Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
2944 | 1cw6 RC | 4507 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA LYS 1 HA LYS 1 -6.596 -6.052 6.497
2 1HB LYS 1 2HB LYS 1 -7.547 -7.062 4.506
3 2HB LYS 1 1HB LYS 1 -8.816 -6.815 5.696
4 1HG LYS 1 2HG LYS 1 -9.421 -4.716 4.463
5 2HG LYS 1 1HG LYS 1 -8.291 -5.218 3.204
6 1HD LYS 1 2HD LYS 1 -10.335 -6.009 2.429
7 2HD LYS 1 1HD LYS 1 -9.619 -7.426 3.198
8 1HE LYS 1 2HE LYS 1 -10.918 -6.563 5.302
9 2HE LYS 1 1HE LYS 1 -11.891 -5.711 4.103
10 1HZ LYS 1 1HZ LYS 1 -12.709 -7.649 3.250
11 2HZ LYS 1 2HZ LYS 1 -12.521 -8.107 4.868
12 3HZ LYS 1 3HZ LYS 1 -11.370 -8.572 3.719
13 H TYR 2 H TYR 2 -4.633 -5.250 5.923
14 HA TYR 2 HA TYR 2 -4.392 -3.052 4.090
15 1HB TYR 2 2HB TYR 2 -2.853 -4.014 6.132
16 2HB TYR 2 1HB TYR 2 -1.950 -4.533 4.711
17 HD1 TYR 2 1HD TYR 2 -0.665 -2.965 3.488
18 HD2 TYR 2 2HD TYR 2 -3.496 -1.654 6.335
19 HE1 TYR 2 1HE TYR 2 0.215 -0.698 3.287
20 HE2 TYR 2 2HE TYR 2 -2.618 0.631 6.172
21 HH TYR 2 HH TYR 2 0.320 1.346 4.598
22 H TYR 3 H TYR 3 -3.691 -3.135 1.981
23 HA TYR 3 HA TYR 3 -3.410 -5.835 0.814
24 1HB TYR 3 2HB TYR 3 -4.622 -3.299 -0.209
25 2HB TYR 3 1HB TYR 3 -3.915 -4.423 -1.366
26 HD1 TYR 3 1HD TYR 3 -6.799 -3.654 0.599
27 HD2 TYR 3 2HD TYR 3 -4.728 -6.847 -1.299
28 HE1 TYR 3 1HE TYR 3 -8.855 -5.002 0.642
29 HE2 TYR 3 2HE TYR 3 -6.776 -8.206 -1.258
30 HH TYR 3 HH TYR 3 -9.603 -7.278 -1.068
31 H GLY 4 H GLY 4 -1.234 -4.637 2.077
32 1HA GLY 4 2HA GLY 4 0.940 -3.964 1.766
33 2HA GLY 4 1HA GLY 4 0.852 -5.000 0.348
34 H ASN 5 H ASN 5 -1.265 -2.277 0.403
35 HA ASN 5 HA ASN 5 0.604 -0.572 -1.051
36 1HB ASN 5 2HB ASN 5 -1.580 -2.101 -2.281
37 2HB ASN 5 1HB ASN 5 -1.662 -0.378 -2.627
38 1HD2 ASN 5 1HD2 ASN 5 -1.135 -0.547 -4.759
39 2HD2 ASN 5 2HD2 ASN 5 0.432 -1.021 -5.313
40 H GLY 6 H GLY 6 -0.190 0.026 1.429
41 1HA GLY 6 2HA GLY 6 -1.429 1.475 2.741
42 2HA GLY 6 1HA GLY 6 -1.223 2.540 1.372
43 H VAL 7 H VAL 7 -3.091 -0.438 1.577
44 HA VAL 7 HA VAL 7 -5.561 1.138 1.276
45 HB VAL 7 HB VAL 7 -4.742 -1.231 -0.404
46 1HG1 VAL 7 1HG1 VAL 7 -6.928 -1.770 0.260
47 2HG1 VAL 7 2HG1 VAL 7 -7.120 -0.972 -1.304
48 3HG1 VAL 7 3HG1 VAL 7 -7.442 -0.085 0.191
49 1HG2 VAL 7 1HG2 VAL 7 -6.086 1.115 -1.558
50 2HG2 VAL 7 2HG2 VAL 7 -4.696 0.197 -2.149
51 3HG2 VAL 7 3HG2 VAL 7 -4.477 1.422 -0.900
52 H HIS 8 H HIS 8 -6.725 0.737 2.983
53 HA HIS 8 HA HIS 8 -6.925 -2.035 3.907
54 1HB HIS 8 2HB HIS 8 -7.445 -0.367 6.119
55 2HB HIS 8 1HB HIS 8 -6.086 -1.462 5.897
56 HD1 HIS 8 1HD HIS 8 -6.423 1.653 7.104
57 HD2 HIS 8 2HD HIS 8 -4.262 0.244 3.844
58 HE1 HIS 8 1HE HIS 8 -4.646 3.372 6.684
59 HE2 HIS 8 2HE HIS 8 -3.327 2.490 4.728
60 H CYS 9 H CYS 9 -8.904 -2.684 4.685
61 HA CYS 9 HA CYS 9 -11.086 -0.880 3.976
62 1HB CYS 9 2HB CYS 9 -11.335 -3.860 4.231
63 2HB CYS 9 1HB CYS 9 -12.421 -2.736 3.425
64 H THR 10 H THR 10 -11.479 0.157 5.817
65 HA THR 10 HA THR 10 -11.773 -1.381 8.290
66 HB THR 10 HB THR 10 -11.734 0.771 9.434
67 HG1 THR 10 1HG THR 10 -11.955 1.749 6.824
68 1HG2 THR 10 1HG2 THR 10 -9.561 -0.340 8.485
69 2HG2 THR 10 2HG2 THR 10 -9.518 1.256 9.235
70 3HG2 THR 10 3HG2 THR 10 -9.527 1.109 7.477
71 H LYS 11 H LYS 11 -13.544 -0.968 9.699
72 HA LYS 11 HA LYS 11 -15.800 -1.298 9.997
73 1HB LYS 11 2HB LYS 11 -16.947 0.785 10.004
74 2HB LYS 11 1HB LYS 11 -15.260 1.106 10.389
75 1HG LYS 11 2HG LYS 11 -14.842 2.078 8.325
76 2HG LYS 11 1HG LYS 11 -16.264 1.348 7.585
77 1HD LYS 11 2HD LYS 11 -17.059 2.977 9.810
78 2HD LYS 11 1HD LYS 11 -16.018 3.914 8.738
79 1HE LYS 11 2HE LYS 11 -17.835 4.269 7.498
80 2HE LYS 11 1HE LYS 11 -17.704 2.581 7.004
81 1HZ LYS 11 1HZ LYS 11 -19.070 2.089 9.067
82 2HZ LYS 11 2HZ LYS 11 -19.878 2.824 7.777
83 3HZ LYS 11 3HZ LYS 11 -19.414 3.745 9.117
84 H SER 12 H SER 12 -14.974 -2.371 7.487
85 HA SER 12 HA SER 12 -15.959 -3.425 5.729
86 1HB SER 12 2HB SER 12 -18.252 -3.675 5.631
87 2HB SER 12 1HB SER 12 -18.053 -3.186 7.312
88 HG SER 12 HG SER 12 -18.715 -1.142 6.790
89 H GLY 13 H GLY 13 -14.442 -1.266 5.222
90 1HA GLY 13 2HA GLY 13 -15.489 -0.396 2.681
91 2HA GLY 13 1HA GLY 13 -15.338 0.906 3.854
92 H CYS 14 H CYS 14 -13.815 -0.308 1.295
93 HA CYS 14 HA CYS 14 -11.118 -0.304 2.374
94 1HB CYS 14 2HB CYS 14 -11.991 -0.596 -0.489
95 2HB CYS 14 1HB CYS 14 -10.391 -0.915 0.170
96 H SER 15 H SER 15 -9.831 1.300 2.462
97 HA SER 15 HA SER 15 -10.092 3.528 0.596
98 1HB SER 15 2HB SER 15 -11.523 4.106 2.559
99 2HB SER 15 1HB SER 15 -10.094 3.989 3.586
100 HG SER 15 HG SER 15 -10.887 6.111 2.394
101 H VAL 16 H VAL 16 -8.279 5.199 1.119
102 HA VAL 16 HA VAL 16 -5.844 3.682 1.812
103 HB VAL 16 HB VAL 16 -6.016 5.923 -0.207
104 1HG1 VAL 16 1HG1 VAL 16 -3.795 5.914 -0.179
105 2HG1 VAL 16 2HG1 VAL 16 -3.765 4.178 -0.475
106 3HG1 VAL 16 3HG1 VAL 16 -3.843 4.785 1.173
107 1HG2 VAL 16 1HG2 VAL 16 -7.093 4.197 -1.292
108 2HG2 VAL 16 2HG2 VAL 16 -6.104 2.966 -0.491
109 3HG2 VAL 16 3HG2 VAL 16 -5.404 3.974 -1.764
110 H ASN 17 H ASN 17 -4.773 4.429 3.494
111 HA ASN 17 HA ASN 17 -5.392 6.939 4.716
112 1HB ASN 17 2HB ASN 17 -3.838 4.588 5.376
113 2HB ASN 17 1HB ASN 17 -2.929 6.050 5.741
114 1HD2 ASN 17 1HD2 ASN 17 -3.349 7.081 7.560
115 2HD2 ASN 17 2HD2 ASN 17 -4.697 6.784 8.599
116 H TRP 18 H TRP 18 -3.386 5.931 2.209
117 HA TRP 18 HA TRP 18 -1.905 6.917 0.848
118 1HB TRP 18 2HB TRP 18 -3.145 9.337 2.139
119 2HB TRP 18 1HB TRP 18 -1.876 9.485 0.917
120 HD1 TRP 18 HD TRP 18 -5.520 9.280 1.164
121 HE1 TRP 18 1HE TRP 18 -6.572 8.674 -1.103
122 HE3 TRP 18 3HE TRP 18 -1.329 7.724 -1.248
123 HZ2 TRP 18 2HZ TRP 18 -5.719 7.646 -3.592
124 HZ3 TRP 18 3HZ TRP 18 -1.518 6.928 -3.570
125 HH2 TRP 18 HH TRP 18 -3.676 6.880 -4.704
126 H GLY 19 H GLY 19 -1.610 8.819 3.883
127 1HA GLY 19 2HA GLY 19 1.164 9.067 3.738
128 2HA GLY 19 1HA GLY 19 0.243 9.063 5.246
129 H GLU 20 H GLU 20 -0.862 6.403 4.704
130 HA GLU 20 HA GLU 20 1.211 4.821 5.883
131 1HB GLU 20 2HB GLU 20 -1.617 4.277 4.981
132 2HB GLU 20 1HB GLU 20 -0.567 2.964 5.501
133 1HG GLU 20 2HG GLU 20 -0.499 5.107 7.409
134 2HG GLU 20 1HG GLU 20 -2.160 4.609 7.095
135 H ALA 21 H ALA 21 -0.351 5.069 2.731
136 HA ALA 21 HA ALA 21 1.043 2.899 1.500
137 1HB ALA 21 1HB ALA 21 0.205 5.041 -0.277
138 2HB ALA 21 2HB ALA 21 -1.070 4.547 0.837
139 3HB ALA 21 3HB ALA 21 -0.310 3.357 -0.223
140 H PHE 22 H PHE 22 1.456 6.383 1.679
141 HA PHE 22 HA PHE 22 3.581 6.725 -0.093
142 1HB PHE 22 2HB PHE 22 2.386 8.617 0.833
143 2HB PHE 22 1HB PHE 22 2.876 8.169 2.467
144 HD1 PHE 22 1HD PHE 22 4.260 9.210 -0.814
145 HD2 PHE 22 2HD PHE 22 4.793 9.066 3.391
146 HE1 PHE 22 1HE PHE 22 6.244 10.643 -1.024
147 HE2 PHE 22 2HE PHE 22 6.781 10.494 3.195
148 HZ PHE 22 HZ PHE 22 7.510 11.284 0.984
149 H SER 23 H SER 23 3.439 5.718 3.244
150 HA SER 23 HA SER 23 6.276 5.748 3.682
151 1HB SER 23 2HB SER 23 5.813 4.774 5.786
152 2HB SER 23 1HB SER 23 4.381 5.747 5.460
153 HG SER 23 HG SER 23 4.700 2.953 5.341
154 H ALA 24 H ALA 24 3.941 3.544 2.367
155 HA ALA 24 HA ALA 24 5.595 1.211 2.404
156 1HB ALA 24 1HB ALA 24 2.988 1.459 2.127
157 2HB ALA 24 2HB ALA 24 3.851 0.140 1.333
158 3HB ALA 24 3HB ALA 24 3.397 1.577 0.415
159 H GLY 25 H GLY 25 4.674 3.607 -0.043
160 1HA GLY 25 2HA GLY 25 6.191 2.540 -2.163
161 2HA GLY 25 1HA GLY 25 5.650 4.204 -2.039
162 H VAL 26 H VAL 26 7.006 5.115 0.195
163 HA VAL 26 HA VAL 26 9.535 5.744 -0.845
164 HB VAL 26 HB VAL 26 8.626 5.800 2.043
165 1HG1 VAL 26 1HG1 VAL 26 10.991 5.917 2.082
166 2HG1 VAL 26 2HG1 VAL 26 10.417 7.578 2.223
167 3HG1 VAL 26 3HG1 VAL 26 11.033 6.985 0.679
168 1HG2 VAL 26 1HG2 VAL 26 8.728 7.993 -0.010
169 2HG2 VAL 26 2HG2 VAL 26 8.135 8.106 1.650
170 3HG2 VAL 26 3HG2 VAL 26 7.277 7.106 0.469
171 H HIS 27 H HIS 27 8.584 3.174 1.414
172 HA HIS 27 HA HIS 27 11.197 2.402 2.135
173 1HB HIS 27 2HB HIS 27 8.647 0.775 1.983
174 2HB HIS 27 1HB HIS 27 10.143 0.203 2.713
175 HD1 HIS 27 1HD HIS 27 9.646 3.711 3.396
176 HD2 HIS 27 2HD HIS 27 8.388 0.125 5.071
177 HE1 HIS 27 1HE HIS 27 8.829 4.292 5.683
178 HE2 HIS 27 2HE HIS 27 8.184 2.096 6.734
179 H ARG 28 H ARG 28 9.059 1.447 -0.487
180 HA ARG 28 HA ARG 28 10.836 -0.480 -1.620
181 1HB ARG 28 2HB ARG 28 8.509 -0.748 -2.033
182 2HB ARG 28 1HB ARG 28 8.345 0.905 -2.602
183 1HG ARG 28 2HG ARG 28 8.225 -0.575 -4.469
184 2HG ARG 28 1HG ARG 28 9.741 0.324 -4.556
185 1HD ARG 28 2HD ARG 28 9.878 -2.230 -3.103
186 2HD ARG 28 1HD ARG 28 9.538 -2.366 -4.829
187 HE ARG 28 HE ARG 28 11.678 -0.594 -4.460
188 1HH1 ARG 28 1HH1 ARG 28 10.949 -3.989 -4.124
189 2HH1 ARG 28 2HH1 ARG 28 12.572 -4.499 -4.446
190 1HH2 ARG 28 1HH2 ARG 28 13.815 -1.263 -4.888
191 2HH2 ARG 28 2HH2 ARG 28 14.199 -2.952 -4.880
192 H LEU 29 H LEU 29 10.039 2.896 -2.313
193 HA LEU 29 HA LEU 29 11.678 3.102 -4.629
194 1HB LEU 29 2HB LEU 29 9.800 4.543 -4.440
195 2HB LEU 29 1HB LEU 29 10.324 5.131 -2.875
196 HG LEU 29 HG LEU 29 12.121 6.378 -3.861
197 1HD1 LEU 29 1HD1 LEU 29 12.754 4.762 -5.587
198 2HD1 LEU 29 2HD1 LEU 29 12.561 6.383 -6.254
199 3HD1 LEU 29 3HD1 LEU 29 11.303 5.172 -6.500
200 1HD2 LEU 29 1HD2 LEU 29 10.000 7.014 -5.820
201 2HD2 LEU 29 2HD2 LEU 29 10.858 8.064 -4.693
202 3HD2 LEU 29 3HD2 LEU 29 9.544 7.040 -4.117
203 H ALA 30 H ALA 30 12.015 4.342 -1.336
204 HA ALA 30 HA ALA 30 14.566 5.491 -1.741
205 1HB ALA 30 1HB ALA 30 12.653 5.787 0.102
206 2HB ALA 30 2HB ALA 30 14.325 6.297 0.348
207 3HB ALA 30 3HB ALA 30 13.767 4.753 0.996
208 H ASN 31 H ASN 31 13.825 2.261 -1.657
209 HA ASN 31 HA ASN 31 16.049 1.394 -0.032
210 1HB ASN 31 2HB ASN 31 14.029 0.018 -0.132
211 2HB ASN 31 1HB ASN 31 14.227 -0.176 -1.871
212 1HD2 ASN 31 1HD2 ASN 31 14.139 -2.466 -1.258
213 2HD2 ASN 31 2HD2 ASN 31 15.606 -3.251 -0.793
214 H GLY 32 H GLY 32 15.338 1.825 -3.446
215 1HA GLY 32 2HA GLY 32 17.808 0.583 -4.298
216 2HA GLY 32 1HA GLY 32 16.636 1.394 -5.325
217 H GLY 33 H GLY 33 18.810 2.299 -2.639
218 1HA GLY 33 2HA GLY 33 19.410 4.801 -4.061
219 2HA GLY 33 1HA GLY 33 19.729 4.476 -2.365
220 H ASN 34 H ASN 34 20.759 3.648 -5.646
221 HA ASN 34 HA ASN 34 22.794 3.192 -6.527
222 1HB ASN 34 2HB ASN 34 23.956 4.128 -3.896
223 2HB ASN 34 1HB ASN 34 24.772 4.041 -5.453
224 1HD2 ASN 34 1HD2 ASN 34 24.860 6.363 -4.146
225 2HD2 ASN 34 2HD2 ASN 34 23.845 7.540 -4.900
226 H GLY 35 H GLY 35 23.072 2.309 -3.062
227 1HA GLY 35 2HA GLY 35 23.418 -0.483 -3.866
228 2HA GLY 35 1HA GLY 35 24.756 0.274 -3.011
229 H PHE 36 H PHE 36 24.641 -1.018 -1.198
230 HA PHE 36 HA PHE 36 23.929 -1.758 0.832
231 1HB PHE 36 2HB PHE 36 23.071 1.009 0.582
232 2HB PHE 36 1HB PHE 36 22.019 0.098 1.660
233 HD1 PHE 36 1HD PHE 36 22.732 -0.542 3.814
234 HD2 PHE 36 2HD PHE 36 25.511 1.119 1.052
235 HE1 PHE 36 1HE PHE 36 24.387 -0.316 5.621
236 HE2 PHE 36 2HE PHE 36 27.172 1.348 2.853
237 HZ PHE 36 HZ PHE 36 26.611 0.629 5.141
238 H TRP 37 H TRP 37 22.875 -3.570 -0.193
239 HA TRP 37 HA TRP 37 20.072 -3.449 -0.805
240 1HB TRP 37 2HB TRP 37 21.882 -5.041 -1.783
241 2HB TRP 37 1HB TRP 37 21.578 -6.006 -0.341
242 HD1 TRP 37 HD TRP 37 19.627 -4.581 -3.367
243 HE1 TRP 37 1HE TRP 37 17.679 -6.181 -3.883
244 HE3 TRP 37 3HE TRP 37 20.224 -7.862 0.508
245 HZ2 TRP 37 2HZ TRP 37 16.546 -8.526 -2.792
246 HZ3 TRP 37 3HZ TRP 37 18.666 -9.757 0.700
247 HH2 TRP 37 HH TRP 37 16.865 -10.080 -0.917
Start of MODEL 2
1 HA LYS 1 HA LYS 1 -5.982 -6.118 6.263
2 1HB LYS 1 2HB LYS 1 -7.501 -7.477 5.225
3 2HB LYS 1 1HB LYS 1 -8.394 -6.127 4.537
4 1HG LYS 1 2HG LYS 1 -7.080 -6.032 2.657
5 2HG LYS 1 1HG LYS 1 -5.691 -6.756 3.462
6 1HD LYS 1 2HD LYS 1 -7.966 -8.564 3.364
7 2HD LYS 1 1HD LYS 1 -7.449 -8.040 1.758
8 1HE LYS 1 2HE LYS 1 -5.599 -9.161 3.857
9 2HE LYS 1 1HE LYS 1 -6.325 -10.113 2.563
10 1HZ LYS 1 1HZ LYS 1 -5.161 -8.856 0.942
11 2HZ LYS 1 2HZ LYS 1 -4.027 -9.308 2.113
12 3HZ LYS 1 3HZ LYS 1 -4.629 -7.727 2.084
13 H TYR 2 H TYR 2 -4.091 -5.153 5.736
14 HA TYR 2 HA TYR 2 -3.981 -2.883 4.014
15 1HB TYR 2 2HB TYR 2 -2.470 -3.718 6.051
16 2HB TYR 2 1HB TYR 2 -1.510 -4.349 4.706
17 HD1 TYR 2 1HD TYR 2 -3.007 -1.392 6.159
18 HD2 TYR 2 2HD TYR 2 -0.296 -2.873 3.291
19 HE1 TYR 2 1HE TYR 2 -2.134 0.884 5.821
20 HE2 TYR 2 2HE TYR 2 0.572 -0.624 2.913
21 HH TYR 2 HH TYR 2 0.586 1.644 4.679
22 H TYR 3 H TYR 3 -3.464 -2.822 1.896
23 HA TYR 3 HA TYR 3 -2.881 -5.380 0.546
24 1HB TYR 3 2HB TYR 3 -4.334 -2.905 -0.212
25 2HB TYR 3 1HB TYR 3 -3.441 -3.715 -1.502
26 HD1 TYR 3 1HD TYR 3 -3.935 -6.177 -1.926
27 HD2 TYR 3 2HD TYR 3 -6.408 -3.716 0.503
28 HE1 TYR 3 1HE TYR 3 -5.758 -7.811 -2.140
29 HE2 TYR 3 2HE TYR 3 -8.244 -5.338 0.291
30 HH TYR 3 HH TYR 3 -8.492 -7.557 -1.947
31 H GLY 4 H GLY 4 -0.811 -4.152 1.935
32 1HA GLY 4 2HA GLY 4 1.278 -3.202 1.734
33 2HA GLY 4 1HA GLY 4 1.352 -4.253 0.326
34 H ASN 5 H ASN 5 -0.915 -1.616 0.421
35 HA ASN 5 HA ASN 5 0.835 0.173 -1.068
36 1HB ASN 5 2HB ASN 5 -1.380 -1.391 -2.254
37 2HB ASN 5 1HB ASN 5 -1.371 0.322 -2.653
38 1HD2 ASN 5 1HD2 ASN 5 -0.892 -0.047 -4.790
39 2HD2 ASN 5 2HD2 ASN 5 0.664 -0.579 -5.316
40 H GLY 6 H GLY 6 -0.266 0.379 1.526
41 1HA GLY 6 2HA GLY 6 -1.465 1.859 2.829
42 2HA GLY 6 1HA GLY 6 -1.401 2.931 1.455
43 H VAL 7 H VAL 7 -2.847 -0.165 1.046
44 HA VAL 7 HA VAL 7 -5.505 1.135 1.036
45 HB VAL 7 HB VAL 7 -4.473 -1.071 -0.739
46 1HG1 VAL 7 1HG1 VAL 7 -6.570 -1.894 -0.103
47 2HG1 VAL 7 2HG1 VAL 7 -6.904 -1.002 -1.590
48 3HG1 VAL 7 3HG1 VAL 7 -7.263 -0.274 -0.023
49 1HG2 VAL 7 1HG2 VAL 7 -6.082 1.168 -1.752
50 2HG2 VAL 7 2HG2 VAL 7 -4.636 0.412 -2.432
51 3HG2 VAL 7 3HG2 VAL 7 -4.488 1.596 -1.133
52 H HIS 8 H HIS 8 -6.334 0.641 2.953
53 HA HIS 8 HA HIS 8 -6.322 -2.180 3.723
54 1HB HIS 8 2HB HIS 8 -7.219 -0.520 5.874
55 2HB HIS 8 1HB HIS 8 -5.806 -1.567 5.808
56 HD1 HIS 8 1HD HIS 8 -6.187 1.447 7.043
57 HD2 HIS 8 2HD HIS 8 -4.073 0.265 3.663
58 HE1 HIS 8 1HE HIS 8 -4.464 3.239 6.669
59 HE2 HIS 8 2HE HIS 8 -3.221 2.529 4.597
60 H CYS 9 H CYS 9 -8.271 -2.948 4.828
61 HA CYS 9 HA CYS 9 -10.642 -1.550 3.866
62 1HB CYS 9 2HB CYS 9 -10.415 -4.542 4.013
63 2HB CYS 9 1HB CYS 9 -11.702 -3.592 3.282
64 H THR 10 H THR 10 -10.868 -0.568 5.838
65 HA THR 10 HA THR 10 -11.408 -2.303 8.143
66 HB THR 10 HB THR 10 -10.934 -0.480 9.545
67 HG1 THR 10 1HG THR 10 -10.563 1.657 8.392
68 1HG2 THR 10 1HG2 THR 10 -8.774 0.207 9.034
69 2HG2 THR 10 2HG2 THR 10 -9.071 0.165 7.296
70 3HG2 THR 10 3HG2 THR 10 -8.938 -1.342 8.207
71 H LYS 11 H LYS 11 -13.189 -2.235 9.294
72 HA LYS 11 HA LYS 11 -15.519 -2.406 9.293
73 1HB LYS 11 2HB LYS 11 -15.032 0.510 9.786
74 2HB LYS 11 1HB LYS 11 -16.284 -0.499 10.497
75 1HG LYS 11 2HG LYS 11 -13.422 -1.185 10.943
76 2HG LYS 11 1HG LYS 11 -14.146 0.145 11.845
77 1HD LYS 11 2HD LYS 11 -15.699 -2.366 11.751
78 2HD LYS 11 1HD LYS 11 -14.193 -2.416 12.671
79 1HE LYS 11 2HE LYS 11 -16.151 -0.186 13.069
80 2HE LYS 11 1HE LYS 11 -16.390 -1.739 13.867
81 1HZ LYS 11 1HZ LYS 11 -14.432 -1.499 15.080
82 2HZ LYS 11 2HZ LYS 11 -15.115 0.048 15.122
83 3HZ LYS 11 3HZ LYS 11 -13.829 -0.279 14.073
84 H SER 12 H SER 12 -14.867 0.746 7.747
85 HA SER 12 HA SER 12 -17.394 0.645 6.377
86 1HB SER 12 2HB SER 12 -16.908 2.863 5.634
87 2HB SER 12 1HB SER 12 -16.354 2.741 7.304
88 HG SER 12 HG SER 12 -14.940 3.599 5.373
89 H GLY 13 H GLY 13 -14.646 -0.952 5.658
90 1HA GLY 13 2HA GLY 13 -14.736 -2.215 3.557
91 2HA GLY 13 1HA GLY 13 -15.187 -0.718 2.759
92 H CYS 14 H CYS 14 -13.455 -1.033 1.277
93 HA CYS 14 HA CYS 14 -10.747 -0.878 2.338
94 1HB CYS 14 2HB CYS 14 -11.647 -1.136 -0.516
95 2HB CYS 14 1HB CYS 14 -9.998 -1.270 0.081
96 H SER 15 H SER 15 -9.599 0.825 2.470
97 HA SER 15 HA SER 15 -10.093 3.113 0.729
98 1HB SER 15 2HB SER 15 -10.283 4.713 2.534
99 2HB SER 15 1HB SER 15 -11.514 3.471 2.762
100 HG SER 15 HG SER 15 -9.134 3.913 4.195
101 H VAL 16 H VAL 16 -8.394 4.872 1.192
102 HA VAL 16 HA VAL 16 -5.834 3.550 1.818
103 HB VAL 16 HB VAL 16 -6.169 5.868 -0.081
104 1HG1 VAL 16 1HG1 VAL 16 -3.950 5.920 -0.105
105 2HG1 VAL 16 2HG1 VAL 16 -3.901 4.236 -0.610
106 3HG1 VAL 16 3HG1 VAL 16 -3.910 4.641 1.103
107 1HG2 VAL 16 1HG2 VAL 16 -6.346 2.954 -0.538
108 2HG2 VAL 16 2HG2 VAL 16 -5.541 3.963 -1.748
109 3HG2 VAL 16 3HG2 VAL 16 -7.225 4.281 -1.314
110 H ASN 17 H ASN 17 -4.769 4.355 3.482
111 HA ASN 17 HA ASN 17 -5.631 6.782 4.767
112 1HB ASN 17 2HB ASN 17 -3.858 4.563 5.392
113 2HB ASN 17 1HB ASN 17 -3.141 6.106 5.845
114 1HD2 ASN 17 1HD2 ASN 17 -3.716 6.963 7.710
115 2HD2 ASN 17 2HD2 ASN 17 -5.069 6.483 8.670
116 H TRP 18 H TRP 18 -3.593 6.011 2.227
117 HA TRP 18 HA TRP 18 -2.223 7.153 0.879
118 1HB TRP 18 2HB TRP 18 -3.521 9.451 2.343
119 2HB TRP 18 1HB TRP 18 -2.338 9.702 1.053
120 HD1 TRP 18 HD TRP 18 -5.961 9.224 1.521
121 HE1 TRP 18 1HE TRP 18 -7.105 8.646 -0.704
122 HE3 TRP 18 3HE TRP 18 -1.828 8.136 -1.225
123 HZ2 TRP 18 2HZ TRP 18 -6.342 7.821 -3.293
124 HZ3 TRP 18 3HZ TRP 18 -2.107 7.449 -3.573
125 HH2 TRP 18 HH TRP 18 -4.326 7.279 -4.571
126 H GLY 19 H GLY 19 -1.864 9.044 3.923
127 1HA GLY 19 2HA GLY 19 0.905 9.301 3.683
128 2HA GLY 19 1HA GLY 19 0.037 9.314 5.223
129 H GLU 20 H GLU 20 -1.053 6.604 4.643
130 HA GLU 20 HA GLU 20 1.058 5.050 5.807
131 1HB GLU 20 2HB GLU 20 -1.804 4.742 5.259
132 2HB GLU 20 1HB GLU 20 -0.896 3.266 4.988
133 1HG GLU 20 2HG GLU 20 -0.623 4.836 7.523
134 2HG GLU 20 1HG GLU 20 -1.897 3.638 7.297
135 H ALA 21 H ALA 21 -0.559 5.331 2.692
136 HA ALA 21 HA ALA 21 0.817 3.218 1.376
137 1HB ALA 21 1HB ALA 21 -1.313 4.780 0.790
138 2HB ALA 21 2HB ALA 21 -0.441 3.815 -0.404
139 3HB ALA 21 3HB ALA 21 -0.071 5.529 -0.211
140 H PHE 22 H PHE 22 1.319 6.661 1.797
141 HA PHE 22 HA PHE 22 3.454 7.056 0.026
142 1HB PHE 22 2HB PHE 22 2.179 8.859 1.206
143 2HB PHE 22 1HB PHE 22 2.974 8.392 2.706
144 HD1 PHE 22 1HD PHE 22 5.543 8.495 2.741
145 HD2 PHE 22 2HD PHE 22 3.145 10.437 -0.190
146 HE1 PHE 22 1HE PHE 22 7.412 10.005 2.218
147 HE2 PHE 22 2HE PHE 22 5.013 11.952 -0.718
148 HZ PHE 22 HZ PHE 22 7.149 11.735 0.486
149 H SER 23 H SER 23 3.233 5.907 3.316
150 HA SER 23 HA SER 23 6.055 5.731 3.795
151 1HB SER 23 2HB SER 23 3.630 4.565 5.170
152 2HB SER 23 1HB SER 23 5.268 4.170 5.688
153 HG SER 23 HG SER 23 4.983 5.918 6.845
154 H ALA 24 H ALA 24 3.623 3.668 2.402
155 HA ALA 24 HA ALA 24 5.184 1.266 2.461
156 1HB ALA 24 1HB ALA 24 2.941 1.725 0.539
157 2HB ALA 24 2HB ALA 24 2.609 1.556 2.263
158 3HB ALA 24 3HB ALA 24 3.403 0.247 1.384
159 H GLY 25 H GLY 25 4.319 3.623 -0.038
160 1HA GLY 25 2HA GLY 25 5.785 2.426 -2.127
161 2HA GLY 25 1HA GLY 25 5.258 4.100 -2.074
162 H VAL 26 H VAL 26 6.685 4.866 0.280
163 HA VAL 26 HA VAL 26 9.178 5.554 -0.875
164 HB VAL 26 HB VAL 26 8.312 5.665 2.033
165 1HG1 VAL 26 1HG1 VAL 26 10.720 6.778 0.617
166 2HG1 VAL 26 2HG1 VAL 26 10.670 5.742 2.044
167 3HG1 VAL 26 3HG1 VAL 26 10.138 7.420 2.155
168 1HG2 VAL 26 1HG2 VAL 26 7.215 7.046 0.016
169 2HG2 VAL 26 2HG2 VAL 26 8.570 8.108 0.398
170 3HG2 VAL 26 3HG2 VAL 26 7.397 7.689 1.647
171 H HIS 27 H HIS 27 8.243 3.048 1.454
172 HA HIS 27 HA HIS 27 10.865 2.241 2.104
173 1HB HIS 27 2HB HIS 27 8.279 0.667 2.047
174 2HB HIS 27 1HB HIS 27 9.785 0.058 2.723
175 HD1 HIS 27 1HD HIS 27 9.270 3.601 3.381
176 HD2 HIS 27 2HD HIS 27 8.246 0.003 5.185
177 HE1 HIS 27 1HE HIS 27 8.584 4.192 5.710
178 HE2 HIS 27 2HE HIS 27 8.071 1.994 6.828
179 H ARG 28 H ARG 28 8.649 1.363 -0.488
180 HA ARG 28 HA ARG 28 10.277 -0.669 -1.626
181 1HB ARG 28 2HB ARG 28 7.978 0.967 -2.680
182 2HB ARG 28 1HB ARG 28 8.803 -0.230 -3.669
183 1HG ARG 28 2HG ARG 28 8.289 -1.786 -1.604
184 2HG ARG 28 1HG ARG 28 7.009 -0.601 -1.331
185 1HD ARG 28 2HD ARG 28 6.063 -2.312 -2.664
186 2HD ARG 28 1HD ARG 28 6.342 -0.941 -3.737
187 HE ARG 28 HE ARG 28 8.583 -2.381 -4.065
188 1HH1 ARG 28 1HH1 ARG 28 5.209 -3.272 -4.152
189 2HH1 ARG 28 2HH1 ARG 28 5.452 -4.562 -5.281
190 1HH2 ARG 28 1HH2 ARG 28 8.901 -4.075 -5.553
191 2HH2 ARG 28 2HH2 ARG 28 7.546 -5.019 -6.076
192 H LEU 29 H LEU 29 9.781 2.772 -2.423
193 HA LEU 29 HA LEU 29 11.597 2.790 -4.600
194 1HB LEU 29 2HB LEU 29 10.857 5.198 -2.980
195 2HB LEU 29 1HB LEU 29 11.309 5.126 -4.673
196 HG LEU 29 HG LEU 29 8.727 4.241 -3.431
197 1HD1 LEU 29 1HD1 LEU 29 7.727 5.936 -4.704
198 2HD1 LEU 29 2HD1 LEU 29 9.178 6.167 -5.679
199 3HD1 LEU 29 3HD1 LEU 29 9.163 6.666 -3.986
200 1HD2 LEU 29 1HD2 LEU 29 10.022 3.401 -5.923
201 2HD2 LEU 29 2HD2 LEU 29 8.337 3.905 -6.072
202 3HD2 LEU 29 3HD2 LEU 29 8.778 2.606 -4.961
203 H ALA 30 H ALA 30 11.797 4.002 -1.334
204 HA ALA 30 HA ALA 30 14.460 4.907 -1.451
205 1HB ALA 30 1HB ALA 30 13.156 4.065 1.101
206 2HB ALA 30 2HB ALA 30 12.558 5.458 0.201
207 3HB ALA 30 3HB ALA 30 14.222 5.435 0.788
208 H ASN 31 H ASN 31 13.211 1.699 -0.981
209 HA ASN 31 HA ASN 31 15.621 0.770 0.330
210 1HB ASN 31 2HB ASN 31 13.403 -0.245 0.831
211 2HB ASN 31 1HB ASN 31 13.360 -0.890 -0.812
212 1HD2 ASN 31 1HD2 ASN 31 14.486 -1.302 2.368
213 2HD2 ASN 31 2HD2 ASN 31 15.407 -2.740 2.109
214 H GLY 32 H GLY 32 16.757 1.826 -1.653
215 1HA GLY 32 2HA GLY 32 18.309 0.137 -2.986
216 2HA GLY 32 1HA GLY 32 16.851 0.045 -3.963
217 H GLY 33 H GLY 33 16.357 2.982 -3.266
218 1HA GLY 33 2HA GLY 33 18.534 4.313 -4.673
219 2HA GLY 33 1HA GLY 33 17.000 4.248 -5.531
220 H ASN 34 H ASN 34 18.871 6.051 -3.463
221 HA ASN 34 HA ASN 34 16.664 7.875 -2.947
222 1HB ASN 34 2HB ASN 34 17.218 8.062 -0.535
223 2HB ASN 34 1HB ASN 34 16.610 6.465 -0.965
224 1HD2 ASN 34 1HD2 ASN 34 18.098 4.731 -1.126
225 2HD2 ASN 34 2HD2 ASN 34 19.601 4.774 -0.275
226 H GLY 35 H GLY 35 17.534 9.547 -4.044
227 1HA GLY 35 2HA GLY 35 20.242 10.440 -3.232
228 2HA GLY 35 1HA GLY 35 19.615 10.625 -4.865
229 H PHE 36 H PHE 36 17.774 11.174 -1.921
230 HA PHE 36 HA PHE 36 17.020 13.797 -2.815
231 1HB PHE 36 2HB PHE 36 16.284 11.993 -0.569
232 2HB PHE 36 1HB PHE 36 16.024 13.717 -0.324
233 HD1 PHE 36 1HD PHE 36 14.128 14.750 -1.172
234 HD2 PHE 36 2HD PHE 36 15.287 10.942 -2.679
235 HE1 PHE 36 1HE PHE 36 12.027 14.619 -2.447
236 HE2 PHE 36 2HE PHE 36 13.188 10.804 -3.955
237 HZ PHE 36 HZ PHE 36 11.555 12.644 -3.840
238 H TRP 37 H TRP 37 17.891 15.703 -2.274
239 HA TRP 37 HA TRP 37 20.270 15.768 -0.662
240 1HB TRP 37 2HB TRP 37 18.951 17.514 -2.581
241 2HB TRP 37 1HB TRP 37 19.561 18.407 -1.191
242 HD1 TRP 37 HD TRP 37 20.692 16.638 -4.322
243 HE1 TRP 37 1HE TRP 37 23.241 16.889 -4.574
244 HE3 TRP 37 3HE TRP 37 21.775 18.594 0.276
245 HZ2 TRP 37 2HZ TRP 37 25.422 17.797 -3.028
246 HZ3 TRP 37 3HZ TRP 37 24.116 19.127 0.809
247 HH2 TRP 37 HH TRP 37 25.901 18.735 -0.810
Start of MODEL 3
1 HA LYS 1 HA LYS 1 -6.686 -5.941 6.966
2 1HB LYS 1 2HB LYS 1 -7.520 -6.825 4.775
3 2HB LYS 1 1HB LYS 1 -8.669 -6.998 6.104
4 1HG LYS 1 2HG LYS 1 -9.538 -4.685 5.173
5 2HG LYS 1 1HG LYS 1 -8.772 -5.267 3.694
6 1HD LYS 1 2HD LYS 1 -10.915 -6.678 5.291
7 2HD LYS 1 1HD LYS 1 -11.118 -5.903 3.720
8 1HE LYS 1 2HE LYS 1 -10.725 -7.922 2.848
9 2HE LYS 1 1HE LYS 1 -9.038 -7.646 3.278
10 1HZ LYS 1 1HZ LYS 1 -10.910 -8.822 5.232
11 2HZ LYS 1 2HZ LYS 1 -9.225 -8.947 5.168
12 3HZ LYS 1 3HZ LYS 1 -10.178 -9.793 4.056
13 H TYR 2 H TYR 2 -4.786 -4.974 6.407
14 HA TYR 2 HA TYR 2 -4.613 -2.844 4.559
15 1HB TYR 2 2HB TYR 2 -3.131 -3.592 6.622
16 2HB TYR 2 1HB TYR 2 -2.314 -4.564 5.410
17 HD1 TYR 2 1HD TYR 2 -0.380 -3.213 6.260
18 HD2 TYR 2 2HD TYR 2 -3.568 -1.535 4.058
19 HE1 TYR 2 1HE TYR 2 1.029 -1.273 5.731
20 HE2 TYR 2 2HE TYR 2 -2.205 0.408 3.519
21 HH TYR 2 HH TYR 2 1.143 0.490 3.958
22 H TYR 3 H TYR 3 -3.122 -3.098 2.654
23 HA TYR 3 HA TYR 3 -3.386 -5.778 1.448
24 1HB TYR 3 2HB TYR 3 -4.292 -3.119 0.473
25 2HB TYR 3 1HB TYR 3 -3.606 -4.205 -0.731
26 HD1 TYR 3 1HD TYR 3 -4.510 -6.779 -0.186
27 HD2 TYR 3 2HD TYR 3 -6.574 -3.148 0.458
28 HE1 TYR 3 1HE TYR 3 -6.651 -7.985 -0.349
29 HE2 TYR 3 2HE TYR 3 -8.724 -4.314 0.287
30 HH TYR 3 HH TYR 3 -9.398 -6.764 -1.003
31 H GLY 4 H GLY 4 -1.423 -3.027 2.069
32 1HA GLY 4 2HA GLY 4 0.946 -3.244 2.044
33 2HA GLY 4 1HA GLY 4 0.797 -4.349 0.681
34 H ASN 5 H ASN 5 -1.251 -1.668 0.481
35 HA ASN 5 HA ASN 5 0.659 -0.087 -1.081
36 1HB ASN 5 2HB ASN 5 -1.839 -1.395 -2.058
37 2HB ASN 5 1HB ASN 5 -1.498 0.232 -2.637
38 1HD2 ASN 5 1HD2 ASN 5 -1.498 -2.428 -3.984
39 2HD2 ASN 5 2HD2 ASN 5 0.049 -2.539 -4.746
40 H GLY 6 H GLY 6 -1.066 -0.009 1.557
41 1HA GLY 6 2HA GLY 6 -1.628 1.974 2.713
42 2HA GLY 6 1HA GLY 6 -1.793 2.793 1.167
43 H VAL 7 H VAL 7 -3.297 0.116 0.457
44 HA VAL 7 HA VAL 7 -5.918 1.220 0.972
45 HB VAL 7 HB VAL 7 -5.039 -1.181 -0.630
46 1HG1 VAL 7 1HG1 VAL 7 -7.760 0.016 -0.226
47 2HG1 VAL 7 2HG1 VAL 7 -7.234 -1.604 0.226
48 3HG1 VAL 7 3HG1 VAL 7 -7.365 -1.166 -1.477
49 1HG2 VAL 7 1HG2 VAL 7 -4.638 1.284 -1.371
50 2HG2 VAL 7 2HG2 VAL 7 -6.365 1.234 -1.729
51 3HG2 VAL 7 3HG2 VAL 7 -5.266 0.098 -2.513
52 H HIS 8 H HIS 8 -6.772 0.821 2.886
53 HA HIS 8 HA HIS 8 -6.810 -1.970 3.805
54 1HB HIS 8 2HB HIS 8 -7.427 -0.126 5.943
55 2HB HIS 8 1HB HIS 8 -6.188 -1.372 5.883
56 HD1 HIS 8 1HD HIS 8 -6.054 1.661 7.046
57 HD2 HIS 8 2HD HIS 8 -4.307 0.135 3.608
58 HE1 HIS 8 1HE HIS 8 -4.142 3.190 6.531
59 HE2 HIS 8 2HE HIS 8 -2.988 2.151 4.556
60 H CYS 9 H CYS 9 -8.745 -2.680 4.726
61 HA CYS 9 HA CYS 9 -11.030 -1.007 3.998
62 1HB CYS 9 2HB CYS 9 -11.162 -3.993 4.243
63 2HB CYS 9 1HB CYS 9 -12.268 -2.906 3.413
64 H THR 10 H THR 10 -11.080 0.033 5.928
65 HA THR 10 HA THR 10 -11.352 -1.510 8.376
66 HB THR 10 HB THR 10 -10.929 0.434 9.542
67 HG1 THR 10 1HG THR 10 -11.337 2.449 7.848
68 1HG2 THR 10 1HG2 THR 10 -9.235 0.036 7.467
69 2HG2 THR 10 2HG2 THR 10 -8.997 1.216 8.751
70 3HG2 THR 10 3HG2 THR 10 -9.707 1.716 7.216
71 H LYS 11 H LYS 11 -13.174 -1.836 9.449
72 HA LYS 11 HA LYS 11 -15.347 -1.709 10.099
73 1HB LYS 11 2HB LYS 11 -14.895 0.867 9.019
74 2HB LYS 11 1HB LYS 11 -16.434 0.312 8.379
75 1HG LYS 11 2HG LYS 11 -17.393 0.150 10.448
76 2HG LYS 11 1HG LYS 11 -15.840 0.054 11.280
77 1HD LYS 11 2HD LYS 11 -15.449 2.440 10.478
78 2HD LYS 11 1HD LYS 11 -17.161 2.463 10.056
79 1HE LYS 11 2HE LYS 11 -17.286 1.524 12.586
80 2HE LYS 11 1HE LYS 11 -15.854 2.549 12.691
81 1HZ LYS 11 1HZ LYS 11 -18.074 3.626 13.177
82 2HZ LYS 11 2HZ LYS 11 -18.389 3.521 11.519
83 3HZ LYS 11 3HZ LYS 11 -17.073 4.428 12.073
84 H SER 12 H SER 12 -15.925 -0.512 6.840
85 HA SER 12 HA SER 12 -16.595 -3.151 5.857
86 1HB SER 12 2HB SER 12 -18.916 -1.982 5.141
87 2HB SER 12 1HB SER 12 -18.730 -2.936 6.612
88 HG SER 12 HG SER 12 -19.486 -0.453 6.458
89 H GLY 13 H GLY 13 -14.830 -0.772 5.211
90 1HA GLY 13 2HA GLY 13 -15.392 -0.816 2.356
91 2HA GLY 13 1HA GLY 13 -15.447 0.763 3.121
92 H CYS 14 H CYS 14 -13.643 -0.355 1.045
93 HA CYS 14 HA CYS 14 -11.077 -0.369 2.413
94 1HB CYS 14 2HB CYS 14 -11.624 -0.691 -0.527
95 2HB CYS 14 1HB CYS 14 -10.105 -0.998 0.310
96 H SER 15 H SER 15 -9.798 1.248 2.567
97 HA SER 15 HA SER 15 -9.967 3.479 0.694
98 1HB SER 15 2HB SER 15 -10.149 3.933 3.680
99 2HB SER 15 1HB SER 15 -10.205 5.159 2.413
100 HG SER 15 HG SER 15 -12.295 4.643 3.137
101 H VAL 16 H VAL 16 -8.121 4.825 0.692
102 HA VAL 16 HA VAL 16 -5.744 3.470 1.726
103 HB VAL 16 HB VAL 16 -5.798 5.772 -0.204
104 1HG1 VAL 16 1HG1 VAL 16 -3.746 4.013 0.928
105 2HG1 VAL 16 2HG1 VAL 16 -3.601 5.624 0.234
106 3HG1 VAL 16 3HG1 VAL 16 -3.649 4.217 -0.823
107 1HG2 VAL 16 1HG2 VAL 16 -5.221 3.605 -1.724
108 2HG2 VAL 16 2HG2 VAL 16 -6.795 4.415 -1.647
109 3HG2 VAL 16 3HG2 VAL 16 -6.482 2.987 -0.648
110 H ASN 17 H ASN 17 -4.651 4.241 3.397
111 HA ASN 17 HA ASN 17 -5.389 6.697 4.658
112 1HB ASN 17 2HB ASN 17 -3.683 4.435 5.260
113 2HB ASN 17 1HB ASN 17 -2.908 5.952 5.710
114 1HD2 ASN 17 1HD2 ASN 17 -3.546 6.966 7.491
115 2HD2 ASN 17 2HD2 ASN 17 -4.881 6.499 8.484
116 H TRP 18 H TRP 18 -3.302 5.848 2.134
117 HA TRP 18 HA TRP 18 -1.878 6.990 0.813
118 1HB TRP 18 2HB TRP 18 -3.215 9.283 2.242
119 2HB TRP 18 1HB TRP 18 -1.995 9.534 0.988
120 HD1 TRP 18 HD TRP 18 -5.620 9.163 1.325
121 HE1 TRP 18 1HE TRP 18 -6.705 8.554 -0.924
122 HE3 TRP 18 3HE TRP 18 -1.432 7.839 -1.215
123 HZ2 TRP 18 2HZ TRP 18 -5.869 7.613 -3.454
124 HZ3 TRP 18 3HZ TRP 18 -1.643 7.079 -3.547
125 HH2 TRP 18 HH TRP 18 -3.820 6.954 -4.630
126 H GLY 19 H GLY 19 -1.699 8.599 4.025
127 1HA GLY 19 2HA GLY 19 1.082 8.997 3.868
128 2HA GLY 19 1HA GLY 19 0.152 8.919 5.370
129 H GLU 20 H GLU 20 -0.850 6.216 4.587
130 HA GLU 20 HA GLU 20 1.273 4.670 5.756
131 1HB GLU 20 2HB GLU 20 -1.556 4.176 4.930
132 2HB GLU 20 1HB GLU 20 -0.486 2.789 5.071
133 1HG GLU 20 2HG GLU 20 -1.586 2.999 7.139
134 2HG GLU 20 1HG GLU 20 0.060 3.566 7.389
135 H ALA 21 H ALA 21 -0.340 5.005 2.645
136 HA ALA 21 HA ALA 21 1.099 2.982 1.262
137 1HB ALA 21 1HB ALA 21 -0.148 3.612 -0.519
138 2HB ALA 21 2HB ALA 21 0.154 5.328 -0.246
139 3HB ALA 21 3HB ALA 21 -1.072 4.491 0.702
140 H PHE 22 H PHE 22 1.526 6.427 1.772
141 HA PHE 22 HA PHE 22 3.636 6.902 -0.008
142 1HB PHE 22 2HB PHE 22 2.437 8.712 1.069
143 2HB PHE 22 1HB PHE 22 2.957 8.158 2.660
144 HD1 PHE 22 1HD PHE 22 4.429 9.214 -0.598
145 HD2 PHE 22 2HD PHE 22 4.727 9.193 3.630
146 HE1 PHE 22 1HE PHE 22 6.371 10.718 -0.739
147 HE2 PHE 22 2HE PHE 22 6.673 10.699 3.507
148 HZ PHE 22 HZ PHE 22 7.493 11.459 1.319
149 H SER 23 H SER 23 3.476 5.675 3.249
150 HA SER 23 HA SER 23 6.300 5.579 3.722
151 1HB SER 23 2HB SER 23 4.329 5.439 5.441
152 2HB SER 23 1HB SER 23 4.336 3.720 5.052
153 HG SER 23 HG SER 23 6.101 3.488 6.173
154 H ALA 24 H ALA 24 3.949 3.533 2.193
155 HA ALA 24 HA ALA 24 5.553 1.164 2.050
156 1HB ALA 24 1HB ALA 24 3.352 1.774 0.124
157 2HB ALA 24 2HB ALA 24 2.972 1.449 1.815
158 3HB ALA 24 3HB ALA 24 3.805 0.230 0.849
159 H GLY 25 H GLY 25 4.714 3.791 -0.164
160 1HA GLY 25 2HA GLY 25 6.192 2.874 -2.381
161 2HA GLY 25 1HA GLY 25 5.709 4.541 -2.095
162 H VAL 26 H VAL 26 7.062 5.122 0.258
163 HA VAL 26 HA VAL 26 9.642 5.759 -0.694
164 HB VAL 26 HB VAL 26 8.702 5.593 2.184
165 1HG1 VAL 26 1HG1 VAL 26 11.092 5.660 2.135
166 2HG1 VAL 26 2HG1 VAL 26 10.510 7.267 2.571
167 3HG1 VAL 26 3HG1 VAL 26 11.081 6.949 0.932
168 1HG2 VAL 26 1HG2 VAL 26 7.411 7.062 0.597
169 2HG2 VAL 26 2HG2 VAL 26 8.879 8.039 0.460
170 3HG2 VAL 26 3HG2 VAL 26 8.088 7.845 2.028
171 H HIS 27 H HIS 27 8.491 3.075 1.313
172 HA HIS 27 HA HIS 27 11.031 2.073 2.013
173 1HB HIS 27 2HB HIS 27 8.365 0.678 1.667
174 2HB HIS 27 1HB HIS 27 9.793 -0.098 2.345
175 HD1 HIS 27 1HD HIS 27 9.572 3.361 3.371
176 HD2 HIS 27 2HD HIS 27 8.016 -0.260 4.680
177 HE1 HIS 27 1HE HIS 27 8.795 3.773 5.708
178 HE2 HIS 27 2HE HIS 27 7.750 1.608 6.450
179 H ARG 28 H ARG 28 8.922 1.611 -0.744
180 HA ARG 28 HA ARG 28 10.523 -0.361 -2.047
181 1HB ARG 28 2HB ARG 28 8.147 -0.221 -2.481
182 2HB ARG 28 1HB ARG 28 8.306 1.432 -3.048
183 1HG ARG 28 2HG ARG 28 8.044 -0.011 -4.929
184 2HG ARG 28 1HG ARG 28 9.698 0.604 -4.919
185 1HD ARG 28 2HD ARG 28 9.340 -1.910 -3.459
186 2HD ARG 28 1HD ARG 28 8.992 -2.022 -5.185
187 HE ARG 28 HE ARG 28 11.442 -0.658 -4.684
188 1HH1 ARG 28 1HH1 ARG 28 10.008 -3.832 -4.860
189 2HH1 ARG 28 2HH1 ARG 28 11.492 -4.617 -5.281
190 1HH2 ARG 28 1HH2 ARG 28 13.395 -1.687 -5.242
191 2HH2 ARG 28 2HH2 ARG 28 13.416 -3.400 -5.498
192 H LEU 29 H LEU 29 10.065 3.151 -2.507
193 HA LEU 29 HA LEU 29 11.933 3.291 -4.646
194 1HB LEU 29 2HB LEU 29 11.347 5.476 -4.887
195 2HB LEU 29 1HB LEU 29 9.926 4.838 -4.091
196 HG LEU 29 HG LEU 29 11.213 5.660 -1.916
197 1HD1 LEU 29 1HD1 LEU 29 12.398 7.229 -4.179
198 2HD1 LEU 29 2HD1 LEU 29 13.210 6.479 -2.806
199 3HD1 LEU 29 3HD1 LEU 29 12.230 7.925 -2.568
200 1HD2 LEU 29 1HD2 LEU 29 9.011 6.396 -2.496
201 2HD2 LEU 29 2HD2 LEU 29 9.630 7.366 -3.832
202 3HD2 LEU 29 3HD2 LEU 29 9.992 7.824 -2.167
203 H ALA 30 H ALA 30 12.092 4.053 -1.230
204 HA ALA 30 HA ALA 30 14.706 5.175 -1.320
205 1HB ALA 30 1HB ALA 30 14.503 5.445 0.984
206 2HB ALA 30 2HB ALA 30 13.421 4.061 1.144
207 3HB ALA 30 3HB ALA 30 12.842 5.550 0.397
208 H ASN 31 H ASN 31 13.563 1.926 -1.237
209 HA ASN 31 HA ASN 31 15.859 0.833 0.091
210 1HB ASN 31 2HB ASN 31 13.785 -0.395 0.199
211 2HB ASN 31 1HB ASN 31 13.686 -0.482 -1.561
212 1HD2 ASN 31 1HD2 ASN 31 14.808 -1.945 1.272
213 2HD2 ASN 31 2HD2 ASN 31 15.716 -3.223 0.548
214 H GLY 32 H GLY 32 17.545 1.828 -1.105
215 1HA GLY 32 2HA GLY 32 18.667 0.184 -3.102
216 2HA GLY 32 1HA GLY 32 17.957 1.603 -3.860
217 H GLY 33 H GLY 33 18.502 3.575 -2.028
218 1HA GLY 33 2HA GLY 33 21.448 3.678 -2.174
219 2HA GLY 33 1HA GLY 33 20.386 5.074 -2.223
220 H ASN 34 H ASN 34 19.217 2.977 0.092
221 HA ASN 34 HA ASN 34 20.301 4.649 2.209
222 1HB ASN 34 2HB ASN 34 17.842 4.071 2.036
223 2HB ASN 34 1HB ASN 34 18.278 2.424 2.487
224 1HD2 ASN 34 1HD2 ASN 34 16.855 4.907 3.733
225 2HD2 ASN 34 2HD2 ASN 34 17.455 4.901 5.353
226 H GLY 35 H GLY 35 20.115 1.191 1.385
227 1HA GLY 35 2HA GLY 35 22.651 0.468 2.080
228 2HA GLY 35 1HA GLY 35 21.781 0.434 3.605
229 H PHE 36 H PHE 36 22.876 -1.503 1.281
230 HA PHE 36 HA PHE 36 22.526 -3.695 0.808
231 1HB PHE 36 2HB PHE 36 21.093 -3.273 3.246
232 2HB PHE 36 1HB PHE 36 20.156 -4.357 2.234
233 HD1 PHE 36 1HD PHE 36 22.083 -5.975 0.872
234 HD2 PHE 36 2HD PHE 36 22.194 -4.472 4.853
235 HE1 PHE 36 1HE PHE 36 23.567 -7.824 1.526
236 HE2 PHE 36 2HE PHE 36 23.678 -6.320 5.513
237 HZ PHE 36 HZ PHE 36 24.367 -7.998 3.848
238 H TRP 37 H TRP 37 19.948 -5.050 0.602
239 HA TRP 37 HA TRP 37 18.347 -3.484 -1.241
240 1HB TRP 37 2HB TRP 37 20.316 -5.496 -2.139
241 2HB TRP 37 1HB TRP 37 18.702 -5.709 -2.802
242 HD1 TRP 37 HD TRP 37 17.901 -2.697 -3.322
243 HE1 TRP 37 1HE TRP 37 19.105 -1.351 -5.159
244 HE3 TRP 37 3HE TRP 37 22.173 -5.475 -3.694
245 HZ2 TRP 37 2HZ TRP 37 21.545 -1.459 -6.581
246 HZ3 TRP 37 3HZ TRP 37 23.892 -4.791 -5.316
247 HH2 TRP 37 HH TRP 37 23.583 -2.824 -6.729
Start of MODEL 4
1 HA LYS 1 HA LYS 1 -7.237 -5.818 8.214
2 1HB LYS 1 2HB LYS 1 -8.032 -6.567 5.907
3 2HB LYS 1 1HB LYS 1 -9.155 -6.809 7.236
4 1HG LYS 1 2HG LYS 1 -10.081 -4.480 6.486
5 2HG LYS 1 1HG LYS 1 -9.291 -4.891 4.963
6 1HD LYS 1 2HD LYS 1 -11.293 -6.646 6.383
7 2HD LYS 1 1HD LYS 1 -11.680 -5.552 5.054
8 1HE LYS 1 2HE LYS 1 -9.447 -7.218 4.352
9 2HE LYS 1 1HE LYS 1 -10.806 -8.209 4.884
10 1HZ LYS 1 1HZ LYS 1 -12.197 -6.858 3.314
11 2HZ LYS 1 2HZ LYS 1 -11.070 -7.884 2.580
12 3HZ LYS 1 3HZ LYS 1 -10.759 -6.224 2.686
13 H TYR 2 H TYR 2 -5.289 -4.822 7.944
14 HA TYR 2 HA TYR 2 -4.959 -2.723 6.009
15 1HB TYR 2 2HB TYR 2 -3.595 -3.464 8.293
16 2HB TYR 2 1HB TYR 2 -2.483 -3.876 6.987
17 HD1 TYR 2 1HD TYR 2 -4.614 -1.166 8.251
18 HD2 TYR 2 2HD TYR 2 -1.203 -2.206 5.973
19 HE1 TYR 2 1HE TYR 2 -3.997 1.218 8.096
20 HE2 TYR 2 2HE TYR 2 -0.577 0.146 5.779
21 HH TYR 2 HH TYR 2 -2.354 2.560 6.095
22 H TYR 3 H TYR 3 -3.901 -2.828 4.071
23 HA TYR 3 HA TYR 3 -3.486 -5.527 2.987
24 1HB TYR 3 2HB TYR 3 -4.435 -2.944 1.936
25 2HB TYR 3 1HB TYR 3 -3.434 -3.878 0.820
26 HD1 TYR 3 1HD TYR 3 -6.228 -4.423 3.214
27 HD2 TYR 3 2HD TYR 3 -4.567 -5.308 -0.584
28 HE1 TYR 3 1HE TYR 3 -8.152 -5.886 2.734
29 HE2 TYR 3 2HE TYR 3 -6.487 -6.776 -1.090
30 HH TYR 3 HH TYR 3 -9.306 -6.845 0.893
31 H GLY 4 H GLY 4 -1.494 -4.212 4.671
32 1HA GLY 4 2HA GLY 4 0.728 -3.594 4.704
33 2HA GLY 4 1HA GLY 4 0.879 -4.890 3.524
34 H ASN 5 H ASN 5 -1.033 -2.123 2.732
35 HA ASN 5 HA ASN 5 1.121 -0.769 1.322
36 1HB ASN 5 2HB ASN 5 -1.092 -2.300 0.027
37 2HB ASN 5 1HB ASN 5 -0.646 -0.755 -0.692
38 1HD2 ASN 5 1HD2 ASN 5 0.103 -4.042 -0.418
39 2HD2 ASN 5 2HD2 ASN 5 1.603 -4.024 -1.276
40 H GLY 6 H GLY 6 -0.394 -0.069 3.592
41 1HA GLY 6 2HA GLY 6 -1.727 1.600 4.435
42 2HA GLY 6 1HA GLY 6 -1.215 2.514 3.026
43 H VAL 7 H VAL 7 -3.211 -0.421 3.302
44 HA VAL 7 HA VAL 7 -5.519 1.088 2.324
45 HB VAL 7 HB VAL 7 -4.416 -1.347 0.929
46 1HG1 VAL 7 1HG1 VAL 7 -6.695 -1.804 1.045
47 2HG1 VAL 7 2HG1 VAL 7 -6.529 -0.959 -0.496
48 3HG1 VAL 7 3HG1 VAL 7 -7.131 -0.098 0.925
49 1HG2 VAL 7 1HG2 VAL 7 -4.075 -0.020 -0.884
50 2HG2 VAL 7 2HG2 VAL 7 -3.805 1.166 0.395
51 3HG2 VAL 7 3HG2 VAL 7 -5.359 1.102 -0.434
52 H HIS 8 H HIS 8 -6.922 0.753 3.897
53 HA HIS 8 HA HIS 8 -7.271 -1.982 4.887
54 1HB HIS 8 2HB HIS 8 -8.714 -0.082 6.482
55 2HB HIS 8 1HB HIS 8 -7.411 -1.158 6.969
56 HD1 HIS 8 1HD HIS 8 -7.996 1.933 7.785
57 HD2 HIS 8 2HD HIS 8 -4.998 0.443 5.327
58 HE1 HIS 8 1HE HIS 8 -6.182 3.663 7.827
59 HE2 HIS 8 2HE HIS 8 -4.403 2.777 6.276
60 H CYS 9 H CYS 9 -9.452 -2.773 5.082
61 HA CYS 9 HA CYS 9 -11.334 -1.244 3.431
62 1HB CYS 9 2HB CYS 9 -10.318 -3.782 2.902
63 2HB CYS 9 1HB CYS 9 -11.953 -4.061 3.487
64 H THR 10 H THR 10 -11.966 -0.252 5.378
65 HA THR 10 HA THR 10 -13.371 -1.928 7.305
66 HB THR 10 HB THR 10 -13.086 -0.259 8.833
67 HG1 THR 10 1HG THR 10 -13.257 1.677 6.773
68 1HG2 THR 10 1HG2 THR 10 -11.112 0.792 6.820
69 2HG2 THR 10 2HG2 THR 10 -10.817 -0.568 7.905
70 3HG2 THR 10 3HG2 THR 10 -11.087 1.046 8.564
71 H LYS 11 H LYS 11 -15.473 -2.009 7.581
72 HA LYS 11 HA LYS 11 -17.695 -1.551 7.452
73 1HB LYS 11 2HB LYS 11 -16.800 0.824 5.820
74 2HB LYS 11 1HB LYS 11 -18.489 0.425 6.070
75 1HG LYS 11 2HG LYS 11 -16.790 0.601 8.466
76 2HG LYS 11 1HG LYS 11 -17.139 2.100 7.607
77 1HD LYS 11 2HD LYS 11 -19.404 0.259 8.135
78 2HD LYS 11 1HD LYS 11 -18.741 1.147 9.510
79 1HE LYS 11 2HE LYS 11 -18.923 3.179 7.834
80 2HE LYS 11 1HE LYS 11 -20.149 2.154 7.088
81 1HZ LYS 11 1HZ LYS 11 -20.133 2.910 9.957
82 2HZ LYS 11 2HZ LYS 11 -21.358 2.087 9.131
83 3HZ LYS 11 3HZ LYS 11 -21.038 3.708 8.769
84 H SER 12 H SER 12 -17.087 -0.309 4.261
85 HA SER 12 HA SER 12 -17.628 -2.888 3.019
86 1HB SER 12 2HB SER 12 -19.455 -1.705 1.594
87 2HB SER 12 1HB SER 12 -19.875 -2.295 3.202
88 HG SER 12 HG SER 12 -19.689 0.291 2.252
89 H GLY 13 H GLY 13 -15.533 -0.687 3.094
90 1HA GLY 13 2HA GLY 13 -14.961 -0.779 0.259
91 2HA GLY 13 1HA GLY 13 -15.251 0.835 0.891
92 H CYS 14 H CYS 14 -12.806 0.011 -0.257
93 HA CYS 14 HA CYS 14 -11.055 -0.372 2.025
94 1HB CYS 14 2HB CYS 14 -10.601 -0.496 -0.927
95 2HB CYS 14 1HB CYS 14 -9.260 -0.365 0.200
96 H SER 15 H SER 15 -9.830 1.067 2.899
97 HA SER 15 HA SER 15 -9.895 3.795 1.783
98 1HB SER 15 2HB SER 15 -9.517 2.929 4.663
99 2HB SER 15 1HB SER 15 -9.586 4.594 4.085
100 HG SER 15 HG SER 15 -11.682 2.714 3.750
101 H VAL 16 H VAL 16 -7.925 5.056 2.924
102 HA VAL 16 HA VAL 16 -5.519 3.437 2.876
103 HB VAL 16 HB VAL 16 -5.852 5.805 1.041
104 1HG1 VAL 16 1HG1 VAL 16 -3.519 4.298 0.487
105 2HG1 VAL 16 2HG1 VAL 16 -3.538 4.617 2.219
106 3HG1 VAL 16 3HG1 VAL 16 -3.628 5.956 1.079
107 1HG2 VAL 16 1HG2 VAL 16 -5.938 2.875 0.635
108 2HG2 VAL 16 2HG2 VAL 16 -5.141 3.865 -0.594
109 3HG2 VAL 16 3HG2 VAL 16 -6.836 4.158 -0.188
110 H ASN 17 H ASN 17 -3.941 4.210 4.168
111 HA ASN 17 HA ASN 17 -4.503 6.734 5.567
112 1HB ASN 17 2HB ASN 17 -4.256 4.623 6.913
113 2HB ASN 17 1HB ASN 17 -2.580 4.543 6.373
114 1HD2 ASN 17 1HD2 ASN 17 -2.314 4.580 8.767
115 2HD2 ASN 17 2HD2 ASN 17 -2.161 6.124 9.527
116 H TRP 18 H TRP 18 -3.401 6.399 2.915
117 HA TRP 18 HA TRP 18 -1.424 6.636 1.681
118 1HB TRP 18 2HB TRP 18 -2.499 9.232 2.732
119 2HB TRP 18 1HB TRP 18 -1.176 9.201 1.562
120 HD1 TRP 18 HD TRP 18 -4.797 9.430 1.579
121 HE1 TRP 18 1HE TRP 18 -5.821 8.653 -0.643
122 HE3 TRP 18 3HE TRP 18 -0.738 7.067 -0.389
123 HZ2 TRP 18 2HZ TRP 18 -5.019 7.206 -2.925
124 HZ3 TRP 18 3HZ TRP 18 -0.945 5.999 -2.593
125 HH2 TRP 18 HH TRP 18 -3.046 6.066 -3.827
126 H GLY 19 H GLY 19 -0.899 8.748 4.547
127 1HA GLY 19 2HA GLY 19 1.831 8.944 4.338
128 2HA GLY 19 1HA GLY 19 0.990 8.872 5.887
129 H GLU 20 H GLU 20 -0.059 6.194 5.425
130 HA GLU 20 HA GLU 20 2.192 4.677 6.364
131 1HB GLU 20 2HB GLU 20 -0.675 4.349 6.272
132 2HB GLU 20 1HB GLU 20 0.109 2.894 5.664
133 1HG GLU 20 2HG GLU 20 1.187 4.041 8.161
134 2HG GLU 20 1HG GLU 20 -0.413 3.308 8.242
135 H ALA 21 H ALA 21 0.209 4.764 3.435
136 HA ALA 21 HA ALA 21 1.597 2.705 2.044
137 1HB ALA 21 1HB ALA 21 0.213 4.954 0.669
138 2HB ALA 21 2HB ALA 21 -0.728 3.818 1.634
139 3HB ALA 21 3HB ALA 21 0.224 3.236 0.267
140 H PHE 22 H PHE 22 1.929 6.165 2.362
141 HA PHE 22 HA PHE 22 3.696 6.725 0.271
142 1HB PHE 22 2HB PHE 22 2.544 8.414 1.710
143 2HB PHE 22 1HB PHE 22 3.620 7.973 3.033
144 HD1 PHE 22 1HD PHE 22 6.105 8.350 2.734
145 HD2 PHE 22 2HD PHE 22 3.180 9.980 0.105
146 HE1 PHE 22 1HE PHE 22 7.748 9.996 1.933
147 HE2 PHE 22 2HE PHE 22 4.817 11.630 -0.697
148 HZ PHE 22 HZ PHE 22 7.106 11.638 0.214
149 H SER 23 H SER 23 4.151 5.508 3.512
150 HA SER 23 HA SER 23 7.016 5.549 3.475
151 1HB SER 23 2HB SER 23 5.348 3.657 5.138
152 2HB SER 23 1HB SER 23 6.915 4.366 5.528
153 HG SER 23 HG SER 23 5.121 5.356 6.624
154 H ALA 24 H ALA 24 4.528 3.338 2.460
155 HA ALA 24 HA ALA 24 6.218 1.065 2.049
156 1HB ALA 24 1HB ALA 24 4.324 0.003 1.264
157 2HB ALA 24 2HB ALA 24 3.675 1.478 0.545
158 3HB ALA 24 3HB ALA 24 3.614 1.248 2.294
159 H GLY 25 H GLY 25 4.844 3.576 -0.017
160 1HA GLY 25 2HA GLY 25 5.938 2.618 -2.447
161 2HA GLY 25 1HA GLY 25 5.316 4.236 -2.164
162 H VAL 26 H VAL 26 7.106 4.963 -0.061
163 HA VAL 26 HA VAL 26 9.270 5.920 -1.606
164 HB VAL 26 HB VAL 26 8.969 5.791 1.409
165 1HG1 VAL 26 1HG1 VAL 26 11.299 6.005 0.877
166 2HG1 VAL 26 2HG1 VAL 26 10.702 7.581 1.395
167 3HG1 VAL 26 3HG1 VAL 26 10.957 7.253 -0.321
168 1HG2 VAL 26 1HG2 VAL 26 8.063 7.919 1.331
169 2HG2 VAL 26 2HG2 VAL 26 7.340 7.150 -0.083
170 3HG2 VAL 26 3HG2 VAL 26 8.705 8.247 -0.280
171 H HIS 27 H HIS 27 8.993 3.202 0.653
172 HA HIS 27 HA HIS 27 11.723 2.558 0.765
173 1HB HIS 27 2HB HIS 27 9.331 0.705 0.936
174 2HB HIS 27 1HB HIS 27 10.969 0.298 1.425
175 HD1 HIS 27 1HD HIS 27 10.456 3.663 2.411
176 HD2 HIS 27 2HD HIS 27 9.302 -0.028 3.921
177 HE1 HIS 27 1HE HIS 27 9.862 4.073 4.805
178 HE2 HIS 27 2HE HIS 27 9.060 1.854 5.677
179 H ARG 28 H ARG 28 9.149 1.413 -1.401
180 HA ARG 28 HA ARG 28 10.844 -0.227 -2.980
181 1HB ARG 28 2HB ARG 28 8.118 0.962 -3.486
182 2HB ARG 28 1HB ARG 28 8.919 -0.116 -4.621
183 1HG ARG 28 2HG ARG 28 9.097 -1.571 -2.355
184 2HG ARG 28 1HG ARG 28 7.591 -0.697 -2.068
185 1HD ARG 28 2HD ARG 28 6.630 -2.319 -3.276
186 2HD ARG 28 1HD ARG 28 7.317 -1.491 -4.673
187 HE ARG 28 HE ARG 28 8.673 -3.290 -4.978
188 1HH1 ARG 28 1HH1 ARG 28 7.688 -3.242 -1.628
189 2HH1 ARG 28 2HH1 ARG 28 8.489 -4.727 -1.243
190 1HH2 ARG 28 1HH2 ARG 28 9.725 -5.245 -4.470
191 2HH2 ARG 28 2HH2 ARG 28 9.645 -5.864 -2.853
192 H LEU 29 H LEU 29 9.634 3.087 -3.363
193 HA LEU 29 HA LEU 29 10.759 3.521 -5.931
194 1HB LEU 29 2HB LEU 29 9.863 5.449 -3.808
195 2HB LEU 29 1HB LEU 29 10.327 5.918 -5.433
196 HG LEU 29 HG LEU 29 7.947 4.302 -4.590
197 1HD1 LEU 29 1HD1 LEU 29 7.521 6.607 -4.442
198 2HD1 LEU 29 2HD1 LEU 29 6.822 6.095 -5.978
199 3HD1 LEU 29 3HD1 LEU 29 8.371 6.939 -5.949
200 1HD2 LEU 29 1HD2 LEU 29 9.103 4.691 -7.333
201 2HD2 LEU 29 2HD2 LEU 29 7.463 4.118 -7.023
202 3HD2 LEU 29 3HD2 LEU 29 8.851 3.170 -6.479
203 H ALA 30 H ALA 30 11.590 4.760 -2.791
204 HA ALA 30 HA ALA 30 13.950 6.079 -3.536
205 1HB ALA 30 1HB ALA 30 12.529 6.414 -1.472
206 2HB ALA 30 2HB ALA 30 14.278 6.490 -1.248
207 3HB ALA 30 3HB ALA 30 13.388 5.040 -0.780
208 H ASN 31 H ASN 31 13.451 2.712 -3.073
209 HA ASN 31 HA ASN 31 16.203 2.205 -2.321
210 1HB ASN 31 2HB ASN 31 14.326 0.765 -1.506
211 2HB ASN 31 1HB ASN 31 14.120 0.179 -3.158
212 1HD2 ASN 31 1HD2 ASN 31 15.422 -1.402 -3.886
213 2HD2 ASN 31 2HD2 ASN 31 16.712 -2.107 -2.977
214 H GLY 32 H GLY 32 14.202 2.031 -5.205
215 1HA GLY 32 2HA GLY 32 14.721 1.613 -7.411
216 2HA GLY 32 1HA GLY 32 16.192 2.493 -7.038
217 H GLY 33 H GLY 33 14.791 -0.605 -7.663
218 1HA GLY 33 2HA GLY 33 16.042 -2.376 -8.599
219 2HA GLY 33 1HA GLY 33 17.485 -1.730 -7.830
220 H ASN 34 H ASN 34 16.367 -4.435 -7.805
221 HA ASN 34 HA ASN 34 15.407 -4.861 -5.112
222 1HB ASN 34 2HB ASN 34 15.756 -6.493 -7.545
223 2HB ASN 34 1HB ASN 34 16.048 -7.355 -6.038
224 1HD2 ASN 34 1HD2 ASN 34 14.302 -8.563 -5.775
225 2HD2 ASN 34 2HD2 ASN 34 12.673 -7.989 -5.768
226 H GLY 35 H GLY 35 17.394 -3.707 -4.296
227 1HA GLY 35 2HA GLY 35 19.894 -5.136 -4.386
228 2HA GLY 35 1HA GLY 35 19.545 -3.693 -3.449
229 H PHE 36 H PHE 36 17.284 -4.757 -2.036
230 HA PHE 36 HA PHE 36 16.709 -6.069 -0.248
231 1HB PHE 36 2HB PHE 36 18.120 -7.851 -1.709
232 2HB PHE 36 1HB PHE 36 19.160 -7.741 -0.294
233 HD1 PHE 36 1HD PHE 36 17.841 -7.870 2.008
234 HD2 PHE 36 2HD PHE 36 16.471 -9.441 -1.701
235 HE1 PHE 36 1HE PHE 36 16.372 -9.430 3.216
236 HE2 PHE 36 2HE PHE 36 14.998 -11.004 -0.500
237 HZ PHE 36 HZ PHE 36 14.947 -10.999 1.963
238 H TRP 37 H TRP 37 16.871 -4.929 1.560
239 HA TRP 37 HA TRP 37 19.276 -4.964 3.119
240 1HB TRP 37 2HB TRP 37 18.782 -2.689 1.406
241 2HB TRP 37 1HB TRP 37 18.739 -2.200 3.095
242 HD1 TRP 37 HD TRP 37 21.112 -3.741 0.494
243 HE1 TRP 37 1HE TRP 37 23.531 -3.414 1.308
244 HE3 TRP 37 3HE TRP 37 20.160 -1.826 5.143
245 HZ2 TRP 37 2HZ TRP 37 24.862 -2.473 3.611
246 HZ3 TRP 37 3HZ TRP 37 22.065 -1.239 6.587
247 HH2 TRP 37 HH TRP 37 24.366 -1.557 5.836
Start of MODEL 5
1 HA LYS 1 HA LYS 1 -7.329 -5.557 7.696
2 1HB LYS 1 2HB LYS 1 -9.000 -6.545 6.427
3 2HB LYS 1 1HB LYS 1 -9.397 -5.045 5.599
4 1HG LYS 1 2HG LYS 1 -7.737 -5.297 4.038
5 2HG LYS 1 1HG LYS 1 -6.761 -6.328 5.085
6 1HD LYS 1 2HD LYS 1 -9.423 -7.203 3.986
7 2HD LYS 1 1HD LYS 1 -7.910 -7.459 3.114
8 1HE LYS 1 2HE LYS 1 -7.153 -9.015 4.607
9 2HE LYS 1 1HE LYS 1 -8.052 -8.317 5.954
10 1HZ LYS 1 1HZ LYS 1 -8.759 -10.565 4.741
11 2HZ LYS 1 2HZ LYS 1 -9.645 -9.466 3.809
12 3HZ LYS 1 3HZ LYS 1 -9.873 -9.532 5.484
13 H TYR 2 H TYR 2 -5.373 -4.423 7.749
14 HA TYR 2 HA TYR 2 -4.859 -2.365 5.813
15 1HB TYR 2 2HB TYR 2 -3.811 -2.965 8.283
16 2HB TYR 2 1HB TYR 2 -2.511 -3.419 7.179
17 HD1 TYR 2 1HD TYR 2 -4.872 -0.722 7.946
18 HD2 TYR 2 2HD TYR 2 -1.117 -1.757 6.296
19 HE1 TYR 2 1HE TYR 2 -4.320 1.663 7.731
20 HE2 TYR 2 2HE TYR 2 -0.553 0.616 6.049
21 HH TYR 2 HH TYR 2 -2.321 3.090 7.564
22 H TYR 3 H TYR 3 -3.613 -2.501 4.008
23 HA TYR 3 HA TYR 3 -2.914 -5.225 3.121
24 1HB TYR 3 2HB TYR 3 -3.898 -2.775 1.758
25 2HB TYR 3 1HB TYR 3 -2.789 -3.798 0.843
26 HD1 TYR 3 1HD TYR 3 -6.169 -3.340 1.948
27 HD2 TYR 3 2HD TYR 3 -3.391 -6.262 0.587
28 HE1 TYR 3 1HE TYR 3 -8.032 -4.849 1.399
29 HE2 TYR 3 2HE TYR 3 -5.246 -7.780 0.035
30 HH TYR 3 HH TYR 3 -8.343 -6.853 -0.304
31 H GLY 4 H GLY 4 -1.197 -3.753 4.888
32 1HA GLY 4 2HA GLY 4 0.953 -2.925 5.092
33 2HA GLY 4 1HA GLY 4 1.307 -4.229 3.967
34 H ASN 5 H ASN 5 -0.722 -1.608 2.968
35 HA ASN 5 HA ASN 5 1.458 -0.166 1.680
36 1HB ASN 5 2HB ASN 5 -0.452 -1.936 0.299
37 2HB ASN 5 1HB ASN 5 -0.342 -0.320 -0.390
38 1HD2 ASN 5 1HD2 ASN 5 0.895 -0.434 -2.113
39 2HD2 ASN 5 2HD2 ASN 5 2.428 -1.224 -2.212
40 H GLY 6 H GLY 6 -0.402 0.426 3.831
41 1HA GLY 6 2HA GLY 6 -1.788 2.128 4.515
42 2HA GLY 6 1HA GLY 6 -1.205 3.006 3.113
43 H VAL 7 H VAL 7 -3.138 0.048 3.417
44 HA VAL 7 HA VAL 7 -5.461 1.389 2.280
45 HB VAL 7 HB VAL 7 -3.980 -0.780 0.832
46 1HG1 VAL 7 1HG1 VAL 7 -6.188 -0.712 -0.581
47 2HG1 VAL 7 2HG1 VAL 7 -6.889 -0.205 0.958
48 3HG1 VAL 7 3HG1 VAL 7 -6.063 -1.760 0.835
49 1HG2 VAL 7 1HG2 VAL 7 -5.262 1.096 -0.842
50 2HG2 VAL 7 2HG2 VAL 7 -3.531 0.913 -0.547
51 3HG2 VAL 7 3HG2 VAL 7 -4.491 2.005 0.454
52 H HIS 8 H HIS 8 -6.937 0.902 3.703
53 HA HIS 8 HA HIS 8 -7.202 -1.898 4.536
54 1HB HIS 8 2HB HIS 8 -8.563 -0.442 6.454
55 2HB HIS 8 1HB HIS 8 -6.966 -1.155 6.645
56 HD1 HIS 8 1HD HIS 8 -8.467 1.822 7.443
57 HD2 HIS 8 2HD HIS 8 -5.065 0.901 5.246
58 HE1 HIS 8 1HE HIS 8 -7.076 3.918 7.466
59 HE2 HIS 8 2HE HIS 8 -4.954 3.288 6.257
60 H CYS 9 H CYS 9 -9.308 -2.698 4.772
61 HA CYS 9 HA CYS 9 -11.376 -1.032 3.543
62 1HB CYS 9 2HB CYS 9 -11.220 -3.997 3.096
63 2HB CYS 9 1HB CYS 9 -12.176 -2.803 2.229
64 H THR 10 H THR 10 -12.270 -0.497 5.466
65 HA THR 10 HA THR 10 -13.060 -2.641 7.283
66 HB THR 10 HB THR 10 -13.239 -1.059 8.968
67 HG1 THR 10 1HG THR 10 -13.717 0.821 6.915
68 1HG2 THR 10 1HG2 THR 10 -11.384 0.457 8.899
69 2HG2 THR 10 2HG2 THR 10 -11.281 0.310 7.144
70 3HG2 THR 10 3HG2 THR 10 -10.910 -1.077 8.170
71 H LYS 11 H LYS 11 -14.925 -3.532 7.153
72 HA LYS 11 HA LYS 11 -17.199 -3.735 7.196
73 1HB LYS 11 2HB LYS 11 -17.318 -0.861 6.263
74 2HB LYS 11 1HB LYS 11 -18.699 -1.858 6.670
75 1HG LYS 11 2HG LYS 11 -16.547 -1.470 8.678
76 2HG LYS 11 1HG LYS 11 -17.711 -0.181 8.385
77 1HD LYS 11 2HD LYS 11 -18.671 -2.971 8.846
78 2HD LYS 11 1HD LYS 11 -18.182 -1.980 10.221
79 1HE LYS 11 2HE LYS 11 -20.505 -1.650 9.990
80 2HE LYS 11 1HE LYS 11 -19.747 -0.204 9.323
81 1HZ LYS 11 1HZ LYS 11 -21.641 -1.358 8.030
82 2HZ LYS 11 2HZ LYS 11 -20.440 -2.447 7.547
83 3HZ LYS 11 3HZ LYS 11 -20.286 -0.803 7.181
84 H SER 12 H SER 12 -17.107 -1.462 4.515
85 HA SER 12 HA SER 12 -17.061 -3.628 2.575
86 1HB SER 12 2HB SER 12 -19.187 -2.883 1.515
87 2HB SER 12 1HB SER 12 -19.418 -3.550 3.131
88 HG SER 12 HG SER 12 -19.321 -1.282 3.848
89 H GLY 13 H GLY 13 -15.350 -1.358 3.184
90 1HA GLY 13 2HA GLY 13 -15.119 -0.323 0.496
91 2HA GLY 13 1HA GLY 13 -15.542 0.893 1.694
92 H CYS 14 H CYS 14 -13.077 0.424 0.023
93 HA CYS 14 HA CYS 14 -11.111 -0.005 2.134
94 1HB CYS 14 2HB CYS 14 -10.666 0.295 -0.824
95 2HB CYS 14 1HB CYS 14 -9.456 -0.127 0.383
96 H SER 15 H SER 15 -9.718 1.428 2.832
97 HA SER 15 HA SER 15 -9.888 4.175 1.761
98 1HB SER 15 2HB SER 15 -9.462 4.917 4.169
99 2HB SER 15 1HB SER 15 -11.069 4.277 3.827
100 HG SER 15 HG SER 15 -8.951 2.703 4.860
101 H VAL 16 H VAL 16 -7.937 5.511 2.606
102 HA VAL 16 HA VAL 16 -5.540 3.826 2.764
103 HB VAL 16 HB VAL 16 -5.770 6.211 0.924
104 1HG1 VAL 16 1HG1 VAL 16 -3.520 5.085 2.103
105 2HG1 VAL 16 2HG1 VAL 16 -3.555 6.151 0.699
106 3HG1 VAL 16 3HG1 VAL 16 -3.557 4.402 0.480
107 1HG2 VAL 16 1HG2 VAL 16 -5.181 4.189 -0.702
108 2HG2 VAL 16 2HG2 VAL 16 -6.837 4.703 -0.360
109 3HG2 VAL 16 3HG2 VAL 16 -6.139 3.323 0.505
110 H ASN 17 H ASN 17 -3.974 4.557 4.086
111 HA ASN 17 HA ASN 17 -4.474 7.092 5.480
112 1HB ASN 17 2HB ASN 17 -4.239 5.100 6.908
113 2HB ASN 17 1HB ASN 17 -2.652 4.784 6.210
114 1HD2 ASN 17 1HD2 ASN 17 -1.581 4.943 8.151
115 2HD2 ASN 17 2HD2 ASN 17 -1.369 6.442 8.985
116 H TRP 18 H TRP 18 -3.404 6.770 2.804
117 HA TRP 18 HA TRP 18 -1.465 7.040 1.543
118 1HB TRP 18 2HB TRP 18 -2.432 9.626 2.725
119 2HB TRP 18 1HB TRP 18 -1.188 9.585 1.470
120 HD1 TRP 18 HD TRP 18 -4.836 9.776 1.773
121 HE1 TRP 18 1HE TRP 18 -5.992 9.097 -0.417
122 HE3 TRP 18 3HE TRP 18 -0.870 7.621 -0.582
123 HZ2 TRP 18 2HZ TRP 18 -5.306 7.804 -2.828
124 HZ3 TRP 18 3HZ TRP 18 -1.198 6.674 -2.828
125 HH2 TRP 18 HH TRP 18 -3.378 6.754 -3.915
126 H GLY 19 H GLY 19 -0.780 9.142 4.388
127 1HA GLY 19 2HA GLY 19 1.947 9.193 4.117
128 2HA GLY 19 1HA GLY 19 1.144 9.196 5.686
129 H GLU 20 H GLU 20 -0.037 6.538 5.244
130 HA GLU 20 HA GLU 20 2.170 4.948 6.182
131 1HB GLU 20 2HB GLU 20 -0.671 4.778 6.282
132 2HB GLU 20 1HB GLU 20 -0.089 3.314 5.497
133 1HG GLU 20 2HG GLU 20 1.128 4.273 8.054
134 2HG GLU 20 1HG GLU 20 -0.364 3.334 8.049
135 H ALA 21 H ALA 21 0.149 5.088 3.286
136 HA ALA 21 HA ALA 21 1.430 2.951 1.903
137 1HB ALA 21 1HB ALA 21 0.121 3.604 0.060
138 2HB ALA 21 2HB ALA 21 0.009 5.269 0.636
139 3HB ALA 21 3HB ALA 21 -0.866 3.986 1.472
140 H PHE 22 H PHE 22 1.885 6.406 2.156
141 HA PHE 22 HA PHE 22 3.668 6.842 0.041
142 1HB PHE 22 2HB PHE 22 2.553 8.597 1.479
143 2HB PHE 22 1HB PHE 22 3.686 8.184 2.759
144 HD1 PHE 22 1HD PHE 22 3.126 10.123 -0.188
145 HD2 PHE 22 2HD PHE 22 6.155 8.489 2.312
146 HE1 PHE 22 1HE PHE 22 4.747 11.725 -1.116
147 HE2 PHE 22 2HE PHE 22 7.785 10.089 1.389
148 HZ PHE 22 HZ PHE 22 7.081 11.710 -0.326
149 H SER 23 H SER 23 4.039 5.707 3.315
150 HA SER 23 HA SER 23 6.890 5.624 3.360
151 1HB SER 23 2HB SER 23 5.768 5.622 5.471
152 2HB SER 23 1HB SER 23 4.771 4.240 5.016
153 HG SER 23 HG SER 23 7.074 4.195 6.269
154 H ALA 24 H ALA 24 4.365 3.488 2.283
155 HA ALA 24 HA ALA 24 6.011 1.161 2.000
156 1HB ALA 24 1HB ALA 24 3.486 1.546 0.457
157 2HB ALA 24 2HB ALA 24 3.410 1.391 2.213
158 3HB ALA 24 3HB ALA 24 4.112 0.095 1.242
159 H GLY 25 H GLY 25 4.657 3.551 -0.256
160 1HA GLY 25 2HA GLY 25 5.861 2.450 -2.572
161 2HA GLY 25 1HA GLY 25 5.216 4.075 -2.426
162 H VAL 26 H VAL 26 6.963 4.853 -0.226
163 HA VAL 26 HA VAL 26 9.170 5.787 -1.746
164 HB VAL 26 HB VAL 26 8.757 5.765 1.253
165 1HG1 VAL 26 1HG1 VAL 26 10.528 7.619 1.118
166 2HG1 VAL 26 2HG1 VAL 26 10.933 6.927 -0.453
167 3HG1 VAL 26 3HG1 VAL 26 11.076 5.946 1.007
168 1HG2 VAL 26 1HG2 VAL 26 7.311 7.150 -0.484
169 2HG2 VAL 26 2HG2 VAL 26 8.702 8.231 -0.397
170 3HG2 VAL 26 3HG2 VAL 26 7.807 7.825 1.067
171 H HIS 27 H HIS 27 8.782 3.161 0.596
172 HA HIS 27 HA HIS 27 11.513 2.468 0.765
173 1HB HIS 27 2HB HIS 27 9.061 0.713 1.084
174 2HB HIS 27 1HB HIS 27 10.692 0.273 1.572
175 HD1 HIS 27 1HD HIS 27 10.309 3.711 2.350
176 HD2 HIS 27 2HD HIS 27 9.077 0.160 4.114
177 HE1 HIS 27 1HE HIS 27 9.788 4.286 4.728
178 HE2 HIS 27 2HE HIS 27 9.155 2.107 5.813
179 H ARG 28 H ARG 28 8.871 1.084 -1.169
180 HA ARG 28 HA ARG 28 10.469 -0.651 -2.705
181 1HB ARG 28 2HB ARG 28 8.115 -1.029 -2.596
182 2HB ARG 28 1HB ARG 28 7.758 0.596 -3.158
183 1HG ARG 28 2HG ARG 28 7.307 -0.830 -4.964
184 2HG ARG 28 1HG ARG 28 8.847 -0.058 -5.342
185 1HD ARG 28 2HD ARG 28 8.895 -2.649 -3.886
186 2HD ARG 28 1HD ARG 28 8.489 -2.671 -5.601
187 HE ARG 28 HE ARG 28 11.058 -2.078 -4.420
188 1HH1 ARG 28 1HH1 ARG 28 9.051 -1.839 -7.267
189 2HH1 ARG 28 2HH1 ARG 28 10.391 -1.653 -8.347
190 1HH2 ARG 28 1HH2 ARG 28 12.819 -1.832 -5.840
191 2HH2 ARG 28 2HH2 ARG 28 12.530 -1.649 -7.538
192 H LEU 29 H LEU 29 9.524 2.709 -3.117
193 HA LEU 29 HA LEU 29 10.496 3.000 -5.778
194 1HB LEU 29 2HB LEU 29 8.800 4.480 -4.955
195 2HB LEU 29 1HB LEU 29 9.810 4.974 -3.613
196 HG LEU 29 HG LEU 29 9.549 6.626 -5.500
197 1HD1 LEU 29 1HD1 LEU 29 11.510 6.344 -3.755
198 2HD1 LEU 29 2HD1 LEU 29 11.548 7.574 -5.020
199 3HD1 LEU 29 3HD1 LEU 29 12.440 6.065 -5.228
200 1HD2 LEU 29 1HD2 LEU 29 10.636 6.334 -7.539
201 2HD2 LEU 29 2HD2 LEU 29 9.868 4.773 -7.246
202 3HD2 LEU 29 3HD2 LEU 29 11.593 4.980 -6.939
203 H ALA 30 H ALA 30 11.625 4.346 -2.744
204 HA ALA 30 HA ALA 30 14.097 5.268 -3.691
205 1HB ALA 30 1HB ALA 30 13.706 4.647 -0.814
206 2HB ALA 30 2HB ALA 30 12.654 5.839 -1.578
207 3HB ALA 30 3HB ALA 30 14.405 6.076 -1.579
208 H ASN 31 H ASN 31 13.177 2.097 -2.553
209 HA ASN 31 HA ASN 31 15.890 1.349 -1.907
210 1HB ASN 31 2HB ASN 31 13.818 0.337 -0.824
211 2HB ASN 31 1HB ASN 31 13.585 -0.558 -2.325
212 1HD2 ASN 31 1HD2 ASN 31 15.356 -1.959 -3.009
213 2HD2 ASN 31 2HD2 ASN 31 16.323 -2.727 -1.801
214 H GLY 32 H GLY 32 16.594 2.165 -4.090
215 1HA GLY 32 2HA GLY 32 15.967 0.846 -6.477
216 2HA GLY 32 1HA GLY 32 17.466 1.708 -6.162
217 H GLY 33 H GLY 33 18.456 0.139 -4.059
218 1HA GLY 33 2HA GLY 33 18.986 -2.186 -3.610
219 2HA GLY 33 1HA GLY 33 18.773 -2.510 -5.325
220 H ASN 34 H ASN 34 21.018 -2.186 -2.964
221 HA ASN 34 HA ASN 34 23.159 -1.921 -4.900
222 1HB ASN 34 2HB ASN 34 22.597 0.410 -4.001
223 2HB ASN 34 1HB ASN 34 23.228 -0.155 -2.457
224 1HD2 ASN 34 1HD2 ASN 34 23.977 1.310 -5.346
225 2HD2 ASN 34 2HD2 ASN 34 25.697 1.148 -5.292
226 H GLY 35 H GLY 35 22.320 -2.221 -1.462
227 1HA GLY 35 2HA GLY 35 22.907 -3.969 -0.032
228 2HA GLY 35 1HA GLY 35 23.988 -4.590 -1.270
229 H PHE 36 H PHE 36 24.256 -3.953 1.685
230 HA PHE 36 HA PHE 36 26.948 -2.982 1.540
231 1HB PHE 36 2HB PHE 36 25.291 -0.925 1.607
232 2HB PHE 36 1HB PHE 36 25.214 -1.315 3.322
233 HD1 PHE 36 1HD PHE 36 27.173 -1.064 4.741
234 HD2 PHE 36 2HD PHE 36 27.290 -0.036 0.613
235 HE1 PHE 36 1HE PHE 36 29.267 0.171 5.113
236 HE2 PHE 36 2HE PHE 36 29.385 1.201 0.978
237 HZ PHE 36 HZ PHE 36 30.376 1.305 3.229
238 H TRP 37 H TRP 37 25.627 -5.354 2.426
239 HA TRP 37 HA TRP 37 25.491 -5.354 5.291
240 1HB TRP 37 2HB TRP 37 25.460 -7.534 3.207
241 2HB TRP 37 1HB TRP 37 25.451 -7.892 4.931
242 HD1 TRP 37 HD TRP 37 23.338 -6.287 6.226
243 HE1 TRP 37 1HE TRP 37 20.873 -6.255 5.487
244 HE3 TRP 37 3HE TRP 37 23.909 -7.932 1.419
245 HZ2 TRP 37 2HZ TRP 37 19.369 -6.849 3.173
246 HZ3 TRP 37 3HZ TRP 37 21.906 -8.174 0.009
247 HH2 TRP 37 HH TRP 37 19.684 -7.644 0.870
Start of MODEL 6
1 HA LYS 1 HA LYS 1 -7.388 -6.148 6.992
2 1HB LYS 1 2HB LYS 1 -8.011 -7.141 4.840
3 2HB LYS 1 1HB LYS 1 -9.393 -7.097 5.928
4 1HG LYS 1 2HG LYS 1 -10.243 -5.123 4.766
5 2HG LYS 1 1HG LYS 1 -8.851 -5.166 3.682
6 1HD LYS 1 2HD LYS 1 -10.786 -6.182 2.615
7 2HD LYS 1 1HD LYS 1 -9.530 -7.386 2.899
8 1HE LYS 1 2HE LYS 1 -10.711 -8.370 4.662
9 2HE LYS 1 1HE LYS 1 -11.763 -6.970 4.859
10 1HZ LYS 1 1HZ LYS 1 -12.089 -9.247 3.178
11 2HZ LYS 1 2HZ LYS 1 -12.185 -7.815 2.285
12 3HZ LYS 1 3HZ LYS 1 -13.216 -8.059 3.602
13 H TYR 2 H TYR 2 -5.442 -5.213 6.633
14 HA TYR 2 HA TYR 2 -5.199 -3.026 4.758
15 1HB TYR 2 2HB TYR 2 -3.842 -3.779 7.041
16 2HB TYR 2 1HB TYR 2 -2.697 -4.068 5.737
17 HD1 TYR 2 1HD TYR 2 -4.859 -1.584 7.284
18 HD2 TYR 2 2HD TYR 2 -1.664 -2.291 4.623
19 HE1 TYR 2 1HE TYR 2 -4.370 0.835 7.256
20 HE2 TYR 2 2HE TYR 2 -1.168 0.092 4.538
21 HH TYR 2 HH TYR 2 -2.647 2.355 6.723
22 H TYR 3 H TYR 3 -4.110 -3.118 2.791
23 HA TYR 3 HA TYR 3 -3.544 -5.836 1.802
24 1HB TYR 3 2HB TYR 3 -4.505 -3.326 0.480
25 2HB TYR 3 1HB TYR 3 -3.650 -4.531 -0.477
26 HD1 TYR 3 1HD TYR 3 -4.592 -6.859 -0.628
27 HD2 TYR 3 2HD TYR 3 -6.769 -3.646 1.107
28 HE1 TYR 3 1HE TYR 3 -6.675 -8.140 -0.881
29 HE2 TYR 3 2HE TYR 3 -8.858 -4.908 0.850
30 HH TYR 3 HH TYR 3 -9.383 -7.229 -1.074
31 H GLY 4 H GLY 4 -1.570 -4.647 3.371
32 1HA GLY 4 2HA GLY 4 0.627 -3.920 3.375
33 2HA GLY 4 1HA GLY 4 0.757 -5.077 2.056
34 H ASN 5 H ASN 5 -1.235 -2.243 1.694
35 HA ASN 5 HA ASN 5 0.864 -0.780 0.289
36 1HB ASN 5 2HB ASN 5 -1.035 -2.397 -1.078
37 2HB ASN 5 1HB ASN 5 -1.484 -0.718 -1.363
38 1HD2 ASN 5 1HD2 ASN 5 -0.301 0.485 -2.727
39 2HD2 ASN 5 2HD2 ASN 5 1.112 -0.073 -3.552
40 H GLY 6 H GLY 6 -0.744 -0.384 2.735
41 1HA GLY 6 2HA GLY 6 -1.596 1.534 3.754
42 2HA GLY 6 1HA GLY 6 -1.539 2.327 2.197
43 H VAL 7 H VAL 7 -3.098 -0.246 1.299
44 HA VAL 7 HA VAL 7 -5.707 1.005 1.587
45 HB VAL 7 HB VAL 7 -4.705 -1.223 -0.172
46 1HG1 VAL 7 1HG1 VAL 7 -6.811 -2.036 0.110
47 2HG1 VAL 7 2HG1 VAL 7 -7.159 -0.819 -1.121
48 3HG1 VAL 7 3HG1 VAL 7 -7.457 -0.464 0.581
49 1HG2 VAL 7 1HG2 VAL 7 -4.947 0.264 -1.933
50 2HG2 VAL 7 2HG2 VAL 7 -4.383 1.319 -0.637
51 3HG2 VAL 7 3HG2 VAL 7 -6.097 1.269 -1.050
52 H HIS 8 H HIS 8 -7.294 0.348 2.822
53 HA HIS 8 HA HIS 8 -7.362 -2.415 3.743
54 1HB HIS 8 2HB HIS 8 -8.247 -1.158 5.990
55 2HB HIS 8 1HB HIS 8 -6.606 -1.759 5.772
56 HD1 HIS 8 1HD HIS 8 -8.096 1.044 7.085
57 HD2 HIS 8 2HD HIS 8 -5.175 0.522 4.187
58 HE1 HIS 8 1HE HIS 8 -6.856 3.221 6.994
59 HE2 HIS 8 2HE HIS 8 -4.927 2.774 5.444
60 H CYS 9 H CYS 9 -9.333 -3.261 3.525
61 HA CYS 9 HA CYS 9 -11.544 -1.387 3.135
62 1HB CYS 9 2HB CYS 9 -10.735 -3.375 1.468
63 2HB CYS 9 1HB CYS 9 -12.002 -4.189 2.385
64 H THR 10 H THR 10 -12.042 -1.065 5.249
65 HA THR 10 HA THR 10 -12.774 -3.379 6.880
66 HB THR 10 HB THR 10 -11.425 -1.970 8.145
67 HG1 THR 10 1HG THR 10 -12.831 -0.949 9.651
68 1HG2 THR 10 1HG2 THR 10 -12.235 0.570 8.306
69 2HG2 THR 10 2HG2 THR 10 -12.675 0.222 6.634
70 3HG2 THR 10 3HG2 THR 10 -11.009 0.010 7.169
71 H LYS 11 H LYS 11 -14.623 -2.296 8.553
72 HA LYS 11 HA LYS 11 -17.007 -2.794 7.238
73 1HB LYS 11 2HB LYS 11 -18.087 -2.134 9.262
74 2HB LYS 11 1HB LYS 11 -16.567 -2.911 9.689
75 1HG LYS 11 2HG LYS 11 -15.610 -0.531 9.783
76 2HG LYS 11 1HG LYS 11 -17.296 -0.012 9.832
77 1HD LYS 11 2HD LYS 11 -17.512 -1.744 11.752
78 2HD LYS 11 1HD LYS 11 -15.752 -1.626 11.827
79 1HE LYS 11 2HE LYS 11 -15.889 0.279 12.959
80 2HE LYS 11 1HE LYS 11 -16.875 1.003 11.690
81 1HZ LYS 11 1HZ LYS 11 -17.766 0.665 14.136
82 2HZ LYS 11 2HZ LYS 11 -18.195 -0.851 13.519
83 3HZ LYS 11 3HZ LYS 11 -18.788 0.557 12.792
84 H SER 12 H SER 12 -15.162 0.108 7.357
85 HA SER 12 HA SER 12 -17.418 1.741 6.479
86 1HB SER 12 2HB SER 12 -15.900 3.638 6.693
87 2HB SER 12 1HB SER 12 -15.838 2.665 8.162
88 HG SER 12 HG SER 12 -13.787 3.406 6.943
89 H GLY 13 H GLY 13 -15.901 -0.472 4.940
90 1HA GLY 13 2HA GLY 13 -15.824 -0.753 2.612
91 2HA GLY 13 1HA GLY 13 -15.815 0.995 2.423
92 H CYS 14 H CYS 14 -14.065 0.758 0.920
93 HA CYS 14 HA CYS 14 -11.530 -0.164 2.012
94 1HB CYS 14 2HB CYS 14 -12.398 0.676 -0.729
95 2HB CYS 14 1HB CYS 14 -10.703 0.495 -0.311
96 H SER 15 H SER 15 -9.972 1.124 2.745
97 HA SER 15 HA SER 15 -9.958 3.935 2.001
98 1HB SER 15 2HB SER 15 -9.795 3.528 4.929
99 2HB SER 15 1HB SER 15 -10.526 4.842 4.009
100 HG SER 15 HG SER 15 -12.293 3.857 4.655
101 H VAL 16 H VAL 16 -7.957 4.194 1.357
102 HA VAL 16 HA VAL 16 -5.767 2.828 2.700
103 HB VAL 16 HB VAL 16 -5.686 2.580 0.361
104 1HG1 VAL 16 1HG1 VAL 16 -7.175 4.042 -0.480
105 2HG1 VAL 16 2HG1 VAL 16 -5.641 4.643 -1.113
106 3HG1 VAL 16 3HG1 VAL 16 -6.396 5.426 0.279
107 1HG2 VAL 16 1HG2 VAL 16 -3.477 3.078 1.217
108 2HG2 VAL 16 2HG2 VAL 16 -3.786 4.794 1.045
109 3HG2 VAL 16 3HG2 VAL 16 -3.666 3.773 -0.391
110 H ASN 17 H ASN 17 -4.791 3.876 4.298
111 HA ASN 17 HA ASN 17 -5.147 6.513 5.037
112 1HB ASN 17 2HB ASN 17 -4.198 4.854 6.553
113 2HB ASN 17 1HB ASN 17 -2.758 4.736 5.547
114 1HD2 ASN 17 1HD2 ASN 17 -3.849 5.941 8.328
115 2HD2 ASN 17 2HD2 ASN 17 -2.822 7.319 8.504
116 H TRP 18 H TRP 18 -3.087 5.150 2.640
117 HA TRP 18 HA TRP 18 -1.807 6.044 1.018
118 1HB TRP 18 2HB TRP 18 -3.271 8.501 1.921
119 2HB TRP 18 1HB TRP 18 -1.956 8.632 0.745
120 HD1 TRP 18 HD TRP 18 -5.578 7.805 0.950
121 HE1 TRP 18 1HE TRP 18 -6.399 6.820 -1.265
122 HE3 TRP 18 3HE TRP 18 -1.070 7.007 -1.287
123 HZ2 TRP 18 2HZ TRP 18 -5.293 5.783 -3.617
124 HZ3 TRP 18 3HZ TRP 18 -1.041 5.988 -3.525
125 HH2 TRP 18 HH TRP 18 -3.114 5.386 -4.650
126 H GLY 19 H GLY 19 -1.551 8.250 3.850
127 1HA GLY 19 2HA GLY 19 1.179 8.777 3.566
128 2HA GLY 19 1HA GLY 19 0.326 8.741 5.112
129 H GLU 20 H GLU 20 -0.527 5.954 4.617
130 HA GLU 20 HA GLU 20 1.700 4.603 5.805
131 1HB GLU 20 2HB GLU 20 -1.107 4.196 5.571
132 2HB GLU 20 1HB GLU 20 -0.320 2.778 4.883
133 1HG GLU 20 2HG GLU 20 0.655 3.777 7.499
134 2HG GLU 20 1HG GLU 20 -0.907 2.961 7.449
135 H ALA 21 H ALA 21 0.019 4.547 2.687
136 HA ALA 21 HA ALA 21 1.676 2.532 1.515
137 1HB ALA 21 1HB ALA 21 -0.045 4.634 0.220
138 2HB ALA 21 2HB ALA 21 -0.571 3.016 0.682
139 3HB ALA 21 3HB ALA 21 0.637 3.222 -0.585
140 H PHE 22 H PHE 22 1.690 6.024 1.692
141 HA PHE 22 HA PHE 22 3.667 6.599 -0.219
142 1HB PHE 22 2HB PHE 22 2.215 8.287 0.914
143 2HB PHE 22 1HB PHE 22 3.111 8.010 2.404
144 HD1 PHE 22 1HD PHE 22 2.905 9.918 -0.573
145 HD2 PHE 22 2HD PHE 22 5.649 8.433 2.318
146 HE1 PHE 22 1HE PHE 22 4.535 11.634 -1.244
147 HE2 PHE 22 2HE PHE 22 7.284 10.147 1.654
148 HZ PHE 22 HZ PHE 22 6.728 11.751 -0.129
149 H SER 23 H SER 23 3.726 5.585 3.113
150 HA SER 23 HA SER 23 6.535 5.866 3.529
151 1HB SER 23 2HB SER 23 4.239 4.779 5.003
152 2HB SER 23 1HB SER 23 5.731 3.879 5.274
153 HG SER 23 HG SER 23 5.599 6.700 5.458
154 H ALA 24 H ALA 24 4.444 3.426 2.203
155 HA ALA 24 HA ALA 24 6.384 1.314 2.165
156 1HB ALA 24 1HB ALA 24 4.039 1.360 0.326
157 2HB ALA 24 2HB ALA 24 3.759 1.238 2.063
158 3HB ALA 24 3HB ALA 24 4.728 0.015 1.238
159 H GLY 25 H GLY 25 5.009 3.498 -0.275
160 1HA GLY 25 2HA GLY 25 6.543 2.574 -2.447
161 2HA GLY 25 1HA GLY 25 5.766 4.148 -2.338
162 H VAL 26 H VAL 26 7.196 4.989 0.037
163 HA VAL 26 HA VAL 26 9.492 6.110 -1.211
164 HB VAL 26 HB VAL 26 8.714 6.035 1.719
165 1HG1 VAL 26 1HG1 VAL 26 10.993 6.455 1.814
166 2HG1 VAL 26 2HG1 VAL 26 10.312 8.080 1.733
167 3HG1 VAL 26 3HG1 VAL 26 10.995 7.337 0.286
168 1HG2 VAL 26 1HG2 VAL 26 8.644 8.547 0.188
169 2HG2 VAL 26 2HG2 VAL 26 7.528 7.919 1.399
170 3HG2 VAL 26 3HG2 VAL 26 7.437 7.343 -0.265
171 H HIS 27 H HIS 27 9.024 3.436 1.069
172 HA HIS 27 HA HIS 27 11.761 2.999 1.596
173 1HB HIS 27 2HB HIS 27 9.527 0.953 1.578
174 2HB HIS 27 1HB HIS 27 11.084 0.789 2.378
175 HD1 HIS 27 1HD HIS 27 10.645 4.012 3.207
176 HD2 HIS 27 2HD HIS 27 8.466 0.636 4.257
177 HE1 HIS 27 1HE HIS 27 9.459 4.612 5.326
178 HE2 HIS 27 2HE HIS 27 8.141 2.562 5.955
179 H ARG 28 H ARG 28 9.556 1.468 -0.741
180 HA ARG 28 HA ARG 28 11.562 -0.087 -2.001
181 1HB ARG 28 2HB ARG 28 8.854 0.829 -2.989
182 2HB ARG 28 1HB ARG 28 9.862 -0.355 -3.811
183 1HG ARG 28 2HG ARG 28 9.769 -1.528 -1.437
184 2HG ARG 28 1HG ARG 28 8.265 -0.611 -1.328
185 1HD ARG 28 2HD ARG 28 8.968 -2.400 -3.649
186 2HD ARG 28 1HD ARG 28 8.043 -2.940 -2.248
187 HE ARG 28 HE ARG 28 6.965 -0.599 -3.529
188 1HH1 ARG 28 1HH1 ARG 28 7.012 -4.089 -3.502
189 2HH1 ARG 28 2HH1 ARG 28 5.467 -4.240 -4.270
190 1HH2 ARG 28 1HH2 ARG 28 4.932 -0.798 -4.539
191 2HH2 ARG 28 2HH2 ARG 28 4.286 -2.374 -4.859
192 H LEU 29 H LEU 29 10.224 3.118 -2.629
193 HA LEU 29 HA LEU 29 11.564 3.499 -5.111
194 1HB LEU 29 2HB LEU 29 9.558 4.717 -4.684
195 2HB LEU 29 1HB LEU 29 10.224 5.405 -3.215
196 HG LEU 29 HG LEU 29 11.742 6.787 -4.462
197 1HD1 LEU 29 1HD1 LEU 29 10.656 5.589 -7.000
198 2HD1 LEU 29 2HD1 LEU 29 12.165 5.072 -6.247
199 3HD1 LEU 29 3HD1 LEU 29 11.990 6.731 -6.823
200 1HD2 LEU 29 1HD2 LEU 29 10.222 8.279 -5.435
201 2HD2 LEU 29 2HD2 LEU 29 9.284 7.410 -4.221
202 3HD2 LEU 29 3HD2 LEU 29 9.130 6.984 -5.926
203 H ALA 30 H ALA 30 12.127 4.714 -1.859
204 HA ALA 30 HA ALA 30 14.443 6.199 -2.494
205 1HB ALA 30 1HB ALA 30 14.634 6.573 -0.141
206 2HB ALA 30 2HB ALA 30 13.597 5.189 0.210
207 3HB ALA 30 3HB ALA 30 12.924 6.617 -0.577
208 H ASN 31 H ASN 31 13.995 2.852 -1.490
209 HA ASN 31 HA ASN 31 16.792 2.522 -0.857
210 1HB ASN 31 2HB ASN 31 14.665 1.186 0.030
211 2HB ASN 31 1HB ASN 31 15.054 0.145 -1.339
212 1HD2 ASN 31 1HD2 ASN 31 16.606 1.772 1.403
213 2HD2 ASN 31 2HD2 ASN 31 17.689 0.479 1.780
214 H GLY 32 H GLY 32 17.062 3.538 -3.174
215 1HA GLY 32 2HA GLY 32 17.097 1.440 -5.227
216 2HA GLY 32 1HA GLY 32 17.296 3.162 -5.508
217 H GLY 33 H GLY 33 18.889 0.400 -3.942
218 1HA GLY 33 2HA GLY 33 21.319 0.658 -5.255
219 2HA GLY 33 1HA GLY 33 21.443 1.630 -3.796
220 H ASN 34 H ASN 34 19.819 -0.015 -2.136
221 HA ASN 34 HA ASN 34 21.757 -2.097 -1.546
222 1HB ASN 34 2HB ASN 34 19.448 -0.873 -0.065
223 2HB ASN 34 1HB ASN 34 20.108 -2.419 0.458
224 1HD2 ASN 34 1HD2 ASN 34 20.783 0.972 -0.011
225 2HD2 ASN 34 2HD2 ASN 34 22.168 1.039 1.019
226 H GLY 35 H GLY 35 18.255 -1.836 -2.107
227 1HA GLY 35 2HA GLY 35 17.983 -4.719 -2.292
228 2HA GLY 35 1HA GLY 35 16.699 -3.532 -2.472
229 H PHE 36 H PHE 36 15.882 -4.542 -4.327
230 HA PHE 36 HA PHE 36 17.541 -4.997 -6.624
231 1HB PHE 36 2HB PHE 36 15.471 -5.619 -7.748
232 2HB PHE 36 1HB PHE 36 15.565 -6.385 -6.165
233 HD1 PHE 36 1HD PHE 36 14.063 -3.566 -8.009
234 HD2 PHE 36 2HD PHE 36 13.898 -6.052 -4.568
235 HE1 PHE 36 1HE PHE 36 11.862 -2.613 -7.436
236 HE2 PHE 36 2HE PHE 36 11.698 -5.110 -3.980
237 HZ PHE 36 HZ PHE 36 10.677 -3.386 -5.417
238 H TRP 37 H TRP 37 17.884 -3.723 -8.349
239 HA TRP 37 HA TRP 37 17.197 -0.943 -8.162
240 1HB TRP 37 2HB TRP 37 18.367 -0.860 -10.437
241 2HB TRP 37 1HB TRP 37 19.338 -1.378 -9.061
242 HD1 TRP 37 HD TRP 37 16.980 -3.478 -11.323
243 HE1 TRP 37 1HE TRP 37 18.333 -5.464 -12.242
244 HE3 TRP 37 3HE TRP 37 21.551 -2.335 -9.338
245 HZ2 TRP 37 2HZ TRP 37 20.987 -6.420 -12.141
246 HZ3 TRP 37 3HZ TRP 37 23.445 -3.837 -9.798
247 HH2 TRP 37 HH TRP 37 23.167 -5.837 -11.170
Start of MODEL 7
1 HA LYS 1 HA LYS 1 -6.944 -5.464 7.484
2 1HB LYS 1 2HB LYS 1 -7.739 -6.664 5.484
3 2HB LYS 1 1HB LYS 1 -9.040 -6.393 6.636
4 1HG LYS 1 2HG LYS 1 -9.736 -4.430 5.267
5 2HG LYS 1 1HG LYS 1 -8.536 -4.914 4.066
6 1HD LYS 1 2HD LYS 1 -10.502 -5.885 3.282
7 2HD LYS 1 1HD LYS 1 -9.702 -7.207 4.137
8 1HE LYS 1 2HE LYS 1 -11.183 -6.020 6.117
9 2HE LYS 1 1HE LYS 1 -12.230 -5.854 4.708
10 1HZ LYS 1 1HZ LYS 1 -11.740 -8.320 4.354
11 2HZ LYS 1 2HZ LYS 1 -12.797 -7.902 5.606
12 3HZ LYS 1 3HZ LYS 1 -11.197 -8.321 5.956
13 H TYR 2 H TYR 2 -4.919 -4.832 6.904
14 HA TYR 2 HA TYR 2 -4.522 -2.863 4.850
15 1HB TYR 2 2HB TYR 2 -3.070 -3.664 7.030
16 2HB TYR 2 1HB TYR 2 -2.150 -4.326 5.678
17 HD1 TYR 2 1HD TYR 2 -3.487 -1.324 7.186
18 HD2 TYR 2 2HD TYR 2 -1.029 -2.868 4.129
19 HE1 TYR 2 1HE TYR 2 -2.557 0.918 6.826
20 HE2 TYR 2 2HE TYR 2 -0.098 -0.651 3.723
21 HH TYR 2 HH TYR 2 0.221 1.437 4.930
22 H TYR 3 H TYR 3 -3.884 -3.230 2.767
23 HA TYR 3 HA TYR 3 -3.881 -6.032 1.899
24 1HB TYR 3 2HB TYR 3 -4.519 -3.425 0.628
25 2HB TYR 3 1HB TYR 3 -3.894 -4.696 -0.423
26 HD1 TYR 3 1HD TYR 3 -5.117 -6.882 -0.544
27 HD2 TYR 3 2HD TYR 3 -6.743 -3.489 1.440
28 HE1 TYR 3 1HE TYR 3 -7.351 -7.901 -0.645
29 HE2 TYR 3 2HE TYR 3 -8.983 -4.491 1.335
30 HH TYR 3 HH TYR 3 -10.009 -6.514 -0.506
31 H GLY 4 H GLY 4 -1.854 -3.196 2.001
32 1HA GLY 4 2HA GLY 4 0.578 -3.987 2.201
33 2HA GLY 4 1HA GLY 4 0.277 -4.664 0.601
34 H ASN 5 H ASN 5 -1.480 -2.374 -0.066
35 HA ASN 5 HA ASN 5 0.640 -0.438 -0.720
36 1HB ASN 5 2HB ASN 5 -1.760 -1.455 -2.162
37 2HB ASN 5 1HB ASN 5 -1.345 0.240 -2.397
38 1HD2 ASN 5 1HD2 ASN 5 -0.690 0.093 -4.475
39 2HD2 ASN 5 2HD2 ASN 5 0.703 -0.791 -4.986
40 H GLY 6 H GLY 6 -0.274 -0.148 1.798
41 1HA GLY 6 2HA GLY 6 -1.343 1.285 3.233
42 2HA GLY 6 1HA GLY 6 -1.182 2.461 1.953
43 H VAL 7 H VAL 7 -2.994 -0.454 1.472
44 HA VAL 7 HA VAL 7 -5.464 1.160 1.407
45 HB VAL 7 HB VAL 7 -4.700 -1.320 -0.134
46 1HG1 VAL 7 1HG1 VAL 7 -6.882 -1.843 0.405
47 2HG1 VAL 7 2HG1 VAL 7 -7.098 -0.917 -1.083
48 3HG1 VAL 7 3HG1 VAL 7 -7.364 -0.148 0.486
49 1HG2 VAL 7 1HG2 VAL 7 -4.344 1.281 -0.767
50 2HG2 VAL 7 2HG2 VAL 7 -5.963 1.005 -1.412
51 3HG2 VAL 7 3HG2 VAL 7 -4.613 0.007 -1.956
52 H HIS 8 H HIS 8 -6.588 0.904 3.240
53 HA HIS 8 HA HIS 8 -6.797 -1.824 4.291
54 1HB HIS 8 2HB HIS 8 -7.771 0.103 6.187
55 2HB HIS 8 1HB HIS 8 -6.484 -1.078 6.371
56 HD1 HIS 8 1HD HIS 8 -6.691 2.042 7.312
57 HD2 HIS 8 2HD HIS 8 -4.302 0.369 4.354
58 HE1 HIS 8 1HE HIS 8 -4.766 3.619 7.043
59 HE2 HIS 8 2HE HIS 8 -3.267 2.531 5.332
60 H CYS 9 H CYS 9 -8.790 -2.647 4.819
61 HA CYS 9 HA CYS 9 -11.070 -1.104 3.817
62 1HB CYS 9 2HB CYS 9 -10.187 -3.508 2.862
63 2HB CYS 9 1HB CYS 9 -11.416 -4.015 4.018
64 H THR 10 H THR 10 -11.180 -0.144 5.874
65 HA THR 10 HA THR 10 -11.887 -1.857 8.119
66 HB THR 10 HB THR 10 -11.363 -0.104 9.513
67 HG1 THR 10 1HG THR 10 -12.172 1.615 7.418
68 1HG2 THR 10 1HG2 THR 10 -9.451 1.128 8.752
69 2HG2 THR 10 2HG2 THR 10 -9.867 0.813 7.068
70 3HG2 THR 10 3HG2 THR 10 -9.362 -0.514 8.114
71 H LYS 11 H LYS 11 -13.800 -2.102 8.967
72 HA LYS 11 HA LYS 11 -15.983 -1.791 9.509
73 1HB LYS 11 2HB LYS 11 -15.925 0.617 7.678
74 2HB LYS 11 1HB LYS 11 -17.252 0.160 8.730
75 1HG LYS 11 2HG LYS 11 -14.828 0.319 10.234
76 2HG LYS 11 1HG LYS 11 -15.071 1.801 9.309
77 1HD LYS 11 2HD LYS 11 -16.386 2.412 11.026
78 2HD LYS 11 1HD LYS 11 -17.575 1.336 10.291
79 1HE LYS 11 2HE LYS 11 -17.595 0.280 12.261
80 2HE LYS 11 1HE LYS 11 -16.037 -0.388 11.773
81 1HZ LYS 11 1HZ LYS 11 -16.550 1.953 13.511
82 2HZ LYS 11 2HZ LYS 11 -15.033 1.649 12.828
83 3HZ LYS 11 3HZ LYS 11 -15.718 0.530 13.894
84 H SER 12 H SER 12 -16.341 -0.481 6.277
85 HA SER 12 HA SER 12 -17.083 -3.071 5.199
86 1HB SER 12 2HB SER 12 -19.059 -1.306 6.228
87 2HB SER 12 1HB SER 12 -19.220 -1.342 4.474
88 HG SER 12 HG SER 12 -18.972 -3.703 6.007
89 H GLY 13 H GLY 13 -15.138 -0.804 4.717
90 1HA GLY 13 2HA GLY 13 -15.434 -0.806 1.834
91 2HA GLY 13 1HA GLY 13 -15.563 0.778 2.583
92 H CYS 14 H CYS 14 -13.562 -0.129 0.700
93 HA CYS 14 HA CYS 14 -11.154 -0.301 2.330
94 1HB CYS 14 2HB CYS 14 -11.462 -0.474 -0.657
95 2HB CYS 14 1HB CYS 14 -9.959 -0.673 0.232
96 H SER 15 H SER 15 -9.697 1.216 2.557
97 HA SER 15 HA SER 15 -9.928 3.675 0.987
98 1HB SER 15 2HB SER 15 -9.478 4.064 3.896
99 2HB SER 15 1HB SER 15 -10.361 5.069 2.748
100 HG SER 15 HG SER 15 -11.315 3.249 4.463
101 H VAL 16 H VAL 16 -8.043 5.165 1.489
102 HA VAL 16 HA VAL 16 -5.636 3.576 2.101
103 HB VAL 16 HB VAL 16 -5.802 5.746 0.012
104 1HG1 VAL 16 1HG1 VAL 16 -3.577 4.128 -0.420
105 2HG1 VAL 16 2HG1 VAL 16 -3.618 4.393 1.323
106 3HG1 VAL 16 3HG1 VAL 16 -3.594 5.767 0.223
107 1HG2 VAL 16 1HG2 VAL 16 -6.058 2.801 -0.161
108 2HG2 VAL 16 2HG2 VAL 16 -5.225 3.673 -1.456
109 3HG2 VAL 16 3HG2 VAL 16 -6.904 4.067 -1.065
110 H ASN 17 H ASN 17 -4.567 4.355 3.782
111 HA ASN 17 HA ASN 17 -5.130 6.882 4.946
112 1HB ASN 17 2HB ASN 17 -3.706 4.587 5.702
113 2HB ASN 17 1HB ASN 17 -2.514 5.881 5.680
114 1HD2 ASN 17 1HD2 ASN 17 -3.280 4.571 8.001
115 2HD2 ASN 17 2HD2 ASN 17 -4.104 5.690 9.028
116 H TRP 18 H TRP 18 -3.162 5.894 2.361
117 HA TRP 18 HA TRP 18 -1.776 6.952 0.942
118 1HB TRP 18 2HB TRP 18 -3.088 9.327 2.255
119 2HB TRP 18 1HB TRP 18 -1.892 9.508 0.965
120 HD1 TRP 18 HD TRP 18 -5.508 9.111 1.413
121 HE1 TRP 18 1HE TRP 18 -6.640 8.392 -0.780
122 HE3 TRP 18 3HE TRP 18 -1.370 7.754 -1.195
123 HZ2 TRP 18 2HZ TRP 18 -5.866 7.370 -3.289
124 HZ3 TRP 18 3HZ TRP 18 -1.634 6.909 -3.494
125 HH2 TRP 18 HH TRP 18 -3.845 6.705 -4.503
126 H GLY 19 H GLY 19 -1.479 8.830 3.994
127 1HA GLY 19 2HA GLY 19 1.295 9.182 3.707
128 2HA GLY 19 1HA GLY 19 0.422 9.231 5.245
129 H GLU 20 H GLU 20 -0.639 6.509 4.847
130 HA GLU 20 HA GLU 20 1.550 5.036 5.986
131 1HB GLU 20 2HB GLU 20 -1.299 4.300 5.264
132 2HB GLU 20 1HB GLU 20 -0.151 3.115 5.878
133 1HG GLU 20 2HG GLU 20 0.106 5.071 7.728
134 2HG GLU 20 1HG GLU 20 -1.589 5.248 7.284
135 H ALA 21 H ALA 21 -0.229 5.122 2.942
136 HA ALA 21 HA ALA 21 1.139 2.945 1.696
137 1HB ALA 21 1HB ALA 21 -0.073 3.492 -0.190
138 2HB ALA 21 2HB ALA 21 -0.038 5.220 0.168
139 3HB ALA 21 3HB ALA 21 -1.099 4.152 1.085
140 H PHE 22 H PHE 22 1.563 6.419 1.879
141 HA PHE 22 HA PHE 22 3.569 6.754 -0.052
142 1HB PHE 22 2HB PHE 22 2.320 8.599 1.096
143 2HB PHE 22 1HB PHE 22 3.232 8.251 2.562
144 HD1 PHE 22 1HD PHE 22 5.744 8.514 2.501
145 HD2 PHE 22 2HD PHE 22 3.188 9.990 -0.563
146 HE1 PHE 22 1HE PHE 22 7.532 10.022 1.742
147 HE2 PHE 22 2HE PHE 22 4.971 11.501 -1.331
148 HZ PHE 22 HZ PHE 22 7.148 11.519 -0.176
149 H SER 23 H SER 23 3.573 5.779 3.298
150 HA SER 23 HA SER 23 6.400 5.755 3.673
151 1HB SER 23 2HB SER 23 4.690 5.717 5.530
152 2HB SER 23 1HB SER 23 4.357 4.037 5.110
153 HG SER 23 HG SER 23 5.870 3.972 6.701
154 H ALA 24 H ALA 24 4.054 3.565 2.342
155 HA ALA 24 HA ALA 24 5.745 1.259 2.235
156 1HB ALA 24 1HB ALA 24 3.447 1.637 0.373
157 2HB ALA 24 2HB ALA 24 3.125 1.489 2.102
158 3HB ALA 24 3HB ALA 24 3.961 0.191 1.244
159 H GLY 25 H GLY 25 4.648 3.682 -0.119
160 1HA GLY 25 2HA GLY 25 6.083 2.686 -2.325
161 2HA GLY 25 1HA GLY 25 5.521 4.341 -2.137
162 H VAL 26 H VAL 26 7.027 4.840 0.296
163 HA VAL 26 HA VAL 26 9.467 5.721 -0.876
164 HB VAL 26 HB VAL 26 8.710 5.571 2.056
165 1HG1 VAL 26 1HG1 VAL 26 10.442 7.433 2.210
166 2HG1 VAL 26 2HG1 VAL 26 10.990 6.903 0.620
167 3HG1 VAL 26 3HG1 VAL 26 11.051 5.792 1.989
168 1HG2 VAL 26 1HG2 VAL 26 7.580 7.492 1.844
169 2HG2 VAL 26 2HG2 VAL 26 7.510 7.083 0.131
170 3HG2 VAL 26 3HG2 VAL 26 8.759 8.177 0.725
171 H HIS 27 H HIS 27 8.608 2.981 1.190
172 HA HIS 27 HA HIS 27 11.234 2.171 1.806
173 1HB HIS 27 2HB HIS 27 8.761 0.450 1.481
174 2HB HIS 27 1HB HIS 27 10.247 -0.030 2.291
175 HD1 HIS 27 1HD HIS 27 10.057 3.215 3.380
176 HD2 HIS 27 2HD HIS 27 7.740 -0.135 4.191
177 HE1 HIS 27 1HE HIS 27 8.919 3.698 5.553
178 HE2 HIS 27 2HE HIS 27 7.446 1.703 5.987
179 H ARG 28 H ARG 28 9.083 1.436 -0.891
180 HA ARG 28 HA ARG 28 10.882 -0.372 -2.184
181 1HB ARG 28 2HB ARG 28 8.329 1.001 -2.958
182 2HB ARG 28 1HB ARG 28 9.277 0.158 -4.173
183 1HG ARG 28 2HG ARG 28 8.789 -1.400 -1.746
184 2HG ARG 28 1HG ARG 28 7.331 -0.962 -2.639
185 1HD ARG 28 2HD ARG 28 8.363 -3.150 -3.301
186 2HD ARG 28 1HD ARG 28 8.135 -2.003 -4.621
187 HE ARG 28 HE ARG 28 10.667 -1.513 -3.847
188 1HH1 ARG 28 1HH1 ARG 28 8.980 -4.461 -4.652
189 2HH1 ARG 28 2HH1 ARG 28 10.398 -5.257 -5.244
190 1HH2 ARG 28 1HH2 ARG 28 12.532 -2.559 -4.626
191 2HH2 ARG 28 2HH2 ARG 28 12.415 -4.178 -5.229
192 H LEU 29 H LEU 29 10.015 3.035 -2.620
193 HA LEU 29 HA LEU 29 11.657 3.454 -4.896
194 1HB LEU 29 2HB LEU 29 9.819 4.898 -4.620
195 2HB LEU 29 1HB LEU 29 10.268 5.284 -2.972
196 HG LEU 29 HG LEU 29 12.147 6.604 -3.737
197 1HD1 LEU 29 1HD1 LEU 29 12.844 6.800 -5.940
198 2HD1 LEU 29 2HD1 LEU 29 11.326 6.176 -6.582
199 3HD1 LEU 29 3HD1 LEU 29 12.466 5.084 -5.798
200 1HD2 LEU 29 1HD2 LEU 29 9.577 7.230 -5.180
201 2HD2 LEU 29 2HD2 LEU 29 10.916 8.361 -4.978
202 3HD2 LEU 29 3HD2 LEU 29 10.048 7.760 -3.565
203 H ALA 30 H ALA 30 12.032 4.217 -1.484
204 HA ALA 30 HA ALA 30 14.579 5.443 -1.752
205 1HB ALA 30 1HB ALA 30 13.621 4.307 0.829
206 2HB ALA 30 2HB ALA 30 12.750 5.653 0.093
207 3HB ALA 30 3HB ALA 30 14.457 5.828 0.507
208 H ASN 31 H ASN 31 13.834 2.270 -2.177
209 HA ASN 31 HA ASN 31 15.988 1.097 -0.670
210 1HB ASN 31 2HB ASN 31 13.749 -0.011 -1.441
211 2HB ASN 31 1HB ASN 31 14.617 -0.293 -2.948
212 1HD2 ASN 31 1HD2 ASN 31 14.742 -0.831 0.532
213 2HD2 ASN 31 2HD2 ASN 31 15.664 -2.291 0.456
214 H GLY 32 H GLY 32 15.514 2.394 -3.858
215 1HA GLY 32 2HA GLY 32 18.301 2.470 -4.386
216 2HA GLY 32 1HA GLY 32 17.551 1.158 -5.285
217 H GLY 33 H GLY 33 16.139 1.625 -6.981
218 1HA GLY 33 2HA GLY 33 15.148 4.181 -7.613
219 2HA GLY 33 1HA GLY 33 16.681 3.959 -8.447
220 H ASN 34 H ASN 34 13.492 2.485 -7.973
221 HA ASN 34 HA ASN 34 13.377 1.844 -10.799
222 1HB ASN 34 2HB ASN 34 14.479 -0.135 -9.797
223 2HB ASN 34 1HB ASN 34 13.110 -0.328 -8.706
224 1HD2 ASN 34 1HD2 ASN 34 13.623 0.174 -12.185
225 2HD2 ASN 34 2HD2 ASN 34 12.529 -1.062 -12.696
226 H GLY 35 H GLY 35 11.909 3.721 -9.466
227 1HA GLY 35 2HA GLY 35 9.219 2.599 -9.727
228 2HA GLY 35 1HA GLY 35 9.621 3.359 -8.194
229 H PHE 36 H PHE 36 11.056 4.652 -11.056
230 HA PHE 36 HA PHE 36 9.710 7.166 -10.644
231 1HB PHE 36 2HB PHE 36 11.996 6.187 -12.242
232 2HB PHE 36 1HB PHE 36 11.094 7.516 -12.964
233 HD1 PHE 36 1HD PHE 36 13.110 6.471 -10.079
234 HD2 PHE 36 2HD PHE 36 11.173 9.714 -12.039
235 HE1 PHE 36 1HE PHE 36 14.295 8.056 -8.618
236 HE2 PHE 36 2HE PHE 36 12.356 11.306 -10.583
237 HZ PHE 36 HZ PHE 36 13.919 10.477 -8.869
238 H TRP 37 H TRP 37 9.004 8.344 -12.771
239 HA TRP 37 HA TRP 37 7.267 8.575 -14.239
240 1HB TRP 37 2HB TRP 37 9.108 7.388 -15.559
241 2HB TRP 37 1HB TRP 37 8.168 5.916 -15.342
242 HD1 TRP 37 HD TRP 37 6.868 9.446 -16.288
243 HE1 TRP 37 1HE TRP 37 5.586 9.245 -18.511
244 HE3 TRP 37 3HE TRP 37 7.716 4.502 -17.272
245 HZ2 TRP 37 2HZ TRP 37 5.011 7.255 -20.428
246 HZ3 TRP 37 3HZ TRP 37 6.766 3.527 -19.321
247 HH2 TRP 37 HH TRP 37 5.442 4.876 -20.866
Start of MODEL 8
1 HA LYS 1 HA LYS 1 -7.035 -6.145 6.697
2 1HB LYS 1 2HB LYS 1 -8.736 -7.257 5.657
3 2HB LYS 1 1HB LYS 1 -9.392 -5.796 4.938
4 1HG LYS 1 2HG LYS 1 -8.258 -6.070 3.020
5 2HG LYS 1 1HG LYS 1 -6.813 -6.666 3.831
6 1HD LYS 1 2HD LYS 1 -7.470 -8.584 2.774
7 2HD LYS 1 1HD LYS 1 -8.364 -8.761 4.285
8 1HE LYS 1 2HE LYS 1 -10.017 -7.239 2.626
9 2HE LYS 1 1HE LYS 1 -9.345 -8.494 1.586
10 1HZ LYS 1 1HZ LYS 1 -11.491 -8.950 2.934
11 2HZ LYS 1 2HZ LYS 1 -10.425 -9.227 4.219
12 3HZ LYS 1 3HZ LYS 1 -10.310 -10.156 2.810
13 H TYR 2 H TYR 2 -5.031 -5.313 6.352
14 HA TYR 2 HA TYR 2 -4.532 -3.176 4.531
15 1HB TYR 2 2HB TYR 2 -3.260 -4.124 6.717
16 2HB TYR 2 1HB TYR 2 -2.269 -4.821 5.433
17 HD1 TYR 2 1HD TYR 2 -0.808 -3.457 4.156
18 HD2 TYR 2 2HD TYR 2 -3.640 -1.713 6.761
19 HE1 TYR 2 1HE TYR 2 0.293 -1.303 3.879
20 HE2 TYR 2 2HE TYR 2 -2.531 0.464 6.518
21 HH TYR 2 HH TYR 2 0.510 0.841 5.359
22 H TYR 3 H TYR 3 -3.773 -3.283 2.494
23 HA TYR 3 HA TYR 3 -3.391 -5.953 1.298
24 1HB TYR 3 2HB TYR 3 -4.440 -3.352 0.268
25 2HB TYR 3 1HB TYR 3 -3.652 -4.441 -0.870
26 HD1 TYR 3 1HD TYR 3 -6.610 -3.821 1.138
27 HD2 TYR 3 2HD TYR 3 -4.607 -6.701 -1.267
28 HE1 TYR 3 1HE TYR 3 -8.695 -5.106 0.956
29 HE2 TYR 3 2HE TYR 3 -6.689 -7.998 -1.455
30 HH TYR 3 HH TYR 3 -9.244 -7.420 -1.278
31 H GLY 4 H GLY 4 -1.308 -4.840 2.795
32 1HA GLY 4 2HA GLY 4 0.891 -4.179 2.705
33 2HA GLY 4 1HA GLY 4 0.926 -5.204 1.277
34 H ASN 5 H ASN 5 -1.117 -2.408 1.199
35 HA ASN 5 HA ASN 5 0.914 -0.740 -0.053
36 1HB ASN 5 2HB ASN 5 -1.282 -2.099 -1.518
37 2HB ASN 5 1HB ASN 5 -1.008 -0.405 -1.915
38 1HD2 ASN 5 1HD2 ASN 5 0.278 -3.615 -1.995
39 2HD2 ASN 5 2HD2 ASN 5 1.597 -3.283 -3.059
40 H GLY 6 H GLY 6 -0.239 -0.255 2.361
41 1HA GLY 6 2HA GLY 6 -1.506 1.275 3.534
42 2HA GLY 6 1HA GLY 6 -1.223 2.317 2.159
43 H VAL 7 H VAL 7 -2.920 -0.687 1.818
44 HA VAL 7 HA VAL 7 -5.437 0.837 1.475
45 HB VAL 7 HB VAL 7 -4.431 -1.508 -0.123
46 1HG1 VAL 7 1HG1 VAL 7 -7.183 -0.625 0.498
47 2HG1 VAL 7 2HG1 VAL 7 -6.576 -2.241 0.132
48 3HG1 VAL 7 3HG1 VAL 7 -6.846 -1.083 -1.172
49 1HG2 VAL 7 1HG2 VAL 7 -5.773 0.769 -1.385
50 2HG2 VAL 7 2HG2 VAL 7 -4.292 -0.070 -1.848
51 3HG2 VAL 7 3HG2 VAL 7 -4.248 1.161 -0.587
52 H HIS 8 H HIS 8 -6.601 0.473 3.242
53 HA HIS 8 HA HIS 8 -6.757 -2.285 4.197
54 1HB HIS 8 2HB HIS 8 -7.949 -0.328 5.986
55 2HB HIS 8 1HB HIS 8 -6.728 -1.551 6.320
56 HD1 HIS 8 1HD HIS 8 -6.801 1.489 7.323
57 HD2 HIS 8 2HD HIS 8 -4.425 -0.097 4.307
58 HE1 HIS 8 1HE HIS 8 -4.836 3.033 7.143
59 HE2 HIS 8 2HE HIS 8 -3.367 2.021 5.363
60 H CYS 9 H CYS 9 -8.788 -3.186 4.684
61 HA CYS 9 HA CYS 9 -10.991 -1.757 3.411
62 1HB CYS 9 2HB CYS 9 -10.013 -4.154 2.631
63 2HB CYS 9 1HB CYS 9 -11.315 -4.653 3.711
64 H THR 10 H THR 10 -10.920 -0.781 5.563
65 HA THR 10 HA THR 10 -12.629 -2.294 7.420
66 HB THR 10 HB THR 10 -10.588 -1.994 8.569
67 HG1 THR 10 1HG THR 10 -11.862 0.331 9.460
68 1HG2 THR 10 1HG2 THR 10 -9.222 -0.111 8.620
69 2HG2 THR 10 2HG2 THR 10 -10.494 0.945 8.005
70 3HG2 THR 10 3HG2 THR 10 -9.724 -0.223 6.935
71 H LYS 11 H LYS 11 -13.803 -0.688 8.930
72 HA LYS 11 HA LYS 11 -15.773 0.530 8.830
73 1HB LYS 11 2HB LYS 11 -13.468 1.981 9.295
74 2HB LYS 11 1HB LYS 11 -14.327 2.955 8.111
75 1HG LYS 11 2HG LYS 11 -16.273 3.045 9.529
76 2HG LYS 11 1HG LYS 11 -15.513 1.955 10.690
77 1HD LYS 11 2HD LYS 11 -13.992 4.391 10.001
78 2HD LYS 11 1HD LYS 11 -15.478 4.636 10.919
79 1HE LYS 11 2HE LYS 11 -13.705 2.470 11.858
80 2HE LYS 11 1HE LYS 11 -13.092 4.112 12.049
81 1HZ LYS 11 1HZ LYS 11 -15.827 3.463 12.922
82 2HZ LYS 11 2HZ LYS 11 -14.785 4.673 13.480
83 3HZ LYS 11 3HZ LYS 11 -14.514 3.059 13.910
84 H SER 12 H SER 12 -17.132 0.098 7.216
85 HA SER 12 HA SER 12 -18.449 0.641 5.421
86 1HB SER 12 2HB SER 12 -16.829 2.927 5.576
87 2HB SER 12 1HB SER 12 -16.759 2.399 3.898
88 HG SER 12 HG SER 12 -18.716 3.091 3.657
89 H GLY 13 H GLY 13 -14.964 0.396 4.640
90 1HA GLY 13 2HA GLY 13 -15.150 -2.003 3.284
91 2HA GLY 13 1HA GLY 13 -15.449 -0.765 2.077
92 H CYS 14 H CYS 14 -13.675 -0.742 0.861
93 HA CYS 14 HA CYS 14 -11.040 -0.899 2.089
94 1HB CYS 14 2HB CYS 14 -12.010 -1.072 -0.726
95 2HB CYS 14 1HB CYS 14 -10.315 -0.801 -0.358
96 H SER 15 H SER 15 -9.736 0.670 2.402
97 HA SER 15 HA SER 15 -10.083 3.194 0.968
98 1HB SER 15 2HB SER 15 -10.111 4.533 2.972
99 2HB SER 15 1HB SER 15 -11.390 3.329 3.117
100 HG SER 15 HG SER 15 -10.410 3.045 4.987
101 H VAL 16 H VAL 16 -8.254 4.749 1.721
102 HA VAL 16 HA VAL 16 -5.784 3.215 2.181
103 HB VAL 16 HB VAL 16 -6.064 5.458 0.175
104 1HG1 VAL 16 1HG1 VAL 16 -3.737 4.042 -0.329
105 2HG1 VAL 16 2HG1 VAL 16 -3.795 4.168 1.425
106 3HG1 VAL 16 3HG1 VAL 16 -3.862 5.619 0.435
107 1HG2 VAL 16 1HG2 VAL 16 -6.164 2.519 -0.103
108 2HG2 VAL 16 2HG2 VAL 16 -5.321 3.455 -1.347
109 3HG2 VAL 16 3HG2 VAL 16 -7.024 3.777 -0.996
110 H ASN 17 H ASN 17 -4.687 3.989 3.862
111 HA ASN 17 HA ASN 17 -5.389 6.465 5.101
112 1HB ASN 17 2HB ASN 17 -3.785 4.160 5.762
113 2HB ASN 17 1HB ASN 17 -2.867 5.632 6.075
114 1HD2 ASN 17 1HD2 ASN 17 -3.045 6.288 8.072
115 2HD2 ASN 17 2HD2 ASN 17 -4.447 6.163 9.073
116 H TRP 18 H TRP 18 -3.422 5.595 2.524
117 HA TRP 18 HA TRP 18 -1.982 6.665 1.173
118 1HB TRP 18 2HB TRP 18 -3.309 8.999 2.531
119 2HB TRP 18 1HB TRP 18 -2.079 9.222 1.282
120 HD1 TRP 18 HD TRP 18 -5.707 8.858 1.605
121 HE1 TRP 18 1HE TRP 18 -6.780 8.227 -0.638
122 HE3 TRP 18 3HE TRP 18 -1.509 7.503 -0.921
123 HZ2 TRP 18 2HZ TRP 18 -5.955 7.265 -3.143
124 HZ3 TRP 18 3HZ TRP 18 -1.732 6.723 -3.248
125 HH2 TRP 18 HH TRP 18 -3.918 6.592 -4.320
126 H GLY 19 H GLY 19 -1.714 8.467 4.278
127 1HA GLY 19 2HA GLY 19 1.049 8.850 4.045
128 2HA GLY 19 1HA GLY 19 0.171 8.792 5.576
129 H GLU 20 H GLU 20 -0.825 6.071 4.978
130 HA GLU 20 HA GLU 20 1.361 4.577 6.096
131 1HB GLU 20 2HB GLU 20 -1.499 4.093 5.493
132 2HB GLU 20 1HB GLU 20 -0.470 2.678 5.372
133 1HG GLU 20 2HG GLU 20 -0.236 4.388 7.787
134 2HG GLU 20 1HG GLU 20 -1.643 3.337 7.625
135 H ALA 21 H ALA 21 -0.310 4.803 3.005
136 HA ALA 21 HA ALA 21 1.176 2.768 1.666
137 1HB ALA 21 1HB ALA 21 0.068 3.504 -0.278
138 2HB ALA 21 2HB ALA 21 -0.176 5.122 0.386
139 3HB ALA 21 3HB ALA 21 -1.084 3.757 1.032
140 H PHE 22 H PHE 22 1.496 6.222 2.139
141 HA PHE 22 HA PHE 22 3.495 6.797 0.259
142 1HB PHE 22 2HB PHE 22 2.219 8.501 1.570
143 2HB PHE 22 1HB PHE 22 3.108 8.013 3.009
144 HD1 PHE 22 1HD PHE 22 3.085 10.104 0.113
145 HD2 PHE 22 2HD PHE 22 5.635 8.288 2.995
146 HE1 PHE 22 1HE PHE 22 4.866 11.703 -0.459
147 HE2 PHE 22 2HE PHE 22 7.421 9.883 2.427
148 HZ PHE 22 HZ PHE 22 7.036 11.593 0.697
149 H SER 23 H SER 23 3.514 5.492 3.486
150 HA SER 23 HA SER 23 6.337 5.501 3.879
151 1HB SER 23 2HB SER 23 4.430 5.176 5.626
152 2HB SER 23 1HB SER 23 4.493 3.481 5.142
153 HG SER 23 HG SER 23 5.942 3.557 6.731
154 H ALA 24 H ALA 24 4.035 3.357 2.390
155 HA ALA 24 HA ALA 24 5.792 1.121 2.073
156 1HB ALA 24 1HB ALA 24 3.426 1.642 0.316
157 2HB ALA 24 2HB ALA 24 3.199 1.215 2.012
158 3HB ALA 24 3HB ALA 24 4.041 0.106 0.929
159 H GLY 25 H GLY 25 4.664 3.737 -0.032
160 1HA GLY 25 2HA GLY 25 6.098 2.935 -2.336
161 2HA GLY 25 1HA GLY 25 5.453 4.542 -2.032
162 H VAL 26 H VAL 26 6.980 4.899 0.444
163 HA VAL 26 HA VAL 26 9.341 6.017 -0.694
164 HB VAL 26 HB VAL 26 8.620 5.568 2.220
165 1HG1 VAL 26 1HG1 VAL 26 10.356 7.458 2.494
166 2HG1 VAL 26 2HG1 VAL 26 10.929 6.951 0.905
167 3HG1 VAL 26 3HG1 VAL 26 10.934 5.809 2.249
168 1HG2 VAL 26 1HG2 VAL 26 7.427 7.264 0.444
169 2HG2 VAL 26 2HG2 VAL 26 8.676 8.292 1.147
170 3HG2 VAL 26 3HG2 VAL 26 7.493 7.504 2.189
171 H HIS 27 H HIS 27 8.645 3.058 1.104
172 HA HIS 27 HA HIS 27 11.312 2.292 1.578
173 1HB HIS 27 2HB HIS 27 8.859 0.563 1.145
174 2HB HIS 27 1HB HIS 27 10.392 -0.005 1.796
175 HD1 HIS 27 1HD HIS 27 9.870 3.233 3.138
176 HD2 HIS 27 2HD HIS 27 8.392 -0.554 3.982
177 HE1 HIS 27 1HE HIS 27 8.966 3.370 5.465
178 HE2 HIS 27 2HE HIS 27 7.995 1.097 5.935
179 H ARG 28 H ARG 28 9.087 1.529 -1.083
180 HA ARG 28 HA ARG 28 10.971 0.028 -2.587
181 1HB ARG 28 2HB ARG 28 8.335 1.327 -3.224
182 2HB ARG 28 1HB ARG 28 9.292 0.557 -4.482
183 1HG ARG 28 2HG ARG 28 8.985 -1.160 -2.173
184 2HG ARG 28 1HG ARG 28 7.429 -0.653 -2.832
185 1HD ARG 28 2HD ARG 28 8.403 -2.774 -3.798
186 2HD ARG 28 1HD ARG 28 7.933 -1.537 -4.964
187 HE ARG 28 HE ARG 28 10.685 -1.350 -4.203
188 1HH1 ARG 28 1HH1 ARG 28 8.443 -3.006 -6.303
189 2HH1 ARG 28 2HH1 ARG 28 9.645 -3.393 -7.487
190 1HH2 ARG 28 1HH2 ARG 28 12.267 -1.857 -5.760
191 2HH2 ARG 28 2HH2 ARG 28 11.817 -2.742 -7.179
192 H LEU 29 H LEU 29 9.918 3.403 -2.670
193 HA LEU 29 HA LEU 29 11.419 4.116 -4.968
194 1HB LEU 29 2HB LEU 29 9.521 5.423 -4.430
195 2HB LEU 29 1HB LEU 29 10.095 5.710 -2.799
196 HG LEU 29 HG LEU 29 11.867 7.149 -3.635
197 1HD1 LEU 29 1HD1 LEU 29 12.052 7.717 -5.984
198 2HD1 LEU 29 2HD1 LEU 29 10.727 6.622 -6.378
199 3HD1 LEU 29 3HD1 LEU 29 12.251 5.979 -5.766
200 1HD2 LEU 29 1HD2 LEU 29 9.082 7.734 -4.589
201 2HD2 LEU 29 2HD2 LEU 29 10.391 8.910 -4.714
202 3HD2 LEU 29 3HD2 LEU 29 9.892 8.310 -3.133
203 H ALA 30 H ALA 30 11.959 4.519 -1.521
204 HA ALA 30 HA ALA 30 14.403 5.931 -1.774
205 1HB ALA 30 1HB ALA 30 12.791 5.915 0.183
206 2HB ALA 30 2HB ALA 30 14.513 5.855 0.567
207 3HB ALA 30 3HB ALA 30 13.537 4.385 0.645
208 H ASN 31 H ASN 31 13.621 2.508 -1.476
209 HA ASN 31 HA ASN 31 16.379 1.783 -1.022
210 1HB ASN 31 2HB ASN 31 14.190 0.539 -0.246
211 2HB ASN 31 1HB ASN 31 14.316 -0.228 -1.828
212 1HD2 ASN 31 1HD2 ASN 31 14.583 -1.364 0.841
213 2HD2 ASN 31 2HD2 ASN 31 16.147 -2.093 0.898
214 H GLY 32 H GLY 32 14.295 2.239 -3.733
215 1HA GLY 32 2HA GLY 32 16.516 1.596 -5.515
216 2HA GLY 32 1HA GLY 32 15.031 0.685 -5.749
217 H GLY 33 H GLY 33 13.580 1.500 -7.116
218 1HA GLY 33 2HA GLY 33 12.408 3.014 -8.392
219 2HA GLY 33 1HA GLY 33 13.018 4.281 -7.338
220 H ASN 34 H ASN 34 15.460 4.722 -7.693
221 HA ASN 34 HA ASN 34 16.311 4.382 -10.448
222 1HB ASN 34 2HB ASN 34 15.304 6.940 -9.342
223 2HB ASN 34 1HB ASN 34 16.790 7.033 -10.281
224 1HD2 ASN 34 1HD2 ASN 34 14.260 8.161 -10.954
225 2HD2 ASN 34 2HD2 ASN 34 13.753 7.434 -12.437
226 H GLY 35 H GLY 35 18.081 3.257 -9.648
227 1HA GLY 35 2HA GLY 35 19.724 4.089 -7.527
228 2HA GLY 35 1HA GLY 35 20.201 2.984 -8.809
229 H PHE 36 H PHE 36 22.296 3.864 -8.864
230 HA PHE 36 HA PHE 36 22.566 6.104 -10.645
231 1HB PHE 36 2HB PHE 36 23.574 6.330 -7.796
232 2HB PHE 36 1HB PHE 36 24.073 7.395 -9.106
233 HD1 PHE 36 1HD PHE 36 21.431 6.540 -6.764
234 HD2 PHE 36 2HD PHE 36 22.494 8.989 -10.078
235 HE1 PHE 36 1HE PHE 36 19.492 7.986 -6.312
236 HE2 PHE 36 2HE PHE 36 20.557 10.439 -9.632
237 HZ PHE 36 HZ PHE 36 19.053 9.938 -7.748
238 H TRP 37 H TRP 37 24.724 6.332 -11.458
239 HA TRP 37 HA TRP 37 26.144 3.837 -11.548
240 1HB TRP 37 2HB TRP 37 25.882 6.033 -13.241
241 2HB TRP 37 1HB TRP 37 27.560 6.103 -12.710
242 HD1 TRP 37 HD TRP 37 29.076 4.923 -14.387
243 HE1 TRP 37 1HE TRP 37 28.910 2.843 -15.892
244 HE3 TRP 37 3HE TRP 37 24.320 3.452 -13.221
245 HZ2 TRP 37 2HZ TRP 37 27.016 0.843 -16.505
246 HZ3 TRP 37 3HZ TRP 37 23.406 1.445 -14.311
247 HH2 TRP 37 HH TRP 37 24.728 0.169 -15.919
Start of MODEL 9
1 HA LYS 1 HA LYS 1 -7.127 -6.293 6.834
2 1HB LYS 1 2HB LYS 1 -7.564 -7.323 4.649
3 2HB LYS 1 1HB LYS 1 -9.032 -7.247 5.612
4 1HG LYS 1 2HG LYS 1 -9.663 -5.194 4.341
5 2HG LYS 1 1HG LYS 1 -8.271 -5.484 3.296
6 1HD LYS 1 2HD LYS 1 -9.812 -6.598 2.065
7 2HD LYS 1 1HD LYS 1 -9.404 -7.904 3.179
8 1HE LYS 1 2HE LYS 1 -11.496 -7.965 3.926
9 2HE LYS 1 1HE LYS 1 -11.420 -6.260 4.361
10 1HZ LYS 1 1HZ LYS 1 -11.729 -6.211 1.664
11 2HZ LYS 1 2HZ LYS 1 -12.964 -5.988 2.797
12 3HZ LYS 1 3HZ LYS 1 -12.702 -7.517 2.124
13 H TYR 2 H TYR 2 -5.111 -5.425 6.613
14 HA TYR 2 HA TYR 2 -4.662 -3.226 4.819
15 1HB TYR 2 2HB TYR 2 -3.421 -4.099 7.111
16 2HB TYR 2 1HB TYR 2 -2.265 -4.537 5.854
17 HD1 TYR 2 1HD TYR 2 -0.864 -2.865 4.925
18 HD2 TYR 2 2HD TYR 2 -4.307 -1.784 7.123
19 HE1 TYR 2 1HE TYR 2 -0.168 -0.539 4.829
20 HE2 TYR 2 2HE TYR 2 -3.607 0.565 7.068
21 HH TYR 2 HH TYR 2 -0.667 1.546 6.474
22 H TYR 3 H TYR 3 -3.597 -3.280 2.874
23 HA TYR 3 HA TYR 3 -3.101 -5.973 1.766
24 1HB TYR 3 2HB TYR 3 -4.108 -3.417 0.595
25 2HB TYR 3 1HB TYR 3 -3.233 -4.533 -0.449
26 HD1 TYR 3 1HD TYR 3 -6.392 -3.723 0.949
27 HD2 TYR 3 2HD TYR 3 -4.069 -6.987 -0.470
28 HE1 TYR 3 1HE TYR 3 -8.448 -5.030 0.611
29 HE2 TYR 3 2HE TYR 3 -6.119 -8.308 -0.804
30 HH TYR 3 HH TYR 3 -9.125 -7.022 -0.922
31 H GLY 4 H GLY 4 -1.156 -4.630 3.380
32 1HA GLY 4 2HA GLY 4 1.038 -3.932 3.375
33 2HA GLY 4 1HA GLY 4 1.191 -5.077 2.047
34 H ASN 5 H ASN 5 -0.931 -2.401 1.607
35 HA ASN 5 HA ASN 5 1.083 -0.755 0.297
36 1HB ASN 5 2HB ASN 5 -1.236 -2.081 -1.109
37 2HB ASN 5 1HB ASN 5 -0.513 -0.597 -1.723
38 1HD2 ASN 5 1HD2 ASN 5 -0.137 -3.993 -1.284
39 2HD2 ASN 5 2HD2 ASN 5 1.320 -4.168 -2.195
40 H GLY 6 H GLY 6 -0.206 -0.197 2.644
41 1HA GLY 6 2HA GLY 6 -1.637 1.268 3.699
42 2HA GLY 6 1HA GLY 6 -1.204 2.328 2.371
43 H VAL 7 H VAL 7 -3.173 -0.627 2.578
44 HA VAL 7 HA VAL 7 -5.551 0.882 1.784
45 HB VAL 7 HB VAL 7 -4.412 -1.381 0.151
46 1HG1 VAL 7 1HG1 VAL 7 -6.667 -1.995 0.474
47 2HG1 VAL 7 2HG1 VAL 7 -6.621 -1.173 -1.087
48 3HG1 VAL 7 3HG1 VAL 7 -7.206 -0.322 0.348
49 1HG2 VAL 7 1HG2 VAL 7 -5.655 0.891 -1.172
50 2HG2 VAL 7 2HG2 VAL 7 -4.068 0.160 -1.436
51 3HG2 VAL 7 3HG2 VAL 7 -4.290 1.352 -0.157
52 H HIS 8 H HIS 8 -6.884 0.404 3.371
53 HA HIS 8 HA HIS 8 -7.182 -2.419 4.110
54 1HB HIS 8 2HB HIS 8 -8.140 -0.993 6.291
55 2HB HIS 8 1HB HIS 8 -6.598 -1.835 6.201
56 HD1 HIS 8 1HD HIS 8 -7.759 1.217 7.313
57 HD2 HIS 8 2HD HIS 8 -4.697 0.140 4.722
58 HE1 HIS 8 1HE HIS 8 -6.194 3.182 7.281
59 HE2 HIS 8 2HE HIS 8 -4.289 2.461 5.796
60 H CYS 9 H CYS 9 -9.200 -3.227 4.227
61 HA CYS 9 HA CYS 9 -11.333 -1.385 3.448
62 1HB CYS 9 2HB CYS 9 -11.344 -4.378 3.099
63 2HB CYS 9 1HB CYS 9 -12.474 -3.215 2.418
64 H THR 10 H THR 10 -12.112 -0.706 5.348
65 HA THR 10 HA THR 10 -12.685 -2.651 7.451
66 HB THR 10 HB THR 10 -13.050 -0.727 8.888
67 HG1 THR 10 1HG THR 10 -12.957 0.684 6.453
68 1HG2 THR 10 1HG2 THR 10 -10.694 0.222 7.365
69 2HG2 THR 10 2HG2 THR 10 -10.639 -1.397 8.060
70 3HG2 THR 10 3HG2 THR 10 -10.912 -0.001 9.101
71 H LYS 11 H LYS 11 -14.785 -1.444 8.728
72 HA LYS 11 HA LYS 11 -16.981 -2.549 7.424
73 1HB LYS 11 2HB LYS 11 -18.270 -1.767 9.226
74 2HB LYS 11 1HB LYS 11 -16.665 -2.030 9.894
75 1HG LYS 11 2HG LYS 11 -17.667 0.661 8.998
76 2HG LYS 11 1HG LYS 11 -17.811 0.058 10.650
77 1HD LYS 11 2HD LYS 11 -15.319 -0.262 10.645
78 2HD LYS 11 1HD LYS 11 -15.281 0.595 9.102
79 1HE LYS 11 2HE LYS 11 -14.789 2.155 10.858
80 2HE LYS 11 1HE LYS 11 -16.386 2.522 10.209
81 1HZ LYS 11 1HZ LYS 11 -15.641 1.775 12.858
82 2HZ LYS 11 2HZ LYS 11 -16.855 0.764 12.254
83 3HZ LYS 11 3HZ LYS 11 -17.094 2.437 12.297
84 H SER 12 H SER 12 -15.454 0.463 6.916
85 HA SER 12 HA SER 12 -17.821 1.628 5.660
86 1HB SER 12 2HB SER 12 -15.964 3.511 5.262
87 2HB SER 12 1HB SER 12 -16.828 3.359 6.793
88 HG SER 12 HG SER 12 -14.952 3.056 7.662
89 H GLY 13 H GLY 13 -15.583 -0.539 4.769
90 1HA GLY 13 2HA GLY 13 -15.547 -1.327 2.493
91 2HA GLY 13 1HA GLY 13 -15.658 0.345 1.960
92 H CYS 14 H CYS 14 -13.794 -0.084 0.609
93 HA CYS 14 HA CYS 14 -11.266 -0.516 1.998
94 1HB CYS 14 2HB CYS 14 -11.840 -0.226 -0.940
95 2HB CYS 14 1HB CYS 14 -10.270 -0.581 -0.230
96 H SER 15 H SER 15 -9.842 0.945 2.447
97 HA SER 15 HA SER 15 -10.086 3.606 1.234
98 1HB SER 15 2HB SER 15 -9.486 3.602 4.132
99 2HB SER 15 1HB SER 15 -10.458 4.726 3.182
100 HG SER 15 HG SER 15 -12.021 2.914 3.083
101 H VAL 16 H VAL 16 -8.168 5.023 2.119
102 HA VAL 16 HA VAL 16 -5.752 3.381 2.360
103 HB VAL 16 HB VAL 16 -6.080 5.605 0.344
104 1HG1 VAL 16 1HG1 VAL 16 -3.737 4.263 1.509
105 2HG1 VAL 16 2HG1 VAL 16 -3.884 5.854 0.775
106 3HG1 VAL 16 3HG1 VAL 16 -3.726 4.425 -0.244
107 1HG2 VAL 16 1HG2 VAL 16 -6.107 2.660 0.174
108 2HG2 VAL 16 2HG2 VAL 16 -5.253 3.545 -1.098
109 3HG2 VAL 16 3HG2 VAL 16 -6.967 3.862 -0.798
110 H ASN 17 H ASN 17 -4.462 4.094 3.922
111 HA ASN 17 HA ASN 17 -4.987 6.521 5.321
112 1HB ASN 17 2HB ASN 17 -3.461 4.178 5.773
113 2HB ASN 17 1HB ASN 17 -2.343 5.537 5.866
114 1HD2 ASN 17 1HD2 ASN 17 -2.542 7.015 7.507
115 2HD2 ASN 17 2HD2 ASN 17 -3.562 6.767 8.878
116 H TRP 18 H TRP 18 -3.098 5.622 2.632
117 HA TRP 18 HA TRP 18 -1.798 6.732 1.172
118 1HB TRP 18 2HB TRP 18 -3.054 9.078 2.592
119 2HB TRP 18 1HB TRP 18 -1.924 9.280 1.247
120 HD1 TRP 18 HD TRP 18 -5.519 8.825 1.891
121 HE1 TRP 18 1HE TRP 18 -6.757 8.166 -0.264
122 HE3 TRP 18 3HE TRP 18 -1.504 7.658 -0.987
123 HZ2 TRP 18 2HZ TRP 18 -6.101 7.257 -2.854
124 HZ3 TRP 18 3HZ TRP 18 -1.878 6.892 -3.301
125 HH2 TRP 18 HH TRP 18 -4.136 6.687 -4.203
126 H GLY 19 H GLY 19 -1.415 8.585 4.221
127 1HA GLY 19 2HA GLY 19 1.337 8.954 3.873
128 2HA GLY 19 1HA GLY 19 0.515 8.953 5.437
129 H GLU 20 H GLU 20 -0.514 6.210 4.947
130 HA GLU 20 HA GLU 20 1.713 4.752 6.030
131 1HB GLU 20 2HB GLU 20 -1.113 3.951 5.286
132 2HB GLU 20 1HB GLU 20 0.076 2.794 5.886
133 1HG GLU 20 2HG GLU 20 0.339 4.318 7.895
134 2HG GLU 20 1HG GLU 20 -1.090 5.167 7.319
135 H ALA 21 H ALA 21 -0.090 4.854 3.005
136 HA ALA 21 HA ALA 21 1.334 2.741 1.713
137 1HB ALA 21 1HB ALA 21 -0.908 3.530 1.027
138 2HB ALA 21 2HB ALA 21 0.254 3.557 -0.300
139 3HB ALA 21 3HB ALA 21 -0.184 5.054 0.524
140 H PHE 22 H PHE 22 1.635 6.219 1.964
141 HA PHE 22 HA PHE 22 3.582 6.682 0.002
142 1HB PHE 22 2HB PHE 22 2.285 8.439 1.225
143 2HB PHE 22 1HB PHE 22 3.234 8.090 2.666
144 HD1 PHE 22 1HD PHE 22 5.724 8.469 2.581
145 HD2 PHE 22 2HD PHE 22 3.067 9.922 -0.406
146 HE1 PHE 22 1HE PHE 22 7.433 10.078 1.852
147 HE2 PHE 22 2HE PHE 22 4.772 11.537 -1.141
148 HZ PHE 22 HZ PHE 22 6.959 11.616 -0.013
149 H SER 23 H SER 23 3.719 5.643 3.334
150 HA SER 23 HA SER 23 6.568 5.697 3.595
151 1HB SER 23 2HB SER 23 5.062 5.682 5.563
152 2HB SER 23 1HB SER 23 4.533 4.054 5.136
153 HG SER 23 HG SER 23 7.206 4.800 5.739
154 H ALA 24 H ALA 24 4.228 3.452 2.355
155 HA ALA 24 HA ALA 24 5.975 1.182 2.241
156 1HB ALA 24 1HB ALA 24 3.371 1.285 2.241
157 2HB ALA 24 2HB ALA 24 4.192 0.049 1.285
158 3HB ALA 24 3HB ALA 24 3.563 1.501 0.502
159 H GLY 25 H GLY 25 4.721 3.519 -0.113
160 1HA GLY 25 2HA GLY 25 6.105 2.504 -2.346
161 2HA GLY 25 1HA GLY 25 5.471 4.137 -2.193
162 H VAL 26 H VAL 26 7.031 4.878 0.109
163 HA VAL 26 HA VAL 26 9.368 5.802 -1.201
164 HB VAL 26 HB VAL 26 8.767 5.696 1.776
165 1HG1 VAL 26 1HG1 VAL 26 10.909 7.116 0.210
166 2HG1 VAL 26 2HG1 VAL 26 11.112 5.967 1.532
167 3HG1 VAL 26 3HG1 VAL 26 10.455 7.573 1.850
168 1HG2 VAL 26 1HG2 VAL 26 8.671 8.251 0.321
169 2HG2 VAL 26 2HG2 VAL 26 7.617 7.618 1.586
170 3HG2 VAL 26 3HG2 VAL 26 7.398 7.100 -0.085
171 H HIS 27 H HIS 27 8.791 3.119 1.060
172 HA HIS 27 HA HIS 27 11.495 2.429 1.432
173 1HB HIS 27 2HB HIS 27 9.053 0.630 1.408
174 2HB HIS 27 1HB HIS 27 10.638 0.175 2.022
175 HD1 HIS 27 1HD HIS 27 10.117 3.558 2.962
176 HD2 HIS 27 2HD HIS 27 8.807 -0.114 4.393
177 HE1 HIS 27 1HE HIS 27 9.341 3.988 5.299
178 HE2 HIS 27 2HE HIS 27 8.672 1.733 6.199
179 H ARG 28 H ARG 28 9.199 1.851 -1.118
180 HA ARG 28 HA ARG 28 10.782 -0.058 -2.552
181 1HB ARG 28 2HB ARG 28 8.321 0.051 -2.743
182 2HB ARG 28 1HB ARG 28 8.459 1.635 -3.491
183 1HG ARG 28 2HG ARG 28 8.295 0.411 -5.373
184 2HG ARG 28 1HG ARG 28 10.038 0.263 -5.142
185 1HD ARG 28 2HD ARG 28 9.269 -1.923 -5.564
186 2HD ARG 28 1HD ARG 28 9.542 -1.845 -3.824
187 HE ARG 28 HE ARG 28 6.854 -1.201 -4.443
188 1HH1 ARG 28 1HH1 ARG 28 9.049 -3.905 -4.231
189 2HH1 ARG 28 2HH1 ARG 28 7.799 -5.052 -3.882
190 1HH2 ARG 28 1HH2 ARG 28 5.210 -2.708 -3.982
191 2HH2 ARG 28 2HH2 ARG 28 5.620 -4.373 -3.741
192 H LEU 29 H LEU 29 9.962 3.377 -3.117
193 HA LEU 29 HA LEU 29 11.712 3.663 -5.332
194 1HB LEU 29 2HB LEU 29 10.837 5.999 -3.714
195 2HB LEU 29 1HB LEU 29 11.042 5.865 -5.448
196 HG LEU 29 HG LEU 29 8.779 4.796 -3.792
197 1HD1 LEU 29 1HD1 LEU 29 8.796 7.203 -4.388
198 2HD1 LEU 29 2HD1 LEU 29 7.424 6.304 -5.040
199 3HD1 LEU 29 3HD1 LEU 29 8.779 6.731 -6.087
200 1HD2 LEU 29 1HD2 LEU 29 9.765 3.986 -6.432
201 2HD2 LEU 29 2HD2 LEU 29 8.037 4.334 -6.346
202 3HD2 LEU 29 3HD2 LEU 29 8.748 3.120 -5.281
203 H ALA 30 H ALA 30 11.880 4.730 -2.002
204 HA ALA 30 HA ALA 30 14.358 6.043 -2.188
205 1HB ALA 30 1HB ALA 30 13.340 4.827 0.346
206 2HB ALA 30 2HB ALA 30 12.533 6.205 -0.399
207 3HB ALA 30 3HB ALA 30 14.218 6.339 0.112
208 H ASN 31 H ASN 31 13.817 2.748 -2.434
209 HA ASN 31 HA ASN 31 16.183 1.915 -0.999
210 1HB ASN 31 2HB ASN 31 14.187 0.448 -1.166
211 2HB ASN 31 1HB ASN 31 14.456 0.318 -2.902
212 1HD2 ASN 31 1HD2 ASN 31 16.118 -0.943 -3.663
213 2HD2 ASN 31 2HD2 ASN 31 17.007 -2.031 -2.659
214 H GLY 32 H GLY 32 15.366 2.940 -4.191
215 1HA GLY 32 2HA GLY 32 17.521 1.684 -5.568
216 2HA GLY 32 1HA GLY 32 16.566 3.036 -6.154
217 H GLY 33 H GLY 33 17.140 5.197 -5.381
218 1HA GLY 33 2HA GLY 33 19.213 6.020 -3.864
219 2HA GLY 33 1HA GLY 33 20.018 5.502 -5.337
220 H ASN 34 H ASN 34 18.560 8.070 -3.773
221 HA ASN 34 HA ASN 34 17.754 9.462 -6.198
222 1HB ASN 34 2HB ASN 34 16.412 9.620 -4.090
223 2HB ASN 34 1HB ASN 34 17.758 10.486 -3.352
224 1HD2 ASN 34 1HD2 ASN 34 15.113 10.648 -5.553
225 2HD2 ASN 34 2HD2 ASN 34 15.202 12.343 -5.871
226 H GLY 35 H GLY 35 20.416 9.349 -3.964
227 1HA GLY 35 2HA GLY 35 22.581 10.141 -4.500
228 2HA GLY 35 1HA GLY 35 21.865 11.252 -5.659
229 H PHE 36 H PHE 36 21.958 13.324 -5.083
230 HA PHE 36 HA PHE 36 21.272 14.196 -2.447
231 1HB PHE 36 2HB PHE 36 23.468 15.331 -2.010
232 2HB PHE 36 1HB PHE 36 23.519 13.573 -1.901
233 HD1 PHE 36 1HD PHE 36 24.581 16.497 -3.796
234 HD2 PHE 36 2HD PHE 36 24.686 12.262 -3.534
235 HE1 PHE 36 1HE PHE 36 26.428 16.454 -5.424
236 HE2 PHE 36 2HE PHE 36 26.540 12.200 -5.160
237 HZ PHE 36 HZ PHE 36 27.411 14.301 -6.106
238 H TRP 37 H TRP 37 20.127 14.779 -4.860
239 HA TRP 37 HA TRP 37 20.296 17.638 -4.885
240 1HB TRP 37 2HB TRP 37 22.183 16.714 -6.445
241 2HB TRP 37 1HB TRP 37 20.857 16.401 -7.559
242 HD1 TRP 37 HD TRP 37 22.977 19.194 -6.140
243 HE1 TRP 37 1HE TRP 37 22.399 21.394 -7.343
244 HE3 TRP 37 3HE TRP 37 18.841 17.649 -8.720
245 HZ2 TRP 37 2HZ TRP 37 20.450 22.349 -9.147
246 HZ3 TRP 37 3HZ TRP 37 17.679 19.269 -10.161
247 HH2 TRP 37 HH TRP 37 18.467 21.570 -10.368
Start of MODEL 10
1 HA LYS 1 HA LYS 1 -7.057 -5.892 7.358
2 1HB LYS 1 2HB LYS 1 -7.433 -6.878 5.117
3 2HB LYS 1 1HB LYS 1 -8.877 -6.931 6.120
4 1HG LYS 1 2HG LYS 1 -9.413 -4.672 4.891
5 2HG LYS 1 1HG LYS 1 -8.308 -5.329 3.682
6 1HD LYS 1 2HD LYS 1 -10.770 -6.707 4.754
7 2HD LYS 1 1HD LYS 1 -10.637 -5.907 3.186
8 1HE LYS 1 2HE LYS 1 -9.105 -7.505 2.386
9 2HE LYS 1 1HE LYS 1 -8.799 -8.138 4.003
10 1HZ LYS 1 1HZ LYS 1 -11.348 -8.659 3.881
11 2HZ LYS 1 2HZ LYS 1 -10.214 -9.713 3.200
12 3HZ LYS 1 3HZ LYS 1 -11.064 -8.634 2.213
13 H TYR 2 H TYR 2 -5.084 -4.953 7.184
14 HA TYR 2 HA TYR 2 -4.659 -2.766 5.361
15 1HB TYR 2 2HB TYR 2 -3.485 -3.549 7.729
16 2HB TYR 2 1HB TYR 2 -2.250 -3.908 6.523
17 HD1 TYR 2 1HD TYR 2 -4.494 -1.305 7.751
18 HD2 TYR 2 2HD TYR 2 -0.976 -2.162 5.579
19 HE1 TYR 2 1HE TYR 2 -3.950 1.099 7.705
20 HE2 TYR 2 2HE TYR 2 -0.421 0.216 5.488
21 HH TYR 2 HH TYR 2 -1.874 2.507 7.453
22 H TYR 3 H TYR 3 -3.510 -2.825 3.457
23 HA TYR 3 HA TYR 3 -2.880 -5.524 2.441
24 1HB TYR 3 2HB TYR 3 -3.880 -3.015 1.183
25 2HB TYR 3 1HB TYR 3 -2.858 -4.063 0.200
26 HD1 TYR 3 1HD TYR 3 -6.157 -3.456 1.373
27 HD2 TYR 3 2HD TYR 3 -3.551 -6.537 0.050
28 HE1 TYR 3 1HE TYR 3 -8.104 -4.872 0.882
29 HE2 TYR 3 2HE TYR 3 -5.486 -7.973 -0.438
30 HH TYR 3 HH TYR 3 -8.491 -6.941 -0.822
31 H GLY 4 H GLY 4 -1.052 -4.130 4.158
32 1HA GLY 4 2HA GLY 4 1.119 -3.367 4.267
33 2HA GLY 4 1HA GLY 4 1.383 -4.594 3.034
34 H ASN 5 H ASN 5 -0.704 -1.922 2.323
35 HA ASN 5 HA ASN 5 1.398 -0.399 0.995
36 1HB ASN 5 2HB ASN 5 -0.816 -1.883 -0.386
37 2HB ASN 5 1HB ASN 5 -0.274 -0.344 -1.046
38 1HD2 ASN 5 1HD2 ASN 5 -0.071 -3.177 -1.988
39 2HD2 ASN 5 2HD2 ASN 5 1.603 -3.396 -2.350
40 H GLY 6 H GLY 6 -0.308 0.069 3.287
41 1HA GLY 6 2HA GLY 6 -1.669 1.706 4.151
42 2HA GLY 6 1HA GLY 6 -1.118 2.689 2.805
43 H VAL 7 H VAL 7 -3.142 -0.220 3.034
44 HA VAL 7 HA VAL 7 -5.445 1.249 2.010
45 HB VAL 7 HB VAL 7 -4.146 -0.998 0.494
46 1HG1 VAL 7 1HG1 VAL 7 -6.995 -0.094 0.555
47 2HG1 VAL 7 2HG1 VAL 7 -6.368 -1.739 0.677
48 3HG1 VAL 7 3HG1 VAL 7 -6.307 -0.883 -0.865
49 1HG2 VAL 7 1HG2 VAL 7 -4.144 1.732 0.158
50 2HG2 VAL 7 2HG2 VAL 7 -5.430 1.195 -0.920
51 3HG2 VAL 7 3HG2 VAL 7 -3.798 0.543 -1.097
52 H HIS 8 H HIS 8 -6.798 0.819 3.595
53 HA HIS 8 HA HIS 8 -7.136 -1.985 4.391
54 1HB HIS 8 2HB HIS 8 -8.364 -0.369 6.338
55 2HB HIS 8 1HB HIS 8 -6.883 -1.303 6.509
56 HD1 HIS 8 1HD HIS 8 -7.884 1.815 7.405
57 HD2 HIS 8 2HD HIS 8 -4.758 0.529 4.986
58 HE1 HIS 8 1HE HIS 8 -6.225 3.704 7.392
59 HE2 HIS 8 2HE HIS 8 -4.289 2.846 6.034
60 H CYS 9 H CYS 9 -9.284 -2.665 4.891
61 HA CYS 9 HA CYS 9 -11.343 -1.027 3.620
62 1HB CYS 9 2HB CYS 9 -11.339 -4.019 3.399
63 2HB CYS 9 1HB CYS 9 -12.253 -2.848 2.459
64 H THR 10 H THR 10 -11.801 -0.334 5.715
65 HA THR 10 HA THR 10 -12.850 -2.328 7.576
66 HB THR 10 HB THR 10 -12.535 -0.802 9.283
67 HG1 THR 10 1HG THR 10 -12.960 1.167 7.314
68 1HG2 THR 10 1HG2 THR 10 -10.341 -1.204 8.241
69 2HG2 THR 10 2HG2 THR 10 -10.456 0.370 9.031
70 3HG2 THR 10 3HG2 THR 10 -10.564 0.255 7.275
71 H LYS 11 H LYS 11 -14.870 -2.703 7.893
72 HA LYS 11 HA LYS 11 -17.106 -2.295 8.220
73 1HB LYS 11 2HB LYS 11 -16.796 0.244 6.613
74 2HB LYS 11 1HB LYS 11 -18.213 -0.263 7.510
75 1HG LYS 11 2HG LYS 11 -15.897 -0.207 9.212
76 2HG LYS 11 1HG LYS 11 -16.132 1.341 8.401
77 1HD LYS 11 2HD LYS 11 -17.463 1.650 10.239
78 2HD LYS 11 1HD LYS 11 -18.639 0.940 9.131
79 1HE LYS 11 2HE LYS 11 -18.759 -1.004 10.290
80 2HE LYS 11 1HE LYS 11 -17.061 -0.951 10.761
81 1HZ LYS 11 1HZ LYS 11 -19.074 -0.498 12.440
82 2HZ LYS 11 2HZ LYS 11 -18.756 1.087 11.941
83 3HZ LYS 11 3HZ LYS 11 -17.528 0.159 12.642
84 H SER 12 H SER 12 -16.885 -0.710 5.075
85 HA SER 12 HA SER 12 -17.531 -3.187 3.700
86 1HB SER 12 2HB SER 12 -19.612 -2.355 2.739
87 2HB SER 12 1HB SER 12 -19.721 -2.367 4.499
88 HG SER 12 HG SER 12 -20.392 -0.391 3.193
89 H GLY 13 H GLY 13 -15.402 -1.095 3.650
90 1HA GLY 13 2HA GLY 13 -15.171 -0.923 0.801
91 2HA GLY 13 1HA GLY 13 -15.529 0.639 1.522
92 H CYS 14 H CYS 14 -13.171 0.028 0.084
93 HA CYS 14 HA CYS 14 -11.108 -0.188 2.135
94 1HB CYS 14 2HB CYS 14 -10.783 -0.095 -0.848
95 2HB CYS 14 1HB CYS 14 -9.534 -0.443 0.344
96 H SER 15 H SER 15 -9.705 1.305 2.647
97 HA SER 15 HA SER 15 -9.912 3.937 1.345
98 1HB SER 15 2HB SER 15 -11.125 3.675 3.656
99 2HB SER 15 1HB SER 15 -9.491 3.745 4.313
100 HG SER 15 HG SER 15 -10.587 5.809 4.124
101 H VAL 16 H VAL 16 -7.991 5.359 2.210
102 HA VAL 16 HA VAL 16 -5.597 3.689 2.519
103 HB VAL 16 HB VAL 16 -5.864 5.939 0.520
104 1HG1 VAL 16 1HG1 VAL 16 -3.563 4.583 1.716
105 2HG1 VAL 16 2HG1 VAL 16 -3.665 6.137 0.898
106 3HG1 VAL 16 3HG1 VAL 16 -3.534 4.651 -0.044
107 1HG2 VAL 16 1HG2 VAL 16 -6.004 3.006 0.327
108 2HG2 VAL 16 2HG2 VAL 16 -5.065 3.848 -0.914
109 3HG2 VAL 16 3HG2 VAL 16 -6.767 4.250 -0.673
110 H ASN 17 H ASN 17 -4.239 4.412 4.037
111 HA ASN 17 HA ASN 17 -4.818 6.829 5.465
112 1HB ASN 17 2HB ASN 17 -3.296 4.475 5.948
113 2HB ASN 17 1HB ASN 17 -2.198 5.846 6.095
114 1HD2 ASN 17 1HD2 ASN 17 -5.647 5.601 6.840
115 2HD2 ASN 17 2HD2 ASN 17 -5.492 5.995 8.515
116 H TRP 18 H TRP 18 -2.879 5.917 2.821
117 HA TRP 18 HA TRP 18 -1.578 7.031 1.370
118 1HB TRP 18 2HB TRP 18 -2.802 9.376 2.818
119 2HB TRP 18 1HB TRP 18 -1.671 9.580 1.475
120 HD1 TRP 18 HD TRP 18 -5.269 9.169 2.106
121 HE1 TRP 18 1HE TRP 18 -6.515 8.548 -0.055
122 HE3 TRP 18 3HE TRP 18 -1.270 7.938 -0.772
123 HZ2 TRP 18 2HZ TRP 18 -5.870 7.638 -2.648
124 HZ3 TRP 18 3HZ TRP 18 -1.654 7.189 -3.087
125 HH2 TRP 18 HH TRP 18 -3.915 7.032 -3.994
126 H GLY 19 H GLY 19 -1.124 8.817 4.460
127 1HA GLY 19 2HA GLY 19 1.636 9.151 4.049
128 2HA GLY 19 1HA GLY 19 0.843 9.167 5.628
129 H GLU 20 H GLU 20 -0.257 6.476 5.239
130 HA GLU 20 HA GLU 20 1.956 4.950 6.246
131 1HB GLU 20 2HB GLU 20 -0.941 4.361 5.663
132 2HB GLU 20 1HB GLU 20 0.173 3.048 6.033
133 1HG GLU 20 2HG GLU 20 0.257 5.308 7.905
134 2HG GLU 20 1HG GLU 20 -1.267 4.425 7.867
135 H ALA 21 H ALA 21 0.059 5.114 3.283
136 HA ALA 21 HA ALA 21 1.377 2.962 1.941
137 1HB ALA 21 1HB ALA 21 0.021 5.269 0.604
138 2HB ALA 21 2HB ALA 21 -0.908 4.034 1.453
139 3HB ALA 21 3HB ALA 21 0.107 3.586 0.081
140 H PHE 22 H PHE 22 1.837 6.411 2.259
141 HA PHE 22 HA PHE 22 3.670 6.864 0.180
142 1HB PHE 22 2HB PHE 22 2.523 8.624 1.569
143 2HB PHE 22 1HB PHE 22 3.596 8.201 2.899
144 HD1 PHE 22 1HD PHE 22 6.082 8.503 2.580
145 HD2 PHE 22 2HD PHE 22 3.197 10.122 -0.096
146 HE1 PHE 22 1HE PHE 22 7.765 10.080 1.724
147 HE2 PHE 22 2HE PHE 22 4.874 11.702 -0.955
148 HZ PHE 22 HZ PHE 22 7.162 11.683 -0.045
149 H SER 23 H SER 23 3.965 5.719 3.463
150 HA SER 23 HA SER 23 6.828 5.655 3.534
151 1HB SER 23 2HB SER 23 6.612 4.579 5.625
152 2HB SER 23 1HB SER 23 5.194 5.621 5.536
153 HG SER 23 HG SER 23 4.088 3.867 5.826
154 H ALA 24 H ALA 24 4.302 3.510 2.486
155 HA ALA 24 HA ALA 24 5.944 1.174 2.246
156 1HB ALA 24 1HB ALA 24 3.374 1.340 2.460
157 2HB ALA 24 2HB ALA 24 4.055 0.120 1.381
158 3HB ALA 24 3HB ALA 24 3.405 1.620 0.719
159 H GLY 25 H GLY 25 4.637 3.565 -0.019
160 1HA GLY 25 2HA GLY 25 5.827 2.475 -2.336
161 2HA GLY 25 1HA GLY 25 5.223 4.116 -2.167
162 H VAL 26 H VAL 26 6.959 4.905 -0.011
163 HA VAL 26 HA VAL 26 9.202 5.748 -1.523
164 HB VAL 26 HB VAL 26 8.802 5.744 1.488
165 1HG1 VAL 26 1HG1 VAL 26 10.576 7.624 1.273
166 2HG1 VAL 26 2HG1 VAL 26 10.990 6.825 -0.244
167 3HG1 VAL 26 3HG1 VAL 26 11.101 5.941 1.278
168 1HG2 VAL 26 1HG2 VAL 26 7.809 7.769 1.312
169 2HG2 VAL 26 2HG2 VAL 26 7.374 7.154 -0.283
170 3HG2 VAL 26 3HG2 VAL 26 8.755 8.237 -0.101
171 H HIS 27 H HIS 27 8.742 3.140 0.831
172 HA HIS 27 HA HIS 27 11.456 2.388 1.011
173 1HB HIS 27 2HB HIS 27 8.990 0.642 1.249
174 2HB HIS 27 1HB HIS 27 10.604 0.220 1.807
175 HD1 HIS 27 1HD HIS 27 10.360 3.601 2.639
176 HD2 HIS 27 2HD HIS 27 8.667 0.144 4.198
177 HE1 HIS 27 1HE HIS 27 9.683 4.179 4.977
178 HE2 HIS 27 2HE HIS 27 8.569 2.110 5.875
179 H ARG 28 H ARG 28 8.871 1.617 -1.232
180 HA ARG 28 HA ARG 28 10.306 -0.352 -2.706
181 1HB ARG 28 2HB ARG 28 7.898 -0.337 -2.752
182 2HB ARG 28 1HB ARG 28 7.870 1.311 -3.358
183 1HG ARG 28 2HG ARG 28 8.144 0.666 -5.476
184 2HG ARG 28 1HG ARG 28 9.356 -0.547 -5.054
185 1HD ARG 28 2HD ARG 28 6.407 -0.907 -4.555
186 2HD ARG 28 1HD ARG 28 7.207 -1.435 -6.034
187 HE ARG 28 HE ARG 28 8.655 -2.539 -3.974
188 1HH1 ARG 28 1HH1 ARG 28 5.346 -2.679 -5.074
189 2HH1 ARG 28 2HH1 ARG 28 5.092 -4.292 -4.497
190 1HH2 ARG 28 1HH2 ARG 28 8.322 -4.658 -3.214
191 2HH2 ARG 28 2HH2 ARG 28 6.781 -5.416 -3.440
192 H LEU 29 H LEU 29 9.576 3.084 -3.297
193 HA LEU 29 HA LEU 29 11.020 3.262 -5.726
194 1HB LEU 29 2HB LEU 29 10.381 5.519 -3.858
195 2HB LEU 29 1HB LEU 29 10.687 5.619 -5.581
196 HG LEU 29 HG LEU 29 8.275 4.465 -4.219
197 1HD1 LEU 29 1HD1 LEU 29 7.177 6.174 -5.738
198 2HD1 LEU 29 2HD1 LEU 29 8.797 6.834 -5.969
199 3HD1 LEU 29 3HD1 LEU 29 8.087 6.788 -4.356
200 1HD2 LEU 29 1HD2 LEU 29 7.468 4.024 -6.536
201 2HD2 LEU 29 2HD2 LEU 29 8.785 2.980 -5.994
202 3HD2 LEU 29 3HD2 LEU 29 9.117 4.317 -7.095
203 H ALA 30 H ALA 30 11.704 4.346 -2.486
204 HA ALA 30 HA ALA 30 14.235 5.445 -2.980
205 1HB ALA 30 1HB ALA 30 14.385 5.791 -0.697
206 2HB ALA 30 2HB ALA 30 13.474 4.329 -0.316
207 3HB ALA 30 3HB ALA 30 12.644 5.735 -0.982
208 H ASN 31 H ASN 31 13.330 2.108 -2.325
209 HA ASN 31 HA ASN 31 16.072 1.364 -1.743
210 1HB ASN 31 2HB ASN 31 13.848 0.247 -0.870
211 2HB ASN 31 1HB ASN 31 13.979 -0.686 -2.359
212 1HD2 ASN 31 1HD2 ASN 31 16.708 -1.016 -2.545
213 2HD2 ASN 31 2HD2 ASN 31 17.265 -1.964 -1.217
214 H GLY 32 H GLY 32 14.022 1.611 -4.504
215 1HA GLY 32 2HA GLY 32 15.259 1.728 -6.642
216 2HA GLY 32 1HA GLY 32 16.109 0.279 -6.124
217 H GLY 33 H GLY 33 13.559 1.468 -7.939
218 1HA GLY 33 2HA GLY 33 12.819 -1.013 -8.973
219 2HA GLY 33 1HA GLY 33 11.665 -0.622 -7.704
220 H ASN 34 H ASN 34 11.969 -0.594 -10.896
221 HA ASN 34 HA ASN 34 10.890 2.045 -11.443
222 1HB ASN 34 2HB ASN 34 11.715 -0.291 -13.143
223 2HB ASN 34 1HB ASN 34 10.728 0.998 -13.826
224 1HD2 ASN 34 1HD2 ASN 34 12.821 0.948 -15.152
225 2HD2 ASN 34 2HD2 ASN 34 14.049 2.055 -14.651
226 H GLY 35 H GLY 35 9.744 -1.173 -10.904
227 1HA GLY 35 2HA GLY 35 7.358 -1.245 -10.210
228 2HA GLY 35 1HA GLY 35 7.015 -0.298 -11.650
229 H PHE 36 H PHE 36 9.376 -2.854 -11.757
230 HA PHE 36 HA PHE 36 9.362 -4.955 -12.647
231 1HB PHE 36 2HB PHE 36 6.765 -4.717 -11.655
232 2HB PHE 36 1HB PHE 36 6.551 -5.243 -13.323
233 HD1 PHE 36 1HD PHE 36 8.781 -6.034 -10.434
234 HD2 PHE 36 2HD PHE 36 6.419 -7.499 -13.655
235 HE1 PHE 36 1HE PHE 36 9.321 -8.343 -9.775
236 HE2 PHE 36 2HE PHE 36 6.952 -9.810 -13.002
237 HZ PHE 36 HZ PHE 36 8.405 -10.234 -11.059
238 H TRP 37 H TRP 37 8.516 -2.175 -14.188
239 HA TRP 37 HA TRP 37 7.793 -3.231 -16.755
240 1HB TRP 37 2HB TRP 37 8.291 -0.555 -15.589
241 2HB TRP 37 1HB TRP 37 8.604 -0.713 -17.314
242 HD1 TRP 37 HD TRP 37 5.735 -2.580 -15.572
243 HE1 TRP 37 1HE TRP 37 3.506 -1.710 -16.519
244 HE3 TRP 37 3HE TRP 37 7.514 1.257 -18.445
245 HZ2 TRP 37 2HZ TRP 37 2.619 0.333 -18.253
246 HZ3 TRP 37 3HZ TRP 37 5.909 2.620 -19.716
247 HH2 TRP 37 HH TRP 37 3.512 2.167 -19.623
Start of MODEL 11
1 HA LYS 1 HA LYS 1 -6.687 -5.313 7.238
2 1HB LYS 1 2HB LYS 1 -8.219 -6.751 6.331
3 2HB LYS 1 1HB LYS 1 -8.999 -5.489 5.388
4 1HG LYS 1 2HG LYS 1 -7.650 -5.794 3.588
5 2HG LYS 1 1HG LYS 1 -6.272 -6.298 4.565
6 1HD LYS 1 2HD LYS 1 -6.784 -8.331 3.714
7 2HD LYS 1 1HD LYS 1 -7.934 -8.351 5.053
8 1HE LYS 1 2HE LYS 1 -9.739 -7.949 3.681
9 2HE LYS 1 1HE LYS 1 -8.758 -7.165 2.444
10 1HZ LYS 1 1HZ LYS 1 -9.402 -9.248 1.584
11 2HZ LYS 1 2HZ LYS 1 -8.988 -10.066 3.004
12 3HZ LYS 1 3HZ LYS 1 -7.776 -9.420 2.018
13 H TYR 2 H TYR 2 -4.712 -4.683 6.579
14 HA TYR 2 HA TYR 2 -4.376 -2.598 4.651
15 1HB TYR 2 2HB TYR 2 -2.916 -3.471 6.768
16 2HB TYR 2 1HB TYR 2 -2.022 -4.184 5.425
17 HD1 TYR 2 1HD TYR 2 -0.494 -2.870 4.247
18 HD2 TYR 2 2HD TYR 2 -3.515 -1.033 6.569
19 HE1 TYR 2 1HE TYR 2 0.523 -0.695 3.817
20 HE2 TYR 2 2HE TYR 2 -2.503 1.162 6.155
21 HH TYR 2 HH TYR 2 0.526 1.615 5.159
22 H TYR 3 H TYR 3 -3.701 -2.767 2.576
23 HA TYR 3 HA TYR 3 -3.555 -5.487 1.451
24 1HB TYR 3 2HB TYR 3 -4.621 -2.901 0.481
25 2HB TYR 3 1HB TYR 3 -3.834 -3.914 -0.734
26 HD1 TYR 3 1HD TYR 3 -6.763 -3.426 1.313
27 HD2 TYR 3 2HD TYR 3 -4.686 -6.245 -1.103
28 HE1 TYR 3 1HE TYR 3 -8.793 -4.810 1.189
29 HE2 TYR 3 2HE TYR 3 -6.710 -7.632 -1.239
30 HH TYR 3 HH TYR 3 -9.780 -6.524 -0.107
31 H GLY 4 H GLY 4 -1.313 -4.429 2.764
32 1HA GLY 4 2HA GLY 4 0.914 -3.941 2.504
33 2HA GLY 4 1HA GLY 4 0.784 -5.024 1.123
34 H ASN 5 H ASN 5 -1.106 -2.150 0.961
35 HA ASN 5 HA ASN 5 0.957 -0.629 -0.409
36 1HB ASN 5 2HB ASN 5 -0.936 -2.239 -1.835
37 2HB ASN 5 1HB ASN 5 -1.322 -0.546 -2.124
38 1HD2 ASN 5 1HD2 ASN 5 0.300 0.812 -3.017
39 2HD2 ASN 5 2HD2 ASN 5 1.578 0.145 -3.969
40 H GLY 6 H GLY 6 -0.166 0.043 1.990
41 1HA GLY 6 2HA GLY 6 -1.443 1.653 3.060
42 2HA GLY 6 1HA GLY 6 -1.060 2.626 1.658
43 H VAL 7 H VAL 7 -3.079 -0.229 2.171
44 HA VAL 7 HA VAL 7 -5.465 1.291 1.434
45 HB VAL 7 HB VAL 7 -4.443 -1.073 -0.136
46 1HG1 VAL 7 1HG1 VAL 7 -6.816 -0.760 -1.215
47 2HG1 VAL 7 2HG1 VAL 7 -7.209 -0.141 0.393
48 3HG1 VAL 7 3HG1 VAL 7 -6.598 -1.788 0.206
49 1HG2 VAL 7 1HG2 VAL 7 -4.303 0.341 -1.873
50 2HG2 VAL 7 2HG2 VAL 7 -4.306 1.596 -0.636
51 3HG2 VAL 7 3HG2 VAL 7 -5.809 1.152 -1.446
52 H HIS 8 H HIS 8 -6.452 0.940 3.344
53 HA HIS 8 HA HIS 8 -6.711 -1.843 4.194
54 1HB HIS 8 2HB HIS 8 -7.697 -0.104 6.217
55 2HB HIS 8 1HB HIS 8 -6.292 -1.159 6.274
56 HD1 HIS 8 1HD HIS 8 -6.831 1.944 7.311
57 HD2 HIS 8 2HD HIS 8 -4.314 0.536 4.321
58 HE1 HIS 8 1HE HIS 8 -5.093 3.725 7.021
59 HE2 HIS 8 2HE HIS 8 -3.505 2.809 5.287
60 H CYS 9 H CYS 9 -8.704 -2.640 4.853
61 HA CYS 9 HA CYS 9 -10.991 -1.130 3.820
62 1HB CYS 9 2HB CYS 9 -10.097 -3.535 2.897
63 2HB CYS 9 1HB CYS 9 -11.308 -4.041 4.071
64 H THR 10 H THR 10 -11.547 -0.144 5.675
65 HA THR 10 HA THR 10 -11.848 -1.716 8.101
66 HB THR 10 HB THR 10 -12.137 0.416 9.227
67 HG1 THR 10 1HG THR 10 -12.284 1.414 6.593
68 1HG2 THR 10 1HG2 THR 10 -10.011 1.220 9.076
69 2HG2 THR 10 2HG2 THR 10 -9.969 1.105 7.317
70 3HG2 THR 10 3HG2 THR 10 -9.796 -0.349 8.301
71 H LYS 11 H LYS 11 -13.672 -1.876 9.288
72 HA LYS 11 HA LYS 11 -15.804 -2.496 9.581
73 1HB LYS 11 2HB LYS 11 -17.340 -0.735 9.730
74 2HB LYS 11 1HB LYS 11 -15.764 -0.023 10.026
75 1HG LYS 11 2HG LYS 11 -15.744 0.803 7.700
76 2HG LYS 11 1HG LYS 11 -17.373 0.163 7.492
77 1HD LYS 11 2HD LYS 11 -18.232 1.621 9.191
78 2HD LYS 11 1HD LYS 11 -16.606 2.169 9.605
79 1HE LYS 11 2HE LYS 11 -16.467 3.549 7.810
80 2HE LYS 11 1HE LYS 11 -17.444 2.497 6.787
81 1HZ LYS 11 1HZ LYS 11 -18.322 4.798 7.763
82 2HZ LYS 11 2HZ LYS 11 -18.822 3.771 9.010
83 3HZ LYS 11 3HZ LYS 11 -19.347 3.494 7.426
84 H SER 12 H SER 12 -16.112 -0.726 6.427
85 HA SER 12 HA SER 12 -16.986 -3.195 5.219
86 1HB SER 12 2HB SER 12 -19.064 -2.561 6.175
87 2HB SER 12 1HB SER 12 -18.870 -0.908 5.612
88 HG SER 12 HG SER 12 -19.288 -3.217 4.027
89 H GLY 13 H GLY 13 -15.012 -0.806 4.840
90 1HA GLY 13 2HA GLY 13 -15.311 -0.816 1.942
91 2HA GLY 13 1HA GLY 13 -15.421 0.756 2.714
92 H CYS 14 H CYS 14 -13.483 -0.249 0.782
93 HA CYS 14 HA CYS 14 -10.999 -0.359 2.313
94 1HB CYS 14 2HB CYS 14 -11.469 -0.605 -0.654
95 2HB CYS 14 1HB CYS 14 -9.917 -0.773 0.152
96 H SER 15 H SER 15 -9.611 1.230 2.499
97 HA SER 15 HA SER 15 -9.937 3.614 0.822
98 1HB SER 15 2HB SER 15 -11.206 4.341 2.640
99 2HB SER 15 1HB SER 15 -10.197 3.495 3.811
100 HG SER 15 HG SER 15 -9.764 5.943 2.516
101 H VAL 16 H VAL 16 -8.122 5.277 1.568
102 HA VAL 16 HA VAL 16 -5.637 3.778 2.036
103 HB VAL 16 HB VAL 16 -5.928 5.950 -0.041
104 1HG1 VAL 16 1HG1 VAL 16 -3.711 6.051 0.035
105 2HG1 VAL 16 2HG1 VAL 16 -3.630 4.350 -0.410
106 3HG1 VAL 16 3HG1 VAL 16 -3.672 4.815 1.286
107 1HG2 VAL 16 1HG2 VAL 16 -5.262 3.941 -1.528
108 2HG2 VAL 16 2HG2 VAL 16 -6.955 4.183 -1.076
109 3HG2 VAL 16 3HG2 VAL 16 -5.969 2.990 -0.218
110 H ASN 17 H ASN 17 -4.725 4.558 3.814
111 HA ASN 17 HA ASN 17 -5.311 7.120 4.901
112 1HB ASN 17 2HB ASN 17 -3.857 4.801 5.707
113 2HB ASN 17 1HB ASN 17 -2.787 6.190 5.881
114 1HD2 ASN 17 1HD2 ASN 17 -3.567 4.806 8.081
115 2HD2 ASN 17 2HD2 ASN 17 -4.658 5.756 9.025
116 H TRP 18 H TRP 18 -3.264 6.051 2.431
117 HA TRP 18 HA TRP 18 -1.833 7.046 1.024
118 1HB TRP 18 2HB TRP 18 -3.071 9.483 2.280
119 2HB TRP 18 1HB TRP 18 -1.839 9.602 1.017
120 HD1 TRP 18 HD TRP 18 -5.489 9.288 1.406
121 HE1 TRP 18 1HE TRP 18 -6.594 8.624 -0.816
122 HE3 TRP 18 3HE TRP 18 -1.329 7.900 -1.163
123 HZ2 TRP 18 2HZ TRP 18 -5.797 7.627 -3.331
124 HZ3 TRP 18 3HZ TRP 18 -1.571 7.092 -3.474
125 HH2 TRP 18 HH TRP 18 -3.768 6.948 -4.528
126 H GLY 19 H GLY 19 -1.451 9.128 3.932
127 1HA GLY 19 2HA GLY 19 1.316 9.324 3.707
128 2HA GLY 19 1HA GLY 19 0.443 9.407 5.242
129 H GLU 20 H GLU 20 -0.675 6.700 4.804
130 HA GLU 20 HA GLU 20 1.443 5.175 6.003
131 1HB GLU 20 2HB GLU 20 -1.444 4.743 5.365
132 2HB GLU 20 1HB GLU 20 -0.435 3.321 5.576
133 1HG GLU 20 2HG GLU 20 -1.352 3.717 7.675
134 2HG GLU 20 1HG GLU 20 0.290 4.341 7.775
135 H ALA 21 H ALA 21 -0.263 5.306 2.930
136 HA ALA 21 HA ALA 21 1.045 3.089 1.698
137 1HB ALA 21 1HB ALA 21 -1.115 4.557 1.087
138 2HB ALA 21 2HB ALA 21 -0.237 3.592 -0.102
139 3HB ALA 21 3HB ALA 21 0.073 5.324 0.036
140 H PHE 22 H PHE 22 1.594 6.543 1.898
141 HA PHE 22 HA PHE 22 3.632 6.815 -0.010
142 1HB PHE 22 2HB PHE 22 2.462 8.718 1.061
143 2HB PHE 22 1HB PHE 22 3.228 8.316 2.595
144 HD1 PHE 22 1HD PHE 22 3.522 10.099 -0.489
145 HD2 PHE 22 2HD PHE 22 5.758 8.441 2.730
146 HE1 PHE 22 1HE PHE 22 5.433 11.530 -1.083
147 HE2 PHE 22 2HE PHE 22 7.672 9.868 2.140
148 HZ PHE 22 HZ PHE 22 7.511 11.416 0.232
149 H SER 23 H SER 23 3.576 5.852 3.347
150 HA SER 23 HA SER 23 6.403 5.712 3.728
151 1HB SER 23 2HB SER 23 4.940 5.795 5.670
152 2HB SER 23 1HB SER 23 4.126 4.314 5.167
153 HG SER 23 HG SER 23 6.173 4.481 6.747
154 H ALA 24 H ALA 24 3.970 3.612 2.409
155 HA ALA 24 HA ALA 24 5.568 1.236 2.344
156 1HB ALA 24 1HB ALA 24 3.749 0.221 1.356
157 2HB ALA 24 2HB ALA 24 3.281 1.678 0.479
158 3HB ALA 24 3HB ALA 24 2.963 1.551 2.208
159 H GLY 25 H GLY 25 4.571 3.656 -0.056
160 1HA GLY 25 2HA GLY 25 5.974 2.558 -2.236
161 2HA GLY 25 1HA GLY 25 5.456 4.231 -2.094
162 H VAL 26 H VAL 26 6.979 4.780 0.316
163 HA VAL 26 HA VAL 26 9.417 5.588 -0.877
164 HB VAL 26 HB VAL 26 8.683 5.414 2.061
165 1HG1 VAL 26 1HG1 VAL 26 11.018 5.524 2.044
166 2HG1 VAL 26 2HG1 VAL 26 10.514 7.206 2.217
167 3HG1 VAL 26 3HG1 VAL 26 11.050 6.602 0.648
168 1HG2 VAL 26 1HG2 VAL 26 8.878 8.031 0.752
169 2HG2 VAL 26 2HG2 VAL 26 7.682 7.410 1.891
170 3HG2 VAL 26 3HG2 VAL 26 7.557 7.013 0.176
171 H HIS 27 H HIS 27 8.580 2.883 1.271
172 HA HIS 27 HA HIS 27 11.218 1.992 1.708
173 1HB HIS 27 2HB HIS 27 8.733 0.264 1.552
174 2HB HIS 27 1HB HIS 27 10.231 -0.113 2.392
175 HD1 HIS 27 1HD HIS 27 10.298 2.970 3.519
176 HD2 HIS 27 2HD HIS 27 7.374 0.065 4.032
177 HE1 HIS 27 1HE HIS 27 9.060 3.622 5.594
178 HE2 HIS 27 2HE HIS 27 7.253 1.890 5.860
179 H ARG 28 H ARG 28 8.898 1.424 -0.863
180 HA ARG 28 HA ARG 28 10.455 -0.532 -2.250
181 1HB ARG 28 2HB ARG 28 8.050 -0.456 -2.548
182 2HB ARG 28 1HB ARG 28 8.138 1.200 -3.130
183 1HG ARG 28 2HG ARG 28 7.980 0.154 -5.123
184 2HG ARG 28 1HG ARG 28 9.732 0.063 -4.931
185 1HD ARG 28 2HD ARG 28 8.278 -2.143 -3.672
186 2HD ARG 28 1HD ARG 28 8.081 -2.061 -5.423
187 HE ARG 28 HE ARG 28 10.798 -1.775 -4.821
188 1HH1 ARG 28 1HH1 ARG 28 8.292 -4.198 -4.663
189 2HH1 ARG 28 2HH1 ARG 28 9.387 -5.524 -4.861
190 1HH2 ARG 28 1HH2 ARG 28 12.241 -3.522 -5.081
191 2HH2 ARG 28 2HH2 ARG 28 11.626 -5.142 -5.098
192 H LEU 29 H LEU 29 9.851 2.934 -2.682
193 HA LEU 29 HA LEU 29 11.499 3.256 -4.965
194 1HB LEU 29 2HB LEU 29 10.499 5.262 -2.961
195 2HB LEU 29 1HB LEU 29 11.275 5.671 -4.479
196 HG LEU 29 HG LEU 29 8.586 4.421 -4.047
197 1HD1 LEU 29 1HD1 LEU 29 9.654 7.003 -4.991
198 2HD1 LEU 29 2HD1 LEU 29 8.180 6.642 -4.094
199 3HD1 LEU 29 3HD1 LEU 29 8.240 6.373 -5.837
200 1HD2 LEU 29 1HD2 LEU 29 10.095 4.650 -6.640
201 2HD2 LEU 29 2HD2 LEU 29 8.427 4.106 -6.450
202 3HD2 LEU 29 3HD2 LEU 29 9.751 3.154 -5.777
203 H ALA 30 H ALA 30 11.873 4.354 -1.678
204 HA ALA 30 HA ALA 30 14.501 5.307 -1.938
205 1HB ALA 30 1HB ALA 30 13.697 4.474 0.750
206 2HB ALA 30 2HB ALA 30 12.546 5.519 -0.084
207 3HB ALA 30 3HB ALA 30 14.211 6.051 0.150
208 H ASN 31 H ASN 31 13.581 2.084 -1.961
209 HA ASN 31 HA ASN 31 15.835 1.109 -0.429
210 1HB ASN 31 2HB ASN 31 13.832 -0.233 -0.381
211 2HB ASN 31 1HB ASN 31 13.804 -0.343 -2.140
212 1HD2 ASN 31 1HD2 ASN 31 14.377 -2.276 -2.806
213 2HD2 ASN 31 2HD2 ASN 31 15.591 -3.284 -2.104
214 H GLY 32 H GLY 32 17.257 2.512 -1.861
215 1HA GLY 32 2HA GLY 32 18.455 0.763 -3.860
216 2HA GLY 32 1HA GLY 32 17.880 2.317 -4.442
217 H GLY 33 H GLY 33 18.832 4.259 -3.526
218 1HA GLY 33 2HA GLY 33 21.676 3.915 -3.147
219 2HA GLY 33 1HA GLY 33 20.816 5.440 -3.299
220 H ASN 34 H ASN 34 21.536 6.552 -1.582
221 HA ASN 34 HA ASN 34 20.675 5.681 1.040
222 1HB ASN 34 2HB ASN 34 22.918 6.021 2.058
223 2HB ASN 34 1HB ASN 34 22.870 4.652 0.950
224 1HD2 ASN 34 1HD2 ASN 34 25.157 6.169 1.831
225 2HD2 ASN 34 2HD2 ASN 34 25.884 6.837 0.413
226 H GLY 35 H GLY 35 19.708 7.386 1.902
227 1HA GLY 35 2HA GLY 35 19.438 9.544 2.696
228 2HA GLY 35 1HA GLY 35 21.002 9.955 2.007
229 H PHE 36 H PHE 36 18.444 11.422 1.959
230 HA PHE 36 HA PHE 36 17.478 11.283 -0.744
231 1HB PHE 36 2HB PHE 36 16.817 12.811 1.697
232 2HB PHE 36 1HB PHE 36 16.503 13.639 0.177
233 HD1 PHE 36 1HD PHE 36 14.889 12.745 -1.420
234 HD2 PHE 36 2HD PHE 36 15.522 10.915 2.369
235 HE1 PHE 36 1HE PHE 36 12.783 11.498 -1.675
236 HE2 PHE 36 2HE PHE 36 13.418 9.665 2.121
237 HZ PHE 36 HZ PHE 36 12.046 9.954 0.096
238 H TRP 37 H TRP 37 19.484 13.550 1.118
239 HA TRP 37 HA TRP 37 19.924 15.283 -1.124
240 1HB TRP 37 2HB TRP 37 21.465 15.113 1.476
241 2HB TRP 37 1HB TRP 37 21.498 16.448 0.330
242 HD1 TRP 37 HD TRP 37 19.633 15.161 3.307
243 HE1 TRP 37 1HE TRP 37 17.668 16.730 3.855
244 HE3 TRP 37 3HE TRP 37 19.673 18.026 -0.929
245 HZ2 TRP 37 2HZ TRP 37 16.315 18.895 2.654
246 HZ3 TRP 37 3HZ TRP 37 18.009 19.825 -1.150
247 HH2 TRP 37 HH TRP 37 16.366 20.250 0.605
Start of MODEL 12
1 HA LYS 1 HA LYS 1 -7.084 -5.857 7.922
2 1HB LYS 1 2HB LYS 1 -7.486 -6.818 5.617
3 2HB LYS 1 1HB LYS 1 -8.800 -7.045 6.767
4 1HG LYS 1 2HG LYS 1 -9.656 -4.796 5.661
5 2HG LYS 1 1HG LYS 1 -8.663 -5.376 4.321
6 1HD LYS 1 2HD LYS 1 -10.026 -7.638 5.072
7 2HD LYS 1 1HD LYS 1 -11.226 -6.372 5.322
8 1HE LYS 1 2HE LYS 1 -10.054 -5.752 2.877
9 2HE LYS 1 1HE LYS 1 -10.209 -7.508 2.859
10 1HZ LYS 1 1HZ LYS 1 -12.164 -6.129 2.021
11 2HZ LYS 1 2HZ LYS 1 -12.473 -5.784 3.647
12 3HZ LYS 1 3HZ LYS 1 -12.502 -7.385 3.103
13 H TYR 2 H TYR 2 -5.145 -4.864 7.704
14 HA TYR 2 HA TYR 2 -4.775 -2.800 5.728
15 1HB TYR 2 2HB TYR 2 -3.583 -3.389 8.147
16 2HB TYR 2 1HB TYR 2 -2.339 -3.800 6.968
17 HD1 TYR 2 1HD TYR 2 -0.980 -2.103 6.140
18 HD2 TYR 2 2HD TYR 2 -4.752 -1.162 7.821
19 HE1 TYR 2 1HE TYR 2 -0.479 0.280 5.898
20 HE2 TYR 2 2HE TYR 2 -4.260 1.233 7.606
21 HH TYR 2 HH TYR 2 -2.732 2.664 6.076
22 H TYR 3 H TYR 3 -3.449 -2.918 3.916
23 HA TYR 3 HA TYR 3 -2.888 -5.664 2.993
24 1HB TYR 3 2HB TYR 3 -3.841 -3.187 1.675
25 2HB TYR 3 1HB TYR 3 -2.749 -4.200 0.731
26 HD1 TYR 3 1HD TYR 3 -6.113 -3.657 1.663
27 HD2 TYR 3 2HD TYR 3 -3.356 -6.723 0.638
28 HE1 TYR 3 1HE TYR 3 -7.988 -5.128 1.058
29 HE2 TYR 3 2HE TYR 3 -5.221 -8.209 0.033
30 HH TYR 3 HH TYR 3 -8.366 -7.662 0.911
31 H GLY 4 H GLY 4 -1.055 -4.161 4.700
32 1HA GLY 4 2HA GLY 4 1.148 -3.500 4.807
33 2HA GLY 4 1HA GLY 4 1.386 -4.751 3.594
34 H ASN 5 H ASN 5 -0.671 -2.132 2.738
35 HA ASN 5 HA ASN 5 1.449 -0.564 1.517
36 1HB ASN 5 2HB ASN 5 -0.318 -2.384 0.026
37 2HB ASN 5 1HB ASN 5 -0.311 -0.737 -0.594
38 1HD2 ASN 5 1HD2 ASN 5 0.782 -3.306 -1.633
39 2HD2 ASN 5 2HD2 ASN 5 2.439 -2.970 -1.988
40 H GLY 6 H GLY 6 -0.075 0.187 3.630
41 1HA GLY 6 2HA GLY 6 -1.659 1.688 4.387
42 2HA GLY 6 1HA GLY 6 -1.091 2.640 3.030
43 H VAL 7 H VAL 7 -3.012 -0.345 3.224
44 HA VAL 7 HA VAL 7 -5.327 1.042 2.104
45 HB VAL 7 HB VAL 7 -3.911 -1.204 0.685
46 1HG1 VAL 7 1HG1 VAL 7 -6.765 -0.383 0.674
47 2HG1 VAL 7 2HG1 VAL 7 -6.062 -1.998 0.549
48 3HG1 VAL 7 3HG1 VAL 7 -6.028 -0.909 -0.840
49 1HG2 VAL 7 1HG2 VAL 7 -4.807 0.670 -1.121
50 2HG2 VAL 7 2HG2 VAL 7 -3.162 0.544 -0.490
51 3HG2 VAL 7 3HG2 VAL 7 -4.319 1.640 0.265
52 H HIS 8 H HIS 8 -6.862 0.539 3.474
53 HA HIS 8 HA HIS 8 -7.131 -2.267 4.291
54 1HB HIS 8 2HB HIS 8 -8.463 -0.875 6.253
55 2HB HIS 8 1HB HIS 8 -6.838 -1.533 6.399
56 HD1 HIS 8 1HD HIS 8 -8.515 1.426 7.121
57 HD2 HIS 8 2HD HIS 8 -4.953 0.567 5.164
58 HE1 HIS 8 1HE HIS 8 -7.198 3.562 7.182
59 HE2 HIS 8 2HE HIS 8 -5.017 3.014 6.039
60 H CYS 9 H CYS 9 -9.033 -3.198 3.787
61 HA CYS 9 HA CYS 9 -11.176 -1.418 2.887
62 1HB CYS 9 2HB CYS 9 -10.078 -3.492 1.526
63 2HB CYS 9 1HB CYS 9 -11.435 -4.296 2.309
64 H THR 10 H THR 10 -12.238 -0.948 4.714
65 HA THR 10 HA THR 10 -12.919 -3.052 6.601
66 HB THR 10 HB THR 10 -13.618 -1.280 8.065
67 HG1 THR 10 1HG THR 10 -13.574 0.258 5.707
68 1HG2 THR 10 1HG2 THR 10 -11.283 -0.027 6.681
69 2HG2 THR 10 2HG2 THR 10 -11.110 -1.533 7.583
70 3HG2 THR 10 3HG2 THR 10 -11.669 -0.075 8.402
71 H LYS 11 H LYS 11 -15.260 -2.257 7.651
72 HA LYS 11 HA LYS 11 -17.156 -3.423 5.969
73 1HB LYS 11 2HB LYS 11 -18.691 -3.104 7.687
74 2HB LYS 11 1HB LYS 11 -17.151 -3.145 8.533
75 1HG LYS 11 2HG LYS 11 -18.631 -0.635 7.772
76 2HG LYS 11 1HG LYS 11 -18.668 -1.394 9.363
77 1HD LYS 11 2HD LYS 11 -16.373 -0.953 9.733
78 2HD LYS 11 1HD LYS 11 -16.108 -0.528 8.041
79 1HE LYS 11 2HE LYS 11 -16.161 1.483 9.363
80 2HE LYS 11 1HE LYS 11 -17.592 1.424 8.335
81 1HZ LYS 11 1HZ LYS 11 -17.390 1.382 11.211
82 2HZ LYS 11 2HZ LYS 11 -18.452 0.224 10.586
83 3HZ LYS 11 3HZ LYS 11 -18.678 1.860 10.224
84 H SER 12 H SER 12 -15.974 -0.222 6.017
85 HA SER 12 HA SER 12 -18.334 0.860 4.688
86 1HB SER 12 2HB SER 12 -16.680 2.944 4.660
87 2HB SER 12 1HB SER 12 -17.579 2.504 6.112
88 HG SER 12 HG SER 12 -14.915 1.726 5.507
89 H GLY 13 H GLY 13 -15.225 -0.421 3.971
90 1HA GLY 13 2HA GLY 13 -15.250 -1.085 1.483
91 2HA GLY 13 1HA GLY 13 -15.309 0.654 1.233
92 H CYS 14 H CYS 14 -13.300 0.319 0.032
93 HA CYS 14 HA CYS 14 -10.948 -0.302 1.636
94 1HB CYS 14 2HB CYS 14 -11.301 0.260 -1.294
95 2HB CYS 14 1HB CYS 14 -9.736 0.046 -0.529
96 H SER 15 H SER 15 -9.524 1.103 2.360
97 HA SER 15 HA SER 15 -9.759 3.902 1.506
98 1HB SER 15 2HB SER 15 -9.964 2.820 4.296
99 2HB SER 15 1HB SER 15 -9.278 4.421 4.029
100 HG SER 15 HG SER 15 -11.849 3.679 4.041
101 H VAL 16 H VAL 16 -7.847 5.204 2.446
102 HA VAL 16 HA VAL 16 -5.434 3.560 2.634
103 HB VAL 16 HB VAL 16 -5.697 5.883 0.728
104 1HG1 VAL 16 1HG1 VAL 16 -3.475 5.965 0.770
105 2HG1 VAL 16 2HG1 VAL 16 -3.410 4.291 0.229
106 3HG1 VAL 16 3HG1 VAL 16 -3.429 4.659 1.951
107 1HG2 VAL 16 1HG2 VAL 16 -6.701 4.265 -0.496
108 2HG2 VAL 16 2HG2 VAL 16 -5.894 2.959 0.383
109 3HG2 VAL 16 3HG2 VAL 16 -5.015 3.877 -0.850
110 H ASN 17 H ASN 17 -4.215 4.208 4.287
111 HA ASN 17 HA ASN 17 -4.760 6.609 5.724
112 1HB ASN 17 2HB ASN 17 -3.818 4.463 6.699
113 2HB ASN 17 1HB ASN 17 -2.284 4.900 5.954
114 1HD2 ASN 17 1HD2 ASN 17 -1.466 7.103 6.529
115 2HD2 ASN 17 2HD2 ASN 17 -1.667 7.619 8.165
116 H TRP 18 H TRP 18 -2.851 5.788 3.052
117 HA TRP 18 HA TRP 18 -1.524 6.915 1.644
118 1HB TRP 18 2HB TRP 18 -2.720 9.225 3.158
119 2HB TRP 18 1HB TRP 18 -1.561 9.467 1.845
120 HD1 TRP 18 HD TRP 18 -5.177 9.084 2.394
121 HE1 TRP 18 1HE TRP 18 -6.392 8.554 0.193
122 HE3 TRP 18 3HE TRP 18 -1.147 7.913 -0.469
123 HZ2 TRP 18 2HZ TRP 18 -5.720 7.731 -2.418
124 HZ3 TRP 18 3HZ TRP 18 -1.503 7.255 -2.813
125 HH2 TRP 18 HH TRP 18 -3.752 7.153 -3.756
126 H GLY 19 H GLY 19 -1.035 8.563 4.805
127 1HA GLY 19 2HA GLY 19 1.713 8.934 4.393
128 2HA GLY 19 1HA GLY 19 0.941 8.836 5.980
129 H GLU 20 H GLU 20 -0.121 6.165 5.457
130 HA GLU 20 HA GLU 20 2.152 4.621 6.295
131 1HB GLU 20 2HB GLU 20 -0.663 4.408 6.496
132 2HB GLU 20 1HB GLU 20 -0.128 2.998 5.590
133 1HG GLU 20 2HG GLU 20 1.349 3.705 8.062
134 2HG GLU 20 1HG GLU 20 -0.263 3.014 8.225
135 H ALA 21 H ALA 21 0.064 4.811 3.450
136 HA ALA 21 HA ALA 21 1.332 2.734 1.968
137 1HB ALA 21 1HB ALA 21 -0.126 5.077 0.795
138 2HB ALA 21 2HB ALA 21 -0.984 3.774 1.613
139 3HB ALA 21 3HB ALA 21 -0.023 3.429 0.175
140 H PHE 22 H PHE 22 1.670 6.214 2.194
141 HA PHE 22 HA PHE 22 3.427 6.676 0.072
142 1HB PHE 22 2HB PHE 22 2.370 8.515 1.236
143 2HB PHE 22 1HB PHE 22 3.133 8.042 2.757
144 HD1 PHE 22 1HD PHE 22 5.047 9.113 3.406
145 HD2 PHE 22 2HD PHE 22 4.047 9.023 -0.716
146 HE1 PHE 22 1HE PHE 22 6.954 10.590 2.915
147 HE2 PHE 22 2HE PHE 22 5.939 10.506 -1.218
148 HZ PHE 22 HZ PHE 22 7.401 11.285 0.598
149 H SER 23 H SER 23 3.894 5.613 3.359
150 HA SER 23 HA SER 23 6.756 5.692 3.306
151 1HB SER 23 2HB SER 23 6.692 4.647 5.423
152 2HB SER 23 1HB SER 23 5.208 5.595 5.386
153 HG SER 23 HG SER 23 4.337 3.739 5.878
154 H ALA 24 H ALA 24 4.293 3.460 2.325
155 HA ALA 24 HA ALA 24 6.000 1.180 2.004
156 1HB ALA 24 1HB ALA 24 3.410 1.291 2.253
157 2HB ALA 24 2HB ALA 24 4.128 0.078 1.193
158 3HB ALA 24 3HB ALA 24 3.437 1.551 0.508
159 H GLY 25 H GLY 25 4.582 3.616 -0.142
160 1HA GLY 25 2HA GLY 25 5.651 2.678 -2.562
161 2HA GLY 25 1HA GLY 25 5.182 4.344 -2.238
162 H VAL 26 H VAL 26 6.927 5.083 -0.261
163 HA VAL 26 HA VAL 26 9.253 5.760 -1.680
164 HB VAL 26 HB VAL 26 8.834 5.646 1.319
165 1HG1 VAL 26 1HG1 VAL 26 10.978 6.920 -0.361
166 2HG1 VAL 26 2HG1 VAL 26 11.165 5.784 0.977
167 3HG1 VAL 26 3HG1 VAL 26 10.627 7.435 1.289
168 1HG2 VAL 26 1HG2 VAL 26 7.252 7.042 -0.004
169 2HG2 VAL 26 2HG2 VAL 26 8.635 8.014 -0.519
170 3HG2 VAL 26 3HG2 VAL 26 8.208 7.918 1.194
171 H HIS 27 H HIS 27 8.689 3.170 0.703
172 HA HIS 27 HA HIS 27 11.334 2.289 0.920
173 1HB HIS 27 2HB HIS 27 8.725 0.778 1.169
174 2HB HIS 27 1HB HIS 27 10.291 0.074 1.560
175 HD1 HIS 27 1HD HIS 27 10.000 3.595 2.461
176 HD2 HIS 27 2HD HIS 27 9.212 -0.071 4.245
177 HE1 HIS 27 1HE HIS 27 9.735 4.082 4.897
178 HE2 HIS 27 2HE HIS 27 9.221 1.860 5.967
179 H ARG 28 H ARG 28 8.882 1.671 -1.495
180 HA ARG 28 HA ARG 28 10.485 -0.318 -2.854
181 1HB ARG 28 2HB ARG 28 7.937 1.045 -3.755
182 2HB ARG 28 1HB ARG 28 8.665 -0.383 -4.479
183 1HG ARG 28 2HG ARG 28 8.260 -1.649 -2.447
184 2HG ARG 28 1HG ARG 28 7.589 -0.213 -1.671
185 1HD ARG 28 2HD ARG 28 5.676 -1.285 -2.368
186 2HD ARG 28 1HD ARG 28 5.982 -0.201 -3.724
187 HE ARG 28 HE ARG 28 7.273 -2.492 -4.413
188 1HH1 ARG 28 1HH1 ARG 28 4.002 -1.747 -3.453
189 2HH1 ARG 28 2HH1 ARG 28 3.304 -3.031 -4.380
190 1HH2 ARG 28 1HH2 ARG 28 6.355 -4.183 -5.634
191 2HH2 ARG 28 2HH2 ARG 28 4.639 -4.414 -5.618
192 H LEU 29 H LEU 29 9.485 3.031 -3.355
193 HA LEU 29 HA LEU 29 10.779 3.346 -5.867
194 1HB LEU 29 2HB LEU 29 8.872 4.671 -5.410
195 2HB LEU 29 1HB LEU 29 9.558 5.270 -3.914
196 HG LEU 29 HG LEU 29 11.161 6.616 -5.121
197 1HD1 LEU 29 1HD1 LEU 29 11.408 4.949 -7.005
198 2HD1 LEU 29 2HD1 LEU 29 11.385 6.650 -7.470
199 3HD1 LEU 29 3HD1 LEU 29 9.948 5.655 -7.697
200 1HD2 LEU 29 1HD2 LEU 29 8.604 7.223 -4.878
201 2HD2 LEU 29 2HD2 LEU 29 8.664 7.158 -6.640
202 3HD2 LEU 29 3HD2 LEU 29 9.718 8.266 -5.763
203 H ALA 30 H ALA 30 11.481 4.742 -2.678
204 HA ALA 30 HA ALA 30 13.897 5.959 -3.477
205 1HB ALA 30 1HB ALA 30 13.117 6.998 -1.639
206 2HB ALA 30 2HB ALA 30 14.169 5.844 -0.818
207 3HB ALA 30 3HB ALA 30 12.440 5.520 -0.959
208 H ASN 31 H ASN 31 13.200 2.739 -2.323
209 HA ASN 31 HA ASN 31 15.970 2.213 -1.679
210 1HB ASN 31 2HB ASN 31 13.654 1.125 -0.786
211 2HB ASN 31 1HB ASN 31 14.139 -0.082 -1.975
212 1HD2 ASN 31 1HD2 ASN 31 14.456 0.940 1.173
213 2HD2 ASN 31 2HD2 ASN 31 15.860 0.035 1.613
214 H GLY 32 H GLY 32 13.678 1.322 -4.232
215 1HA GLY 32 2HA GLY 32 14.006 0.337 -6.289
216 2HA GLY 32 1HA GLY 32 15.481 1.290 -6.315
217 H GLY 33 H GLY 33 14.166 -1.769 -5.040
218 1HA GLY 33 2HA GLY 33 16.802 -2.895 -4.754
219 2HA GLY 33 1HA GLY 33 15.275 -3.718 -4.479
220 H ASN 34 H ASN 34 15.643 -5.542 -5.606
221 HA ASN 34 HA ASN 34 16.481 -5.327 -8.399
222 1HB ASN 34 2HB ASN 34 16.448 -7.559 -6.402
223 2HB ASN 34 1HB ASN 34 16.463 -7.935 -8.122
224 1HD2 ASN 34 1HD2 ASN 34 18.413 -7.883 -5.657
225 2HD2 ASN 34 2HD2 ASN 34 19.877 -7.308 -6.371
226 H GLY 35 H GLY 35 14.168 -7.426 -6.678
227 1HA GLY 35 2HA GLY 35 12.507 -7.562 -9.052
228 2HA GLY 35 1HA GLY 35 12.254 -8.431 -7.546
229 H PHE 36 H PHE 36 10.886 -6.231 -9.489
230 HA PHE 36 HA PHE 36 9.985 -4.300 -7.554
231 1HB PHE 36 2HB PHE 36 8.845 -4.850 -10.304
232 2HB PHE 36 1HB PHE 36 8.656 -3.384 -9.348
233 HD1 PHE 36 1HD PHE 36 10.435 -4.879 -11.961
234 HD2 PHE 36 2HD PHE 36 10.923 -2.222 -8.673
235 HE1 PHE 36 1HE PHE 36 12.439 -3.932 -13.029
236 HE2 PHE 36 2HE PHE 36 12.927 -1.268 -9.735
237 HZ PHE 36 HZ PHE 36 13.687 -2.124 -11.916
238 H TRP 37 H TRP 37 9.377 -6.487 -6.281
239 HA TRP 37 HA TRP 37 6.537 -6.429 -6.067
240 1HB TRP 37 2HB TRP 37 6.664 -7.969 -7.957
241 2HB TRP 37 1HB TRP 37 7.806 -8.985 -7.082
242 HD1 TRP 37 HD TRP 37 6.768 -10.975 -5.858
243 HE1 TRP 37 1HE TRP 37 4.408 -11.625 -5.061
244 HE3 TRP 37 3HE TRP 37 4.290 -6.669 -7.063
245 HZ2 TRP 37 2HZ TRP 37 1.837 -10.465 -4.958
246 HZ3 TRP 37 3HZ TRP 37 1.882 -6.520 -6.581
247 HH2 TRP 37 HH TRP 37 0.682 -8.379 -5.551
Start of MODEL 13
1 HA LYS 1 HA LYS 1 -7.456 -5.385 8.437
2 1HB LYS 1 2HB LYS 1 -8.476 -7.300 7.515
3 2HB LYS 1 1HB LYS 1 -8.850 -6.470 6.004
4 1HG LYS 1 2HG LYS 1 -6.734 -6.717 5.167
5 2HG LYS 1 1HG LYS 1 -5.999 -6.873 6.760
6 1HD LYS 1 2HD LYS 1 -6.711 -9.103 6.996
7 2HD LYS 1 1HD LYS 1 -7.883 -8.955 5.687
8 1HE LYS 1 2HE LYS 1 -5.302 -8.353 4.652
9 2HE LYS 1 1HE LYS 1 -5.193 -9.854 5.568
10 1HZ LYS 1 1HZ LYS 1 -5.770 -10.152 3.193
11 2HZ LYS 1 2HZ LYS 1 -7.229 -9.343 3.469
12 3HZ LYS 1 3HZ LYS 1 -6.915 -10.810 4.250
13 H TYR 2 H TYR 2 -5.359 -5.195 7.542
14 HA TYR 2 HA TYR 2 -5.085 -3.014 5.638
15 1HB TYR 2 2HB TYR 2 -3.589 -3.827 7.851
16 2HB TYR 2 1HB TYR 2 -2.585 -4.221 6.453
17 HD1 TYR 2 1HD TYR 2 -1.317 -2.529 5.450
18 HD2 TYR 2 2HD TYR 2 -4.660 -1.540 7.851
19 HE1 TYR 2 1HE TYR 2 -0.764 -0.160 5.211
20 HE2 TYR 2 2HE TYR 2 -4.111 0.842 7.654
21 HH TYR 2 HH TYR 2 -2.887 2.313 6.102
22 H TYR 3 H TYR 3 -3.175 -3.427 3.989
23 HA TYR 3 HA TYR 3 -3.368 -6.181 2.971
24 1HB TYR 3 2HB TYR 3 -4.156 -3.667 1.602
25 2HB TYR 3 1HB TYR 3 -3.307 -4.867 0.627
26 HD1 TYR 3 1HD TYR 3 -4.235 -7.211 0.531
27 HD2 TYR 3 2HD TYR 3 -6.445 -3.954 2.148
28 HE1 TYR 3 1HE TYR 3 -6.304 -8.517 0.313
29 HE2 TYR 3 2HE TYR 3 -8.521 -5.250 1.927
30 HH TYR 3 HH TYR 3 -8.794 -7.986 0.079
31 H GLY 4 H GLY 4 -1.534 -3.207 3.186
32 1HA GLY 4 2HA GLY 4 0.917 -3.853 3.579
33 2HA GLY 4 1HA GLY 4 0.777 -4.562 1.970
34 H ASN 5 H ASN 5 -0.924 -2.549 0.901
35 HA ASN 5 HA ASN 5 1.051 -0.407 0.522
36 1HB ASN 5 2HB ASN 5 -1.176 -1.532 -1.161
37 2HB ASN 5 1HB ASN 5 -0.554 0.087 -1.480
38 1HD2 ASN 5 1HD2 ASN 5 1.752 0.283 -1.885
39 2HD2 ASN 5 2HD2 ASN 5 2.583 -1.012 -2.671
40 H GLY 6 H GLY 6 -0.208 -0.166 2.896
41 1HA GLY 6 2HA GLY 6 -1.529 1.227 4.165
42 2HA GLY 6 1HA GLY 6 -1.360 2.365 2.841
43 H VAL 7 H VAL 7 -2.803 -0.678 2.127
44 HA VAL 7 HA VAL 7 -5.391 0.692 1.814
45 HB VAL 7 HB VAL 7 -4.273 -1.726 0.415
46 1HG1 VAL 7 1HG1 VAL 7 -7.076 -0.752 0.713
47 2HG1 VAL 7 2HG1 VAL 7 -6.462 -2.407 0.804
48 3HG1 VAL 7 3HG1 VAL 7 -6.577 -1.588 -0.758
49 1HG2 VAL 7 1HG2 VAL 7 -5.546 0.154 -1.273
50 2HG2 VAL 7 2HG2 VAL 7 -3.830 -0.253 -1.190
51 3HG2 VAL 7 3HG2 VAL 7 -4.482 1.047 -0.189
52 H HIS 8 H HIS 8 -7.030 0.218 3.066
53 HA HIS 8 HA HIS 8 -7.236 -2.468 4.171
54 1HB HIS 8 2HB HIS 8 -8.242 -0.957 6.244
55 2HB HIS 8 1HB HIS 8 -6.673 -1.757 6.221
56 HD1 HIS 8 1HD HIS 8 -7.992 1.344 7.079
57 HD2 HIS 8 2HD HIS 8 -4.750 0.121 4.797
58 HE1 HIS 8 1HE HIS 8 -6.478 3.342 6.970
59 HE2 HIS 8 2HE HIS 8 -4.613 2.645 5.425
60 H CYS 9 H CYS 9 -9.241 -3.267 4.071
61 HA CYS 9 HA CYS 9 -11.344 -1.405 3.251
62 1HB CYS 9 2HB CYS 9 -11.359 -4.406 2.960
63 2HB CYS 9 1HB CYS 9 -12.495 -3.257 2.263
64 H THR 10 H THR 10 -12.348 -0.714 5.013
65 HA THR 10 HA THR 10 -12.870 -2.572 7.203
66 HB THR 10 HB THR 10 -13.337 -0.625 8.543
67 HG1 THR 10 1HG THR 10 -13.364 0.694 6.054
68 1HG2 THR 10 1HG2 THR 10 -11.030 0.239 6.838
69 2HG2 THR 10 2HG2 THR 10 -10.916 -1.115 7.963
70 3HG2 THR 10 3HG2 THR 10 -11.289 0.501 8.564
71 H LYS 11 H LYS 11 -15.060 -1.486 8.360
72 HA LYS 11 HA LYS 11 -17.153 -2.728 6.989
73 1HB LYS 11 2HB LYS 11 -18.551 -1.979 8.753
74 2HB LYS 11 1HB LYS 11 -16.969 -2.290 9.458
75 1HG LYS 11 2HG LYS 11 -16.472 0.076 9.477
76 2HG LYS 11 1HG LYS 11 -18.004 0.426 8.675
77 1HD LYS 11 2HD LYS 11 -18.592 -1.143 10.952
78 2HD LYS 11 1HD LYS 11 -17.465 0.116 11.463
79 1HE LYS 11 2HE LYS 11 -20.019 0.580 9.928
80 2HE LYS 11 1HE LYS 11 -19.820 0.813 11.665
81 1HZ LYS 11 1HZ LYS 11 -19.614 2.902 10.501
82 2HZ LYS 11 2HZ LYS 11 -18.378 2.285 9.525
83 3HZ LYS 11 3HZ LYS 11 -18.123 2.486 11.185
84 H SER 12 H SER 12 -15.803 0.380 6.558
85 HA SER 12 HA SER 12 -18.219 1.479 5.364
86 1HB SER 12 2HB SER 12 -15.848 2.573 6.536
87 2HB SER 12 1HB SER 12 -16.014 3.190 4.895
88 HG SER 12 HG SER 12 -17.856 3.376 7.035
89 H GLY 13 H GLY 13 -15.245 -0.037 4.476
90 1HA GLY 13 2HA GLY 13 -15.625 -1.042 2.117
91 2HA GLY 13 1HA GLY 13 -15.615 0.652 1.644
92 H CYS 14 H CYS 14 -13.758 0.047 0.299
93 HA CYS 14 HA CYS 14 -11.308 -0.508 1.775
94 1HB CYS 14 2HB CYS 14 -11.799 -0.321 -1.192
95 2HB CYS 14 1HB CYS 14 -10.250 -0.688 -0.443
96 H SER 15 H SER 15 -9.875 0.928 2.301
97 HA SER 15 HA SER 15 -9.889 3.528 0.927
98 1HB SER 15 2HB SER 15 -9.891 3.184 3.937
99 2HB SER 15 1HB SER 15 -9.700 4.714 3.083
100 HG SER 15 HG SER 15 -11.800 4.762 3.243
101 H VAL 16 H VAL 16 -7.955 4.875 2.052
102 HA VAL 16 HA VAL 16 -5.642 3.119 2.388
103 HB VAL 16 HB VAL 16 -5.695 5.411 0.427
104 1HG1 VAL 16 1HG1 VAL 16 -3.501 5.376 1.046
105 2HG1 VAL 16 2HG1 VAL 16 -3.459 4.112 -0.181
106 3HG1 VAL 16 3HG1 VAL 16 -3.549 3.685 1.529
107 1HG2 VAL 16 1HG2 VAL 16 -5.032 3.343 -1.075
108 2HG2 VAL 16 2HG2 VAL 16 -6.711 3.835 -0.828
109 3HG2 VAL 16 3HG2 VAL 16 -6.028 2.499 0.116
110 H ASN 17 H ASN 17 -4.314 3.817 3.976
111 HA ASN 17 HA ASN 17 -4.943 6.173 5.450
112 1HB ASN 17 2HB ASN 17 -3.146 3.911 5.733
113 2HB ASN 17 1HB ASN 17 -2.371 5.415 6.225
114 1HD2 ASN 17 1HD2 ASN 17 -3.307 3.070 7.780
115 2HD2 ASN 17 2HD2 ASN 17 -4.360 3.718 8.987
116 H TRP 18 H TRP 18 -2.941 5.447 2.792
117 HA TRP 18 HA TRP 18 -1.669 6.672 1.405
118 1HB TRP 18 2HB TRP 18 -2.991 8.901 2.934
119 2HB TRP 18 1HB TRP 18 -1.846 9.206 1.620
120 HD1 TRP 18 HD TRP 18 -5.437 8.649 2.157
121 HE1 TRP 18 1HE TRP 18 -6.617 8.053 -0.046
122 HE3 TRP 18 3HE TRP 18 -1.348 7.633 -0.667
123 HZ2 TRP 18 2HZ TRP 18 -5.888 7.239 -2.648
124 HZ3 TRP 18 3HZ TRP 18 -1.655 6.941 -3.006
125 HH2 TRP 18 HH TRP 18 -3.886 6.729 -3.961
126 H GLY 19 H GLY 19 -1.294 8.236 4.627
127 1HA GLY 19 2HA GLY 19 1.450 8.740 4.226
128 2HA GLY 19 1HA GLY 19 0.666 8.610 5.805
129 H GLU 20 H GLU 20 -0.301 5.882 5.130
130 HA GLU 20 HA GLU 20 1.986 4.405 6.060
131 1HB GLU 20 2HB GLU 20 -0.901 3.928 5.712
132 2HB GLU 20 1HB GLU 20 0.100 2.517 5.381
133 1HG GLU 20 2HG GLU 20 0.539 4.090 7.879
134 2HG GLU 20 1HG GLU 20 -0.803 2.951 7.780
135 H ALA 21 H ALA 21 0.065 4.656 3.113
136 HA ALA 21 HA ALA 21 1.508 2.705 1.621
137 1HB ALA 21 1HB ALA 21 -0.070 5.044 0.578
138 2HB ALA 21 2HB ALA 21 -0.807 3.544 1.145
139 3HB ALA 21 3HB ALA 21 0.273 3.525 -0.252
140 H PHE 22 H PHE 22 1.763 6.160 2.163
141 HA PHE 22 HA PHE 22 3.641 6.803 0.166
142 1HB PHE 22 2HB PHE 22 2.385 8.468 1.577
143 2HB PHE 22 1HB PHE 22 3.404 8.013 2.939
144 HD1 PHE 22 1HD PHE 22 5.892 8.404 2.765
145 HD2 PHE 22 2HD PHE 22 3.103 10.046 0.001
146 HE1 PHE 22 1HE PHE 22 7.577 10.047 2.045
147 HE2 PHE 22 2HE PHE 22 4.784 11.692 -0.723
148 HZ PHE 22 HZ PHE 22 7.025 11.692 0.299
149 H SER 23 H SER 23 3.843 5.504 3.391
150 HA SER 23 HA SER 23 6.685 5.549 3.641
151 1HB SER 23 2HB SER 23 4.698 5.104 5.413
152 2HB SER 23 1HB SER 23 5.141 3.436 5.058
153 HG SER 23 HG SER 23 6.876 3.698 6.198
154 H ALA 24 H ALA 24 4.367 3.402 2.204
155 HA ALA 24 HA ALA 24 6.156 1.181 1.891
156 1HB ALA 24 1HB ALA 24 3.537 1.248 1.911
157 2HB ALA 24 2HB ALA 24 4.388 0.083 0.896
158 3HB ALA 24 3HB ALA 24 3.736 1.560 0.185
159 H GLY 25 H GLY 25 4.839 3.695 -0.236
160 1HA GLY 25 2HA GLY 25 6.203 2.907 -2.570
161 2HA GLY 25 1HA GLY 25 5.562 4.513 -2.255
162 H VAL 26 H VAL 26 7.143 5.002 0.108
163 HA VAL 26 HA VAL 26 9.472 6.068 -1.117
164 HB VAL 26 HB VAL 26 8.881 5.708 1.835
165 1HG1 VAL 26 1HG1 VAL 26 10.546 7.570 2.078
166 2HG1 VAL 26 2HG1 VAL 26 10.969 7.324 0.384
167 3HG1 VAL 26 3HG1 VAL 26 11.229 6.030 1.553
168 1HG2 VAL 26 1HG2 VAL 26 8.735 8.389 0.676
169 2HG2 VAL 26 2HG2 VAL 26 7.641 7.570 1.790
170 3HG2 VAL 26 3HG2 VAL 26 7.517 7.273 0.057
171 H HIS 27 H HIS 27 8.866 3.187 0.849
172 HA HIS 27 HA HIS 27 11.565 2.477 1.243
173 1HB HIS 27 2HB HIS 27 9.123 0.692 1.036
174 2HB HIS 27 1HB HIS 27 10.692 0.195 1.655
175 HD1 HIS 27 1HD HIS 27 10.335 3.455 2.873
176 HD2 HIS 27 2HD HIS 27 8.626 -0.190 3.892
177 HE1 HIS 27 1HE HIS 27 9.489 3.740 5.208
178 HE2 HIS 27 2HE HIS 27 8.558 1.493 5.854
179 H ARG 28 H ARG 28 9.239 1.715 -1.297
180 HA ARG 28 HA ARG 28 11.013 0.078 -2.818
181 1HB ARG 28 2HB ARG 28 8.496 1.503 -3.696
182 2HB ARG 28 1HB ARG 28 9.290 0.185 -4.545
183 1HG ARG 28 2HG ARG 28 8.628 -1.393 -2.974
184 2HG ARG 28 1HG ARG 28 8.313 -0.172 -1.740
185 1HD ARG 28 2HD ARG 28 6.173 -0.695 -2.389
186 2HD ARG 28 1HD ARG 28 6.523 0.666 -3.453
187 HE ARG 28 HE ARG 28 7.273 -1.698 -4.753
188 1HH1 ARG 28 1HH1 ARG 28 4.388 -0.060 -3.670
189 2HH1 ARG 28 2HH1 ARG 28 3.385 -0.748 -4.901
190 1HH2 ARG 28 1HH2 ARG 28 5.953 -2.604 -6.374
191 2HH2 ARG 28 2HH2 ARG 28 4.272 -2.193 -6.437
192 H LEU 29 H LEU 29 9.935 3.445 -3.041
193 HA LEU 29 HA LEU 29 11.358 4.052 -5.417
194 1HB LEU 29 2HB LEU 29 9.492 5.392 -4.922
195 2HB LEU 29 1HB LEU 29 10.049 5.712 -3.291
196 HG LEU 29 HG LEU 29 11.846 7.129 -4.166
197 1HD1 LEU 29 1HD1 LEU 29 10.767 6.201 -6.794
198 2HD1 LEU 29 2HD1 LEU 29 12.438 6.297 -6.240
199 3HD1 LEU 29 3HD1 LEU 29 11.561 7.769 -6.658
200 1HD2 LEU 29 1HD2 LEU 29 9.479 8.188 -5.587
201 2HD2 LEU 29 2HD2 LEU 29 10.519 8.951 -4.384
202 3HD2 LEU 29 3HD2 LEU 29 9.278 7.804 -3.877
203 H ALA 30 H ALA 30 12.012 4.610 -2.010
204 HA ALA 30 HA ALA 30 14.438 6.028 -2.416
205 1HB ALA 30 1HB ALA 30 14.606 6.103 -0.085
206 2HB ALA 30 2HB ALA 30 13.681 4.613 0.116
207 3HB ALA 30 3HB ALA 30 12.870 6.089 -0.406
208 H ASN 31 H ASN 31 13.760 2.755 -2.772
209 HA ASN 31 HA ASN 31 16.275 1.776 -1.752
210 1HB ASN 31 2HB ASN 31 14.163 0.409 -1.772
211 2HB ASN 31 1HB ASN 31 14.310 0.319 -3.525
212 1HD2 ASN 31 1HD2 ASN 31 15.544 -1.220 -4.379
213 2HD2 ASN 31 2HD2 ASN 31 16.590 -2.268 -3.489
214 H GLY 32 H GLY 32 15.048 2.997 -4.741
215 1HA GLY 32 2HA GLY 32 16.606 3.794 -6.395
216 2HA GLY 32 1HA GLY 32 17.671 2.461 -5.974
217 H GLY 33 H GLY 33 14.195 2.245 -6.545
218 1HA GLY 33 2HA GLY 33 12.989 1.208 -8.208
219 2HA GLY 33 1HA GLY 33 14.402 1.371 -9.240
220 H ASN 34 H ASN 34 12.385 -0.810 -7.788
221 HA ASN 34 HA ASN 34 14.384 -2.882 -7.382
222 1HB ASN 34 2HB ASN 34 12.518 -4.267 -6.623
223 2HB ASN 34 1HB ASN 34 12.495 -2.705 -5.809
224 1HD2 ASN 34 1HD2 ASN 34 10.520 -4.910 -6.929
225 2HD2 ASN 34 2HD2 ASN 34 9.215 -3.940 -7.517
226 H GLY 35 H GLY 35 12.158 -1.807 -9.795
227 1HA GLY 35 2HA GLY 35 13.246 -3.552 -11.759
228 2HA GLY 35 1HA GLY 35 11.655 -4.108 -11.254
229 H PHE 36 H PHE 36 12.528 -3.095 -13.862
230 HA PHE 36 HA PHE 36 10.330 -1.311 -14.327
231 1HB PHE 36 2HB PHE 36 12.403 0.088 -13.525
232 2HB PHE 36 1HB PHE 36 12.975 -0.181 -15.167
233 HD1 PHE 36 1HD PHE 36 10.380 1.394 -13.105
234 HD2 PHE 36 2HD PHE 36 11.954 0.917 -17.030
235 HE1 PHE 36 1HE PHE 36 9.005 3.280 -13.881
236 HE2 PHE 36 2HE PHE 36 10.582 2.803 -17.814
237 HZ PHE 36 HZ PHE 36 9.105 3.988 -16.238
238 H TRP 37 H TRP 37 9.471 -2.073 -16.127
239 HA TRP 37 HA TRP 37 10.969 -3.683 -17.968
240 1HB TRP 37 2HB TRP 37 8.775 -3.667 -19.257
241 2HB TRP 37 1HB TRP 37 8.714 -4.335 -17.628
242 HD1 TRP 37 HD TRP 37 7.563 -1.299 -19.664
243 HE1 TRP 37 1HE TRP 37 5.710 -0.087 -18.351
244 HE3 TRP 37 3HE TRP 37 7.812 -3.931 -15.287
245 HZ2 TRP 37 2HZ TRP 37 4.513 -0.227 -15.798
246 HZ3 TRP 37 3HZ TRP 37 6.279 -3.328 -13.460
247 HH2 TRP 37 HH TRP 37 4.664 -1.513 -13.711
Start of MODEL 14
1 HA LYS 1 HA LYS 1 -7.039 -6.003 7.545
2 1HB LYS 1 2HB LYS 1 -7.887 -6.748 5.286
3 2HB LYS 1 1HB LYS 1 -9.026 -6.925 6.613
4 1HG LYS 1 2HG LYS 1 -9.753 -4.504 5.766
5 2HG LYS 1 1HG LYS 1 -9.103 -5.144 4.253
6 1HD LYS 1 2HD LYS 1 -11.096 -6.644 5.936
7 2HD LYS 1 1HD LYS 1 -11.578 -5.515 4.670
8 1HE LYS 1 2HE LYS 1 -11.428 -7.214 3.239
9 2HE LYS 1 1HE LYS 1 -9.679 -7.140 3.459
10 1HZ LYS 1 1HZ LYS 1 -10.574 -9.371 3.833
11 2HZ LYS 1 2HZ LYS 1 -11.532 -8.785 5.098
12 3HZ LYS 1 3HZ LYS 1 -9.846 -8.750 5.230
13 H TYR 2 H TYR 2 -5.058 -5.190 7.103
14 HA TYR 2 HA TYR 2 -4.746 -2.998 5.245
15 1HB TYR 2 2HB TYR 2 -3.286 -3.919 7.427
16 2HB TYR 2 1HB TYR 2 -2.258 -4.258 6.035
17 HD1 TYR 2 1HD TYR 2 -4.266 -1.609 7.596
18 HD2 TYR 2 2HD TYR 2 -0.989 -2.521 5.085
19 HE1 TYR 2 1HE TYR 2 -3.628 0.770 7.573
20 HE2 TYR 2 2HE TYR 2 -0.350 -0.168 5.026
21 HH TYR 2 HH TYR 2 -2.361 2.325 6.394
22 H TYR 3 H TYR 3 -3.677 -3.096 3.253
23 HA TYR 3 HA TYR 3 -3.431 -5.821 2.132
24 1HB TYR 3 2HB TYR 3 -4.353 -3.218 1.004
25 2HB TYR 3 1HB TYR 3 -3.545 -4.343 -0.086
26 HD1 TYR 3 1HD TYR 3 -6.625 -3.482 1.501
27 HD2 TYR 3 2HD TYR 3 -4.470 -6.728 -0.201
28 HE1 TYR 3 1HE TYR 3 -8.726 -4.729 1.236
29 HE2 TYR 3 2HE TYR 3 -6.564 -7.987 -0.465
30 HH TYR 3 HH TYR 3 -9.653 -6.529 -0.006
31 H GLY 4 H GLY 4 -1.314 -4.563 3.645
32 1HA GLY 4 2HA GLY 4 0.921 -4.025 3.501
33 2HA GLY 4 1HA GLY 4 0.921 -5.165 2.165
34 H ASN 5 H ASN 5 -1.091 -2.411 1.784
35 HA ASN 5 HA ASN 5 0.951 -0.840 0.419
36 1HB ASN 5 2HB ASN 5 -1.357 -2.221 -0.918
37 2HB ASN 5 1HB ASN 5 -0.851 -0.640 -1.506
38 1HD2 ASN 5 1HD2 ASN 5 -0.544 -3.790 -2.082
39 2HD2 ASN 5 2HD2 ASN 5 1.038 -3.839 -2.775
40 H GLY 6 H GLY 6 -0.177 -0.172 2.779
41 1HA GLY 6 2HA GLY 6 -1.586 1.295 3.883
42 2HA GLY 6 1HA GLY 6 -1.122 2.357 2.569
43 H VAL 7 H VAL 7 -3.247 -0.496 2.813
44 HA VAL 7 HA VAL 7 -5.530 1.142 2.003
45 HB VAL 7 HB VAL 7 -4.545 -1.230 0.426
46 1HG1 VAL 7 1HG1 VAL 7 -7.266 -0.026 0.662
47 2HG1 VAL 7 2HG1 VAL 7 -6.802 -1.730 0.648
48 3HG1 VAL 7 3HG1 VAL 7 -6.752 -0.790 -0.845
49 1HG2 VAL 7 1HG2 VAL 7 -4.203 1.474 0.058
50 2HG2 VAL 7 2HG2 VAL 7 -5.591 1.101 -0.964
51 3HG2 VAL 7 3HG2 VAL 7 -4.068 0.240 -1.192
52 H HIS 8 H HIS 8 -6.847 0.776 3.659
53 HA HIS 8 HA HIS 8 -7.250 -2.016 4.471
54 1HB HIS 8 2HB HIS 8 -8.331 -0.341 6.474
55 2HB HIS 8 1HB HIS 8 -6.916 -1.378 6.589
56 HD1 HIS 8 1HD HIS 8 -7.669 1.778 7.555
57 HD2 HIS 8 2HD HIS 8 -4.728 0.329 5.000
58 HE1 HIS 8 1HE HIS 8 -5.900 3.558 7.504
59 HE2 HIS 8 2HE HIS 8 -4.208 2.734 5.827
60 H CYS 9 H CYS 9 -9.254 -2.851 4.407
61 HA CYS 9 HA CYS 9 -11.384 -1.073 3.474
62 1HB CYS 9 2HB CYS 9 -10.462 -3.421 2.370
63 2HB CYS 9 1HB CYS 9 -11.902 -3.936 3.241
64 H THR 10 H THR 10 -11.609 -0.405 5.656
65 HA THR 10 HA THR 10 -12.758 -2.337 7.514
66 HB THR 10 HB THR 10 -12.309 -0.799 9.225
67 HG1 THR 10 1HG THR 10 -12.314 1.147 7.180
68 1HG2 THR 10 1HG2 THR 10 -10.213 -1.561 7.864
69 2HG2 THR 10 2HG2 THR 10 -10.072 -0.337 9.126
70 3HG2 THR 10 3HG2 THR 10 -10.133 0.148 7.431
71 H LYS 11 H LYS 11 -14.759 -2.362 8.209
72 HA LYS 11 HA LYS 11 -16.920 -1.759 8.600
73 1HB LYS 11 2HB LYS 11 -16.456 0.691 6.894
74 2HB LYS 11 1HB LYS 11 -17.838 0.374 7.927
75 1HG LYS 11 2HG LYS 11 -15.894 0.175 9.739
76 2HG LYS 11 1HG LYS 11 -15.126 1.284 8.604
77 1HD LYS 11 2HD LYS 11 -17.795 2.153 8.953
78 2HD LYS 11 1HD LYS 11 -17.136 1.825 10.557
79 1HE LYS 11 2HE LYS 11 -15.447 3.399 10.323
80 2HE LYS 11 1HE LYS 11 -15.552 3.393 8.563
81 1HZ LYS 11 1HZ LYS 11 -17.666 4.534 8.709
82 2HZ LYS 11 2HZ LYS 11 -16.477 5.416 9.525
83 3HZ LYS 11 3HZ LYS 11 -17.604 4.507 10.399
84 H SER 12 H SER 12 -16.804 -0.257 5.431
85 HA SER 12 HA SER 12 -17.696 -2.673 4.114
86 1HB SER 12 2HB SER 12 -19.611 -0.833 5.103
87 2HB SER 12 1HB SER 12 -19.592 -0.684 3.349
88 HG SER 12 HG SER 12 -19.700 -3.200 4.625
89 H GLY 13 H GLY 13 -15.530 -0.563 3.998
90 1HA GLY 13 2HA GLY 13 -15.464 -0.388 1.116
91 2HA GLY 13 1HA GLY 13 -15.622 1.167 1.921
92 H CYS 14 H CYS 14 -13.439 0.526 0.309
93 HA CYS 14 HA CYS 14 -11.267 -0.062 2.157
94 1HB CYS 14 2HB CYS 14 -11.304 0.236 -0.828
95 2HB CYS 14 1HB CYS 14 -9.841 0.019 0.121
96 H SER 15 H SER 15 -9.709 1.280 2.723
97 HA SER 15 HA SER 15 -9.864 4.052 1.761
98 1HB SER 15 2HB SER 15 -9.360 4.754 4.158
99 2HB SER 15 1HB SER 15 -10.997 4.170 3.852
100 HG SER 15 HG SER 15 -10.308 3.126 5.663
101 H VAL 16 H VAL 16 -7.876 5.305 2.431
102 HA VAL 16 HA VAL 16 -5.528 3.556 2.625
103 HB VAL 16 HB VAL 16 -5.804 5.832 0.660
104 1HG1 VAL 16 1HG1 VAL 16 -3.512 4.424 1.789
105 2HG1 VAL 16 2HG1 VAL 16 -3.582 5.938 0.901
106 3HG1 VAL 16 3HG1 VAL 16 -3.540 4.411 0.028
107 1HG2 VAL 16 1HG2 VAL 16 -5.176 3.795 -0.876
108 2HG2 VAL 16 2HG2 VAL 16 -6.857 4.140 -0.448
109 3HG2 VAL 16 3HG2 VAL 16 -5.962 2.884 0.417
110 H ASN 17 H ASN 17 -4.289 4.152 4.261
111 HA ASN 17 HA ASN 17 -4.623 6.547 5.725
112 1HB ASN 17 2HB ASN 17 -2.875 4.193 5.799
113 2HB ASN 17 1HB ASN 17 -2.075 5.664 6.344
114 1HD2 ASN 17 1HD2 ASN 17 -2.547 3.502 8.002
115 2HD2 ASN 17 2HD2 ASN 17 -3.695 3.956 9.212
116 H TRP 18 H TRP 18 -2.811 5.673 2.957
117 HA TRP 18 HA TRP 18 -1.543 6.789 1.482
118 1HB TRP 18 2HB TRP 18 -2.702 9.121 2.995
119 2HB TRP 18 1HB TRP 18 -1.585 9.345 1.643
120 HD1 TRP 18 HD TRP 18 -5.176 8.963 2.322
121 HE1 TRP 18 1HE TRP 18 -6.471 8.408 0.171
122 HE3 TRP 18 3HE TRP 18 -1.249 7.767 -0.668
123 HZ2 TRP 18 2HZ TRP 18 -5.889 7.565 -2.458
124 HZ3 TRP 18 3HZ TRP 18 -1.689 7.087 -2.995
125 HH2 TRP 18 HH TRP 18 -3.967 6.978 -3.861
126 H GLY 19 H GLY 19 -0.968 8.472 4.607
127 1HA GLY 19 2HA GLY 19 1.761 8.843 4.135
128 2HA GLY 19 1HA GLY 19 1.033 8.728 5.738
129 H GLU 20 H GLU 20 -0.037 6.046 5.177
130 HA GLU 20 HA GLU 20 2.246 4.498 5.983
131 1HB GLU 20 2HB GLU 20 -0.638 4.182 5.961
132 2HB GLU 20 1HB GLU 20 0.149 2.734 5.329
133 1HG GLU 20 2HG GLU 20 1.122 3.957 7.870
134 2HG GLU 20 1HG GLU 20 -0.331 2.959 7.871
135 H ALA 21 H ALA 21 0.152 4.713 3.145
136 HA ALA 21 HA ALA 21 1.472 2.693 1.625
137 1HB ALA 21 1HB ALA 21 0.147 3.469 -0.191
138 2HB ALA 21 2HB ALA 21 -0.087 5.039 0.578
139 3HB ALA 21 3HB ALA 21 -0.855 3.605 1.253
140 H PHE 22 H PHE 22 1.684 6.187 1.892
141 HA PHE 22 HA PHE 22 3.493 6.717 -0.182
142 1HB PHE 22 2HB PHE 22 2.275 8.494 0.946
143 2HB PHE 22 1HB PHE 22 3.032 8.086 2.482
144 HD1 PHE 22 1HD PHE 22 4.192 8.839 -0.977
145 HD2 PHE 22 2HD PHE 22 4.586 9.557 3.185
146 HE1 PHE 22 1HE PHE 22 5.973 10.468 -1.440
147 HE2 PHE 22 2HE PHE 22 6.376 11.199 2.739
148 HZ PHE 22 HZ PHE 22 7.069 11.649 0.418
149 H SER 23 H SER 23 3.882 5.802 3.165
150 HA SER 23 HA SER 23 6.737 5.958 3.198
151 1HB SER 23 2HB SER 23 4.826 4.449 5.015
152 2HB SER 23 1HB SER 23 6.548 4.671 5.324
153 HG SER 23 HG SER 23 5.906 6.430 6.277
154 H ALA 24 H ALA 24 4.396 3.578 2.243
155 HA ALA 24 HA ALA 24 6.206 1.348 2.183
156 1HB ALA 24 1HB ALA 24 4.087 0.538 2.327
157 2HB ALA 24 2HB ALA 24 4.221 0.563 0.567
158 3HB ALA 24 3HB ALA 24 3.402 1.880 1.408
159 H GLY 25 H GLY 25 4.654 3.360 -0.293
160 1HA GLY 25 2HA GLY 25 5.965 2.279 -2.514
161 2HA GLY 25 1HA GLY 25 5.266 3.887 -2.441
162 H VAL 26 H VAL 26 6.881 5.019 -0.433
163 HA VAL 26 HA VAL 26 9.126 5.809 -1.961
164 HB VAL 26 HB VAL 26 8.558 6.184 0.988
165 1HG1 VAL 26 1HG1 VAL 26 10.217 8.132 0.629
166 2HG1 VAL 26 2HG1 VAL 26 10.770 7.200 -0.763
167 3HG1 VAL 26 3HG1 VAL 26 10.863 6.506 0.855
168 1HG2 VAL 26 1HG2 VAL 26 8.221 8.009 -1.385
169 2HG2 VAL 26 2HG2 VAL 26 7.940 8.444 0.301
170 3HG2 VAL 26 3HG2 VAL 26 6.933 7.219 -0.474
171 H HIS 27 H HIS 27 8.835 3.543 0.775
172 HA HIS 27 HA HIS 27 11.600 3.121 1.086
173 1HB HIS 27 2HB HIS 27 9.268 1.262 1.622
174 2HB HIS 27 1HB HIS 27 10.924 0.936 2.119
175 HD1 HIS 27 1HD HIS 27 9.976 4.449 2.410
176 HD2 HIS 27 2HD HIS 27 9.819 1.054 4.796
177 HE1 HIS 27 1HE HIS 27 9.543 5.281 4.721
178 HE2 HIS 27 2HE HIS 27 9.378 3.213 6.153
179 H ARG 28 H ARG 28 9.177 1.584 -0.949
180 HA ARG 28 HA ARG 28 10.959 -0.305 -2.120
181 1HB ARG 28 2HB ARG 28 8.657 -0.872 -2.107
182 2HB ARG 28 1HB ARG 28 8.192 0.668 -2.811
183 1HG ARG 28 2HG ARG 28 8.335 -0.153 -4.859
184 2HG ARG 28 1HG ARG 28 9.975 -0.738 -4.572
185 1HD ARG 28 2HD ARG 28 7.421 -2.165 -3.837
186 2HD ARG 28 1HD ARG 28 8.486 -2.571 -5.180
187 HE ARG 28 HE ARG 28 10.087 -3.370 -3.644
188 1HH1 ARG 28 1HH1 ARG 28 7.143 -2.324 -2.070
189 2HH1 ARG 28 2HH1 ARG 28 7.485 -3.173 -0.603
190 1HH2 ARG 28 1HH2 ARG 28 10.531 -4.479 -1.713
191 2HH2 ARG 28 2HH2 ARG 28 9.407 -4.393 -0.397
192 H LEU 29 H LEU 29 9.647 2.830 -3.185
193 HA LEU 29 HA LEU 29 10.944 2.750 -5.701
194 1HB LEU 29 2HB LEU 29 9.874 4.680 -6.181
195 2HB LEU 29 1HB LEU 29 8.886 4.145 -4.840
196 HG LEU 29 HG LEU 29 10.522 5.655 -3.429
197 1HD1 LEU 29 1HD1 LEU 29 12.045 6.197 -5.241
198 2HD1 LEU 29 2HD1 LEU 29 11.207 7.649 -4.700
199 3HD1 LEU 29 3HD1 LEU 29 10.712 6.849 -6.192
200 1HD2 LEU 29 1HD2 LEU 29 8.971 7.532 -3.755
201 2HD2 LEU 29 2HD2 LEU 29 8.125 5.991 -3.612
202 3HD2 LEU 29 3HD2 LEU 29 8.332 6.738 -5.195
203 H ALA 30 H ALA 30 11.674 4.379 -2.673
204 HA ALA 30 HA ALA 30 14.114 5.510 -3.671
205 1HB ALA 30 1HB ALA 30 13.869 5.475 -0.783
206 2HB ALA 30 2HB ALA 30 12.404 6.062 -1.569
207 3HB ALA 30 3HB ALA 30 13.953 6.840 -1.897
208 H ASN 31 H ASN 31 13.767 3.589 -0.701
209 HA ASN 31 HA ASN 31 15.239 2.155 0.296
210 1HB ASN 31 2HB ASN 31 14.102 0.492 -0.914
211 2HB ASN 31 1HB ASN 31 14.789 0.997 -2.450
212 1HD2 ASN 31 1HD2 ASN 31 15.279 -1.253 -2.733
213 2HD2 ASN 31 2HD2 ASN 31 16.690 -1.928 -2.001
214 H GLY 32 H GLY 32 16.820 3.978 0.347
215 1HA GLY 32 2HA GLY 32 19.377 3.344 0.160
216 2HA GLY 32 1HA GLY 32 19.047 3.706 -1.528
217 H GLY 33 H GLY 33 18.261 5.881 -2.042
218 1HA GLY 33 2HA GLY 33 18.415 8.172 -1.913
219 2HA GLY 33 1HA GLY 33 18.288 7.992 -0.168
220 H ASN 34 H ASN 34 20.733 7.040 -2.571
221 HA ASN 34 HA ASN 34 22.677 8.838 -1.375
222 1HB ASN 34 2HB ASN 34 22.842 5.844 -1.192
223 2HB ASN 34 1HB ASN 34 24.314 6.806 -1.282
224 1HD2 ASN 34 1HD2 ASN 34 23.989 8.887 0.237
225 2HD2 ASN 34 2HD2 ASN 34 23.586 8.469 1.864
226 H GLY 35 H GLY 35 22.793 9.871 -3.355
227 1HA GLY 35 2HA GLY 35 24.107 10.191 -5.288
228 2HA GLY 35 1HA GLY 35 24.359 8.452 -5.379
229 H PHE 36 H PHE 36 22.885 10.978 -6.867
230 HA PHE 36 HA PHE 36 21.309 9.256 -8.539
231 1HB PHE 36 2HB PHE 36 20.029 10.811 -6.392
232 2HB PHE 36 1HB PHE 36 19.321 11.072 -7.982
233 HD1 PHE 36 1HD PHE 36 19.580 8.859 -5.174
234 HD2 PHE 36 2HD PHE 36 18.505 9.081 -9.285
235 HE1 PHE 36 1HE PHE 36 18.323 6.758 -4.954
236 HE2 PHE 36 2HE PHE 36 17.243 6.981 -9.070
237 HZ PHE 36 HZ PHE 36 17.152 5.817 -6.903
238 H TRP 37 H TRP 37 23.521 11.077 -8.828
239 HA TRP 37 HA TRP 37 24.291 12.605 -10.326
240 1HB TRP 37 2HB TRP 37 21.729 11.734 -11.487
241 2HB TRP 37 1HB TRP 37 22.288 13.308 -12.044
242 HD1 TRP 37 HD TRP 37 24.189 9.967 -11.435
243 HE1 TRP 37 1HE TRP 37 25.579 9.462 -13.542
244 HE3 TRP 37 3HE TRP 37 22.799 13.965 -14.304
245 HZ2 TRP 37 2HZ TRP 37 26.028 10.607 -16.082
246 HZ3 TRP 37 3HZ TRP 37 23.756 14.186 -16.560
247 HH2 TRP 37 HH TRP 37 25.337 12.541 -17.429
Start of MODEL 15
1 HA LYS 1 HA LYS 1 -7.102 -6.170 6.507
2 1HB LYS 1 2HB LYS 1 -7.416 -7.426 4.492
3 2HB LYS 1 1HB LYS 1 -9.006 -7.164 5.197
4 1HG LYS 1 2HG LYS 1 -9.443 -5.391 3.596
5 2HG LYS 1 1HG LYS 1 -7.823 -5.577 2.922
6 1HD LYS 1 2HD LYS 1 -9.450 -6.720 1.527
7 2HD LYS 1 1HD LYS 1 -8.371 -7.889 2.292
8 1HE LYS 1 2HE LYS 1 -10.802 -8.517 2.295
9 2HE LYS 1 1HE LYS 1 -10.026 -8.508 3.877
10 1HZ LYS 1 1HZ LYS 1 -12.241 -7.457 3.858
11 2HZ LYS 1 2HZ LYS 1 -11.659 -6.274 2.800
12 3HZ LYS 1 3HZ LYS 1 -11.021 -6.398 4.361
13 H TYR 2 H TYR 2 -5.058 -5.495 6.148
14 HA TYR 2 HA TYR 2 -4.604 -3.197 4.478
15 1HB TYR 2 2HB TYR 2 -3.382 -4.196 6.712
16 2HB TYR 2 1HB TYR 2 -2.219 -4.547 5.434
17 HD1 TYR 2 1HD TYR 2 -4.088 -1.975 7.152
18 HD2 TYR 2 2HD TYR 2 -1.090 -2.748 4.286
19 HE1 TYR 2 1HE TYR 2 -3.410 0.382 7.247
20 HE2 TYR 2 2HE TYR 2 -0.407 -0.417 4.332
21 HH TYR 2 HH TYR 2 -0.522 1.449 6.013
22 H TYR 3 H TYR 3 -3.727 -3.178 2.482
23 HA TYR 3 HA TYR 3 -3.089 -5.786 1.274
24 1HB TYR 3 2HB TYR 3 -4.257 -3.257 0.198
25 2HB TYR 3 1HB TYR 3 -3.346 -4.299 -0.891
26 HD1 TYR 3 1HD TYR 3 -6.487 -3.775 0.771
27 HD2 TYR 3 2HD TYR 3 -4.072 -6.723 -1.119
28 HE1 TYR 3 1HE TYR 3 -8.466 -5.194 0.478
29 HE2 TYR 3 2HE TYR 3 -6.051 -8.155 -1.415
30 HH TYR 3 HH TYR 3 -8.766 -7.530 -1.565
31 H GLY 4 H GLY 4 -1.146 -4.520 2.876
32 1HA GLY 4 2HA GLY 4 1.011 -3.702 2.856
33 2HA GLY 4 1HA GLY 4 1.166 -4.777 1.473
34 H ASN 5 H ASN 5 -0.999 -2.092 1.286
35 HA ASN 5 HA ASN 5 0.953 -0.377 -0.030
36 1HB ASN 5 2HB ASN 5 -1.199 -1.865 -1.409
37 2HB ASN 5 1HB ASN 5 -1.097 -0.151 -1.807
38 1HD2 ASN 5 1HD2 ASN 5 -0.538 -2.464 -3.475
39 2HD2 ASN 5 2HD2 ASN 5 1.102 -2.300 -3.993
40 H GLY 6 H GLY 6 -0.293 -0.107 2.440
41 1HA GLY 6 2HA GLY 6 -1.473 1.402 3.697
42 2HA GLY 6 1HA GLY 6 -1.322 2.483 2.327
43 H VAL 7 H VAL 7 -2.880 -0.437 1.559
44 HA VAL 7 HA VAL 7 -5.475 0.962 1.546
45 HB VAL 7 HB VAL 7 -4.472 -1.335 -0.123
46 1HG1 VAL 7 1HG1 VAL 7 -6.829 -1.164 -1.133
47 2HG1 VAL 7 2HG1 VAL 7 -7.258 -0.356 0.380
48 3HG1 VAL 7 3HG1 VAL 7 -6.655 -2.011 0.406
49 1HG2 VAL 7 1HG2 VAL 7 -4.389 0.143 -1.820
50 2HG2 VAL 7 2HG2 VAL 7 -4.357 1.357 -0.542
51 3HG2 VAL 7 3HG2 VAL 7 -5.884 0.935 -1.323
52 H HIS 8 H HIS 8 -6.898 0.438 3.026
53 HA HIS 8 HA HIS 8 -7.000 -2.338 3.935
54 1HB HIS 8 2HB HIS 8 -7.852 -0.868 6.142
55 2HB HIS 8 1HB HIS 8 -6.338 -1.750 5.991
56 HD1 HIS 8 1HD HIS 8 -7.359 1.322 7.134
57 HD2 HIS 8 2HD HIS 8 -4.485 0.166 4.370
58 HE1 HIS 8 1HE HIS 8 -5.756 3.241 7.006
59 HE2 HIS 8 2HE HIS 8 -3.935 2.457 5.446
60 H CYS 9 H CYS 9 -8.986 -3.168 4.209
61 HA CYS 9 HA CYS 9 -11.197 -1.375 3.542
62 1HB CYS 9 2HB CYS 9 -11.202 -4.380 3.304
63 2HB CYS 9 1HB CYS 9 -12.389 -3.246 2.668
64 H THR 10 H THR 10 -11.996 -0.678 5.407
65 HA THR 10 HA THR 10 -12.206 -2.519 7.658
66 HB THR 10 HB THR 10 -12.674 -0.539 8.999
67 HG1 THR 10 1HG THR 10 -12.842 0.702 6.479
68 1HG2 THR 10 1HG2 THR 10 -10.264 -1.064 8.092
69 2HG2 THR 10 2HG2 THR 10 -10.600 0.400 9.014
70 3HG2 THR 10 3HG2 THR 10 -10.494 0.472 7.256
71 H LYS 11 H LYS 11 -14.309 -1.498 9.036
72 HA LYS 11 HA LYS 11 -16.466 -2.879 7.940
73 1HB LYS 11 2HB LYS 11 -17.702 -2.141 9.818
74 2HB LYS 11 1HB LYS 11 -16.038 -2.325 10.356
75 1HG LYS 11 2HG LYS 11 -16.276 -0.294 11.236
76 2HG LYS 11 1HG LYS 11 -16.113 0.298 9.581
77 1HD LYS 11 2HD LYS 11 -18.473 0.407 9.301
78 2HD LYS 11 1HD LYS 11 -18.754 -0.473 10.803
79 1HE LYS 11 2HE LYS 11 -17.787 1.399 12.064
80 2HE LYS 11 1HE LYS 11 -17.548 2.280 10.555
81 1HZ LYS 11 1HZ LYS 11 -19.929 2.277 10.203
82 2HZ LYS 11 2HZ LYS 11 -19.565 2.976 11.700
83 3HZ LYS 11 3HZ LYS 11 -20.172 1.398 11.629
84 H SER 12 H SER 12 -15.337 0.273 7.247
85 HA SER 12 HA SER 12 -17.922 1.181 6.256
86 1HB SER 12 2HB SER 12 -15.531 2.459 7.163
87 2HB SER 12 1HB SER 12 -15.873 2.991 5.520
88 HG SER 12 HG SER 12 -17.807 2.972 7.591
89 H GLY 13 H GLY 13 -14.891 -0.099 5.130
90 1HA GLY 13 2HA GLY 13 -15.452 -1.254 2.853
91 2HA GLY 13 1HA GLY 13 -15.594 0.420 2.331
92 H CYS 14 H CYS 14 -13.849 -0.161 0.826
93 HA CYS 14 HA CYS 14 -11.235 -0.523 2.049
94 1HB CYS 14 2HB CYS 14 -12.001 -0.393 -0.860
95 2HB CYS 14 1HB CYS 14 -10.392 -0.729 -0.233
96 H SER 15 H SER 15 -9.882 0.991 2.455
97 HA SER 15 HA SER 15 -10.039 3.522 0.985
98 1HB SER 15 2HB SER 15 -9.667 3.664 3.952
99 2HB SER 15 1HB SER 15 -10.302 4.881 2.844
100 HG SER 15 HG SER 15 -11.587 2.589 3.878
101 H VAL 16 H VAL 16 -8.151 4.982 1.685
102 HA VAL 16 HA VAL 16 -5.752 3.340 2.167
103 HB VAL 16 HB VAL 16 -5.930 5.628 0.206
104 1HG1 VAL 16 1HG1 VAL 16 -3.718 3.983 1.284
105 2HG1 VAL 16 2HG1 VAL 16 -3.726 5.649 0.721
106 3HG1 VAL 16 3HG1 VAL 16 -3.678 4.332 -0.446
107 1HG2 VAL 16 1HG2 VAL 16 -6.969 4.036 -1.006
108 2HG2 VAL 16 2HG2 VAL 16 -6.219 2.714 -0.102
109 3HG2 VAL 16 3HG2 VAL 16 -5.292 3.587 -1.335
110 H ASN 17 H ASN 17 -4.552 4.072 3.817
111 HA ASN 17 HA ASN 17 -5.202 6.504 5.148
112 1HB ASN 17 2HB ASN 17 -3.581 4.194 5.656
113 2HB ASN 17 1HB ASN 17 -2.636 5.645 5.984
114 1HD2 ASN 17 1HD2 ASN 17 -2.612 5.493 8.172
115 2HD2 ASN 17 2HD2 ASN 17 -4.018 5.625 9.167
116 H TRP 18 H TRP 18 -3.233 5.681 2.525
117 HA TRP 18 HA TRP 18 -1.870 6.821 1.143
118 1HB TRP 18 2HB TRP 18 -3.169 9.113 2.594
119 2HB TRP 18 1HB TRP 18 -1.996 9.365 1.296
120 HD1 TRP 18 HD TRP 18 -5.610 8.940 1.783
121 HE1 TRP 18 1HE TRP 18 -6.783 8.359 -0.427
122 HE3 TRP 18 3HE TRP 18 -1.525 7.727 -0.977
123 HZ2 TRP 18 2HZ TRP 18 -6.058 7.475 -3.006
124 HZ3 TRP 18 3HZ TRP 18 -1.836 7.010 -3.309
125 HH2 TRP 18 HH TRP 18 -4.062 6.868 -4.287
126 H GLY 19 H GLY 19 -1.513 8.598 4.255
127 1HA GLY 19 2HA GLY 19 1.235 8.985 3.911
128 2HA GLY 19 1HA GLY 19 0.427 8.928 5.480
129 H GLU 20 H GLU 20 -0.559 6.162 4.803
130 HA GLU 20 HA GLU 20 1.695 4.707 5.857
131 1HB GLU 20 2HB GLU 20 -1.180 4.219 5.494
132 2HB GLU 20 1HB GLU 20 -0.187 2.804 5.130
133 1HG GLU 20 2HG GLU 20 0.429 2.514 7.277
134 2HG GLU 20 1HG GLU 20 0.496 4.242 7.614
135 H ALA 21 H ALA 21 -0.161 4.850 2.865
136 HA ALA 21 HA ALA 21 1.307 2.864 1.459
137 1HB ALA 21 1HB ALA 21 -0.984 3.722 0.903
138 2HB ALA 21 2HB ALA 21 0.129 3.650 -0.463
139 3HB ALA 21 3HB ALA 21 -0.212 5.195 0.321
140 H PHE 22 H PHE 22 1.547 6.342 1.847
141 HA PHE 22 HA PHE 22 3.484 6.894 -0.114
142 1HB PHE 22 2HB PHE 22 2.174 8.619 1.144
143 2HB PHE 22 1HB PHE 22 3.113 8.236 2.584
144 HD1 PHE 22 1HD PHE 22 5.645 8.554 2.457
145 HD2 PHE 22 2HD PHE 22 2.936 10.201 -0.381
146 HE1 PHE 22 1HE PHE 22 7.361 10.180 1.769
147 HE2 PHE 22 2HE PHE 22 4.645 11.830 -1.074
148 HZ PHE 22 HZ PHE 22 6.861 11.819 0.000
149 H SER 23 H SER 23 3.620 5.808 3.196
150 HA SER 23 HA SER 23 6.475 5.869 3.447
151 1HB SER 23 2HB SER 23 4.186 4.893 5.073
152 2HB SER 23 1HB SER 23 5.731 4.091 5.346
153 HG SER 23 HG SER 23 6.395 5.800 6.358
154 H ALA 24 H ALA 24 4.116 3.590 2.283
155 HA ALA 24 HA ALA 24 5.863 1.317 2.294
156 1HB ALA 24 1HB ALA 24 3.486 1.522 0.499
157 2HB ALA 24 2HB ALA 24 3.257 1.422 2.245
158 3HB ALA 24 3HB ALA 24 4.101 0.130 1.390
159 H GLY 25 H GLY 25 4.659 3.532 -0.204
160 1HA GLY 25 2HA GLY 25 6.079 2.383 -2.353
161 2HA GLY 25 1HA GLY 25 5.441 4.023 -2.306
162 H VAL 26 H VAL 26 6.932 5.012 -0.117
163 HA VAL 26 HA VAL 26 9.318 5.768 -1.439
164 HB VAL 26 HB VAL 26 8.593 6.025 1.500
165 1HG1 VAL 26 1HG1 VAL 26 10.360 8.064 0.521
166 2HG1 VAL 26 2HG1 VAL 26 11.058 6.474 0.229
167 3HG1 VAL 26 3HG1 VAL 26 10.584 6.941 1.862
168 1HG2 VAL 26 1HG2 VAL 26 7.505 7.957 1.037
169 2HG2 VAL 26 2HG2 VAL 26 7.242 7.151 -0.508
170 3HG2 VAL 26 3HG2 VAL 26 8.533 8.340 -0.343
171 H HIS 27 H HIS 27 8.675 3.385 1.103
172 HA HIS 27 HA HIS 27 11.363 2.793 1.681
173 1HB HIS 27 2HB HIS 27 8.882 1.065 1.870
174 2HB HIS 27 1HB HIS 27 10.453 0.605 2.517
175 HD1 HIS 27 1HD HIS 27 9.793 4.148 2.929
176 HD2 HIS 27 2HD HIS 27 8.986 0.665 5.040
177 HE1 HIS 27 1HE HIS 27 9.173 4.890 5.233
178 HE2 HIS 27 2HE HIS 27 8.799 2.769 6.534
179 H ARG 28 H ARG 28 9.150 1.690 -0.797
180 HA ARG 28 HA ARG 28 10.887 -0.343 -1.818
181 1HB ARG 28 2HB ARG 28 8.444 1.003 -2.984
182 2HB ARG 28 1HB ARG 28 9.291 -0.329 -3.757
183 1HG ARG 28 2HG ARG 28 8.871 -1.659 -1.655
184 2HG ARG 28 1HG ARG 28 7.787 -0.358 -1.160
185 1HD ARG 28 2HD ARG 28 6.160 -1.209 -2.408
186 2HD ARG 28 1HD ARG 28 7.173 -1.087 -3.847
187 HE ARG 28 HE ARG 28 7.960 -3.357 -2.429
188 1HH1 ARG 28 1HH1 ARG 28 5.173 -2.194 -4.179
189 2HH1 ARG 28 2HH1 ARG 28 4.656 -3.777 -4.655
190 1HH2 ARG 28 1HH2 ARG 28 7.281 -5.438 -3.054
191 2HH2 ARG 28 2HH2 ARG 28 5.853 -5.618 -4.016
192 H LEU 29 H LEU 29 10.019 2.951 -2.859
193 HA LEU 29 HA LEU 29 11.731 2.952 -5.121
194 1HB LEU 29 2HB LEU 29 10.747 5.400 -3.712
195 2HB LEU 29 1HB LEU 29 11.145 5.213 -5.409
196 HG LEU 29 HG LEU 29 8.731 4.187 -3.955
197 1HD1 LEU 29 1HD1 LEU 29 7.534 5.699 -5.155
198 2HD1 LEU 29 2HD1 LEU 29 8.662 5.677 -6.511
199 3HD1 LEU 29 3HD1 LEU 29 9.068 6.562 -5.041
200 1HD2 LEU 29 1HD2 LEU 29 8.235 3.395 -6.432
201 2HD2 LEU 29 2HD2 LEU 29 9.035 2.358 -5.250
202 3HD2 LEU 29 3HD2 LEU 29 9.990 3.228 -6.448
203 H ALA 30 H ALA 30 11.906 4.570 -2.024
204 HA ALA 30 HA ALA 30 14.433 5.743 -2.417
205 1HB ALA 30 1HB ALA 30 14.277 6.460 -0.181
206 2HB ALA 30 2HB ALA 30 13.195 5.133 0.244
207 3HB ALA 30 3HB ALA 30 12.630 6.429 -0.809
208 H ASN 31 H ASN 31 13.703 2.480 -1.728
209 HA ASN 31 HA ASN 31 16.147 2.021 -0.233
210 1HB ASN 31 2HB ASN 31 14.150 0.693 0.297
211 2HB ASN 31 1HB ASN 31 14.162 0.016 -1.331
212 1HD2 ASN 31 1HD2 ASN 31 14.166 -1.778 0.543
213 2HD2 ASN 31 2HD2 ASN 31 15.724 -2.482 0.794
214 H GLY 32 H GLY 32 14.913 1.428 -3.487
215 1HA GLY 32 2HA GLY 32 16.213 1.354 -5.436
216 2HA GLY 32 1HA GLY 32 17.656 1.202 -4.445
217 H GLY 33 H GLY 33 17.867 -0.930 -3.258
218 1HA GLY 33 2HA GLY 33 17.151 -3.279 -3.214
219 2HA GLY 33 1HA GLY 33 16.781 -3.118 -4.924
220 H ASN 34 H ASN 34 19.671 -1.724 -3.550
221 HA ASN 34 HA ASN 34 21.267 -3.478 -5.239
222 1HB ASN 34 2HB ASN 34 21.722 -0.853 -3.893
223 2HB ASN 34 1HB ASN 34 23.123 -1.858 -4.254
224 1HD2 ASN 34 1HD2 ASN 34 23.933 -0.448 -5.778
225 2HD2 ASN 34 2HD2 ASN 34 23.192 -0.217 -7.322
226 H GLY 35 H GLY 35 21.145 -5.417 -4.063
227 1HA GLY 35 2HA GLY 35 22.712 -6.741 -2.751
228 2HA GLY 35 1HA GLY 35 22.796 -5.406 -1.613
229 H PHE 36 H PHE 36 22.379 -7.476 -0.265
230 HA PHE 36 HA PHE 36 20.998 -8.755 1.023
231 1HB PHE 36 2HB PHE 36 19.521 -6.139 0.821
232 2HB PHE 36 1HB PHE 36 18.927 -7.460 1.819
233 HD1 PHE 36 1HD PHE 36 21.001 -4.609 1.714
234 HD2 PHE 36 2HD PHE 36 20.611 -8.435 3.538
235 HE1 PHE 36 1HE PHE 36 22.480 -3.884 3.541
236 HE2 PHE 36 2HE PHE 36 22.089 -7.716 5.369
237 HZ PHE 36 HZ PHE 36 23.026 -5.439 5.372
238 H TRP 37 H TRP 37 20.779 -9.809 -1.337
239 HA TRP 37 HA TRP 37 18.138 -9.718 -2.452
240 1HB TRP 37 2HB TRP 37 20.673 -11.124 -3.030
241 2HB TRP 37 1HB TRP 37 19.208 -11.978 -3.504
242 HD1 TRP 37 HD TRP 37 17.523 -10.546 -5.204
243 HE1 TRP 37 1HE TRP 37 18.156 -8.928 -7.102
244 HE3 TRP 37 3HE TRP 37 22.329 -9.491 -3.809
245 HZ2 TRP 37 2HZ TRP 37 20.394 -7.408 -7.905
246 HZ3 TRP 37 3HZ TRP 37 23.647 -7.947 -5.198
247 HH2 TRP 37 HH TRP 37 22.699 -6.927 -7.204
Start of MODEL 16
1 HA LYS 1 HA LYS 1 -6.919 -5.954 7.283
2 1HB LYS 1 2HB LYS 1 -7.587 -6.752 4.973
3 2HB LYS 1 1HB LYS 1 -8.779 -7.028 6.239
4 1HG LYS 1 2HG LYS 1 -9.709 -4.716 5.406
5 2HG LYS 1 1HG LYS 1 -8.843 -5.155 3.932
6 1HD LYS 1 2HD LYS 1 -10.737 -7.063 5.270
7 2HD LYS 1 1HD LYS 1 -11.308 -5.843 4.132
8 1HE LYS 1 2HE LYS 1 -10.675 -7.078 2.400
9 2HE LYS 1 1HE LYS 1 -9.041 -7.234 3.043
10 1HZ LYS 1 1HZ LYS 1 -9.646 -9.395 3.108
11 2HZ LYS 1 2HZ LYS 1 -11.299 -9.064 3.239
12 3HZ LYS 1 3HZ LYS 1 -10.304 -8.949 4.602
13 H TYR 2 H TYR 2 -4.987 -5.002 6.939
14 HA TYR 2 HA TYR 2 -4.726 -2.798 5.112
15 1HB TYR 2 2HB TYR 2 -3.256 -3.679 7.289
16 2HB TYR 2 1HB TYR 2 -2.210 -4.011 5.909
17 HD1 TYR 2 1HD TYR 2 -0.994 -2.253 4.912
18 HD2 TYR 2 2HD TYR 2 -4.262 -1.400 7.454
19 HE1 TYR 2 1HE TYR 2 -0.440 0.124 4.797
20 HE2 TYR 2 2HE TYR 2 -3.700 0.992 7.386
21 HH TYR 2 HH TYR 2 -2.502 2.571 6.164
22 H TYR 3 H TYR 3 -3.867 -2.836 3.090
23 HA TYR 3 HA TYR 3 -3.437 -5.508 1.928
24 1HB TYR 3 2HB TYR 3 -4.423 -2.897 0.869
25 2HB TYR 3 1HB TYR 3 -3.599 -3.984 -0.252
26 HD1 TYR 3 1HD TYR 3 -4.463 -6.451 -0.239
27 HD2 TYR 3 2HD TYR 3 -6.713 -3.147 1.186
28 HE1 TYR 3 1HE TYR 3 -6.534 -7.744 -0.525
29 HE2 TYR 3 2HE TYR 3 -8.793 -4.421 0.897
30 HH TYR 3 HH TYR 3 -9.093 -7.044 -0.928
31 H GLY 4 H GLY 4 -1.413 -4.225 3.515
32 1HA GLY 4 2HA GLY 4 0.787 -3.534 3.467
33 2HA GLY 4 1HA GLY 4 0.909 -4.764 2.214
34 H ASN 5 H ASN 5 -1.083 -1.969 1.709
35 HA ASN 5 HA ASN 5 0.991 -0.551 0.234
36 1HB ASN 5 2HB ASN 5 -0.595 -2.316 -1.138
37 2HB ASN 5 1HB ASN 5 -1.520 -0.824 -1.291
38 1HD2 ASN 5 1HD2 ASN 5 -0.881 0.661 -2.711
39 2HD2 ASN 5 2HD2 ASN 5 0.573 0.585 -3.641
40 H GLY 6 H GLY 6 -0.545 -0.055 2.656
41 1HA GLY 6 2HA GLY 6 -1.699 1.665 3.651
42 2HA GLY 6 1HA GLY 6 -1.251 2.624 2.250
43 H VAL 7 H VAL 7 -3.312 -0.255 2.530
44 HA VAL 7 HA VAL 7 -5.663 1.342 1.843
45 HB VAL 7 HB VAL 7 -4.636 -0.904 0.113
46 1HG1 VAL 7 1HG1 VAL 7 -7.392 0.214 0.447
47 2HG1 VAL 7 2HG1 VAL 7 -6.888 -1.476 0.420
48 3HG1 VAL 7 3HG1 VAL 7 -6.881 -0.532 -1.070
49 1HG2 VAL 7 1HG2 VAL 7 -4.255 0.673 -1.428
50 2HG2 VAL 7 2HG2 VAL 7 -4.434 1.836 -0.117
51 3HG2 VAL 7 3HG2 VAL 7 -5.818 1.437 -1.132
52 H HIS 8 H HIS 8 -6.901 0.842 3.526
53 HA HIS 8 HA HIS 8 -7.173 -1.996 4.212
54 1HB HIS 8 2HB HIS 8 -8.392 -0.431 6.237
55 2HB HIS 8 1HB HIS 8 -6.945 -1.420 6.364
56 HD1 HIS 8 1HD HIS 8 -7.787 1.612 7.496
57 HD2 HIS 8 2HD HIS 8 -4.819 0.462 4.828
58 HE1 HIS 8 1HE HIS 8 -6.100 3.472 7.538
59 HE2 HIS 8 2HE HIS 8 -4.396 2.832 5.794
60 H CYS 9 H CYS 9 -9.205 -2.892 4.383
61 HA CYS 9 HA CYS 9 -11.378 -1.204 3.376
62 1HB CYS 9 2HB CYS 9 -10.355 -3.446 2.180
63 2HB CYS 9 1HB CYS 9 -11.758 -4.078 3.038
64 H THR 10 H THR 10 -11.698 -0.623 5.566
65 HA THR 10 HA THR 10 -12.708 -2.706 7.351
66 HB THR 10 HB THR 10 -12.351 -1.236 9.125
67 HG1 THR 10 1HG THR 10 -12.248 0.931 7.304
68 1HG2 THR 10 1HG2 THR 10 -10.173 -0.374 8.975
69 2HG2 THR 10 2HG2 THR 10 -10.300 -0.141 7.231
70 3HG2 THR 10 3HG2 THR 10 -10.199 -1.771 7.897
71 H LYS 11 H LYS 11 -14.556 -2.210 8.697
72 HA LYS 11 HA LYS 11 -16.838 -2.156 8.747
73 1HB LYS 11 2HB LYS 11 -17.633 0.053 9.002
74 2HB LYS 11 1HB LYS 11 -15.953 0.058 9.522
75 1HG LYS 11 2HG LYS 11 -15.243 1.175 7.597
76 2HG LYS 11 1HG LYS 11 -16.748 0.847 6.745
77 1HD LYS 11 2HD LYS 11 -17.949 2.353 8.198
78 2HD LYS 11 1HD LYS 11 -16.514 2.586 9.200
79 1HE LYS 11 2HE LYS 11 -17.009 3.527 6.391
80 2HE LYS 11 1HE LYS 11 -16.635 4.490 7.820
81 1HZ LYS 11 1HZ LYS 11 -14.687 4.368 6.499
82 2HZ LYS 11 2HZ LYS 11 -14.803 2.689 6.338
83 3HZ LYS 11 3HZ LYS 11 -14.425 3.370 7.839
84 H SER 12 H SER 12 -15.929 -3.019 6.186
85 HA SER 12 HA SER 12 -16.889 -3.630 4.212
86 1HB SER 12 2HB SER 12 -19.098 -2.665 5.723
87 2HB SER 12 1HB SER 12 -19.271 -2.083 4.071
88 HG SER 12 HG SER 12 -18.740 -4.782 4.757
89 H GLY 13 H GLY 13 -15.135 -1.365 4.487
90 1HA GLY 13 2HA GLY 13 -15.643 -0.171 1.895
91 2HA GLY 13 1HA GLY 13 -15.665 0.956 3.243
92 H CYS 14 H CYS 14 -13.831 0.512 0.874
93 HA CYS 14 HA CYS 14 -11.296 -0.055 2.193
94 1HB CYS 14 2HB CYS 14 -12.165 0.256 -0.628
95 2HB CYS 14 1HB CYS 14 -10.482 0.530 -0.213
96 H SER 15 H SER 15 -9.786 1.341 2.660
97 HA SER 15 HA SER 15 -10.088 4.135 1.826
98 1HB SER 15 2HB SER 15 -9.747 4.945 4.120
99 2HB SER 15 1HB SER 15 -11.213 3.971 4.008
100 HG SER 15 HG SER 15 -10.303 2.427 5.178
101 H VAL 16 H VAL 16 -8.121 5.431 2.477
102 HA VAL 16 HA VAL 16 -5.720 3.746 2.593
103 HB VAL 16 HB VAL 16 -6.125 6.038 0.670
104 1HG1 VAL 16 1HG1 VAL 16 -3.738 4.587 1.621
105 2HG1 VAL 16 2HG1 VAL 16 -3.904 6.237 1.038
106 3HG1 VAL 16 3HG1 VAL 16 -3.832 4.901 -0.110
107 1HG2 VAL 16 1HG2 VAL 16 -5.383 3.955 -0.839
108 2HG2 VAL 16 2HG2 VAL 16 -7.067 4.394 -0.533
109 3HG2 VAL 16 3HG2 VAL 16 -6.296 3.119 0.422
110 H ASN 17 H ASN 17 -4.304 4.403 4.068
111 HA ASN 17 HA ASN 17 -4.719 6.825 5.541
112 1HB ASN 17 2HB ASN 17 -3.149 4.429 5.836
113 2HB ASN 17 1HB ASN 17 -2.120 5.840 6.076
114 1HD2 ASN 17 1HD2 ASN 17 -1.915 5.240 8.264
115 2HD2 ASN 17 2HD2 ASN 17 -3.174 5.567 9.401
116 H TRP 18 H TRP 18 -2.963 5.868 2.771
117 HA TRP 18 HA TRP 18 -1.730 6.978 1.247
118 1HB TRP 18 2HB TRP 18 -2.756 9.352 2.810
119 2HB TRP 18 1HB TRP 18 -1.759 9.512 1.359
120 HD1 TRP 18 HD TRP 18 -5.301 9.113 2.388
121 HE1 TRP 18 1HE TRP 18 -6.769 8.570 0.348
122 HE3 TRP 18 3HE TRP 18 -1.629 8.070 -0.954
123 HZ2 TRP 18 2HZ TRP 18 -6.405 7.797 -2.342
124 HZ3 TRP 18 3HZ TRP 18 -2.255 7.433 -3.257
125 HH2 TRP 18 HH TRP 18 -4.601 7.289 -3.922
126 H GLY 19 H GLY 19 -1.059 8.781 4.271
127 1HA GLY 19 2HA GLY 19 1.655 9.072 3.734
128 2HA GLY 19 1HA GLY 19 0.966 9.025 5.362
129 H GLU 20 H GLU 20 -0.163 6.329 4.866
130 HA GLU 20 HA GLU 20 2.102 4.762 5.698
131 1HB GLU 20 2HB GLU 20 -0.819 4.395 5.495
132 2HB GLU 20 1HB GLU 20 0.120 2.938 5.180
133 1HG GLU 20 2HG GLU 20 0.784 4.552 7.584
134 2HG GLU 20 1HG GLU 20 -0.683 3.574 7.601
135 H ALA 21 H ALA 21 0.063 5.063 2.846
136 HA ALA 21 HA ALA 21 1.271 2.954 1.355
137 1HB ALA 21 1HB ALA 21 -0.017 3.754 -0.455
138 2HB ALA 21 2HB ALA 21 -0.107 5.375 0.238
139 3HB ALA 21 3HB ALA 21 -0.996 4.047 0.983
140 H PHE 22 H PHE 22 1.679 6.423 1.629
141 HA PHE 22 HA PHE 22 3.582 6.817 -0.401
142 1HB PHE 22 2HB PHE 22 2.297 8.604 0.828
143 2HB PHE 22 1HB PHE 22 3.329 8.320 2.225
144 HD1 PHE 22 1HD PHE 22 2.919 10.119 -0.808
145 HD2 PHE 22 2HD PHE 22 5.854 8.630 1.888
146 HE1 PHE 22 1HE PHE 22 4.552 11.726 -1.706
147 HE2 PHE 22 2HE PHE 22 7.492 10.234 0.996
148 HZ PHE 22 HZ PHE 22 6.842 11.784 -0.803
149 H SER 23 H SER 23 3.766 5.917 2.983
150 HA SER 23 HA SER 23 6.624 5.880 3.134
151 1HB SER 23 2HB SER 23 6.348 4.809 5.275
152 2HB SER 23 1HB SER 23 5.097 6.042 5.136
153 HG SER 23 HG SER 23 4.869 3.318 5.327
154 H ALA 24 H ALA 24 4.168 3.676 2.068
155 HA ALA 24 HA ALA 24 5.802 1.323 2.106
156 1HB ALA 24 1HB ALA 24 3.966 0.211 1.261
157 2HB ALA 24 2HB ALA 24 3.426 1.601 0.320
158 3HB ALA 24 3HB ALA 24 3.193 1.576 2.067
159 H GLY 25 H GLY 25 4.610 3.485 -0.456
160 1HA GLY 25 2HA GLY 25 6.007 2.270 -2.571
161 2HA GLY 25 1HA GLY 25 5.403 3.920 -2.561
162 H VAL 26 H VAL 26 6.909 4.967 -0.439
163 HA VAL 26 HA VAL 26 9.304 5.644 -1.776
164 HB VAL 26 HB VAL 26 8.665 5.978 1.171
165 1HG1 VAL 26 1HG1 VAL 26 10.294 7.867 0.999
166 2HG1 VAL 26 2HG1 VAL 26 10.735 7.266 -0.600
167 3HG1 VAL 26 3HG1 VAL 26 11.009 6.265 0.826
168 1HG2 VAL 26 1HG2 VAL 26 8.474 8.266 -0.674
169 2HG2 VAL 26 2HG2 VAL 26 7.479 7.832 0.716
170 3HG2 VAL 26 3HG2 VAL 26 7.221 7.035 -0.836
171 H HIS 27 H HIS 27 8.640 3.273 0.783
172 HA HIS 27 HA HIS 27 11.339 2.736 1.393
173 1HB HIS 27 2HB HIS 27 8.909 0.933 1.551
174 2HB HIS 27 1HB HIS 27 10.487 0.526 2.215
175 HD1 HIS 27 1HD HIS 27 9.940 4.020 2.685
176 HD2 HIS 27 2HD HIS 27 8.753 0.562 4.653
177 HE1 HIS 27 1HE HIS 27 9.198 4.765 4.950
178 HE2 HIS 27 2HE HIS 27 8.394 2.675 6.103
179 H ARG 28 H ARG 28 9.161 1.583 -1.098
180 HA ARG 28 HA ARG 28 10.892 -0.416 -2.143
181 1HB ARG 28 2HB ARG 28 8.379 0.918 -3.002
182 2HB ARG 28 1HB ARG 28 9.339 0.138 -4.252
183 1HG ARG 28 2HG ARG 28 8.691 -1.356 -1.755
184 2HG ARG 28 1HG ARG 28 7.465 -1.177 -3.013
185 1HD ARG 28 2HD ARG 28 9.990 -1.935 -4.166
186 2HD ARG 28 1HD ARG 28 9.533 -3.064 -2.892
187 HE ARG 28 HE ARG 28 8.243 -2.700 -5.443
188 1HH1 ARG 28 1HH1 ARG 28 7.876 -3.872 -2.174
189 2HH1 ARG 28 2HH1 ARG 28 6.588 -4.956 -2.577
190 1HH2 ARG 28 1HH2 ARG 28 6.548 -4.123 -5.971
191 2HH2 ARG 28 2HH2 ARG 28 5.833 -5.099 -4.731
192 H LEU 29 H LEU 29 10.162 2.927 -3.165
193 HA LEU 29 HA LEU 29 12.041 2.918 -5.293
194 1HB LEU 29 2HB LEU 29 11.174 5.455 -4.012
195 2HB LEU 29 1HB LEU 29 11.432 5.097 -5.708
196 HG LEU 29 HG LEU 29 9.073 4.312 -4.021
197 1HD1 LEU 29 1HD1 LEU 29 7.966 5.564 -6.011
198 2HD1 LEU 29 2HD1 LEU 29 9.569 6.274 -6.200
199 3HD1 LEU 29 3HD1 LEU 29 8.693 6.472 -4.684
200 1HD2 LEU 29 1HD2 LEU 29 9.412 2.430 -5.375
201 2HD2 LEU 29 2HD2 LEU 29 9.901 3.410 -6.758
202 3HD2 LEU 29 3HD2 LEU 29 8.216 3.397 -6.238
203 H ALA 30 H ALA 30 12.033 4.389 -2.119
204 HA ALA 30 HA ALA 30 14.620 5.503 -2.272
205 1HB ALA 30 1HB ALA 30 12.631 6.116 -0.768
206 2HB ALA 30 2HB ALA 30 14.263 6.249 -0.110
207 3HB ALA 30 3HB ALA 30 13.253 4.864 0.306
208 H ASN 31 H ASN 31 13.792 2.246 -1.932
209 HA ASN 31 HA ASN 31 15.919 1.585 -0.091
210 1HB ASN 31 2HB ASN 31 13.973 0.146 -0.091
211 2HB ASN 31 1HB ASN 31 14.172 -0.194 -1.810
212 1HD2 ASN 31 1HD2 ASN 31 14.519 -2.340 -1.746
213 2HD2 ASN 31 2HD2 ASN 31 15.833 -3.097 -0.919
214 H GLY 32 H GLY 32 15.563 1.989 -3.501
215 1HA GLY 32 2HA GLY 32 17.756 0.390 -4.336
216 2HA GLY 32 1HA GLY 32 17.022 1.697 -5.253
217 H GLY 33 H GLY 33 17.551 3.951 -4.285
218 1HA GLY 33 2HA GLY 33 19.734 4.556 -2.759
219 2HA GLY 33 1HA GLY 33 20.415 4.192 -4.338
220 H ASN 34 H ASN 34 19.777 5.494 -6.146
221 HA ASN 34 HA ASN 34 18.317 7.942 -5.619
222 1HB ASN 34 2HB ASN 34 20.175 9.389 -6.413
223 2HB ASN 34 1HB ASN 34 20.535 8.587 -4.887
224 1HD2 ASN 34 1HD2 ASN 34 22.232 7.225 -4.758
225 2HD2 ASN 34 2HD2 ASN 34 23.302 6.880 -6.069
226 H GLY 35 H GLY 35 20.285 6.074 -7.903
227 1HA GLY 35 2HA GLY 35 18.259 6.357 -9.932
228 2HA GLY 35 1HA GLY 35 19.729 7.252 -10.292
229 H PHE 36 H PHE 36 18.575 4.015 -9.405
230 HA PHE 36 HA PHE 36 20.155 2.801 -11.477
231 1HB PHE 36 2HB PHE 36 20.849 2.260 -8.576
232 2HB PHE 36 1HB PHE 36 21.414 1.292 -9.933
233 HD1 PHE 36 1HD PHE 36 22.009 4.154 -7.897
234 HD2 PHE 36 2HD PHE 36 22.825 2.450 -11.709
235 HE1 PHE 36 1HE PHE 36 23.930 5.667 -8.157
236 HE2 PHE 36 2HE PHE 36 24.749 3.961 -11.976
237 HZ PHE 36 HZ PHE 36 25.304 5.572 -10.198
238 H TRP 37 H TRP 37 17.771 2.448 -11.822
239 HA TRP 37 HA TRP 37 17.115 -0.236 -11.091
240 1HB TRP 37 2HB TRP 37 16.394 1.018 -9.053
241 2HB TRP 37 1HB TRP 37 15.283 1.943 -10.058
242 HD1 TRP 37 HD TRP 37 15.808 -1.879 -10.260
243 HE1 TRP 37 1HE TRP 37 13.563 -3.022 -9.733
244 HE3 TRP 37 3HE TRP 37 13.062 2.254 -9.024
245 HZ2 TRP 37 2HZ TRP 37 10.972 -2.272 -8.901
246 HZ3 TRP 37 3HZ TRP 37 10.708 1.954 -8.375
247 HH2 TRP 37 HH TRP 37 9.686 -0.262 -8.316
Start of MODEL 17
1 HA LYS 1 HA LYS 1 -6.834 -6.476 6.598
2 1HB LYS 1 2HB LYS 1 -7.616 -7.032 4.265
3 2HB LYS 1 1HB LYS 1 -8.806 -7.310 5.527
4 1HG LYS 1 2HG LYS 1 -9.959 -5.272 4.940
5 2HG LYS 1 1HG LYS 1 -8.715 -4.879 3.753
6 1HD LYS 1 2HD LYS 1 -10.546 -5.789 2.546
7 2HD LYS 1 1HD LYS 1 -9.288 -7.023 2.580
8 1HE LYS 1 2HE LYS 1 -11.033 -8.342 3.171
9 2HE LYS 1 1HE LYS 1 -10.639 -7.736 4.777
10 1HZ LYS 1 1HZ LYS 1 -12.309 -5.864 4.086
11 2HZ LYS 1 2HZ LYS 1 -12.873 -7.336 4.697
12 3HZ LYS 1 3HZ LYS 1 -12.893 -7.049 3.031
13 H TYR 2 H TYR 2 -4.883 -5.442 6.427
14 HA TYR 2 HA TYR 2 -4.557 -3.163 4.693
15 1HB TYR 2 2HB TYR 2 -3.160 -4.148 6.888
16 2HB TYR 2 1HB TYR 2 -2.061 -4.374 5.531
17 HD1 TYR 2 1HD TYR 2 -0.903 -2.511 4.611
18 HD2 TYR 2 2HD TYR 2 -4.153 -1.912 7.244
19 HE1 TYR 2 1HE TYR 2 -0.371 -0.131 4.697
20 HE2 TYR 2 2HE TYR 2 -3.609 0.485 7.380
21 HH TYR 2 HH TYR 2 -2.453 2.174 6.182
22 H TYR 3 H TYR 3 -3.590 -3.129 2.711
23 HA TYR 3 HA TYR 3 -3.054 -5.770 1.493
24 1HB TYR 3 2HB TYR 3 -4.080 -3.165 0.407
25 2HB TYR 3 1HB TYR 3 -3.302 -4.312 -0.676
26 HD1 TYR 3 1HD TYR 3 -4.194 -6.810 -0.338
27 HD2 TYR 3 2HD TYR 3 -6.366 -3.288 0.563
28 HE1 TYR 3 1HE TYR 3 -6.298 -8.071 -0.530
29 HE2 TYR 3 2HE TYR 3 -8.476 -4.523 0.364
30 HH TYR 3 HH TYR 3 -9.161 -6.789 -0.995
31 H GLY 4 H GLY 4 -1.127 -4.463 3.135
32 1HA GLY 4 2HA GLY 4 1.029 -3.642 3.146
33 2HA GLY 4 1HA GLY 4 1.235 -4.796 1.836
34 H ASN 5 H ASN 5 -0.923 -2.111 1.481
35 HA ASN 5 HA ASN 5 1.041 -0.485 0.070
36 1HB ASN 5 2HB ASN 5 -0.716 -2.245 -1.298
37 2HB ASN 5 1HB ASN 5 -1.342 -0.618 -1.546
38 1HD2 ASN 5 1HD2 ASN 5 -0.248 0.781 -2.824
39 2HD2 ASN 5 2HD2 ASN 5 1.176 0.368 -3.710
40 H GLY 6 H GLY 6 -0.365 -0.136 2.534
41 1HA GLY 6 2HA GLY 6 -1.653 1.409 3.644
42 2HA GLY 6 1HA GLY 6 -1.285 2.478 2.301
43 H VAL 7 H VAL 7 -3.183 -0.524 2.452
44 HA VAL 7 HA VAL 7 -5.600 0.999 1.812
45 HB VAL 7 HB VAL 7 -4.560 -1.262 0.108
46 1HG1 VAL 7 1HG1 VAL 7 -6.719 -1.081 -1.077
47 2HG1 VAL 7 2HG1 VAL 7 -7.274 0.023 0.187
48 3HG1 VAL 7 3HG1 VAL 7 -6.900 -1.652 0.581
49 1HG2 VAL 7 1HG2 VAL 7 -4.091 0.303 -1.412
50 2HG2 VAL 7 2HG2 VAL 7 -4.334 1.490 -0.130
51 3HG2 VAL 7 3HG2 VAL 7 -5.668 1.066 -1.197
52 H HIS 8 H HIS 8 -6.813 0.502 3.474
53 HA HIS 8 HA HIS 8 -7.106 -2.335 4.152
54 1HB HIS 8 2HB HIS 8 -8.091 -0.867 6.328
55 2HB HIS 8 1HB HIS 8 -6.603 -1.801 6.275
56 HD1 HIS 8 1HD HIS 8 -7.502 1.223 7.521
57 HD2 HIS 8 2HD HIS 8 -4.638 0.159 4.706
58 HE1 HIS 8 1HE HIS 8 -5.865 3.133 7.474
59 HE2 HIS 8 2HE HIS 8 -4.249 2.544 5.636
60 H CYS 9 H CYS 9 -9.184 -3.108 4.547
61 HA CYS 9 HA CYS 9 -11.285 -1.282 3.655
62 1HB CYS 9 2HB CYS 9 -11.395 -4.264 3.335
63 2HB CYS 9 1HB CYS 9 -12.423 -3.053 2.582
64 H THR 10 H THR 10 -11.731 -0.594 5.704
65 HA THR 10 HA THR 10 -12.654 -2.596 7.630
66 HB THR 10 HB THR 10 -12.471 -0.927 9.309
67 HG1 THR 10 1HG THR 10 -12.094 0.955 7.224
68 1HG2 THR 10 1HG2 THR 10 -10.238 -0.473 9.371
69 2HG2 THR 10 2HG2 THR 10 -10.157 -0.077 7.654
70 3HG2 THR 10 3HG2 THR 10 -10.274 -1.761 8.167
71 H LYS 11 H LYS 11 -14.625 -2.931 8.098
72 HA LYS 11 HA LYS 11 -16.896 -3.009 7.602
73 1HB LYS 11 2HB LYS 11 -16.734 -0.410 9.074
74 2HB LYS 11 1HB LYS 11 -17.935 -1.687 9.237
75 1HG LYS 11 2HG LYS 11 -15.936 -3.127 10.018
76 2HG LYS 11 1HG LYS 11 -15.133 -1.575 10.262
77 1HD LYS 11 2HD LYS 11 -17.471 -1.075 11.485
78 2HD LYS 11 1HD LYS 11 -17.363 -2.818 11.748
79 1HE LYS 11 2HE LYS 11 -14.901 -2.227 12.451
80 2HE LYS 11 1HE LYS 11 -15.593 -0.630 12.731
81 1HZ LYS 11 1HZ LYS 11 -17.382 -2.116 13.975
82 2HZ LYS 11 2HZ LYS 11 -15.991 -1.537 14.745
83 3HZ LYS 11 3HZ LYS 11 -16.036 -3.125 14.167
84 H SER 12 H SER 12 -15.916 0.408 7.136
85 HA SER 12 HA SER 12 -18.205 0.899 5.468
86 1HB SER 12 2HB SER 12 -17.399 3.169 5.338
87 2HB SER 12 1HB SER 12 -17.196 2.610 6.998
88 HG SER 12 HG SER 12 -15.361 3.704 5.666
89 H GLY 13 H GLY 13 -15.488 -0.767 4.784
90 1HA GLY 13 2HA GLY 13 -15.332 -1.511 2.450
91 2HA GLY 13 1HA GLY 13 -15.512 0.172 1.984
92 H CYS 14 H CYS 14 -13.578 -0.163 0.737
93 HA CYS 14 HA CYS 14 -11.099 -0.449 2.235
94 1HB CYS 14 2HB CYS 14 -11.501 -0.152 -0.729
95 2HB CYS 14 1HB CYS 14 -10.003 -0.566 0.098
96 H SER 15 H SER 15 -9.728 1.052 2.666
97 HA SER 15 HA SER 15 -10.048 3.705 1.464
98 1HB SER 15 2HB SER 15 -10.238 3.028 4.380
99 2HB SER 15 1HB SER 15 -9.561 4.581 3.893
100 HG SER 15 HG SER 15 -11.529 4.901 2.683
101 H VAL 16 H VAL 16 -8.124 5.146 2.221
102 HA VAL 16 HA VAL 16 -5.715 3.477 2.474
103 HB VAL 16 HB VAL 16 -6.072 5.745 0.512
104 1HG1 VAL 16 1HG1 VAL 16 -3.872 5.996 0.954
105 2HG1 VAL 16 2HG1 VAL 16 -3.729 4.644 -0.166
106 3HG1 VAL 16 3HG1 VAL 16 -3.692 4.360 1.573
107 1HG2 VAL 16 1HG2 VAL 16 -5.248 3.691 -0.967
108 2HG2 VAL 16 2HG2 VAL 16 -6.955 4.044 -0.677
109 3HG2 VAL 16 3HG2 VAL 16 -6.126 2.812 0.287
110 H ASN 17 H ASN 17 -4.320 4.162 3.966
111 HA ASN 17 HA ASN 17 -4.829 6.560 5.449
112 1HB ASN 17 2HB ASN 17 -2.989 4.276 5.637
113 2HB ASN 17 1HB ASN 17 -2.288 5.802 6.172
114 1HD2 ASN 17 1HD2 ASN 17 -2.242 4.649 8.238
115 2HD2 ASN 17 2HD2 ASN 17 -3.646 4.704 9.245
116 H TRP 18 H TRP 18 -2.993 5.685 2.703
117 HA TRP 18 HA TRP 18 -1.755 6.842 1.218
118 1HB TRP 18 2HB TRP 18 -2.921 9.162 2.754
119 2HB TRP 18 1HB TRP 18 -1.870 9.375 1.347
120 HD1 TRP 18 HD TRP 18 -5.432 8.883 2.204
121 HE1 TRP 18 1HE TRP 18 -6.792 8.285 0.105
122 HE3 TRP 18 3HE TRP 18 -1.584 7.876 -0.940
123 HZ2 TRP 18 2HZ TRP 18 -6.279 7.483 -2.556
124 HZ3 TRP 18 3HZ TRP 18 -2.083 7.193 -3.258
125 HH2 TRP 18 HH TRP 18 -4.389 6.988 -4.036
126 H GLY 19 H GLY 19 -1.261 8.454 4.375
127 1HA GLY 19 2HA GLY 19 1.469 8.910 3.892
128 2HA GLY 19 1HA GLY 19 0.719 8.835 5.492
129 H GLU 20 H GLU 20 -0.309 6.090 4.871
130 HA GLU 20 HA GLU 20 1.969 4.596 5.808
131 1HB GLU 20 2HB GLU 20 -0.915 4.147 5.503
132 2HB GLU 20 1HB GLU 20 0.049 2.726 5.103
133 1HG GLU 20 2HG GLU 20 0.659 4.188 7.620
134 2HG GLU 20 1HG GLU 20 -0.790 3.186 7.554
135 H ALA 21 H ALA 21 0.049 4.842 2.877
136 HA ALA 21 HA ALA 21 1.392 2.820 1.397
137 1HB ALA 21 1HB ALA 21 -0.796 3.499 0.731
138 2HB ALA 21 2HB ALA 21 0.319 3.990 -0.547
139 3HB ALA 21 3HB ALA 21 -0.287 5.182 0.604
140 H PHE 22 H PHE 22 1.737 6.282 1.804
141 HA PHE 22 HA PHE 22 3.662 6.784 -0.187
142 1HB PHE 22 2HB PHE 22 2.403 8.543 1.042
143 2HB PHE 22 1HB PHE 22 3.287 8.140 2.511
144 HD1 PHE 22 1HD PHE 22 5.831 8.429 2.460
145 HD2 PHE 22 2HD PHE 22 3.228 10.108 -0.457
146 HE1 PHE 22 1HE PHE 22 7.585 10.034 1.822
147 HE2 PHE 22 2HE PHE 22 4.979 11.712 -1.103
148 HZ PHE 22 HZ PHE 22 7.160 11.677 0.038
149 H SER 23 H SER 23 3.797 5.673 3.125
150 HA SER 23 HA SER 23 6.654 5.641 3.343
151 1HB SER 23 2HB SER 23 4.380 4.531 4.946
152 2HB SER 23 1HB SER 23 5.995 3.881 5.221
153 HG SER 23 HG SER 23 4.947 6.229 6.027
154 H ALA 24 H ALA 24 4.242 3.526 2.048
155 HA ALA 24 HA ALA 24 5.861 1.166 1.939
156 1HB ALA 24 1HB ALA 24 3.841 0.294 1.579
157 2HB ALA 24 2HB ALA 24 3.834 1.046 -0.018
158 3HB ALA 24 3HB ALA 24 3.157 1.905 1.363
159 H GLY 25 H GLY 25 4.709 3.512 -0.447
160 1HA GLY 25 2HA GLY 25 6.152 2.499 -2.639
161 2HA GLY 25 1HA GLY 25 5.494 4.120 -2.513
162 H VAL 26 H VAL 26 7.025 4.958 -0.225
163 HA VAL 26 HA VAL 26 9.381 5.832 -1.547
164 HB VAL 26 HB VAL 26 8.737 5.873 1.417
165 1HG1 VAL 26 1HG1 VAL 26 11.126 6.071 1.033
166 2HG1 VAL 26 2HG1 VAL 26 10.463 7.626 1.538
167 3HG1 VAL 26 3HG1 VAL 26 10.848 7.339 -0.161
168 1HG2 VAL 26 1HG2 VAL 26 7.253 7.130 -0.289
169 2HG2 VAL 26 2HG2 VAL 26 8.628 8.227 -0.425
170 3HG2 VAL 26 3HG2 VAL 26 7.843 7.984 1.136
171 H HIS 27 H HIS 27 8.770 3.336 0.900
172 HA HIS 27 HA HIS 27 11.449 2.648 1.376
173 1HB HIS 27 2HB HIS 27 8.933 0.963 1.512
174 2HB HIS 27 1HB HIS 27 10.505 0.425 2.090
175 HD1 HIS 27 1HD HIS 27 9.974 3.945 2.773
176 HD2 HIS 27 2HD HIS 27 9.052 0.344 4.624
177 HE1 HIS 27 1HE HIS 27 9.384 4.534 5.131
178 HE2 HIS 27 2HE HIS 27 8.731 2.358 6.215
179 H ARG 28 H ARG 28 9.100 1.494 -0.996
180 HA ARG 28 HA ARG 28 10.900 -0.374 -2.205
181 1HB ARG 28 2HB ARG 28 8.583 -0.865 -2.360
182 2HB ARG 28 1HB ARG 28 8.201 0.737 -2.967
183 1HG ARG 28 2HG ARG 28 7.994 -0.685 -4.801
184 2HG ARG 28 1HG ARG 28 9.553 0.110 -5.022
185 1HD ARG 28 2HD ARG 28 9.747 -2.348 -3.473
186 2HD ARG 28 1HD ARG 28 9.085 -2.609 -5.087
187 HE ARG 28 HE ARG 28 11.427 -0.962 -5.079
188 1HH1 ARG 28 1HH1 ARG 28 10.280 -4.257 -5.053
189 2HH1 ARG 28 2HH1 ARG 28 11.708 -4.893 -5.796
190 1HH2 ARG 28 1HH2 ARG 28 13.304 -1.795 -6.061
191 2HH2 ARG 28 2HH2 ARG 28 13.427 -3.495 -6.369
192 H LEU 29 H LEU 29 9.817 2.916 -2.970
193 HA LEU 29 HA LEU 29 11.216 3.087 -5.445
194 1HB LEU 29 2HB LEU 29 9.317 4.497 -5.129
195 2HB LEU 29 1HB LEU 29 9.976 5.157 -3.646
196 HG LEU 29 HG LEU 29 11.621 6.421 -4.838
197 1HD1 LEU 29 1HD1 LEU 29 11.511 6.337 -7.416
198 2HD1 LEU 29 2HD1 LEU 29 10.778 4.752 -7.176
199 3HD1 LEU 29 3HD1 LEU 29 12.399 5.076 -6.561
200 1HD2 LEU 29 1HD2 LEU 29 10.014 7.585 -6.572
201 2HD2 LEU 29 2HD2 LEU 29 9.752 7.730 -4.834
202 3HD2 LEU 29 3HD2 LEU 29 8.806 6.577 -5.776
203 H ALA 30 H ALA 30 11.714 4.736 -2.364
204 HA ALA 30 HA ALA 30 14.353 5.596 -3.002
205 1HB ALA 30 1HB ALA 30 12.421 6.248 -1.135
206 2HB ALA 30 2HB ALA 30 14.059 6.905 -1.215
207 3HB ALA 30 3HB ALA 30 13.711 5.526 -0.169
208 H ASN 31 H ASN 31 13.057 3.239 -0.684
209 HA ASN 31 HA ASN 31 14.044 1.539 0.467
210 1HB ASN 31 2HB ASN 31 14.790 -0.200 -0.941
211 2HB ASN 31 1HB ASN 31 13.706 0.746 -1.945
212 1HD2 ASN 31 1HD2 ASN 31 14.471 1.805 -3.705
213 2HD2 ASN 31 2HD2 ASN 31 16.090 1.648 -4.286
214 H GLY 32 H GLY 32 15.481 4.033 0.646
215 1HA GLY 32 2HA GLY 32 17.873 3.069 1.839
216 2HA GLY 32 1HA GLY 32 18.228 3.851 0.306
217 H GLY 33 H GLY 33 17.699 6.096 0.055
218 1HA GLY 33 2HA GLY 33 16.557 7.916 1.606
219 2HA GLY 33 1HA GLY 33 17.972 7.541 2.578
220 H ASN 34 H ASN 34 16.751 9.253 -0.129
221 HA ASN 34 HA ASN 34 17.696 10.605 -1.705
222 1HB ASN 34 2HB ASN 34 19.329 12.240 -0.786
223 2HB ASN 34 1HB ASN 34 17.903 12.043 0.228
224 1HD2 ASN 34 1HD2 ASN 34 18.106 11.218 2.253
225 2HD2 ASN 34 2HD2 ASN 34 19.629 10.899 3.006
226 H GLY 35 H GLY 35 18.449 8.741 -2.923
227 1HA GLY 35 2HA GLY 35 21.101 7.758 -2.642
228 2HA GLY 35 1HA GLY 35 20.050 7.509 -4.026
229 H PHE 36 H PHE 36 20.822 8.280 -5.860
230 HA PHE 36 HA PHE 36 21.903 10.922 -6.069
231 1HB PHE 36 2HB PHE 36 23.720 8.624 -5.811
232 2HB PHE 36 1HB PHE 36 24.035 9.624 -7.223
233 HD1 PHE 36 1HD PHE 36 24.818 9.159 -3.875
234 HD2 PHE 36 2HD PHE 36 23.980 12.241 -6.688
235 HE1 PHE 36 1HE PHE 36 26.010 10.775 -2.453
236 HE2 PHE 36 2HE PHE 36 25.171 13.862 -5.272
237 HZ PHE 36 HZ PHE 36 26.187 13.131 -3.151
238 H TRP 37 H TRP 37 22.706 8.035 -7.975
239 HA TRP 37 HA TRP 37 22.241 7.440 -10.119
240 1HB TRP 37 2HB TRP 37 19.756 8.586 -9.107
241 2HB TRP 37 1HB TRP 37 19.910 8.767 -10.850
242 HD1 TRP 37 HD TRP 37 20.702 6.266 -12.083
243 HE1 TRP 37 1HE TRP 37 19.612 3.972 -11.665
244 HE3 TRP 37 3HE TRP 37 18.503 7.222 -7.568
245 HZ2 TRP 37 2HZ TRP 37 18.029 2.733 -9.684
246 HZ3 TRP 37 3HZ TRP 37 17.218 5.428 -6.479
247 HH2 TRP 37 HH TRP 37 16.987 3.231 -7.517
Start of MODEL 18
1 HA LYS 1 HA LYS 1 -7.306 -5.939 7.523
2 1HB LYS 1 2HB LYS 1 -7.532 -7.043 5.292
3 2HB LYS 1 1HB LYS 1 -9.006 -7.100 6.250
4 1HG LYS 1 2HG LYS 1 -9.749 -5.052 4.949
5 2HG LYS 1 1HG LYS 1 -8.407 -5.395 3.857
6 1HD LYS 1 2HD LYS 1 -9.953 -6.651 2.782
7 2HD LYS 1 1HD LYS 1 -9.544 -7.840 4.023
8 1HE LYS 1 2HE LYS 1 -11.383 -7.005 5.412
9 2HE LYS 1 1HE LYS 1 -11.799 -5.848 4.150
10 1HZ LYS 1 1HZ LYS 1 -13.084 -8.030 4.253
11 2HZ LYS 1 2HZ LYS 1 -11.701 -8.738 3.583
12 3HZ LYS 1 3HZ LYS 1 -12.519 -7.519 2.742
13 H TYR 2 H TYR 2 -5.304 -5.033 7.371
14 HA TYR 2 HA TYR 2 -4.800 -2.882 5.529
15 1HB TYR 2 2HB TYR 2 -3.636 -3.690 7.912
16 2HB TYR 2 1HB TYR 2 -2.425 -4.121 6.702
17 HD1 TYR 2 1HD TYR 2 -4.517 -1.391 7.931
18 HD2 TYR 2 2HD TYR 2 -1.088 -2.437 5.694
19 HE1 TYR 2 1HE TYR 2 -3.866 0.990 7.826
20 HE2 TYR 2 2HE TYR 2 -0.427 -0.098 5.541
21 HH TYR 2 HH TYR 2 -2.378 2.411 6.126
22 H TYR 3 H TYR 3 -3.647 -3.023 3.614
23 HA TYR 3 HA TYR 3 -3.080 -5.771 2.710
24 1HB TYR 3 2HB TYR 3 -3.874 -3.258 1.249
25 2HB TYR 3 1HB TYR 3 -3.038 -4.551 0.392
26 HD1 TYR 3 1HD TYR 3 -4.094 -6.935 0.680
27 HD2 TYR 3 2HD TYR 3 -6.175 -3.307 1.363
28 HE1 TYR 3 1HE TYR 3 -6.233 -8.113 0.374
29 HE2 TYR 3 2HE TYR 3 -8.322 -4.451 1.057
30 HH TYR 3 HH TYR 3 -8.889 -6.940 -0.386
31 H GLY 4 H GLY 4 -1.310 -4.324 4.430
32 1HA GLY 4 2HA GLY 4 0.865 -3.594 4.616
33 2HA GLY 4 1HA GLY 4 1.171 -4.862 3.434
34 H ASN 5 H ASN 5 -0.840 -2.178 2.576
35 HA ASN 5 HA ASN 5 1.350 -0.739 1.290
36 1HB ASN 5 2HB ASN 5 -0.779 -2.288 -0.115
37 2HB ASN 5 1HB ASN 5 -0.417 -0.688 -0.754
38 1HD2 ASN 5 1HD2 ASN 5 0.290 -3.847 -1.080
39 2HD2 ASN 5 2HD2 ASN 5 1.879 -3.735 -1.747
40 H GLY 6 H GLY 6 -0.386 -0.195 3.539
41 1HA GLY 6 2HA GLY 6 -1.716 1.486 4.366
42 2HA GLY 6 1HA GLY 6 -1.152 2.439 3.003
43 H VAL 7 H VAL 7 -3.122 -0.515 3.092
44 HA VAL 7 HA VAL 7 -5.401 1.001 2.022
45 HB VAL 7 HB VAL 7 -4.216 -1.447 0.703
46 1HG1 VAL 7 1HG1 VAL 7 -6.592 -1.781 0.844
47 2HG1 VAL 7 2HG1 VAL 7 -6.191 -1.303 -0.804
48 3HG1 VAL 7 3HG1 VAL 7 -6.888 -0.128 0.320
49 1HG2 VAL 7 1HG2 VAL 7 -5.098 0.989 -0.734
50 2HG2 VAL 7 2HG2 VAL 7 -3.781 -0.127 -1.107
51 3HG2 VAL 7 3HG2 VAL 7 -3.595 1.074 0.174
52 H HIS 8 H HIS 8 -6.779 0.690 3.705
53 HA HIS 8 HA HIS 8 -7.172 -2.087 4.558
54 1HB HIS 8 2HB HIS 8 -8.529 -0.336 6.344
55 2HB HIS 8 1HB HIS 8 -7.163 -1.388 6.679
56 HD1 HIS 8 1HD HIS 8 -7.881 1.696 7.629
57 HD2 HIS 8 2HD HIS 8 -4.840 0.321 5.161
58 HE1 HIS 8 1HE HIS 8 -6.083 3.444 7.748
59 HE2 HIS 8 2HE HIS 8 -4.338 2.688 6.102
60 H CYS 9 H CYS 9 -9.139 -3.028 4.369
61 HA CYS 9 HA CYS 9 -11.204 -1.391 3.104
62 1HB CYS 9 2HB CYS 9 -10.092 -3.799 2.325
63 2HB CYS 9 1HB CYS 9 -11.661 -4.253 2.983
64 H THR 10 H THR 10 -11.764 -0.562 5.147
65 HA THR 10 HA THR 10 -13.061 -2.381 7.022
66 HB THR 10 HB THR 10 -12.928 -0.666 8.624
67 HG1 THR 10 1HG THR 10 -12.318 1.216 6.604
68 1HG2 THR 10 1HG2 THR 10 -10.625 -1.466 7.675
69 2HG2 THR 10 2HG2 THR 10 -10.715 -0.126 8.818
70 3HG2 THR 10 3HG2 THR 10 -10.527 0.197 7.093
71 H LYS 11 H LYS 11 -14.857 -0.747 8.194
72 HA LYS 11 HA LYS 11 -17.126 -0.505 8.116
73 1HB LYS 11 2HB LYS 11 -15.699 1.606 6.879
74 2HB LYS 11 1HB LYS 11 -17.211 1.414 6.005
75 1HG LYS 11 2HG LYS 11 -18.471 2.085 7.746
76 2HG LYS 11 1HG LYS 11 -17.373 1.405 8.948
77 1HD LYS 11 2HD LYS 11 -16.112 3.289 9.063
78 2HD LYS 11 1HD LYS 11 -16.350 3.682 7.359
79 1HE LYS 11 2HE LYS 11 -18.875 3.933 8.496
80 2HE LYS 11 1HE LYS 11 -17.781 4.617 9.697
81 1HZ LYS 11 1HZ LYS 11 -18.094 6.439 8.416
82 2HZ LYS 11 2HZ LYS 11 -18.414 5.556 7.009
83 3HZ LYS 11 3HZ LYS 11 -16.818 5.765 7.531
84 H SER 12 H SER 12 -16.719 0.265 4.716
85 HA SER 12 HA SER 12 -17.997 -2.214 3.898
86 1HB SER 12 2HB SER 12 -19.589 -0.545 2.493
87 2HB SER 12 1HB SER 12 -20.040 -1.220 4.059
88 HG SER 12 HG SER 12 -19.902 1.289 3.476
89 H GLY 13 H GLY 13 -15.443 -0.612 3.452
90 1HA GLY 13 2HA GLY 13 -15.126 -1.291 0.714
91 2HA GLY 13 1HA GLY 13 -15.316 0.446 0.890
92 H CYS 14 H CYS 14 -13.077 0.062 -0.173
93 HA CYS 14 HA CYS 14 -11.005 -0.413 1.823
94 1HB CYS 14 2HB CYS 14 -10.982 -0.260 -1.152
95 2HB CYS 14 1HB CYS 14 -9.499 -0.079 -0.225
96 H SER 15 H SER 15 -9.543 0.997 2.486
97 HA SER 15 HA SER 15 -9.725 3.763 1.520
98 1HB SER 15 2HB SER 15 -9.614 3.156 4.476
99 2HB SER 15 1HB SER 15 -9.943 4.698 3.690
100 HG SER 15 HG SER 15 -11.872 3.799 4.416
101 H VAL 16 H VAL 16 -7.849 5.080 2.200
102 HA VAL 16 HA VAL 16 -5.487 3.413 2.752
103 HB VAL 16 HB VAL 16 -5.654 5.638 0.714
104 1HG1 VAL 16 1HG1 VAL 16 -3.465 5.826 1.107
105 2HG1 VAL 16 2HG1 VAL 16 -3.304 4.272 0.297
106 3HG1 VAL 16 3HG1 VAL 16 -3.417 4.349 2.053
107 1HG2 VAL 16 1HG2 VAL 16 -6.514 3.947 -0.525
108 2HG2 VAL 16 2HG2 VAL 16 -5.812 2.700 0.510
109 3HG2 VAL 16 3HG2 VAL 16 -4.803 3.528 -0.677
110 H ASN 17 H ASN 17 -4.219 4.126 4.337
111 HA ASN 17 HA ASN 17 -4.780 6.514 5.802
112 1HB ASN 17 2HB ASN 17 -2.900 4.259 5.982
113 2HB ASN 17 1HB ASN 17 -2.228 5.782 6.559
114 1HD2 ASN 17 1HD2 ASN 17 -2.620 3.621 8.228
115 2HD2 ASN 17 2HD2 ASN 17 -3.870 3.991 9.363
116 H TRP 18 H TRP 18 -2.697 5.608 3.215
117 HA TRP 18 HA TRP 18 -1.471 6.757 1.731
118 1HB TRP 18 2HB TRP 18 -2.680 9.133 3.152
119 2HB TRP 18 1HB TRP 18 -1.580 9.292 1.777
120 HD1 TRP 18 HD TRP 18 -5.180 8.729 2.545
121 HE1 TRP 18 1HE TRP 18 -6.459 8.041 0.422
122 HE3 TRP 18 3HE TRP 18 -1.217 7.836 -0.509
123 HZ2 TRP 18 2HZ TRP 18 -5.855 7.227 -2.217
124 HZ3 TRP 18 3HZ TRP 18 -1.640 7.103 -2.828
125 HH2 TRP 18 HH TRP 18 -3.915 6.802 -3.653
126 H GLY 19 H GLY 19 -0.963 8.655 4.746
127 1HA GLY 19 2HA GLY 19 1.775 8.923 4.374
128 2HA GLY 19 1HA GLY 19 1.000 8.871 5.960
129 H GLU 20 H GLU 20 -0.099 6.175 5.436
130 HA GLU 20 HA GLU 20 2.140 4.623 6.352
131 1HB GLU 20 2HB GLU 20 -0.739 4.323 6.252
132 2HB GLU 20 1HB GLU 20 0.038 2.867 5.627
133 1HG GLU 20 2HG GLU 20 0.957 4.058 8.210
134 2HG GLU 20 1HG GLU 20 -0.501 3.069 8.155
135 H ALA 21 H ALA 21 0.143 4.793 3.450
136 HA ALA 21 HA ALA 21 1.482 2.734 2.007
137 1HB ALA 21 1HB ALA 21 0.321 3.664 0.061
138 2HB ALA 21 2HB ALA 21 -0.144 5.067 1.020
139 3HB ALA 21 3HB ALA 21 -0.775 3.473 1.432
140 H PHE 22 H PHE 22 1.824 6.178 2.377
141 HA PHE 22 HA PHE 22 3.621 6.743 0.302
142 1HB PHE 22 2HB PHE 22 2.427 8.428 1.699
143 2HB PHE 22 1HB PHE 22 3.451 7.986 3.062
144 HD1 PHE 22 1HD PHE 22 3.467 9.467 -0.316
145 HD2 PHE 22 2HD PHE 22 5.590 8.853 3.305
146 HE1 PHE 22 1HE PHE 22 5.118 11.153 -1.011
147 HE2 PHE 22 2HE PHE 22 7.248 10.549 2.629
148 HZ PHE 22 HZ PHE 22 7.015 11.693 0.463
149 H SER 23 H SER 23 4.004 5.518 3.556
150 HA SER 23 HA SER 23 6.874 5.543 3.541
151 1HB SER 23 2HB SER 23 4.757 4.476 5.337
152 2HB SER 23 1HB SER 23 6.299 3.624 5.374
153 HG SER 23 HG SER 23 6.092 6.434 5.621
154 H ALA 24 H ALA 24 4.382 3.429 2.406
155 HA ALA 24 HA ALA 24 6.029 1.109 2.046
156 1HB ALA 24 1HB ALA 24 3.400 1.386 2.224
157 2HB ALA 24 2HB ALA 24 4.132 0.067 1.310
158 3HB ALA 24 3HB ALA 24 3.538 1.500 0.470
159 H GLY 25 H GLY 25 4.609 3.533 -0.150
160 1HA GLY 25 2HA GLY 25 5.840 2.591 -2.494
161 2HA GLY 25 1HA GLY 25 5.234 4.217 -2.256
162 H VAL 26 H VAL 26 6.867 5.128 -0.168
163 HA VAL 26 HA VAL 26 9.143 5.952 -1.567
164 HB VAL 26 HB VAL 26 8.799 5.794 1.440
165 1HG1 VAL 26 1HG1 VAL 26 10.838 7.125 -0.301
166 2HG1 VAL 26 2HG1 VAL 26 11.070 6.181 1.171
167 3HG1 VAL 26 3HG1 VAL 26 10.410 7.814 1.264
168 1HG2 VAL 26 1HG2 VAL 26 8.300 8.088 -0.434
169 2HG2 VAL 26 2HG2 VAL 26 8.065 8.069 1.317
170 3HG2 VAL 26 3HG2 VAL 26 7.055 7.060 0.279
171 H HIS 27 H HIS 27 8.866 3.285 0.833
172 HA HIS 27 HA HIS 27 11.612 2.677 0.880
173 1HB HIS 27 2HB HIS 27 9.201 0.889 1.294
174 2HB HIS 27 1HB HIS 27 10.859 0.364 1.560
175 HD1 HIS 27 1HD HIS 27 9.882 3.799 2.554
176 HD2 HIS 27 2HD HIS 27 10.358 0.066 4.309
177 HE1 HIS 27 1HE HIS 27 9.821 4.212 5.015
178 HE2 HIS 27 2HE HIS 27 10.061 1.934 6.075
179 H ARG 28 H ARG 28 9.001 1.504 -1.183
180 HA ARG 28 HA ARG 28 10.625 -0.258 -2.707
181 1HB ARG 28 2HB ARG 28 8.246 -0.617 -2.559
182 2HB ARG 28 1HB ARG 28 7.918 0.969 -3.234
183 1HG ARG 28 2HG ARG 28 7.531 -0.666 -4.917
184 2HG ARG 28 1HG ARG 28 8.983 0.238 -5.344
185 1HD ARG 28 2HD ARG 28 9.230 -2.198 -5.708
186 2HD ARG 28 1HD ARG 28 10.390 -1.556 -4.545
187 HE ARG 28 HE ARG 28 8.246 -2.434 -3.058
188 1HH1 ARG 28 1HH1 ARG 28 10.513 -3.866 -5.292
189 2HH1 ARG 28 2HH1 ARG 28 10.453 -5.427 -4.542
190 1HH2 ARG 28 1HH2 ARG 28 8.170 -4.477 -2.071
191 2HH2 ARG 28 2HH2 ARG 28 9.122 -5.774 -2.711
192 H LEU 29 H LEU 29 9.539 3.063 -3.149
193 HA LEU 29 HA LEU 29 10.615 3.357 -5.765
194 1HB LEU 29 2HB LEU 29 8.729 4.645 -5.251
195 2HB LEU 29 1HB LEU 29 9.432 5.234 -3.759
196 HG LEU 29 HG LEU 29 11.004 6.614 -5.032
197 1HD1 LEU 29 1HD1 LEU 29 9.682 5.292 -7.378
198 2HD1 LEU 29 2HD1 LEU 29 11.401 5.414 -7.003
199 3HD1 LEU 29 3HD1 LEU 29 10.508 6.843 -7.523
200 1HD2 LEU 29 1HD2 LEU 29 8.083 6.896 -5.691
201 2HD2 LEU 29 2HD2 LEU 29 9.283 8.113 -6.128
202 3HD2 LEU 29 3HD2 LEU 29 9.004 7.718 -4.431
203 H ALA 30 H ALA 30 11.544 4.670 -2.622
204 HA ALA 30 HA ALA 30 13.845 6.013 -3.543
205 1HB ALA 30 1HB ALA 30 12.796 5.273 -0.846
206 2HB ALA 30 2HB ALA 30 12.915 6.861 -1.601
207 3HB ALA 30 3HB ALA 30 14.368 6.045 -1.026
208 H ASN 31 H ASN 31 13.373 2.677 -2.658
209 HA ASN 31 HA ASN 31 16.165 2.266 -2.050
210 1HB ASN 31 2HB ASN 31 14.163 0.879 -1.149
211 2HB ASN 31 1HB ASN 31 14.277 0.016 -2.682
212 1HD2 ASN 31 1HD2 ASN 31 16.673 -0.581 -3.203
213 2HD2 ASN 31 2HD2 ASN 31 17.534 -1.317 -1.899
214 H GLY 32 H GLY 32 14.136 2.151 -4.850
215 1HA GLY 32 2HA GLY 32 16.064 0.655 -6.421
216 2HA GLY 32 1HA GLY 32 14.553 1.343 -6.999
217 H GLY 33 H GLY 33 14.488 3.506 -7.672
218 1HA GLY 33 2HA GLY 33 16.201 5.543 -7.492
219 2HA GLY 33 1HA GLY 33 17.061 4.491 -8.607
220 H ASN 34 H ASN 34 13.684 5.559 -8.194
221 HA ASN 34 HA ASN 34 12.142 6.308 -9.694
222 1HB ASN 34 2HB ASN 34 14.537 7.519 -11.090
223 2HB ASN 34 1HB ASN 34 12.866 8.064 -11.191
224 1HD2 ASN 34 1HD2 ASN 34 15.657 8.987 -10.034
225 2HD2 ASN 34 2HD2 ASN 34 15.188 9.754 -8.559
226 H GLY 35 H GLY 35 11.390 4.436 -10.647
227 1HA GLY 35 2HA GLY 35 11.928 4.102 -13.419
228 2HA GLY 35 1HA GLY 35 12.705 2.832 -12.488
229 H PHE 36 H PHE 36 9.921 3.761 -14.062
230 HA PHE 36 HA PHE 36 7.798 2.967 -14.217
231 1HB PHE 36 2HB PHE 36 7.590 0.578 -14.291
232 2HB PHE 36 1HB PHE 36 9.177 1.002 -14.920
233 HD1 PHE 36 1HD PHE 36 11.112 0.103 -13.991
234 HD2 PHE 36 2HD PHE 36 7.417 -0.220 -11.918
235 HE1 PHE 36 1HE PHE 36 12.160 -1.437 -12.380
236 HE2 PHE 36 2HE PHE 36 8.454 -1.763 -10.297
237 HZ PHE 36 HZ PHE 36 10.829 -2.370 -10.529
238 H TRP 37 H TRP 37 6.029 1.636 -13.053
239 HA TRP 37 HA TRP 37 4.699 1.290 -11.234
240 1HB TRP 37 2HB TRP 37 7.019 0.544 -10.208
241 2HB TRP 37 1HB TRP 37 6.849 2.041 -9.298
242 HD1 TRP 37 HD TRP 37 5.216 2.034 -7.268
243 HE1 TRP 37 1HE TRP 37 3.706 0.251 -6.187
244 HE3 TRP 37 3HE TRP 37 5.517 -1.582 -10.870
245 HZ2 TRP 37 2HZ TRP 37 2.768 -2.343 -6.781
246 HZ3 TRP 37 3HZ TRP 37 4.284 -3.686 -10.535
247 HH2 TRP 37 HH TRP 37 2.939 -4.057 -8.533