LYS 19 -0.958 -1.830 6.212
169 2HD LYS 19 2HD LYS 19 -1.163 -3.134 5.017
170 1HE LYS 19 1HE LYS 19 1.396 -3.610 5.736
171 2HE LYS 19 2HE LYS 19 0.818 -2.865 7.242
172 1HZ LYS 19 1HZ LYS 19 -0.813 -4.485 7.444
173 2HZ LYS 19 2HZ LYS 19 -0.599 -5.053 5.910
174 3HZ LYS 19 3HZ LYS 19 0.562 -5.307 7.054
175 H MET 20 H MET 20 1.713 -4.649 2.069
176 HA MET 20 HA MET 20 3.284 -5.549 4.050
177 1HB MET 20 1HB MET 20 4.474 -6.942 2.132
178 2HB MET 20 2HB MET 20 2.746 -7.175 2.487
179 1HG MET 20 1HG MET 20 2.257 -6.596 0.384
180 2HG MET 20 2HG MET 20 2.909 -4.980 0.704
181 1HE MET 20 1HE MET 20 4.053 -3.978 -0.660
182 2HE MET 20 2HE MET 20 5.491 -4.462 -1.591
183 3HE MET 20 3HE MET 20 3.863 -4.788 -2.234
184 H ARG 21 H ARG 21 4.661 -4.086 1.050
185 HA ARG 21 HA ARG 21 7.312 -3.965 2.235
186 1HB ARG 21 1HB ARG 21 6.023 -3.171 -0.366
187 2HB ARG 21 2HB ARG 21 7.609 -2.485 0.062
188 1HG ARG 21 1HG ARG 21 8.435 -4.827 0.485
189 2HG ARG 21 2HG ARG 21 6.881 -5.437 -0.134
190 1HD ARG 21 1HD ARG 21 8.912 -5.225 -1.777
191 2HD ARG 21 2HD ARG 21 7.305 -4.688 -2.312
192 HE ARG 21 HE ARG 21 9.026 -2.641 -1.078
193 1HH1 ARG 21 2HH2 ARG 21 7.781 -4.180 -4.007
194 2HH1 ARG 21 1HH2 ARG 21 8.163 -2.825 -5.046
195 1HH2 ARG 21 2HH1 ARG 21 9.530 -0.851 -2.450
196 2HH2 ARG 21 1HH1 ARG 21 9.160 -0.927 -4.158
197 H ARG 22 H ARG 22 4.661 -1.670 1.483
198 HA ARG 22 HA ARG 22 6.051 0.688 2.241
199 1HB ARG 22 1HB ARG 22 3.898 0.547 0.940
200 2HB ARG 22 2HB ARG 22 3.070 0.124 2.458
201 1HG ARG 22 1HG ARG 22 4.643 2.383 3.078
202 2HG ARG 22 2HG ARG 22 3.924 2.737 1.489
203 1HD ARG 22 1HD ARG 22 2.475 3.451 3.403
204 2HD ARG 22 2HD ARG 22 1.692 2.264 2.338
205 HE ARG 22 HE ARG 22 2.918 0.756 4.328
206 1HH1 ARG 22 2HH2 ARG 22 0.538 3.365 4.159
207 2HH1 ARG 22 1HH2 ARG 22 -0.319 2.861 5.598
208 1HH2 ARG 22 2HH1 ARG 22 1.786 0.090 6.229
209 2HH2 ARG 22 1HH1 ARG 22 0.392 0.993 6.778
210 H ASN 23 H ASN 23 6.133 -1.772 4.108
211 HA ASN 23 HA ASN 23 5.755 -0.191 6.573
212 1HB ASN 23 1HB ASN 23 3.835 -2.024 5.767
213 2HB ASN 23 2HB ASN 23 4.865 -2.978 6.857
214 1HD2 ASN 23 1HD2 ASN 23 5.267 -2.139 9.044
215 2HD2 ASN 23 2HD2 ASN 23 4.064 -1.122 9.806
216 H GLN 24 H GLN 24 7.888 -1.539 4.704
217 HA GLN 24 HA GLN 24 9.688 -2.220 6.840
218 1HB GLN 24 1HB GLN 24 10.007 -4.613 5.699
219 2HB GLN 24 2HB GLN 24 8.846 -4.361 7.025
220 1HG GLN 24 1HG GLN 24 7.006 -4.431 5.614
221 2HG GLN 24 2HG GLN 24 7.930 -3.864 4.206
222 1HE2 GLN 24 1HE2 GLN 24 6.934 -5.631 2.997
223 2HE2 GLN 24 2HE2 GLN 24 7.580 -7.252 3.139
224 H PHE 25 H PHE 25 10.015 -4.082 3.929
225 HA PHE 25 HA PHE 25 12.446 -3.200 3.121
226 1HB PHE 25 1HB PHE 25 11.416 -4.980 1.948
227 2HB PHE 25 2HB PHE 25 10.022 -3.986 1.494
228 HD1 PHE 25 1HD PHE 25 10.780 -1.739 0.139
229 HD2 PHE 25 2HD PHE 25 12.902 -5.473 0.253
230 HE1 PHE 25 1HE PHE 25 11.877 -1.183 -2.015
231 HE2 PHE 25 2HE PHE 25 13.998 -4.916 -1.900
232 HZ PHE 25 HZ PHE 25 13.486 -2.771 -3.034
233 H TRP 26 H TRP 26 9.316 -1.607 2.370
234 HA TRP 26 HA TRP 26 10.056 0.344 0.607
235 1HB TRP 26 1HB TRP 26 8.203 1.522 1.312
236 2HB TRP 26 2HB TRP 26 7.838 -0.105 1.902
237 HD1 TRP 26 HD TRP 26 7.447 -0.408 4.414
238 HE1 TRP 26 1HE TRP 26 7.427 1.109 6.459
239 HE3 TRP 26 3HE TRP 26 9.489 3.794 2.322
240 HZ2 TRP 26 2HZ TRP 26 8.200 3.819 7.118
241 HZ3 TRP 26 3HZ TRP 26 9.831 5.820 3.687
242 HH2 TRP 26 HH TRP 26 9.193 5.850 6.081
243 H VAL 27 H VAL 27 10.673 0.327 4.140
244 HA VAL 27 HA VAL 27 11.653 2.830 4.602
245 HB VAL 27 HB VAL 27 13.085 1.841 6.295
246 1HG1 VAL 27 1HG1 VAL 27 11.218 -0.252 6.688
247 2HG1 VAL 27 2HG1 VAL 27 11.144 1.397 7.355
248 3HG1 VAL 27 3HG1 VAL 27 10.337 1.023 5.812
249 1HG2 VAL 27 1HG2 VAL 27 14.322 0.154 5.245
250 2HG2 VAL 27 2HG2 VAL 27 13.167 -0.795 6.212
251 3HG2 VAL 27 3HG2 VAL 27 12.885 -0.556 4.470
252 H LYS 28 H LYS 28 13.372 0.159 2.932
253 HA LYS 28 HA LYS 28 15.823 1.593 2.596
254 1HB LYS 28 1HB LYS 28 14.538 -0.823 1.318
255 2HB LYS 28 2HB LYS 28 16.056 -0.156 0.670
256 1HG LYS 28 1HG LYS 28 17.174 -1.256 2.290
257 2HG LYS 28 2HG LYS 28 16.356 -0.234 3.496
258 1HD LYS 28 1HD LYS 28 14.493 -1.809 3.631
259 2HD LYS 28 2HD LYS 28 15.192 -2.795 2.324
260 1HE LYS 28 1HE LYS 28 16.623 -2.210 4.943
261 2HE LYS 28 2HE LYS 28 15.631 -3.659 4.670
262 1HZ LYS 28 1HZ LYS 28 18.180 -2.927 3.499
263 2HZ LYS 28 2HZ LYS 28 17.667 -4.381 4.086
264 3HZ LYS 28 3HZ LYS 28 17.144 -3.855 2.612
265 H VAL 29 H VAL 29 12.825 1.316 0.685
266 HA VAL 29 HA VAL 29 13.587 2.375 -1.743
267 HB VAL 29 HB VAL 29 11.085 2.943 -0.107
268 1HG1 VAL 29 1HG1 VAL 29 11.880 3.570 -2.959
269 2HG1 VAL 29 2HG1 VAL 29 10.176 3.275 -2.538
270 3HG1 VAL 29 3HG1 VAL 29 11.064 4.612 -1.769
271 1HG2 VAL 29 1HG2 VAL 29 11.708 0.536 -0.711
272 2HG2 VAL 29 2HG2 VAL 29 10.130 1.098 -1.313
273 3HG2 VAL 29 3HG2 VAL 29 11.524 1.013 -2.416
274 H GLN 30 H GLN 30 13.780 3.879 1.356
275 HA GLN 30 HA GLN 30 13.900 6.587 0.162
276 1HB GLN 30 1HB GLN 30 13.369 7.380 2.240
277 2HB GLN 30 2HB GLN 30 12.723 5.734 2.448
278 1HG GLN 30 1HG GLN 30 14.088 6.042 4.350
279 2HG GLN 30 2HG GLN 30 15.117 5.116 3.236
280 1HE2 GLN 30 1HE2 GLN 30 16.661 6.221 4.952
281 2HE2 GLN 30 2HE2 GLN 30 17.367 7.735 4.427
282 H ARG 31 H ARG 31 15.849 4.140 1.883
283 HA ARG 31 HA ARG 31 18.088 4.338 2.590
284 1HB ARG 31 1HB ARG 31 18.139 3.067 0.545
285 2HB ARG 31 2HB ARG 31 18.025 4.544 -0.442
286 1HG ARG 31 1HG ARG 31 20.237 4.922 1.299
287 2HG ARG 31 2HG ARG 31 20.382 3.266 0.662
288 1HD ARG 31 1HD ARG 31 19.567 4.865 -1.525
289 2HD ARG 31 2HD ARG 31 20.823 5.802 -0.688
290 HE ARG 31 HE ARG 31 21.774 3.164 -0.883
291 1HH1 ARG 31 2HH2 ARG 31 20.821 5.816 -3.017
292 2HH1 ARG 31 1HH2 ARG 31 21.917 5.358 -4.301
293 1HH2 ARG 31 2HH1 ARG 31 23.222 2.559 -2.579
294 2HH2 ARG 31 1HH1 ARG 31 23.286 3.502 -4.051
295 H GLY 32 H GLY 32 18.749 6.297 -0.254
296 1HA GLY 32 1HA GLY 32 18.691 8.854 1.049
297 2HA GLY 32 2HA GLY 32 20.333 8.172 1.065
Start of MODEL 28
1 HA PRO 1 HA PRO 1 -18.304 -0.437 -0.058
2 1HB PRO 1 1HB PRO 1 -20.563 0.955 -0.674
3 2HB PRO 1 2HB PRO 1 -20.214 -0.649 -1.397
4 1HG PRO 1 1HG PRO 1 -21.941 -0.061 1.025
5 2HG PRO 1 2HG PRO 1 -22.387 -1.023 -0.421
6 1HD PRO 1 1HD PRO 1 -21.462 -2.214 1.849
7 2HD PRO 1 2HD PRO 1 -20.948 -2.806 0.240
8 HA PRO 2 HA PRO 2 -17.954 2.313 3.454
9 1HB PRO 2 1HB PRO 2 -15.893 3.814 2.492
10 2HB PRO 2 2HB PRO 2 -15.663 2.110 3.004
11 1HG PRO 2 1HG PRO 2 -16.156 3.135 0.193
12 2HG PRO 2 2HG PRO 2 -14.837 2.048 0.740
13 1HD PRO 2 1HD PRO 2 -17.129 1.062 -0.357
14 2HD PRO 2 2HD PRO 2 -16.362 0.238 1.034
15 H LEU 3 H LEU 3 -17.282 4.994 3.129
16 HA LEU 3 HA LEU 3 -19.770 6.022 1.977
17 1HB LEU 3 1HB LEU 3 -17.929 6.767 4.052
18 2HB LEU 3 2HB LEU 3 -18.038 8.107 2.885
19 HG LEU 3 HG LEU 3 -20.649 6.879 3.461
20 1HD1 LEU 3 1HD1 LEU 3 -20.290 6.614 5.699
21 2HD1 LEU 3 2HD1 LEU 3 -18.825 7.625 5.681
22 3HD1 LEU 3 3HD1 LEU 3 -20.432 8.388 5.746
23 1HD2 LEU 3 1HD2 LEU 3 -20.311 9.019 2.267
24 2HD2 LEU 3 2HD2 LEU 3 -21.250 9.265 3.759
25 3HD2 LEU 3 3HD2 LEU 3 -19.525 9.703 3.711
26 H SER 4 H SER 4 -17.046 5.042 0.557
27 HA SER 4 HA SER 4 -17.176 7.214 -1.466
28 1HB SER 4 1HB SER 4 -14.585 5.871 -0.638
29 2HB SER 4 2HB SER 4 -14.807 7.325 -1.641
30 HG SER 4 HG SER 4 -15.047 8.487 0.095
31 H GLN 5 H GLN 5 -14.901 5.759 -2.851
32 HA GLN 5 HA GLN 5 -15.456 3.099 -3.408
33 1HB GLN 5 1HB GLN 5 -17.584 4.804 -4.309
34 2HB GLN 5 2HB GLN 5 -16.736 4.157 -5.734
35 1HG GLN 5 1HG GLN 5 -16.952 1.873 -4.846
36 2HG GLN 5 2HG GLN 5 -17.747 2.500 -3.386
37 1HE2 GLN 5 1HE2 GLN 5 -19.892 2.170 -3.411
38 2HE2 GLN 5 2HE2 GLN 5 -20.925 2.275 -4.821
39 H GLU 6 H GLU 6 -14.913 6.290 -4.963
40 HA GLU 6 HA GLU 6 -13.540 5.783 -7.203
41 1HB GLU 6 1HB GLU 6 -12.708 7.608 -4.921
42 2HB GLU 6 2HB GLU 6 -11.949 7.643 -6.531
43 1HG GLU 6 1HG GLU 6 -14.939 7.716 -6.420
44 2HG GLU 6 2HG GLU 6 -14.073 9.178 -5.900
45 H THR 7 H THR 7 -11.584 6.053 -4.191
46 HA THR 7 HA THR 7 -9.600 4.245 -5.370
47 HB THR 7 HB THR 7 -9.168 5.033 -2.590
48 HG1 THR 7 1HG THR 7 -9.580 7.086 -2.737
49 1HG2 THR 7 1HG2 THR 7 -7.066 5.785 -3.495
50 2HG2 THR 7 2HG2 THR 7 -7.495 4.294 -4.365
51 3HG2 THR 7 3HG2 THR 7 -7.738 5.877 -5.140
52 H PHE 8 H PHE 8 -10.305 4.249 -1.915
53 HA PHE 8 HA PHE 8 -10.135 2.080 -0.796
54 1HB PHE 8 1HB PHE 8 -13.059 2.370 -1.457
55 2HB PHE 8 2HB PHE 8 -12.297 1.929 0.081
56 HD1 PHE 8 1HD PHE 8 -11.908 4.828 -2.288
57 HD2 PHE 8 2HD PHE 8 -12.733 3.504 1.714
58 HE1 PHE 8 1HE PHE 8 -12.055 7.187 -1.537
59 HE2 PHE 8 2HE PHE 8 -12.879 5.863 2.465
60 HZ PHE 8 HZ PHE 8 -12.541 7.705 0.839
61 H SER 9 H SER 9 -12.619 1.863 -3.414
62 HA SER 9 HA SER 9 -12.980 -0.779 -3.693
63 1HB SER 9 1HB SER 9 -13.788 1.053 -5.237
64 2HB SER 9 2HB SER 9 -12.213 0.967 -6.061
65 HG SER 9 HG SER 9 -14.155 -0.420 -6.751
66 H ASP 10 H ASP 10 -10.196 0.869 -5.307
67 HA ASP 10 HA ASP 10 -8.813 -1.764 -5.334
68 1HB ASP 10 1HB ASP 10 -8.517 0.766 -6.983
69 2HB ASP 10 2HB ASP 10 -7.331 -0.557 -7.022
70 H LEU 11 H LEU 11 -8.874 1.382 -3.888
71 HA LEU 11 HA LEU 11 -6.096 1.650 -3.272
72 1HB LEU 11 1HB LEU 11 -8.180 3.307 -3.109
73 2HB LEU 11 2HB LEU 11 -8.223 2.702 -1.436
74 HG LEU 11 HG LEU 11 -6.057 4.253 -2.854
75 1HD1 LEU 11 1HD1 LEU 11 -7.929 4.632 -0.692
76 2HD1 LEU 11 2HD1 LEU 11 -6.274 4.744 -0.048
77 3HD1 LEU 11 3HD1 LEU 11 -6.781 5.802 -1.387
78 1HD2 LEU 11 1HD2 LEU 11 -5.726 2.180 -0.669
79 2HD2 LEU 11 2HD2 LEU 11 -4.744 2.425 -2.133
80 3HD2 LEU 11 3HD2 LEU 11 -4.629 3.577 -0.781
81 H TRP 12 H TRP 12 -8.752 0.965 -0.931
82 HA TRP 12 HA TRP 12 -7.152 -0.029 1.108
83 1HB TRP 12 1HB TRP 12 -9.145 -0.235 2.072
84 2HB TRP 12 2HB TRP 12 -9.889 0.190 0.524
85 HD1 TRP 12 HD TRP 12 -11.622 -1.452 -0.243
86 HE1 TRP 12 1HE TRP 12 -12.143 -3.926 0.065
87 HE3 TRP 12 3HE TRP 12 -7.599 -2.772 2.634
88 HZ2 TRP 12 2HZ TRP 12 -10.964 -6.210 1.396
89 HZ3 TRP 12 3HZ TRP 12 -7.333 -5.102 3.401
90 HH2 TRP 12 HH TRP 12 -9.002 -6.829 2.793
91 H LYS 13 H LYS 13 -8.418 -1.703 -1.778
92 HA LYS 13 HA LYS 13 -7.580 -4.322 -0.951
93 1HB LYS 13 1HB LYS 13 -9.139 -3.265 -2.971
94 2HB LYS 13 2HB LYS 13 -7.682 -3.788 -3.849
95 1HG LYS 13 1HG LYS 13 -8.114 -5.899 -2.111
96 2HG LYS 13 2HG LYS 13 -9.773 -5.402 -2.522
97 1HD LYS 13 1HD LYS 13 -7.679 -5.705 -4.686
98 2HD LYS 13 2HD LYS 13 -8.554 -7.127 -4.070
99 1HE LYS 13 1HE LYS 13 -10.174 -6.586 -5.551
100 2HE LYS 13 2HE LYS 13 -10.577 -5.258 -4.441
101 1HZ LYS 13 1HZ LYS 13 -9.622 -3.773 -5.773
102 2HZ LYS 13 2HZ LYS 13 -8.437 -4.788 -6.306
103 3HZ LYS 13 3HZ LYS 13 -9.954 -4.885 -6.944
104 H LEU 14 H LEU 14 -6.050 -1.615 -2.665
105 HA LEU 14 HA LEU 14 -3.829 -3.012 -3.729
106 1HB LEU 14 1HB LEU 14 -4.686 -0.257 -3.306
107 2HB LEU 14 2HB LEU 14 -2.939 -0.445 -3.023
108 HG LEU 14 HG LEU 14 -3.707 0.028 -5.452
109 1HD1 LEU 14 1HD1 LEU 14 -1.467 -0.619 -5.231
110 2HD1 LEU 14 2HD1 LEU 14 -1.888 -2.199 -4.527
111 3HD1 LEU 14 3HD1 LEU 14 -2.116 -1.912 -6.269
112 1HD2 LEU 14 1HD2 LEU 14 -5.019 -2.551 -4.849
113 2HD2 LEU 14 2HD2 LEU 14 -5.373 -1.363 -6.127
114 3HD2 LEU 14 3HD2 LEU 14 -4.077 -2.560 -6.359
115 H LEU 15 H LEU 15 -4.314 -1.358 -0.573
116 HA LEU 15 HA LEU 15 -1.677 -1.909 0.394
117 1HB LEU 15 1HB LEU 15 -4.290 -0.977 1.531
118 2HB LEU 15 2HB LEU 15 -3.055 -1.582 2.661
119 HG LEU 15 HG LEU 15 -2.439 0.474 0.507
120 1HD1 LEU 15 1HD1 LEU 15 -2.535 1.539 3.206
121 2HD1 LEU 15 2HD1 LEU 15 -3.390 2.098 1.749
122 3HD1 LEU 15 3HD1 LEU 15 -4.110 0.832 2.772
123 1HD2 LEU 15 1HD2 LEU 15 -0.485 0.910 1.928
124 2HD2 LEU 15 2HD2 LEU 15 -1.069 -0.267 3.128
125 3HD2 LEU 15 3HD2 LEU 15 -0.556 -0.820 1.516
126 H LYS 16 H LYS 16 -4.342 -3.931 -0.234
127 HA LYS 16 HA LYS 16 -3.991 -5.781 1.958
128 1HB LYS 16 1HB LYS 16 -5.900 -5.330 -0.004
129 2HB LYS 16 2HB LYS 16 -5.136 -6.849 -0.532
130 1HG LYS 16 1HG LYS 16 -5.382 -7.621 1.920
131 2HG LYS 16 2HG LYS 16 -6.483 -6.237 2.120
132 1HD LYS 16 1HD LYS 16 -8.128 -7.548 1.298
133 2HD LYS 16 2HD LYS 16 -7.300 -7.472 -0.275
134 1HE LYS 16 1HE LYS 16 -7.050 -9.710 -0.099
135 2HE LYS 16 2HE LYS 16 -5.826 -9.364 1.143
136 1HZ LYS 16 1HZ LYS 16 -7.132 -10.258 2.624
137 2HZ LYS 16 2HZ LYS 16 -8.369 -9.229 2.262
138 3HZ LYS 16 3HZ LYS 16 -8.224 -10.660 1.455
139 H LYS 17 H LYS 17 -1.731 -4.903 -0.087
140 HA LYS 17 HA LYS 17 -0.336 -7.421 0.042
141 1HB LYS 17 1HB LYS 17 -1.183 -8.276 -1.881
142 2HB LYS 17 2HB LYS 17 -1.829 -6.704 -2.408
143 1HG LYS 17 1HG LYS 17 1.125 -7.447 -2.485
144 2HG LYS 17 2HG LYS 17 0.024 -7.593 -3.876
145 1HD LYS 17 1HD LYS 17 -0.428 -5.002 -2.886
146 2HD LYS 17 2HD LYS 17 1.336 -5.218 -2.787
147 1HE LYS 17 1HE LYS 17 0.568 -6.355 -5.257
148 2HE LYS 17 2HE LYS 17 -0.347 -4.838 -5.130
149 1HZ LYS 17 1HZ LYS 17 2.366 -4.599 -4.332
150 2HZ LYS 17 2HZ LYS 17 2.201 -5.062 -5.907
151 3HZ LYS 17 3HZ LYS 17 1.484 -3.675 -5.376
152 H TRP 18 H TRP 18 -0.665 -4.128 -1.271
153 HA TRP 18 HA TRP 18 2.164 -3.837 -1.810
154 1HB TRP 18 1HB TRP 18 -0.088 -2.545 -2.601
155 2HB TRP 18 2HB TRP 18 0.467 -1.451 -1.327
156 HD1 TRP 18 HD TRP 18 0.848 -2.097 -4.893
157 HE1 TRP 18 1HE TRP 18 2.825 -0.849 -5.902
158 HE3 TRP 18 3HE TRP 18 3.233 -0.738 -0.573
159 HZ2 TRP 18 2HZ TRP 18 5.164 0.570 -4.958
160 HZ3 TRP 18 3HZ TRP 18 5.330 0.560 -0.668
161 HH2 TRP 18 HH TRP 18 6.307 1.220 -2.847
162 H LYS 19 H LYS 19 -0.072 -2.970 0.847
163 HA LYS 19 HA LYS 19 1.344 -1.303 2.429
164 1HB LYS 19 1HB LYS 19 -0.795 -2.332 3.075
165 2HB LYS 19 2HB LYS 19 0.024 -3.890 3.339
166 1HG LYS 19 1HG LYS 19 0.923 -3.223 5.329
167 2HG LYS 19 2HG LYS 19 1.248 -1.575 4.741
168 1HD LYS 19 1HD LYS 19 -0.610 -0.822 5.769
169 2HD LYS 19 2HD LYS 19 -1.604 -1.977 4.849
170 1HE LYS 19 1HE LYS 19 -0.027 -2.748 7.330
171 2HE LYS 19 2HE LYS 19 -1.717 -2.201 7.388
172 1HZ LYS 19 1HZ LYS 19 -2.118 -4.341 7.113
173 2HZ LYS 19 2HZ LYS 19 -1.805 -4.065 5.518
174 3HZ LYS 19 3HZ LYS 19 -0.630 -4.688 6.493
175 H MET 20 H MET 20 1.981 -4.832 2.134
176 HA MET 20 HA MET 20 3.937 -5.249 3.975
177 1HB MET 20 1HB MET 20 3.794 -7.156 2.776
178 2HB MET 20 2HB MET 20 3.305 -6.287 1.301
179 1HG MET 20 1HG MET 20 6.000 -5.581 1.758
180 2HG MET 20 2HG MET 20 5.911 -7.324 2.059
181 1HE MET 20 1HE MET 20 5.122 -4.535 -0.968
182 2HE MET 20 2HE MET 20 3.963 -5.659 -1.718
183 3HE MET 20 3HE MET 20 3.738 -5.144 -0.029
184 H ARG 21 H ARG 21 4.389 -3.631 0.797
185 HA ARG 21 HA ARG 21 7.178 -3.010 1.479
186 1HB ARG 21 1HB ARG 21 5.396 -2.686 -0.936
187 2HB ARG 21 2HB ARG 21 6.917 -1.769 -0.814
188 1HG ARG 21 1HG ARG 21 8.238 -3.700 -0.837
189 2HG ARG 21 2HG ARG 21 6.913 -4.736 -0.252
190 1HD ARG 21 1HD ARG 21 5.789 -3.948 -2.551
191 2HD ARG 21 2HD ARG 21 7.489 -3.739 -3.024
192 HE ARG 21 HE ARG 21 7.393 -6.255 -1.867
193 1HH1 ARG 21 2HH2 ARG 21 5.721 -4.587 -4.499
194 2HH1 ARG 21 1HH2 ARG 21 5.457 -6.041 -5.435
195 1HH2 ARG 21 2HH1 ARG 21 7.043 -8.175 -3.105
196 2HH2 ARG 21 1HH1 ARG 21 6.211 -8.086 -4.640
197 H ARG 22 H ARG 22 4.039 -1.347 0.998
198 HA ARG 22 HA ARG 22 5.121 1.281 1.472
199 1HB ARG 22 1HB ARG 22 3.022 0.781 0.193
200 2HB ARG 22 2HB ARG 22 2.254 0.294 1.723
201 1HG ARG 22 1HG ARG 22 1.685 2.475 1.958
202 2HG ARG 22 2HG ARG 22 3.401 2.760 2.335
203 1HD ARG 22 1HD ARG 22 2.029 2.979 -0.369
204 2HD ARG 22 2HD ARG 22 2.793 4.281 0.566
205 HE ARG 22 HE ARG 22 4.684 2.193 -0.002
206 1HH1 ARG 22 2HH2 ARG 22 2.933 4.901 -1.452
207 2HH1 ARG 22 1HH2 ARG 22 4.151 5.215 -2.669
208 1HH2 ARG 22 2HH1 ARG 22 6.292 2.607 -1.610
209 2HH2 ARG 22 1HH1 ARG 22 6.065 3.907 -2.759
210 H ASN 23 H ASN 23 5.724 -0.883 3.481
211 HA ASN 23 HA ASN 23 5.266 0.744 5.835
212 1HB ASN 23 1HB ASN 23 3.280 -1.147 5.182
213 2HB ASN 23 2HB ASN 23 4.252 -1.905 6.462
214 1HD2 ASN 23 1HD2 ASN 23 2.854 1.325 5.635
215 2HD2 ASN 23 2HD2 ASN 23 2.312 1.693 7.258
216 H GLN 24 H GLN 24 7.402 -0.577 4.136
217 HA GLN 24 HA GLN 24 9.151 -1.303 6.253
218 1HB GLN 24 1HB GLN 24 9.090 -3.577 6.347
219 2HB GLN 24 2HB GLN 24 7.422 -3.358 5.766
220 1HG GLN 24 1HG GLN 24 8.225 -3.563 3.426
221 2HG GLN 24 2HG GLN 24 9.879 -3.815 4.024
222 1HE2 GLN 24 1HE2 GLN 24 10.417 -5.910 3.761
223 2HE2 GLN 24 2HE2 GLN 24 9.401 -7.277 4.166
224 H PHE 25 H PHE 25 8.288 -1.800 2.806
225 HA PHE 25 HA PHE 25 11.114 -1.761 2.031
226 1HB PHE 25 1HB PHE 25 9.658 -3.245 0.833
227 2HB PHE 25 2HB PHE 25 8.495 -1.946 0.516
228 HD1 PHE 25 1HD PHE 25 9.639 0.185 -0.720
229 HD2 PHE 25 2HD PHE 25 11.000 -3.883 -0.933
230 HE1 PHE 25 1HE PHE 25 10.772 0.677 -2.870
231 HE2 PHE 25 2HE PHE 25 12.134 -3.391 -3.083
232 HZ PHE 25 HZ PHE 25 12.020 -1.111 -4.052
233 H TRP 26 H TRP 26 8.173 0.232 1.367
234 HA TRP 26 HA TRP 26 9.235 2.275 -0.095
235 1HB TRP 26 1HB TRP 26 7.470 3.602 0.656
236 2HB TRP 26 2HB TRP 26 6.877 1.949 0.874
237 HD1 TRP 26 HD TRP 26 5.800 1.488 3.099
238 HE1 TRP 26 1HE TRP 26 5.795 2.510 5.432
239 HE3 TRP 26 3HE TRP 26 9.325 5.131 2.392
240 HZ2 TRP 26 2HZ TRP 26 7.151 4.649 6.832
241 HZ3 TRP 26 3HZ TRP 26 9.941 6.639 4.245
242 HH2 TRP 26 HH TRP 26 8.866 6.413 6.466
243 H VAL 27 H VAL 27 9.539 1.828 3.449
244 HA VAL 27 HA VAL 27 10.673 4.155 4.284
245 HB VAL 27 HB VAL 27 11.675 2.927 6.017
246 1HG1 VAL 27 1HG1 VAL 27 9.799 0.778 5.034
247 2HG1 VAL 27 2HG1 VAL 27 9.991 1.446 6.673
248 3HG1 VAL 27 3HG1 VAL 27 9.154 2.392 5.419
249 1HG2 VAL 27 1HG2 VAL 27 11.990 0.705 3.958
250 2HG2 VAL 27 2HG2 VAL 27 13.283 1.656 4.727
251 3HG2 VAL 27 3HG2 VAL 27 12.333 0.502 5.693
252 H LYS 28 H LYS 28 12.364 1.542 2.483
253 HA LYS 28 HA LYS 28 14.901 2.858 2.460
254 1HB LYS 28 1HB LYS 28 13.604 0.636 0.877
255 2HB LYS 28 2HB LYS 28 15.203 1.265 0.413
256 1HG LYS 28 1HG LYS 28 16.162 0.671 2.513
257 2HG LYS 28 2HG LYS 28 14.566 0.421 3.260
258 1HD LYS 28 1HD LYS 28 15.601 -1.234 0.925
259 2HD LYS 28 2HD LYS 28 15.798 -1.712 2.628
260 1HE LYS 28 1HE LYS 28 13.758 -2.663 2.472
261 2HE LYS 28 2HE LYS 28 13.100 -1.012 2.437
262 1HZ LYS 28 1HZ LYS 28 14.054 -1.889 -0.082
263 2HZ LYS 28 2HZ LYS 28 12.847 -2.849 0.501
264 3HZ LYS 28 3HZ LYS 28 12.600 -1.228 0.326
265 H VAL 29 H VAL 29 12.038 2.951 0.346
266 HA VAL 29 HA VAL 29 13.035 4.142 -1.934
267 HB VAL 29 HB VAL 29 10.467 4.706 -0.406
268 1HG1 VAL 29 1HG1 VAL 29 11.281 5.436 -3.252
269 2HG1 VAL 29 2HG1 VAL 29 9.640 5.596 -2.581
270 3HG1 VAL 29 3HG1 VAL 29 10.970 6.577 -1.921
271 1HG2 VAL 29 1HG2 VAL 29 10.961 2.361 -1.260
272 2HG2 VAL 29 2HG2 VAL 29 9.493 3.110 -1.932
273 3HG2 VAL 29 3HG2 VAL 29 10.983 3.044 -2.903
274 H GLN 30 H GLN 30 13.128 5.367 1.286
275 HA GLN 30 HA GLN 30 13.500 8.150 0.342
276 1HB GLN 30 1HB GLN 30 12.869 8.803 2.437
277 2HB GLN 30 2HB GLN 30 12.131 7.184 2.479
278 1HG GLN 30 1HG GLN 30 14.319 6.318 3.425
279 2HG GLN 30 2HG GLN 30 14.848 8.008 3.570
280 1HE2 GLN 30 1HE2 GLN 30 13.464 5.464 5.228
281 2HE2 GLN 30 2HE2 GLN 30 12.621 6.353 6.478
282 H ARG 31 H ARG 31 15.157 5.473 2.046
283 HA ARG 31 HA ARG 31 17.354 5.448 2.877
284 1HB ARG 31 1HB ARG 31 17.455 4.333 0.741
285 2HB ARG 31 2HB ARG 31 17.521 5.885 -0.127
286 1HG ARG 31 1HG ARG 31 19.761 5.974 0.113
287 2HG ARG 31 2HG ARG 31 19.614 5.789 1.878
288 1HD ARG 31 1HD ARG 31 19.040 3.243 0.986
289 2HD ARG 31 2HD ARG 31 20.253 3.778 -0.196
290 HE ARG 31 HE ARG 31 20.949 4.289 2.603
291 1HH1 ARG 31 2HH2 ARG 31 21.094 2.072 -0.147
292 2HH1 ARG 31 1HH2 ARG 31 22.498 1.213 0.444
293 1HH2 ARG 31 2HH1 ARG 31 22.804 3.154 3.384
294 2HH2 ARG 31 1HH1 ARG 31 23.473 1.830 2.457
295 H GLY 32 H GLY 32 17.423 7.347 4.204
296 1HA GLY 32 1HA GLY 32 18.461 9.798 2.904
297 2HA GLY 32 2HA GLY 32 17.824 9.661 4.559
Start of MODEL 29
1 HA PRO 1 HA PRO 1 -7.284 9.069 1.335
2 1HB PRO 1 1HB PRO 1 -7.624 11.171 3.034
3 2HB PRO 1 2HB PRO 1 -6.141 10.162 3.063
4 1HG PRO 1 1HG PRO 1 -6.542 12.798 1.621
5 2HG PRO 1 2HG PRO 1 -5.217 12.367 2.749
6 1HD PRO 1 1HD PRO 1 -4.912 12.150 0.050
7 2HD PRO 1 2HD PRO 1 -4.236 10.903 1.142
8 HA PRO 2 HA PRO 2 -10.311 11.249 -1.327
9 1HB PRO 2 1HB PRO 2 -11.838 9.062 -1.881
10 2HB PRO 2 2HB PRO 2 -10.256 9.337 -2.680
11 1HG PRO 2 1HG PRO 2 -10.810 7.630 -0.237
12 2HG PRO 2 2HG PRO 2 -9.941 7.145 -1.729
13 1HD PRO 2 1HD PRO 2 -8.598 8.000 0.483
14 2HD PRO 2 2HD PRO 2 -8.060 8.493 -1.151
15 H LEU 3 H LEU 3 -12.969 10.361 -1.124
16 HA LEU 3 HA LEU 3 -13.598 11.289 1.581
17 1HB LEU 3 1HB LEU 3 -15.159 10.758 -0.955
18 2HB LEU 3 2HB LEU 3 -15.991 11.026 0.596
19 HG LEU 3 HG LEU 3 -14.337 13.104 0.746
20 1HD1 LEU 3 1HD1 LEU 3 -13.982 12.085 -1.971
21 2HD1 LEU 3 2HD1 LEU 3 -14.579 13.762 -1.978
22 3HD1 LEU 3 3HD1 LEU 3 -13.077 13.356 -1.113
23 1HD2 LEU 3 1HD2 LEU 3 -16.130 14.460 0.043
24 2HD2 LEU 3 2HD2 LEU 3 -16.613 13.323 -1.238
25 3HD2 LEU 3 3HD2 LEU 3 -16.934 12.931 0.468
26 H SER 4 H SER 4 -12.545 8.434 0.621
27 HA SER 4 HA SER 4 -12.659 6.433 1.808
28 1HB SER 4 1HB SER 4 -15.407 7.039 2.860
29 2HB SER 4 2HB SER 4 -14.063 6.160 3.627
30 HG SER 4 HG SER 4 -12.988 8.157 3.844
31 H GLN 5 H GLN 5 -13.370 4.450 1.065
32 HA GLN 5 HA GLN 5 -14.805 2.954 -0.013
33 1HB GLN 5 1HB GLN 5 -16.596 4.880 0.484
34 2HB GLN 5 2HB GLN 5 -16.430 5.135 -1.270
35 1HG GLN 5 1HG GLN 5 -16.628 2.461 -1.285
36 2HG GLN 5 2HG GLN 5 -17.497 2.769 0.234
37 1HE2 GLN 5 1HE2 GLN 5 -19.337 1.827 -1.044
38 2HE2 GLN 5 2HE2 GLN 5 -20.279 2.914 -2.043
39 H GLU 6 H GLU 6 -13.759 6.003 -1.526
40 HA GLU 6 HA GLU 6 -13.801 5.278 -4.216
41 1HB GLU 6 1HB GLU 6 -13.000 7.453 -2.865
42 2HB GLU 6 2HB GLU 6 -11.402 6.735 -3.177
43 1HG GLU 6 1HG GLU 6 -13.374 6.855 -5.439
44 2HG GLU 6 2HG GLU 6 -12.571 8.362 -4.946
45 H THR 7 H THR 7 -11.084 4.832 -1.876
46 HA THR 7 HA THR 7 -9.780 3.018 -3.796
47 HB THR 7 HB THR 7 -8.531 3.267 -1.169
48 HG1 THR 7 1HG THR 7 -8.850 5.303 -0.874
49 1HG2 THR 7 1HG2 THR 7 -7.677 4.289 -3.908
50 2HG2 THR 7 2HG2 THR 7 -6.626 3.891 -2.527
51 3HG2 THR 7 3HG2 THR 7 -7.497 2.597 -3.385
52 H PHE 8 H PHE 8 -9.569 2.552 -0.311
53 HA PHE 8 HA PHE 8 -9.543 0.257 0.490
54 1HB PHE 8 1HB PHE 8 -12.457 1.010 0.590
55 2HB PHE 8 2HB PHE 8 -11.451 0.256 1.839
56 HD1 PHE 8 1HD PHE 8 -11.131 3.396 -0.211
57 HD2 PHE 8 2HD PHE 8 -11.278 1.619 3.697
58 HE1 PHE 8 1HE PHE 8 -10.736 5.619 0.814
59 HE2 PHE 8 2HE PHE 8 -10.882 3.842 4.722
60 HZ PHE 8 HZ PHE 8 -10.611 5.842 3.281
61 H SER 9 H SER 9 -12.574 0.729 -1.422
62 HA SER 9 HA SER 9 -13.375 -1.779 -1.916
63 1HB SER 9 1HB SER 9 -14.257 0.335 -2.972
64 2HB SER 9 2HB SER 9 -12.941 0.221 -4.165
65 HG SER 9 HG SER 9 -14.357 -2.107 -3.785
66 H ASP 10 H ASP 10 -10.864 -0.237 -4.009
67 HA ASP 10 HA ASP 10 -9.936 -2.972 -4.708
68 1HB ASP 10 1HB ASP 10 -9.765 -0.262 -6.033
69 2HB ASP 10 2HB ASP 10 -8.649 -1.570 -6.485
70 H LEU 11 H LEU 11 -9.166 -0.126 -2.887
71 HA LEU 11 HA LEU 11 -6.311 -0.328 -2.950
72 1HB LEU 11 1HB LEU 11 -8.023 1.540 -2.076
73 2HB LEU 11 2HB LEU 11 -7.737 0.707 -0.529
74 HG LEU 11 HG LEU 11 -5.778 2.161 -2.309
75 1HD1 LEU 11 1HD1 LEU 11 -5.205 2.311 0.478
76 2HD1 LEU 11 2HD1 LEU 11 -5.890 3.581 -0.563
77 3HD1 LEU 11 3HD1 LEU 11 -6.970 2.466 0.307
78 1HD2 LEU 11 1HD2 LEU 11 -5.198 -0.137 -0.402
79 2HD2 LEU 11 2HD2 LEU 11 -4.721 0.012 -2.111
80 3HD2 LEU 11 3HD2 LEU 11 -3.968 1.056 -0.882
81 H TRP 12 H TRP 12 -8.502 -1.041 -0.172
82 HA TRP 12 HA TRP 12 -6.678 -2.519 1.317
83 1HB TRP 12 1HB TRP 12 -8.435 -2.618 2.676
84 2HB TRP 12 2HB TRP 12 -9.413 -1.882 1.399
85 HD1 TRP 12 HD TRP 12 -11.496 -3.172 0.864
86 HE1 TRP 12 1HE TRP 12 -12.304 -5.584 0.984
87 HE3 TRP 12 3HE TRP 12 -7.199 -5.379 2.557
88 HZ2 TRP 12 2HZ TRP 12 -11.226 -8.166 1.725
89 HZ3 TRP 12 3HZ TRP 12 -7.128 -7.813 2.957
90 HH2 TRP 12 HH TRP 12 -9.127 -9.217 2.548
91 H LYS 13 H LYS 13 -8.764 -3.559 -1.387
92 HA LYS 13 HA LYS 13 -8.151 -6.357 -1.102
93 1HB LYS 13 1HB LYS 13 -9.927 -4.777 -2.585
94 2HB LYS 13 2HB LYS 13 -8.848 -5.497 -3.804
95 1HG LYS 13 1HG LYS 13 -9.802 -7.307 -1.625
96 2HG LYS 13 2HG LYS 13 -11.016 -6.789 -2.819
97 1HD LYS 13 1HD LYS 13 -9.391 -7.482 -4.637
98 2HD LYS 13 2HD LYS 13 -8.365 -8.185 -3.364
99 1HE LYS 13 1HE LYS 13 -9.997 -9.792 -2.773
100 2HE LYS 13 2HE LYS 13 -11.298 -8.902 -3.593
101 1HZ LYS 13 1HZ LYS 13 -10.479 -9.531 -5.645
102 2HZ LYS 13 2HZ LYS 13 -9.029 -10.040 -5.046
103 3HZ LYS 13 3HZ LYS 13 -10.399 -10.906 -4.738
104 H LEU 14 H LEU 14 -6.659 -3.594 -2.730
105 HA LEU 14 HA LEU 14 -4.903 -5.218 -4.371
106 1HB LEU 14 1HB LEU 14 -5.240 -2.300 -3.723
107 2HB LEU 14 2HB LEU 14 -3.715 -2.850 -4.458
108 HG LEU 14 HG LEU 14 -6.172 -2.326 -5.777
109 1HD1 LEU 14 1HD1 LEU 14 -4.856 -3.239 -7.755
110 2HD1 LEU 14 2HD1 LEU 14 -4.017 -1.990 -6.804
111 3HD1 LEU 14 3HD1 LEU 14 -3.586 -3.705 -6.598
112 1HD2 LEU 14 1HD2 LEU 14 -6.945 -4.391 -6.608
113 2HD2 LEU 14 2HD2 LEU 14 -5.464 -5.249 -6.119
114 3HD2 LEU 14 3HD2 LEU 14 -6.646 -4.740 -4.889
115 H LEU 15 H LEU 15 -4.661 -3.424 -1.276
116 HA LEU 15 HA LEU 15 -1.885 -3.825 -0.868
117 1HB LEU 15 1HB LEU 15 -4.159 -2.785 0.568
118 2HB LEU 15 2HB LEU 15 -3.224 -3.852 1.644
119 HG LEU 15 HG LEU 15 -1.141 -2.594 0.678
120 1HD1 LEU 15 1HD1 LEU 15 -2.918 -1.437 -0.975
121 2HD1 LEU 15 2HD1 LEU 15 -3.033 -0.287 0.378
122 3HD1 LEU 15 3HD1 LEU 15 -1.464 -0.581 -0.409
123 1HD2 LEU 15 1HD2 LEU 15 -2.923 -0.857 2.390
124 2HD2 LEU 15 2HD2 LEU 15 -2.366 -2.431 3.005
125 3HD2 LEU 15 3HD2 LEU 15 -1.181 -1.184 2.549
126 H LYS 16 H LYS 16 -4.543 -6.026 -0.834
127 HA LYS 16 HA LYS 16 -3.568 -7.896 1.096
128 1HB LYS 16 1HB LYS 16 -5.852 -7.593 -0.419
129 2HB LYS 16 2HB LYS 16 -5.070 -8.990 -1.198
130 1HG LYS 16 1HG LYS 16 -5.345 -8.797 1.818
131 2HG LYS 16 2HG LYS 16 -6.643 -9.470 0.804
132 1HD LYS 16 1HD LYS 16 -4.872 -11.010 -0.215
133 2HD LYS 16 2HD LYS 16 -3.784 -10.469 1.086
134 1HE LYS 16 1HE LYS 16 -5.748 -11.103 2.680
135 2HE LYS 16 2HE LYS 16 -6.372 -12.025 1.295
136 1HZ LYS 16 1HZ LYS 16 -5.011 -13.374 2.695
137 2HZ LYS 16 2HZ LYS 16 -4.286 -13.191 1.225
138 3HZ LYS 16 3HZ LYS 16 -3.729 -12.349 2.529
139 H LYS 17 H LYS 17 -1.788 -6.779 -1.258
140 HA LYS 17 HA LYS 17 -0.178 -9.147 -1.481
141 1HB LYS 17 1HB LYS 17 -1.175 -10.086 -3.269
142 2HB LYS 17 2HB LYS 17 -2.221 -8.668 -3.520
143 1HG LYS 17 1HG LYS 17 0.696 -8.887 -4.379
144 2HG LYS 17 2HG LYS 17 -0.711 -9.040 -5.457
145 1HD LYS 17 1HD LYS 17 -1.093 -6.644 -3.975
146 2HD LYS 17 2HD LYS 17 0.604 -6.639 -4.510
147 1HE LYS 17 1HE LYS 17 0.041 -6.423 -6.701
148 2HE LYS 17 2HE LYS 17 -1.315 -7.563 -6.562
149 1HZ LYS 17 1HZ LYS 17 -2.697 -5.898 -6.355
150 2HZ LYS 17 2HZ LYS 17 -1.813 -5.172 -5.167
151 3HZ LYS 17 3HZ LYS 17 -1.473 -4.866 -6.752
152 H TRP 18 H TRP 18 -0.979 -5.825 -2.106
153 HA TRP 18 HA TRP 18 1.684 -5.291 -3.275
154 1HB TRP 18 1HB TRP 18 -0.838 -4.254 -3.727
155 2HB TRP 18 2HB TRP 18 -0.098 -3.029 -2.687
156 HD1 TRP 18 HD TRP 18 -0.340 -4.084 -6.197
157 HE1 TRP 18 1HE TRP 18 1.292 -2.819 -7.689
158 HE3 TRP 18 3HE TRP 18 2.614 -1.997 -2.575
159 HZ2 TRP 18 2HZ TRP 18 3.603 -1.107 -7.361
160 HZ3 TRP 18 3HZ TRP 18 4.518 -0.558 -3.202
161 HH2 TRP 18 HH TRP 18 5.025 -0.104 -5.585
162 H LYS 19 H LYS 19 -0.269 -4.782 -0.349
163 HA LYS 19 HA LYS 19 1.297 -2.857 0.947
164 1HB LYS 19 1HB LYS 19 0.041 -3.379 2.796
165 2HB LYS 19 2HB LYS 19 -0.943 -4.213 1.569
166 1HG LYS 19 1HG LYS 19 0.262 -6.319 2.021
167 2HG LYS 19 2HG LYS 19 1.275 -5.490 3.227
168 1HD LYS 19 1HD LYS 19 -0.987 -4.819 4.338
169 2HD LYS 19 2HD LYS 19 -1.686 -6.117 3.341
170 1HE LYS 19 1HE LYS 19 0.810 -6.722 4.892
171 2HE LYS 19 2HE LYS 19 -0.714 -6.586 5.795
172 1HZ LYS 19 1HZ LYS 19 -1.297 -8.100 3.628
173 2HZ LYS 19 2HZ LYS 19 0.182 -8.650 4.107
174 3HZ LYS 19 3HZ LYS 19 -1.077 -8.637 5.172
175 H MET 20 H MET 20 1.642 -6.439 0.910
176 HA MET 20 HA MET 20 3.586 -6.980 2.668
177 1HB MET 20 1HB MET 20 4.657 -8.426 0.794
178 2HB MET 20 2HB MET 20 2.954 -8.726 1.218
179 1HG MET 20 1HG MET 20 2.589 -8.500 -1.003
180 2HG MET 20 2HG MET 20 2.675 -6.765 -0.655
181 1HE MET 20 1HE MET 20 4.723 -5.965 -3.612
182 2HE MET 20 2HE MET 20 3.053 -6.478 -3.270
183 3HE MET 20 3HE MET 20 3.857 -5.299 -2.207
184 H ARG 21 H ARG 21 4.076 -5.135 -0.353
185 HA ARG 21 HA ARG 21 6.892 -4.651 0.450
186 1HB ARG 21 1HB ARG 21 5.963 -5.414 -1.943
187 2HB ARG 21 2HB ARG 21 5.741 -3.658 -2.131
188 1HG ARG 21 1HG ARG 21 8.008 -3.221 -2.043
189 2HG ARG 21 2HG ARG 21 8.343 -4.612 -0.984
190 1HD ARG 21 1HD ARG 21 9.038 -5.725 -2.815
191 2HD ARG 21 2HD ARG 21 7.346 -5.740 -3.359
192 HE ARG 21 HE ARG 21 8.668 -3.256 -4.020
193 1HH1 ARG 21 2HH2 ARG 21 8.274 -6.643 -4.954
194 2HH1 ARG 21 1HH2 ARG 21 8.639 -6.362 -6.642
195 1HH2 ARG 21 2HH1 ARG 21 9.150 -2.885 -6.250
196 2HH2 ARG 21 1HH1 ARG 21 9.138 -4.220 -7.380
197 H ARG 22 H ARG 22 3.753 -3.100 -0.131
198 HA ARG 22 HA ARG 22 4.852 -0.413 0.188
199 1HB ARG 22 1HB ARG 22 2.654 -1.425 -1.078
200 2HB ARG 22 2HB ARG 22 1.931 -0.872 0.452
201 1HG ARG 22 1HG ARG 22 3.872 0.946 -0.954
202 2HG ARG 22 2HG ARG 22 2.224 0.795 -1.610
203 1HD ARG 22 1HD ARG 22 1.949 2.537 -0.086
204 2HD ARG 22 2HD ARG 22 1.504 1.130 0.904
205 HE ARG 22 HE ARG 22 4.146 1.306 1.425
206 1HH1 ARG 22 2HH2 ARG 22 1.600 3.756 1.294
207 2HH1 ARG 22 1HH2 ARG 22 2.346 4.791 2.492
208 1HH2 ARG 22 2HH1 ARG 22 5.131 2.674 3.007
209 2HH2 ARG 22 1HH1 ARG 22 4.358 4.174 3.468
210 H ASN 23 H ASN 23 5.204 -2.479 2.351
211 HA ASN 23 HA ASN 23 4.238 -0.765 4.544
212 1HB ASN 23 1HB ASN 23 2.813 -3.042 3.822
213 2HB ASN 23 2HB ASN 23 3.863 -3.612 5.137
214 1HD2 ASN 23 1HD2 ASN 23 3.692 -2.667 7.236
215 2HD2 ASN 23 2HD2 ASN 23 2.279 -1.745 7.705
216 H GLN 24 H GLN 24 6.790 -1.791 3.076
217 HA GLN 24 HA GLN 24 8.257 -2.350 5.588
218 1HB GLN 24 1HB GLN 24 9.648 -3.961 3.999
219 2HB GLN 24 2HB GLN 24 8.195 -4.543 4.846
220 1HG GLN 24 1HG GLN 24 6.827 -4.134 2.865
221 2HG GLN 24 2HG GLN 24 8.213 -3.412 2.019
222 1HE2 GLN 24 1HE2 GLN 24 9.448 -4.712 0.767
223 2HE2 GLN 24 2HE2 GLN 24 9.444 -6.461 0.820
224 H PHE 25 H PHE 25 9.876 -2.831 2.573
225 HA PHE 25 HA PHE 25 11.695 -0.697 3.034
226 1HB PHE 25 1HB PHE 25 12.484 -2.498 1.759
227 2HB PHE 25 2HB PHE 25 11.054 -2.511 0.713
228 HD1 PHE 25 1HD PHE 25 10.696 -0.217 -0.641
229 HD2 PHE 25 2HD PHE 25 14.448 -1.654 0.878
230 HE1 PHE 25 1HE PHE 25 11.901 1.168 -2.308
231 HE2 PHE 25 2HE PHE 25 15.653 -0.270 -0.790
232 HZ PHE 25 HZ PHE 25 14.380 1.142 -2.382
233 H TRP 26 H TRP 26 8.478 -0.602 2.042
234 HA TRP 26 HA TRP 26 8.710 1.542 0.097
235 1HB TRP 26 1HB TRP 26 6.649 -0.154 1.265
236 2HB TRP 26 2HB TRP 26 6.124 1.533 1.170
237 HD1 TRP 26 HD TRP 26 7.084 -1.442 -1.002
238 HE1 TRP 26 1HE TRP 26 6.314 -1.061 -3.400
239 HE3 TRP 26 3HE TRP 26 5.571 3.431 -0.599
240 HZ2 TRP 26 2HZ TRP 26 5.180 1.094 -4.964
241 HZ3 TRP 26 3HZ TRP 26 4.653 4.612 -2.562
242 HH2 TRP 26 HH TRP 26 4.451 3.461 -4.746
243 H VAL 27 H VAL 27 7.242 1.392 3.395
244 HA VAL 27 HA VAL 27 6.698 3.938 3.972
245 HB VAL 27 HB VAL 27 7.437 3.542 6.281
246 1HG1 VAL 27 1HG1 VAL 27 5.477 2.266 5.124
247 2HG1 VAL 27 2HG1 VAL 27 6.563 0.857 5.184
248 3HG1 VAL 27 3HG1 VAL 27 6.067 1.663 6.692
249 1HG2 VAL 27 1HG2 VAL 27 9.388 2.449 6.591
250 2HG2 VAL 27 2HG2 VAL 27 8.544 0.945 6.150
251 3HG2 VAL 27 3HG2 VAL 27 9.396 1.886 4.903
252 H LYS 28 H LYS 28 9.976 2.665 3.466
253 HA LYS 28 HA LYS 28 11.258 5.151 4.265
254 1HB LYS 28 1HB LYS 28 12.241 2.645 2.849
255 2HB LYS 28 2HB LYS 28 13.289 4.008 3.308
256 1HG LYS 28 1HG LYS 28 11.493 2.592 5.309
257 2HG LYS 28 2HG LYS 28 13.157 2.055 4.977
258 1HD LYS 28 1HD LYS 28 14.061 3.786 6.135
259 2HD LYS 28 2HD LYS 28 12.934 4.963 5.419
260 1HE LYS 28 1HE LYS 28 11.533 4.857 7.193
261 2HE LYS 28 2HE LYS 28 11.609 3.082 7.249
262 1HZ LYS 28 1HZ LYS 28 12.589 4.521 9.132
263 2HZ LYS 28 2HZ LYS 28 13.349 3.138 8.652
264 3HZ LYS 28 3HZ LYS 28 13.906 4.605 8.143
265 H VAL 29 H VAL 29 10.237 3.557 1.241
266 HA VAL 29 HA VAL 29 11.522 5.010 -0.692
267 HB VAL 29 HB VAL 29 8.619 4.137 -0.507
268 1HG1 VAL 29 1HG1 VAL 29 8.601 5.890 -2.132
269 2HG1 VAL 29 2HG1 VAL 29 10.181 5.399 -2.788
270 3HG1 VAL 29 3HG1 VAL 29 8.748 4.381 -3.064
271 1HG2 VAL 29 1HG2 VAL 29 9.349 2.254 -1.779
272 2HG2 VAL 29 2HG2 VAL 29 10.898 3.032 -2.185
273 3HG2 VAL 29 3HG2 VAL 29 10.589 2.477 -0.522
274 H GLN 30 H GLN 30 9.382 6.225 1.750
275 HA GLN 30 HA GLN 30 8.950 8.749 0.264
276 1HB GLN 30 1HB GLN 30 7.137 9.080 1.624
277 2HB GLN 30 2HB GLN 30 7.240 7.310 1.781
278 1HG GLN 30 1HG GLN 30 8.762 7.680 3.780
279 2HG GLN 30 2HG GLN 30 8.362 9.408 3.676
280 1HE2 GLN 30 1HE2 GLN 30 7.768 8.111 6.011
281 2HE2 GLN 30 2HE2 GLN 30 6.040 7.869 6.157
282 H ARG 31 H ARG 31 10.455 7.423 3.230
283 HA ARG 31 HA ARG 31 11.665 8.593 4.868
284 1HB ARG 31 1HB ARG 31 13.344 7.624 3.462
285 2HB ARG 31 2HB ARG 31 13.129 8.883 2.223
286 1HG ARG 31 1HG ARG 31 14.588 10.245 3.273
287 2HG ARG 31 2HG ARG 31 13.697 10.091 4.806
288 1HD ARG 31 1HD ARG 31 15.088 8.466 5.602
289 2HD ARG 31 2HD ARG 31 15.270 7.701 4.009
290 HE ARG 31 HE ARG 31 16.966 9.774 5.185
291 1HH1 ARG 31 2HH2 ARG 31 15.883 8.140 2.242
292 2HH1 ARG 31 1HH2 ARG 31 17.311 8.556 1.322
293 1HH2 ARG 31 2HH1 ARG 31 18.852 10.324 3.968
294 2HH2 ARG 31 1HH1 ARG 31 19.003 9.802 2.306
295 H GLY 32 H GLY 32 12.858 10.798 2.411
296 1HA GLY 32 1HA GLY 32 12.660 13.124 3.823
297 2HA GLY 32 2HA GLY 32 12.469 13.054 2.056
Start of MODEL 30
1 HA PRO 1 HA PRO 1 -18.236 10.137 -1.348
2 1HB PRO 1 1HB PRO 1 -17.496 12.301 0.133
3 2HB PRO 1 2HB PRO 1 -17.764 12.414 -1.637
4 1HG PRO 1 1HG PRO 1 -19.739 13.072 0.567
5 2HG PRO 1 2HG PRO 1 -19.262 14.113 -0.814
6 1HD PRO 1 1HD PRO 1 -21.504 12.565 -0.908
7 2HD PRO 1 2HD PRO 1 -20.458 12.736 -2.350
8 HA PRO 2 HA PRO 2 -19.838 8.478 2.612
9 1HB PRO 2 1HB PRO 2 -18.771 5.986 2.335
10 2HB PRO 2 2HB PRO 2 -20.236 6.493 1.432
11 1HG PRO 2 1HG PRO 2 -17.367 6.535 0.453
12 2HG PRO 2 2HG PRO 2 -18.784 5.794 -0.360
13 1HD PRO 2 1HD PRO 2 -17.926 8.299 -1.005
14 2HD PRO 2 2HD PRO 2 -19.676 7.937 -0.906
15 H LEU 3 H LEU 3 -16.959 9.583 1.403
16 HA LEU 3 HA LEU 3 -15.064 10.273 2.521
17 1HB LEU 3 1HB LEU 3 -16.819 9.529 4.648
18 2HB LEU 3 2HB LEU 3 -15.216 8.843 5.008
19 HG LEU 3 HG LEU 3 -15.507 11.186 5.868
20 1HD1 LEU 3 1HD1 LEU 3 -13.326 11.832 5.294
21 2HD1 LEU 3 2HD1 LEU 3 -13.299 10.085 4.955
22 3HD1 LEU 3 3HD1 LEU 3 -13.488 11.248 3.621
23 1HD2 LEU 3 1HD2 LEU 3 -16.975 11.874 3.904
24 2HD2 LEU 3 2HD2 LEU 3 -15.690 13.031 4.328
25 3HD2 LEU 3 3HD2 LEU 3 -15.491 11.955 2.924
26 H SER 4 H SER 4 -15.953 7.270 1.548
27 HA SER 4 HA SER 4 -13.277 6.356 1.228
28 1HB SER 4 1HB SER 4 -13.533 4.301 2.721
29 2HB SER 4 2HB SER 4 -13.242 5.843 3.562
30 HG SER 4 HG SER 4 -15.022 4.450 4.346
31 H GLN 5 H GLN 5 -13.453 5.389 -0.698
32 HA GLN 5 HA GLN 5 -14.952 3.093 -1.211
33 1HB GLN 5 1HB GLN 5 -16.548 5.529 -1.289
34 2HB GLN 5 2HB GLN 5 -16.518 4.729 -2.879
35 1HG GLN 5 1HG GLN 5 -17.240 2.627 -1.896
36 2HG GLN 5 2HG GLN 5 -17.105 3.300 -0.257
37 1HE2 GLN 5 1HE2 GLN 5 -19.273 3.022 0.319
38 2HE2 GLN 5 2HE2 GLN 5 -20.574 3.926 -0.425
39 H GLU 6 H GLU 6 -14.218 6.253 -2.800
40 HA GLU 6 HA GLU 6 -13.718 5.535 -5.359
41 1HB GLU 6 1HB GLU 6 -12.989 7.654 -3.688
42 2HB GLU 6 2HB GLU 6 -11.440 7.050 -4.323
43 1HG GLU 6 1HG GLU 6 -12.256 8.681 -5.893
44 2HG GLU 6 2HG GLU 6 -12.487 7.082 -6.633
45 H THR 7 H THR 7 -11.069 5.428 -2.902
46 HA THR 7 HA THR 7 -9.624 3.521 -4.602
47 HB THR 7 HB THR 7 -8.492 4.041 -1.960
48 HG1 THR 7 1HG THR 7 -8.139 6.320 -2.594
49 1HG2 THR 7 1HG2 THR 7 -7.585 4.908 -4.734
50 2HG2 THR 7 2HG2 THR 7 -6.572 4.657 -3.292
51 3HG2 THR 7 3HG2 THR 7 -7.345 3.266 -4.090
52 H PHE 8 H PHE 8 -9.503 3.322 -1.090
53 HA PHE 8 HA PHE 8 -9.376 1.091 -0.127
54 1HB PHE 8 1HB PHE 8 -12.325 1.707 -0.148
55 2HB PHE 8 2HB PHE 8 -11.323 1.079 1.171
56 HD1 PHE 8 1HD PHE 8 -11.102 4.097 -1.067
57 HD2 PHE 8 2HD PHE 8 -11.239 2.561 2.942
58 HE1 PHE 8 1HE PHE 8 -10.830 6.396 -0.177
59 HE2 PHE 8 2HE PHE 8 -10.967 4.859 3.832
60 HZ PHE 8 HZ PHE 8 -10.763 6.777 2.272
61 H SER 9 H SER 9 -12.361 1.279 -2.158
62 HA SER 9 HA SER 9 -13.034 -1.296 -2.481
63 1HB SER 9 1HB SER 9 -13.976 0.693 -3.715
64 2HB SER 9 2HB SER 9 -12.622 0.550 -4.862
65 HG SER 9 HG SER 9 -13.334 -1.676 -5.138
66 H ASP 10 H ASP 10 -10.524 0.211 -4.601
67 HA ASP 10 HA ASP 10 -9.448 -2.520 -5.065
68 1HB ASP 10 1HB ASP 10 -8.400 -1.556 -7.044
69 2HB ASP 10 2HB ASP 10 -10.138 -1.184 -7.044
70 H LEU 11 H LEU 11 -8.878 0.489 -3.452
71 HA LEU 11 HA LEU 11 -6.018 0.448 -3.436
72 1HB LEU 11 1HB LEU 11 -7.847 2.273 -2.738
73 2HB LEU 11 2HB LEU 11 -7.571 1.563 -1.129
74 HG LEU 11 HG LEU 11 -5.632 3.001 -2.942
75 1HD1 LEU 11 1HD1 LEU 11 -5.169 3.347 -0.146
76 2HD1 LEU 11 2HD1 LEU 11 -5.857 4.520 -1.294
77 3HD1 LEU 11 3HD1 LEU 11 -6.930 3.418 -0.398
78 1HD2 LEU 11 1HD2 LEU 11 -3.824 2.087 -1.362
79 2HD2 LEU 11 2HD2 LEU 11 -5.007 0.841 -0.897
80 3HD2 LEU 11 3HD2 LEU 11 -4.449 0.953 -2.584
81 H TRP 12 H TRP 12 -8.196 -0.149 -0.624
82 HA TRP 12 HA TRP 12 -6.312 -1.456 0.957
83 1HB TRP 12 1HB TRP 12 -8.049 -1.491 2.344
84 2HB TRP 12 2HB TRP 12 -9.058 -0.873 1.029
85 HD1 TRP 12 HD TRP 12 -11.121 -2.239 0.625
86 HE1 TRP 12 1HE TRP 12 -11.877 -4.651 0.935
87 HE3 TRP 12 3HE TRP 12 -6.757 -4.229 2.410
88 HZ2 TRP 12 2HZ TRP 12 -10.736 -7.149 1.847
89 HZ3 TRP 12 3HZ TRP 12 -6.630 -6.625 2.988
90 HH2 TRP 12 HH TRP 12 -8.605 -8.095 2.713
91 H LYS 13 H LYS 13 -8.422 -2.760 -1.613
92 HA LYS 13 HA LYS 13 -7.780 -5.509 -1.128
93 1HB LYS 13 1HB LYS 13 -9.668 -4.279 -2.571
94 2HB LYS 13 2HB LYS 13 -8.480 -4.532 -3.872
95 1HG LYS 13 1HG LYS 13 -8.534 -6.953 -2.410
96 2HG LYS 13 2HG LYS 13 -10.236 -6.463 -2.587
97 1HD LYS 13 1HD LYS 13 -8.525 -6.149 -5.010
98 2HD LYS 13 2HD LYS 13 -8.864 -7.822 -4.505
99 1HE LYS 13 1HE LYS 13 -11.061 -7.673 -5.063
100 2HE LYS 13 2HE LYS 13 -11.213 -6.031 -4.401
101 1HZ LYS 13 1HZ LYS 13 -11.394 -6.421 -6.902
102 2HZ LYS 13 2HZ LYS 13 -10.543 -5.120 -6.350
103 3HZ LYS 13 3HZ LYS 13 -9.746 -6.465 -6.873
104 H LEU 14 H LEU 14 -6.302 -2.896 -3.029
105 HA LEU 14 HA LEU 14 -4.514 -4.591 -4.505
106 1HB LEU 14 1HB LEU 14 -4.820 -1.660 -3.952
107 2HB LEU 14 2HB LEU 14 -3.255 -2.237 -4.573
108 HG LEU 14 HG LEU 14 -5.589 -1.714 -6.074
109 1HD1 LEU 14 1HD1 LEU 14 -3.139 -3.378 -6.800
110 2HD1 LEU 14 2HD1 LEU 14 -4.215 -2.537 -7.941
111 3HD1 LEU 14 3HD1 LEU 14 -3.210 -1.599 -6.810
112 1HD2 LEU 14 1HD2 LEU 14 -6.467 -3.746 -6.794
113 2HD2 LEU 14 2HD2 LEU 14 -5.004 -4.655 -6.350
114 3HD2 LEU 14 3HD2 LEU 14 -6.137 -4.119 -5.086
115 H LEU 15 H LEU 15 -4.233 -2.676 -1.479
116 HA LEU 15 HA LEU 15 -1.484 -3.264 -1.023
117 1HB LEU 15 1HB LEU 15 -3.640 -1.873 0.273
118 2HB LEU 15 2HB LEU 15 -2.857 -2.944 1.460
119 HG LEU 15 HG LEU 15 -0.622 -2.017 0.469
120 1HD1 LEU 15 1HD1 LEU 15 -2.243 0.442 -0.117
121 2HD1 LEU 15 2HD1 LEU 15 -0.679 -0.076 -0.791
122 3HD1 LEU 15 3HD1 LEU 15 -2.188 -0.833 -1.357
123 1HD2 LEU 15 1HD2 LEU 15 -2.046 0.184 1.889
124 2HD2 LEU 15 2HD2 LEU 15 -2.095 -1.410 2.680
125 3HD2 LEU 15 3HD2 LEU 15 -0.530 -0.651 2.306
126 H LYS 16 H LYS 16 -4.304 -5.221 -0.892
127 HA LYS 16 HA LYS 16 -3.571 -6.981 1.237
128 1HB LYS 16 1HB LYS 16 -5.793 -6.638 -0.248
129 2HB LYS 16 2HB LYS 16 -5.084 -8.016 -1.123
130 1HG LYS 16 1HG LYS 16 -4.836 -8.442 1.732
131 2HG LYS 16 2HG LYS 16 -6.529 -8.073 1.326
132 1HD LYS 16 1HD LYS 16 -6.573 -9.837 -0.345
133 2HD LYS 16 2HD LYS 16 -4.829 -10.129 -0.145
134 1HE LYS 16 1HE LYS 16 -5.486 -10.497 2.387
135 2HE LYS 16 2HE LYS 16 -7.107 -10.787 1.719
136 1HZ LYS 16 1HZ LYS 16 -4.645 -12.275 1.241
137 2HZ LYS 16 2HZ LYS 16 -6.115 -12.832 1.739
138 3HZ LYS 16 3HZ LYS 16 -5.900 -12.354 0.175
139 H LYS 17 H LYS 17 -1.613 -6.223 -1.127
140 HA LYS 17 HA LYS 17 -0.194 -8.724 -1.058
141 1HB LYS 17 1HB LYS 17 -1.230 -9.723 -2.798
142 2HB LYS 17 2HB LYS 17 -2.074 -8.226 -3.262
143 1HG LYS 17 1HG LYS 17 0.847 -8.859 -3.867
144 2HG LYS 17 2HG LYS 17 -0.494 -8.990 -5.030
145 1HD LYS 17 1HD LYS 17 -0.705 -6.412 -3.848
146 2HD LYS 17 2HD LYS 17 1.014 -6.643 -4.249
147 1HE LYS 17 1HE LYS 17 0.346 -5.959 -6.322
148 2HE LYS 17 2HE LYS 17 -0.140 -7.660 -6.493
149 1HZ LYS 17 1HZ LYS 17 -2.131 -6.141 -5.220
150 2HZ LYS 17 2HZ LYS 17 -1.741 -5.478 -6.679
151 3HZ LYS 17 3HZ LYS 17 -2.224 -7.053 -6.591
152 H TRP 18 H TRP 18 -0.679 -5.413 -1.984
153 HA TRP 18 HA TRP 18 2.057 -5.195 -3.078
154 1HB TRP 18 1HB TRP 18 -0.346 -3.977 -3.688
155 2HB TRP 18 2HB TRP 18 0.465 -2.752 -2.703
156 HD1 TRP 18 HD TRP 18 0.164 -3.885 -6.148
157 HE1 TRP 18 1HE TRP 18 1.972 -2.914 -7.656
158 HE3 TRP 18 3HE TRP 18 3.361 -2.136 -2.553
159 HZ2 TRP 18 2HZ TRP 18 4.503 -1.543 -7.351
160 HZ3 TRP 18 3HZ TRP 18 5.457 -1.005 -3.199
161 HH2 TRP 18 HH TRP 18 6.041 -0.702 -5.588
162 H LYS 19 H LYS 19 0.042 -4.173 -0.310
163 HA LYS 19 HA LYS 19 1.725 -2.351 0.924
164 1HB LYS 19 1HB LYS 19 0.390 -2.656 2.765
165 2HB LYS 19 2HB LYS 19 -0.616 -3.513 1.573
166 1HG LYS 19 1HG LYS 19 0.395 -5.654 2.214
167 2HG LYS 19 2HG LYS 19 1.490 -4.824 3.344
168 1HD LYS 19 1HD LYS 19 -0.791 -3.857 4.318
169 2HD LYS 19 2HD LYS 19 -1.471 -5.317 3.559
170 1HE LYS 19 1HE LYS 19 0.922 -6.110 4.884
171 2HE LYS 19 2HE LYS 19 0.026 -5.078 6.019
172 1HZ LYS 19 1HZ LYS 19 -1.176 -7.322 4.566
173 2HZ LYS 19 2HZ LYS 19 -0.551 -7.447 6.087
174 3HZ LYS 19 3HZ LYS 19 -1.839 -6.456 5.804
175 H MET 20 H MET 20 1.795 -5.943 1.212
176 HA MET 20 HA MET 20 3.677 -6.466 3.033
177 1HB MET 20 1HB MET 20 4.652 -8.155 1.325
178 2HB MET 20 2HB MET 20 2.923 -8.280 1.728
179 1HG MET 20 1HG MET 20 2.605 -8.217 -0.507
180 2HG MET 20 2HG MET 20 2.858 -6.473 -0.322
181 1HE MET 20 1HE MET 20 5.004 -6.188 -3.308
182 2HE MET 20 2HE MET 20 3.292 -6.541 -2.975
183 3HE MET 20 3HE MET 20 4.150 -5.311 -2.016
184 H ARG 21 H ARG 21 4.352 -4.976 -0.149
185 HA ARG 21 HA ARG 21 7.187 -4.637 0.649
186 1HB ARG 21 1HB ARG 21 6.214 -5.505 -1.682
187 2HB ARG 21 2HB ARG 21 6.104 -3.759 -2.007
188 1HG ARG 21 1HG ARG 21 8.306 -3.797 -2.505
189 2HG ARG 21 2HG ARG 21 8.622 -4.129 -0.785
190 1HD ARG 21 1HD ARG 21 9.033 -6.341 -1.153
191 2HD ARG 21 2HD ARG 21 7.757 -6.476 -2.383
192 HE ARG 21 HE ARG 21 9.910 -4.907 -3.411
193 1HH1 ARG 21 2HH2 ARG 21 9.063 -8.219 -2.509
194 2HH1 ARG 21 1HH2 ARG 21 10.165 -8.957 -3.650
195 1HH2 ARG 21 2HH1 ARG 21 11.365 -5.882 -4.919
196 2HH2 ARG 21 1HH1 ARG 21 11.477 -7.625 -5.024
197 H ARG 22 H ARG 22 4.248 -2.831 -0.306
198 HA ARG 22 HA ARG 22 5.570 -0.255 -0.046
199 1HB ARG 22 1HB ARG 22 3.409 -1.097 -1.427
200 2HB ARG 22 2HB ARG 22 2.595 -0.496 0.038
201 1HG ARG 22 1HG ARG 22 4.716 1.158 -1.356
202 2HG ARG 22 2HG ARG 22 3.024 1.185 -1.908
203 1HD ARG 22 1HD ARG 22 2.940 2.896 -0.360
204 2HD ARG 22 2HD ARG 22 2.560 1.523 0.702
205 HE ARG 22 HE ARG 22 5.246 1.597 0.915
206 1HH1 ARG 22 2HH2 ARG 22 2.812 4.160 1.008
207 2HH1 ARG 22 1HH2 ARG 22 3.735 5.185 2.084
208 1HH2 ARG 22 2HH1 ARG 22 6.465 2.951 2.336
209 2HH2 ARG 22 1HH1 ARG 22 5.818 4.496 2.841
210 H ASN 23 H ASN 23 5.512 -2.234 2.266
211 HA ASN 23 HA ASN 23 4.716 -0.250 4.285
212 1HB ASN 23 1HB ASN 23 2.962 -2.317 3.579
213 2HB ASN 23 2HB ASN 23 3.772 -2.904 5.047
214 1HD2 ASN 23 1HD2 ASN 23 1.447 -2.659 5.846
215 2HD2 ASN 23 2HD2 ASN 23 1.006 -1.106 6.522
216 H GLN 24 H GLN 24 7.120 -1.814 3.071
217 HA GLN 24 HA GLN 24 8.306 -2.440 5.708
218 1HB GLN 24 1HB GLN 24 8.153 -4.301 3.316
219 2HB GLN 24 2HB GLN 24 9.384 -4.479 4.590
220 1HG GLN 24 1HG GLN 24 7.078 -4.167 6.068
221 2HG GLN 24 2HG GLN 24 6.483 -5.065 4.655
222 1HE2 GLN 24 1HE2 GLN 24 8.159 -5.250 7.652
223 2HE2 GLN 24 2HE2 GLN 24 8.685 -6.916 7.537
224 H PHE 25 H PHE 25 9.929 -3.502 2.839
225 HA PHE 25 HA PHE 25 12.127 -1.750 3.251
226 1HB PHE 25 1HB PHE 25 12.575 -3.774 2.153
227 2HB PHE 25 2HB PHE 25 11.222 -3.573 1.026
228 HD1 PHE 25 1HD PHE 25 11.413 -1.377 -0.505
229 HD2 PHE 25 2HD PHE 25 14.711 -3.417 1.343
230 HE1 PHE 25 1HE PHE 25 12.956 -0.407 -2.187
231 HE2 PHE 25 2HE PHE 25 16.254 -2.446 -0.339
232 HZ PHE 25 HZ PHE 25 15.377 -0.941 -2.103
233 H TRP 26 H TRP 26 9.044 -1.082 2.072
234 HA TRP 26 HA TRP 26 9.792 0.802 -0.005
235 1HB TRP 26 1HB TRP 26 7.376 -0.321 1.184
236 2HB TRP 26 2HB TRP 26 7.227 1.421 0.911
237 HD1 TRP 26 HD TRP 26 7.651 -1.883 -0.940
238 HE1 TRP 26 1HE TRP 26 7.063 -1.588 -3.401
239 HE3 TRP 26 3HE TRP 26 7.108 3.206 -1.036
240 HZ2 TRP 26 2HZ TRP 26 6.431 0.587 -5.202
241 HZ3 TRP 26 3HZ TRP 26 6.514 4.351 -3.139
242 HH2 TRP 26 HH TRP 26 6.173 3.061 -5.226
243 H VAL 27 H VAL 27 8.185 1.241 3.202
244 HA VAL 27 HA VAL 27 8.168 3.876 3.569
245 HB VAL 27 HB VAL 27 8.735 3.529 5.935
246 1HG1 VAL 27 1HG1 VAL 27 6.615 2.526 4.697
247 2HG1 VAL 27 2HG1 VAL 27 7.378 0.970 5.100
248 3HG1 VAL 27 3HG1 VAL 27 6.943 2.110 6.396
249 1HG2 VAL 27 1HG2 VAL 27 9.279 0.764 6.062
250 2HG2 VAL 27 2HG2 VAL 27 10.340 1.388 4.776
251 3HG2 VAL 27 3HG2 VAL 27 10.411 2.093 6.409
252 H LYS 28 H LYS 28 11.132 1.928 3.335
253 HA LYS 28 HA LYS 28 12.862 4.173 3.997
254 1HB LYS 28 1HB LYS 28 13.382 1.405 2.849
255 2HB LYS 28 2HB LYS 28 14.657 2.568 3.284
256 1HG LYS 28 1HG LYS 28 12.982 2.526 5.528
257 2HG LYS 28 2HG LYS 28 13.052 0.825 5.011
258 1HD LYS 28 1HD LYS 28 15.306 0.645 5.437
259 2HD LYS 28 2HD LYS 28 15.630 2.342 5.007
260 1HE LYS 28 1HE LYS 28 13.986 1.720 7.455
261 2HE LYS 28 2HE LYS 28 15.754 1.560 7.531
262 1HZ LYS 28 1HZ LYS 28 14.312 3.841 7.793
263 2HZ LYS 28 2HZ LYS 28 15.946 3.722 7.608
264 3HZ LYS 28 3HZ LYS 28 14.983 3.961 6.291
265 H VAL 29 H VAL 29 11.649 2.538 1.070
266 HA VAL 29 HA VAL 29 13.277 3.498 -0.909
267 HB VAL 29 HB VAL 29 10.254 3.257 -0.794
268 1HG1 VAL 29 1HG1 VAL 29 11.994 3.674 -3.259
269 2HG1 VAL 29 2HG1 VAL 29 10.223 3.503 -3.212
270 3HG1 VAL 29 3HG1 VAL 29 10.997 4.946 -2.514
271 1HG2 VAL 29 1HG2 VAL 29 10.623 1.176 -1.905
272 2HG2 VAL 29 2HG2 VAL 29 12.309 1.595 -2.292
273 3HG2 VAL 29 3HG2 VAL 29 11.843 1.241 -0.611
274 H GLN 30 H GLN 30 11.357 5.366 1.296
275 HA GLN 30 HA GLN 30 11.543 7.770 -0.421
276 1HB GLN 30 1HB GLN 30 9.794 8.613 0.800
277 2HB GLN 30 2HB GLN 30 9.492 6.883 1.085
278 1HG GLN 30 1HG GLN 30 10.967 7.075 3.146
279 2HG GLN 30 2HG GLN 30 10.959 8.835 2.899
280 1HE2 GLN 30 1HE2 GLN 30 9.466 9.920 4.042
281 2HE2 GLN 30 2HE2 GLN 30 7.923 9.283 4.570
282 H ARG 31 H ARG 31 12.594 6.444 2.734
283 HA ARG 31 HA ARG 31 13.952 7.488 4.343
284 1HB ARG 31 1HB ARG 31 15.415 6.033 3.088
285 2HB ARG 31 2HB ARG 31 15.593 7.242 1.794
286 1HG ARG 31 1HG ARG 31 16.257 8.502 4.288
287 2HG ARG 31 2HG ARG 31 17.146 6.962 4.192
288 1HD ARG 31 1HD ARG 31 17.493 7.845 1.653
289 2HD ARG 31 2HD ARG 31 17.357 9.406 2.490
290 HE ARG 31 HE ARG 31 19.169 7.586 3.832
291 1HH1 ARG 31 2HH2 ARG 31 18.817 9.888 1.171
292 2HH1 ARG 31 1HH2 ARG 31 20.519 10.288 1.111
293 1HH2 ARG 31 2HH1 ARG 31 21.417 8.114 3.752
294 2HH2 ARG 31 1HH1 ARG 31 22.001 9.277 2.583
295 H GLY 32 H GLY 32 12.799 9.515 4.605
296 1HA GLY 32 1HA GLY 32 13.726 11.793 2.993
297 2HA GLY 32 2HA GLY 32 12.469 11.808 4.250