Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
587658 | 2mla RC | 19810 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H1 VAL 1 -3.422 -8.315 -3.729
2 H2 VAL 1 H2 VAL 1 -4.606 -7.641 -2.730
3 H3 VAL 1 H3 VAL 1 -2.996 -7.134 -2.589
4 HA VAL 1 HA VAL 1 -4.704 -6.755 -4.981
5 HB VAL 1 HB VAL 1 -3.898 -4.791 -2.835
6 HG11 VAL 1 HG11 VAL 1 -3.703 -3.761 -5.047
7 HG12 VAL 1 HG12 VAL 1 -5.080 -3.104 -4.162
8 HG13 VAL 1 HG13 VAL 1 -5.339 -4.289 -5.442
9 HG21 VAL 1 HG21 VAL 1 -6.349 -4.505 -2.631
10 HG22 VAL 1 HG22 VAL 1 -5.801 -6.124 -2.210
11 HG23 VAL 1 HG23 VAL 1 -6.568 -5.828 -3.770
12 H GLY 2 H GLY 2 -1.828 -5.464 -3.300
13 HA2 GLY 2 HA2 GLY 2 0.300 -5.104 -4.101
14 HA3 GLY 2 HA3 GLY 2 -0.160 -5.933 -5.578
15 H ILE 3 H ILE 3 0.953 -3.121 -4.459
16 HA ILE 3 HA ILE 3 -0.131 -1.677 -6.780
17 HB ILE 3 HB ILE 3 0.329 0.447 -5.510
18 HG12 ILE 3 HG12 ILE 3 0.494 -1.440 -3.148
19 HG13 ILE 3 HG13 ILE 3 1.830 -0.501 -3.805
20 HG21 ILE 3 HG21 ILE 3 -1.734 0.294 -4.120
21 HG22 ILE 3 HG22 ILE 3 -1.771 -1.437 -4.456
22 HG23 ILE 3 HG23 ILE 3 -1.932 -0.280 -5.777
23 HD11 ILE 3 HD11 ILE 3 0.817 1.542 -3.118
24 HD12 ILE 3 HD12 ILE 3 0.808 0.439 -1.745
25 HD13 ILE 3 HD13 ILE 3 -0.671 0.715 -2.664
26 H ASN 4 H ASN 4 1.425 -0.045 -7.612
27 HA ASN 4 HA ASN 4 3.993 -1.333 -7.894
28 HB2 ASN 4 HB2 ASN 4 2.727 -0.346 -9.828
29 HB3 ASN 4 HB3 ASN 4 3.036 1.248 -9.154
30 HD21 ASN 4 HD21 ASN 4 5.061 2.150 -9.355
31 HD22 ASN 4 HD22 ASN 4 6.311 1.457 -10.333
32 H VAL 5 H VAL 5 4.222 -0.875 -5.484
33 HA VAL 5 HA VAL 5 5.883 1.515 -5.168
34 HB VAL 5 HB VAL 5 3.878 0.666 -3.079
35 HG11 VAL 5 HG11 VAL 5 4.411 2.740 -1.968
36 HG12 VAL 5 HG12 VAL 5 5.534 3.170 -3.258
37 HG13 VAL 5 HG13 VAL 5 5.880 1.792 -2.212
38 HG21 VAL 5 HG21 VAL 5 2.656 2.689 -3.614
39 HG22 VAL 5 HG22 VAL 5 2.656 1.542 -4.950
40 HG23 VAL 5 HG23 VAL 5 3.704 2.963 -5.000
41 H LYS 6 H LYS 6 7.257 1.357 -3.292
42 HA LYS 6 HA LYS 6 7.987 -1.438 -2.717
43 HB2 LYS 6 HB2 LYS 6 9.761 1.004 -2.903
44 HB3 LYS 6 HB3 LYS 6 10.306 -0.598 -2.424
45 HG2 LYS 6 HG2 LYS 6 9.738 -1.482 -4.599
46 HG3 LYS 6 HG3 LYS 6 9.080 0.080 -5.088
47 HD2 LYS 6 HD2 LYS 6 11.292 1.088 -4.850
48 HD3 LYS 6 HD3 LYS 6 11.949 -0.470 -4.344
49 HE2 LYS 6 HE2 LYS 6 11.411 -1.435 -6.496
50 HE3 LYS 6 HE3 LYS 6 10.640 0.067 -7.005
51 HZ1 LYS 6 HZ1 LYS 6 13.514 -0.238 -6.332
52 HZ2 LYS 6 HZ2 LYS 6 12.766 1.179 -6.863
53 HZ3 LYS 6 HZ3 LYS 6 12.880 -0.154 -7.897
54 H CYS 7 H CYS 7 7.962 -2.055 -0.671
55 HA CYS 7 HA CYS 7 6.962 -0.382 1.370
56 HB2 CYS 7 HB2 CYS 7 6.486 -2.656 1.652
57 HB3 CYS 7 HB3 CYS 7 8.152 -3.141 1.355
58 H LYS 8 H LYS 8 8.342 1.420 1.688
59 HA LYS 8 HA LYS 8 11.040 0.891 2.629
60 HB2 LYS 8 HB2 LYS 8 9.470 3.468 2.418
61 HB3 LYS 8 HB3 LYS 8 11.146 3.356 2.929
62 HG2 LYS 8 HG2 LYS 8 10.125 2.486 0.234
63 HG3 LYS 8 HG3 LYS 8 10.857 4.055 0.574
64 HD2 LYS 8 HD2 LYS 8 12.900 2.872 1.342
65 HD3 LYS 8 HD3 LYS 8 12.164 1.351 0.838
66 HE2 LYS 8 HE2 LYS 8 12.046 2.137 -1.451
67 HE3 LYS 8 HE3 LYS 8 12.689 3.705 -0.969
68 HZ1 LYS 8 HZ1 LYS 8 14.733 2.566 -0.268
69 HZ2 LYS 8 HZ2 LYS 8 14.423 2.377 -1.920
70 HZ3 LYS 8 HZ3 LYS 8 14.113 1.103 -0.853
71 H HIS 9 H HIS 9 7.865 1.681 3.818
72 HA HIS 9 HA HIS 9 8.662 1.115 6.550
73 HB2 HIS 9 HB2 HIS 9 7.236 3.702 5.866
74 HB3 HIS 9 HB3 HIS 9 7.699 3.154 7.471
75 HD1 HIS 9 HD1 HIS 9 9.019 4.793 4.412
76 HD2 HIS 9 HD2 HIS 9 10.448 3.470 8.084
77 HE1 HIS 9 HE1 HIS 9 11.347 5.694 4.587
78 HE2 HIS 9 HE2 HIS 9 12.220 4.856 6.797
79 H SER 10 H SER 10 7.025 0.061 7.603
80 HA SER 10 HA SER 10 4.733 -0.672 6.072
81 HB2 SER 10 HB2 SER 10 4.085 -1.905 8.175
82 HB3 SER 10 HB3 SER 10 5.664 -2.316 7.506
83 HG SER 10 HG SER 10 5.255 -0.437 9.600
84 H GLY 11 H GLY 11 3.637 1.154 5.632
85 HA2 GLY 11 HA2 GLY 11 1.497 2.087 6.852
86 HA3 GLY 11 HA3 GLY 11 2.748 2.904 7.786
87 H GLN 12 H GLN 12 4.516 2.969 5.431
88 HA GLN 12 HA GLN 12 3.773 5.470 4.328
89 HB2 GLN 12 HB2 GLN 12 6.100 4.868 4.481
90 HB3 GLN 12 HB3 GLN 12 5.845 3.427 3.510
91 HG2 GLN 12 HG2 GLN 12 5.305 4.850 1.586
92 HG3 GLN 12 HG3 GLN 12 5.625 6.274 2.577
93 HE21 GLN 12 HE21 GLN 12 7.720 6.788 3.128
94 HE22 GLN 12 HE22 GLN 12 9.087 6.074 2.335
95 H CYS 13 H CYS 13 3.269 2.163 3.408
96 HA CYS 13 HA CYS 13 2.682 2.515 0.685
97 HB2 CYS 13 HB2 CYS 13 1.626 0.403 2.573
98 HB3 CYS 13 HB3 CYS 13 1.643 0.306 0.816
99 H LEU 14 H LEU 14 0.956 3.496 3.423
100 HA LEU 14 HA LEU 14 -1.705 3.317 2.473
101 HB2 LEU 14 HB2 LEU 14 -0.291 4.752 4.628
102 HB3 LEU 14 HB3 LEU 14 -1.792 5.467 4.104
103 HG LEU 14 HG LEU 14 -2.067 4.035 6.075
104 HD11 LEU 14 HD11 LEU 14 -3.367 3.116 3.541
105 HD12 LEU 14 HD12 LEU 14 -3.963 4.322 4.680
106 HD13 LEU 14 HD13 LEU 14 -3.897 2.622 5.147
107 HD21 LEU 14 HD21 LEU 14 -1.354 1.727 4.279
108 HD22 LEU 14 HD22 LEU 14 -1.762 1.673 5.996
109 HD23 LEU 14 HD23 LEU 14 -0.254 2.424 5.470
110 H LYS 15 H LYS 15 0.847 5.687 2.101
111 HA LYS 15 HA LYS 15 -0.698 7.858 1.255
112 HB2 LYS 15 HB2 LYS 15 2.177 7.227 0.582
113 HB3 LYS 15 HB3 LYS 15 1.406 8.793 0.382
114 HG2 LYS 15 HG2 LYS 15 1.087 8.985 2.764
115 HG3 LYS 15 HG3 LYS 15 1.727 7.359 3.011
116 HD2 LYS 15 HD2 LYS 15 3.889 8.092 2.099
117 HD3 LYS 15 HD3 LYS 15 3.242 9.721 1.901
118 HE2 LYS 15 HE2 LYS 15 2.863 9.859 4.313
119 HE3 LYS 15 HE3 LYS 15 3.510 8.232 4.510
120 HZ1 LYS 15 HZ1 LYS 15 5.163 9.895 5.028
121 HZ2 LYS 15 HZ2 LYS 15 5.006 10.587 3.495
122 HZ3 LYS 15 HZ3 LYS 15 5.632 9.023 3.657
123 HA PRO 16 HA PRO 16 -0.180 6.482 -3.278
124 HB2 PRO 16 HB2 PRO 16 0.890 4.091 -3.883
125 HB3 PRO 16 HB3 PRO 16 1.887 5.531 -3.648
126 HG2 PRO 16 HG2 PRO 16 1.342 3.272 -1.766
127 HG3 PRO 16 HG3 PRO 16 2.864 4.124 -2.086
128 HD2 PRO 16 HD2 PRO 16 1.258 4.627 0.072
129 HD3 PRO 16 HD3 PRO 16 2.358 5.818 -0.646
130 H CYS 17 H CYS 17 -1.140 4.351 -0.768
131 HA CYS 17 HA CYS 17 -2.697 2.566 -2.371
132 HB2 CYS 17 HB2 CYS 17 -1.719 2.058 -0.078
133 HB3 CYS 17 HB3 CYS 17 -3.032 3.026 0.588
134 H LYS 18 H LYS 18 -3.353 5.522 -0.558
135 HA LYS 18 HA LYS 18 -6.163 5.455 -0.849
136 HB2 LYS 18 HB2 LYS 18 -6.102 7.835 -0.353
137 HB3 LYS 18 HB3 LYS 18 -5.024 6.965 0.725
138 HG2 LYS 18 HG2 LYS 18 -3.111 7.744 -0.384
139 HG3 LYS 18 HG3 LYS 18 -4.045 8.289 -1.778
140 HD2 LYS 18 HD2 LYS 18 -3.324 10.172 -0.386
141 HD3 LYS 18 HD3 LYS 18 -5.080 10.028 -0.405
142 HE2 LYS 18 HE2 LYS 18 -4.248 10.508 1.839
143 HE3 LYS 18 HE3 LYS 18 -5.031 8.931 1.766
144 HZ1 LYS 18 HZ1 LYS 18 -2.962 8.889 3.033
145 HZ2 LYS 18 HZ2 LYS 18 -2.098 9.382 1.668
146 HZ3 LYS 18 HZ3 LYS 18 -2.879 7.882 1.679
147 H LYS 19 H LYS 19 -3.604 6.070 -3.040
148 HA LYS 19 HA LYS 19 -5.249 7.485 -4.965
149 HB2 LYS 19 HB2 LYS 19 -2.461 6.334 -5.241
150 HB3 LYS 19 HB3 LYS 19 -3.258 7.369 -6.416
151 HG2 LYS 19 HG2 LYS 19 -2.438 8.132 -3.621
152 HG3 LYS 19 HG3 LYS 19 -1.672 8.645 -5.125
153 HD2 LYS 19 HD2 LYS 19 -3.800 9.733 -5.782
154 HD3 LYS 19 HD3 LYS 19 -4.467 9.303 -4.206
155 HE2 LYS 19 HE2 LYS 19 -3.716 11.576 -4.117
156 HE3 LYS 19 HE3 LYS 19 -2.628 10.592 -3.142
157 HZ1 LYS 19 HZ1 LYS 19 -1.422 12.172 -4.515
158 HZ2 LYS 19 HZ2 LYS 19 -2.100 11.512 -5.913
159 HZ3 LYS 19 HZ3 LYS 19 -1.051 10.586 -4.967
160 H ALA 20 H ALA 20 -4.421 4.336 -4.057
161 HA ALA 20 HA ALA 20 -5.144 3.053 -6.541
162 HB1 ALA 20 HB1 ALA 20 -4.663 1.912 -3.785
163 HB2 ALA 20 HB2 ALA 20 -3.480 2.018 -5.093
164 HB3 ALA 20 HB3 ALA 20 -4.887 0.966 -5.260
165 H GLY 21 H GLY 21 -6.643 4.052 -3.592
166 HA2 GLY 21 HA2 GLY 21 -8.952 4.389 -3.321
167 HA3 GLY 21 HA3 GLY 21 -9.249 3.293 -4.663
168 H MET 22 H MET 22 -6.994 2.243 -2.313
169 HA MET 22 HA MET 22 -8.931 0.215 -1.477
170 HB2 MET 22 HB2 MET 22 -5.915 0.257 -1.406
171 HB3 MET 22 HB3 MET 22 -6.880 -1.005 -0.661
172 HG2 MET 22 HG2 MET 22 -6.857 -0.287 -3.580
173 HG3 MET 22 HG3 MET 22 -6.087 -1.691 -2.840
174 HE1 MET 22 HE1 MET 22 -7.390 -3.189 -4.703
175 HE2 MET 22 HE2 MET 22 -8.163 -1.730 -5.322
176 HE3 MET 22 HE3 MET 22 -9.140 -3.139 -4.912
177 H ARG 23 H ARG 23 -8.209 -0.687 0.851
178 HA ARG 23 HA ARG 23 -9.060 1.471 2.549
179 HB2 ARG 23 HB2 ARG 23 -9.934 -0.894 2.647
180 HB3 ARG 23 HB3 ARG 23 -8.396 -1.360 3.345
181 HG2 ARG 23 HG2 ARG 23 -8.832 -0.341 5.339
182 HG3 ARG 23 HG3 ARG 23 -9.935 0.833 4.621
183 HD2 ARG 23 HD2 ARG 23 -10.932 -1.041 6.076
184 HD3 ARG 23 HD3 ARG 23 -11.695 -0.695 4.527
185 HE ARG 23 HE ARG 23 -10.145 -2.628 3.750
186 HH11 ARG 23 HH11 ARG 23 -11.816 -2.441 6.823
187 HH12 ARG 23 HH12 ARG 23 -12.035 -4.158 6.944
188 HH21 ARG 23 HH21 ARG 23 -10.454 -4.867 3.896
189 HH22 ARG 23 HH22 ARG 23 -11.256 -5.538 5.285
190 H PHE 24 H PHE 24 -6.493 -0.937 3.196
191 HA PHE 24 HA PHE 24 -4.764 1.301 3.998
192 HB2 PHE 24 HB2 PHE 24 -4.054 -1.216 5.285
193 HB3 PHE 24 HB3 PHE 24 -4.257 0.381 5.994
194 HD1 PHE 24 HD1 PHE 24 -5.899 -2.715 5.065
195 HD2 PHE 24 HD2 PHE 24 -6.290 0.958 7.140
196 HE1 PHE 24 HE1 PHE 24 -7.943 -3.549 6.095
197 HE2 PHE 24 HE2 PHE 24 -8.342 0.130 8.223
198 HZ PHE 24 HZ PHE 24 -9.174 -2.134 7.706
199 H GLY 25 H GLY 25 -2.424 0.462 4.142
200 HA2 GLY 25 HA2 GLY 25 -1.830 -1.326 1.894
201 HA3 GLY 25 HA3 GLY 25 -1.060 0.249 2.002
202 H LYS 26 H LYS 26 -0.942 -2.992 2.929
203 HA LYS 26 HA LYS 26 0.810 -2.544 5.215
204 HB2 LYS 26 HB2 LYS 26 0.691 -4.975 5.506
205 HB3 LYS 26 HB3 LYS 26 -0.916 -4.270 5.402
206 HG2 LYS 26 HG2 LYS 26 -1.037 -4.956 3.042
207 HG3 LYS 26 HG3 LYS 26 0.545 -5.721 3.205
208 HD2 LYS 26 HD2 LYS 26 -0.325 -7.231 4.883
209 HD3 LYS 26 HD3 LYS 26 -1.896 -6.429 4.830
210 HE2 LYS 26 HE2 LYS 26 -2.073 -7.061 2.437
211 HE3 LYS 26 HE3 LYS 26 -0.567 -7.961 2.600
212 HZ1 LYS 26 HZ1 LYS 26 -3.084 -8.493 4.080
213 HZ2 LYS 26 HZ2 LYS 26 -1.637 -9.342 4.280
214 HZ3 LYS 26 HZ3 LYS 26 -2.461 -9.417 2.808
215 H CYS 27 H CYS 27 2.840 -3.804 5.330
216 HA CYS 27 HA CYS 27 4.306 -3.497 2.858
217 HB2 CYS 27 HB2 CYS 27 5.012 -3.835 5.712
218 HB3 CYS 27 HB3 CYS 27 6.162 -4.459 4.534
219 H ILE 28 H ILE 28 4.846 -5.018 1.526
220 HA ILE 28 HA ILE 28 4.582 -7.821 2.357
221 HB ILE 28 HB ILE 28 3.139 -6.503 0.382
222 HG12 ILE 28 HG12 ILE 28 2.267 -8.697 -0.180
223 HG13 ILE 28 HG13 ILE 28 3.655 -9.474 0.577
224 HG21 ILE 28 HG21 ILE 28 5.227 -8.209 -0.965
225 HG22 ILE 28 HG22 ILE 28 5.044 -6.458 -1.112
226 HG23 ILE 28 HG23 ILE 28 3.788 -7.529 -1.736
227 HD11 ILE 28 HD11 ILE 28 1.695 -7.731 2.059
228 HD12 ILE 28 HD12 ILE 28 2.946 -8.772 2.744
229 HD13 ILE 28 HD13 ILE 28 1.557 -9.486 1.927
230 H ASN 29 H ASN 29 5.942 -9.195 0.617
231 HA ASN 29 HA ASN 29 8.593 -8.914 1.120
232 HB2 ASN 29 HB2 ASN 29 9.005 -10.361 -0.860
233 HB3 ASN 29 HB3 ASN 29 7.701 -10.929 0.169
234 HD21 ASN 29 HD21 ASN 29 5.583 -10.845 -0.571
235 HD22 ASN 29 HD22 ASN 29 5.203 -10.640 -2.248
236 H GLY 30 H GLY 30 9.184 -6.733 1.020
237 HA2 GLY 30 HA2 GLY 30 10.464 -5.078 0.069
238 HA3 GLY 30 HA3 GLY 30 10.479 -6.003 -1.421
239 H LYS 31 H LYS 31 7.298 -5.802 -0.841
240 HA LYS 31 HA LYS 31 7.106 -3.310 -2.412
241 HB2 LYS 31 HB2 LYS 31 5.544 -5.865 -2.827
242 HB3 LYS 31 HB3 LYS 31 5.277 -4.363 -3.697
243 HG2 LYS 31 HG2 LYS 31 7.494 -4.494 -4.667
244 HG3 LYS 31 HG3 LYS 31 7.824 -5.966 -3.751
245 HD2 LYS 31 HD2 LYS 31 6.052 -7.131 -4.928
246 HD3 LYS 31 HD3 LYS 31 5.626 -5.652 -5.794
247 HE2 LYS 31 HE2 LYS 31 7.790 -5.629 -6.880
248 HE3 LYS 31 HE3 LYS 31 8.297 -7.041 -5.956
249 HZ1 LYS 31 HZ1 LYS 31 6.618 -8.349 -7.060
250 HZ2 LYS 31 HZ2 LYS 31 7.603 -7.600 -8.212
251 HZ3 LYS 31 HZ3 LYS 31 6.059 -6.993 -7.904
252 H CYS 32 H CYS 32 4.677 -2.686 -2.593
253 HA CYS 32 HA CYS 32 3.554 -2.715 0.122
254 HB2 CYS 32 HB2 CYS 32 3.370 -0.759 -2.150
255 HB3 CYS 32 HB3 CYS 32 2.260 -0.679 -0.797
256 H ASP 33 H ASP 33 1.896 -4.019 0.399
257 HA ASP 33 HA ASP 33 0.070 -4.464 -1.880
258 HB2 ASP 33 HB2 ASP 33 1.081 -6.544 -1.174
259 HB3 ASP 33 HB3 ASP 33 0.614 -6.250 0.498
260 H CYS 34 H CYS 34 -1.948 -3.786 -1.721
261 HA CYS 34 HA CYS 34 -2.737 -2.454 0.737
262 HB2 CYS 34 HB2 CYS 34 -3.828 -2.401 -2.061
263 HB3 CYS 34 HB3 CYS 34 -4.682 -1.667 -0.712
264 H THR 35 H THR 35 -4.760 -2.725 1.709
265 HA THR 35 HA THR 35 -5.977 -5.368 1.276
266 HB THR 35 HB THR 35 -6.292 -3.448 3.573
267 HG1 THR 35 HG1 THR 35 -4.749 -5.835 3.358
268 HG21 THR 35 HG21 THR 35 -8.226 -4.915 3.257
269 HG22 THR 35 HG22 THR 35 -7.351 -5.297 4.744
270 HG23 THR 35 HG23 THR 35 -7.157 -6.322 3.321
271 HA PRO 36 HA PRO 36 -9.342 -2.942 -0.418
272 HB2 PRO 36 HB2 PRO 36 -10.815 -4.977 -1.319
273 HB3 PRO 36 HB3 PRO 36 -9.316 -4.511 -2.124
274 HG2 PRO 36 HG2 PRO 36 -9.841 -6.780 -0.253
275 HG3 PRO 36 HG3 PRO 36 -8.829 -6.736 -1.708
276 HD2 PRO 36 HD2 PRO 36 -7.886 -6.513 0.886
277 HD3 PRO 36 HD3 PRO 36 -7.025 -5.948 -0.559
278 H LYS 37 H LYS 37 -11.806 -3.112 -0.173
279 HA LYS 37 HA LYS 37 -12.407 -3.593 2.622
280 HB2 LYS 37 HB2 LYS 37 -14.605 -2.540 2.079
281 HB3 LYS 37 HB3 LYS 37 -13.223 -1.509 1.749
282 HG2 LYS 37 HG2 LYS 37 -13.392 -2.084 -0.636
283 HG3 LYS 37 HG3 LYS 37 -14.816 -3.062 -0.280
284 HD2 LYS 37 HD2 LYS 37 -15.962 -1.070 0.569
285 HD3 LYS 37 HD3 LYS 37 -14.540 -0.095 0.191
286 HE2 LYS 37 HE2 LYS 37 -16.251 -1.614 -1.774
287 HE3 LYS 37 HE3 LYS 37 -16.213 0.134 -1.555
288 HZ1 LYS 37 HZ1 LYS 37 -13.959 -1.553 -2.497
289 HZ2 LYS 37 HZ2 LYS 37 -13.888 0.116 -2.255
290 HZ3 LYS 37 HZ3 LYS 37 -14.893 -0.521 -3.452
Start of MODEL 2
1 H1 VAL 1 H1 VAL 1 -5.379 -8.262 -5.793
2 H2 VAL 1 H2 VAL 1 -4.120 -8.499 -4.691
3 H3 VAL 1 H3 VAL 1 -3.783 -8.359 -6.339
4 HA VAL 1 HA VAL 1 -4.508 -6.090 -6.353
5 HB VAL 1 HB VAL 1 -5.020 -4.934 -4.253
6 HG11 VAL 1 HG11 VAL 1 -7.276 -5.748 -3.999
7 HG12 VAL 1 HG12 VAL 1 -6.840 -7.290 -4.728
8 HG13 VAL 1 HG13 VAL 1 -6.817 -5.818 -5.697
9 HG21 VAL 1 HG21 VAL 1 -3.823 -6.506 -2.779
10 HG22 VAL 1 HG22 VAL 1 -5.112 -7.685 -3.025
11 HG23 VAL 1 HG23 VAL 1 -5.457 -6.152 -2.220
12 H GLY 2 H GLY 2 -3.257 -4.247 -5.063
13 HA2 GLY 2 HA2 GLY 2 -1.215 -4.042 -3.597
14 HA3 GLY 2 HA3 GLY 2 -0.534 -5.301 -4.620
15 H ILE 3 H ILE 3 0.386 -2.541 -4.149
16 HA ILE 3 HA ILE 3 0.063 -1.454 -6.858
17 HB ILE 3 HB ILE 3 0.797 0.729 -5.836
18 HG12 ILE 3 HG12 ILE 3 0.245 -0.772 -3.268
19 HG13 ILE 3 HG13 ILE 3 1.809 -0.168 -3.799
20 HG21 ILE 3 HG21 ILE 3 -1.428 1.181 -4.805
21 HG22 ILE 3 HG22 ILE 3 -1.778 -0.544 -4.931
22 HG23 ILE 3 HG23 ILE 3 -1.502 0.410 -6.390
23 HD11 ILE 3 HD11 ILE 3 1.077 2.093 -3.567
24 HD12 ILE 3 HD12 ILE 3 0.724 1.226 -2.073
25 HD13 ILE 3 HD13 ILE 3 -0.569 1.573 -3.219
26 H ASN 4 H ASN 4 1.887 -0.490 -7.827
27 HA ASN 4 HA ASN 4 4.258 -2.063 -7.416
28 HB2 ASN 4 HB2 ASN 4 5.102 -0.704 -9.423
29 HB3 ASN 4 HB3 ASN 4 3.747 -1.789 -9.685
30 HD21 ASN 4 HD21 ASN 4 3.601 1.398 -8.159
31 HD22 ASN 4 HD22 ASN 4 2.621 2.124 -9.383
32 H VAL 5 H VAL 5 4.398 -1.038 -5.211
33 HA VAL 5 HA VAL 5 6.255 1.244 -5.349
34 HB VAL 5 HB VAL 5 4.194 0.817 -3.178
35 HG11 VAL 5 HG11 VAL 5 4.886 2.916 -2.281
36 HG12 VAL 5 HG12 VAL 5 5.988 3.186 -3.632
37 HG13 VAL 5 HG13 VAL 5 6.314 1.898 -2.472
38 HG21 VAL 5 HG21 VAL 5 3.013 2.726 -4.027
39 HG22 VAL 5 HG22 VAL 5 3.179 1.530 -5.315
40 HG23 VAL 5 HG23 VAL 5 4.219 2.955 -5.294
41 H LYS 6 H LYS 6 8.079 0.994 -4.138
42 HA LYS 6 HA LYS 6 8.596 -1.561 -2.926
43 HB2 LYS 6 HB2 LYS 6 10.248 0.970 -3.026
44 HB3 LYS 6 HB3 LYS 6 10.815 -0.566 -2.390
45 HG2 LYS 6 HG2 LYS 6 10.565 -1.591 -4.573
46 HG3 LYS 6 HG3 LYS 6 9.930 -0.083 -5.227
47 HD2 LYS 6 HD2 LYS 6 12.620 -0.142 -3.915
48 HD3 LYS 6 HD3 LYS 6 12.436 -0.692 -5.578
49 HE2 LYS 6 HE2 LYS 6 13.088 1.612 -5.613
50 HE3 LYS 6 HE3 LYS 6 11.409 1.505 -6.130
51 HZ1 LYS 6 HZ1 LYS 6 12.274 2.225 -3.385
52 HZ2 LYS 6 HZ2 LYS 6 10.694 2.266 -3.995
53 HZ3 LYS 6 HZ3 LYS 6 11.853 3.341 -4.581
54 H CYS 7 H CYS 7 7.835 -2.043 -0.971
55 HA CYS 7 HA CYS 7 6.929 -0.011 0.817
56 HB2 CYS 7 HB2 CYS 7 5.874 -2.278 0.642
57 HB3 CYS 7 HB3 CYS 7 7.285 -2.932 1.475
58 H LYS 8 H LYS 8 8.509 1.250 1.730
59 HA LYS 8 HA LYS 8 10.722 -0.026 3.107
60 HB2 LYS 8 HB2 LYS 8 9.826 2.863 2.962
61 HB3 LYS 8 HB3 LYS 8 11.255 2.310 3.822
62 HG2 LYS 8 HG2 LYS 8 12.272 1.580 1.768
63 HG3 LYS 8 HG3 LYS 8 10.806 1.965 0.866
64 HD2 LYS 8 HD2 LYS 8 12.471 3.713 0.566
65 HD3 LYS 8 HD3 LYS 8 11.079 4.335 1.451
66 HE2 LYS 8 HE2 LYS 8 13.131 5.149 2.444
67 HE3 LYS 8 HE3 LYS 8 12.312 4.055 3.556
68 HZ1 LYS 8 HZ1 LYS 8 14.616 3.346 1.819
69 HZ2 LYS 8 HZ2 LYS 8 13.836 2.303 2.899
70 HZ3 LYS 8 HZ3 LYS 8 14.688 3.637 3.484
71 H HIS 9 H HIS 9 7.614 1.404 3.696
72 HA HIS 9 HA HIS 9 7.504 0.300 6.380
73 HB2 HIS 9 HB2 HIS 9 6.915 3.241 5.910
74 HB3 HIS 9 HB3 HIS 9 6.843 2.384 7.443
75 HD1 HIS 9 HD1 HIS 9 9.165 4.111 5.144
76 HD2 HIS 9 HD2 HIS 9 9.386 1.800 8.589
77 HE1 HIS 9 HE1 HIS 9 11.533 4.296 5.920
78 HE2 HIS 9 HE2 HIS 9 11.689 2.756 7.907
79 H SER 10 H SER 10 5.343 -0.090 7.014
80 HA SER 10 HA SER 10 3.453 -0.389 4.954
81 HB2 SER 10 HB2 SER 10 1.842 -0.772 6.899
82 HB3 SER 10 HB3 SER 10 3.258 -1.820 6.842
83 HG SER 10 HG SER 10 2.900 -0.978 8.940
84 H GLY 11 H GLY 11 3.903 2.100 7.411
85 HA2 GLY 11 HA2 GLY 11 1.578 3.601 6.869
86 HA3 GLY 11 HA3 GLY 11 3.041 4.215 7.624
87 H GLN 12 H GLN 12 4.605 3.363 5.195
88 HA GLN 12 HA GLN 12 4.397 5.792 3.716
89 HB2 GLN 12 HB2 GLN 12 6.543 4.625 3.917
90 HB3 GLN 12 HB3 GLN 12 5.881 3.226 3.087
91 HG2 GLN 12 HG2 GLN 12 5.485 4.743 1.110
92 HG3 GLN 12 HG3 GLN 12 6.454 5.947 1.955
93 HE21 GLN 12 HE21 GLN 12 6.463 2.886 0.329
94 HE22 GLN 12 HE22 GLN 12 8.177 2.767 0.119
95 H CYS 13 H CYS 13 3.347 2.480 3.250
96 HA CYS 13 HA CYS 13 2.654 2.752 0.514
97 HB2 CYS 13 HB2 CYS 13 1.793 0.696 2.551
98 HB3 CYS 13 HB3 CYS 13 1.580 0.556 0.807
99 H LEU 14 H LEU 14 1.068 3.682 3.387
100 HA LEU 14 HA LEU 14 -1.619 3.553 2.515
101 HB2 LEU 14 HB2 LEU 14 -0.130 4.838 4.690
102 HB3 LEU 14 HB3 LEU 14 -1.567 5.701 4.205
103 HG LEU 14 HG LEU 14 -1.989 4.215 6.100
104 HD11 LEU 14 HD11 LEU 14 -3.300 3.495 3.505
105 HD12 LEU 14 HD12 LEU 14 -3.847 4.662 4.704
106 HD13 LEU 14 HD13 LEU 14 -3.885 2.937 5.069
107 HD21 LEU 14 HD21 LEU 14 -1.396 1.924 4.237
108 HD22 LEU 14 HD22 LEU 14 -1.827 1.842 5.947
109 HD23 LEU 14 HD23 LEU 14 -0.269 2.514 5.462
110 H LYS 15 H LYS 15 0.960 5.832 2.009
111 HA LYS 15 HA LYS 15 -0.570 8.086 1.352
112 HB2 LYS 15 HB2 LYS 15 2.226 7.426 0.422
113 HB3 LYS 15 HB3 LYS 15 1.484 9.016 0.428
114 HG2 LYS 15 HG2 LYS 15 1.365 8.973 2.855
115 HG3 LYS 15 HG3 LYS 15 2.059 7.350 2.869
116 HD2 LYS 15 HD2 LYS 15 4.090 8.239 1.791
117 HD3 LYS 15 HD3 LYS 15 3.396 9.860 1.864
118 HE2 LYS 15 HE2 LYS 15 3.280 9.668 4.317
119 HE3 LYS 15 HE3 LYS 15 4.044 8.085 4.213
120 HZ1 LYS 15 HZ1 LYS 15 5.647 9.795 4.746
121 HZ2 LYS 15 HZ2 LYS 15 5.250 10.655 3.345
122 HZ3 LYS 15 HZ3 LYS 15 5.985 9.139 3.225
123 HA PRO 16 HA PRO 16 -0.354 6.862 -3.246
124 HB2 PRO 16 HB2 PRO 16 0.673 4.505 -4.020
125 HB3 PRO 16 HB3 PRO 16 1.697 5.919 -3.745
126 HG2 PRO 16 HG2 PRO 16 1.200 3.566 -1.968
127 HG3 PRO 16 HG3 PRO 16 2.719 4.414 -2.302
128 HD2 PRO 16 HD2 PRO 16 1.196 4.818 -0.062
129 HD3 PRO 16 HD3 PRO 16 2.300 6.021 -0.746
130 H CYS 17 H CYS 17 -1.160 4.594 -0.797
131 HA CYS 17 HA CYS 17 -2.733 2.819 -2.369
132 HB2 CYS 17 HB2 CYS 17 -1.667 2.355 -0.095
133 HB3 CYS 17 HB3 CYS 17 -3.022 3.237 0.601
134 H LYS 18 H LYS 18 -3.402 5.792 -0.628
135 HA LYS 18 HA LYS 18 -6.214 5.595 -0.656
136 HB2 LYS 18 HB2 LYS 18 -6.229 7.985 -0.258
137 HB3 LYS 18 HB3 LYS 18 -4.986 7.230 0.722
138 HG2 LYS 18 HG2 LYS 18 -3.260 8.050 -0.667
139 HG3 LYS 18 HG3 LYS 18 -4.410 8.547 -1.913
140 HD2 LYS 18 HD2 LYS 18 -5.355 10.201 -0.355
141 HD3 LYS 18 HD3 LYS 18 -4.185 9.708 0.869
142 HE2 LYS 18 HE2 LYS 18 -3.455 10.827 -1.833
143 HE3 LYS 18 HE3 LYS 18 -3.574 11.788 -0.360
144 HZ1 LYS 18 HZ1 LYS 18 -1.710 9.519 -0.813
145 HZ2 LYS 18 HZ2 LYS 18 -1.835 10.415 0.617
146 HZ3 LYS 18 HZ3 LYS 18 -1.298 11.161 -0.802
147 H LYS 19 H LYS 19 -3.907 6.316 -3.129
148 HA LYS 19 HA LYS 19 -5.934 7.408 -4.916
149 HB2 LYS 19 HB2 LYS 19 -2.987 6.875 -5.322
150 HB3 LYS 19 HB3 LYS 19 -4.050 7.543 -6.553
151 HG2 LYS 19 HG2 LYS 19 -4.530 9.442 -5.025
152 HG3 LYS 19 HG3 LYS 19 -3.323 8.794 -3.914
153 HD2 LYS 19 HD2 LYS 19 -2.356 10.549 -5.286
154 HD3 LYS 19 HD3 LYS 19 -1.617 8.994 -5.668
155 HE2 LYS 19 HE2 LYS 19 -2.091 10.279 -7.693
156 HE3 LYS 19 HE3 LYS 19 -3.028 8.790 -7.645
157 HZ1 LYS 19 HZ1 LYS 19 -4.034 11.499 -6.950
158 HZ2 LYS 19 HZ2 LYS 19 -4.941 10.072 -6.889
159 HZ3 LYS 19 HZ3 LYS 19 -4.374 10.649 -8.371
160 H ALA 20 H ALA 20 -4.675 4.466 -3.975
161 HA ALA 20 HA ALA 20 -5.166 3.065 -6.468
162 HB1 ALA 20 HB1 ALA 20 -4.444 2.060 -3.714
163 HB2 ALA 20 HB2 ALA 20 -3.338 2.315 -5.066
164 HB3 ALA 20 HB3 ALA 20 -4.568 1.055 -5.161
165 H GLY 21 H GLY 21 -6.952 4.197 -3.890
166 HA2 GLY 21 HA2 GLY 21 -9.207 4.045 -3.463
167 HA3 GLY 21 HA3 GLY 21 -9.345 2.924 -4.810
168 H MET 22 H MET 22 -7.051 2.321 -2.277
169 HA MET 22 HA MET 22 -8.689 0.006 -1.526
170 HB2 MET 22 HB2 MET 22 -5.706 0.423 -1.343
171 HB3 MET 22 HB3 MET 22 -6.547 -0.970 -0.682
172 HG2 MET 22 HG2 MET 22 -6.490 -0.164 -3.579
173 HG3 MET 22 HG3 MET 22 -5.560 -1.468 -2.844
174 HE1 MET 22 HE1 MET 22 -7.500 -1.773 -5.410
175 HE2 MET 22 HE2 MET 22 -8.248 -3.326 -5.042
176 HE3 MET 22 HE3 MET 22 -6.526 -3.088 -4.751
177 H ARG 23 H ARG 23 -7.882 -0.793 0.796
178 HA ARG 23 HA ARG 23 -8.975 1.278 2.499
179 HB2 ARG 23 HB2 ARG 23 -9.728 -1.131 2.481
180 HB3 ARG 23 HB3 ARG 23 -8.204 -1.540 3.240
181 HG2 ARG 23 HG2 ARG 23 -8.810 -0.679 5.246
182 HG3 ARG 23 HG3 ARG 23 -9.869 0.537 4.529
183 HD2 ARG 23 HD2 ARG 23 -10.948 -1.426 5.798
184 HD3 ARG 23 HD3 ARG 23 -11.614 -0.976 4.233
185 HE ARG 23 HE ARG 23 -10.273 -2.867 3.316
186 HH11 ARG 23 HH11 ARG 23 -11.156 -2.857 6.710
187 HH12 ARG 23 HH12 ARG 23 -11.172 -4.588 6.831
188 HH21 ARG 23 HH21 ARG 23 -10.306 -5.124 3.481
189 HH22 ARG 23 HH22 ARG 23 -10.691 -5.876 4.997
190 H PHE 24 H PHE 24 -6.338 -1.034 3.203
191 HA PHE 24 HA PHE 24 -4.722 1.245 4.127
192 HB2 PHE 24 HB2 PHE 24 -3.989 -1.237 5.440
193 HB3 PHE 24 HB3 PHE 24 -4.338 0.332 6.148
194 HD1 PHE 24 HD1 PHE 24 -5.777 -2.831 5.021
195 HD2 PHE 24 HD2 PHE 24 -6.422 0.738 7.224
196 HE1 PHE 24 HE1 PHE 24 -7.820 -3.792 5.946
197 HE2 PHE 24 HE2 PHE 24 -8.477 -0.223 8.181
198 HZ PHE 24 HZ PHE 24 -9.178 -2.498 7.551
199 H GLY 25 H GLY 25 -2.368 0.269 4.517
200 HA2 GLY 25 HA2 GLY 25 -1.662 -1.358 2.172
201 HA3 GLY 25 HA3 GLY 25 -0.779 0.110 2.564
202 H LYS 26 H LYS 26 -0.887 -3.193 2.938
203 HA LYS 26 HA LYS 26 0.559 -3.262 5.471
204 HB2 LYS 26 HB2 LYS 26 -1.217 -4.967 4.840
205 HB3 LYS 26 HB3 LYS 26 -0.099 -5.548 3.618
206 HG2 LYS 26 HG2 LYS 26 1.522 -6.098 5.366
207 HG3 LYS 26 HG3 LYS 26 0.366 -5.560 6.585
208 HD2 LYS 26 HD2 LYS 26 -1.217 -7.265 5.844
209 HD3 LYS 26 HD3 LYS 26 -0.080 -7.793 4.605
210 HE2 LYS 26 HE2 LYS 26 1.524 -8.415 6.340
211 HE3 LYS 26 HE3 LYS 26 0.397 -7.872 7.581
212 HZ1 LYS 26 HZ1 LYS 26 0.320 -10.269 7.280
213 HZ2 LYS 26 HZ2 LYS 26 -0.102 -10.075 5.654
214 HZ3 LYS 26 HZ3 LYS 26 -1.161 -9.563 6.870
215 H CYS 27 H CYS 27 2.670 -4.296 5.574
216 HA CYS 27 HA CYS 27 4.215 -3.543 3.214
217 HB2 CYS 27 HB2 CYS 27 4.753 -2.772 5.651
218 HB3 CYS 27 HB3 CYS 27 5.499 -4.365 5.785
219 H ILE 28 H ILE 28 4.338 -5.139 1.810
220 HA ILE 28 HA ILE 28 5.057 -7.807 2.734
221 HB ILE 28 HB ILE 28 3.618 -6.717 0.370
222 HG12 ILE 28 HG12 ILE 28 2.252 -8.694 0.644
223 HG13 ILE 28 HG13 ILE 28 3.402 -9.381 1.785
224 HG21 ILE 28 HG21 ILE 28 5.534 -8.990 0.212
225 HG22 ILE 28 HG22 ILE 28 5.322 -7.644 -0.904
226 HG23 ILE 28 HG23 ILE 28 4.115 -8.929 -0.832
227 HD11 ILE 28 HD11 ILE 28 2.894 -7.382 3.252
228 HD12 ILE 28 HD12 ILE 28 1.620 -8.584 3.069
229 HD13 ILE 28 HD13 ILE 28 1.540 -7.070 2.175
230 H ASN 29 H ASN 29 6.853 -8.829 1.645
231 HA ASN 29 HA ASN 29 9.200 -7.465 1.775
232 HB2 ASN 29 HB2 ASN 29 8.585 -9.835 0.011
233 HB3 ASN 29 HB3 ASN 29 10.198 -9.303 0.466
234 HD21 ASN 29 HD21 ASN 29 8.688 -11.794 0.957
235 HD22 ASN 29 HD22 ASN 29 8.742 -12.028 2.666
236 H GLY 30 H GLY 30 9.074 -5.471 0.780
237 HA2 GLY 30 HA2 GLY 30 10.030 -4.162 -0.896
238 HA3 GLY 30 HA3 GLY 30 9.977 -5.542 -1.977
239 H LYS 31 H LYS 31 6.935 -5.521 -0.792
240 HA LYS 31 HA LYS 31 6.062 -3.715 -2.956
241 HB2 LYS 31 HB2 LYS 31 4.978 -6.442 -2.274
242 HB3 LYS 31 HB3 LYS 31 4.127 -5.294 -3.290
243 HG2 LYS 31 HG2 LYS 31 6.027 -5.306 -4.851
244 HG3 LYS 31 HG3 LYS 31 6.819 -6.517 -3.845
245 HD2 LYS 31 HD2 LYS 31 5.708 -7.586 -5.719
246 HD3 LYS 31 HD3 LYS 31 4.921 -8.039 -4.210
247 HE2 LYS 31 HE2 LYS 31 3.243 -7.580 -5.881
248 HE3 LYS 31 HE3 LYS 31 3.183 -6.334 -4.638
249 HZ1 LYS 31 HZ1 LYS 31 4.410 -6.092 -7.331
250 HZ2 LYS 31 HZ2 LYS 31 4.507 -4.905 -6.133
251 HZ3 LYS 31 HZ3 LYS 31 3.007 -5.325 -6.787
252 H CYS 32 H CYS 32 4.555 -2.302 -2.503
253 HA CYS 32 HA CYS 32 3.362 -2.169 0.106
254 HB2 CYS 32 HB2 CYS 32 3.220 -0.532 -2.403
255 HB3 CYS 32 HB3 CYS 32 2.085 -0.220 -1.101
256 H ASP 33 H ASP 33 2.118 -3.997 0.342
257 HA ASP 33 HA ASP 33 0.125 -4.600 -1.701
258 HB2 ASP 33 HB2 ASP 33 1.315 -6.485 -0.854
259 HB3 ASP 33 HB3 ASP 33 0.918 -6.068 0.807
260 H CYS 34 H CYS 34 -1.619 -3.485 -1.642
261 HA CYS 34 HA CYS 34 -2.612 -2.301 0.787
262 HB2 CYS 34 HB2 CYS 34 -3.507 -2.197 -2.070
263 HB3 CYS 34 HB3 CYS 34 -4.467 -1.500 -0.779
264 H THR 35 H THR 35 -4.586 -2.635 1.723
265 HA THR 35 HA THR 35 -5.749 -5.278 1.306
266 HB THR 35 HB THR 35 -6.490 -3.173 3.335
267 HG1 THR 35 HG1 THR 35 -4.371 -4.956 3.215
268 HG21 THR 35 HG21 THR 35 -8.204 -4.870 2.978
269 HG22 THR 35 HG22 THR 35 -7.446 -5.070 4.564
270 HG23 THR 35 HG23 THR 35 -7.006 -6.145 3.237
271 HA PRO 36 HA PRO 36 -8.941 -3.276 -1.091
272 HB2 PRO 36 HB2 PRO 36 -10.393 -5.751 -1.208
273 HB3 PRO 36 HB3 PRO 36 -9.450 -4.965 -2.473
274 HG2 PRO 36 HG2 PRO 36 -8.765 -7.336 -1.230
275 HG3 PRO 36 HG3 PRO 36 -7.642 -6.280 -2.097
276 HD2 PRO 36 HD2 PRO 36 -8.082 -6.588 0.829
277 HD3 PRO 36 HD3 PRO 36 -6.592 -6.221 -0.065
278 H LYS 37 H LYS 37 -11.512 -3.733 -1.075
279 HA LYS 37 HA LYS 37 -12.309 -2.885 1.581
280 HB2 LYS 37 HB2 LYS 37 -13.970 -3.022 -0.943
281 HB3 LYS 37 HB3 LYS 37 -14.374 -2.164 0.536
282 HG2 LYS 37 HG2 LYS 37 -12.054 -1.507 -1.270
283 HG3 LYS 37 HG3 LYS 37 -13.607 -0.671 -1.257
284 HD2 LYS 37 HD2 LYS 37 -13.234 0.017 1.048
285 HD3 LYS 37 HD3 LYS 37 -11.704 -0.861 1.079
286 HE2 LYS 37 HE2 LYS 37 -11.308 1.506 0.728
287 HE3 LYS 37 HE3 LYS 37 -10.848 0.590 -0.704
288 HZ1 LYS 37 HZ1 LYS 37 -13.390 2.086 -0.364
289 HZ2 LYS 37 HZ2 LYS 37 -12.927 1.230 -1.746
290 HZ3 LYS 37 HZ3 LYS 37 -12.061 2.600 -1.273
Start of MODEL 3
1 H1 VAL 1 H1 VAL 1 -4.408 -7.780 -6.692
2 H2 VAL 1 H2 VAL 1 -5.997 -7.711 -6.125
3 H3 VAL 1 H3 VAL 1 -4.746 -8.173 -5.085
4 HA VAL 1 HA VAL 1 -5.033 -5.513 -6.334
5 HB VAL 1 HB VAL 1 -5.509 -4.692 -4.068
6 HG11 VAL 1 HG11 VAL 1 -7.805 -5.414 -3.975
7 HG12 VAL 1 HG12 VAL 1 -7.433 -6.851 -4.924
8 HG13 VAL 1 HG13 VAL 1 -7.323 -5.252 -5.660
9 HG21 VAL 1 HG21 VAL 1 -4.406 -6.562 -2.881
10 HG22 VAL 1 HG22 VAL 1 -5.766 -7.598 -3.309
11 HG23 VAL 1 HG23 VAL 1 -6.015 -6.197 -2.265
12 H GLY 2 H GLY 2 -3.567 -3.914 -5.335
13 HA2 GLY 2 HA2 GLY 2 -1.506 -4.036 -3.718
14 HA3 GLY 2 HA3 GLY 2 -0.931 -5.136 -4.965
15 H ILE 3 H ILE 3 0.419 -2.771 -4.295
16 HA ILE 3 HA ILE 3 0.002 -1.198 -6.738
17 HB ILE 3 HB ILE 3 0.801 0.809 -5.477
18 HG12 ILE 3 HG12 ILE 3 0.335 -0.983 -3.083
19 HG13 ILE 3 HG13 ILE 3 1.881 -0.324 -3.603
20 HG21 ILE 3 HG21 ILE 3 -1.356 1.247 -4.382
21 HG22 ILE 3 HG22 ILE 3 -1.760 -0.464 -4.523
22 HG23 ILE 3 HG23 ILE 3 -1.549 0.515 -5.975
23 HD11 ILE 3 HD11 ILE 3 1.064 1.933 -3.143
24 HD12 ILE 3 HD12 ILE 3 1.010 0.905 -1.711
25 HD13 ILE 3 HD13 ILE 3 -0.472 1.260 -2.600
26 H ASN 4 H ASN 4 1.872 -0.201 -7.604
27 HA ASN 4 HA ASN 4 4.179 -1.928 -7.441
28 HB2 ASN 4 HB2 ASN 4 5.056 -0.408 -9.274
29 HB3 ASN 4 HB3 ASN 4 3.565 -1.269 -9.640
30 HD21 ASN 4 HD21 ASN 4 4.836 1.835 -8.537
31 HD22 ASN 4 HD22 ASN 4 3.543 2.789 -9.187
32 H VAL 5 H VAL 5 3.884 -0.612 -5.046
33 HA VAL 5 HA VAL 5 5.968 1.464 -5.110
34 HB VAL 5 HB VAL 5 3.859 1.010 -2.991
35 HG11 VAL 5 HG11 VAL 5 4.557 3.301 -2.271
36 HG12 VAL 5 HG12 VAL 5 5.933 3.159 -3.358
37 HG13 VAL 5 HG13 VAL 5 5.760 2.043 -2.003
38 HG21 VAL 5 HG21 VAL 5 2.797 3.029 -3.867
39 HG22 VAL 5 HG22 VAL 5 2.866 1.760 -5.090
40 HG23 VAL 5 HG23 VAL 5 4.001 3.108 -5.154
41 H LYS 6 H LYS 6 7.643 1.373 -3.579
42 HA LYS 6 HA LYS 6 8.381 -1.333 -2.908
43 HB2 LYS 6 HB2 LYS 6 9.841 1.286 -2.565
44 HB3 LYS 6 HB3 LYS 6 10.524 -0.285 -2.178
45 HG2 LYS 6 HG2 LYS 6 9.562 0.534 -4.903
46 HG3 LYS 6 HG3 LYS 6 11.239 0.605 -4.370
47 HD2 LYS 6 HD2 LYS 6 9.524 -1.869 -4.605
48 HD3 LYS 6 HD3 LYS 6 10.846 -1.407 -5.675
49 HE2 LYS 6 HE2 LYS 6 11.051 -2.149 -2.758
50 HE3 LYS 6 HE3 LYS 6 11.601 -3.103 -4.132
51 HZ1 LYS 6 HZ1 LYS 6 12.688 -0.473 -3.286
52 HZ2 LYS 6 HZ2 LYS 6 13.189 -1.334 -4.648
53 HZ3 LYS 6 HZ3 LYS 6 13.447 -1.975 -3.106
54 H CYS 7 H CYS 7 8.596 -2.216 -0.973
55 HA CYS 7 HA CYS 7 7.159 -1.115 1.236
56 HB2 CYS 7 HB2 CYS 7 7.089 -3.482 0.935
57 HB3 CYS 7 HB3 CYS 7 8.842 -3.598 0.897
58 H LYS 8 H LYS 8 8.454 0.880 1.403
59 HA LYS 8 HA LYS 8 10.965 0.571 2.821
60 HB2 LYS 8 HB2 LYS 8 9.393 3.067 2.135
61 HB3 LYS 8 HB3 LYS 8 11.033 3.020 2.772
62 HG2 LYS 8 HG2 LYS 8 11.847 1.987 0.765
63 HG3 LYS 8 HG3 LYS 8 10.208 1.824 0.137
64 HD2 LYS 8 HD2 LYS 8 10.000 4.277 0.096
65 HD3 LYS 8 HD3 LYS 8 11.661 4.415 0.676
66 HE2 LYS 8 HE2 LYS 8 12.472 3.294 -1.318
67 HE3 LYS 8 HE3 LYS 8 10.821 3.062 -1.883
68 HZ1 LYS 8 HZ1 LYS 8 10.587 5.489 -1.979
69 HZ2 LYS 8 HZ2 LYS 8 11.811 4.923 -2.997
70 HZ3 LYS 8 HZ3 LYS 8 12.210 5.660 -1.529
71 H HIS 9 H HIS 9 7.673 1.773 3.362
72 HA HIS 9 HA HIS 9 7.851 1.170 6.199
73 HB2 HIS 9 HB2 HIS 9 7.105 3.971 5.303
74 HB3 HIS 9 HB3 HIS 9 7.223 3.388 6.957
75 HD1 HIS 9 HD1 HIS 9 9.308 4.463 4.048
76 HD2 HIS 9 HD2 HIS 9 9.814 3.370 8.023
77 HE1 HIS 9 HE1 HIS 9 11.716 4.878 4.546
78 HE2 HIS 9 HE2 HIS 9 12.004 4.276 6.984
79 H SER 10 H SER 10 5.825 0.756 7.071
80 HA SER 10 HA SER 10 3.742 0.143 5.266
81 HB2 SER 10 HB2 SER 10 2.424 -0.171 7.459
82 HB3 SER 10 HB3 SER 10 3.842 -1.185 7.203
83 HG SER 10 HG SER 10 4.157 -0.421 9.195
84 H GLY 11 H GLY 11 4.287 2.856 7.465
85 HA2 GLY 11 HA2 GLY 11 1.781 4.127 6.984
86 HA3 GLY 11 HA3 GLY 11 3.213 4.886 7.668
87 H GLN 12 H GLN 12 4.658 3.853 5.178
88 HA GLN 12 HA GLN 12 4.226 6.190 3.551
89 HB2 GLN 12 HB2 GLN 12 6.494 5.352 3.905
90 HB3 GLN 12 HB3 GLN 12 6.060 3.802 3.207
91 HG2 GLN 12 HG2 GLN 12 5.698 6.209 1.519
92 HG3 GLN 12 HG3 GLN 12 7.346 5.681 1.850
93 HE21 GLN 12 HE21 GLN 12 8.030 3.670 1.086
94 HE22 GLN 12 HE22 GLN 12 7.186 2.827 -0.167
95 H CYS 13 H CYS 13 3.634 2.725 3.371
96 HA CYS 13 HA CYS 13 2.847 2.589 0.679
97 HB2 CYS 13 HB2 CYS 13 2.101 0.834 3.025
98 HB3 CYS 13 HB3 CYS 13 1.770 0.438 1.346
99 H LEU 14 H LEU 14 1.168 3.679 3.493
100 HA LEU 14 HA LEU 14 -1.486 3.262 2.630
101 HB2 LEU 14 HB2 LEU 14 -0.132 4.686 4.783
102 HB3 LEU 14 HB3 LEU 14 -1.590 5.489 4.259
103 HG LEU 14 HG LEU 14 -1.969 3.997 6.174
104 HD11 LEU 14 HD11 LEU 14 -3.260 3.242 3.578
105 HD12 LEU 14 HD12 LEU 14 -3.820 4.436 4.747
106 HD13 LEU 14 HD13 LEU 14 -3.852 2.719 5.152
107 HD21 LEU 14 HD21 LEU 14 -1.305 1.746 4.281
108 HD22 LEU 14 HD22 LEU 14 -1.798 1.612 5.969
109 HD23 LEU 14 HD23 LEU 14 -0.234 2.318 5.561
110 H LYS 15 H LYS 15 0.825 5.811 2.045
111 HA LYS 15 HA LYS 15 -1.016 7.827 1.349
112 HB2 LYS 15 HB2 LYS 15 1.892 7.581 0.579
113 HB3 LYS 15 HB3 LYS 15 0.918 9.040 0.465
114 HG2 LYS 15 HG2 LYS 15 0.606 9.013 2.896
115 HG3 LYS 15 HG3 LYS 15 1.618 7.571 2.998
116 HD2 LYS 15 HD2 LYS 15 3.498 8.820 2.067
117 HD3 LYS 15 HD3 LYS 15 2.486 10.260 1.942
118 HE2 LYS 15 HE2 LYS 15 3.829 10.447 3.919
119 HE3 LYS 15 HE3 LYS 15 2.156 10.173 4.403
120 HZ1 LYS 15 HZ1 LYS 15 2.703 7.822 4.733
121 HZ2 LYS 15 HZ2 LYS 15 3.635 8.830 5.717
122 HZ3 LYS 15 HZ3 LYS 15 4.317 8.140 4.333
123 HA PRO 16 HA PRO 16 -0.432 6.683 -3.231
124 HB2 PRO 16 HB2 PRO 16 0.858 4.439 -3.962
125 HB3 PRO 16 HB3 PRO 16 1.712 5.958 -3.666
126 HG2 PRO 16 HG2 PRO 16 1.426 3.569 -1.894
127 HG3 PRO 16 HG3 PRO 16 2.845 4.592 -2.179
128 HD2 PRO 16 HD2 PRO 16 1.199 4.806 0.008
129 HD3 PRO 16 HD3 PRO 16 2.185 6.132 -0.632
130 H CYS 17 H CYS 17 -1.089 4.322 -0.823
131 HA CYS 17 HA CYS 17 -2.511 2.471 -2.464
132 HB2 CYS 17 HB2 CYS 17 -1.443 1.874 -0.296
133 HB3 CYS 17 HB3 CYS 17 -2.670 2.829 0.530
134 H LYS 18 H LYS 18 -3.446 5.189 -0.403
135 HA LYS 18 HA LYS 18 -6.240 4.844 -0.632
136 HB2 LYS 18 HB2 LYS 18 -6.389 7.177 0.093
137 HB3 LYS 18 HB3 LYS 18 -5.213 6.302 1.062
138 HG2 LYS 18 HG2 LYS 18 -3.400 7.312 -0.060
139 HG3 LYS 18 HG3 LYS 18 -4.453 7.969 -1.314
140 HD2 LYS 18 HD2 LYS 18 -5.527 9.401 0.383
141 HD3 LYS 18 HD3 LYS 18 -4.408 8.771 1.596
142 HE2 LYS 18 HE2 LYS 18 -2.529 9.691 0.435
143 HE3 LYS 18 HE3 LYS 18 -3.537 10.152 -0.935
144 HZ1 LYS 18 HZ1 LYS 18 -3.072 12.057 0.429
145 HZ2 LYS 18 HZ2 LYS 18 -3.673 11.281 1.805
146 HZ3 LYS 18 HZ3 LYS 18 -4.719 11.685 0.541
147 H LYS 19 H LYS 19 -3.846 5.977 -2.804
148 HA LYS 19 HA LYS 19 -5.653 7.503 -4.478
149 HB2 LYS 19 HB2 LYS 19 -2.808 6.597 -4.987
150 HB3 LYS 19 HB3 LYS 19 -3.705 7.758 -5.956
151 HG2 LYS 19 HG2 LYS 19 -3.747 9.326 -4.142
152 HG3 LYS 19 HG3 LYS 19 -3.024 8.146 -3.049
153 HD2 LYS 19 HD2 LYS 19 -1.327 9.695 -3.766
154 HD3 LYS 19 HD3 LYS 19 -1.006 8.120 -4.490
155 HE2 LYS 19 HE2 LYS 19 -2.064 8.891 -6.576
156 HE3 LYS 19 HE3 LYS 19 -2.314 10.476 -5.845
157 HZ1 LYS 19 HZ1 LYS 19 0.107 10.645 -5.573
158 HZ2 LYS 19 HZ2 LYS 19 -0.346 10.505 -7.193
159 HZ3 LYS 19 HZ3 LYS 19 0.298 9.172 -6.380
160 H ALA 20 H ALA 20 -4.692 4.313 -4.018
161 HA ALA 20 HA ALA 20 -5.333 3.383 -6.693
162 HB1 ALA 20 HB1 ALA 20 -4.628 1.910 -4.151
163 HB2 ALA 20 HB2 ALA 20 -3.547 2.270 -5.502
164 HB3 ALA 20 HB3 ALA 20 -4.887 1.143 -5.722
165 H GLY 21 H GLY 21 -6.991 4.223 -3.915
166 HA2 GLY 21 HA2 GLY 21 -9.273 4.138 -3.518
167 HA3 GLY 21 HA3 GLY 21 -9.444 3.051 -4.891
168 H MET 22 H MET 22 -7.062 2.332 -2.497
169 HA MET 22 HA MET 22 -8.739 0.101 -1.602
170 HB2 MET 22 HB2 MET 22 -5.734 0.425 -1.444
171 HB3 MET 22 HB3 MET 22 -6.638 -0.954 -0.846
172 HG2 MET 22 HG2 MET 22 -6.426 -0.057 -3.702
173 HG3 MET 22 HG3 MET 22 -5.680 -1.476 -2.972
174 HE1 MET 22 HE1 MET 22 -8.517 -2.795 -5.445
175 HE2 MET 22 HE2 MET 22 -6.784 -2.798 -5.123
176 HE3 MET 22 HE3 MET 22 -7.584 -1.312 -5.633
177 H ARG 23 H ARG 23 -7.875 -0.598 0.770
178 HA ARG 23 HA ARG 23 -8.803 1.690 2.320
179 HB2 ARG 23 HB2 ARG 23 -9.869 -0.578 2.479
180 HB3 ARG 23 HB3 ARG 23 -8.401 -1.149 3.251
181 HG2 ARG 23 HG2 ARG 23 -8.847 -0.106 5.202
182 HG3 ARG 23 HG3 ARG 23 -9.681 1.237 4.419
183 HD2 ARG 23 HD2 ARG 23 -11.057 -0.450 5.815
184 HD3 ARG 23 HD3 ARG 23 -11.679 0.070 4.252
185 HE ARG 23 HE ARG 23 -10.484 -2.104 3.475
186 HH11 ARG 23 HH11 ARG 23 -12.205 -1.671 6.497
187 HH12 ARG 23 HH12 ARG 23 -12.755 -3.315 6.557
188 HH21 ARG 23 HH21 ARG 23 -11.237 -4.248 3.533
189 HH22 ARG 23 HH22 ARG 23 -12.213 -4.779 4.869
190 H PHE 24 H PHE 24 -6.412 -0.859 3.066
191 HA PHE 24 HA PHE 24 -4.566 1.266 3.922
192 HB2 PHE 24 HB2 PHE 24 -4.048 -1.298 5.209
193 HB3 PHE 24 HB3 PHE 24 -4.171 0.303 5.926
194 HD1 PHE 24 HD1 PHE 24 -5.994 -2.676 4.914
195 HD2 PHE 24 HD2 PHE 24 -6.181 0.991 7.036
196 HE1 PHE 24 HE1 PHE 24 -8.120 -3.376 5.890
197 HE2 PHE 24 HE2 PHE 24 -8.313 0.294 8.051
198 HZ PHE 24 HZ PHE 24 -9.289 -1.894 7.476
199 H GLY 25 H GLY 25 -2.283 0.292 4.072
200 HA2 GLY 25 HA2 GLY 25 -1.792 -1.673 1.966
201 HA3 GLY 25 HA3 GLY 25 -1.006 -0.104 1.861
202 H LYS 26 H LYS 26 -0.795 -3.233 3.068
203 HA LYS 26 HA LYS 26 0.960 -2.546 5.275
204 HB2 LYS 26 HB2 LYS 26 1.034 -4.929 5.736
205 HB3 LYS 26 HB3 LYS 26 -0.631 -4.411 5.532
206 HG2 LYS 26 HG2 LYS 26 -0.614 -5.299 3.245
207 HG3 LYS 26 HG3 LYS 26 1.046 -5.848 3.486
208 HD2 LYS 26 HD2 LYS 26 -1.335 -6.735 5.117
209 HD3 LYS 26 HD3 LYS 26 -0.611 -7.653 3.796
210 HE2 LYS 26 HE2 LYS 26 1.479 -7.815 5.022
211 HE3 LYS 26 HE3 LYS 26 0.825 -6.817 6.317
212 HZ1 LYS 26 HZ1 LYS 26 -0.797 -8.531 6.789
213 HZ2 LYS 26 HZ2 LYS 26 0.763 -9.175 6.866
214 HZ3 LYS 26 HZ3 LYS 26 -0.212 -9.482 5.521
215 H CYS 27 H CYS 27 3.108 -3.395 5.425
216 HA CYS 27 HA CYS 27 4.507 -2.967 2.929
217 HB2 CYS 27 HB2 CYS 27 5.051 -2.214 5.470
218 HB3 CYS 27 HB3 CYS 27 6.004 -3.692 5.388
219 H ILE 28 H ILE 28 4.738 -4.650 1.600
220 HA ILE 28 HA ILE 28 4.844 -7.339 2.768
221 HB ILE 28 HB ILE 28 2.979 -6.407 1.075
222 HG12 ILE 28 HG12 ILE 28 2.471 -8.748 0.498
223 HG13 ILE 28 HG13 ILE 28 4.060 -9.231 1.074
224 HG21 ILE 28 HG21 ILE 28 5.032 -7.654 -0.739
225 HG22 ILE 28 HG22 ILE 28 4.523 -5.964 -0.740
226 HG23 ILE 28 HG23 ILE 28 3.380 -7.231 -1.187
227 HD11 ILE 28 HD11 ILE 28 2.041 -7.850 2.816
228 HD12 ILE 28 HD12 ILE 28 3.510 -8.697 3.309
229 HD13 ILE 28 HD13 ILE 28 2.146 -9.605 2.656
230 H ASN 29 H ASN 29 5.917 -8.912 1.033
231 HA ASN 29 HA ASN 29 8.618 -8.577 1.092
232 HB2 ASN 29 HB2 ASN 29 7.125 -10.048 -1.089
233 HB3 ASN 29 HB3 ASN 29 8.788 -10.328 -0.587
234 HD21 ASN 29 HD21 ASN 29 5.457 -10.860 0.105
235 HD22 ASN 29 HD22 ASN 29 5.685 -11.961 1.420
236 H GLY 30 H GLY 30 9.203 -6.493 0.542
237 HA2 GLY 30 HA2 GLY 30 10.378 -5.137 -0.911
238 HA3 GLY 30 HA3 GLY 30 9.906 -6.189 -2.232
239 H LYS 31 H LYS 31 6.988 -5.710 -1.093
240 HA LYS 31 HA LYS 31 6.655 -3.244 -2.684
241 HB2 LYS 31 HB2 LYS 31 5.108 -5.827 -2.919
242 HB3 LYS 31 HB3 LYS 31 4.575 -4.312 -3.634
243 HG2 LYS 31 HG2 LYS 31 7.201 -5.643 -4.256
244 HG3 LYS 31 HG3 LYS 31 5.733 -5.833 -5.214
245 HD2 LYS 31 HD2 LYS 31 5.700 -3.470 -5.713
246 HD3 LYS 31 HD3 LYS 31 7.076 -3.191 -4.644
247 HE2 LYS 31 HE2 LYS 31 7.774 -3.225 -6.977
248 HE3 LYS 31 HE3 LYS 31 8.479 -4.571 -6.086
249 HZ1 LYS 31 HZ1 LYS 31 6.810 -6.030 -7.020
250 HZ2 LYS 31 HZ2 LYS 31 7.652 -5.250 -8.257
251 HZ3 LYS 31 HZ3 LYS 31 6.095 -4.741 -7.847
252 H CYS 32 H CYS 32 4.235 -2.531 -2.513
253 HA CYS 32 HA CYS 32 3.427 -2.742 0.302
254 HB2 CYS 32 HB2 CYS 32 2.793 -0.618 -1.760
255 HB3 CYS 32 HB3 CYS 32 2.118 -0.662 -0.138
256 H ASP 33 H ASP 33 1.846 -4.121 0.656
257 HA ASP 33 HA ASP 33 0.072 -4.874 -1.559
258 HB2 ASP 33 HB2 ASP 33 1.376 -6.622 -0.272
259 HB3 ASP 33 HB3 ASP 33 0.380 -6.223 1.120
260 H CYS 34 H CYS 34 -1.892 -4.020 -1.611
261 HA CYS 34 HA CYS 34 -2.832 -2.557 0.713
262 HB2 CYS 34 HB2 CYS 34 -3.687 -2.557 -2.161
263 HB3 CYS 34 HB3 CYS 34 -4.603 -1.736 -0.912
264 H THR 35 H THR 35 -4.836 -2.731 1.607
265 HA THR 35 HA THR 35 -6.193 -5.308 1.209
266 HB THR 35 HB THR 35 -6.577 -3.246 3.372
267 HG1 THR 35 HG1 THR 35 -4.704 -5.259 3.042
268 HG21 THR 35 HG21 THR 35 -8.510 -4.700 3.054
269 HG22 THR 35 HG22 THR 35 -7.704 -5.036 4.589
270 HG23 THR 35 HG23 THR 35 -7.474 -6.120 3.217
271 HA PRO 36 HA PRO 36 -9.234 -2.915 -1.028
272 HB2 PRO 36 HB2 PRO 36 -10.925 -5.258 -1.124
273 HB3 PRO 36 HB3 PRO 36 -10.012 -4.498 -2.424
274 HG2 PRO 36 HG2 PRO 36 -9.424 -6.954 -1.348
275 HG3 PRO 36 HG3 PRO 36 -8.256 -5.921 -2.183
276 HD2 PRO 36 HD2 PRO 36 -8.644 -6.371 0.736
277 HD3 PRO 36 HD3 PRO 36 -7.152 -6.084 -0.181
278 H LYS 37 H LYS 37 -11.090 -1.867 -0.545
279 HA LYS 37 HA LYS 37 -12.243 -2.341 2.082
280 HB2 LYS 37 HB2 LYS 37 -13.508 -0.188 1.545
281 HB3 LYS 37 HB3 LYS 37 -11.769 -0.059 1.751
282 HG2 LYS 37 HG2 LYS 37 -11.464 0.008 -0.658
283 HG3 LYS 37 HG3 LYS 37 -13.203 -0.184 -0.892
284 HD2 LYS 37 HD2 LYS 37 -13.586 1.930 0.285
285 HD3 LYS 37 HD3 LYS 37 -11.847 2.121 0.502
286 HE2 LYS 37 HE2 LYS 37 -12.686 3.457 -1.374
287 HE3 LYS 37 HE3 LYS 37 -11.537 2.230 -1.904
288 HZ1 LYS 37 HZ1 LYS 37 -14.494 2.004 -2.079
289 HZ2 LYS 37 HZ2 LYS 37 -13.380 0.853 -2.618
290 HZ3 LYS 37 HZ3 LYS 37 -13.458 2.363 -3.367
Start of MODEL 4
1 H1 VAL 1 H1 VAL 1 -2.648 -7.249 -1.708
2 H2 VAL 1 H2 VAL 1 -4.279 -7.426 -2.126
3 H3 VAL 1 H3 VAL 1 -3.680 -5.905 -1.691
4 HA VAL 1 HA VAL 1 -2.951 -7.464 -4.096
5 HB VAL 1 HB VAL 1 -3.940 -5.559 -5.330
6 HG11 VAL 1 HG11 VAL 1 -5.974 -6.767 -3.464
7 HG12 VAL 1 HG12 VAL 1 -5.214 -7.669 -4.776
8 HG13 VAL 1 HG13 VAL 1 -6.202 -6.255 -5.136
9 HG21 VAL 1 HG21 VAL 1 -3.708 -3.931 -3.502
10 HG22 VAL 1 HG22 VAL 1 -5.035 -4.726 -2.655
11 HG23 VAL 1 HG23 VAL 1 -5.321 -3.946 -4.212
12 H GLY 2 H GLY 2 -1.294 -6.642 -5.354
13 HA2 GLY 2 HA2 GLY 2 0.532 -4.916 -3.855
14 HA3 GLY 2 HA3 GLY 2 0.966 -5.964 -5.195
15 H ILE 3 H ILE 3 1.164 -2.964 -4.476
16 HA ILE 3 HA ILE 3 0.189 -1.946 -7.063
17 HB ILE 3 HB ILE 3 0.447 0.325 -6.030
18 HG12 ILE 3 HG12 ILE 3 0.683 -1.220 -3.441
19 HG13 ILE 3 HG13 ILE 3 2.041 -0.446 -4.251
20 HG21 ILE 3 HG21 ILE 3 -1.619 0.207 -4.724
21 HG22 ILE 3 HG22 ILE 3 -1.460 -1.548 -4.632
22 HG23 ILE 3 HG23 ILE 3 -1.733 -0.770 -6.191
23 HD11 ILE 3 HD11 ILE 3 1.199 1.694 -3.832
24 HD12 ILE 3 HD12 ILE 3 0.970 0.802 -2.331
25 HD13 ILE 3 HD13 ILE 3 -0.397 1.081 -3.411
26 H ASN 4 H ASN 4 1.648 0.152 -7.560
27 HA ASN 4 HA ASN 4 4.229 -0.963 -8.201
28 HB2 ASN 4 HB2 ASN 4 4.531 1.201 -9.452
29 HB3 ASN 4 HB3 ASN 4 3.136 0.249 -9.947
30 HD21 ASN 4 HD21 ASN 4 4.174 3.073 -8.139
31 HD22 ASN 4 HD22 ASN 4 2.648 3.889 -8.187
32 H VAL 5 H VAL 5 4.023 -0.618 -5.460
33 HA VAL 5 HA VAL 5 6.001 1.507 -4.977
34 HB VAL 5 HB VAL 5 3.700 0.785 -3.140
35 HG11 VAL 5 HG11 VAL 5 4.474 2.702 -1.783
36 HG12 VAL 5 HG12 VAL 5 5.903 2.816 -2.811
37 HG13 VAL 5 HG13 VAL 5 5.636 1.375 -1.829
38 HG21 VAL 5 HG21 VAL 5 2.854 3.006 -3.583
39 HG22 VAL 5 HG22 VAL 5 3.021 2.113 -5.095
40 HG23 VAL 5 HG23 VAL 5 4.212 3.338 -4.658
41 H LYS 6 H LYS 6 7.552 1.016 -3.359
42 HA LYS 6 HA LYS 6 7.881 -1.873 -2.973
43 HB2 LYS 6 HB2 LYS 6 9.914 0.358 -2.777
44 HB3 LYS 6 HB3 LYS 6 10.257 -1.362 -2.644
45 HG2 LYS 6 HG2 LYS 6 9.549 -1.700 -4.947
46 HG3 LYS 6 HG3 LYS 6 9.156 0.014 -5.088
47 HD2 LYS 6 HD2 LYS 6 11.295 -0.345 -6.097
48 HD3 LYS 6 HD3 LYS 6 11.545 0.528 -4.586
49 HE2 LYS 6 HE2 LYS 6 12.119 -1.593 -3.483
50 HE3 LYS 6 HE3 LYS 6 11.907 -2.433 -5.016
51 HZ1 LYS 6 HZ1 LYS 6 13.700 -1.135 -5.950
52 HZ2 LYS 6 HZ2 LYS 6 14.231 -1.941 -4.563
53 HZ3 LYS 6 HZ3 LYS 6 13.887 -0.289 -4.498
54 H CYS 7 H CYS 7 8.810 -2.625 -0.961
55 HA CYS 7 HA CYS 7 7.369 -1.511 1.263
56 HB2 CYS 7 HB2 CYS 7 7.518 -3.932 0.954
57 HB3 CYS 7 HB3 CYS 7 9.267 -3.861 1.117
58 H LYS 8 H LYS 8 8.548 0.560 1.238
59 HA LYS 8 HA LYS 8 11.173 0.472 2.468
60 HB2 LYS 8 HB2 LYS 8 9.423 2.824 1.720
61 HB3 LYS 8 HB3 LYS 8 11.080 2.929 2.300
62 HG2 LYS 8 HG2 LYS 8 11.856 1.718 0.332
63 HG3 LYS 8 HG3 LYS 8 10.196 1.590 -0.249
64 HD2 LYS 8 HD2 LYS 8 10.066 4.050 -0.338
65 HD3 LYS 8 HD3 LYS 8 11.751 4.141 0.179
66 HE2 LYS 8 HE2 LYS 8 10.763 2.789 -2.328
67 HE3 LYS 8 HE3 LYS 8 11.494 4.389 -2.258
68 HZ1 LYS 8 HZ1 LYS 8 13.530 3.397 -1.451
69 HZ2 LYS 8 HZ2 LYS 8 13.082 2.683 -2.916
70 HZ3 LYS 8 HZ3 LYS 8 12.829 1.860 -1.464
71 H HIS 9 H HIS 9 7.925 1.718 3.219
72 HA HIS 9 HA HIS 9 8.373 1.226 6.056
73 HB2 HIS 9 HB2 HIS 9 7.391 3.944 5.174
74 HB3 HIS 9 HB3 HIS 9 7.885 3.447 6.783
75 HD1 HIS 9 HD1 HIS 9 9.208 4.657 3.526
76 HD2 HIS 9 HD2 HIS 9 10.686 3.443 7.218
77 HE1 HIS 9 HE1 HIS 9 11.653 5.181 3.471
78 HE2 HIS 9 HE2 HIS 9 12.546 4.418 5.703
79 H SER 10 H SER 10 6.498 0.707 7.099
80 HA SER 10 HA SER 10 4.351 -0.179 5.509
81 HB2 SER 10 HB2 SER 10 3.266 -0.698 7.705
82 HB3 SER 10 HB3 SER 10 4.899 -1.342 7.544
83 HG SER 10 HG SER 10 3.914 0.398 9.361
84 H GLY 11 H GLY 11 4.714 2.664 7.588
85 HA2 GLY 11 HA2 GLY 11 1.986 3.494 7.273
86 HA3 GLY 11 HA3 GLY 11 3.298 4.462 7.928
87 H GLN 12 H GLN 12 4.819 3.761 5.379
88 HA GLN 12 HA GLN 12 4.182 6.140 3.952
89 HB2 GLN 12 HB2 GLN 12 6.454 5.141 4.103
90 HB3 GLN 12 HB3 GLN 12 5.908 3.798 3.115
91 HG2 GLN 12 HG2 GLN 12 5.364 5.528 1.345
92 HG3 GLN 12 HG3 GLN 12 6.282 6.667 2.333
93 HE21 GLN 12 HE21 GLN 12 6.420 3.869 0.314
94 HE22 GLN 12 HE22 GLN 12 8.137 3.836 0.119
95 H CYS 13 H CYS 13 3.206 2.848 3.770
96 HA CYS 13 HA CYS 13 2.381 2.896 1.027
97 HB2 CYS 13 HB2 CYS 13 2.406 0.947 3.246
98 HB3 CYS 13 HB3 CYS 13 1.165 0.712 2.021
99 H LEU 14 H LEU 14 1.011 4.100 3.843
100 HA LEU 14 HA LEU 14 -1.686 3.405 3.581
101 HB2 LEU 14 HB2 LEU 14 -0.385 5.857 4.746
102 HB3 LEU 14 HB3 LEU 14 -2.094 5.513 4.886
103 HG LEU 14 HG LEU 14 0.156 3.844 6.013
104 HD11 LEU 14 HD11 LEU 14 -1.925 5.556 7.357
105 HD12 LEU 14 HD12 LEU 14 -0.202 5.908 7.237
106 HD13 LEU 14 HD13 LEU 14 -0.756 4.524 8.179
107 HD21 LEU 14 HD21 LEU 14 -1.645 2.396 5.343
108 HD22 LEU 14 HD22 LEU 14 -2.829 3.446 6.122
109 HD23 LEU 14 HD23 LEU 14 -1.658 2.559 7.099
110 H LYS 15 H LYS 15 0.062 6.215 2.345
111 HA LYS 15 HA LYS 15 -2.209 7.480 1.249
112 HB2 LYS 15 HB2 LYS 15 0.657 7.907 0.440
113 HB3 LYS 15 HB3 LYS 15 -0.679 9.027 0.222
114 HG2 LYS 15 HG2 LYS 15 -0.893 9.104 2.720
115 HG3 LYS 15 HG3 LYS 15 0.616 8.193 2.802
116 HD2 LYS 15 HD2 LYS 15 1.688 9.994 1.447
117 HD3 LYS 15 HD3 LYS 15 0.193 10.920 1.590
118 HE2 LYS 15 HE2 LYS 15 2.014 10.033 3.820
119 HE3 LYS 15 HE3 LYS 15 1.744 11.681 3.260
120 HZ1 LYS 15 HZ1 LYS 15 0.511 11.247 5.275
121 HZ2 LYS 15 HZ2 LYS 15 -0.269 9.930 4.562
122 HZ3 LYS 15 HZ3 LYS 15 -0.562 11.495 3.992
123 HA PRO 16 HA PRO 16 -0.636 6.115 -3.119
124 HB2 PRO 16 HB2 PRO 16 0.860 3.819 -3.240
125 HB3 PRO 16 HB3 PRO 16 1.536 5.450 -3.236
126 HG2 PRO 16 HG2 PRO 16 1.266 3.502 -0.990
127 HG3 PRO 16 HG3 PRO 16 2.604 4.602 -1.370
128 HD2 PRO 16 HD2 PRO 16 0.814 5.146 0.573
129 HD3 PRO 16 HD3 PRO 16 1.556 6.419 -0.415
130 H CYS 17 H CYS 17 -1.370 3.707 -0.677
131 HA CYS 17 HA CYS 17 -2.770 1.965 -2.451
132 HB2 CYS 17 HB2 CYS 17 -2.643 2.222 0.549
133 HB3 CYS 17 HB3 CYS 17 -3.596 1.005 -0.269
134 H LYS 18 H LYS 18 -3.635 4.585 -0.249
135 HA LYS 18 HA LYS 18 -6.426 4.329 -0.452
136 HB2 LYS 18 HB2 LYS 18 -5.539 5.608 1.321
137 HB3 LYS 18 HB3 LYS 18 -4.556 6.581 0.236
138 HG2 LYS 18 HG2 LYS 18 -6.290 7.960 0.885
139 HG3 LYS 18 HG3 LYS 18 -6.726 7.414 -0.737
140 HD2 LYS 18 HD2 LYS 18 -8.230 5.751 0.209
141 HD3 LYS 18 HD3 LYS 18 -7.775 6.239 1.841
142 HE2 LYS 18 HE2 LYS 18 -9.167 7.946 -0.215
143 HE3 LYS 18 HE3 LYS 18 -9.907 7.224 1.212
144 HZ1 LYS 18 HZ1 LYS 18 -8.455 8.572 2.597
145 HZ2 LYS 18 HZ2 LYS 18 -9.376 9.547 1.569
146 HZ3 LYS 18 HZ3 LYS 18 -7.748 9.264 1.223
147 H LYS 19 H LYS 19 -4.007 5.973 -2.387
148 HA LYS 19 HA LYS 19 -5.902 7.464 -3.959
149 HB2 LYS 19 HB2 LYS 19 -2.985 6.873 -4.505
150 HB3 LYS 19 HB3 LYS 19 -3.961 8.096 -5.302
151 HG2 LYS 19 HG2 LYS 19 -3.290 8.069 -2.368
152 HG3 LYS 19 HG3 LYS 19 -2.453 9.022 -3.593
153 HD2 LYS 19 HD2 LYS 19 -4.464 10.267 -4.064
154 HD3 LYS 19 HD3 LYS 19 -5.400 9.235 -2.981
155 HE2 LYS 19 HE2 LYS 19 -4.834 11.386 -1.943
156 HE3 LYS 19 HE3 LYS 19 -4.121 10.026 -1.078
157 HZ1 LYS 19 HZ1 LYS 19 -2.719 11.832 -2.977
158 HZ2 LYS 19 HZ2 LYS 19 -2.024 10.481 -2.240
159 HZ3 LYS 19 HZ3 LYS 19 -2.523 11.789 -1.296
160 H ALA 20 H ALA 20 -5.034 4.326 -3.776
161 HA ALA 20 HA ALA 20 -5.268 3.732 -6.635
162 HB1 ALA 20 HB1 ALA 20 -4.454 2.041 -4.270
163 HB2 ALA 20 HB2 ALA 20 -3.415 2.660 -5.559
164 HB3 ALA 20 HB3 ALA 20 -4.620 1.423 -5.917
165 H GLY 21 H GLY 21 -7.337 4.331 -4.277
166 HA2 GLY 21 HA2 GLY 21 -9.608 3.900 -4.128
167 HA3 GLY 21 HA3 GLY 21 -9.433 2.711 -5.411
168 H MET 22 H MET 22 -7.416 2.642 -2.587
169 HA MET 22 HA MET 22 -8.879 0.274 -1.636
170 HB2 MET 22 HB2 MET 22 -5.869 0.607 -1.579
171 HB3 MET 22 HB3 MET 22 -6.789 -0.834 -1.182
172 HG2 MET 22 HG2 MET 22 -7.435 -1.174 -3.431
173 HG3 MET 22 HG3 MET 22 -6.845 0.416 -3.907
174 HE1 MET 22 HE1 MET 22 -5.528 -0.518 -5.939
175 HE2 MET 22 HE2 MET 22 -6.136 -2.134 -5.584
176 HE3 MET 22 HE3 MET 22 -4.412 -1.882 -5.859
177 H ARG 23 H ARG 23 -7.908 -0.251 0.748
178 HA ARG 23 HA ARG 23 -8.611 2.192 2.167
179 HB2 ARG 23 HB2 ARG 23 -9.680 -0.041 2.656
180 HB3 ARG 23 HB3 ARG 23 -8.155 -0.532 3.371
181 HG2 ARG 23 HG2 ARG 23 -8.898 0.285 5.277
182 HG3 ARG 23 HG3 ARG 23 -8.694 1.890 4.572
183 HD2 ARG 23 HD2 ARG 23 -10.915 1.636 5.475
184 HD3 ARG 23 HD3 ARG 23 -10.991 1.796 3.724
185 HE ARG 23 HE ARG 23 -11.007 -0.851 4.002
186 HH11 ARG 23 HH11 ARG 23 -12.809 1.619 5.712
187 HH12 ARG 23 HH12 ARG 23 -14.162 0.582 6.038
188 HH21 ARG 23 HH21 ARG 23 -12.772 -2.210 4.430
189 HH22 ARG 23 HH22 ARG 23 -14.143 -1.603 5.302
190 H PHE 24 H PHE 24 -6.345 -0.307 3.313
191 HA PHE 24 HA PHE 24 -4.442 1.865 3.904
192 HB2 PHE 24 HB2 PHE 24 -3.873 -0.644 5.268
193 HB3 PHE 24 HB3 PHE 24 -4.036 0.975 5.933
194 HD1 PHE 24 HD1 PHE 24 -5.812 -2.067 4.991
195 HD2 PHE 24 HD2 PHE 24 -6.041 1.637 7.046
196 HE1 PHE 24 HE1 PHE 24 -7.908 -2.790 6.010
197 HE2 PHE 24 HE2 PHE 24 -8.152 0.924 8.100
198 HZ PHE 24 HZ PHE 24 -9.092 -1.296 7.584
199 H GLY 25 H GLY 25 -2.139 0.734 4.239
200 HA2 GLY 25 HA2 GLY 25 -1.636 -1.121 2.033
201 HA3 GLY 25 HA3 GLY 25 -0.769 0.404 2.071
202 H LYS 26 H LYS 26 -0.620 -2.783 2.879
203 HA LYS 26 HA LYS 26 1.044 -2.432 5.251
204 HB2 LYS 26 HB2 LYS 26 -0.709 -4.280 5.007
205 HB3 LYS 26 HB3 LYS 26 0.395 -5.022 3.859
206 HG2 LYS 26 HG2 LYS 26 2.114 -5.150 5.594
207 HG3 LYS 26 HG3 LYS 26 0.993 -4.430 6.747
208 HD2 LYS 26 HD2 LYS 26 -0.554 -6.357 6.291
209 HD3 LYS 26 HD3 LYS 26 0.754 -7.096 5.368
210 HE2 LYS 26 HE2 LYS 26 0.867 -6.315 8.279
211 HE3 LYS 26 HE3 LYS 26 0.672 -7.953 7.659
212 HZ1 LYS 26 HZ1 LYS 26 3.028 -6.214 7.154
213 HZ2 LYS 26 HZ2 LYS 26 2.842 -7.817 6.652
214 HZ3 LYS 26 HZ3 LYS 26 2.969 -7.457 8.297
215 H CYS 27 H CYS 27 3.171 -3.349 5.327
216 HA CYS 27 HA CYS 27 4.607 -2.944 2.824
217 HB2 CYS 27 HB2 CYS 27 5.176 -2.104 5.315
218 HB3 CYS 27 HB3 CYS 27 6.031 -3.640 5.342
219 H ILE 28 H ILE 28 4.742 -4.714 1.548
220 HA ILE 28 HA ILE 28 4.697 -7.331 2.858
221 HB ILE 28 HB ILE 28 3.054 -6.392 0.909
222 HG12 ILE 28 HG12 ILE 28 2.402 -8.753 0.553
223 HG13 ILE 28 HG13 ILE 28 3.866 -9.262 1.387
224 HG21 ILE 28 HG21 ILE 28 5.072 -8.093 -0.540
225 HG22 ILE 28 HG22 ILE 28 4.845 -6.355 -0.762
226 HG23 ILE 28 HG23 ILE 28 3.551 -7.473 -1.192
227 HD11 ILE 28 HD11 ILE 28 1.708 -7.570 2.623
228 HD12 ILE 28 HD12 ILE 28 3.101 -8.283 3.437
229 HD13 ILE 28 HD13 ILE 28 1.833 -9.319 2.790
230 H ASN 29 H ASN 29 5.766 -9.025 1.197
231 HA ASN 29 HA ASN 29 8.482 -8.884 1.590
232 HB2 ASN 29 HB2 ASN 29 7.146 -10.370 -0.676
233 HB3 ASN 29 HB3 ASN 29 8.668 -10.776 0.109
234 HD21 ASN 29 HD21 ASN 29 6.073 -12.209 -0.239
235 HD22 ASN 29 HD22 ASN 29 5.630 -12.710 1.355
236 H GLY 30 H GLY 30 9.124 -6.751 0.939
237 HA2 GLY 30 HA2 GLY 30 10.502 -5.552 -0.495
238 HA3 GLY 30 HA3 GLY 30 10.150 -6.710 -1.766
239 H LYS 31 H LYS 31 7.149 -6.090 -0.874
240 HA LYS 31 HA LYS 31 6.964 -3.842 -2.782
241 HB2 LYS 31 HB2 LYS 31 5.425 -6.427 -2.740
242 HB3 LYS 31 HB3 LYS 31 4.760 -4.992 -3.498
243 HG2 LYS 31 HG2 LYS 31 5.747 -6.290 -5.209
244 HG3 LYS 31 HG3 LYS 31 6.803 -4.905 -4.941
245 HD2 LYS 31 HD2 LYS 31 8.311 -6.285 -3.626
246 HD3 LYS 31 HD3 LYS 31 7.234 -7.670 -3.813
247 HE2 LYS 31 HE2 LYS 31 8.607 -6.215 -6.068
248 HE3 LYS 31 HE3 LYS 31 9.161 -7.729 -5.356
249 HZ1 LYS 31 HZ1 LYS 31 7.151 -8.801 -6.078
250 HZ2 LYS 31 HZ2 LYS 31 7.879 -8.047 -7.407
251 HZ3 LYS 31 HZ3 LYS 31 6.528 -7.347 -6.675
252 H CYS 32 H CYS 32 4.477 -3.189 -2.838
253 HA CYS 32 HA CYS 32 3.670 -2.754 -0.047
254 HB2 CYS 32 HB2 CYS 32 4.289 -0.730 -1.386
255 HB3 CYS 32 HB3 CYS 32 2.959 -1.093 -2.484
256 H ASP 33 H ASP 33 2.075 -4.091 0.516
257 HA ASP 33 HA ASP 33 0.091 -4.876 -1.506
258 HB2 ASP 33 HB2 ASP 33 1.155 -6.759 -0.457
259 HB3 ASP 33 HB3 ASP 33 0.792 -6.140 1.148
260 H CYS 34 H CYS 34 -1.695 -3.816 -1.508
261 HA CYS 34 HA CYS 34 -2.443 -2.218 0.816
262 HB2 CYS 34 HB2 CYS 34 -3.691 -2.212 -1.927
263 HB3 CYS 34 HB3 CYS 34 -3.836 -0.975 -0.684
264 H THR 35 H THR 35 -4.552 -2.218 1.703
265 HA THR 35 HA THR 35 -5.929 -4.788 1.420
266 HB THR 35 HB THR 35 -6.447 -2.569 3.396
267 HG1 THR 35 HG1 THR 35 -4.475 -4.508 3.311
268 HG21 THR 35 HG21 THR 35 -8.315 -4.092 3.154
269 HG22 THR 35 HG22 THR 35 -7.521 -4.359 4.709
270 HG23 THR 35 HG23 THR 35 -7.243 -5.480 3.376
271 HA PRO 36 HA PRO 36 -8.859 -2.325 -0.977
272 HB2 PRO 36 HB2 PRO 36 -9.904 -4.337 -2.386
273 HB3 PRO 36 HB3 PRO 36 -8.300 -3.705 -2.753
274 HG2 PRO 36 HG2 PRO 36 -9.069 -6.183 -1.276
275 HG3 PRO 36 HG3 PRO 36 -7.746 -5.929 -2.427
276 HD2 PRO 36 HD2 PRO 36 -7.481 -5.919 0.334
277 HD3 PRO 36 HD3 PRO 36 -6.337 -5.178 -0.802
278 H LYS 37 H LYS 37 -11.098 -2.047 -0.816
279 HA LYS 37 HA LYS 37 -12.357 -3.482 1.374
280 HB2 LYS 37 HB2 LYS 37 -14.207 -1.796 1.057
281 HB3 LYS 37 HB3 LYS 37 -12.656 -1.136 1.543
282 HG2 LYS 37 HG2 LYS 37 -12.228 -0.359 -0.694
283 HG3 LYS 37 HG3 LYS 37 -13.688 -1.153 -1.286
284 HD2 LYS 37 HD2 LYS 37 -13.653 1.042 0.784
285 HD3 LYS 37 HD3 LYS 37 -13.951 1.296 -0.937
286 HE2 LYS 37 HE2 LYS 37 -15.906 -0.156 -0.819
287 HE3 LYS 37 HE3 LYS 37 -15.603 -0.444 0.891
288 HZ1 LYS 37 HZ1 LYS 37 -15.929 1.933 1.284
289 HZ2 LYS 37 HZ2 LYS 37 -17.300 1.213 0.610
290 HZ3 LYS 37 HZ3 LYS 37 -16.285 2.158 -0.354
Start of MODEL 5
1 H1 VAL 1 H1 VAL 1 -3.813 -7.065 -6.373
2 H2 VAL 1 H2 VAL 1 -5.183 -7.849 -5.777
3 H3 VAL 1 H3 VAL 1 -3.741 -7.882 -4.896
4 HA VAL 1 HA VAL 1 -5.294 -5.447 -5.494
5 HB VAL 1 HB VAL 1 -5.837 -5.447 -3.067
6 HG11 VAL 1 HG11 VAL 1 -7.653 -7.037 -3.250
7 HG12 VAL 1 HG12 VAL 1 -6.851 -7.841 -4.594
8 HG13 VAL 1 HG13 VAL 1 -7.440 -6.189 -4.779
9 HG21 VAL 1 HG21 VAL 1 -4.014 -7.002 -2.418
10 HG22 VAL 1 HG22 VAL 1 -4.931 -8.320 -3.146
11 HG23 VAL 1 HG23 VAL 1 -5.589 -7.444 -1.763
12 H GLY 2 H GLY 2 -2.429 -5.945 -5.865
13 HA2 GLY 2 HA2 GLY 2 -1.278 -4.430 -3.625
14 HA3 GLY 2 HA3 GLY 2 -0.368 -5.387 -4.784
15 H ILE 3 H ILE 3 0.624 -2.985 -4.385
16 HA ILE 3 HA ILE 3 -0.190 -1.495 -6.783
17 HB ILE 3 HB ILE 3 0.563 0.593 -5.627
18 HG12 ILE 3 HG12 ILE 3 0.476 -1.184 -3.178
19 HG13 ILE 3 HG13 ILE 3 1.909 -0.419 -3.857
20 HG21 ILE 3 HG21 ILE 3 -1.503 0.827 -4.268
21 HG22 ILE 3 HG22 ILE 3 -1.791 -0.899 -4.488
22 HG23 ILE 3 HG23 ILE 3 -1.778 0.179 -5.884
23 HD11 ILE 3 HD11 ILE 3 0.984 1.775 -3.339
24 HD12 ILE 3 HD12 ILE 3 1.109 0.769 -1.897
25 HD13 ILE 3 HD13 ILE 3 -0.456 1.011 -2.671
26 H ASN 4 H ASN 4 1.522 -0.158 -7.671
27 HA ASN 4 HA ASN 4 3.922 -1.721 -7.972
28 HB2 ASN 4 HB2 ASN 4 4.457 0.084 -9.683
29 HB3 ASN 4 HB3 ASN 4 2.989 -0.845 -9.976
30 HD21 ASN 4 HD21 ASN 4 4.263 2.235 -8.907
31 HD22 ASN 4 HD22 ASN 4 2.797 3.127 -9.127
32 H VAL 5 H VAL 5 3.853 -0.728 -5.402
33 HA VAL 5 HA VAL 5 5.967 1.328 -5.431
34 HB VAL 5 HB VAL 5 3.851 1.057 -3.291
35 HG11 VAL 5 HG11 VAL 5 4.634 3.297 -2.630
36 HG12 VAL 5 HG12 VAL 5 5.893 3.198 -3.859
37 HG13 VAL 5 HG13 VAL 5 5.893 2.070 -2.504
38 HG21 VAL 5 HG21 VAL 5 2.752 2.993 -4.208
39 HG22 VAL 5 HG22 VAL 5 2.841 1.735 -5.439
40 HG23 VAL 5 HG23 VAL 5 3.948 3.108 -5.499
41 H LYS 6 H LYS 6 7.671 0.999 -4.010
42 HA LYS 6 HA LYS 6 7.768 -1.653 -2.826
43 HB2 LYS 6 HB2 LYS 6 10.092 -1.463 -2.721
44 HB3 LYS 6 HB3 LYS 6 9.675 -0.650 -4.219
45 HG2 LYS 6 HG2 LYS 6 9.988 1.498 -3.220
46 HG3 LYS 6 HG3 LYS 6 10.183 0.777 -1.620
47 HD2 LYS 6 HD2 LYS 6 12.188 -0.430 -2.489
48 HD3 LYS 6 HD3 LYS 6 12.026 0.484 -3.989
49 HE2 LYS 6 HE2 LYS 6 12.300 2.570 -2.756
50 HE3 LYS 6 HE3 LYS 6 12.425 1.670 -1.246
51 HZ1 LYS 6 HZ1 LYS 6 14.433 0.625 -2.064
52 HZ2 LYS 6 HZ2 LYS 6 14.594 2.308 -2.103
53 HZ3 LYS 6 HZ3 LYS 6 14.306 1.455 -3.533
54 H CYS 7 H CYS 7 7.893 -2.054 -0.689
55 HA CYS 7 HA CYS 7 6.817 -0.092 1.067
56 HB2 CYS 7 HB2 CYS 7 6.223 -2.383 1.446
57 HB3 CYS 7 HB3 CYS 7 7.915 -2.853 1.593
58 H LYS 8 H LYS 8 8.068 1.593 1.776
59 HA LYS 8 HA LYS 8 10.837 1.067 2.501
60 HB2 LYS 8 HB2 LYS 8 9.206 3.611 2.519
61 HB3 LYS 8 HB3 LYS 8 10.891 3.514 3.008
62 HG2 LYS 8 HG2 LYS 8 11.421 2.666 0.714
63 HG3 LYS 8 HG3 LYS 8 9.749 3.020 0.268
64 HD2 LYS 8 HD2 LYS 8 10.096 5.370 0.885
65 HD3 LYS 8 HD3 LYS 8 11.766 5.005 1.308
66 HE2 LYS 8 HE2 LYS 8 12.203 4.335 -1.002
67 HE3 LYS 8 HE3 LYS 8 10.532 4.704 -1.424
68 HZ1 LYS 8 HZ1 LYS 8 12.524 6.657 -0.410
69 HZ2 LYS 8 HZ2 LYS 8 10.926 7.008 -0.838
70 HZ3 LYS 8 HZ3 LYS 8 12.026 6.508 -2.019
71 H HIS 9 H HIS 9 7.708 1.652 3.883
72 HA HIS 9 HA HIS 9 8.639 0.876 6.516
73 HB2 HIS 9 HB2 HIS 9 7.147 3.487 6.130
74 HB3 HIS 9 HB3 HIS 9 7.682 2.805 7.656
75 HD1 HIS 9 HD1 HIS 9 8.817 4.803 4.768
76 HD2 HIS 9 HD2 HIS 9 10.480 3.047 8.146
77 HE1 HIS 9 HE1 HIS 9 11.148 5.689 4.896
78 HE2 HIS 9 HE2 HIS 9 12.042 4.824 7.094
79 H SER 10 H SER 10 6.969 -0.039 7.726
80 HA SER 10 HA SER 10 4.731 -0.918 6.176
81 HB2 SER 10 HB2 SER 10 4.134 -2.088 8.372
82 HB3 SER 10 HB3 SER 10 5.659 -2.529 7.603
83 HG SER 10 HG SER 10 6.386 -2.128 9.552
84 H GLY 11 H GLY 11 3.841 1.151 5.759
85 HA2 GLY 11 HA2 GLY 11 1.517 1.835 6.908
86 HA3 GLY 11 HA3 GLY 11 2.680 2.671 7.933
87 H GLN 12 H GLN 12 4.553 3.035 5.702
88 HA GLN 12 HA GLN 12 3.725 5.549 4.748
89 HB2 GLN 12 HB2 GLN 12 6.115 4.500 4.858
90 HB3 GLN 12 HB3 GLN 12 5.713 3.837 3.289
91 HG2 GLN 12 HG2 GLN 12 5.300 6.077 2.436
92 HG3 GLN 12 HG3 GLN 12 5.751 6.752 4.002
93 HE21 GLN 12 HE21 GLN 12 6.867 5.247 1.097
94 HE22 GLN 12 HE22 GLN 12 8.548 5.540 1.351
95 H CYS 13 H CYS 13 3.281 2.326 3.615
96 HA CYS 13 HA CYS 13 2.732 2.799 0.905
97 HB2 CYS 13 HB2 CYS 13 1.737 0.584 2.704
98 HB3 CYS 13 HB3 CYS 13 1.704 0.568 0.944
99 H LEU 14 H LEU 14 0.959 3.724 3.609
100 HA LEU 14 HA LEU 14 -1.688 3.397 2.664
101 HB2 LEU 14 HB2 LEU 14 -0.356 4.897 4.809
102 HB3 LEU 14 HB3 LEU 14 -1.839 5.618 4.236
103 HG LEU 14 HG LEU 14 -2.159 4.178 6.216
104 HD11 LEU 14 HD11 LEU 14 -3.442 3.342 3.643
105 HD12 LEU 14 HD12 LEU 14 -4.035 4.521 4.811
106 HD13 LEU 14 HD13 LEU 14 -4.003 2.804 5.224
107 HD21 LEU 14 HD21 LEU 14 -1.440 1.893 4.384
108 HD22 LEU 14 HD22 LEU 14 -1.934 1.790 6.075
109 HD23 LEU 14 HD23 LEU 14 -0.387 2.525 5.650
110 H LYS 15 H LYS 15 0.747 5.883 2.196
111 HA LYS 15 HA LYS 15 -0.923 7.905 1.207
112 HB2 LYS 15 HB2 LYS 15 1.992 7.383 0.633
113 HB3 LYS 15 HB3 LYS 15 1.139 8.850 0.181
114 HG2 LYS 15 HG2 LYS 15 0.673 9.272 2.565
115 HG3 LYS 15 HG3 LYS 15 1.619 7.837 2.975
116 HD2 LYS 15 HD2 LYS 15 3.597 8.815 1.983
117 HD3 LYS 15 HD3 LYS 15 2.669 10.217 1.448
118 HE2 LYS 15 HE2 LYS 15 2.191 10.770 3.793
119 HE3 LYS 15 HE3 LYS 15 3.167 9.394 4.305
120 HZ1 LYS 15 HZ1 LYS 15 5.081 10.417 3.220
121 HZ2 LYS 15 HZ2 LYS 15 4.440 11.420 4.416
122 HZ3 LYS 15 HZ3 LYS 15 4.139 11.755 2.788
123 HA PRO 16 HA PRO 16 -0.180 6.342 -3.249
124 HB2 PRO 16 HB2 PRO 16 0.927 3.901 -3.652
125 HB3 PRO 16 HB3 PRO 16 1.877 5.385 -3.565
126 HG2 PRO 16 HG2 PRO 16 1.450 3.281 -1.496
127 HG3 PRO 16 HG3 PRO 16 2.913 4.203 -1.875
128 HD2 PRO 16 HD2 PRO 16 1.257 4.758 0.236
129 HD3 PRO 16 HD3 PRO 16 2.290 5.959 -0.556
130 H CYS 17 H CYS 17 -1.031 4.106 -0.720
131 HA CYS 17 HA CYS 17 -2.558 2.343 -2.360
132 HB2 CYS 17 HB2 CYS 17 -1.518 1.735 -0.154
133 HB3 CYS 17 HB3 CYS 17 -2.777 2.689 0.627
134 H LYS 18 H LYS 18 -3.363 5.095 -0.267
135 HA LYS 18 HA LYS 18 -6.165 4.836 -0.633
136 HB2 LYS 18 HB2 LYS 18 -6.337 7.023 0.347
137 HB3 LYS 18 HB3 LYS 18 -5.115 6.115 1.220
138 HG2 LYS 18 HG2 LYS 18 -3.359 7.299 0.095
139 HG3 LYS 18 HG3 LYS 18 -4.531 8.127 -0.933
140 HD2 LYS 18 HD2 LYS 18 -5.527 9.121 1.128
141 HD3 LYS 18 HD3 LYS 18 -4.226 8.383 2.061
142 HE2 LYS 18 HE2 LYS 18 -3.605 10.638 1.661
143 HE3 LYS 18 HE3 LYS 18 -2.609 9.630 0.612
144 HZ1 LYS 18 HZ1 LYS 18 -3.394 11.494 -0.628
145 HZ2 LYS 18 HZ2 LYS 18 -4.996 11.202 -0.174
146 HZ3 LYS 18 HZ3 LYS 18 -4.202 10.120 -1.200
147 H LYS 19 H LYS 19 -3.610 6.068 -2.561
148 HA LYS 19 HA LYS 19 -5.386 7.545 -4.333
149 HB2 LYS 19 HB2 LYS 19 -2.416 6.991 -4.445
150 HB3 LYS 19 HB3 LYS 19 -3.287 7.855 -5.702
151 HG2 LYS 19 HG2 LYS 19 -4.007 9.468 -3.874
152 HG3 LYS 19 HG3 LYS 19 -2.773 8.699 -2.872
153 HD2 LYS 19 HD2 LYS 19 -2.246 9.922 -5.577
154 HD3 LYS 19 HD3 LYS 19 -2.007 10.764 -4.049
155 HE2 LYS 19 HE2 LYS 19 -0.655 8.165 -4.748
156 HE3 LYS 19 HE3 LYS 19 0.058 9.748 -5.056
157 HZ1 LYS 19 HZ1 LYS 19 -0.723 8.686 -2.393
158 HZ2 LYS 19 HZ2 LYS 19 -0.063 10.214 -2.685
159 HZ3 LYS 19 HZ3 LYS 19 0.855 8.830 -2.985
160 H ALA 20 H ALA 20 -4.695 4.453 -3.730
161 HA ALA 20 HA ALA 20 -4.850 3.538 -6.511
162 HB1 ALA 20 HB1 ALA 20 -4.427 2.014 -3.936
163 HB2 ALA 20 HB2 ALA 20 -3.190 2.432 -5.129
164 HB3 ALA 20 HB3 ALA 20 -4.470 1.291 -5.548
165 H GLY 21 H GLY 21 -6.771 4.173 -3.797
166 HA2 GLY 21 HA2 GLY 21 -9.127 4.153 -3.813
167 HA3 GLY 21 HA3 GLY 21 -9.083 2.965 -5.109
168 H MET 22 H MET 22 -6.896 2.158 -2.702
169 HA MET 22 HA MET 22 -8.723 0.090 -1.740
170 HB2 MET 22 HB2 MET 22 -5.716 0.306 -1.587
171 HB3 MET 22 HB3 MET 22 -6.645 -0.987 -0.857
172 HG2 MET 22 HG2 MET 22 -6.527 -0.340 -3.787
173 HG3 MET 22 HG3 MET 22 -5.714 -1.677 -2.975
174 HE1 MET 22 HE1 MET 22 -6.783 -3.332 -4.783
175 HE2 MET 22 HE2 MET 22 -7.613 -1.975 -5.543
176 HE3 MET 22 HE3 MET 22 -8.513 -3.427 -5.110
177 H ARG 23 H ARG 23 -7.932 -0.612 0.681
178 HA ARG 23 HA ARG 23 -8.813 1.727 2.167
179 HB2 ARG 23 HB2 ARG 23 -9.917 -0.509 2.414
180 HB3 ARG 23 HB3 ARG 23 -8.444 -1.096 3.169
181 HG2 ARG 23 HG2 ARG 23 -8.798 0.069 5.092
182 HG3 ARG 23 HG3 ARG 23 -9.728 1.331 4.288
183 HD2 ARG 23 HD2 ARG 23 -11.083 -0.144 5.769
184 HD3 ARG 23 HD3 ARG 23 -11.637 -0.103 4.098
185 HE ARG 23 HE ARG 23 -9.960 -2.260 4.232
186 HH11 ARG 23 HH11 ARG 23 -12.843 -1.257 5.947
187 HH12 ARG 23 HH12 ARG 23 -13.384 -2.877 6.246
188 HH21 ARG 23 HH21 ARG 23 -10.663 -4.391 4.634
189 HH22 ARG 23 HH22 ARG 23 -12.132 -4.662 5.513
190 H PHE 24 H PHE 24 -6.450 -0.822 3.017
191 HA PHE 24 HA PHE 24 -4.607 1.332 3.807
192 HB2 PHE 24 HB2 PHE 24 -4.077 -1.172 5.185
193 HB3 PHE 24 HB3 PHE 24 -4.232 0.448 5.840
194 HD1 PHE 24 HD1 PHE 24 -6.045 -2.547 4.852
195 HD2 PHE 24 HD2 PHE 24 -6.220 1.105 6.987
196 HE1 PHE 24 HE1 PHE 24 -8.147 -3.265 5.840
197 HE2 PHE 24 HE2 PHE 24 -8.346 0.399 8.019
198 HZ PHE 24 HZ PHE 24 -9.313 -1.797 7.452
199 H GLY 25 H GLY 25 -2.332 0.513 3.913
200 HA2 GLY 25 HA2 GLY 25 -1.792 -1.518 1.867
201 HA3 GLY 25 HA3 GLY 25 -0.984 0.043 1.814
202 H LYS 26 H LYS 26 -0.833 -3.099 2.948
203 HA LYS 26 HA LYS 26 0.831 -2.482 5.259
204 HB2 LYS 26 HB2 LYS 26 0.786 -4.883 5.693
205 HB3 LYS 26 HB3 LYS 26 -0.841 -4.270 5.454
206 HG2 LYS 26 HG2 LYS 26 -0.935 -5.186 3.248
207 HG3 LYS 26 HG3 LYS 26 0.764 -5.650 3.322
208 HD2 LYS 26 HD2 LYS 26 -0.556 -7.610 3.690
209 HD3 LYS 26 HD3 LYS 26 0.196 -7.167 5.219
210 HE2 LYS 26 HE2 LYS 26 -2.576 -6.246 4.551
211 HE3 LYS 26 HE3 LYS 26 -2.297 -7.864 5.186
212 HZ1 LYS 26 HZ1 LYS 26 -1.203 -6.836 7.115
213 HZ2 LYS 26 HZ2 LYS 26 -2.818 -6.368 6.967
214 HZ3 LYS 26 HZ3 LYS 26 -1.592 -5.304 6.515
215 H CYS 27 H CYS 27 2.846 -3.830 5.492
216 HA CYS 27 HA CYS 27 4.478 -3.385 3.147
217 HB2 CYS 27 HB2 CYS 27 5.169 -2.830 5.540
218 HB3 CYS 27 HB3 CYS 27 5.368 -4.563 5.777
219 H ILE 28 H ILE 28 4.885 -4.889 1.695
220 HA ILE 28 HA ILE 28 4.624 -7.703 2.482
221 HB ILE 28 HB ILE 28 3.053 -6.385 0.651
222 HG12 ILE 28 HG12 ILE 28 2.279 -8.623 0.002
223 HG13 ILE 28 HG13 ILE 28 3.712 -9.330 0.745
224 HG21 ILE 28 HG21 ILE 28 5.075 -7.969 -0.919
225 HG22 ILE 28 HG22 ILE 28 4.877 -6.214 -0.957
226 HG23 ILE 28 HG23 ILE 28 3.587 -7.258 -1.553
227 HD11 ILE 28 HD11 ILE 28 1.640 -7.722 2.220
228 HD12 ILE 28 HD12 ILE 28 2.993 -8.613 2.919
229 HD13 ILE 28 HD13 ILE 28 1.676 -9.482 2.136
230 H ASN 29 H ASN 29 5.790 -9.064 0.615
231 HA ASN 29 HA ASN 29 8.492 -8.916 1.019
232 HB2 ASN 29 HB2 ASN 29 7.265 -9.955 -1.535
233 HB3 ASN 29 HB3 ASN 29 8.751 -10.493 -0.763
234 HD21 ASN 29 HD21 ASN 29 7.583 -10.454 1.912
235 HD22 ASN 29 HD22 ASN 29 6.528 -11.821 1.988
236 H GLY 30 H GLY 30 9.160 -6.753 0.821
237 HA2 GLY 30 HA2 GLY 30 10.435 -5.193 -0.297
238 HA3 GLY 30 HA3 GLY 30 10.193 -6.104 -1.775
239 H LYS 31 H LYS 31 7.122 -5.797 -0.951
240 HA LYS 31 HA LYS 31 6.936 -3.235 -2.401
241 HB2 LYS 31 HB2 LYS 31 5.323 -5.735 -2.909
242 HB3 LYS 31 HB3 LYS 31 5.024 -4.178 -3.666
243 HG2 LYS 31 HG2 LYS 31 7.505 -5.856 -3.967
244 HG3 LYS 31 HG3 LYS 31 6.234 -5.633 -5.170
245 HD2 LYS 31 HD2 LYS 31 6.752 -3.228 -5.247
246 HD3 LYS 31 HD3 LYS 31 8.048 -3.481 -4.075
247 HE2 LYS 31 HE2 LYS 31 9.041 -3.407 -6.240
248 HE3 LYS 31 HE3 LYS 31 9.086 -5.078 -5.686
249 HZ1 LYS 31 HZ1 LYS 31 7.088 -5.493 -7.028
250 HZ2 LYS 31 HZ2 LYS 31 8.407 -5.014 -7.965
251 HZ3 LYS 31 HZ3 LYS 31 7.167 -3.915 -7.624
252 H CYS 32 H CYS 32 4.637 -2.387 -2.424
253 HA CYS 32 HA CYS 32 3.507 -2.595 0.263
254 HB2 CYS 32 HB2 CYS 32 3.039 -0.616 -1.980
255 HB3 CYS 32 HB3 CYS 32 2.157 -0.604 -0.458
256 H ASP 33 H ASP 33 1.911 -3.956 0.571
257 HA ASP 33 HA ASP 33 0.196 -4.687 -1.716
258 HB2 ASP 33 HB2 ASP 33 1.476 -6.509 -0.543
259 HB3 ASP 33 HB3 ASP 33 0.517 -6.171 0.893
260 H CYS 34 H CYS 34 -1.849 -4.003 -1.717
261 HA CYS 34 HA CYS 34 -2.769 -2.520 0.604
262 HB2 CYS 34 HB2 CYS 34 -3.705 -2.660 -2.238
263 HB3 CYS 34 HB3 CYS 34 -4.653 -1.873 -0.988
264 H THR 35 H THR 35 -4.769 -2.761 1.552
265 HA THR 35 HA THR 35 -6.051 -5.379 1.097
266 HB THR 35 HB THR 35 -6.006 -3.625 3.539
267 HG1 THR 35 HG1 THR 35 -4.375 -5.573 2.671
268 HG21 THR 35 HG21 THR 35 -8.165 -4.785 3.267
269 HG22 THR 35 HG22 THR 35 -7.261 -5.353 4.674
270 HG23 THR 35 HG23 THR 35 -7.300 -6.324 3.201
271 HA PRO 36 HA PRO 36 -9.391 -2.768 -0.344
272 HB2 PRO 36 HB2 PRO 36 -11.039 -4.741 -1.127
273 HB3 PRO 36 HB3 PRO 36 -9.608 -4.295 -2.059
274 HG2 PRO 36 HG2 PRO 36 -10.000 -6.574 -0.162
275 HG3 PRO 36 HG3 PRO 36 -9.172 -6.550 -1.729
276 HD2 PRO 36 HD2 PRO 36 -7.874 -6.425 0.676
277 HD3 PRO 36 HD3 PRO 36 -7.229 -5.736 -0.827
278 H LYS 37 H LYS 37 -11.747 -2.612 0.116
279 HA LYS 37 HA LYS 37 -12.243 -3.192 2.919
280 HB2 LYS 37 HB2 LYS 37 -14.325 -1.770 2.471
281 HB3 LYS 37 HB3 LYS 37 -12.765 -0.965 2.403
282 HG2 LYS 37 HG2 LYS 37 -12.818 -0.818 0.065
283 HG3 LYS 37 HG3 LYS 37 -14.108 -2.013 -0.066
284 HD2 LYS 37 HD2 LYS 37 -14.637 0.490 1.459
285 HD3 LYS 37 HD3 LYS 37 -14.595 0.572 -0.302
286 HE2 LYS 37 HE2 LYS 37 -16.868 0.198 0.645
287 HE3 LYS 37 HE3 LYS 37 -16.349 -1.042 -0.490
288 HZ1 LYS 37 HZ1 LYS 37 -15.794 -2.471 1.388
289 HZ2 LYS 37 HZ2 LYS 37 -17.421 -2.011 1.433
290 HZ3 LYS 37 HZ3 LYS 37 -16.309 -1.274 2.470
Start of MODEL 6
1 H1 VAL 1 H1 VAL 1 -3.669 -8.045 -4.398
2 H2 VAL 1 H2 VAL 1 -3.414 -7.556 -5.997
3 H3 VAL 1 H3 VAL 1 -4.931 -8.122 -5.520
4 HA VAL 1 HA VAL 1 -4.864 -5.713 -5.755
5 HB VAL 1 HB VAL 1 -5.772 -5.174 -3.465
6 HG11 VAL 1 HG11 VAL 1 -7.761 -6.515 -3.772
7 HG12 VAL 1 HG12 VAL 1 -6.878 -7.645 -4.798
8 HG13 VAL 1 HG13 VAL 1 -7.155 -5.990 -5.341
9 HG21 VAL 1 HG21 VAL 1 -4.332 -6.832 -2.299
10 HG22 VAL 1 HG22 VAL 1 -5.331 -8.115 -2.982
11 HG23 VAL 1 HG23 VAL 1 -6.038 -6.938 -1.875
12 H GLY 2 H GLY 2 -2.085 -6.259 -5.626
13 HA2 GLY 2 HA2 GLY 2 -1.180 -4.342 -3.581
14 HA3 GLY 2 HA3 GLY 2 -0.148 -5.506 -4.405
15 H ILE 3 H ILE 3 0.582 -2.845 -4.303
16 HA ILE 3 HA ILE 3 0.023 -1.932 -7.042
17 HB ILE 3 HB ILE 3 0.674 0.353 -6.238
18 HG12 ILE 3 HG12 ILE 3 0.408 -0.956 -3.522
19 HG13 ILE 3 HG13 ILE 3 1.887 -0.302 -4.216
20 HG21 ILE 3 HG21 ILE 3 -1.496 0.790 -5.141
21 HG22 ILE 3 HG22 ILE 3 -1.739 -0.950 -4.988
22 HG23 ILE 3 HG23 ILE 3 -1.641 -0.211 -6.586
23 HD11 ILE 3 HD11 ILE 3 1.102 1.918 -4.034
24 HD12 ILE 3 HD12 ILE 3 0.731 1.127 -2.501
25 HD13 ILE 3 HD13 ILE 3 -0.544 1.379 -3.693
26 H ASN 4 H ASN 4 1.790 -0.660 -8.004
27 HA ASN 4 HA ASN 4 4.133 -2.302 -8.045
28 HB2 ASN 4 HB2 ASN 4 4.866 -0.817 -9.874
29 HB3 ASN 4 HB3 ASN 4 3.221 -1.396 -10.116
30 HD21 ASN 4 HD21 ASN 4 5.186 1.365 -9.220
31 HD22 ASN 4 HD22 ASN 4 3.969 2.558 -9.512
32 H VAL 5 H VAL 5 3.443 -0.261 -5.780
33 HA VAL 5 HA VAL 5 5.861 1.363 -5.814
34 HB VAL 5 HB VAL 5 3.703 1.265 -3.701
35 HG11 VAL 5 HG11 VAL 5 5.742 2.265 -2.910
36 HG12 VAL 5 HG12 VAL 5 4.537 3.525 -3.151
37 HG13 VAL 5 HG13 VAL 5 5.828 3.306 -4.328
38 HG21 VAL 5 HG21 VAL 5 2.642 3.119 -4.759
39 HG22 VAL 5 HG22 VAL 5 2.817 1.839 -5.958
40 HG23 VAL 5 HG23 VAL 5 3.910 3.224 -5.979
41 H LYS 6 H LYS 6 7.567 1.052 -4.413
42 HA LYS 6 HA LYS 6 7.648 -1.509 -3.048
43 HB2 LYS 6 HB2 LYS 6 10.029 -0.916 -2.603
44 HB3 LYS 6 HB3 LYS 6 9.607 -0.935 -4.309
45 HG2 LYS 6 HG2 LYS 6 9.433 1.510 -4.281
46 HG3 LYS 6 HG3 LYS 6 9.890 1.510 -2.577
47 HD2 LYS 6 HD2 LYS 6 11.799 2.015 -4.019
48 HD3 LYS 6 HD3 LYS 6 12.034 0.506 -3.139
49 HE2 LYS 6 HE2 LYS 6 11.489 -0.783 -5.086
50 HE3 LYS 6 HE3 LYS 6 11.021 0.667 -5.972
51 HZ1 LYS 6 HZ1 LYS 6 13.299 1.423 -5.893
52 HZ2 LYS 6 HZ2 LYS 6 13.227 -0.114 -6.593
53 HZ3 LYS 6 HZ3 LYS 6 13.758 0.064 -4.997
54 H CYS 7 H CYS 7 7.522 -1.810 -0.902
55 HA CYS 7 HA CYS 7 6.721 0.502 0.675
56 HB2 CYS 7 HB2 CYS 7 5.339 -1.555 0.714
57 HB3 CYS 7 HB3 CYS 7 6.689 -2.416 1.446
58 H LYS 8 H LYS 8 8.334 1.592 1.717
59 HA LYS 8 HA LYS 8 10.556 0.066 2.826
60 HB2 LYS 8 HB2 LYS 8 9.977 3.037 2.857
61 HB3 LYS 8 HB3 LYS 8 11.418 2.289 3.533
62 HG2 LYS 8 HG2 LYS 8 12.035 1.472 1.316
63 HG3 LYS 8 HG3 LYS 8 10.587 2.211 0.639
64 HD2 LYS 8 HD2 LYS 8 12.486 3.635 0.217
65 HD3 LYS 8 HD3 LYS 8 11.417 4.421 1.377
66 HE2 LYS 8 HE2 LYS 8 13.759 4.673 2.013
67 HE3 LYS 8 HE3 LYS 8 12.873 3.725 3.205
68 HZ1 LYS 8 HZ1 LYS 8 15.070 2.804 2.667
69 HZ2 LYS 8 HZ2 LYS 8 14.580 2.567 1.069
70 HZ3 LYS 8 HZ3 LYS 8 13.819 1.722 2.321
71 H HIS 9 H HIS 9 7.677 1.794 3.791
72 HA HIS 9 HA HIS 9 7.818 0.590 6.443
73 HB2 HIS 9 HB2 HIS 9 7.293 3.558 6.118
74 HB3 HIS 9 HB3 HIS 9 7.417 2.657 7.624
75 HD1 HIS 9 HD1 HIS 9 9.415 4.436 5.101
76 HD2 HIS 9 HD2 HIS 9 10.099 1.885 8.312
77 HE1 HIS 9 HE1 HIS 9 11.887 4.502 5.496
78 HE2 HIS 9 HE2 HIS 9 12.295 2.924 7.413
79 H SER 10 H SER 10 5.693 0.504 7.483
80 HA SER 10 HA SER 10 3.662 -0.074 5.627
81 HB2 SER 10 HB2 SER 10 2.195 -0.213 7.703
82 HB3 SER 10 HB3 SER 10 3.622 -1.244 7.687
83 HG SER 10 HG SER 10 3.864 -0.329 9.587
84 H GLY 11 H GLY 11 4.133 2.713 7.766
85 HA2 GLY 11 HA2 GLY 11 1.752 4.077 7.107
86 HA3 GLY 11 HA3 GLY 11 3.216 4.823 7.731
87 H GLN 12 H GLN 12 4.746 3.714 5.423
88 HA GLN 12 HA GLN 12 4.331 5.905 3.609
89 HB2 GLN 12 HB2 GLN 12 6.596 5.140 4.090
90 HB3 GLN 12 HB3 GLN 12 6.207 3.535 3.499
91 HG2 GLN 12 HG2 GLN 12 5.901 4.395 1.267
92 HG3 GLN 12 HG3 GLN 12 6.222 6.033 1.832
93 HE21 GLN 12 HE21 GLN 12 8.309 6.626 2.357
94 HE22 GLN 12 HE22 GLN 12 9.682 5.682 1.899
95 H CYS 13 H CYS 13 3.439 2.570 3.805
96 HA CYS 13 HA CYS 13 2.923 2.177 1.017
97 HB2 CYS 13 HB2 CYS 13 3.450 0.341 2.638
98 HB3 CYS 13 HB3 CYS 13 1.891 0.617 3.402
99 H LEU 14 H LEU 14 1.236 3.474 3.718
100 HA LEU 14 HA LEU 14 -1.417 3.195 2.777
101 HB2 LEU 14 HB2 LEU 14 -0.045 4.462 4.981
102 HB3 LEU 14 HB3 LEU 14 -1.313 5.493 4.361
103 HG LEU 14 HG LEU 14 -2.133 4.141 6.205
104 HD11 LEU 14 HD11 LEU 14 -3.518 4.705 4.162
105 HD12 LEU 14 HD12 LEU 14 -4.124 3.426 5.212
106 HD13 LEU 14 HD13 LEU 14 -3.323 3.019 3.693
107 HD21 LEU 14 HD21 LEU 14 -1.547 1.722 4.506
108 HD22 LEU 14 HD22 LEU 14 -2.216 1.750 6.138
109 HD23 LEU 14 HD23 LEU 14 -0.546 2.245 5.861
110 H LYS 15 H LYS 15 1.118 5.453 2.072
111 HA LYS 15 HA LYS 15 -0.511 7.650 1.370
112 HB2 LYS 15 HB2 LYS 15 2.341 7.074 0.569
113 HB3 LYS 15 HB3 LYS 15 1.523 8.617 0.381
114 HG2 LYS 15 HG2 LYS 15 2.159 7.223 2.973
115 HG3 LYS 15 HG3 LYS 15 2.940 8.667 2.328
116 HD2 LYS 15 HD2 LYS 15 0.761 9.842 2.446
117 HD3 LYS 15 HD3 LYS 15 0.063 8.408 3.199
118 HE2 LYS 15 HE2 LYS 15 2.335 10.060 4.295
119 HE3 LYS 15 HE3 LYS 15 0.668 10.095 4.862
120 HZ1 LYS 15 HZ1 LYS 15 2.513 7.770 4.994
121 HZ2 LYS 15 HZ2 LYS 15 0.897 7.755 5.489
122 HZ3 LYS 15 HZ3 LYS 15 2.016 8.730 6.295
123 HA PRO 16 HA PRO 16 -0.135 6.413 -3.184
124 HB2 PRO 16 HB2 PRO 16 1.049 4.153 -3.980
125 HB3 PRO 16 HB3 PRO 16 1.996 5.595 -3.594
126 HG2 PRO 16 HG2 PRO 16 1.509 3.152 -1.941
127 HG3 PRO 16 HG3 PRO 16 3.001 4.071 -2.163
128 HD2 PRO 16 HD2 PRO 16 1.324 4.327 0.004
129 HD3 PRO 16 HD3 PRO 16 2.449 5.580 -0.545
130 H CYS 17 H CYS 17 -0.830 4.045 -0.802
131 HA CYS 17 HA CYS 17 -2.405 2.315 -2.438
132 HB2 CYS 17 HB2 CYS 17 -1.269 1.570 -0.368
133 HB3 CYS 17 HB3 CYS 17 -2.361 2.587 0.569
134 H LYS 18 H LYS 18 -3.096 4.995 -0.231
135 HA LYS 18 HA LYS 18 -5.893 4.687 -0.227
136 HB2 LYS 18 HB2 LYS 18 -5.971 6.944 0.660
137 HB3 LYS 18 HB3 LYS 18 -4.684 6.042 1.432
138 HG2 LYS 18 HG2 LYS 18 -3.039 7.154 0.046
139 HG3 LYS 18 HG3 LYS 18 -4.318 8.025 -0.801
140 HD2 LYS 18 HD2 LYS 18 -3.991 8.227 2.177
141 HD3 LYS 18 HD3 LYS 18 -3.038 9.231 1.090
142 HE2 LYS 18 HE2 LYS 18 -4.952 10.483 1.804
143 HE3 LYS 18 HE3 LYS 18 -5.154 10.079 0.103
144 HZ1 LYS 18 HZ1 LYS 18 -6.401 8.519 2.298
145 HZ2 LYS 18 HZ2 LYS 18 -6.750 8.438 0.644
146 HZ3 LYS 18 HZ3 LYS 18 -7.169 9.811 1.530
147 H LYS 19 H LYS 19 -3.691 6.206 -2.466
148 HA LYS 19 HA LYS 19 -5.833 7.563 -3.884
149 HB2 LYS 19 HB2 LYS 19 -4.160 8.607 -5.165
150 HB3 LYS 19 HB3 LYS 19 -3.486 8.489 -3.550
151 HG2 LYS 19 HG2 LYS 19 -2.210 6.500 -4.264
152 HG3 LYS 19 HG3 LYS 19 -2.824 6.741 -5.901
153 HD2 LYS 19 HD2 LYS 19 -1.822 9.010 -5.895
154 HD3 LYS 19 HD3 LYS 19 -1.128 8.664 -4.311
155 HE2 LYS 19 HE2 LYS 19 0.563 8.294 -5.952
156 HE3 LYS 19 HE3 LYS 19 0.057 6.724 -5.334
157 HZ1 LYS 19 HZ1 LYS 19 -1.314 6.431 -7.298
158 HZ2 LYS 19 HZ2 LYS 19 0.293 6.708 -7.737
159 HZ3 LYS 19 HZ3 LYS 19 -0.847 7.948 -7.884
160 H ALA 20 H ALA 20 -4.275 4.622 -3.812
161 HA ALA 20 HA ALA 20 -4.761 3.754 -6.494
162 HB1 ALA 20 HB1 ALA 20 -4.321 2.164 -3.963
163 HB2 ALA 20 HB2 ALA 20 -3.078 2.657 -5.119
164 HB3 ALA 20 HB3 ALA 20 -4.321 1.501 -5.602
165 H GLY 21 H GLY 21 -6.723 4.331 -3.805
166 HA2 GLY 21 HA2 GLY 21 -9.065 4.264 -3.820
167 HA3 GLY 21 HA3 GLY 21 -9.004 3.143 -5.172
168 H MET 22 H MET 22 -6.842 2.277 -2.746
169 HA MET 22 HA MET 22 -8.628 0.106 -1.963
170 HB2 MET 22 HB2 MET 22 -5.652 0.431 -1.538
171 HB3 MET 22 HB3 MET 22 -6.597 -0.953 -1.034
172 HG2 MET 22 HG2 MET 22 -6.229 -0.031 -3.869
173 HG3 MET 22 HG3 MET 22 -5.405 -1.385 -3.100
174 HE1 MET 22 HE1 MET 22 -6.165 -2.971 -5.090
175 HE2 MET 22 HE2 MET 22 -6.996 -1.616 -5.856
176 HE3 MET 22 HE3 MET 22 -7.841 -3.147 -5.614
177 H ARG 23 H ARG 23 -7.862 -0.642 0.485
178 HA ARG 23 HA ARG 23 -8.943 1.589 2.015
179 HB2 ARG 23 HB2 ARG 23 -9.926 -0.743 2.103
180 HB3 ARG 23 HB3 ARG 23 -8.487 -1.229 2.983
181 HG2 ARG 23 HG2 ARG 23 -9.111 -0.165 4.876
182 HG3 ARG 23 HG3 ARG 23 -9.958 1.115 4.010
183 HD2 ARG 23 HD2 ARG 23 -11.418 -0.448 5.326
184 HD3 ARG 23 HD3 ARG 23 -11.845 -0.265 3.628
185 HE ARG 23 HE ARG 23 -10.429 -2.437 3.432
186 HH11 ARG 23 HH11 ARG 23 -12.551 -1.589 6.089
187 HH12 ARG 23 HH12 ARG 23 -12.999 -3.235 6.416
188 HH21 ARG 23 HH21 ARG 23 -11.028 -4.591 3.854
189 HH22 ARG 23 HH22 ARG 23 -12.138 -4.943 5.141
190 H PHE 24 H PHE 24 -6.564 -0.901 2.971
191 HA PHE 24 HA PHE 24 -4.814 1.286 3.873
192 HB2 PHE 24 HB2 PHE 24 -4.332 -1.210 5.289
193 HB3 PHE 24 HB3 PHE 24 -4.566 0.407 5.932
194 HD1 PHE 24 HD1 PHE 24 -6.198 -2.674 4.914
195 HD2 PHE 24 HD2 PHE 24 -6.689 1.068 6.842
196 HE1 PHE 24 HE1 PHE 24 -8.370 -3.413 5.743
197 HE2 PHE 24 HE2 PHE 24 -8.872 0.334 7.721
198 HZ PHE 24 HZ PHE 24 -9.718 -1.918 7.175
199 H GLY 25 H GLY 25 -2.534 0.356 4.215
200 HA2 GLY 25 HA2 GLY 25 -1.863 -1.603 2.145
201 HA3 GLY 25 HA3 GLY 25 -1.071 -0.031 2.142
202 H LYS 26 H LYS 26 -0.833 -3.165 3.153
203 HA LYS 26 HA LYS 26 0.741 -2.588 5.544
204 HB2 LYS 26 HB2 LYS 26 0.803 -5.018 5.848
205 HB3 LYS 26 HB3 LYS 26 -0.851 -4.456 5.648
206 HG2 LYS 26 HG2 LYS 26 -0.829 -5.188 3.325
207 HG3 LYS 26 HG3 LYS 26 0.843 -5.721 3.507
208 HD2 LYS 26 HD2 LYS 26 -0.735 -7.594 3.672
209 HD3 LYS 26 HD3 LYS 26 0.158 -7.359 5.173
210 HE2 LYS 26 HE2 LYS 26 -1.719 -6.317 6.214
211 HE3 LYS 26 HE3 LYS 26 -2.596 -6.239 4.687
212 HZ1 LYS 26 HZ1 LYS 26 -1.835 -8.744 6.087
213 HZ2 LYS 26 HZ2 LYS 26 -2.747 -8.630 4.667
214 HZ3 LYS 26 HZ3 LYS 26 -3.372 -8.039 6.120
215 H CYS 27 H CYS 27 2.914 -3.469 5.729
216 HA CYS 27 HA CYS 27 4.351 -2.987 3.273
217 HB2 CYS 27 HB2 CYS 27 4.933 -2.380 5.851
218 HB3 CYS 27 HB3 CYS 27 5.871 -3.859 5.649
219 H ILE 28 H ILE 28 4.528 -4.576 1.869
220 HA ILE 28 HA ILE 28 4.756 -7.325 2.818
221 HB ILE 28 HB ILE 28 3.393 -6.108 0.662
222 HG12 ILE 28 HG12 ILE 28 2.495 -8.315 0.291
223 HG13 ILE 28 HG13 ILE 28 3.838 -9.053 1.162
224 HG21 ILE 28 HG21 ILE 28 5.564 -7.937 -0.322
225 HG22 ILE 28 HG22 ILE 28 5.361 -6.232 -0.712
226 HG23 ILE 28 HG23 ILE 28 4.173 -7.412 -1.270
227 HD11 ILE 28 HD11 ILE 28 1.905 -7.140 2.429
228 HD12 ILE 28 HD12 ILE 28 3.068 -8.192 3.231
229 HD13 ILE 28 HD13 ILE 28 1.670 -8.884 2.410
230 H ASN 29 H ASN 29 6.364 -8.679 1.531
231 HA ASN 29 HA ASN 29 8.930 -7.715 2.086
232 HB2 ASN 29 HB2 ASN 29 8.270 -9.967 0.181
233 HB3 ASN 29 HB3 ASN 29 9.773 -9.732 1.066
234 HD21 ASN 29 HD21 ASN 29 6.555 -10.916 1.167
235 HD22 ASN 29 HD22 ASN 29 6.621 -11.579 2.766
236 H GLY 30 H GLY 30 9.031 -5.679 1.033
237 HA2 GLY 30 HA2 GLY 30 10.400 -4.647 -0.614
238 HA3 GLY 30 HA3 GLY 30 9.960 -5.922 -1.738
239 H LYS 31 H LYS 31 7.022 -5.494 -0.734
240 HA LYS 31 HA LYS 31 6.603 -3.292 -2.652
241 HB2 LYS 31 HB2 LYS 31 5.171 -5.946 -2.601
242 HB3 LYS 31 HB3 LYS 31 4.668 -4.573 -3.571
243 HG2 LYS 31 HG2 LYS 31 7.331 -5.958 -3.794
244 HG3 LYS 31 HG3 LYS 31 5.945 -6.253 -4.842
245 HD2 LYS 31 HD2 LYS 31 7.355 -3.603 -4.512
246 HD3 LYS 31 HD3 LYS 31 7.593 -4.722 -5.851
247 HE2 LYS 31 HE2 LYS 31 5.003 -3.354 -5.129
248 HE3 LYS 31 HE3 LYS 31 6.072 -2.903 -6.453
249 HZ1 LYS 31 HZ1 LYS 31 4.159 -4.259 -7.159
250 HZ2 LYS 31 HZ2 LYS 31 4.725 -5.539 -6.212
251 HZ3 LYS 31 HZ3 LYS 31 5.640 -4.989 -7.522
252 H CYS 32 H CYS 32 4.558 -2.258 -2.594
253 HA CYS 32 HA CYS 32 3.410 -2.087 0.078
254 HB2 CYS 32 HB2 CYS 32 4.004 -0.030 -1.184
255 HB3 CYS 32 HB3 CYS 32 2.853 -0.476 -2.435
256 H ASP 33 H ASP 33 1.971 -3.615 0.506
257 HA ASP 33 HA ASP 33 0.178 -4.542 -1.637
258 HB2 ASP 33 HB2 ASP 33 1.542 -6.241 -0.416
259 HB3 ASP 33 HB3 ASP 33 0.688 -5.805 1.059
260 H CYS 34 H CYS 34 -1.912 -4.036 -1.607
261 HA CYS 34 HA CYS 34 -2.862 -2.445 0.648
262 HB2 CYS 34 HB2 CYS 34 -3.826 -2.712 -2.186
263 HB3 CYS 34 HB3 CYS 34 -4.711 -1.831 -0.953
264 H THR 35 H THR 35 -4.889 -2.726 1.575
265 HA THR 35 HA THR 35 -6.070 -5.400 1.198
266 HB THR 35 HB THR 35 -6.550 -3.387 3.385
267 HG1 THR 35 HG1 THR 35 -4.493 -5.104 2.978
268 HG21 THR 35 HG21 THR 35 -8.396 -4.966 3.055
269 HG22 THR 35 HG22 THR 35 -7.572 -5.232 4.593
270 HG23 THR 35 HG23 THR 35 -7.265 -6.309 3.231
271 HA PRO 36 HA PRO 36 -9.435 -3.198 -0.768
272 HB2 PRO 36 HB2 PRO 36 -10.957 -5.422 -1.285
273 HB3 PRO 36 HB3 PRO 36 -9.626 -4.872 -2.297
274 HG2 PRO 36 HG2 PRO 36 -9.789 -7.197 -0.550
275 HG3 PRO 36 HG3 PRO 36 -8.612 -6.829 -1.817
276 HD2 PRO 36 HD2 PRO 36 -8.315 -6.590 1.025
277 HD3 PRO 36 HD3 PRO 36 -7.114 -6.272 -0.236
278 H LYS 37 H LYS 37 -11.701 -2.807 -0.384
279 HA LYS 37 HA LYS 37 -12.417 -3.211 2.393
280 HB2 LYS 37 HB2 LYS 37 -12.588 -0.956 1.653
281 HB3 LYS 37 HB3 LYS 37 -13.458 -1.425 0.198
282 HG2 LYS 37 HG2 LYS 37 -15.382 -2.004 1.463
283 HG3 LYS 37 HG3 LYS 37 -14.533 -1.740 2.986
284 HD2 LYS 37 HD2 LYS 37 -15.985 0.151 2.472
285 HD3 LYS 37 HD3 LYS 37 -14.290 0.637 2.431
286 HE2 LYS 37 HE2 LYS 37 -14.297 0.494 -0.003
287 HE3 LYS 37 HE3 LYS 37 -15.976 -0.045 0.022
288 HZ1 LYS 37 HZ1 LYS 37 -15.794 2.315 -0.471
289 HZ2 LYS 37 HZ2 LYS 37 -14.998 2.587 0.994
290 HZ3 LYS 37 HZ3 LYS 37 -16.608 2.070 0.989
Start of MODEL 7
1 H1 VAL 1 H1 VAL 1 -4.303 -7.186 -4.833
2 H2 VAL 1 H2 VAL 1 -4.095 -6.590 -6.398
3 H3 VAL 1 H3 VAL 1 -5.631 -7.042 -5.866
4 HA VAL 1 HA VAL 1 -5.356 -4.642 -5.896
5 HB VAL 1 HB VAL 1 -6.046 -4.208 -3.540
6 HG11 VAL 1 HG11 VAL 1 -8.106 -5.483 -3.681
7 HG12 VAL 1 HG12 VAL 1 -7.377 -6.571 -4.860
8 HG13 VAL 1 HG13 VAL 1 -7.652 -4.879 -5.273
9 HG21 VAL 1 HG21 VAL 1 -4.576 -5.961 -2.566
10 HG22 VAL 1 HG22 VAL 1 -5.690 -7.177 -3.187
11 HG23 VAL 1 HG23 VAL 1 -6.237 -6.010 -1.983
12 H GLY 2 H GLY 2 -2.617 -5.505 -6.026
13 HA2 GLY 2 HA2 GLY 2 -1.296 -4.152 -3.802
14 HA3 GLY 2 HA3 GLY 2 -0.510 -5.059 -5.087
15 H ILE 3 H ILE 3 0.581 -2.686 -4.411
16 HA ILE 3 HA ILE 3 -0.177 -0.975 -6.676
17 HB ILE 3 HB ILE 3 0.587 0.994 -5.367
18 HG12 ILE 3 HG12 ILE 3 0.546 -0.949 -3.047
19 HG13 ILE 3 HG13 ILE 3 1.976 -0.174 -3.718
20 HG21 ILE 3 HG21 ILE 3 -1.438 1.143 -3.953
21 HG22 ILE 3 HG22 ILE 3 -1.731 -0.570 -4.249
22 HG23 ILE 3 HG23 ILE 3 -1.767 0.576 -5.590
23 HD11 ILE 3 HD11 ILE 3 1.116 2.005 -3.039
24 HD12 ILE 3 HD12 ILE 3 1.271 0.907 -1.666
25 HD13 ILE 3 HD13 ILE 3 -0.316 1.227 -2.366
26 H ASN 4 H ASN 4 1.552 0.333 -7.508
27 HA ASN 4 HA ASN 4 3.924 -1.254 -7.868
28 HB2 ASN 4 HB2 ASN 4 4.525 0.609 -9.485
29 HB3 ASN 4 HB3 ASN 4 3.030 -0.256 -9.834
30 HD21 ASN 4 HD21 ASN 4 4.394 2.725 -8.598
31 HD22 ASN 4 HD22 ASN 4 2.963 3.679 -8.802
32 H VAL 5 H VAL 5 3.974 -0.538 -5.280
33 HA VAL 5 HA VAL 5 6.107 1.489 -5.173
34 HB VAL 5 HB VAL 5 3.983 1.142 -3.051
35 HG11 VAL 5 HG11 VAL 5 4.869 3.317 -2.242
36 HG12 VAL 5 HG12 VAL 5 6.169 3.178 -3.425
37 HG13 VAL 5 HG13 VAL 5 6.023 1.988 -2.131
38 HG21 VAL 5 HG21 VAL 5 2.992 3.203 -3.805
39 HG22 VAL 5 HG22 VAL 5 3.024 2.047 -5.137
40 HG23 VAL 5 HG23 VAL 5 4.201 3.361 -5.078
41 H LYS 6 H LYS 6 7.833 0.956 -3.908
42 HA LYS 6 HA LYS 6 7.891 -1.724 -2.782
43 HB2 LYS 6 HB2 LYS 6 10.024 0.378 -3.163
44 HB3 LYS 6 HB3 LYS 6 10.316 -1.163 -2.365
45 HG2 LYS 6 HG2 LYS 6 9.693 -2.347 -4.397
46 HG3 LYS 6 HG3 LYS 6 9.364 -0.811 -5.199
47 HD2 LYS 6 HD2 LYS 6 11.675 -0.167 -5.023
48 HD3 LYS 6 HD3 LYS 6 12.041 -1.600 -4.059
49 HE2 LYS 6 HE2 LYS 6 11.513 -3.034 -5.935
50 HE3 LYS 6 HE3 LYS 6 11.034 -1.639 -6.900
51 HZ1 LYS 6 HZ1 LYS 6 13.271 -2.417 -7.427
52 HZ2 LYS 6 HZ2 LYS 6 13.763 -2.119 -5.838
53 HZ3 LYS 6 HZ3 LYS 6 13.288 -0.835 -6.831
54 H CYS 7 H CYS 7 7.916 -2.188 -0.656
55 HA CYS 7 HA CYS 7 6.827 -0.222 1.077
56 HB2 CYS 7 HB2 CYS 7 6.144 -2.531 1.328
57 HB3 CYS 7 HB3 CYS 7 7.801 -3.015 1.691
58 H LYS 8 H LYS 8 8.535 1.384 1.079
59 HA LYS 8 HA LYS 8 10.738 0.772 2.866
60 HB2 LYS 8 HB2 LYS 8 9.892 3.385 1.591
61 HB3 LYS 8 HB3 LYS 8 11.374 3.120 2.499
62 HG2 LYS 8 HG2 LYS 8 12.241 1.671 0.828
63 HG3 LYS 8 HG3 LYS 8 10.694 1.622 -0.016
64 HD2 LYS 8 HD2 LYS 8 12.379 4.098 0.341
65 HD3 LYS 8 HD3 LYS 8 12.370 3.091 -1.105
66 HE2 LYS 8 HE2 LYS 8 10.019 4.595 0.042
67 HE3 LYS 8 HE3 LYS 8 10.934 5.034 -1.395
68 HZ1 LYS 8 HZ1 LYS 8 10.204 2.963 -2.433
69 HZ2 LYS 8 HZ2 LYS 8 8.890 3.931 -1.994
70 HZ3 LYS 8 HZ3 LYS 8 9.289 2.581 -1.060
71 H HIS 9 H HIS 9 10.075 0.530 4.916
72 HA HIS 9 HA HIS 9 9.214 0.990 6.971
73 HB2 HIS 9 HB2 HIS 9 8.174 3.668 6.090
74 HB3 HIS 9 HB3 HIS 9 8.796 3.186 7.662
75 HD1 HIS 9 HD1 HIS 9 9.802 4.516 4.370
76 HD2 HIS 9 HD2 HIS 9 11.655 3.216 7.852
77 HE1 HIS 9 HE1 HIS 9 12.202 5.144 4.110
78 HE2 HIS 9 HE2 HIS 9 13.278 4.528 6.314
79 H SER 10 H SER 10 7.447 -0.052 7.601
80 HA SER 10 HA SER 10 5.179 -0.279 5.898
81 HB2 SER 10 HB2 SER 10 4.221 -1.579 7.863
82 HB3 SER 10 HB3 SER 10 5.736 -2.184 7.197
83 HG SER 10 HG SER 10 5.267 -0.827 9.621
84 H GLY 11 H GLY 11 4.691 1.933 5.684
85 HA2 GLY 11 HA2 GLY 11 2.490 2.837 7.143
86 HA3 GLY 11 HA3 GLY 11 3.920 3.656 7.768
87 H GLN 12 H GLN 12 5.185 3.391 5.061
88 HA GLN 12 HA GLN 12 4.327 5.904 4.007
89 HB2 GLN 12 HB2 GLN 12 6.677 5.131 3.920
90 HB3 GLN 12 HB3 GLN 12 6.200 3.847 2.819
91 HG2 GLN 12 HG2 GLN 12 5.408 5.619 1.243
92 HG3 GLN 12 HG3 GLN 12 6.135 6.807 2.320
93 HE21 GLN 12 HE21 GLN 12 7.611 7.524 0.871
94 HE22 GLN 12 HE22 GLN 12 8.952 6.586 0.323
95 H CYS 13 H CYS 13 3.514 2.605 3.411
96 HA CYS 13 HA CYS 13 2.856 2.843 0.657
97 HB2 CYS 13 HB2 CYS 13 1.932 0.767 2.650
98 HB3 CYS 13 HB3 CYS 13 1.874 0.626 0.901
99 H LEU 14 H LEU 14 1.316 3.957 3.410
100 HA LEU 14 HA LEU 14 -1.401 3.467 2.803
101 HB2 LEU 14 HB2 LEU 14 -0.092 5.614 4.459
102 HB3 LEU 14 HB3 LEU 14 -1.821 5.360 4.383
103 HG LEU 14 HG LEU 14 0.230 3.423 5.458
104 HD11 LEU 14 HD11 LEU 14 -1.943 4.998 6.827
105 HD12 LEU 14 HD12 LEU 14 -0.208 5.302 6.935
106 HD13 LEU 14 HD13 LEU 14 -0.887 3.813 7.594
107 HD21 LEU 14 HD21 LEU 14 -1.536 2.177 4.381
108 HD22 LEU 14 HD22 LEU 14 -2.762 3.146 5.198
109 HD23 LEU 14 HD23 LEU 14 -1.727 2.068 6.131
110 H LYS 15 H LYS 15 0.659 6.296 2.251
111 HA LYS 15 HA LYS 15 -1.231 7.997 1.169
112 HB2 LYS 15 HB2 LYS 15 1.718 7.814 0.573
113 HB3 LYS 15 HB3 LYS 15 0.692 9.124 0.015
114 HG2 LYS 15 HG2 LYS 15 0.195 9.723 2.327
115 HG3 LYS 15 HG3 LYS 15 1.218 8.397 2.889
116 HD2 LYS 15 HD2 LYS 15 3.158 9.416 1.853
117 HD3 LYS 15 HD3 LYS 15 2.155 10.702 1.182
118 HE2 LYS 15 HE2 LYS 15 3.331 11.483 3.154
119 HE3 LYS 15 HE3 LYS 15 1.594 11.437 3.450
120 HZ1 LYS 15 HZ1 LYS 15 3.487 9.315 4.292
121 HZ2 LYS 15 HZ2 LYS 15 1.846 9.423 4.685
122 HZ3 LYS 15 HZ3 LYS 15 2.938 10.556 5.300
123 HA PRO 16 HA PRO 16 -0.262 6.598 -3.315
124 HB2 PRO 16 HB2 PRO 16 1.083 4.274 -3.729
125 HB3 PRO 16 HB3 PRO 16 1.882 5.845 -3.609
126 HG2 PRO 16 HG2 PRO 16 1.589 3.704 -1.542
127 HG3 PRO 16 HG3 PRO 16 2.994 4.716 -1.917
128 HD2 PRO 16 HD2 PRO 16 1.347 5.203 0.184
129 HD3 PRO 16 HD3 PRO 16 2.205 6.487 -0.687
130 H CYS 17 H CYS 17 -1.008 4.319 -0.825
131 HA CYS 17 HA CYS 17 -2.483 2.488 -2.454
132 HB2 CYS 17 HB2 CYS 17 -1.455 1.923 -0.238
133 HB3 CYS 17 HB3 CYS 17 -2.683 2.922 0.532
134 H LYS 18 H LYS 18 -3.203 5.407 -0.666
135 HA LYS 18 HA LYS 18 -5.996 5.293 -0.744
136 HB2 LYS 18 HB2 LYS 18 -4.764 6.914 0.613
137 HB3 LYS 18 HB3 LYS 18 -4.160 7.691 -0.847
138 HG2 LYS 18 HG2 LYS 18 -6.511 8.122 -1.499
139 HG3 LYS 18 HG3 LYS 18 -6.990 7.535 0.097
140 HD2 LYS 18 HD2 LYS 18 -5.541 9.280 1.120
141 HD3 LYS 18 HD3 LYS 18 -5.232 9.914 -0.497
142 HE2 LYS 18 HE2 LYS 18 -7.687 10.233 -0.769
143 HE3 LYS 18 HE3 LYS 18 -7.891 9.750 0.913
144 HZ1 LYS 18 HZ1 LYS 18 -6.542 11.626 1.588
145 HZ2 LYS 18 HZ2 LYS 18 -7.848 12.155 0.658
146 HZ3 LYS 18 HZ3 LYS 18 -6.306 12.078 -0.024
147 H LYS 19 H LYS 19 -3.596 6.322 -3.075
148 HA LYS 19 HA LYS 19 -5.485 7.454 -4.927
149 HB2 LYS 19 HB2 LYS 19 -2.547 6.790 -5.113
150 HB3 LYS 19 HB3 LYS 19 -3.455 7.428 -6.473
151 HG2 LYS 19 HG2 LYS 19 -3.133 8.810 -3.817
152 HG3 LYS 19 HG3 LYS 19 -2.183 9.155 -5.264
153 HD2 LYS 19 HD2 LYS 19 -4.361 9.646 -6.437
154 HD3 LYS 19 HD3 LYS 19 -5.144 9.548 -4.860
155 HE2 LYS 19 HE2 LYS 19 -2.919 11.448 -5.596
156 HE3 LYS 19 HE3 LYS 19 -4.629 11.864 -5.506
157 HZ1 LYS 19 HZ1 LYS 19 -2.981 10.900 -3.235
158 HZ2 LYS 19 HZ2 LYS 19 -4.605 11.351 -3.159
159 HZ3 LYS 19 HZ3 LYS 19 -3.424 12.504 -3.511
160 H ALA 20 H ALA 20 -4.998 4.465 -3.954
161 HA ALA 20 HA ALA 20 -5.288 3.197 -6.595
162 HB1 ALA 20 HB1 ALA 20 -4.453 2.088 -3.920
163 HB2 ALA 20 HB2 ALA 20 -3.454 2.282 -5.366
164 HB3 ALA 20 HB3 ALA 20 -4.756 1.092 -5.347
165 H GLY 21 H GLY 21 -7.021 4.296 -3.994
166 HA2 GLY 21 HA2 GLY 21 -9.252 4.118 -3.472
167 HA3 GLY 21 HA3 GLY 21 -9.437 3.024 -4.833
168 H MET 22 H MET 22 -7.043 2.313 -2.433
169 HA MET 22 HA MET 22 -8.637 -0.024 -1.673
170 HB2 MET 22 HB2 MET 22 -5.712 0.491 -1.125
171 HB3 MET 22 HB3 MET 22 -6.578 -1.016 -0.907
172 HG2 MET 22 HG2 MET 22 -6.040 0.343 -3.528
173 HG3 MET 22 HG3 MET 22 -5.214 -1.075 -2.888
174 HE1 MET 22 HE1 MET 22 -5.717 -2.278 -5.231
175 HE2 MET 22 HE2 MET 22 -6.591 -0.850 -5.786
176 HE3 MET 22 HE3 MET 22 -7.337 -2.443 -5.905
177 H ARG 23 H ARG 23 -7.773 -0.741 0.735
178 HA ARG 23 HA ARG 23 -8.879 1.418 2.355
179 HB2 ARG 23 HB2 ARG 23 -9.708 -0.989 2.459
180 HB3 ARG 23 HB3 ARG 23 -8.216 -1.360 3.309
181 HG2 ARG 23 HG2 ARG 23 -8.889 -0.370 5.210
182 HG3 ARG 23 HG3 ARG 23 -9.759 0.909 4.364
183 HD2 ARG 23 HD2 ARG 23 -11.227 -0.633 5.648
184 HD3 ARG 23 HD3 ARG 23 -11.611 -0.544 3.933
185 HE ARG 23 HE ARG 23 -10.455 -2.698 3.689
186 HH11 ARG 23 HH11 ARG 23 -11.495 -1.738 6.896
187 HH12 ARG 23 HH12 ARG 23 -11.608 -3.367 7.478
188 HH21 ARG 23 HH21 ARG 23 -10.615 -4.829 4.459
189 HH22 ARG 23 HH22 ARG 23 -11.104 -5.122 6.098
190 H PHE 24 H PHE 24 -6.333 -0.959 3.159
191 HA PHE 24 HA PHE 24 -4.621 1.306 3.943
192 HB2 PHE 24 HB2 PHE 24 -3.971 -1.163 5.339
193 HB3 PHE 24 HB3 PHE 24 -4.211 0.454 5.986
194 HD1 PHE 24 HD1 PHE 24 -5.805 -2.695 5.105
195 HD2 PHE 24 HD2 PHE 24 -6.301 1.069 6.997
196 HE1 PHE 24 HE1 PHE 24 -7.894 -3.484 6.085
197 HE2 PHE 24 HE2 PHE 24 -8.398 0.284 8.021
198 HZ PHE 24 HZ PHE 24 -9.201 -2.003 7.569
199 H GLY 25 H GLY 25 -2.277 0.419 4.202
200 HA2 GLY 25 HA2 GLY 25 -1.688 -1.391 1.957
201 HA3 GLY 25 HA3 GLY 25 -0.801 0.109 2.187
202 H LYS 26 H LYS 26 -0.981 -3.172 2.961
203 HA LYS 26 HA LYS 26 0.624 -2.956 5.378
204 HB2 LYS 26 HB2 LYS 26 0.317 -5.342 5.583
205 HB3 LYS 26 HB3 LYS 26 -1.237 -4.609 5.214
206 HG2 LYS 26 HG2 LYS 26 -0.834 -5.213 2.809
207 HG3 LYS 26 HG3 LYS 26 0.559 -6.145 3.360
208 HD2 LYS 26 HD2 LYS 26 -2.302 -6.563 4.215
209 HD3 LYS 26 HD3 LYS 26 -1.408 -7.561 3.069
210 HE2 LYS 26 HE2 LYS 26 0.179 -8.158 4.832
211 HE3 LYS 26 HE3 LYS 26 -0.719 -7.162 5.977
212 HZ1 LYS 26 HZ1 LYS 26 -2.654 -8.591 5.603
213 HZ2 LYS 26 HZ2 LYS 26 -1.338 -9.456 6.215
214 HZ3 LYS 26 HZ3 LYS 26 -1.733 -9.574 4.576
215 H CYS 27 H CYS 27 2.684 -3.983 5.569
216 HA CYS 27 HA CYS 27 4.277 -3.612 3.211
217 HB2 CYS 27 HB2 CYS 27 4.940 -3.010 5.599
218 HB3 CYS 27 HB3 CYS 27 5.228 -4.731 5.837
219 H ILE 28 H ILE 28 4.541 -5.112 1.722
220 HA ILE 28 HA ILE 28 4.646 -7.919 2.538
221 HB ILE 28 HB ILE 28 3.482 -6.565 0.245
222 HG12 ILE 28 HG12 ILE 28 2.194 -8.579 0.057
223 HG13 ILE 28 HG13 ILE 28 3.374 -9.488 0.991
224 HG21 ILE 28 HG21 ILE 28 5.531 -8.669 -0.295
225 HG22 ILE 28 HG22 ILE 28 5.311 -7.108 -1.092
226 HG23 ILE 28 HG23 ILE 28 4.160 -8.416 -1.380
227 HD11 ILE 28 HD11 ILE 28 1.955 -7.165 2.194
228 HD12 ILE 28 HD12 ILE 28 2.703 -8.547 2.990
229 HD13 ILE 28 HD13 ILE 28 1.186 -8.747 2.111
230 H ASN 29 H ASN 29 6.295 -9.187 1.272
231 HA ASN 29 HA ASN 29 8.840 -8.241 1.906
232 HB2 ASN 29 HB2 ASN 29 8.201 -10.403 -0.108
233 HB3 ASN 29 HB3 ASN 29 9.704 -10.208 0.793
234 HD21 ASN 29 HD21 ASN 29 8.219 -9.414 3.219
235 HD22 ASN 29 HD22 ASN 29 7.548 -10.871 3.849
236 H GLY 30 H GLY 30 8.990 -6.167 0.993
237 HA2 GLY 30 HA2 GLY 30 10.410 -5.023 -0.524
238 HA3 GLY 30 HA3 GLY 30 10.054 -6.243 -1.735
239 H LYS 31 H LYS 31 7.077 -5.898 -0.834
240 HA LYS 31 HA LYS 31 6.678 -3.603 -2.647
241 HB2 LYS 31 HB2 LYS 31 6.366 -6.053 -3.555
242 HB3 LYS 31 HB3 LYS 31 4.833 -5.961 -2.701
243 HG2 LYS 31 HG2 LYS 31 4.445 -5.371 -4.970
244 HG3 LYS 31 HG3 LYS 31 4.311 -3.899 -4.004
245 HD2 LYS 31 HD2 LYS 31 6.587 -3.273 -4.634
246 HD3 LYS 31 HD3 LYS 31 6.742 -4.756 -5.577
247 HE2 LYS 31 HE2 LYS 31 4.749 -2.548 -6.087
248 HE3 LYS 31 HE3 LYS 31 6.247 -2.797 -6.980
249 HZ1 LYS 31 HZ1 LYS 31 3.931 -4.655 -6.874
250 HZ2 LYS 31 HZ2 LYS 31 5.393 -4.988 -7.652
251 HZ3 LYS 31 HZ3 LYS 31 4.417 -3.724 -8.197
252 H CYS 32 H CYS 32 4.812 -2.361 -2.329
253 HA CYS 32 HA CYS 32 3.531 -2.624 0.259
254 HB2 CYS 32 HB2 CYS 32 3.132 -0.625 -1.982
255 HB3 CYS 32 HB3 CYS 32 2.292 -0.574 -0.440
256 H ASP 33 H ASP 33 1.907 -3.985 0.511
257 HA ASP 33 HA ASP 33 0.168 -4.556 -1.805
258 HB2 ASP 33 HB2 ASP 33 1.435 -6.496 -0.843
259 HB3 ASP 33 HB3 ASP 33 0.564 -6.249 0.665
260 H CYS 34 H CYS 34 -1.869 -3.865 -1.688
261 HA CYS 34 HA CYS 34 -2.656 -2.518 0.757
262 HB2 CYS 34 HB2 CYS 34 -3.779 -2.494 -2.028
263 HB3 CYS 34 HB3 CYS 34 -4.573 -1.702 -0.678
264 H THR 35 H THR 35 -4.635 -2.761 1.764
265 HA THR 35 HA THR 35 -5.906 -5.383 1.427
266 HB THR 35 HB THR 35 -6.371 -3.267 3.526
267 HG1 THR 35 HG1 THR 35 -4.390 -5.161 3.233
268 HG21 THR 35 HG21 THR 35 -8.230 -4.832 3.269
269 HG22 THR 35 HG22 THR 35 -7.398 -5.075 4.810
270 HG23 THR 35 HG23 THR 35 -7.118 -6.190 3.474
271 HA PRO 36 HA PRO 36 -9.135 -3.240 -0.811
272 HB2 PRO 36 HB2 PRO 36 -10.802 -5.598 -0.457
273 HB3 PRO 36 HB3 PRO 36 -10.099 -4.942 -1.932
274 HG2 PRO 36 HG2 PRO 36 -9.289 -7.278 -0.776
275 HG3 PRO 36 HG3 PRO 36 -8.253 -6.269 -1.794
276 HD2 PRO 36 HD2 PRO 36 -8.317 -6.535 1.175
277 HD3 PRO 36 HD3 PRO 36 -6.938 -6.273 0.090
278 H LYS 37 H LYS 37 -11.121 -2.300 -0.343
279 HA LYS 37 HA LYS 37 -11.725 -1.941 2.409
280 HB2 LYS 37 HB2 LYS 37 -13.258 -1.097 -0.058
281 HB3 LYS 37 HB3 LYS 37 -13.628 -0.576 1.579
282 HG2 LYS 37 HG2 LYS 37 -11.396 0.463 1.722
283 HG3 LYS 37 HG3 LYS 37 -11.102 0.000 0.046
284 HD2 LYS 37 HD2 LYS 37 -12.991 1.356 -0.677
285 HD3 LYS 37 HD3 LYS 37 -13.340 1.787 0.997
286 HE2 LYS 37 HE2 LYS 37 -11.132 2.858 1.162
287 HE3 LYS 37 HE3 LYS 37 -10.827 2.463 -0.528
288 HZ1 LYS 37 HZ1 LYS 37 -13.045 4.181 0.439
289 HZ2 LYS 37 HZ2 LYS 37 -12.664 3.857 -1.176
290 HZ3 LYS 37 HZ3 LYS 37 -11.596 4.749 -0.218
Start of MODEL 8
1 H1 VAL 1 H1 VAL 1 -2.853 -6.593 -2.802
2 H2 VAL 1 H2 VAL 1 -2.956 -7.926 -3.840
3 H3 VAL 1 H3 VAL 1 -4.360 -7.281 -3.154
4 HA VAL 1 HA VAL 1 -4.136 -6.667 -5.470
5 HB VAL 1 HB VAL 1 -4.587 -4.341 -5.283
6 HG11 VAL 1 HG11 VAL 1 -6.322 -5.679 -4.333
7 HG12 VAL 1 HG12 VAL 1 -6.122 -4.249 -3.322
8 HG13 VAL 1 HG13 VAL 1 -5.462 -5.797 -2.799
9 HG21 VAL 1 HG21 VAL 1 -2.554 -3.748 -4.013
10 HG22 VAL 1 HG22 VAL 1 -3.331 -4.346 -2.546
11 HG23 VAL 1 HG23 VAL 1 -4.012 -2.964 -3.409
12 H GLY 2 H GLY 2 -1.348 -5.859 -3.475
13 HA2 GLY 2 HA2 GLY 2 0.802 -5.270 -4.015
14 HA3 GLY 2 HA3 GLY 2 0.539 -6.231 -5.458
15 H ILE 3 H ILE 3 0.644 -2.998 -4.131
16 HA ILE 3 HA ILE 3 -0.013 -1.799 -6.689
17 HB ILE 3 HB ILE 3 0.340 0.362 -5.572
18 HG12 ILE 3 HG12 ILE 3 0.970 -1.298 -3.119
19 HG13 ILE 3 HG13 ILE 3 2.128 -0.326 -4.021
20 HG21 ILE 3 HG21 ILE 3 -1.525 0.207 -3.967
21 HG22 ILE 3 HG22 ILE 3 -1.414 -1.552 -4.039
22 HG23 ILE 3 HG23 ILE 3 -1.860 -0.637 -5.479
23 HD11 ILE 3 HD11 ILE 3 1.041 1.694 -3.365
24 HD12 ILE 3 HD12 ILE 3 1.314 0.718 -1.922
25 HD13 ILE 3 HD13 ILE 3 -0.294 0.800 -2.640
26 H ASN 4 H ASN 4 1.569 0.124 -7.222
27 HA ASN 4 HA ASN 4 4.046 -1.216 -7.928
28 HB2 ASN 4 HB2 ASN 4 4.362 0.611 -9.514
29 HB3 ASN 4 HB3 ASN 4 2.735 -0.042 -9.664
30 HD21 ASN 4 HD21 ASN 4 3.751 2.545 -10.463
31 HD22 ASN 4 HD22 ASN 4 2.800 3.722 -9.626
32 H VAL 5 H VAL 5 4.044 -0.714 -5.271
33 HA VAL 5 HA VAL 5 5.957 1.497 -4.982
34 HB VAL 5 HB VAL 5 3.675 0.888 -3.093
35 HG11 VAL 5 HG11 VAL 5 4.426 2.829 -1.810
36 HG12 VAL 5 HG12 VAL 5 5.830 2.988 -2.870
37 HG13 VAL 5 HG13 VAL 5 5.657 1.565 -1.842
38 HG21 VAL 5 HG21 VAL 5 3.170 3.323 -3.656
39 HG22 VAL 5 HG22 VAL 5 2.746 2.092 -4.839
40 HG23 VAL 5 HG23 VAL 5 4.197 3.073 -5.061
41 H LYS 6 H LYS 6 7.458 1.252 -3.324
42 HA LYS 6 HA LYS 6 7.989 -1.564 -2.668
43 HB2 LYS 6 HB2 LYS 6 9.817 0.846 -2.697
44 HB3 LYS 6 HB3 LYS 6 10.311 -0.767 -2.207
45 HG2 LYS 6 HG2 LYS 6 9.847 -1.607 -4.442
46 HG3 LYS 6 HG3 LYS 6 9.300 -0.004 -4.940
47 HD2 LYS 6 HD2 LYS 6 11.527 0.899 -4.480
48 HD3 LYS 6 HD3 LYS 6 12.073 -0.697 -3.971
49 HE2 LYS 6 HE2 LYS 6 11.038 -0.032 -6.723
50 HE3 LYS 6 HE3 LYS 6 12.743 -0.110 -6.285
51 HZ1 LYS 6 HZ1 LYS 6 12.423 -2.440 -5.678
52 HZ2 LYS 6 HZ2 LYS 6 12.034 -2.161 -7.299
53 HZ3 LYS 6 HZ3 LYS 6 10.804 -2.355 -6.162
54 H CYS 7 H CYS 7 8.191 -2.255 -0.590
55 HA CYS 7 HA CYS 7 7.043 -0.668 1.469
56 HB2 CYS 7 HB2 CYS 7 6.670 -2.977 1.700
57 HB3 CYS 7 HB3 CYS 7 8.367 -3.369 1.438
58 H LYS 8 H LYS 8 8.483 1.206 1.438
59 HA LYS 8 HA LYS 8 10.982 0.779 2.864
60 HB2 LYS 8 HB2 LYS 8 9.610 3.300 1.910
61 HB3 LYS 8 HB3 LYS 8 11.135 3.283 2.782
62 HG2 LYS 8 HG2 LYS 8 12.129 1.941 0.972
63 HG3 LYS 8 HG3 LYS 8 10.606 2.042 0.089
64 HD2 LYS 8 HD2 LYS 8 12.207 4.446 0.953
65 HD3 LYS 8 HD3 LYS 8 12.360 3.683 -0.630
66 HE2 LYS 8 HE2 LYS 8 10.026 4.143 -1.105
67 HE3 LYS 8 HE3 LYS 8 9.811 4.827 0.504
68 HZ1 LYS 8 HZ1 LYS 8 11.577 5.910 -1.622
69 HZ2 LYS 8 HZ2 LYS 8 11.407 6.558 -0.070
70 HZ3 LYS 8 HZ3 LYS 8 10.093 6.561 -1.133
71 H HIS 9 H HIS 9 7.757 2.088 3.318
72 HA HIS 9 HA HIS 9 7.907 1.622 6.189
73 HB2 HIS 9 HB2 HIS 9 6.951 4.302 5.140
74 HB3 HIS 9 HB3 HIS 9 7.171 3.830 6.818
75 HD1 HIS 9 HD1 HIS 9 9.073 4.909 3.779
76 HD2 HIS 9 HD2 HIS 9 9.773 4.102 7.793
77 HE1 HIS 9 HE1 HIS 9 11.436 5.616 4.201
78 HE2 HIS 9 HE2 HIS 9 11.883 5.013 6.605
79 H SER 10 H SER 10 5.943 0.891 6.920
80 HA SER 10 HA SER 10 4.021 0.137 4.985
81 HB2 SER 10 HB2 SER 10 2.706 -0.659 6.960
82 HB3 SER 10 HB3 SER 10 4.363 -1.255 6.922
83 HG SER 10 HG SER 10 4.684 -0.313 8.764
84 H GLY 11 H GLY 11 4.139 2.733 7.371
85 HA2 GLY 11 HA2 GLY 11 1.489 3.676 6.898
86 HA3 GLY 11 HA3 GLY 11 2.792 4.587 7.649
87 H GLN 12 H GLN 12 4.421 3.911 5.178
88 HA GLN 12 HA GLN 12 3.709 6.252 3.651
89 HB2 GLN 12 HB2 GLN 12 6.033 5.880 4.046
90 HB3 GLN 12 HB3 GLN 12 5.941 4.235 3.447
91 HG2 GLN 12 HG2 GLN 12 5.516 5.081 1.200
92 HG3 GLN 12 HG3 GLN 12 5.609 6.732 1.814
93 HE21 GLN 12 HE21 GLN 12 7.570 7.628 2.254
94 HE22 GLN 12 HE22 GLN 12 9.073 6.872 1.850
95 H CYS 13 H CYS 13 3.241 2.853 3.508
96 HA CYS 13 HA CYS 13 2.807 2.607 0.705
97 HB2 CYS 13 HB2 CYS 13 1.818 0.894 3.000
98 HB3 CYS 13 HB3 CYS 13 1.730 0.450 1.303
99 H LEU 14 H LEU 14 1.047 3.882 3.294
100 HA LEU 14 HA LEU 14 -1.604 3.525 2.290
101 HB2 LEU 14 HB2 LEU 14 -0.457 4.268 4.672
102 HB3 LEU 14 HB3 LEU 14 -1.115 5.782 4.087
103 HG LEU 14 HG LEU 14 -3.339 4.807 3.952
104 HD11 LEU 14 HD11 LEU 14 -1.855 2.308 4.655
105 HD12 LEU 14 HD12 LEU 14 -3.083 2.575 3.414
106 HD13 LEU 14 HD13 LEU 14 -3.549 2.500 5.112
107 HD21 LEU 14 HD21 LEU 14 -2.018 4.261 6.607
108 HD22 LEU 14 HD22 LEU 14 -3.743 4.507 6.331
109 HD23 LEU 14 HD23 LEU 14 -2.608 5.827 6.057
110 H LYS 15 H LYS 15 0.875 5.973 2.083
111 HA LYS 15 HA LYS 15 -0.638 8.175 1.358
112 HB2 LYS 15 HB2 LYS 15 2.146 7.640 0.330
113 HB3 LYS 15 HB3 LYS 15 1.383 9.195 0.586
114 HG2 LYS 15 HG2 LYS 15 2.091 7.235 2.755
115 HG3 LYS 15 HG3 LYS 15 3.045 8.647 2.305
116 HD2 LYS 15 HD2 LYS 15 0.188 8.768 3.262
117 HD3 LYS 15 HD3 LYS 15 1.592 8.969 4.311
118 HE2 LYS 15 HE2 LYS 15 2.311 10.885 2.941
119 HE3 LYS 15 HE3 LYS 15 0.868 10.697 1.946
120 HZ1 LYS 15 HZ1 LYS 15 -0.491 11.148 3.874
121 HZ2 LYS 15 HZ2 LYS 15 0.600 12.414 3.633
122 HZ3 LYS 15 HZ3 LYS 15 0.878 11.281 4.855
123 HA PRO 16 HA PRO 16 -0.391 7.063 -3.263
124 HB2 PRO 16 HB2 PRO 16 0.638 4.684 -4.062
125 HB3 PRO 16 HB3 PRO 16 1.619 6.141 -3.877
126 HG2 PRO 16 HG2 PRO 16 1.407 3.762 -2.114
127 HG3 PRO 16 HG3 PRO 16 2.791 4.819 -2.424
128 HD2 PRO 16 HD2 PRO 16 1.156 4.911 -0.177
129 HD3 PRO 16 HD3 PRO 16 2.252 6.190 -0.720
130 H CYS 17 H CYS 17 -1.120 4.706 -0.874
131 HA CYS 17 HA CYS 17 -2.689 2.918 -2.390
132 HB2 CYS 17 HB2 CYS 17 -1.685 2.547 -0.085
133 HB3 CYS 17 HB3 CYS 17 -3.021 3.497 0.551
134 H LYS 18 H LYS 18 -3.372 6.016 -0.939
135 HA LYS 18 HA LYS 18 -6.168 5.913 -0.916
136 HB2 LYS 18 HB2 LYS 18 -6.149 8.296 -0.856
137 HB3 LYS 18 HB3 LYS 18 -4.755 7.748 0.056
138 HG2 LYS 18 HG2 LYS 18 -3.256 8.399 -1.628
139 HG3 LYS 18 HG3 LYS 18 -4.543 8.557 -2.824
140 HD2 LYS 18 HD2 LYS 18 -3.860 10.756 -2.140
141 HD3 LYS 18 HD3 LYS 18 -5.470 10.443 -1.494
142 HE2 LYS 18 HE2 LYS 18 -4.146 11.503 0.206
143 HE3 LYS 18 HE3 LYS 18 -4.428 9.827 0.668
144 HZ1 LYS 18 HZ1 LYS 18 -2.208 9.287 -0.178
145 HZ2 LYS 18 HZ2 LYS 18 -2.153 10.424 1.072
146 HZ3 LYS 18 HZ3 LYS 18 -1.944 10.923 -0.529
147 H LYS 19 H LYS 19 -3.918 6.273 -3.567
148 HA LYS 19 HA LYS 19 -6.038 7.096 -5.399
149 HB2 LYS 19 HB2 LYS 19 -3.084 6.653 -5.873
150 HB3 LYS 19 HB3 LYS 19 -4.224 7.182 -7.103
151 HG2 LYS 19 HG2 LYS 19 -4.728 9.131 -5.510
152 HG3 LYS 19 HG3 LYS 19 -3.235 8.664 -4.697
153 HD2 LYS 19 HD2 LYS 19 -3.508 9.402 -7.611
154 HD3 LYS 19 HD3 LYS 19 -2.844 10.432 -6.343
155 HE2 LYS 19 HE2 LYS 19 -1.715 7.755 -7.148
156 HE3 LYS 19 HE3 LYS 19 -1.117 9.308 -7.727
157 HZ1 LYS 19 HZ1 LYS 19 -0.491 9.909 -5.520
158 HZ2 LYS 19 HZ2 LYS 19 0.157 8.379 -5.842
159 HZ3 LYS 19 HZ3 LYS 19 -1.215 8.532 -4.867
160 H ALA 20 H ALA 20 -4.550 4.315 -4.236
161 HA ALA 20 HA ALA 20 -5.205 2.632 -6.482
162 HB1 ALA 20 HB1 ALA 20 -4.423 1.950 -3.643
163 HB2 ALA 20 HB2 ALA 20 -3.350 2.010 -5.043
164 HB3 ALA 20 HB3 ALA 20 -4.613 0.783 -4.953
165 H GLY 21 H GLY 21 -6.816 4.081 -3.906
166 HA2 GLY 21 HA2 GLY 21 -9.039 4.089 -3.336
167 HA3 GLY 21 HA3 GLY 21 -9.329 2.973 -4.664
168 H MET 22 H MET 22 -7.066 2.358 -2.058
169 HA MET 22 HA MET 22 -8.731 0.034 -1.374
170 HB2 MET 22 HB2 MET 22 -5.756 0.409 -1.041
171 HB3 MET 22 HB3 MET 22 -6.656 -1.034 -0.607
172 HG2 MET 22 HG2 MET 22 -6.299 0.090 -3.371
173 HG3 MET 22 HG3 MET 22 -5.540 -1.355 -2.708
174 HE1 MET 22 HE1 MET 22 -6.393 -2.604 -4.945
175 HE2 MET 22 HE2 MET 22 -7.236 -1.152 -5.487
176 HE3 MET 22 HE3 MET 22 -8.090 -2.693 -5.416
177 H ARG 23 H ARG 23 -7.886 -0.791 0.976
178 HA ARG 23 HA ARG 23 -8.833 1.359 2.700
179 HB2 ARG 23 HB2 ARG 23 -9.813 -0.963 2.739
180 HB3 ARG 23 HB3 ARG 23 -8.307 -1.516 3.446
181 HG2 ARG 23 HG2 ARG 23 -8.732 -0.547 5.461
182 HG3 ARG 23 HG3 ARG 23 -9.733 0.726 4.764
183 HD2 ARG 23 HD2 ARG 23 -11.025 -0.922 6.083
184 HD3 ARG 23 HD3 ARG 23 -11.542 -0.820 4.404
185 HE ARG 23 HE ARG 23 -9.637 -2.912 5.093
186 HH11 ARG 23 HH11 ARG 23 -12.942 -2.008 4.423
187 HH12 ARG 23 HH12 ARG 23 -13.461 -3.632 4.123
188 HH21 ARG 23 HH21 ARG 23 -10.321 -5.061 4.721
189 HH22 ARG 23 HH22 ARG 23 -11.970 -5.371 4.288
190 H PHE 24 H PHE 24 -6.446 -1.183 3.486
191 HA PHE 24 HA PHE 24 -4.707 0.951 4.529
192 HB2 PHE 24 HB2 PHE 24 -4.087 -1.770 5.440
193 HB3 PHE 24 HB3 PHE 24 -4.202 -0.279 6.365
194 HD1 PHE 24 HD1 PHE 24 -5.981 -3.160 5.080
195 HD2 PHE 24 HD2 PHE 24 -6.255 0.310 7.500
196 HE1 PHE 24 HE1 PHE 24 -8.090 -3.988 5.985
197 HE2 PHE 24 HE2 PHE 24 -8.372 -0.518 8.447
198 HZ PHE 24 HZ PHE 24 -9.292 -2.677 7.697
199 H GLY 25 H GLY 25 -2.357 0.083 4.640
200 HA2 GLY 25 HA2 GLY 25 -1.687 -1.399 2.200
201 HA3 GLY 25 HA3 GLY 25 -0.945 0.164 2.509
202 H LYS 26 H LYS 26 -0.880 -3.179 3.158
203 HA LYS 26 HA LYS 26 0.932 -2.906 5.422
204 HB2 LYS 26 HB2 LYS 26 0.852 -5.373 5.504
205 HB3 LYS 26 HB3 LYS 26 -0.746 -4.654 5.585
206 HG2 LYS 26 HG2 LYS 26 -1.252 -5.288 3.372
207 HG3 LYS 26 HG3 LYS 26 0.433 -5.679 3.025
208 HD2 LYS 26 HD2 LYS 26 -0.894 -7.703 3.339
209 HD3 LYS 26 HD3 LYS 26 0.334 -7.545 4.594
210 HE2 LYS 26 HE2 LYS 26 -1.697 -8.268 5.622
211 HE3 LYS 26 HE3 LYS 26 -1.415 -6.597 6.093
212 HZ1 LYS 26 HZ1 LYS 26 -3.056 -5.858 4.559
213 HZ2 LYS 26 HZ2 LYS 26 -3.744 -7.113 5.460
214 HZ3 LYS 26 HZ3 LYS 26 -3.220 -7.400 3.881
215 H CYS 27 H CYS 27 2.942 -4.172 5.398
216 HA CYS 27 HA CYS 27 4.357 -3.685 2.920
217 HB2 CYS 27 HB2 CYS 27 5.105 -4.112 5.742
218 HB3 CYS 27 HB3 CYS 27 6.242 -4.729 4.546
219 H ILE 28 H ILE 28 4.676 -5.137 1.451
220 HA ILE 28 HA ILE 28 4.447 -7.978 2.148
221 HB ILE 28 HB ILE 28 3.106 -6.481 0.207
222 HG12 ILE 28 HG12 ILE 28 2.195 -8.662 -0.498
223 HG13 ILE 28 HG13 ILE 28 3.447 -9.474 0.438
224 HG21 ILE 28 HG21 ILE 28 5.071 -8.296 -1.168
225 HG22 ILE 28 HG22 ILE 28 5.089 -6.534 -1.215
226 HG23 ILE 28 HG23 ILE 28 3.740 -7.421 -1.930
227 HD11 ILE 28 HD11 ILE 28 2.515 -8.260 2.454
228 HD12 ILE 28 HD12 ILE 28 1.499 -9.515 1.752
229 HD13 ILE 28 HD13 ILE 28 1.150 -7.818 1.432
230 H ASN 29 H ASN 29 5.826 -9.333 0.463
231 HA ASN 29 HA ASN 29 8.502 -8.848 1.085
232 HB2 ASN 29 HB2 ASN 29 7.382 -10.577 -1.128
233 HB3 ASN 29 HB3 ASN 29 9.030 -10.647 -0.518
234 HD21 ASN 29 HD21 ASN 29 5.729 -11.457 0.050
235 HD22 ASN 29 HD22 ASN 29 5.994 -12.438 1.449
236 H GLY 30 H GLY 30 8.974 -6.728 0.498
237 HA2 GLY 30 HA2 GLY 30 10.430 -5.529 -0.921
238 HA3 GLY 30 HA3 GLY 30 9.869 -6.493 -2.276
239 H LYS 31 H LYS 31 7.009 -5.945 -1.173
240 HA LYS 31 HA LYS 31 6.809 -3.364 -2.609
241 HB2 LYS 31 HB2 LYS 31 4.980 -5.754 -2.901
242 HB3 LYS 31 HB3 LYS 31 4.732 -4.193 -3.658
243 HG2 LYS 31 HG2 LYS 31 7.105 -5.967 -4.163
244 HG3 LYS 31 HG3 LYS 31 5.656 -5.920 -5.166
245 HD2 LYS 31 HD2 LYS 31 6.084 -3.453 -5.467
246 HD3 LYS 31 HD3 LYS 31 7.648 -3.713 -4.692
247 HE2 LYS 31 HE2 LYS 31 6.674 -5.097 -7.187
248 HE3 LYS 31 HE3 LYS 31 7.810 -3.753 -7.142
249 HZ1 LYS 31 HZ1 LYS 31 8.972 -5.837 -7.360
250 HZ2 LYS 31 HZ2 LYS 31 8.238 -6.444 -5.966
251 HZ3 LYS 31 HZ3 LYS 31 9.323 -5.156 -5.854
252 H CYS 32 H CYS 32 4.665 -2.297 -2.295
253 HA CYS 32 HA CYS 32 3.617 -2.746 0.403
254 HB2 CYS 32 HB2 CYS 32 3.140 -0.509 -1.593
255 HB3 CYS 32 HB3 CYS 32 2.311 -0.647 -0.050
256 H ASP 33 H ASP 33 1.899 -4.048 0.609
257 HA ASP 33 HA ASP 33 0.097 -4.265 -1.708
258 HB2 ASP 33 HB2 ASP 33 1.003 -6.418 -1.137
259 HB3 ASP 33 HB3 ASP 33 0.540 -6.216 0.554
260 H CYS 34 H CYS 34 -1.828 -3.422 -1.562
261 HA CYS 34 HA CYS 34 -2.712 -2.409 1.015
262 HB2 CYS 34 HB2 CYS 34 -3.658 -1.910 -1.793
263 HB3 CYS 34 HB3 CYS 34 -4.504 -1.299 -0.383
264 H THR 35 H THR 35 -4.742 -2.791 1.859
265 HA THR 35 HA THR 35 -5.948 -5.331 1.050
266 HB THR 35 HB THR 35 -6.423 -3.605 3.472
267 HG1 THR 35 HG1 THR 35 -4.595 -5.602 2.867
268 HG21 THR 35 HG21 THR 35 -8.371 -4.947 2.969
269 HG22 THR 35 HG22 THR 35 -7.551 -5.594 4.392
270 HG23 THR 35 HG23 THR 35 -7.368 -6.394 2.832
271 HA PRO 36 HA PRO 36 -8.956 -2.730 -0.966
272 HB2 PRO 36 HB2 PRO 36 -10.374 -4.657 -2.133
273 HB3 PRO 36 HB3 PRO 36 -8.748 -4.259 -2.674
274 HG2 PRO 36 HG2 PRO 36 -9.630 -6.484 -0.878
275 HG3 PRO 36 HG3 PRO 36 -8.530 -6.541 -2.270
276 HD2 PRO 36 HD2 PRO 36 -7.651 -6.393 0.278
277 HD3 PRO 36 HD3 PRO 36 -6.767 -5.671 -1.076
278 H LYS 37 H LYS 37 -10.958 -2.018 -0.531
279 HA LYS 37 HA LYS 37 -12.136 -2.638 1.962
280 HB2 LYS 37 HB2 LYS 37 -13.238 -1.036 -0.356
281 HB3 LYS 37 HB3 LYS 37 -13.860 -1.015 1.288
282 HG2 LYS 37 HG2 LYS 37 -11.922 0.054 2.112
283 HG3 LYS 37 HG3 LYS 37 -11.035 -0.243 0.619
284 HD2 LYS 37 HD2 LYS 37 -11.720 2.076 0.724
285 HD3 LYS 37 HD3 LYS 37 -12.584 1.254 -0.575
286 HE2 LYS 37 HE2 LYS 37 -14.123 2.666 0.603
287 HE3 LYS 37 HE3 LYS 37 -14.518 0.986 0.953
288 HZ1 LYS 37 HZ1 LYS 37 -14.612 2.278 2.954
289 HZ2 LYS 37 HZ2 LYS 37 -13.037 2.851 2.723
290 HZ3 LYS 37 HZ3 LYS 37 -13.302 1.216 3.056
Start of MODEL 9
1 H1 VAL 1 H1 VAL 1 -4.311 -7.376 -4.883
2 H2 VAL 1 H2 VAL 1 -4.123 -6.714 -6.430
3 H3 VAL 1 H3 VAL 1 -5.651 -7.197 -5.898
4 HA VAL 1 HA VAL 1 -5.356 -4.792 -5.850
5 HB VAL 1 HB VAL 1 -6.123 -4.425 -3.531
6 HG11 VAL 1 HG11 VAL 1 -8.158 -5.681 -3.748
7 HG12 VAL 1 HG12 VAL 1 -7.383 -6.845 -4.816
8 HG13 VAL 1 HG13 VAL 1 -7.634 -5.184 -5.354
9 HG21 VAL 1 HG21 VAL 1 -4.628 -6.133 -2.522
10 HG22 VAL 1 HG22 VAL 1 -5.686 -7.383 -3.174
11 HG23 VAL 1 HG23 VAL 1 -6.302 -6.239 -1.982
12 H GLY 2 H GLY 2 -2.602 -6.245 -5.366
13 HA2 GLY 2 HA2 GLY 2 -1.387 -4.416 -3.474
14 HA3 GLY 2 HA3 GLY 2 -0.566 -5.673 -4.391
15 H ILE 3 H ILE 3 0.396 -3.019 -4.063
16 HA ILE 3 HA ILE 3 0.004 -1.906 -6.758
17 HB ILE 3 HB ILE 3 0.731 0.278 -5.733
18 HG12 ILE 3 HG12 ILE 3 0.254 -1.260 -3.172
19 HG13 ILE 3 HG13 ILE 3 1.785 -0.582 -3.714
20 HG21 ILE 3 HG21 ILE 3 -1.483 0.717 -4.692
21 HG22 ILE 3 HG22 ILE 3 -1.820 -1.012 -4.780
22 HG23 ILE 3 HG23 ILE 3 -1.578 -0.084 -6.261
23 HD11 ILE 3 HD11 ILE 3 0.954 1.646 -3.445
24 HD12 ILE 3 HD12 ILE 3 0.672 0.743 -1.957
25 HD13 ILE 3 HD13 ILE 3 -0.659 1.044 -3.074
26 H ASN 4 H ASN 4 1.883 -0.683 -7.574
27 HA ASN 4 HA ASN 4 4.192 -2.408 -7.406
28 HB2 ASN 4 HB2 ASN 4 4.979 -1.376 -9.374
29 HB3 ASN 4 HB3 ASN 4 3.234 -1.440 -9.566
30 HD21 ASN 4 HD21 ASN 4 2.694 0.825 -7.816
31 HD22 ASN 4 HD22 ASN 4 3.213 2.233 -8.666
32 H VAL 5 H VAL 5 3.473 -0.506 -5.186
33 HA VAL 5 HA VAL 5 5.708 1.351 -5.156
34 HB VAL 5 HB VAL 5 3.615 0.805 -3.042
35 HG11 VAL 5 HG11 VAL 5 4.330 2.926 -2.061
36 HG12 VAL 5 HG12 VAL 5 5.592 3.071 -3.286
37 HG13 VAL 5 HG13 VAL 5 5.655 1.763 -2.105
38 HG21 VAL 5 HG21 VAL 5 2.551 2.846 -3.803
39 HG22 VAL 5 HG22 VAL 5 2.665 1.686 -5.128
40 HG23 VAL 5 HG23 VAL 5 3.781 3.049 -5.049
41 H LYS 6 H LYS 6 7.577 1.031 -4.100
42 HA LYS 6 HA LYS 6 8.135 -1.543 -2.985
43 HB2 LYS 6 HB2 LYS 6 9.786 0.991 -2.984
44 HB3 LYS 6 HB3 LYS 6 10.362 -0.589 -2.481
45 HG2 LYS 6 HG2 LYS 6 10.016 -1.450 -4.731
46 HG3 LYS 6 HG3 LYS 6 9.404 0.123 -5.243
47 HD2 LYS 6 HD2 LYS 6 11.709 -0.090 -5.918
48 HD3 LYS 6 HD3 LYS 6 11.586 1.125 -4.645
49 HE2 LYS 6 HE2 LYS 6 12.302 -0.556 -2.998
50 HE3 LYS 6 HE3 LYS 6 12.461 -1.742 -4.293
51 HZ1 LYS 6 HZ1 LYS 6 14.593 -0.780 -3.748
52 HZ2 LYS 6 HZ2 LYS 6 14.008 0.780 -4.035
53 HZ3 LYS 6 HZ3 LYS 6 14.144 -0.320 -5.310
54 H CYS 7 H CYS 7 8.165 -2.164 -0.930
55 HA CYS 7 HA CYS 7 6.913 -0.613 1.088
56 HB2 CYS 7 HB2 CYS 7 6.678 -2.940 1.329
57 HB3 CYS 7 HB3 CYS 7 8.399 -3.232 1.097
58 H LYS 8 H LYS 8 8.014 1.283 1.616
59 HA LYS 8 HA LYS 8 10.808 1.080 2.380
60 HB2 LYS 8 HB2 LYS 8 8.904 3.429 2.270
61 HB3 LYS 8 HB3 LYS 8 10.584 3.542 2.776
62 HG2 LYS 8 HG2 LYS 8 11.333 2.837 0.593
63 HG3 LYS 8 HG3 LYS 8 9.668 2.584 0.072
64 HD2 LYS 8 HD2 LYS 8 9.195 4.902 0.152
65 HD3 LYS 8 HD3 LYS 8 10.687 5.246 1.025
66 HE2 LYS 8 HE2 LYS 8 10.557 4.176 -1.789
67 HE3 LYS 8 HE3 LYS 8 10.768 5.876 -1.376
68 HZ1 LYS 8 HZ1 LYS 8 12.892 4.887 -1.826
69 HZ2 LYS 8 HZ2 LYS 8 12.621 3.652 -0.707
70 HZ3 LYS 8 HZ3 LYS 8 12.808 5.247 -0.176
71 H HIS 9 H HIS 9 7.654 1.857 3.793
72 HA HIS 9 HA HIS 9 8.554 0.938 6.398
73 HB2 HIS 9 HB2 HIS 9 7.335 3.700 6.116
74 HB3 HIS 9 HB3 HIS 9 7.925 2.947 7.593
75 HD1 HIS 9 HD1 HIS 9 9.019 4.799 4.582
76 HD2 HIS 9 HD2 HIS 9 10.753 2.940 7.865
77 HE1 HIS 9 HE1 HIS 9 11.447 5.364 4.456
78 HE2 HIS 9 HE2 HIS 9 12.447 4.410 6.574
79 H SER 10 H SER 10 6.921 -0.064 7.439
80 HA SER 10 HA SER 10 4.499 -0.501 6.014
81 HB2 SER 10 HB2 SER 10 3.911 -1.882 8.030
82 HB3 SER 10 HB3 SER 10 5.446 -2.300 7.270
83 HG SER 10 HG SER 10 5.642 -0.381 9.235
84 H GLY 11 H GLY 11 2.830 0.814 5.975
85 HA2 GLY 11 HA2 GLY 11 1.061 1.948 7.214
86 HA3 GLY 11 HA3 GLY 11 2.296 2.495 8.342
87 H GLN 12 H GLN 12 4.175 3.028 6.110
88 HA GLN 12 HA GLN 12 3.423 5.741 5.623
89 HB2 GLN 12 HB2 GLN 12 5.783 4.972 5.912
90 HB3 GLN 12 HB3 GLN 12 5.671 4.153 4.356
91 HG2 GLN 12 HG2 GLN 12 5.195 6.350 3.307
92 HG3 GLN 12 HG3 GLN 12 5.476 7.109 4.872
93 HE21 GLN 12 HE21 GLN 12 6.922 5.511 2.163
94 HE22 GLN 12 HE22 GLN 12 8.561 5.918 2.548
95 H CYS 13 H CYS 13 2.932 2.771 4.028
96 HA CYS 13 HA CYS 13 2.734 3.867 1.372
97 HB2 CYS 13 HB2 CYS 13 3.535 1.537 1.879
98 HB3 CYS 13 HB3 CYS 13 1.882 1.130 2.326
99 H LEU 14 H LEU 14 0.853 4.350 3.880
100 HA LEU 14 HA LEU 14 -1.744 3.685 2.940
101 HB2 LEU 14 HB2 LEU 14 -0.573 5.181 5.161
102 HB3 LEU 14 HB3 LEU 14 -2.094 5.836 4.604
103 HG LEU 14 HG LEU 14 -2.390 4.268 6.474
104 HD11 LEU 14 HD11 LEU 14 -4.073 4.589 4.661
105 HD12 LEU 14 HD12 LEU 14 -4.208 3.070 5.545
106 HD13 LEU 14 HD13 LEU 14 -3.486 3.096 3.935
107 HD21 LEU 14 HD21 LEU 14 -1.414 2.131 4.586
108 HD22 LEU 14 HD22 LEU 14 -1.931 1.928 6.259
109 HD23 LEU 14 HD23 LEU 14 -0.447 2.808 5.896
110 H LYS 15 H LYS 15 0.431 6.327 2.416
111 HA LYS 15 HA LYS 15 -1.449 8.165 1.371
112 HB2 LYS 15 HB2 LYS 15 1.508 8.005 0.782
113 HB3 LYS 15 HB3 LYS 15 0.469 9.392 0.509
114 HG2 LYS 15 HG2 LYS 15 1.118 8.188 3.191
115 HG3 LYS 15 HG3 LYS 15 1.842 9.646 2.510
116 HD2 LYS 15 HD2 LYS 15 -0.370 10.703 2.456
117 HD3 LYS 15 HD3 LYS 15 -1.076 9.250 3.163
118 HE2 LYS 15 HE2 LYS 15 -0.705 10.963 4.860
119 HE3 LYS 15 HE3 LYS 15 0.297 9.543 5.158
120 HZ1 LYS 15 HZ1 LYS 15 1.555 11.563 5.477
121 HZ2 LYS 15 HZ2 LYS 15 1.200 12.081 3.909
122 HZ3 LYS 15 HZ3 LYS 15 2.167 10.716 4.148
123 HA PRO 16 HA PRO 16 -0.240 6.627 -3.016
124 HB2 PRO 16 HB2 PRO 16 1.139 4.315 -3.290
125 HB3 PRO 16 HB3 PRO 16 1.932 5.887 -3.135
126 HG2 PRO 16 HG2 PRO 16 1.445 3.795 -1.048
127 HG3 PRO 16 HG3 PRO 16 2.913 4.741 -1.362
128 HD2 PRO 16 HD2 PRO 16 1.183 5.372 0.615
129 HD3 PRO 16 HD3 PRO 16 2.097 6.602 -0.278
130 H CYS 17 H CYS 17 -1.166 4.460 -0.485
131 HA CYS 17 HA CYS 17 -2.414 2.543 -2.222
132 HB2 CYS 17 HB2 CYS 17 -1.456 1.959 0.002
133 HB3 CYS 17 HB3 CYS 17 -2.756 2.875 0.759
134 H LYS 18 H LYS 18 -3.498 5.322 -0.310
135 HA LYS 18 HA LYS 18 -6.257 4.742 -0.583
136 HB2 LYS 18 HB2 LYS 18 -6.635 7.053 0.146
137 HB3 LYS 18 HB3 LYS 18 -5.493 6.216 1.181
138 HG2 LYS 18 HG2 LYS 18 -3.680 7.434 0.360
139 HG3 LYS 18 HG3 LYS 18 -4.574 7.976 -1.062
140 HD2 LYS 18 HD2 LYS 18 -4.287 9.765 0.607
141 HD3 LYS 18 HD3 LYS 18 -5.984 9.380 0.325
142 HE2 LYS 18 HE2 LYS 18 -5.624 9.671 2.686
143 HE3 LYS 18 HE3 LYS 18 -5.957 7.972 2.362
144 HZ1 LYS 18 HZ1 LYS 18 -3.579 7.531 2.485
145 HZ2 LYS 18 HZ2 LYS 18 -4.144 8.227 3.919
146 HZ3 LYS 18 HZ3 LYS 18 -3.278 9.166 2.812
147 H LYS 19 H LYS 19 -3.945 6.227 -2.697
148 HA LYS 19 HA LYS 19 -5.974 7.474 -4.356
149 HB2 LYS 19 HB2 LYS 19 -4.200 8.267 -5.721
150 HB3 LYS 19 HB3 LYS 19 -3.631 8.373 -4.066
151 HG2 LYS 19 HG2 LYS 19 -2.240 6.475 -4.320
152 HG3 LYS 19 HG3 LYS 19 -2.958 6.088 -5.882
153 HD2 LYS 19 HD2 LYS 19 -0.813 7.082 -6.263
154 HD3 LYS 19 HD3 LYS 19 -2.049 8.231 -6.763
155 HE2 LYS 19 HE2 LYS 19 -0.858 8.359 -4.017
156 HE3 LYS 19 HE3 LYS 19 -0.016 9.065 -5.391
157 HZ1 LYS 19 HZ1 LYS 19 -1.993 10.423 -5.820
158 HZ2 LYS 19 HZ2 LYS 19 -1.332 10.723 -4.297
159 HZ3 LYS 19 HZ3 LYS 19 -2.733 9.792 -4.437
160 H ALA 20 H ALA 20 -4.454 4.511 -3.970
161 HA ALA 20 HA ALA 20 -4.942 3.443 -6.593
162 HB1 ALA 20 HB1 ALA 20 -4.320 2.082 -3.972
163 HB2 ALA 20 HB2 ALA 20 -3.159 2.526 -5.227
164 HB3 ALA 20 HB3 ALA 20 -4.368 1.282 -5.545
165 H GLY 21 H GLY 21 -6.880 4.256 -4.009
166 HA2 GLY 21 HA2 GLY 21 -9.198 4.052 -3.896
167 HA3 GLY 21 HA3 GLY 21 -9.128 2.799 -5.129
168 H MET 22 H MET 22 -6.839 2.184 -2.777
169 HA MET 22 HA MET 22 -8.544 0.053 -1.744
170 HB2 MET 22 HB2 MET 22 -5.551 0.388 -1.486
171 HB3 MET 22 HB3 MET 22 -6.485 -1.007 -0.981
172 HG2 MET 22 HG2 MET 22 -6.117 -0.030 -3.795
173 HG3 MET 22 HG3 MET 22 -5.415 -1.473 -3.066
174 HE1 MET 22 HE1 MET 22 -7.210 -1.202 -5.823
175 HE2 MET 22 HE2 MET 22 -8.114 -2.713 -5.723
176 HE3 MET 22 HE3 MET 22 -6.395 -2.686 -5.328
177 H ARG 23 H ARG 23 -7.705 -0.600 0.623
178 HA ARG 23 HA ARG 23 -8.655 1.685 2.156
179 HB2 ARG 23 HB2 ARG 23 -9.623 -0.664 2.300
180 HB3 ARG 23 HB3 ARG 23 -8.171 -1.103 3.184
181 HG2 ARG 23 HG2 ARG 23 -8.825 -0.050 5.056
182 HG3 ARG 23 HG3 ARG 23 -9.599 1.267 4.174
183 HD2 ARG 23 HD2 ARG 23 -11.156 -0.226 5.458
184 HD3 ARG 23 HD3 ARG 23 -11.534 -0.038 3.750
185 HE ARG 23 HE ARG 23 -10.398 -2.251 3.455
186 HH11 ARG 23 HH11 ARG 23 -11.842 -1.359 6.525
187 HH12 ARG 23 HH12 ARG 23 -12.157 -2.997 6.990
188 HH21 ARG 23 HH21 ARG 23 -10.813 -4.393 4.070
189 HH22 ARG 23 HH22 ARG 23 -11.583 -4.727 5.585
190 H PHE 24 H PHE 24 -6.261 -0.818 3.071
191 HA PHE 24 HA PHE 24 -4.488 1.375 3.918
192 HB2 PHE 24 HB2 PHE 24 -3.973 -1.155 5.277
193 HB3 PHE 24 HB3 PHE 24 -4.127 0.462 5.946
194 HD1 PHE 24 HD1 PHE 24 -5.882 -2.579 5.014
195 HD2 PHE 24 HD2 PHE 24 -6.205 1.203 6.912
196 HE1 PHE 24 HE1 PHE 24 -8.035 -3.252 5.944
197 HE2 PHE 24 HE2 PHE 24 -8.370 0.533 7.884
198 HZ PHE 24 HZ PHE 24 -9.289 -1.704 7.402
199 H GLY 25 H GLY 25 -2.257 0.947 3.743
200 HA2 GLY 25 HA2 GLY 25 -1.585 -1.024 1.682
201 HA3 GLY 25 HA3 GLY 25 -0.687 0.455 1.993
202 H LYS 26 H LYS 26 -0.820 -2.831 2.517
203 HA LYS 26 HA LYS 26 0.705 -2.809 5.003
204 HB2 LYS 26 HB2 LYS 26 -1.107 -4.511 4.511
205 HB3 LYS 26 HB3 LYS 26 -0.050 -5.154 3.267
206 HG2 LYS 26 HG2 LYS 26 1.667 -5.524 5.070
207 HG3 LYS 26 HG3 LYS 26 0.389 -5.161 6.232
208 HD2 LYS 26 HD2 LYS 26 0.336 -7.354 4.161
209 HD3 LYS 26 HD3 LYS 26 0.619 -7.568 5.887
210 HE2 LYS 26 HE2 LYS 26 -1.898 -6.450 4.660
211 HE3 LYS 26 HE3 LYS 26 -1.692 -8.106 5.225
212 HZ1 LYS 26 HZ1 LYS 26 -2.808 -6.727 6.865
213 HZ2 LYS 26 HZ2 LYS 26 -1.487 -5.675 6.917
214 HZ3 LYS 26 HZ3 LYS 26 -1.319 -7.271 7.452
215 H CYS 27 H CYS 27 2.776 -3.801 5.127
216 HA CYS 27 HA CYS 27 4.351 -3.417 2.713
217 HB2 CYS 27 HB2 CYS 27 4.880 -3.350 5.575
218 HB3 CYS 27 HB3 CYS 27 6.094 -4.267 4.687
219 H ILE 28 H ILE 28 4.782 -4.998 1.394
220 HA ILE 28 HA ILE 28 4.762 -7.757 2.403
221 HB ILE 28 HB ILE 28 3.350 -6.666 0.271
222 HG12 ILE 28 HG12 ILE 28 2.801 -9.023 -0.271
223 HG13 ILE 28 HG13 ILE 28 4.089 -9.546 0.808
224 HG21 ILE 28 HG21 ILE 28 5.647 -8.278 -0.861
225 HG22 ILE 28 HG22 ILE 28 5.347 -6.554 -1.110
226 HG23 ILE 28 HG23 ILE 28 4.211 -7.744 -1.745
227 HD11 ILE 28 HD11 ILE 28 2.890 -8.372 2.658
228 HD12 ILE 28 HD12 ILE 28 2.020 -9.735 1.962
229 HD13 ILE 28 HD13 ILE 28 1.564 -8.090 1.536
230 H ASN 29 H ASN 29 6.349 -9.197 1.222
231 HA ASN 29 HA ASN 29 8.954 -8.494 1.414
232 HB2 ASN 29 HB2 ASN 29 8.661 -10.744 1.028
233 HB3 ASN 29 HB3 ASN 29 7.488 -10.483 -0.255
234 HD21 ASN 29 HD21 ASN 29 8.145 -10.357 -2.316
235 HD22 ASN 29 HD22 ASN 29 9.773 -10.588 -2.827
236 H GLY 30 H GLY 30 9.536 -6.533 0.771
237 HA2 GLY 30 HA2 GLY 30 10.645 -5.134 -0.694
238 HA3 GLY 30 HA3 GLY 30 10.229 -6.226 -2.002
239 H LYS 31 H LYS 31 7.264 -5.922 -1.092
240 HA LYS 31 HA LYS 31 6.930 -3.457 -2.694
241 HB2 LYS 31 HB2 LYS 31 5.295 -5.987 -2.963
242 HB3 LYS 31 HB3 LYS 31 5.128 -4.528 -3.926
243 HG2 LYS 31 HG2 LYS 31 7.594 -6.249 -3.877
244 HG3 LYS 31 HG3 LYS 31 6.306 -6.387 -5.071
245 HD2 LYS 31 HD2 LYS 31 6.706 -4.035 -5.721
246 HD3 LYS 31 HD3 LYS 31 8.056 -3.979 -4.583
247 HE2 LYS 31 HE2 LYS 31 9.181 -5.757 -5.803
248 HE3 LYS 31 HE3 LYS 31 7.816 -5.886 -6.909
249 HZ1 LYS 31 HZ1 LYS 31 8.250 -3.580 -7.592
250 HZ2 LYS 31 HZ2 LYS 31 9.552 -4.608 -7.918
251 HZ3 LYS 31 HZ3 LYS 31 9.621 -3.552 -6.602
252 H CYS 32 H CYS 32 4.373 -3.026 -2.750
253 HA CYS 32 HA CYS 32 3.498 -3.037 0.056
254 HB2 CYS 32 HB2 CYS 32 3.997 -0.785 -0.848
255 HB3 CYS 32 HB3 CYS 32 2.796 -1.038 -2.112
256 H ASP 33 H ASP 33 1.952 -4.420 0.405
257 HA ASP 33 HA ASP 33 0.025 -4.993 -1.742
258 HB2 ASP 33 HB2 ASP 33 1.069 -6.984 -0.926
259 HB3 ASP 33 HB3 ASP 33 0.730 -6.554 0.746
260 H CYS 34 H CYS 34 -1.821 -3.999 -1.645
261 HA CYS 34 HA CYS 34 -2.577 -2.620 0.792
262 HB2 CYS 34 HB2 CYS 34 -3.493 -2.472 -2.052
263 HB3 CYS 34 HB3 CYS 34 -4.445 -1.746 -0.767
264 H THR 35 H THR 35 -4.643 -2.683 1.691
265 HA THR 35 HA THR 35 -6.029 -5.253 1.352
266 HB THR 35 HB THR 35 -6.431 -3.066 3.393
267 HG1 THR 35 HG1 THR 35 -4.588 -5.071 3.201
268 HG21 THR 35 HG21 THR 35 -8.428 -4.443 3.037
269 HG22 THR 35 HG22 THR 35 -7.720 -4.721 4.635
270 HG23 THR 35 HG23 THR 35 -7.471 -5.897 3.347
271 HA PRO 36 HA PRO 36 -9.033 -3.060 -1.099
272 HB2 PRO 36 HB2 PRO 36 -10.889 -5.256 -0.688
273 HB3 PRO 36 HB3 PRO 36 -10.058 -4.756 -2.160
274 HG2 PRO 36 HG2 PRO 36 -9.495 -7.061 -0.810
275 HG3 PRO 36 HG3 PRO 36 -8.330 -6.204 -1.830
276 HD2 PRO 36 HD2 PRO 36 -8.574 -6.255 1.139
277 HD3 PRO 36 HD3 PRO 36 -7.122 -6.177 0.121
278 H LYS 37 H LYS 37 -11.306 -2.427 -0.971
279 HA LYS 37 HA LYS 37 -12.035 -1.548 1.663
280 HB2 LYS 37 HB2 LYS 37 -13.496 -1.297 -0.977
281 HB3 LYS 37 HB3 LYS 37 -13.945 -0.477 0.509
282 HG2 LYS 37 HG2 LYS 37 -11.286 -0.095 -0.840
283 HG3 LYS 37 HG3 LYS 37 -12.701 0.902 -1.180
284 HD2 LYS 37 HD2 LYS 37 -12.804 1.531 1.196
285 HD3 LYS 37 HD3 LYS 37 -11.361 0.562 1.503
286 HE2 LYS 37 HE2 LYS 37 -10.836 2.949 1.269
287 HE3 LYS 37 HE3 LYS 37 -10.062 1.976 0.021
288 HZ1 LYS 37 HZ1 LYS 37 -11.770 2.649 -1.531
289 HZ2 LYS 37 HZ2 LYS 37 -11.026 4.013 -0.868
290 HZ3 LYS 37 HZ3 LYS 37 -12.558 3.544 -0.333
Start of MODEL 10
1 H1 VAL 1 H1 VAL 1 -4.326 -8.112 -5.368
2 H2 VAL 1 H2 VAL 1 -4.524 -7.349 -6.862
3 H3 VAL 1 H3 VAL 1 -5.842 -7.514 -5.817
4 HA VAL 1 HA VAL 1 -4.970 -5.262 -5.805
5 HB VAL 1 HB VAL 1 -4.743 -4.975 -3.406
6 HG11 VAL 1 HG11 VAL 1 -6.976 -5.341 -4.168
7 HG12 VAL 1 HG12 VAL 1 -6.768 -6.238 -2.666
8 HG13 VAL 1 HG13 VAL 1 -6.735 -7.085 -4.209
9 HG21 VAL 1 HG21 VAL 1 -3.171 -6.807 -3.014
10 HG22 VAL 1 HG22 VAL 1 -4.471 -7.973 -3.254
11 HG23 VAL 1 HG23 VAL 1 -4.529 -6.855 -1.891
12 H GLY 2 H GLY 2 -3.191 -3.949 -4.607
13 HA2 GLY 2 HA2 GLY 2 -0.809 -4.151 -3.872
14 HA3 GLY 2 HA3 GLY 2 -0.587 -5.165 -5.292
15 H ILE 3 H ILE 3 0.554 -2.510 -4.395
16 HA ILE 3 HA ILE 3 -0.155 -0.955 -6.791
17 HB ILE 3 HB ILE 3 0.693 1.033 -5.471
18 HG12 ILE 3 HG12 ILE 3 0.432 -0.935 -3.186
19 HG13 ILE 3 HG13 ILE 3 1.916 -0.165 -3.734
20 HG21 ILE 3 HG21 ILE 3 -1.417 1.324 -4.254
21 HG22 ILE 3 HG22 ILE 3 -1.761 -0.394 -4.455
22 HG23 ILE 3 HG23 ILE 3 -1.674 0.658 -5.867
23 HD11 ILE 3 HD11 ILE 3 1.032 2.006 -3.061
24 HD12 ILE 3 HD12 ILE 3 1.080 0.875 -1.710
25 HD13 ILE 3 HD13 ILE 3 -0.452 1.232 -2.510
26 H ASN 4 H ASN 4 1.656 0.424 -7.572
27 HA ASN 4 HA ASN 4 3.941 -1.260 -7.997
28 HB2 ASN 4 HB2 ASN 4 4.628 0.290 -9.665
29 HB3 ASN 4 HB3 ASN 4 2.879 0.186 -9.770
30 HD21 ASN 4 HD21 ASN 4 2.419 1.919 -7.450
31 HD22 ASN 4 HD22 ASN 4 2.805 3.519 -7.973
32 H VAL 5 H VAL 5 3.723 -0.425 -5.308
33 HA VAL 5 HA VAL 5 6.019 1.398 -4.996
34 HB VAL 5 HB VAL 5 3.814 0.903 -2.986
35 HG11 VAL 5 HG11 VAL 5 4.667 2.882 -1.867
36 HG12 VAL 5 HG12 VAL 5 5.909 3.069 -3.105
37 HG13 VAL 5 HG13 VAL 5 5.938 1.669 -2.030
38 HG21 VAL 5 HG21 VAL 5 2.797 2.948 -3.626
39 HG22 VAL 5 HG22 VAL 5 3.005 1.984 -5.089
40 HG23 VAL 5 HG23 VAL 5 4.105 3.322 -4.749
41 H LYS 6 H LYS 6 7.544 0.855 -3.393
42 HA LYS 6 HA LYS 6 7.417 -1.922 -2.448
43 HB2 LYS 6 HB2 LYS 6 9.760 -0.116 -3.028
44 HB3 LYS 6 HB3 LYS 6 9.922 -1.633 -2.153
45 HG2 LYS 6 HG2 LYS 6 9.089 -2.863 -4.067
46 HG3 LYS 6 HG3 LYS 6 8.823 -1.357 -4.944
47 HD2 LYS 6 HD2 LYS 6 11.522 -2.223 -3.932
48 HD3 LYS 6 HD3 LYS 6 10.922 -2.620 -5.542
49 HE2 LYS 6 HE2 LYS 6 11.249 0.171 -4.443
50 HE3 LYS 6 HE3 LYS 6 12.377 -0.630 -5.534
51 HZ1 LYS 6 HZ1 LYS 6 9.536 -0.014 -6.147
52 HZ2 LYS 6 HZ2 LYS 6 10.633 -0.761 -7.192
53 HZ3 LYS 6 HZ3 LYS 6 10.874 0.843 -6.722
54 H CYS 7 H CYS 7 7.917 -2.378 -0.288
55 HA CYS 7 HA CYS 7 6.841 -0.444 1.489
56 HB2 CYS 7 HB2 CYS 7 6.354 -2.673 2.052
57 HB3 CYS 7 HB3 CYS 7 8.035 -3.174 1.901
58 H LYS 8 H LYS 8 8.236 1.384 1.495
59 HA LYS 8 HA LYS 8 10.805 1.013 2.808
60 HB2 LYS 8 HB2 LYS 8 9.353 3.485 1.839
61 HB3 LYS 8 HB3 LYS 8 10.916 3.517 2.642
62 HG2 LYS 8 HG2 LYS 8 11.910 2.240 0.846
63 HG3 LYS 8 HG3 LYS 8 10.339 2.077 0.060
64 HD2 LYS 8 HD2 LYS 8 11.683 4.720 0.603
65 HD3 LYS 8 HD3 LYS 8 11.825 3.840 -0.918
66 HE2 LYS 8 HE2 LYS 8 9.384 3.945 -1.186
67 HE3 LYS 8 HE3 LYS 8 9.267 4.856 0.317
68 HZ1 LYS 8 HZ1 LYS 8 9.201 6.335 -1.566
69 HZ2 LYS 8 HZ2 LYS 8 10.666 5.731 -2.151
70 HZ3 LYS 8 HZ3 LYS 8 10.628 6.595 -0.700
71 H HIS 9 H HIS 9 7.609 2.360 3.329
72 HA HIS 9 HA HIS 9 7.839 1.980 6.207
73 HB2 HIS 9 HB2 HIS 9 6.930 4.642 5.071
74 HB3 HIS 9 HB3 HIS 9 7.109 4.221 6.768
75 HD1 HIS 9 HD1 HIS 9 9.107 5.076 3.717
76 HD2 HIS 9 HD2 HIS 9 9.681 4.503 7.787
77 HE1 HIS 9 HE1 HIS 9 11.476 5.729 4.148
78 HE2 HIS 9 HE2 HIS 9 11.849 5.257 6.595
79 H SER 10 H SER 10 5.970 1.081 6.894
80 HA SER 10 HA SER 10 3.898 0.532 5.044
81 HB2 SER 10 HB2 SER 10 2.744 -0.420 7.111
82 HB3 SER 10 HB3 SER 10 4.327 -1.091 6.723
83 HG SER 10 HG SER 10 3.593 0.650 8.804
84 H GLY 11 H GLY 11 4.409 3.085 7.325
85 HA2 GLY 11 HA2 GLY 11 1.710 4.056 7.306
86 HA3 GLY 11 HA3 GLY 11 3.134 4.945 7.831
87 H GLN 12 H GLN 12 4.597 4.620 5.396
88 HA GLN 12 HA GLN 12 3.560 6.814 3.899
89 HB2 GLN 12 HB2 GLN 12 5.947 6.516 4.044
90 HB3 GLN 12 HB3 GLN 12 5.840 4.893 3.366
91 HG2 GLN 12 HG2 GLN 12 5.069 5.856 1.248
92 HG3 GLN 12 HG3 GLN 12 5.229 7.469 1.939
93 HE21 GLN 12 HE21 GLN 12 7.627 6.905 3.401
94 HE22 GLN 12 HE22 GLN 12 8.901 6.805 2.236
95 H CYS 13 H CYS 13 3.392 3.376 3.678
96 HA CYS 13 HA CYS 13 2.860 3.062 0.945
97 HB2 CYS 13 HB2 CYS 13 3.496 1.290 2.652
98 HB3 CYS 13 HB3 CYS 13 1.810 1.300 3.158
99 H LEU 14 H LEU 14 0.939 4.273 3.483
100 HA LEU 14 HA LEU 14 -1.632 3.619 2.450
101 HB2 LEU 14 HB2 LEU 14 -0.522 5.242 4.634
102 HB3 LEU 14 HB3 LEU 14 -2.048 5.813 3.998
103 HG LEU 14 HG LEU 14 -3.081 3.643 4.496
104 HD11 LEU 14 HD11 LEU 14 -1.186 2.181 4.214
105 HD12 LEU 14 HD12 LEU 14 -1.836 1.991 5.844
106 HD13 LEU 14 HD13 LEU 14 -0.364 2.928 5.584
107 HD21 LEU 14 HD21 LEU 14 -3.080 5.432 6.181
108 HD22 LEU 14 HD22 LEU 14 -1.597 4.770 6.863
109 HD23 LEU 14 HD23 LEU 14 -3.085 3.825 6.907
110 H LYS 15 H LYS 15 0.622 6.231 1.968
111 HA LYS 15 HA LYS 15 -1.108 8.183 0.974
112 HB2 LYS 15 HB2 LYS 15 1.806 7.711 0.359
113 HB3 LYS 15 HB3 LYS 15 0.918 9.145 -0.126
114 HG2 LYS 15 HG2 LYS 15 0.568 9.774 2.155
115 HG3 LYS 15 HG3 LYS 15 1.249 8.250 2.727
116 HD2 LYS 15 HD2 LYS 15 2.882 10.033 2.949
117 HD3 LYS 15 HD3 LYS 15 3.417 8.866 1.740
118 HE2 LYS 15 HE2 LYS 15 3.847 11.068 0.905
119 HE3 LYS 15 HE3 LYS 15 2.523 10.375 -0.025
120 HZ1 LYS 15 HZ1 LYS 15 0.965 11.640 1.330
121 HZ2 LYS 15 HZ2 LYS 15 2.068 12.665 0.562
122 HZ3 LYS 15 HZ3 LYS 15 2.246 12.313 2.207
123 HA PRO 16 HA PRO 16 -0.468 6.647 -3.483
124 HB2 PRO 16 HB2 PRO 16 0.853 4.362 -4.012
125 HB3 PRO 16 HB3 PRO 16 1.689 5.907 -3.823
126 HG2 PRO 16 HG2 PRO 16 1.388 3.662 -1.872
127 HG3 PRO 16 HG3 PRO 16 2.806 4.668 -2.212
128 HD2 PRO 16 HD2 PRO 16 1.133 5.051 -0.076
129 HD3 PRO 16 HD3 PRO 16 2.107 6.331 -0.817
130 H CYS 17 H CYS 17 -1.164 4.472 -0.919
131 HA CYS 17 HA CYS 17 -2.589 2.556 -2.521
132 HB2 CYS 17 HB2 CYS 17 -1.387 1.968 -0.416
133 HB3 CYS 17 HB3 CYS 17 -2.599 2.878 0.481
134 H LYS 18 H LYS 18 -3.424 5.314 -0.478
135 HA LYS 18 HA LYS 18 -6.226 4.895 -0.530
136 HB2 LYS 18 HB2 LYS 18 -6.391 7.216 0.198
137 HB3 LYS 18 HB3 LYS 18 -5.125 6.388 1.090
138 HG2 LYS 18 HG2 LYS 18 -3.436 7.411 -0.296
139 HG3 LYS 18 HG3 LYS 18 -4.679 8.181 -1.281
140 HD2 LYS 18 HD2 LYS 18 -5.434 9.440 0.694
141 HD3 LYS 18 HD3 LYS 18 -4.169 8.675 1.656
142 HE2 LYS 18 HE2 LYS 18 -2.474 9.658 0.173
143 HE3 LYS 18 HE3 LYS 18 -3.752 10.452 -0.744
144 HZ1 LYS 18 HZ1 LYS 18 -3.136 10.912 2.123
145 HZ2 LYS 18 HZ2 LYS 18 -4.366 11.674 1.247
146 HZ3 LYS 18 HZ3 LYS 18 -2.746 11.952 0.848
147 H LYS 19 H LYS 19 -3.947 6.142 -2.790
148 HA LYS 19 HA LYS 19 -5.914 7.475 -4.450
149 HB2 LYS 19 HB2 LYS 19 -2.994 6.831 -4.922
150 HB3 LYS 19 HB3 LYS 19 -4.000 7.755 -6.025
151 HG2 LYS 19 HG2 LYS 19 -3.336 8.549 -3.195
152 HG3 LYS 19 HG3 LYS 19 -2.554 9.176 -4.646
153 HD2 LYS 19 HD2 LYS 19 -5.478 9.457 -3.949
154 HD3 LYS 19 HD3 LYS 19 -4.258 10.719 -3.799
155 HE2 LYS 19 HE2 LYS 19 -5.116 9.387 -6.370
156 HE3 LYS 19 HE3 LYS 19 -5.601 10.991 -5.828
157 HZ1 LYS 19 HZ1 LYS 19 -2.828 10.139 -6.468
158 HZ2 LYS 19 HZ2 LYS 19 -3.279 11.675 -5.920
159 HZ3 LYS 19 HZ3 LYS 19 -3.813 11.127 -7.426
160 H ALA 20 H ALA 20 -4.904 4.386 -3.856
161 HA ALA 20 HA ALA 20 -5.414 3.335 -6.527
162 HB1 ALA 20 HB1 ALA 20 -4.677 1.983 -3.928
163 HB2 ALA 20 HB2 ALA 20 -3.597 2.335 -5.283
164 HB3 ALA 20 HB3 ALA 20 -4.889 1.148 -5.471
165 H GLY 21 H GLY 21 -7.083 4.090 -3.691
166 HA2 GLY 21 HA2 GLY 21 -9.400 3.991 -3.392
167 HA3 GLY 21 HA3 GLY 21 -9.496 2.825 -4.703
168 H MET 22 H MET 22 -7.062 2.125 -2.449
169 HA MET 22 HA MET 22 -8.695 -0.075 -1.436
170 HB2 MET 22 HB2 MET 22 -5.707 0.373 -1.281
171 HB3 MET 22 HB3 MET 22 -6.551 -1.031 -0.653
172 HG2 MET 22 HG2 MET 22 -6.374 -0.181 -3.528
173 HG3 MET 22 HG3 MET 22 -5.573 -1.557 -2.772
174 HE1 MET 22 HE1 MET 22 -8.272 -3.156 -5.170
175 HE2 MET 22 HE2 MET 22 -6.554 -3.053 -4.792
176 HE3 MET 22 HE3 MET 22 -7.398 -1.650 -5.444
177 H ARG 23 H ARG 23 -7.722 -0.686 0.970
178 HA ARG 23 HA ARG 23 -8.684 1.598 2.505
179 HB2 ARG 23 HB2 ARG 23 -9.619 -0.723 2.807
180 HB3 ARG 23 HB3 ARG 23 -8.077 -1.179 3.518
181 HG2 ARG 23 HG2 ARG 23 -8.598 -0.274 5.475
182 HG3 ARG 23 HG3 ARG 23 -9.185 1.212 4.726
183 HD2 ARG 23 HD2 ARG 23 -10.939 0.015 5.981
184 HD3 ARG 23 HD3 ARG 23 -11.321 0.195 4.272
185 HE ARG 23 HE ARG 23 -10.059 -2.306 4.929
186 HH11 ARG 23 HH11 ARG 23 -13.078 -0.568 4.732
187 HH12 ARG 23 HH12 ARG 23 -14.048 -1.995 4.563
188 HH21 ARG 23 HH21 ARG 23 -11.321 -4.203 4.709
189 HH22 ARG 23 HH22 ARG 23 -13.042 -4.074 4.550
190 H PHE 24 H PHE 24 -6.088 -0.802 3.092
191 HA PHE 24 HA PHE 24 -4.332 1.453 3.791
192 HB2 PHE 24 HB2 PHE 24 -3.603 -1.000 5.173
193 HB3 PHE 24 HB3 PHE 24 -3.783 0.625 5.812
194 HD1 PHE 24 HD1 PHE 24 -5.484 -2.491 5.038
195 HD2 PHE 24 HD2 PHE 24 -5.751 1.241 7.030
196 HE1 PHE 24 HE1 PHE 24 -7.490 -3.273 6.169
197 HE2 PHE 24 HE2 PHE 24 -7.773 0.468 8.210
198 HZ PHE 24 HZ PHE 24 -8.649 -1.799 7.782
199 H GLY 25 H GLY 25 -2.037 0.806 3.721
200 HA2 GLY 25 HA2 GLY 25 -1.520 -1.160 1.601
201 HA3 GLY 25 HA3 GLY 25 -0.556 0.291 1.856
202 H LYS 26 H LYS 26 -0.790 -2.980 2.480
203 HA LYS 26 HA LYS 26 0.680 -2.885 4.996
204 HB2 LYS 26 HB2 LYS 26 -1.226 -4.525 4.491
205 HB3 LYS 26 HB3 LYS 26 -0.080 -5.341 3.441
206 HG2 LYS 26 HG2 LYS 26 1.413 -5.701 5.343
207 HG3 LYS 26 HG3 LYS 26 0.237 -4.918 6.399
208 HD2 LYS 26 HD2 LYS 26 -0.272 -7.403 4.765
209 HD3 LYS 26 HD3 LYS 26 0.104 -7.379 6.489
210 HE2 LYS 26 HE2 LYS 26 -1.918 -6.061 6.905
211 HE3 LYS 26 HE3 LYS 26 -2.291 -6.091 5.183
212 HZ1 LYS 26 HZ1 LYS 26 -2.450 -8.508 5.315
213 HZ2 LYS 26 HZ2 LYS 26 -3.553 -7.758 6.351
214 HZ3 LYS 26 HZ3 LYS 26 -2.144 -8.450 6.977
215 H CYS 27 H CYS 27 2.702 -3.867 5.246
216 HA CYS 27 HA CYS 27 4.392 -3.698 2.911
217 HB2 CYS 27 HB2 CYS 27 4.886 -4.065 5.840
218 HB3 CYS 27 HB3 CYS 27 6.159 -4.443 4.682
219 H ILE 28 H ILE 28 4.591 -5.293 1.584
220 HA ILE 28 HA ILE 28 4.393 -8.043 2.581
221 HB ILE 28 HB ILE 28 3.067 -6.799 0.465
222 HG12 ILE 28 HG12 ILE 28 2.158 -9.011 0.006
223 HG13 ILE 28 HG13 ILE 28 3.470 -9.760 0.909
224 HG21 ILE 28 HG21 ILE 28 5.178 -8.643 -0.649
225 HG22 ILE 28 HG22 ILE 28 5.002 -6.911 -0.967
226 HG23 ILE 28 HG23 ILE 28 3.772 -8.038 -1.539
227 HD11 ILE 28 HD11 ILE 28 1.465 -7.861 2.103
228 HD12 ILE 28 HD12 ILE 28 2.664 -8.830 2.960
229 HD13 ILE 28 HD13 ILE 28 1.318 -9.617 2.138
230 H ASN 29 H ASN 29 5.777 -9.561 1.070
231 HA ASN 29 HA ASN 29 8.433 -9.269 1.517
232 HB2 ASN 29 HB2 ASN 29 8.776 -10.856 -0.412
233 HB3 ASN 29 HB3 ASN 29 7.584 -11.353 0.778
234 HD21 ASN 29 HD21 ASN 29 5.429 -11.433 0.235
235 HD22 ASN 29 HD22 ASN 29 4.888 -11.380 -1.407
236 H GLY 30 H GLY 30 8.999 -7.086 1.207
237 HA2 GLY 30 HA2 GLY 30 10.440 -5.673 0.066
238 HA3 GLY 30 HA3 GLY 30 10.213 -6.642 -1.379
239 H LYS 31 H LYS 31 7.135 -6.243 -0.737
240 HA LYS 31 HA LYS 31 7.109 -3.758 -2.325
241 HB2 LYS 31 HB2 LYS 31 5.533 -6.280 -2.807
242 HB3 LYS 31 HB3 LYS 31 5.206 -4.754 -3.614
243 HG2 LYS 31 HG2 LYS 31 7.499 -4.790 -4.532
244 HG3 LYS 31 HG3 LYS 31 7.734 -6.376 -3.795
245 HD2 LYS 31 HD2 LYS 31 5.850 -7.247 -5.109
246 HD3 LYS 31 HD3 LYS 31 5.652 -5.665 -5.860
247 HE2 LYS 31 HE2 LYS 31 7.934 -5.836 -6.766
248 HE3 LYS 31 HE3 LYS 31 8.081 -7.441 -6.051
249 HZ1 LYS 31 HZ1 LYS 31 6.151 -6.620 -8.152
250 HZ2 LYS 31 HZ2 LYS 31 6.187 -8.146 -7.421
251 HZ3 LYS 31 HZ3 LYS 31 7.494 -7.627 -8.357
252 H CYS 32 H CYS 32 4.828 -2.902 -2.591
253 HA CYS 32 HA CYS 32 3.597 -2.755 0.058
254 HB2 CYS 32 HB2 CYS 32 4.130 -0.871 -2.078
255 HB3 CYS 32 HB3 CYS 32 2.438 -0.815 -1.598
256 H ASP 33 H ASP 33 2.097 -4.289 0.252
257 HA ASP 33 HA ASP 33 0.246 -4.743 -1.996
258 HB2 ASP 33 HB2 ASP 33 1.525 -6.702 -1.046
259 HB3 ASP 33 HB3 ASP 33 0.620 -6.473 0.445
260 H CYS 34 H CYS 34 -1.675 -3.839 -1.835
261 HA CYS 34 HA CYS 34 -2.437 -2.544 0.625
262 HB2 CYS 34 HB2 CYS 34 -3.578 -2.519 -2.148
263 HB3 CYS 34 HB3 CYS 34 -4.400 -1.756 -0.799
264 H THR 35 H THR 35 -4.402 -2.726 1.669
265 HA THR 35 HA THR 35 -5.784 -5.295 1.317
266 HB THR 35 HB THR 35 -5.855 -3.254 3.528
267 HG1 THR 35 HG1 THR 35 -4.232 -5.344 3.005
268 HG21 THR 35 HG21 THR 35 -8.021 -4.393 3.261
269 HG22 THR 35 HG22 THR 35 -7.218 -4.814 4.778
270 HG23 THR 35 HG23 THR 35 -7.198 -5.949 3.428
271 HA PRO 36 HA PRO 36 -8.745 -2.763 -0.880
272 HB2 PRO 36 HB2 PRO 36 -10.474 -4.730 -1.500
273 HB3 PRO 36 HB3 PRO 36 -8.923 -4.546 -2.316
274 HG2 PRO 36 HG2 PRO 36 -9.650 -6.379 -0.067
275 HG3 PRO 36 HG3 PRO 36 -8.772 -6.747 -1.565
276 HD2 PRO 36 HD2 PRO 36 -7.493 -6.297 0.743
277 HD3 PRO 36 HD3 PRO 36 -6.814 -5.774 -0.801
278 H LYS 37 H LYS 37 -10.766 -1.906 -0.517
279 HA LYS 37 HA LYS 37 -11.889 -2.347 2.119
280 HB2 LYS 37 HB2 LYS 37 -13.394 -0.418 1.486
281 HB3 LYS 37 HB3 LYS 37 -11.679 -0.049 1.555
282 HG2 LYS 37 HG2 LYS 37 -11.499 0.042 -0.794
283 HG3 LYS 37 HG3 LYS 37 -13.076 -0.717 -1.017
284 HD2 LYS 37 HD2 LYS 37 -13.175 1.681 -1.469
285 HD3 LYS 37 HD3 LYS 37 -14.168 1.254 -0.078
286 HE2 LYS 37 HE2 LYS 37 -13.025 3.237 0.503
287 HE3 LYS 37 HE3 LYS 37 -12.224 1.932 1.370
288 HZ1 LYS 37 HZ1 LYS 37 -10.582 1.915 -0.517
289 HZ2 LYS 37 HZ2 LYS 37 -10.534 3.278 0.480
290 HZ3 LYS 37 HZ3 LYS 37 -11.275 3.369 -1.037
Start of MODEL 11
1 H1 VAL 1 H1 VAL 1 -3.737 -6.300 -6.592
2 H2 VAL 1 H2 VAL 1 -4.967 -7.334 -6.075
3 H3 VAL 1 H3 VAL 1 -3.489 -7.311 -5.260
4 HA VAL 1 HA VAL 1 -5.389 -5.052 -5.414
5 HB VAL 1 HB VAL 1 -5.725 -5.428 -2.992
6 HG11 VAL 1 HG11 VAL 1 -7.457 -6.230 -4.361
7 HG12 VAL 1 HG12 VAL 1 -7.089 -7.555 -3.255
8 HG13 VAL 1 HG13 VAL 1 -6.496 -7.603 -4.915
9 HG21 VAL 1 HG21 VAL 1 -3.617 -6.671 -2.641
10 HG22 VAL 1 HG22 VAL 1 -4.338 -8.062 -3.449
11 HG23 VAL 1 HG23 VAL 1 -5.025 -7.463 -1.938
12 H GLY 2 H GLY 2 -2.210 -5.838 -5.380
13 HA2 GLY 2 HA2 GLY 2 -1.422 -3.850 -3.393
14 HA3 GLY 2 HA3 GLY 2 -0.350 -4.954 -4.239
15 H ILE 3 H ILE 3 0.728 -2.691 -4.225
16 HA ILE 3 HA ILE 3 0.099 -1.415 -6.795
17 HB ILE 3 HB ILE 3 0.889 0.747 -5.794
18 HG12 ILE 3 HG12 ILE 3 0.610 -0.817 -3.221
19 HG13 ILE 3 HG13 ILE 3 2.088 -0.116 -3.869
20 HG21 ILE 3 HG21 ILE 3 -1.232 1.201 -4.583
21 HG22 ILE 3 HG22 ILE 3 -1.597 -0.523 -4.667
22 HG23 ILE 3 HG23 ILE 3 -1.452 0.422 -6.149
23 HD11 ILE 3 HD11 ILE 3 1.199 2.112 -3.537
24 HD12 ILE 3 HD12 ILE 3 1.167 1.196 -2.031
25 HD13 ILE 3 HD13 ILE 3 -0.319 1.437 -2.949
26 H ASN 4 H ASN 4 1.918 -0.373 -7.798
27 HA ASN 4 HA ASN 4 4.225 -2.038 -7.742
28 HB2 ASN 4 HB2 ASN 4 5.007 -0.804 -9.615
29 HB3 ASN 4 HB3 ASN 4 3.264 -0.925 -9.793
30 HD21 ASN 4 HD21 ASN 4 2.681 1.171 -7.847
31 HD22 ASN 4 HD22 ASN 4 3.119 2.663 -8.598
32 H VAL 5 H VAL 5 3.524 0.022 -5.477
33 HA VAL 5 HA VAL 5 5.992 1.534 -5.313
34 HB VAL 5 HB VAL 5 3.794 1.223 -3.255
35 HG11 VAL 5 HG11 VAL 5 4.720 3.279 -2.287
36 HG12 VAL 5 HG12 VAL 5 6.017 3.247 -3.480
37 HG13 VAL 5 HG13 VAL 5 5.894 1.962 -2.280
38 HG21 VAL 5 HG21 VAL 5 2.899 3.301 -4.033
39 HG22 VAL 5 HG22 VAL 5 3.023 2.200 -5.405
40 HG23 VAL 5 HG23 VAL 5 4.210 3.488 -5.195
41 H LYS 6 H LYS 6 7.735 0.978 -4.102
42 HA LYS 6 HA LYS 6 7.764 -1.681 -2.946
43 HB2 LYS 6 HB2 LYS 6 10.002 0.343 -3.112
44 HB3 LYS 6 HB3 LYS 6 10.156 -1.372 -2.748
45 HG2 LYS 6 HG2 LYS 6 9.256 -1.861 -5.021
46 HG3 LYS 6 HG3 LYS 6 9.328 -0.132 -5.362
47 HD2 LYS 6 HD2 LYS 6 11.303 -1.148 -6.248
48 HD3 LYS 6 HD3 LYS 6 11.765 -0.203 -4.832
49 HE2 LYS 6 HE2 LYS 6 11.839 -2.210 -3.481
50 HE3 LYS 6 HE3 LYS 6 11.269 -3.177 -4.840
51 HZ1 LYS 6 HZ1 LYS 6 13.290 -2.656 -6.027
52 HZ2 LYS 6 HZ2 LYS 6 13.663 -3.345 -4.529
53 HZ3 LYS 6 HZ3 LYS 6 13.828 -1.679 -4.756
54 H CYS 7 H CYS 7 7.823 -2.130 -0.792
55 HA CYS 7 HA CYS 7 6.882 -0.072 0.942
56 HB2 CYS 7 HB2 CYS 7 6.121 -2.380 1.232
57 HB3 CYS 7 HB3 CYS 7 7.763 -2.882 1.627
58 H LYS 8 H LYS 8 8.338 1.510 1.423
59 HA LYS 8 HA LYS 8 10.965 0.781 2.415
60 HB2 LYS 8 HB2 LYS 8 9.668 3.513 2.355
61 HB3 LYS 8 HB3 LYS 8 11.379 3.150 2.510
62 HG2 LYS 8 HG2 LYS 8 9.707 2.604 0.065
63 HG3 LYS 8 HG3 LYS 8 10.773 3.991 0.280
64 HD2 LYS 8 HD2 LYS 8 11.864 1.226 0.585
65 HD3 LYS 8 HD3 LYS 8 11.590 1.881 -1.027
66 HE2 LYS 8 HE2 LYS 8 13.873 2.292 -0.384
67 HE3 LYS 8 HE3 LYS 8 13.005 3.822 -0.439
68 HZ1 LYS 8 HZ1 LYS 8 14.467 3.601 1.501
69 HZ2 LYS 8 HZ2 LYS 8 13.551 2.291 2.042
70 HZ3 LYS 8 HZ3 LYS 8 12.854 3.827 1.937
71 H HIS 9 H HIS 9 7.868 2.031 3.437
72 HA HIS 9 HA HIS 9 8.346 1.177 6.175
73 HB2 HIS 9 HB2 HIS 9 7.477 4.012 5.527
74 HB3 HIS 9 HB3 HIS 9 7.608 3.317 7.138
75 HD1 HIS 9 HD1 HIS 9 9.681 4.559 4.288
76 HD2 HIS 9 HD2 HIS 9 10.193 3.228 8.188
77 HE1 HIS 9 HE1 HIS 9 12.096 4.902 4.788
78 HE2 HIS 9 HE2 HIS 9 12.421 4.014 7.129
79 H SER 10 H SER 10 6.480 0.534 7.168
80 HA SER 10 HA SER 10 4.396 -0.272 5.473
81 HB2 SER 10 HB2 SER 10 3.283 -0.869 7.729
82 HB3 SER 10 HB3 SER 10 4.802 -1.663 7.310
83 HG SER 10 HG SER 10 5.618 -0.832 9.041
84 H GLY 11 H GLY 11 4.753 2.558 7.492
85 HA2 GLY 11 HA2 GLY 11 1.983 3.321 7.318
86 HA3 GLY 11 HA3 GLY 11 3.310 4.327 7.885
87 H GLN 12 H GLN 12 4.893 3.924 5.476
88 HA GLN 12 HA GLN 12 3.920 6.105 3.961
89 HB2 GLN 12 HB2 GLN 12 6.227 4.226 3.762
90 HB3 GLN 12 HB3 GLN 12 5.818 5.214 2.376
91 HG2 GLN 12 HG2 GLN 12 6.051 7.223 3.757
92 HG3 GLN 12 HG3 GLN 12 6.476 6.206 5.129
93 HE21 GLN 12 HE21 GLN 12 7.583 5.545 1.860
94 HE22 GLN 12 HE22 GLN 12 9.240 5.938 2.151
95 H CYS 13 H CYS 13 3.224 2.786 3.859
96 HA CYS 13 HA CYS 13 2.872 2.590 1.022
97 HB2 CYS 13 HB2 CYS 13 2.172 0.765 3.313
98 HB3 CYS 13 HB3 CYS 13 1.769 0.384 1.642
99 H LEU 14 H LEU 14 0.979 3.794 3.581
100 HA LEU 14 HA LEU 14 -1.587 3.226 2.441
101 HB2 LEU 14 HB2 LEU 14 -0.569 4.858 4.707
102 HB3 LEU 14 HB3 LEU 14 -2.169 5.213 4.091
103 HG LEU 14 HG LEU 14 -2.827 2.861 4.511
104 HD11 LEU 14 HD11 LEU 14 -1.449 1.304 5.516
105 HD12 LEU 14 HD12 LEU 14 -0.309 2.522 6.085
106 HD13 LEU 14 HD13 LEU 14 -0.365 2.096 4.375
107 HD21 LEU 14 HD21 LEU 14 -3.237 4.622 6.173
108 HD22 LEU 14 HD22 LEU 14 -1.686 4.255 6.928
109 HD23 LEU 14 HD23 LEU 14 -2.971 3.047 6.918
110 H LYS 15 H LYS 15 0.645 5.907 2.353
111 HA LYS 15 HA LYS 15 -0.977 7.918 1.386
112 HB2 LYS 15 HB2 LYS 15 1.948 7.381 1.167
113 HB3 LYS 15 HB3 LYS 15 1.256 8.693 0.224
114 HG2 LYS 15 HG2 LYS 15 2.156 9.497 2.335
115 HG3 LYS 15 HG3 LYS 15 0.411 9.727 2.258
116 HD2 LYS 15 HD2 LYS 15 0.145 7.631 3.580
117 HD3 LYS 15 HD3 LYS 15 1.899 7.580 3.761
118 HE2 LYS 15 HE2 LYS 15 0.883 8.575 5.723
119 HE3 LYS 15 HE3 LYS 15 1.838 9.776 4.856
120 HZ1 LYS 15 HZ1 LYS 15 -0.296 10.662 5.586
121 HZ2 LYS 15 HZ2 LYS 15 -1.117 9.489 4.689
122 HZ3 LYS 15 HZ3 LYS 15 -0.190 10.661 3.899
123 HA PRO 16 HA PRO 16 -0.303 6.677 -3.154
124 HB2 PRO 16 HB2 PRO 16 0.993 4.411 -3.813
125 HB3 PRO 16 HB3 PRO 16 1.848 5.929 -3.519
126 HG2 PRO 16 HG2 PRO 16 1.494 3.570 -1.717
127 HG3 PRO 16 HG3 PRO 16 2.929 4.577 -1.979
128 HD2 PRO 16 HD2 PRO 16 1.236 4.847 0.160
129 HD3 PRO 16 HD3 PRO 16 2.236 6.162 -0.486
130 H CYS 17 H CYS 17 -1.068 4.397 -0.732
131 HA CYS 17 HA CYS 17 -2.417 2.490 -2.380
132 HB2 CYS 17 HB2 CYS 17 -1.380 1.955 -0.179
133 HB3 CYS 17 HB3 CYS 17 -2.639 2.908 0.600
134 H LYS 18 H LYS 18 -3.399 5.245 -0.398
135 HA LYS 18 HA LYS 18 -6.184 4.796 -0.665
136 HB2 LYS 18 HB2 LYS 18 -6.442 7.047 0.198
137 HB3 LYS 18 HB3 LYS 18 -5.203 6.203 1.108
138 HG2 LYS 18 HG2 LYS 18 -4.064 8.113 0.818
139 HG3 LYS 18 HG3 LYS 18 -3.684 7.402 -0.753
140 HD2 LYS 18 HD2 LYS 18 -4.384 9.577 -1.264
141 HD3 LYS 18 HD3 LYS 18 -5.797 8.580 -1.594
142 HE2 LYS 18 HE2 LYS 18 -5.360 10.064 0.994
143 HE3 LYS 18 HE3 LYS 18 -6.256 10.726 -0.369
144 HZ1 LYS 18 HZ1 LYS 18 -6.955 8.315 1.218
145 HZ2 LYS 18 HZ2 LYS 18 -7.767 8.793 -0.184
146 HZ3 LYS 18 HZ3 LYS 18 -7.782 9.787 1.184
147 H LYS 19 H LYS 19 -3.795 5.964 -2.791
148 HA LYS 19 HA LYS 19 -5.656 7.396 -4.500
149 HB2 LYS 19 HB2 LYS 19 -2.791 6.625 -5.084
150 HB3 LYS 19 HB3 LYS 19 -3.759 7.809 -5.946
151 HG2 LYS 19 HG2 LYS 19 -3.881 9.046 -3.702
152 HG3 LYS 19 HG3 LYS 19 -2.549 8.001 -3.217
153 HD2 LYS 19 HD2 LYS 19 -2.558 9.876 -5.586
154 HD3 LYS 19 HD3 LYS 19 -1.744 10.160 -4.050
155 HE2 LYS 19 HE2 LYS 19 -0.024 9.405 -5.399
156 HE3 LYS 19 HE3 LYS 19 -0.520 7.937 -4.567
157 HZ1 LYS 19 HZ1 LYS 19 -0.186 7.576 -6.941
158 HZ2 LYS 19 HZ2 LYS 19 -1.375 8.720 -7.299
159 HZ3 LYS 19 HZ3 LYS 19 -1.792 7.292 -6.506
160 H ALA 20 H ALA 20 -4.618 4.268 -3.929
161 HA ALA 20 HA ALA 20 -5.113 3.252 -6.605
162 HB1 ALA 20 HB1 ALA 20 -4.431 1.856 -4.020
163 HB2 ALA 20 HB2 ALA 20 -3.319 2.248 -5.335
164 HB3 ALA 20 HB3 ALA 20 -4.596 1.057 -5.586
165 H GLY 21 H GLY 21 -6.935 4.145 -3.986
166 HA2 GLY 21 HA2 GLY 21 -9.230 3.986 -3.700
167 HA3 GLY 21 HA3 GLY 21 -9.281 2.808 -5.004
168 H MET 22 H MET 22 -6.964 2.216 -2.561
169 HA MET 22 HA MET 22 -8.599 -0.026 -1.639
170 HB2 MET 22 HB2 MET 22 -5.643 0.466 -1.251
171 HB3 MET 22 HB3 MET 22 -6.521 -0.970 -0.764
172 HG2 MET 22 HG2 MET 22 -6.158 -0.019 -3.590
173 HG3 MET 22 HG3 MET 22 -5.275 -1.326 -2.808
174 HE1 MET 22 HE1 MET 22 -6.794 -1.659 -5.591
175 HE2 MET 22 HE2 MET 22 -7.535 -3.240 -5.349
176 HE3 MET 22 HE3 MET 22 -5.889 -2.945 -4.792
177 H ARG 23 H ARG 23 -7.798 -0.628 0.773
178 HA ARG 23 HA ARG 23 -8.816 1.641 2.295
179 HB2 ARG 23 HB2 ARG 23 -9.834 -0.644 2.473
180 HB3 ARG 23 HB3 ARG 23 -8.346 -1.194 3.220
181 HG2 ARG 23 HG2 ARG 23 -8.754 -0.086 5.173
182 HG3 ARG 23 HG3 ARG 23 -9.768 1.131 4.397
183 HD2 ARG 23 HD2 ARG 23 -10.920 -0.621 5.873
184 HD3 ARG 23 HD3 ARG 23 -11.610 -0.300 4.285
185 HE ARG 23 HE ARG 23 -10.297 -2.347 3.569
186 HH11 ARG 23 HH11 ARG 23 -11.500 -1.949 6.838
187 HH12 ARG 23 HH12 ARG 23 -11.694 -3.651 7.099
188 HH21 ARG 23 HH21 ARG 23 -10.574 -4.561 3.907
189 HH22 ARG 23 HH22 ARG 23 -11.170 -5.137 5.434
190 H PHE 24 H PHE 24 -6.387 -0.851 3.105
191 HA PHE 24 HA PHE 24 -4.588 1.323 3.943
192 HB2 PHE 24 HB2 PHE 24 -4.023 -1.211 5.251
193 HB3 PHE 24 HB3 PHE 24 -4.195 0.388 5.955
194 HD1 PHE 24 HD1 PHE 24 -5.939 -2.630 4.920
195 HD2 PHE 24 HD2 PHE 24 -6.213 1.003 7.087
196 HE1 PHE 24 HE1 PHE 24 -8.027 -3.408 5.902
197 HE2 PHE 24 HE2 PHE 24 -8.320 0.235 8.108
198 HZ PHE 24 HZ PHE 24 -9.232 -1.980 7.524
199 H GLY 25 H GLY 25 -2.290 0.520 4.052
200 HA2 GLY 25 HA2 GLY 25 -1.741 -1.426 1.919
201 HA3 GLY 25 HA3 GLY 25 -0.834 0.073 2.067
202 H LYS 26 H LYS 26 -0.923 -3.169 2.883
203 HA LYS 26 HA LYS 26 0.643 -2.861 5.320
204 HB2 LYS 26 HB2 LYS 26 0.416 -5.241 5.584
205 HB3 LYS 26 HB3 LYS 26 -1.158 -4.583 5.170
206 HG2 LYS 26 HG2 LYS 26 -0.682 -5.262 2.789
207 HG3 LYS 26 HG3 LYS 26 0.716 -6.138 3.411
208 HD2 LYS 26 HD2 LYS 26 -2.161 -6.577 4.200
209 HD3 LYS 26 HD3 LYS 26 -1.195 -7.625 3.162
210 HE2 LYS 26 HE2 LYS 26 0.308 -8.102 5.008
211 HE3 LYS 26 HE3 LYS 26 -0.591 -7.000 6.050
212 HZ1 LYS 26 HZ1 LYS 26 -1.237 -9.267 6.470
213 HZ2 LYS 26 HZ2 LYS 26 -1.627 -9.503 4.842
214 HZ3 LYS 26 HZ3 LYS 26 -2.538 -8.431 5.779
215 H CYS 27 H CYS 27 2.709 -3.976 5.531
216 HA CYS 27 HA CYS 27 4.310 -3.436 3.185
217 HB2 CYS 27 HB2 CYS 27 4.958 -2.803 5.574
218 HB3 CYS 27 HB3 CYS 27 5.313 -4.512 5.815
219 H ILE 28 H ILE 28 4.583 -4.915 1.698
220 HA ILE 28 HA ILE 28 4.576 -7.738 2.478
221 HB ILE 28 HB ILE 28 3.243 -6.406 0.413
222 HG12 ILE 28 HG12 ILE 28 2.457 -8.650 -0.193
223 HG13 ILE 28 HG13 ILE 28 3.762 -9.363 0.750
224 HG21 ILE 28 HG21 ILE 28 5.441 -8.105 -0.740
225 HG22 ILE 28 HG22 ILE 28 5.207 -6.371 -0.978
226 HG23 ILE 28 HG23 ILE 28 4.035 -7.516 -1.631
227 HD11 ILE 28 HD11 ILE 28 1.628 -7.595 1.907
228 HD12 ILE 28 HD12 ILE 28 2.822 -8.548 2.783
229 HD13 ILE 28 HD13 ILE 28 1.547 -9.355 1.872
230 H ASN 29 H ASN 29 6.061 -9.040 0.826
231 HA ASN 29 HA ASN 29 8.497 -8.959 1.965
232 HB2 ASN 29 HB2 ASN 29 7.764 -9.893 -0.793
233 HB3 ASN 29 HB3 ASN 29 9.372 -10.133 -0.126
234 HD21 ASN 29 HD21 ASN 29 6.736 -10.220 2.087
235 HD22 ASN 29 HD22 ASN 29 6.665 -11.934 2.266
236 H GLY 30 H GLY 30 7.772 -7.302 -1.085
237 HA2 GLY 30 HA2 GLY 30 9.946 -5.451 -0.398
238 HA3 GLY 30 HA3 GLY 30 9.918 -6.159 -2.004
239 H LYS 31 H LYS 31 6.770 -5.740 -0.993
240 HA LYS 31 HA LYS 31 6.630 -3.203 -2.487
241 HB2 LYS 31 HB2 LYS 31 4.948 -5.667 -2.899
242 HB3 LYS 31 HB3 LYS 31 4.465 -4.082 -3.479
243 HG2 LYS 31 HG2 LYS 31 6.569 -3.990 -4.796
244 HG3 LYS 31 HG3 LYS 31 6.894 -5.653 -4.300
245 HD2 LYS 31 HD2 LYS 31 4.783 -6.364 -5.324
246 HD3 LYS 31 HD3 LYS 31 4.469 -4.703 -5.825
247 HE2 LYS 31 HE2 LYS 31 6.522 -4.751 -7.183
248 HE3 LYS 31 HE3 LYS 31 6.778 -6.431 -6.712
249 HZ1 LYS 31 HZ1 LYS 31 4.650 -6.984 -7.755
250 HZ2 LYS 31 HZ2 LYS 31 5.732 -6.314 -8.866
251 HZ3 LYS 31 HZ3 LYS 31 4.466 -5.378 -8.252
252 H CYS 32 H CYS 32 4.585 -2.038 -2.223
253 HA CYS 32 HA CYS 32 3.431 -2.361 0.432
254 HB2 CYS 32 HB2 CYS 32 2.972 -0.286 -1.726
255 HB3 CYS 32 HB3 CYS 32 2.152 -0.294 -0.170
256 H ASP 33 H ASP 33 2.085 -4.031 0.479
257 HA ASP 33 HA ASP 33 0.297 -4.513 -1.794
258 HB2 ASP 33 HB2 ASP 33 1.654 -6.386 -0.777
259 HB3 ASP 33 HB3 ASP 33 0.657 -6.224 0.663
260 H CYS 34 H CYS 34 -1.723 -3.805 -1.729
261 HA CYS 34 HA CYS 34 -2.612 -2.525 0.706
262 HB2 CYS 34 HB2 CYS 34 -3.615 -2.455 -2.118
263 HB3 CYS 34 HB3 CYS 34 -4.473 -1.692 -0.791
264 H THR 35 H THR 35 -4.598 -2.788 1.662
265 HA THR 35 HA THR 35 -5.998 -5.300 1.005
266 HB THR 35 HB THR 35 -5.937 -3.671 3.537
267 HG1 THR 35 HG1 THR 35 -4.437 -5.684 2.634
268 HG21 THR 35 HG21 THR 35 -8.191 -4.645 3.031
269 HG22 THR 35 HG22 THR 35 -7.448 -5.229 4.526
270 HG23 THR 35 HG23 THR 35 -7.435 -6.243 3.083
271 HA PRO 36 HA PRO 36 -9.058 -2.435 -0.630
272 HB2 PRO 36 HB2 PRO 36 -10.603 -4.896 -1.107
273 HB3 PRO 36 HB3 PRO 36 -10.020 -3.703 -2.258
274 HG2 PRO 36 HG2 PRO 36 -8.942 -6.134 -2.141
275 HG3 PRO 36 HG3 PRO 36 -7.948 -4.698 -2.461
276 HD2 PRO 36 HD2 PRO 36 -8.356 -6.176 0.109
277 HD3 PRO 36 HD3 PRO 36 -6.837 -5.613 -0.621
278 H LYS 37 H LYS 37 -11.566 -2.458 -0.454
279 HA LYS 37 HA LYS 37 -12.260 -2.279 2.298
280 HB2 LYS 37 HB2 LYS 37 -13.968 -2.118 -0.194
281 HB3 LYS 37 HB3 LYS 37 -14.536 -1.747 1.425
282 HG2 LYS 37 HG2 LYS 37 -13.000 0.110 1.582
283 HG3 LYS 37 HG3 LYS 37 -12.312 -0.297 0.008
284 HD2 LYS 37 HD2 LYS 37 -14.483 0.107 -1.046
285 HD3 LYS 37 HD3 LYS 37 -15.172 0.514 0.526
286 HE2 LYS 37 HE2 LYS 37 -12.900 1.986 -0.802
287 HE3 LYS 37 HE3 LYS 37 -14.586 2.498 -0.831
288 HZ1 LYS 37 HZ1 LYS 37 -13.364 3.661 0.876
289 HZ2 LYS 37 HZ2 LYS 37 -12.894 2.205 1.593
290 HZ3 LYS 37 HZ3 LYS 37 -14.526 2.658 1.589
Start of MODEL 12
1 H1 VAL 1 H1 VAL 1 -4.136 -8.583 -5.419
2 H2 VAL 1 H2 VAL 1 -3.723 -8.191 -7.010
3 H3 VAL 1 H3 VAL 1 -5.347 -8.273 -6.556
4 HA VAL 1 HA VAL 1 -4.622 -5.997 -6.759
5 HB VAL 1 HB VAL 1 -5.319 -5.159 -4.589
6 HG11 VAL 1 HG11 VAL 1 -7.491 -6.195 -4.495
7 HG12 VAL 1 HG12 VAL 1 -6.895 -7.611 -5.354
8 HG13 VAL 1 HG13 VAL 1 -6.985 -6.053 -6.176
9 HG21 VAL 1 HG21 VAL 1 -4.010 -6.733 -3.228
10 HG22 VAL 1 HG22 VAL 1 -5.152 -8.012 -3.635
11 HG23 VAL 1 HG23 VAL 1 -5.687 -6.615 -2.701
12 H GLY 2 H GLY 2 -3.457 -4.229 -5.575
13 HA2 GLY 2 HA2 GLY 2 -1.508 -4.128 -3.837
14 HA3 GLY 2 HA3 GLY 2 -0.706 -5.101 -5.065
15 H ILE 3 H ILE 3 0.310 -2.615 -4.300
16 HA ILE 3 HA ILE 3 -0.363 -0.971 -6.647
17 HB ILE 3 HB ILE 3 0.501 0.978 -5.331
18 HG12 ILE 3 HG12 ILE 3 0.297 -0.971 -3.025
19 HG13 ILE 3 HG13 ILE 3 1.782 -0.255 -3.645
20 HG21 ILE 3 HG21 ILE 3 -1.555 1.205 -3.957
21 HG22 ILE 3 HG22 ILE 3 -1.930 -0.479 -4.323
22 HG23 ILE 3 HG23 ILE 3 -1.853 0.709 -5.623
23 HD11 ILE 3 HD11 ILE 3 0.990 1.953 -2.982
24 HD12 ILE 3 HD12 ILE 3 1.056 0.848 -1.611
25 HD13 ILE 3 HD13 ILE 3 -0.493 1.235 -2.359
26 H ASN 4 H ASN 4 1.338 0.130 -7.657
27 HA ASN 4 HA ASN 4 3.787 -1.367 -7.762
28 HB2 ASN 4 HB2 ASN 4 2.664 -0.381 -9.778
29 HB3 ASN 4 HB3 ASN 4 3.078 1.217 -9.176
30 HD21 ASN 4 HD21 ASN 4 5.695 0.794 -8.308
31 HD22 ASN 4 HD22 ASN 4 6.678 0.424 -9.692
32 H VAL 5 H VAL 5 4.175 -0.891 -5.440
33 HA VAL 5 HA VAL 5 6.025 1.357 -5.248
34 HB VAL 5 HB VAL 5 4.014 0.848 -3.056
35 HG11 VAL 5 HG11 VAL 5 4.769 3.042 -2.261
36 HG12 VAL 5 HG12 VAL 5 5.988 3.061 -3.532
37 HG13 VAL 5 HG13 VAL 5 6.045 1.829 -2.269
38 HG21 VAL 5 HG21 VAL 5 2.795 2.799 -3.691
39 HG22 VAL 5 HG22 VAL 5 2.868 1.714 -5.080
40 HG23 VAL 5 HG23 VAL 5 3.918 3.130 -5.011
41 H LYS 6 H LYS 6 7.834 0.765 -4.136
42 HA LYS 6 HA LYS 6 7.904 -1.894 -2.958
43 HB2 LYS 6 HB2 LYS 6 10.122 0.152 -3.209
44 HB3 LYS 6 HB3 LYS 6 10.308 -1.538 -2.762
45 HG2 LYS 6 HG2 LYS 6 9.432 -2.164 -5.003
46 HG3 LYS 6 HG3 LYS 6 9.439 -0.454 -5.431
47 HD2 LYS 6 HD2 LYS 6 11.453 -1.370 -6.283
48 HD3 LYS 6 HD3 LYS 6 11.893 -0.438 -4.853
49 HE2 LYS 6 HE2 LYS 6 13.079 -2.547 -4.857
50 HE3 LYS 6 HE3 LYS 6 11.915 -2.519 -3.534
51 HZ1 LYS 6 HZ1 LYS 6 11.915 -4.633 -4.735
52 HZ2 LYS 6 HZ2 LYS 6 11.477 -3.836 -6.158
53 HZ3 LYS 6 HZ3 LYS 6 10.417 -3.860 -4.843
54 H CYS 7 H CYS 7 8.023 -2.294 -0.777
55 HA CYS 7 HA CYS 7 7.076 -0.184 0.897
56 HB2 CYS 7 HB2 CYS 7 6.300 -2.455 1.304
57 HB3 CYS 7 HB3 CYS 7 7.948 -2.975 1.655
58 H LYS 8 H LYS 8 8.771 1.372 0.872
59 HA LYS 8 HA LYS 8 11.247 0.700 2.203
60 HB2 LYS 8 HB2 LYS 8 10.035 3.402 1.563
61 HB3 LYS 8 HB3 LYS 8 11.679 3.127 2.118
62 HG2 LYS 8 HG2 LYS 8 10.537 2.081 -0.465
63 HG3 LYS 8 HG3 LYS 8 11.517 3.537 -0.309
64 HD2 LYS 8 HD2 LYS 8 13.395 2.231 0.484
65 HD3 LYS 8 HD3 LYS 8 12.415 0.763 0.467
66 HE2 LYS 8 HE2 LYS 8 13.880 0.903 -1.493
67 HE3 LYS 8 HE3 LYS 8 12.176 0.919 -1.944
68 HZ1 LYS 8 HZ1 LYS 8 13.959 3.289 -1.783
69 HZ2 LYS 8 HZ2 LYS 8 12.317 3.330 -2.179
70 HZ3 LYS 8 HZ3 LYS 8 13.412 2.549 -3.202
71 H HIS 9 H HIS 9 8.129 2.036 2.901
72 HA HIS 9 HA HIS 9 8.498 1.601 5.755
73 HB2 HIS 9 HB2 HIS 9 7.355 4.224 4.755
74 HB3 HIS 9 HB3 HIS 9 7.735 3.784 6.413
75 HD1 HIS 9 HD1 HIS 9 9.259 5.101 3.287
76 HD2 HIS 9 HD2 HIS 9 10.471 3.955 7.094
77 HE1 HIS 9 HE1 HIS 9 11.646 5.840 3.484
78 HE2 HIS 9 HE2 HIS 9 12.297 5.305 5.861
79 H SER 10 H SER 10 6.454 1.198 6.791
80 HA SER 10 HA SER 10 4.461 0.148 5.064
81 HB2 SER 10 HB2 SER 10 3.124 -0.052 7.222
82 HB3 SER 10 HB3 SER 10 4.681 -0.878 7.204
83 HG SER 10 HG SER 10 4.963 0.224 8.990
84 H GLY 11 H GLY 11 4.830 3.166 6.818
85 HA2 GLY 11 HA2 GLY 11 2.245 4.196 6.160
86 HA3 GLY 11 HA3 GLY 11 3.617 5.123 6.751
87 H GLN 12 H GLN 12 5.071 3.711 4.365
88 HA GLN 12 HA GLN 12 4.591 5.866 2.487
89 HB2 GLN 12 HB2 GLN 12 6.899 4.959 3.002
90 HB3 GLN 12 HB3 GLN 12 6.431 3.496 2.150
91 HG2 GLN 12 HG2 GLN 12 5.982 4.879 0.151
92 HG3 GLN 12 HG3 GLN 12 6.665 6.258 1.008
93 HE21 GLN 12 HE21 GLN 12 7.296 3.292 -0.619
94 HE22 GLN 12 HE22 GLN 12 9.018 3.438 -0.669
95 H CYS 13 H CYS 13 3.485 2.708 3.052
96 HA CYS 13 HA CYS 13 2.728 2.250 0.284
97 HB2 CYS 13 HB2 CYS 13 2.176 0.586 2.755
98 HB3 CYS 13 HB3 CYS 13 1.876 0.096 1.090
99 H LEU 14 H LEU 14 1.497 3.663 3.111
100 HA LEU 14 HA LEU 14 -1.290 3.228 2.652
101 HB2 LEU 14 HB2 LEU 14 0.182 5.263 4.324
102 HB3 LEU 14 HB3 LEU 14 -1.557 5.074 4.320
103 HG LEU 14 HG LEU 14 0.439 2.992 5.214
104 HD11 LEU 14 HD11 LEU 14 -1.492 4.686 6.791
105 HD12 LEU 14 HD12 LEU 14 0.260 4.872 6.757
106 HD13 LEU 14 HD13 LEU 14 -0.459 3.415 7.443
107 HD21 LEU 14 HD21 LEU 14 -1.471 1.897 4.274
108 HD22 LEU 14 HD22 LEU 14 -2.574 2.971 5.136
109 HD23 LEU 14 HD23 LEU 14 -1.595 1.808 6.032
110 H LYS 15 H LYS 15 0.870 5.983 2.184
111 HA LYS 15 HA LYS 15 -0.955 7.855 1.328
112 HB2 LYS 15 HB2 LYS 15 1.940 7.568 0.530
113 HB3 LYS 15 HB3 LYS 15 0.969 9.005 0.251
114 HG2 LYS 15 HG2 LYS 15 0.715 9.360 2.610
115 HG3 LYS 15 HG3 LYS 15 1.515 7.827 2.966
116 HD2 LYS 15 HD2 LYS 15 3.584 8.661 1.998
117 HD3 LYS 15 HD3 LYS 15 2.791 10.178 1.567
118 HE2 LYS 15 HE2 LYS 15 4.134 10.400 3.604
119 HE3 LYS 15 HE3 LYS 15 2.422 10.676 3.916
120 HZ1 LYS 15 HZ1 LYS 15 3.830 8.114 4.435
121 HZ2 LYS 15 HZ2 LYS 15 2.233 8.488 4.846
122 HZ3 LYS 15 HZ3 LYS 15 3.512 9.285 5.607
123 HA PRO 16 HA PRO 16 -0.439 6.624 -3.271
124 HB2 PRO 16 HB2 PRO 16 0.749 4.264 -3.892
125 HB3 PRO 16 HB3 PRO 16 1.631 5.789 -3.777
126 HG2 PRO 16 HG2 PRO 16 1.438 3.561 -1.804
127 HG3 PRO 16 HG3 PRO 16 2.831 4.564 -2.234
128 HD2 PRO 16 HD2 PRO 16 1.327 4.947 0.011
129 HD3 PRO 16 HD3 PRO 16 2.222 6.240 -0.810
130 H CYS 17 H CYS 17 -1.223 4.411 -0.766
131 HA CYS 17 HA CYS 17 -2.694 2.567 -2.413
132 HB2 CYS 17 HB2 CYS 17 -1.549 1.980 -0.236
133 HB3 CYS 17 HB3 CYS 17 -2.846 2.839 0.586
134 H LYS 18 H LYS 18 -3.488 5.295 -0.300
135 HA LYS 18 HA LYS 18 -6.304 5.011 -0.553
136 HB2 LYS 18 HB2 LYS 18 -6.382 7.348 0.253
137 HB3 LYS 18 HB3 LYS 18 -5.354 6.331 1.250
138 HG2 LYS 18 HG2 LYS 18 -3.383 7.230 0.227
139 HG3 LYS 18 HG3 LYS 18 -4.357 8.154 -0.919
140 HD2 LYS 18 HD2 LYS 18 -5.288 9.460 0.925
141 HD3 LYS 18 HD3 LYS 18 -4.353 8.511 2.082
142 HE2 LYS 18 HE2 LYS 18 -2.281 9.297 1.006
143 HE3 LYS 18 HE3 LYS 18 -3.243 10.284 -0.090
144 HZ1 LYS 18 HZ1 LYS 18 -3.221 10.569 2.863
145 HZ2 LYS 18 HZ2 LYS 18 -4.039 11.560 1.765
146 HZ3 LYS 18 HZ3 LYS 18 -2.349 11.543 1.790
147 H LYS 19 H LYS 19 -3.826 6.202 -2.589
148 HA LYS 19 HA LYS 19 -5.589 7.720 -4.325
149 HB2 LYS 19 HB2 LYS 19 -2.695 6.881 -4.621
150 HB3 LYS 19 HB3 LYS 19 -3.555 7.901 -5.764
151 HG2 LYS 19 HG2 LYS 19 -3.801 9.630 -4.114
152 HG3 LYS 19 HG3 LYS 19 -3.108 8.590 -2.868
153 HD2 LYS 19 HD2 LYS 19 -0.982 8.570 -3.998
154 HD3 LYS 19 HD3 LYS 19 -1.656 9.460 -5.362
155 HE2 LYS 19 HE2 LYS 19 -1.522 10.527 -2.549
156 HE3 LYS 19 HE3 LYS 19 -0.300 10.839 -3.781
157 HZ1 LYS 19 HZ1 LYS 19 -2.025 11.859 -5.154
158 HZ2 LYS 19 HZ2 LYS 19 -1.864 12.650 -3.670
159 HZ3 LYS 19 HZ3 LYS 19 -3.166 11.604 -3.930
160 H ALA 20 H ALA 20 -4.729 4.556 -3.770
161 HA ALA 20 HA ALA 20 -5.292 3.603 -6.472
162 HB1 ALA 20 HB1 ALA 20 -4.558 2.128 -3.940
163 HB2 ALA 20 HB2 ALA 20 -3.471 2.534 -5.273
164 HB3 ALA 20 HB3 ALA 20 -4.781 1.379 -5.525
165 H GLY 21 H GLY 21 -6.888 4.321 -3.592
166 HA2 GLY 21 HA2 GLY 21 -9.173 4.249 -3.184
167 HA3 GLY 21 HA3 GLY 21 -9.368 3.230 -4.603
168 H MET 22 H MET 22 -6.937 2.261 -2.385
169 HA MET 22 HA MET 22 -8.641 0.017 -1.617
170 HB2 MET 22 HB2 MET 22 -5.647 0.362 -1.513
171 HB3 MET 22 HB3 MET 22 -6.484 -1.010 -0.816
172 HG2 MET 22 HG2 MET 22 -6.475 -0.213 -3.710
173 HG3 MET 22 HG3 MET 22 -5.638 -1.582 -2.981
174 HE1 MET 22 HE1 MET 22 -8.455 -3.285 -5.109
175 HE2 MET 22 HE2 MET 22 -6.722 -3.198 -4.794
176 HE3 MET 22 HE3 MET 22 -7.559 -1.821 -5.512
177 H ARG 23 H ARG 23 -8.037 -0.890 0.663
178 HA ARG 23 HA ARG 23 -9.025 1.169 2.405
179 HB2 ARG 23 HB2 ARG 23 -9.822 -1.208 2.417
180 HB3 ARG 23 HB3 ARG 23 -8.277 -1.666 3.107
181 HG2 ARG 23 HG2 ARG 23 -8.758 -0.765 5.140
182 HG3 ARG 23 HG3 ARG 23 -9.864 0.432 4.468
183 HD2 ARG 23 HD2 ARG 23 -10.853 -1.529 5.812
184 HD3 ARG 23 HD3 ARG 23 -11.608 -1.100 4.279
185 HE ARG 23 HE ARG 23 -10.090 -2.980 3.384
186 HH11 ARG 23 HH11 ARG 23 -11.600 -2.961 6.546
187 HH12 ARG 23 HH12 ARG 23 -11.728 -4.689 6.624
188 HH21 ARG 23 HH21 ARG 23 -10.282 -5.234 3.476
189 HH22 ARG 23 HH22 ARG 23 -10.973 -5.986 4.880
190 H PHE 24 H PHE 24 -6.347 -1.131 2.973
191 HA PHE 24 HA PHE 24 -4.727 1.153 3.875
192 HB2 PHE 24 HB2 PHE 24 -3.927 -1.356 5.105
193 HB3 PHE 24 HB3 PHE 24 -4.213 0.208 5.852
194 HD1 PHE 24 HD1 PHE 24 -5.720 -2.928 4.803
195 HD2 PHE 24 HD2 PHE 24 -6.265 0.648 7.011
196 HE1 PHE 24 HE1 PHE 24 -7.739 -3.875 5.789
197 HE2 PHE 24 HE2 PHE 24 -8.291 -0.298 8.041
198 HZ PHE 24 HZ PHE 24 -9.034 -2.567 7.436
199 H GLY 25 H GLY 25 -2.518 0.944 3.505
200 HA2 GLY 25 HA2 GLY 25 -1.726 -1.119 1.574
201 HA3 GLY 25 HA3 GLY 25 -0.979 0.471 1.701
202 H LYS 26 H LYS 26 -1.007 -2.752 2.849
203 HA LYS 26 HA LYS 26 0.625 -2.129 5.179
204 HB2 LYS 26 HB2 LYS 26 0.402 -4.514 5.718
205 HB3 LYS 26 HB3 LYS 26 -1.162 -3.751 5.481
206 HG2 LYS 26 HG2 LYS 26 -1.307 -4.724 3.248
207 HG3 LYS 26 HG3 LYS 26 0.276 -5.477 3.475
208 HD2 LYS 26 HD2 LYS 26 -0.585 -6.762 5.349
209 HD3 LYS 26 HD3 LYS 26 -2.157 -5.979 5.188
210 HE2 LYS 26 HE2 LYS 26 -0.843 -7.735 3.117
211 HE3 LYS 26 HE3 LYS 26 -2.132 -8.229 4.211
212 HZ1 LYS 26 HZ1 LYS 26 -3.256 -7.706 2.289
213 HZ2 LYS 26 HZ2 LYS 26 -2.251 -6.408 1.896
214 HZ3 LYS 26 HZ3 LYS 26 -3.393 -6.251 3.146
215 H CYS 27 H CYS 27 2.602 -3.389 5.563
216 HA CYS 27 HA CYS 27 4.235 -3.273 3.185
217 HB2 CYS 27 HB2 CYS 27 4.975 -2.375 5.428
218 HB3 CYS 27 HB3 CYS 27 5.109 -4.047 5.968
219 H ILE 28 H ILE 28 4.529 -4.928 1.930
220 HA ILE 28 HA ILE 28 4.218 -7.630 3.028
221 HB ILE 28 HB ILE 28 2.776 -6.504 1.031
222 HG12 ILE 28 HG12 ILE 28 2.078 -8.757 0.434
223 HG13 ILE 28 HG13 ILE 28 3.512 -9.426 1.212
224 HG21 ILE 28 HG21 ILE 28 4.977 -8.007 -0.361
225 HG22 ILE 28 HG22 ILE 28 4.632 -6.283 -0.490
226 HG23 ILE 28 HG23 ILE 28 3.474 -7.460 -1.107
227 HD11 ILE 28 HD11 ILE 28 1.557 -7.748 2.750
228 HD12 ILE 28 HD12 ILE 28 2.724 -8.936 3.343
229 HD13 ILE 28 HD13 ILE 28 1.283 -9.473 2.482
230 H ASN 29 H ASN 29 5.496 -9.189 1.325
231 HA ASN 29 HA ASN 29 8.163 -9.033 1.924
232 HB2 ASN 29 HB2 ASN 29 6.963 -10.278 -0.556
233 HB3 ASN 29 HB3 ASN 29 8.558 -10.634 0.096
234 HD21 ASN 29 HD21 ASN 29 5.174 -11.177 0.353
235 HD22 ASN 29 HD22 ASN 29 5.240 -12.362 1.613
236 H GLY 30 H GLY 30 8.936 -6.958 1.666
237 HA2 GLY 30 HA2 GLY 30 10.267 -5.412 0.627
238 HA3 GLY 30 HA3 GLY 30 10.258 -6.435 -0.799
239 H LYS 31 H LYS 31 7.074 -5.982 -0.239
240 HA LYS 31 HA LYS 31 7.066 -3.715 -2.128
241 HB2 LYS 31 HB2 LYS 31 6.850 -5.893 -3.262
242 HB3 LYS 31 HB3 LYS 31 5.432 -6.247 -2.293
243 HG2 LYS 31 HG2 LYS 31 4.151 -4.594 -3.384
244 HG3 LYS 31 HG3 LYS 31 5.581 -3.885 -4.141
245 HD2 LYS 31 HD2 LYS 31 4.298 -5.240 -5.731
246 HD3 LYS 31 HD3 LYS 31 5.907 -5.906 -5.457
247 HE2 LYS 31 HE2 LYS 31 4.775 -7.395 -3.697
248 HE3 LYS 31 HE3 LYS 31 3.261 -6.912 -4.458
249 HZ1 LYS 31 HZ1 LYS 31 4.220 -7.727 -6.588
250 HZ2 LYS 31 HZ2 LYS 31 3.960 -8.937 -5.437
251 HZ3 LYS 31 HZ3 LYS 31 5.523 -8.358 -5.712
252 H CYS 32 H CYS 32 5.000 -2.592 -2.318
253 HA CYS 32 HA CYS 32 3.595 -2.442 0.227
254 HB2 CYS 32 HB2 CYS 32 3.620 -0.731 -2.246
255 HB3 CYS 32 HB3 CYS 32 2.474 -0.447 -0.947
256 H ASP 33 H ASP 33 2.153 -4.023 0.429
257 HA ASP 33 HA ASP 33 0.361 -4.642 -1.817
258 HB2 ASP 33 HB2 ASP 33 1.434 -6.562 -0.802
259 HB3 ASP 33 HB3 ASP 33 0.855 -6.092 0.790
260 H CYS 34 H CYS 34 -1.688 -3.989 -1.815
261 HA CYS 34 HA CYS 34 -2.625 -2.547 0.546
262 HB2 CYS 34 HB2 CYS 34 -3.496 -2.490 -2.322
263 HB3 CYS 34 HB3 CYS 34 -4.468 -1.785 -1.046
264 H THR 35 H THR 35 -4.586 -2.851 1.462
265 HA THR 35 HA THR 35 -5.800 -5.490 0.985
266 HB THR 35 HB THR 35 -6.178 -3.574 3.276
267 HG1 THR 35 HG1 THR 35 -4.800 -4.973 4.423
268 HG21 THR 35 HG21 THR 35 -8.088 -5.066 2.897
269 HG22 THR 35 HG22 THR 35 -7.258 -5.419 4.415
270 HG23 THR 35 HG23 THR 35 -7.006 -6.458 3.011
271 HA PRO 36 HA PRO 36 -9.127 -3.084 -0.910
272 HB2 PRO 36 HB2 PRO 36 -10.325 -5.702 -1.424
273 HB3 PRO 36 HB3 PRO 36 -9.782 -4.483 -2.574
274 HG2 PRO 36 HG2 PRO 36 -8.499 -6.835 -2.245
275 HG3 PRO 36 HG3 PRO 36 -7.652 -5.338 -2.676
276 HD2 PRO 36 HD2 PRO 36 -7.890 -6.676 -0.005
277 HD3 PRO 36 HD3 PRO 36 -6.472 -5.921 -0.766
278 H LYS 37 H LYS 37 -11.488 -3.035 -0.568
279 HA LYS 37 HA LYS 37 -12.135 -3.582 2.202
280 HB2 LYS 37 HB2 LYS 37 -13.799 -2.276 0.040
281 HB3 LYS 37 HB3 LYS 37 -14.184 -2.314 1.753
282 HG2 LYS 37 HG2 LYS 37 -12.219 -0.965 2.239
283 HG3 LYS 37 HG3 LYS 37 -11.798 -0.949 0.525
284 HD2 LYS 37 HD2 LYS 37 -13.945 0.163 0.042
285 HD3 LYS 37 HD3 LYS 37 -14.294 0.202 1.770
286 HE2 LYS 37 HE2 LYS 37 -13.441 2.345 1.089
287 HE3 LYS 37 HE3 LYS 37 -12.247 1.545 2.109
288 HZ1 LYS 37 HZ1 LYS 37 -11.171 2.548 0.226
289 HZ2 LYS 37 HZ2 LYS 37 -12.190 1.741 -0.852
290 HZ3 LYS 37 HZ3 LYS 37 -11.078 0.867 0.069
Start of MODEL 13
1 H1 VAL 1 H1 VAL 1 -5.179 -7.221 -5.616
2 H2 VAL 1 H2 VAL 1 -3.662 -7.569 -4.955
3 H3 VAL 1 H3 VAL 1 -3.774 -6.720 -6.412
4 HA VAL 1 HA VAL 1 -4.748 -4.854 -5.338
5 HB VAL 1 HB VAL 1 -4.834 -4.823 -2.817
6 HG11 VAL 1 HG11 VAL 1 -7.039 -5.806 -2.727
7 HG12 VAL 1 HG12 VAL 1 -6.715 -6.750 -4.181
8 HG13 VAL 1 HG13 VAL 1 -6.828 -4.992 -4.276
9 HG21 VAL 1 HG21 VAL 1 -3.440 -6.859 -2.551
10 HG22 VAL 1 HG22 VAL 1 -4.800 -7.819 -3.132
11 HG23 VAL 1 HG23 VAL 1 -4.944 -6.900 -1.633
12 H GLY 2 H GLY 2 -2.168 -5.846 -6.175
13 HA2 GLY 2 HA2 GLY 2 -0.325 -4.823 -4.153
14 HA3 GLY 2 HA3 GLY 2 0.114 -5.610 -5.665
15 H ILE 3 H ILE 3 0.960 -3.016 -4.432
16 HA ILE 3 HA ILE 3 0.196 -1.288 -6.681
17 HB ILE 3 HB ILE 3 0.729 0.648 -5.181
18 HG12 ILE 3 HG12 ILE 3 0.701 -1.497 -3.044
19 HG13 ILE 3 HG13 ILE 3 2.090 -0.528 -3.524
20 HG21 ILE 3 HG21 ILE 3 -1.410 0.567 -3.984
21 HG22 ILE 3 HG22 ILE 3 -1.521 -1.162 -4.309
22 HG23 ILE 3 HG23 ILE 3 -1.565 -0.011 -5.643
23 HD11 ILE 3 HD11 ILE 3 0.974 1.481 -2.719
24 HD12 ILE 3 HD12 ILE 3 1.120 0.270 -1.445
25 HD13 ILE 3 HD13 ILE 3 -0.428 0.518 -2.251
26 H ASN 4 H ASN 4 1.847 0.363 -7.189
27 HA ASN 4 HA ASN 4 4.302 -0.956 -7.806
28 HB2 ASN 4 HB2 ASN 4 4.857 1.122 -9.001
29 HB3 ASN 4 HB3 ASN 4 3.229 0.575 -9.393
30 HD21 ASN 4 HD21 ASN 4 5.125 2.965 -7.719
31 HD22 ASN 4 HD22 ASN 4 3.843 4.096 -7.463
32 H VAL 5 H VAL 5 3.566 -0.015 -4.943
33 HA VAL 5 HA VAL 5 5.801 1.778 -4.393
34 HB VAL 5 HB VAL 5 3.657 0.792 -2.507
35 HG11 VAL 5 HG11 VAL 5 4.290 2.823 -1.216
36 HG12 VAL 5 HG12 VAL 5 5.661 3.028 -2.305
37 HG13 VAL 5 HG13 VAL 5 5.548 1.591 -1.289
38 HG21 VAL 5 HG21 VAL 5 2.514 2.882 -2.885
39 HG22 VAL 5 HG22 VAL 5 2.708 2.024 -4.413
40 HG23 VAL 5 HG23 VAL 5 3.755 3.390 -4.029
41 H LYS 6 H LYS 6 7.599 1.151 -3.381
42 HA LYS 6 HA LYS 6 7.995 -1.651 -2.762
43 HB2 LYS 6 HB2 LYS 6 9.754 -0.300 -3.873
44 HB3 LYS 6 HB3 LYS 6 9.839 0.724 -2.450
45 HG2 LYS 6 HG2 LYS 6 10.579 -1.202 -1.120
46 HG3 LYS 6 HG3 LYS 6 10.543 -2.198 -2.576
47 HD2 LYS 6 HD2 LYS 6 12.230 -0.792 -3.610
48 HD3 LYS 6 HD3 LYS 6 12.228 0.278 -2.206
49 HE2 LYS 6 HE2 LYS 6 13.031 -1.541 -0.802
50 HE3 LYS 6 HE3 LYS 6 12.990 -2.641 -2.179
51 HZ1 LYS 6 HZ1 LYS 6 15.219 -1.839 -1.787
52 HZ2 LYS 6 HZ2 LYS 6 14.708 -0.232 -1.922
53 HZ3 LYS 6 HZ3 LYS 6 14.654 -1.254 -3.271
54 H CYS 7 H CYS 7 8.535 -2.446 -0.676
55 HA CYS 7 HA CYS 7 7.147 -1.126 1.453
56 HB2 CYS 7 HB2 CYS 7 7.158 -3.541 1.441
57 HB3 CYS 7 HB3 CYS 7 8.918 -3.579 1.482
58 H LYS 8 H LYS 8 8.348 0.893 1.424
59 HA LYS 8 HA LYS 8 11.067 0.902 2.368
60 HB2 LYS 8 HB2 LYS 8 9.034 3.112 2.029
61 HB3 LYS 8 HB3 LYS 8 10.689 3.390 2.555
62 HG2 LYS 8 HG2 LYS 8 11.484 2.405 0.433
63 HG3 LYS 8 HG3 LYS 8 9.806 2.246 -0.088
64 HD2 LYS 8 HD2 LYS 8 9.526 4.674 0.122
65 HD3 LYS 8 HD3 LYS 8 11.216 4.819 0.610
66 HE2 LYS 8 HE2 LYS 8 11.900 3.869 -1.551
67 HE3 LYS 8 HE3 LYS 8 10.206 3.781 -2.035
68 HZ1 LYS 8 HZ1 LYS 8 10.091 6.210 -1.749
69 HZ2 LYS 8 HZ2 LYS 8 11.187 5.743 -2.947
70 HZ3 LYS 8 HZ3 LYS 8 11.751 6.240 -1.435
71 H HIS 9 H HIS 9 7.879 1.449 3.700
72 HA HIS 9 HA HIS 9 8.582 0.591 6.274
73 HB2 HIS 9 HB2 HIS 9 7.931 2.846 7.399
74 HB3 HIS 9 HB3 HIS 9 9.577 2.603 6.859
75 HD1 HIS 9 HD1 HIS 9 10.366 3.972 4.794
76 HD2 HIS 9 HD2 HIS 9 6.556 4.918 6.151
77 HE1 HIS 9 HE1 HIS 9 9.766 6.120 3.652
78 HE2 HIS 9 HE2 HIS 9 7.520 6.761 4.610
79 H SER 10 H SER 10 6.855 -0.291 7.071
80 HA SER 10 HA SER 10 4.427 -0.242 5.669
81 HB2 SER 10 HB2 SER 10 3.605 -1.631 7.586
82 HB3 SER 10 HB3 SER 10 5.114 -2.197 6.877
83 HG SER 10 HG SER 10 5.200 -0.417 9.047
84 H GLY 11 H GLY 11 3.354 1.588 5.525
85 HA2 GLY 11 HA2 GLY 11 1.624 2.748 7.134
86 HA3 GLY 11 HA3 GLY 11 3.122 3.395 7.801
87 H GLN 12 H GLN 12 4.470 3.403 5.228
88 HA GLN 12 HA GLN 12 3.882 5.984 4.308
89 HB2 GLN 12 HB2 GLN 12 6.043 4.973 3.927
90 HB3 GLN 12 HB3 GLN 12 5.324 3.700 2.953
91 HG2 GLN 12 HG2 GLN 12 4.629 5.440 1.316
92 HG3 GLN 12 HG3 GLN 12 5.523 6.623 2.271
93 HE21 GLN 12 HE21 GLN 12 5.759 3.872 0.166
94 HE22 GLN 12 HE22 GLN 12 7.443 4.028 -0.179
95 H CYS 13 H CYS 13 2.587 2.885 3.357
96 HA CYS 13 HA CYS 13 1.905 3.635 0.706
97 HB2 CYS 13 HB2 CYS 13 1.021 1.319 2.408
98 HB3 CYS 13 HB3 CYS 13 0.592 1.510 0.712
99 H LEU 14 H LEU 14 0.454 4.458 3.606
100 HA LEU 14 HA LEU 14 -2.270 4.235 3.025
101 HB2 LEU 14 HB2 LEU 14 -0.628 5.947 4.812
102 HB3 LEU 14 HB3 LEU 14 -2.276 6.445 4.515
103 HG LEU 14 HG LEU 14 -2.023 5.121 6.590
104 HD11 LEU 14 HD11 LEU 14 -4.091 5.179 5.168
105 HD12 LEU 14 HD12 LEU 14 -3.953 3.812 6.272
106 HD13 LEU 14 HD13 LEU 14 -3.616 3.599 4.552
107 HD21 LEU 14 HD21 LEU 14 -1.446 2.775 4.785
108 HD22 LEU 14 HD22 LEU 14 -1.502 2.797 6.550
109 HD23 LEU 14 HD23 LEU 14 -0.203 3.634 5.699
110 H LYS 15 H LYS 15 0.085 6.688 2.157
111 HA LYS 15 HA LYS 15 -1.779 8.516 1.050
112 HB2 LYS 15 HB2 LYS 15 1.183 8.295 0.516
113 HB3 LYS 15 HB3 LYS 15 0.170 9.685 0.160
114 HG2 LYS 15 HG2 LYS 15 0.748 8.586 2.904
115 HG3 LYS 15 HG3 LYS 15 1.488 10.017 2.185
116 HD2 LYS 15 HD2 LYS 15 -0.658 11.128 2.096
117 HD3 LYS 15 HD3 LYS 15 -1.464 9.674 2.682
118 HE2 LYS 15 HE2 LYS 15 -0.231 9.841 4.790
119 HE3 LYS 15 HE3 LYS 15 0.569 11.299 4.204
120 HZ1 LYS 15 HZ1 LYS 15 -2.349 10.978 4.649
121 HZ2 LYS 15 HZ2 LYS 15 -1.596 12.372 4.063
122 HZ3 LYS 15 HZ3 LYS 15 -1.283 11.845 5.638
123 HA PRO 16 HA PRO 16 -0.556 6.839 -3.278
124 HB2 PRO 16 HB2 PRO 16 0.776 4.479 -3.473
125 HB3 PRO 16 HB3 PRO 16 1.587 6.048 -3.393
126 HG2 PRO 16 HG2 PRO 16 1.134 4.032 -1.235
127 HG3 PRO 16 HG3 PRO 16 2.577 5.003 -1.576
128 HD2 PRO 16 HD2 PRO 16 0.804 5.626 0.386
129 HD3 PRO 16 HD3 PRO 16 1.743 6.846 -0.493
130 H CYS 17 H CYS 17 -1.375 4.498 -0.773
131 HA CYS 17 HA CYS 17 -2.660 2.682 -2.583
132 HB2 CYS 17 HB2 CYS 17 -1.649 1.953 -0.438
133 HB3 CYS 17 HB3 CYS 17 -2.920 2.816 0.422
134 H LYS 18 H LYS 18 -3.803 5.269 -0.422
135 HA LYS 18 HA LYS 18 -6.552 4.796 -0.824
136 HB2 LYS 18 HB2 LYS 18 -6.898 7.072 -0.077
137 HB3 LYS 18 HB3 LYS 18 -5.656 6.321 0.910
138 HG2 LYS 18 HG2 LYS 18 -3.933 7.506 -0.198
139 HG3 LYS 18 HG3 LYS 18 -5.043 8.072 -1.448
140 HD2 LYS 18 HD2 LYS 18 -6.246 9.396 0.224
141 HD3 LYS 18 HD3 LYS 18 -5.152 8.810 1.479
142 HE2 LYS 18 HE2 LYS 18 -3.271 9.862 0.362
143 HE3 LYS 18 HE3 LYS 18 -4.322 10.395 -0.948
144 HZ1 LYS 18 HZ1 LYS 18 -5.529 11.769 0.623
145 HZ2 LYS 18 HZ2 LYS 18 -3.887 12.166 0.632
146 HZ3 LYS 18 HZ3 LYS 18 -4.537 11.244 1.889
147 H LYS 19 H LYS 19 -4.096 6.084 -2.838
148 HA LYS 19 HA LYS 19 -5.887 7.441 -4.668
149 HB2 LYS 19 HB2 LYS 19 -2.951 6.758 -4.956
150 HB3 LYS 19 HB3 LYS 19 -3.865 7.830 -6.006
151 HG2 LYS 19 HG2 LYS 19 -4.175 9.397 -4.186
152 HG3 LYS 19 HG3 LYS 19 -3.345 8.303 -3.078
153 HD2 LYS 19 HD2 LYS 19 -1.312 8.485 -4.472
154 HD3 LYS 19 HD3 LYS 19 -2.151 9.642 -5.506
155 HE2 LYS 19 HE2 LYS 19 -1.690 10.019 -2.552
156 HE3 LYS 19 HE3 LYS 19 -0.654 10.686 -3.813
157 HZ1 LYS 19 HZ1 LYS 19 -3.550 11.276 -3.526
158 HZ2 LYS 19 HZ2 LYS 19 -2.483 11.981 -4.630
159 HZ3 LYS 19 HZ3 LYS 19 -2.305 12.277 -2.975
160 H ALA 20 H ALA 20 -4.769 4.333 -4.068
161 HA ALA 20 HA ALA 20 -5.120 3.331 -6.774
162 HB1 ALA 20 HB1 ALA 20 -4.516 1.953 -4.153
163 HB2 ALA 20 HB2 ALA 20 -3.386 2.303 -5.464
164 HB3 ALA 20 HB3 ALA 20 -4.669 1.119 -5.701
165 H GLY 21 H GLY 21 -7.031 4.098 -4.136
166 HA2 GLY 21 HA2 GLY 21 -9.354 3.910 -3.976
167 HA3 GLY 21 HA3 GLY 21 -9.321 2.707 -5.261
168 H MET 22 H MET 22 -7.076 2.328 -2.700
169 HA MET 22 HA MET 22 -8.738 0.168 -1.601
170 HB2 MET 22 HB2 MET 22 -5.715 0.212 -1.661
171 HB3 MET 22 HB3 MET 22 -6.756 -1.130 -1.219
172 HG2 MET 22 HG2 MET 22 -7.606 -1.242 -3.505
173 HG3 MET 22 HG3 MET 22 -6.560 0.099 -3.957
174 HE1 MET 22 HE1 MET 22 -4.782 -2.773 -5.825
175 HE2 MET 22 HE2 MET 22 -5.487 -1.158 -5.923
176 HE3 MET 22 HE3 MET 22 -6.522 -2.555 -5.636
177 H ARG 23 H ARG 23 -7.710 -0.445 0.728
178 HA ARG 23 HA ARG 23 -8.362 1.987 2.158
179 HB2 ARG 23 HB2 ARG 23 -9.376 -0.323 2.564
180 HB3 ARG 23 HB3 ARG 23 -7.872 -0.719 3.377
181 HG2 ARG 23 HG2 ARG 23 -8.364 0.521 5.184
182 HG3 ARG 23 HG3 ARG 23 -9.187 1.764 4.243
183 HD2 ARG 23 HD2 ARG 23 -10.670 0.436 5.766
184 HD3 ARG 23 HD3 ARG 23 -11.161 0.451 4.075
185 HE ARG 23 HE ARG 23 -10.160 -1.801 3.911
186 HH11 ARG 23 HH11 ARG 23 -11.016 -0.570 7.081
187 HH12 ARG 23 HH12 ARG 23 -11.251 -2.149 7.762
188 HH21 ARG 23 HH21 ARG 23 -10.496 -3.861 4.802
189 HH22 ARG 23 HH22 ARG 23 -10.953 -4.017 6.470
190 H PHE 24 H PHE 24 -6.000 -0.522 3.118
191 HA PHE 24 HA PHE 24 -4.046 1.642 3.548
192 HB2 PHE 24 HB2 PHE 24 -3.520 -0.697 5.186
193 HB3 PHE 24 HB3 PHE 24 -3.621 0.990 5.659
194 HD1 PHE 24 HD1 PHE 24 -5.475 -2.093 5.160
195 HD2 PHE 24 HD2 PHE 24 -5.592 1.844 6.725
196 HE1 PHE 24 HE1 PHE 24 -7.564 -2.633 6.291
197 HE2 PHE 24 HE2 PHE 24 -7.688 1.314 7.904
198 HZ PHE 24 HZ PHE 24 -8.681 -0.933 7.692
199 H GLY 25 H GLY 25 -1.785 0.493 3.892
200 HA2 GLY 25 HA2 GLY 25 -1.471 -1.606 1.865
201 HA3 GLY 25 HA3 GLY 25 -0.470 -0.163 1.806
202 H LYS 26 H LYS 26 -0.595 -3.296 2.816
203 HA LYS 26 HA LYS 26 1.106 -2.933 5.158
204 HB2 LYS 26 HB2 LYS 26 0.761 -5.203 5.631
205 HB3 LYS 26 HB3 LYS 26 -0.780 -4.679 4.977
206 HG2 LYS 26 HG2 LYS 26 -0.188 -5.645 2.810
207 HG3 LYS 26 HG3 LYS 26 1.357 -6.176 3.473
208 HD2 LYS 26 HD2 LYS 26 -1.359 -7.041 4.464
209 HD3 LYS 26 HD3 LYS 26 -0.309 -7.988 3.411
210 HE2 LYS 26 HE2 LYS 26 0.408 -7.066 6.192
211 HE3 LYS 26 HE3 LYS 26 -0.191 -8.670 5.786
212 HZ1 LYS 26 HZ1 LYS 26 2.328 -7.473 4.753
213 HZ2 LYS 26 HZ2 LYS 26 1.757 -9.030 4.420
214 HZ3 LYS 26 HZ3 LYS 26 2.221 -8.621 5.989
215 H CYS 27 H CYS 27 3.076 -4.352 5.273
216 HA CYS 27 HA CYS 27 4.678 -3.915 2.914
217 HB2 CYS 27 HB2 CYS 27 5.614 -3.509 5.161
218 HB3 CYS 27 HB3 CYS 27 5.387 -5.211 5.555
219 H ILE 28 H ILE 28 5.294 -5.419 1.466
220 HA ILE 28 HA ILE 28 4.689 -8.231 2.073
221 HB ILE 28 HB ILE 28 3.405 -6.757 0.132
222 HG12 ILE 28 HG12 ILE 28 2.641 -8.971 -0.708
223 HG13 ILE 28 HG13 ILE 28 3.892 -9.734 0.268
224 HG21 ILE 28 HG21 ILE 28 5.527 -8.387 -1.254
225 HG22 ILE 28 HG22 ILE 28 5.376 -6.628 -1.277
226 HG23 ILE 28 HG23 ILE 28 4.135 -7.629 -2.033
227 HD11 ILE 28 HD11 ILE 28 2.806 -8.622 2.266
228 HD12 ILE 28 HD12 ILE 28 1.898 -9.917 1.493
229 HD13 ILE 28 HD13 ILE 28 1.464 -8.237 1.193
230 H ASN 29 H ASN 29 6.002 -9.617 0.293
231 HA ASN 29 HA ASN 29 8.404 -9.915 1.411
232 HB2 ASN 29 HB2 ASN 29 9.123 -11.248 -0.467
233 HB3 ASN 29 HB3 ASN 29 7.402 -11.487 -0.202
234 HD21 ASN 29 HD21 ASN 29 5.938 -10.794 -1.743
235 HD22 ASN 29 HD22 ASN 29 6.425 -10.284 -3.323
236 H GLY 30 H GLY 30 7.996 -7.922 -1.498
237 HA2 GLY 30 HA2 GLY 30 10.314 -6.382 -0.542
238 HA3 GLY 30 HA3 GLY 30 10.242 -6.878 -2.227
239 H LYS 31 H LYS 31 7.139 -6.357 -1.313
240 HA LYS 31 HA LYS 31 7.236 -3.673 -2.531
241 HB2 LYS 31 HB2 LYS 31 5.269 -5.869 -3.212
242 HB3 LYS 31 HB3 LYS 31 5.290 -4.251 -3.896
243 HG2 LYS 31 HG2 LYS 31 7.384 -6.382 -4.262
244 HG3 LYS 31 HG3 LYS 31 6.226 -5.812 -5.467
245 HD2 LYS 31 HD2 LYS 31 7.254 -3.549 -5.284
246 HD3 LYS 31 HD3 LYS 31 8.482 -4.242 -4.223
247 HE2 LYS 31 HE2 LYS 31 9.375 -4.130 -6.444
248 HE3 LYS 31 HE3 LYS 31 9.079 -5.822 -6.046
249 HZ1 LYS 31 HZ1 LYS 31 7.082 -5.784 -7.342
250 HZ2 LYS 31 HZ2 LYS 31 8.344 -5.198 -8.300
251 HZ3 LYS 31 HZ3 LYS 31 7.227 -4.125 -7.626
252 H CYS 32 H CYS 32 4.574 -3.131 -2.591
253 HA CYS 32 HA CYS 32 3.729 -3.439 0.205
254 HB2 CYS 32 HB2 CYS 32 4.352 -1.104 -0.518
255 HB3 CYS 32 HB3 CYS 32 2.989 -1.156 -1.635
256 H ASP 33 H ASP 33 1.920 -4.489 0.516
257 HA ASP 33 HA ASP 33 0.106 -4.919 -1.777
258 HB2 ASP 33 HB2 ASP 33 1.140 -6.976 -0.952
259 HB3 ASP 33 HB3 ASP 33 0.535 -6.653 0.666
260 H CYS 34 H CYS 34 -1.872 -4.122 -1.643
261 HA CYS 34 HA CYS 34 -2.506 -2.592 0.737
262 HB2 CYS 34 HB2 CYS 34 -3.551 -2.614 -2.056
263 HB3 CYS 34 HB3 CYS 34 -4.473 -1.846 -0.774
264 H THR 35 H THR 35 -4.539 -2.545 1.720
265 HA THR 35 HA THR 35 -5.948 -5.129 1.631
266 HB THR 35 HB THR 35 -5.889 -3.000 3.762
267 HG1 THR 35 HG1 THR 35 -4.213 -5.015 3.220
268 HG21 THR 35 HG21 THR 35 -8.030 -4.243 3.657
269 HG22 THR 35 HG22 THR 35 -7.135 -4.518 5.156
270 HG23 THR 35 HG23 THR 35 -7.125 -5.743 3.888
271 HA PRO 36 HA PRO 36 -9.202 -2.699 -0.210
272 HB2 PRO 36 HB2 PRO 36 -11.011 -4.645 -0.460
273 HB3 PRO 36 HB3 PRO 36 -9.562 -4.612 -1.462
274 HG2 PRO 36 HG2 PRO 36 -10.106 -6.203 1.022
275 HG3 PRO 36 HG3 PRO 36 -9.397 -6.741 -0.510
276 HD2 PRO 36 HD2 PRO 36 -7.901 -6.101 1.663
277 HD3 PRO 36 HD3 PRO 36 -7.328 -5.875 -0.002
278 H LYS 37 H LYS 37 -11.739 -2.705 0.222
279 HA LYS 37 HA LYS 37 -12.015 -2.042 3.037
280 HB2 LYS 37 HB2 LYS 37 -14.241 -1.072 2.237
281 HB3 LYS 37 HB3 LYS 37 -12.772 -0.292 1.669
282 HG2 LYS 37 HG2 LYS 37 -12.973 -1.528 -0.453
283 HG3 LYS 37 HG3 LYS 37 -14.491 -2.219 0.120
284 HD2 LYS 37 HD2 LYS 37 -15.505 -0.045 0.213
285 HD3 LYS 37 HD3 LYS 37 -13.966 0.737 -0.152
286 HE2 LYS 37 HE2 LYS 37 -15.495 -1.113 -1.977
287 HE3 LYS 37 HE3 LYS 37 -15.403 0.642 -2.123
288 HZ1 LYS 37 HZ1 LYS 37 -13.859 -0.358 -3.630
289 HZ2 LYS 37 HZ2 LYS 37 -13.157 -1.280 -2.401
290 HZ3 LYS 37 HZ3 LYS 37 -12.979 0.402 -2.401
Start of MODEL 14
1 H1 VAL 1 H1 VAL 1 -3.493 -7.532 -5.005
2 H2 VAL 1 H2 VAL 1 -3.506 -6.668 -6.460
3 H3 VAL 1 H3 VAL 1 -4.859 -7.568 -6.000
4 HA VAL 1 HA VAL 1 -5.214 -5.222 -5.651
5 HB VAL 1 HB VAL 1 -5.831 -5.295 -3.237
6 HG11 VAL 1 HG11 VAL 1 -7.515 -7.005 -3.506
7 HG12 VAL 1 HG12 VAL 1 -6.604 -7.742 -4.820
8 HG13 VAL 1 HG13 VAL 1 -7.307 -6.138 -5.024
9 HG21 VAL 1 HG21 VAL 1 -3.922 -6.698 -2.541
10 HG22 VAL 1 HG22 VAL 1 -4.676 -8.076 -3.341
11 HG23 VAL 1 HG23 VAL 1 -5.475 -7.307 -1.970
12 H GLY 2 H GLY 2 -2.116 -6.026 -5.260
13 HA2 GLY 2 HA2 GLY 2 -1.364 -4.036 -3.303
14 HA3 GLY 2 HA3 GLY 2 -0.274 -5.033 -4.254
15 H ILE 3 H ILE 3 0.702 -2.714 -4.163
16 HA ILE 3 HA ILE 3 -0.112 -1.367 -6.645
17 HB ILE 3 HB ILE 3 0.709 0.774 -5.564
18 HG12 ILE 3 HG12 ILE 3 0.457 -0.938 -3.085
19 HG13 ILE 3 HG13 ILE 3 1.915 -0.153 -3.681
20 HG21 ILE 3 HG21 ILE 3 -1.421 1.129 -4.323
21 HG22 ILE 3 HG22 ILE 3 -1.761 -0.591 -4.524
22 HG23 ILE 3 HG23 ILE 3 -1.624 0.453 -5.940
23 HD11 ILE 3 HD11 ILE 3 0.996 2.014 -3.187
24 HD12 ILE 3 HD12 ILE 3 0.906 0.992 -1.754
25 HD13 ILE 3 HD13 ILE 3 -0.541 1.293 -2.718
26 H ASN 4 H ASN 4 1.655 -0.038 -7.556
27 HA ASN 4 HA ASN 4 3.905 -1.714 -7.997
28 HB2 ASN 4 HB2 ASN 4 4.642 0.018 -9.550
29 HB3 ASN 4 HB3 ASN 4 2.920 -0.289 -9.754
30 HD21 ASN 4 HD21 ASN 4 5.325 1.976 -8.655
31 HD22 ASN 4 HD22 ASN 4 4.264 3.333 -8.508
32 H VAL 5 H VAL 5 3.388 0.044 -5.387
33 HA VAL 5 HA VAL 5 5.874 1.521 -5.238
34 HB VAL 5 HB VAL 5 3.870 1.072 -3.030
35 HG11 VAL 5 HG11 VAL 5 4.709 3.164 -2.148
36 HG12 VAL 5 HG12 VAL 5 5.823 3.313 -3.508
37 HG13 VAL 5 HG13 VAL 5 6.023 2.004 -2.342
38 HG21 VAL 5 HG21 VAL 5 2.673 2.994 -3.702
39 HG22 VAL 5 HG22 VAL 5 2.817 1.959 -5.125
40 HG23 VAL 5 HG23 VAL 5 3.853 3.376 -4.956
41 H LYS 6 H LYS 6 7.657 0.899 -4.118
42 HA LYS 6 HA LYS 6 7.697 -1.794 -3.028
43 HB2 LYS 6 HB2 LYS 6 9.884 0.226 -3.528
44 HB3 LYS 6 HB3 LYS 6 10.163 -1.345 -2.787
45 HG2 LYS 6 HG2 LYS 6 9.358 -2.456 -4.794
46 HG3 LYS 6 HG3 LYS 6 9.023 -0.893 -5.539
47 HD2 LYS 6 HD2 LYS 6 11.748 -1.813 -4.632
48 HD3 LYS 6 HD3 LYS 6 11.157 -1.920 -6.291
49 HE2 LYS 6 HE2 LYS 6 11.503 0.614 -4.688
50 HE3 LYS 6 HE3 LYS 6 12.565 0.048 -5.975
51 HZ1 LYS 6 HZ1 LYS 6 9.707 0.785 -6.292
52 HZ2 LYS 6 HZ2 LYS 6 10.719 0.229 -7.524
53 HZ3 LYS 6 HZ3 LYS 6 11.029 1.714 -6.784
54 H CYS 7 H CYS 7 8.045 -2.292 -0.924
55 HA CYS 7 HA CYS 7 7.134 -0.367 0.974
56 HB2 CYS 7 HB2 CYS 7 6.407 -2.535 1.433
57 HB3 CYS 7 HB3 CYS 7 7.989 -3.240 1.114
58 H LYS 8 H LYS 8 8.583 1.294 1.377
59 HA LYS 8 HA LYS 8 11.222 0.570 2.380
60 HB2 LYS 8 HB2 LYS 8 9.835 3.232 2.041
61 HB3 LYS 8 HB3 LYS 8 11.399 3.060 2.824
62 HG2 LYS 8 HG2 LYS 8 12.299 2.102 0.735
63 HG3 LYS 8 HG3 LYS 8 10.737 2.390 -0.036
64 HD2 LYS 8 HD2 LYS 8 10.948 4.760 0.287
65 HD3 LYS 8 HD3 LYS 8 12.403 4.543 1.258
66 HE2 LYS 8 HE2 LYS 8 13.000 5.279 -0.966
67 HE3 LYS 8 HE3 LYS 8 13.555 3.627 -0.711
68 HZ1 LYS 8 HZ1 LYS 8 12.552 3.906 -2.889
69 HZ2 LYS 8 HZ2 LYS 8 11.101 4.409 -2.186
70 HZ3 LYS 8 HZ3 LYS 8 11.650 2.828 -1.950
71 H HIS 9 H HIS 9 8.149 1.902 3.455
72 HA HIS 9 HA HIS 9 8.657 0.969 6.171
73 HB2 HIS 9 HB2 HIS 9 7.586 3.763 5.736
74 HB3 HIS 9 HB3 HIS 9 8.155 3.037 7.234
75 HD1 HIS 9 HD1 HIS 9 9.286 4.895 4.252
76 HD2 HIS 9 HD2 HIS 9 11.002 2.927 7.484
77 HE1 HIS 9 HE1 HIS 9 11.711 5.512 4.198
78 HE2 HIS 9 HE2 HIS 9 12.696 4.464 6.272
79 H SER 10 H SER 10 6.616 0.733 7.379
80 HA SER 10 HA SER 10 4.633 -0.373 5.733
81 HB2 SER 10 HB2 SER 10 3.287 -0.324 7.964
82 HB3 SER 10 HB3 SER 10 4.736 -1.323 7.846
83 HG SER 10 HG SER 10 4.270 0.985 9.321
84 H GLY 11 H GLY 11 4.582 2.647 7.617
85 HA2 GLY 11 HA2 GLY 11 1.962 3.392 6.806
86 HA3 GLY 11 HA3 GLY 11 3.154 4.446 7.551
87 H GLN 12 H GLN 12 4.924 3.450 5.167
88 HA GLN 12 HA GLN 12 4.528 5.771 3.568
89 HB2 GLN 12 HB2 GLN 12 6.748 4.667 3.897
90 HB3 GLN 12 HB3 GLN 12 6.173 3.320 2.929
91 HG2 GLN 12 HG2 GLN 12 5.805 4.891 1.062
92 HG3 GLN 12 HG3 GLN 12 6.577 6.147 2.025
93 HE21 GLN 12 HE21 GLN 12 7.020 3.244 0.202
94 HE22 GLN 12 HE22 GLN 12 8.746 3.318 0.119
95 H CYS 13 H CYS 13 3.474 2.463 3.407
96 HA CYS 13 HA CYS 13 2.849 2.540 0.600
97 HB2 CYS 13 HB2 CYS 13 2.163 0.504 2.728
98 HB3 CYS 13 HB3 CYS 13 1.908 0.289 0.998
99 H LEU 14 H LEU 14 1.274 3.321 3.543
100 HA LEU 14 HA LEU 14 -1.420 3.103 2.742
101 HB2 LEU 14 HB2 LEU 14 0.080 4.299 4.929
102 HB3 LEU 14 HB3 LEU 14 -1.296 5.274 4.474
103 HG LEU 14 HG LEU 14 -1.873 3.788 6.297
104 HD11 LEU 14 HD11 LEU 14 -3.468 4.358 4.433
105 HD12 LEU 14 HD12 LEU 14 -3.887 2.967 5.431
106 HD13 LEU 14 HD13 LEU 14 -3.195 2.727 3.825
107 HD21 LEU 14 HD21 LEU 14 -1.318 1.481 4.446
108 HD22 LEU 14 HD22 LEU 14 -1.803 1.416 6.140
109 HD23 LEU 14 HD23 LEU 14 -0.203 2.016 5.705
110 H LYS 15 H LYS 15 1.023 5.545 2.221
111 HA LYS 15 HA LYS 15 -0.643 7.737 1.728
112 HB2 LYS 15 HB2 LYS 15 2.183 7.133 0.896
113 HB3 LYS 15 HB3 LYS 15 1.401 8.661 0.541
114 HG2 LYS 15 HG2 LYS 15 1.124 9.113 2.891
115 HG3 LYS 15 HG3 LYS 15 1.756 7.518 3.301
116 HD2 LYS 15 HD2 LYS 15 3.465 9.213 3.622
117 HD3 LYS 15 HD3 LYS 15 3.915 8.136 2.301
118 HE2 LYS 15 HE2 LYS 15 3.123 9.789 0.685
119 HE3 LYS 15 HE3 LYS 15 2.668 10.864 2.005
120 HZ1 LYS 15 HZ1 LYS 15 4.985 10.979 2.664
121 HZ2 LYS 15 HZ2 LYS 15 4.802 11.475 1.058
122 HZ3 LYS 15 HZ3 LYS 15 5.425 9.942 1.404
123 HA PRO 16 HA PRO 16 -0.450 6.894 -2.997
124 HB2 PRO 16 HB2 PRO 16 0.652 4.574 -3.882
125 HB3 PRO 16 HB3 PRO 16 1.582 6.061 -3.674
126 HG2 PRO 16 HG2 PRO 16 1.371 3.691 -1.857
127 HG3 PRO 16 HG3 PRO 16 2.804 4.628 -2.314
128 HD2 PRO 16 HD2 PRO 16 1.531 4.994 0.044
129 HD3 PRO 16 HD3 PRO 16 2.340 6.309 -0.820
130 H CYS 17 H CYS 17 -1.118 4.458 -0.664
131 HA CYS 17 HA CYS 17 -2.618 2.697 -2.318
132 HB2 CYS 17 HB2 CYS 17 -1.529 2.109 -0.119
133 HB3 CYS 17 HB3 CYS 17 -2.842 2.971 0.676
134 H LYS 18 H LYS 18 -3.460 5.470 -0.297
135 HA LYS 18 HA LYS 18 -6.253 5.181 -0.452
136 HB2 LYS 18 HB2 LYS 18 -6.387 7.506 0.170
137 HB3 LYS 18 HB3 LYS 18 -5.091 6.751 1.082
138 HG2 LYS 18 HG2 LYS 18 -3.431 7.778 -0.260
139 HG3 LYS 18 HG3 LYS 18 -4.628 8.316 -1.439
140 HD2 LYS 18 HD2 LYS 18 -5.630 9.772 0.278
141 HD3 LYS 18 HD3 LYS 18 -4.386 9.257 1.419
142 HE2 LYS 18 HE2 LYS 18 -3.842 10.628 -1.211
143 HE3 LYS 18 HE3 LYS 18 -3.911 11.446 0.348
144 HZ1 LYS 18 HZ1 LYS 18 -2.066 10.099 1.104
145 HZ2 LYS 18 HZ2 LYS 18 -1.638 10.935 -0.300
146 HZ3 LYS 18 HZ3 LYS 18 -2.004 9.285 -0.377
147 H LYS 19 H LYS 19 -3.903 6.233 -2.754
148 HA LYS 19 HA LYS 19 -5.877 7.491 -4.489
149 HB2 LYS 19 HB2 LYS 19 -2.926 6.993 -4.944
150 HB3 LYS 19 HB3 LYS 19 -3.973 7.979 -5.954
151 HG2 LYS 19 HG2 LYS 19 -3.285 8.545 -3.078
152 HG3 LYS 19 HG3 LYS 19 -2.562 9.328 -4.481
153 HD2 LYS 19 HD2 LYS 19 -5.511 9.394 -3.852
154 HD3 LYS 19 HD3 LYS 19 -4.374 10.646 -3.357
155 HE2 LYS 19 HE2 LYS 19 -4.923 9.805 -6.202
156 HE3 LYS 19 HE3 LYS 19 -5.579 11.239 -5.417
157 HZ1 LYS 19 HZ1 LYS 19 -3.276 12.014 -5.096
158 HZ2 LYS 19 HZ2 LYS 19 -3.684 11.845 -6.726
159 HZ3 LYS 19 HZ3 LYS 19 -2.717 10.684 -5.977
160 H ALA 20 H ALA 20 -4.544 4.481 -3.870
161 HA ALA 20 HA ALA 20 -4.835 3.338 -6.495
162 HB1 ALA 20 HB1 ALA 20 -4.470 2.068 -3.781
163 HB2 ALA 20 HB2 ALA 20 -3.208 2.406 -4.969
164 HB3 ALA 20 HB3 ALA 20 -4.444 1.196 -5.315
165 H GLY 21 H GLY 21 -6.827 3.964 -3.775
166 HA2 GLY 21 HA2 GLY 21 -9.181 3.880 -3.808
167 HA3 GLY 21 HA3 GLY 21 -9.100 2.727 -5.134
168 H MET 22 H MET 22 -6.954 2.115 -2.559
169 HA MET 22 HA MET 22 -8.626 -0.159 -1.776
170 HB2 MET 22 HB2 MET 22 -5.670 0.343 -1.431
171 HB3 MET 22 HB3 MET 22 -6.514 -1.047 -0.769
172 HG2 MET 22 HG2 MET 22 -6.344 -0.353 -3.689
173 HG3 MET 22 HG3 MET 22 -5.360 -1.557 -2.861
174 HE1 MET 22 HE1 MET 22 -7.140 -2.095 -5.488
175 HE2 MET 22 HE2 MET 22 -7.792 -3.684 -5.093
176 HE3 MET 22 HE3 MET 22 -6.109 -3.307 -4.729
177 H ARG 23 H ARG 23 -7.874 -0.827 0.666
178 HA ARG 23 HA ARG 23 -8.996 1.394 2.182
179 HB2 ARG 23 HB2 ARG 23 -9.955 -0.925 2.290
180 HB3 ARG 23 HB3 ARG 23 -8.484 -1.436 3.099
181 HG2 ARG 23 HG2 ARG 23 -9.027 -0.418 5.044
182 HG3 ARG 23 HG3 ARG 23 -9.937 0.864 4.247
183 HD2 ARG 23 HD2 ARG 23 -11.361 -0.700 5.544
184 HD3 ARG 23 HD3 ARG 23 -11.781 -0.624 3.838
185 HE ARG 23 HE ARG 23 -10.446 -2.747 3.635
186 HH11 ARG 23 HH11 ARG 23 -11.955 -1.833 6.666
187 HH12 ARG 23 HH12 ARG 23 -12.164 -3.470 7.197
188 HH21 ARG 23 HH21 ARG 23 -10.711 -4.895 4.341
189 HH22 ARG 23 HH22 ARG 23 -11.440 -5.214 5.883
190 H PHE 24 H PHE 24 -6.485 -1.033 2.936
191 HA PHE 24 HA PHE 24 -4.800 1.175 3.902
192 HB2 PHE 24 HB2 PHE 24 -4.156 -1.437 5.054
193 HB3 PHE 24 HB3 PHE 24 -4.318 0.125 5.847
194 HD1 PHE 24 HD1 PHE 24 -6.032 -2.871 4.751
195 HD2 PHE 24 HD2 PHE 24 -6.383 0.740 6.933
196 HE1 PHE 24 HE1 PHE 24 -8.126 -3.681 5.692
197 HE2 PHE 24 HE2 PHE 24 -8.496 -0.058 7.917
198 HZ PHE 24 HZ PHE 24 -9.373 -2.280 7.302
199 H GLY 25 H GLY 25 -2.506 0.667 3.795
200 HA2 GLY 25 HA2 GLY 25 -1.815 -1.241 1.672
201 HA3 GLY 25 HA3 GLY 25 -1.127 0.376 1.721
202 H LYS 26 H LYS 26 -0.983 -2.825 2.973
203 HA LYS 26 HA LYS 26 0.803 -2.039 5.133
204 HB2 LYS 26 HB2 LYS 26 0.690 -4.423 5.796
205 HB3 LYS 26 HB3 LYS 26 -0.880 -3.642 5.741
206 HG2 LYS 26 HG2 LYS 26 -1.321 -4.693 3.573
207 HG3 LYS 26 HG3 LYS 26 0.262 -5.477 3.652
208 HD2 LYS 26 HD2 LYS 26 -0.363 -6.831 5.447
209 HD3 LYS 26 HD3 LYS 26 -1.742 -5.813 5.859
210 HE2 LYS 26 HE2 LYS 26 -2.564 -7.831 4.881
211 HE3 LYS 26 HE3 LYS 26 -2.821 -6.522 3.732
212 HZ1 LYS 26 HZ1 LYS 26 -0.998 -7.275 2.428
213 HZ2 LYS 26 HZ2 LYS 26 -1.963 -8.624 2.762
214 HZ3 LYS 26 HZ3 LYS 26 -0.522 -8.391 3.612
215 H CYS 27 H CYS 27 2.803 -3.221 5.454
216 HA CYS 27 HA CYS 27 4.299 -3.188 2.988
217 HB2 CYS 27 HB2 CYS 27 4.898 -2.885 5.818
218 HB3 CYS 27 HB3 CYS 27 6.070 -3.907 4.988
219 H ILE 28 H ILE 28 4.426 -4.890 1.783
220 HA ILE 28 HA ILE 28 4.569 -7.541 3.012
221 HB ILE 28 HB ILE 28 3.140 -6.489 0.750
222 HG12 ILE 28 HG12 ILE 28 2.001 -8.664 0.852
223 HG13 ILE 28 HG13 ILE 28 3.225 -9.247 1.973
224 HG21 ILE 28 HG21 ILE 28 5.084 -8.671 0.093
225 HG22 ILE 28 HG22 ILE 28 4.833 -7.136 -0.739
226 HG23 ILE 28 HG23 ILE 28 3.603 -8.397 -0.827
227 HD11 ILE 28 HD11 ILE 28 2.529 -7.425 3.532
228 HD12 ILE 28 HD12 ILE 28 1.298 -8.640 3.219
229 HD13 ILE 28 HD13 ILE 28 1.205 -7.071 2.427
230 H ASN 29 H ASN 29 6.010 -9.062 1.673
231 HA ASN 29 HA ASN 29 8.633 -8.462 1.890
232 HB2 ASN 29 HB2 ASN 29 9.036 -10.279 0.180
233 HB3 ASN 29 HB3 ASN 29 7.994 -10.706 1.529
234 HD21 ASN 29 HD21 ASN 29 5.830 -11.117 1.176
235 HD22 ASN 29 HD22 ASN 29 5.180 -11.353 -0.410
236 H GLY 30 H GLY 30 9.010 -6.340 1.229
237 HA2 GLY 30 HA2 GLY 30 10.212 -4.962 -0.185
238 HA3 GLY 30 HA3 GLY 30 10.062 -6.173 -1.446
239 H LYS 31 H LYS 31 6.963 -5.885 -0.601
240 HA LYS 31 HA LYS 31 6.578 -3.732 -2.581
241 HB2 LYS 31 HB2 LYS 31 6.271 -5.900 -3.652
242 HB3 LYS 31 HB3 LYS 31 5.108 -6.368 -2.427
243 HG2 LYS 31 HG2 LYS 31 3.615 -4.569 -3.179
244 HG3 LYS 31 HG3 LYS 31 4.776 -4.156 -4.439
245 HD2 LYS 31 HD2 LYS 31 3.700 -6.943 -4.222
246 HD3 LYS 31 HD3 LYS 31 2.752 -5.682 -5.008
247 HE2 LYS 31 HE2 LYS 31 3.993 -6.875 -6.680
248 HE3 LYS 31 HE3 LYS 31 4.664 -5.256 -6.525
249 HZ1 LYS 31 HZ1 LYS 31 6.510 -6.106 -5.324
250 HZ2 LYS 31 HZ2 LYS 31 6.333 -7.065 -6.701
251 HZ3 LYS 31 HZ3 LYS 31 5.820 -7.644 -5.197
252 H CYS 32 H CYS 32 4.877 -2.381 -2.322
253 HA CYS 32 HA CYS 32 3.538 -2.309 0.224
254 HB2 CYS 32 HB2 CYS 32 3.459 -0.620 -2.269
255 HB3 CYS 32 HB3 CYS 32 2.366 -0.304 -0.931
256 H ASP 33 H ASP 33 2.124 -3.947 0.482
257 HA ASP 33 HA ASP 33 0.304 -4.593 -1.723
258 HB2 ASP 33 HB2 ASP 33 1.486 -6.483 -0.840
259 HB3 ASP 33 HB3 ASP 33 1.001 -6.091 0.802
260 H CYS 34 H CYS 34 -1.635 -3.805 -1.707
261 HA CYS 34 HA CYS 34 -2.645 -2.535 0.701
262 HB2 CYS 34 HB2 CYS 34 -3.430 -2.357 -2.187
263 HB3 CYS 34 HB3 CYS 34 -4.414 -1.665 -0.908
264 H THR 35 H THR 35 -4.672 -2.855 1.520
265 HA THR 35 HA THR 35 -5.920 -5.420 0.782
266 HB THR 35 HB THR 35 -5.947 -3.912 3.390
267 HG1 THR 35 HG1 THR 35 -4.512 -6.101 2.404
268 HG21 THR 35 HG21 THR 35 -8.086 -5.083 2.912
269 HG22 THR 35 HG22 THR 35 -7.230 -5.720 4.320
270 HG23 THR 35 HG23 THR 35 -7.178 -6.594 2.789
271 HA PRO 36 HA PRO 36 -9.257 -2.754 -0.528
272 HB2 PRO 36 HB2 PRO 36 -10.949 -4.698 -1.314
273 HB3 PRO 36 HB3 PRO 36 -9.528 -4.249 -2.261
274 HG2 PRO 36 HG2 PRO 36 -9.913 -6.549 -0.387
275 HG3 PRO 36 HG3 PRO 36 -9.118 -6.517 -1.973
276 HD2 PRO 36 HD2 PRO 36 -7.755 -6.449 0.387
277 HD3 PRO 36 HD3 PRO 36 -7.152 -5.708 -1.109
278 H LYS 37 H LYS 37 -11.851 -3.264 -0.294
279 HA LYS 37 HA LYS 37 -12.290 -3.133 2.570
280 HB2 LYS 37 HB2 LYS 37 -14.276 -2.773 0.318
281 HB3 LYS 37 HB3 LYS 37 -14.517 -2.343 2.005
282 HG2 LYS 37 HG2 LYS 37 -12.745 -0.662 1.824
283 HG3 LYS 37 HG3 LYS 37 -12.531 -1.087 0.125
284 HD2 LYS 37 HD2 LYS 37 -14.909 -0.478 -0.268
285 HD3 LYS 37 HD3 LYS 37 -15.002 0.075 1.405
286 HE2 LYS 37 HE2 LYS 37 -14.620 1.980 0.013
287 HE3 LYS 37 HE3 LYS 37 -13.143 1.657 0.916
288 HZ1 LYS 37 HZ1 LYS 37 -12.270 0.521 -1.064
289 HZ2 LYS 37 HZ2 LYS 37 -12.616 2.145 -1.362
290 HZ3 LYS 37 HZ3 LYS 37 -13.665 0.945 -1.920
Start of MODEL 15
1 H1 VAL 1 H1 VAL 1 -4.297 -7.198 -2.124
2 H2 VAL 1 H2 VAL 1 -3.600 -5.796 -1.492
3 H3 VAL 1 H3 VAL 1 -2.614 -7.100 -1.935
4 HA VAL 1 HA VAL 1 -3.399 -6.817 -4.254
5 HB VAL 1 HB VAL 1 -4.464 -4.213 -3.157
6 HG11 VAL 1 HG11 VAL 1 -3.461 -3.995 -5.389
7 HG12 VAL 1 HG12 VAL 1 -5.211 -3.786 -5.437
8 HG13 VAL 1 HG13 VAL 1 -4.490 -5.303 -5.971
9 HG21 VAL 1 HG21 VAL 1 -6.647 -5.087 -3.885
10 HG22 VAL 1 HG22 VAL 1 -5.926 -6.062 -2.611
11 HG23 VAL 1 HG23 VAL 1 -5.884 -6.621 -4.281
12 H GLY 2 H GLY 2 -1.246 -6.820 -4.693
13 HA2 GLY 2 HA2 GLY 2 0.574 -4.936 -3.536
14 HA3 GLY 2 HA3 GLY 2 0.947 -6.116 -4.784
15 H ILE 3 H ILE 3 1.091 -2.981 -4.207
16 HA ILE 3 HA ILE 3 0.252 -2.150 -6.898
17 HB ILE 3 HB ILE 3 0.575 0.181 -6.011
18 HG12 ILE 3 HG12 ILE 3 0.719 -1.238 -3.343
19 HG13 ILE 3 HG13 ILE 3 2.087 -0.475 -4.145
20 HG21 ILE 3 HG21 ILE 3 -1.532 0.196 -4.744
21 HG22 ILE 3 HG22 ILE 3 -1.446 -1.562 -4.608
22 HG23 ILE 3 HG23 ILE 3 -1.632 -0.810 -6.192
23 HD11 ILE 3 HD11 ILE 3 1.078 1.681 -3.923
24 HD12 ILE 3 HD12 ILE 3 1.084 0.888 -2.348
25 HD13 ILE 3 HD13 ILE 3 -0.406 0.971 -3.290
26 H ASN 4 H ASN 4 1.729 -0.114 -7.515
27 HA ASN 4 HA ASN 4 4.295 -1.313 -8.094
28 HB2 ASN 4 HB2 ASN 4 4.589 0.647 -9.603
29 HB3 ASN 4 HB3 ASN 4 3.125 -0.265 -9.933
30 HD21 ASN 4 HD21 ASN 4 3.836 2.513 -10.543
31 HD22 ASN 4 HD22 ASN 4 2.586 3.483 -9.839
32 H VAL 5 H VAL 5 4.137 -0.716 -5.408
33 HA VAL 5 HA VAL 5 6.077 1.485 -5.178
34 HB VAL 5 HB VAL 5 3.849 0.881 -3.221
35 HG11 VAL 5 HG11 VAL 5 4.609 2.838 -1.988
36 HG12 VAL 5 HG12 VAL 5 5.943 3.052 -3.124
37 HG13 VAL 5 HG13 VAL 5 5.893 1.629 -2.082
38 HG21 VAL 5 HG21 VAL 5 3.241 3.265 -3.822
39 HG22 VAL 5 HG22 VAL 5 2.871 2.016 -5.007
40 HG23 VAL 5 HG23 VAL 5 4.277 3.060 -5.227
41 H LYS 6 H LYS 6 7.564 1.280 -3.467
42 HA LYS 6 HA LYS 6 8.236 -1.522 -2.945
43 HB2 LYS 6 HB2 LYS 6 9.883 1.004 -2.752
44 HB3 LYS 6 HB3 LYS 6 10.479 -0.594 -2.329
45 HG2 LYS 6 HG2 LYS 6 9.463 0.185 -5.051
46 HG3 LYS 6 HG3 LYS 6 11.163 0.152 -4.580
47 HD2 LYS 6 HD2 LYS 6 10.953 -2.248 -4.072
48 HD3 LYS 6 HD3 LYS 6 9.269 -2.198 -4.598
49 HE2 LYS 6 HE2 LYS 6 10.722 -3.070 -6.355
50 HE3 LYS 6 HE3 LYS 6 9.977 -1.547 -6.836
51 HZ1 LYS 6 HZ1 LYS 6 12.010 -0.399 -6.355
52 HZ2 LYS 6 HZ2 LYS 6 12.347 -1.682 -7.400
53 HZ3 LYS 6 HZ3 LYS 6 12.729 -1.809 -5.759
54 H CYS 7 H CYS 7 8.814 -2.257 -0.907
55 HA CYS 7 HA CYS 7 7.160 -1.169 1.176
56 HB2 CYS 7 HB2 CYS 7 7.247 -3.563 0.836
57 HB3 CYS 7 HB3 CYS 7 8.985 -3.578 1.080
58 H LYS 8 H LYS 8 8.896 0.808 0.813
59 HA LYS 8 HA LYS 8 10.794 0.618 3.009
60 HB2 LYS 8 HB2 LYS 8 10.189 2.816 1.024
61 HB3 LYS 8 HB3 LYS 8 11.240 3.050 2.409
62 HG2 LYS 8 HG2 LYS 8 11.702 0.988 0.264
63 HG3 LYS 8 HG3 LYS 8 12.452 2.585 0.305
64 HD2 LYS 8 HD2 LYS 8 13.368 1.997 2.564
65 HD3 LYS 8 HD3 LYS 8 12.773 0.357 2.311
66 HE2 LYS 8 HE2 LYS 8 14.708 1.771 0.484
67 HE3 LYS 8 HE3 LYS 8 15.182 0.664 1.769
68 HZ1 LYS 8 HZ1 LYS 8 13.476 -0.027 -0.562
69 HZ2 LYS 8 HZ2 LYS 8 13.945 -1.089 0.666
70 HZ3 LYS 8 HZ3 LYS 8 15.105 -0.438 -0.375
71 H HIS 9 H HIS 9 9.775 0.629 4.899
72 HA HIS 9 HA HIS 9 8.658 1.398 6.720
73 HB2 HIS 9 HB2 HIS 9 7.890 3.965 5.379
74 HB3 HIS 9 HB3 HIS 9 8.341 3.674 7.052
75 HD1 HIS 9 HD1 HIS 9 9.732 4.410 3.707
76 HD2 HIS 9 HD2 HIS 9 11.141 3.736 7.550
77 HE1 HIS 9 HE1 HIS 9 12.156 4.995 3.623
78 HE2 HIS 9 HE2 HIS 9 13.032 4.457 5.930
79 H SER 10 H SER 10 6.787 0.523 7.232
80 HA SER 10 HA SER 10 4.804 -0.098 5.357
81 HB2 SER 10 HB2 SER 10 3.453 -0.665 7.475
82 HB3 SER 10 HB3 SER 10 4.973 -1.523 7.219
83 HG SER 10 HG SER 10 5.662 -0.714 9.012
84 H GLY 11 H GLY 11 5.173 2.665 7.443
85 HA2 GLY 11 HA2 GLY 11 2.480 3.576 7.313
86 HA3 GLY 11 HA3 GLY 11 3.879 4.536 7.770
87 H GLN 12 H GLN 12 5.089 3.678 5.078
88 HA GLN 12 HA GLN 12 4.207 6.025 3.676
89 HB2 GLN 12 HB2 GLN 12 6.545 5.464 3.594
90 HB3 GLN 12 HB3 GLN 12 6.198 3.864 2.949
91 HG2 GLN 12 HG2 GLN 12 5.351 4.877 0.900
92 HG3 GLN 12 HG3 GLN 12 5.679 6.478 1.559
93 HE21 GLN 12 HE21 GLN 12 8.167 5.780 2.791
94 HE22 GLN 12 HE22 GLN 12 9.316 5.570 1.516
95 H CYS 13 H CYS 13 3.643 2.590 3.465
96 HA CYS 13 HA CYS 13 2.752 2.514 0.785
97 HB2 CYS 13 HB2 CYS 13 2.189 0.642 3.090
98 HB3 CYS 13 HB3 CYS 13 1.775 0.306 1.414
99 H LEU 14 H LEU 14 1.255 3.661 3.628
100 HA LEU 14 HA LEU 14 -1.452 3.130 3.026
101 HB2 LEU 14 HB2 LEU 14 0.031 4.686 4.955
102 HB3 LEU 14 HB3 LEU 14 -1.398 5.541 4.430
103 HG LEU 14 HG LEU 14 -1.795 4.237 6.469
104 HD11 LEU 14 HD11 LEU 14 -3.219 3.354 3.983
105 HD12 LEU 14 HD12 LEU 14 -3.685 4.642 5.090
106 HD13 LEU 14 HD13 LEU 14 -3.772 2.958 5.608
107 HD21 LEU 14 HD21 LEU 14 -1.289 1.807 4.751
108 HD22 LEU 14 HD22 LEU 14 -1.761 1.830 6.452
109 HD23 LEU 14 HD23 LEU 14 -0.173 2.428 5.972
110 H LYS 15 H LYS 15 0.737 5.686 2.057
111 HA LYS 15 HA LYS 15 -1.231 7.513 1.181
112 HB2 LYS 15 HB2 LYS 15 1.711 7.267 0.658
113 HB3 LYS 15 HB3 LYS 15 0.749 8.475 -0.175
114 HG2 LYS 15 HG2 LYS 15 1.796 9.496 1.714
115 HG3 LYS 15 HG3 LYS 15 0.066 9.382 2.029
116 HD2 LYS 15 HD2 LYS 15 0.425 7.442 3.444
117 HD3 LYS 15 HD3 LYS 15 2.150 7.464 3.072
118 HE2 LYS 15 HE2 LYS 15 1.708 8.462 5.256
119 HE3 LYS 15 HE3 LYS 15 2.358 9.652 4.132
120 HZ1 LYS 15 HZ1 LYS 15 -0.516 9.334 4.794
121 HZ2 LYS 15 HZ2 LYS 15 0.151 10.517 3.788
122 HZ3 LYS 15 HZ3 LYS 15 0.504 10.516 5.440
123 HA PRO 16 HA PRO 16 -0.470 6.006 -3.282
124 HB2 PRO 16 HB2 PRO 16 0.821 3.650 -3.704
125 HB3 PRO 16 HB3 PRO 16 1.634 5.214 -3.669
126 HG2 PRO 16 HG2 PRO 16 1.488 3.108 -1.567
127 HG3 PRO 16 HG3 PRO 16 2.830 4.179 -1.997
128 HD2 PRO 16 HD2 PRO 16 1.189 4.570 0.159
129 HD3 PRO 16 HD3 PRO 16 2.068 5.867 -0.671
130 H CYS 17 H CYS 17 -1.201 3.765 -0.730
131 HA CYS 17 HA CYS 17 -2.768 2.008 -2.334
132 HB2 CYS 17 HB2 CYS 17 -2.345 2.380 0.608
133 HB3 CYS 17 HB3 CYS 17 -3.593 1.308 0.008
134 H LYS 18 H LYS 18 -3.480 4.802 -0.240
135 HA LYS 18 HA LYS 18 -6.298 4.573 -0.522
136 HB2 LYS 18 HB2 LYS 18 -6.440 6.752 0.442
137 HB3 LYS 18 HB3 LYS 18 -5.137 5.912 1.265
138 HG2 LYS 18 HG2 LYS 18 -3.493 7.178 0.198
139 HG3 LYS 18 HG3 LYS 18 -4.607 7.732 -1.053
140 HD2 LYS 18 HD2 LYS 18 -5.849 8.995 0.686
141 HD3 LYS 18 HD3 LYS 18 -4.624 8.513 1.861
142 HE2 LYS 18 HE2 LYS 18 -2.916 9.682 0.647
143 HE3 LYS 18 HE3 LYS 18 -4.028 10.026 -0.676
144 HZ1 LYS 18 HZ1 LYS 18 -4.266 11.063 2.093
145 HZ2 LYS 18 HZ2 LYS 18 -5.328 11.398 0.823
146 HZ3 LYS 18 HZ3 LYS 18 -3.731 11.943 0.753
147 H LYS 19 H LYS 19 -3.752 5.867 -2.464
148 HA LYS 19 HA LYS 19 -5.424 7.452 -4.182
149 HB2 LYS 19 HB2 LYS 19 -2.629 6.377 -4.647
150 HB3 LYS 19 HB3 LYS 19 -3.431 7.601 -5.621
151 HG2 LYS 19 HG2 LYS 19 -3.463 9.117 -3.714
152 HG3 LYS 19 HG3 LYS 19 -2.694 7.882 -2.714
153 HD2 LYS 19 HD2 LYS 19 -0.760 7.901 -4.269
154 HD3 LYS 19 HD3 LYS 19 -1.521 9.227 -5.147
155 HE2 LYS 19 HE2 LYS 19 -1.478 10.581 -3.091
156 HE3 LYS 19 HE3 LYS 19 -0.670 9.258 -2.253
157 HZ1 LYS 19 HZ1 LYS 19 1.171 9.459 -3.825
158 HZ2 LYS 19 HZ2 LYS 19 0.924 10.897 -2.976
159 HZ3 LYS 19 HZ3 LYS 19 0.402 10.764 -4.578
160 H ALA 20 H ALA 20 -4.475 4.193 -3.870
161 HA ALA 20 HA ALA 20 -5.203 3.384 -6.545
162 HB1 ALA 20 HB1 ALA 20 -4.447 1.849 -4.059
163 HB2 ALA 20 HB2 ALA 20 -3.454 2.149 -5.490
164 HB3 ALA 20 HB3 ALA 20 -4.855 1.082 -5.597
165 H GLY 21 H GLY 21 -6.903 4.289 -3.860
166 HA2 GLY 21 HA2 GLY 21 -9.215 4.290 -3.590
167 HA3 GLY 21 HA3 GLY 21 -9.343 3.103 -4.880
168 H MET 22 H MET 22 -7.034 2.299 -2.535
169 HA MET 22 HA MET 22 -8.805 0.179 -1.593
170 HB2 MET 22 HB2 MET 22 -5.805 0.475 -1.496
171 HB3 MET 22 HB3 MET 22 -6.675 -0.846 -0.740
172 HG2 MET 22 HG2 MET 22 -6.598 -0.188 -3.670
173 HG3 MET 22 HG3 MET 22 -5.840 -1.563 -2.863
174 HE1 MET 22 HE1 MET 22 -7.799 -1.752 -5.436
175 HE2 MET 22 HE2 MET 22 -8.738 -3.178 -4.997
176 HE3 MET 22 HE3 MET 22 -7.000 -3.143 -4.706
177 H ARG 23 H ARG 23 -8.072 -0.568 0.780
178 HA ARG 23 HA ARG 23 -9.039 1.659 2.353
179 HB2 ARG 23 HB2 ARG 23 -9.906 -0.691 2.560
180 HB3 ARG 23 HB3 ARG 23 -8.379 -1.126 3.306
181 HG2 ARG 23 HG2 ARG 23 -8.875 -0.092 5.256
182 HG3 ARG 23 HG3 ARG 23 -9.843 1.159 4.476
183 HD2 ARG 23 HD2 ARG 23 -11.165 -0.424 5.873
184 HD3 ARG 23 HD3 ARG 23 -11.681 -0.349 4.190
185 HE ARG 23 HE ARG 23 -9.851 -2.477 5.030
186 HH11 ARG 23 HH11 ARG 23 -13.049 -1.493 4.003
187 HH12 ARG 23 HH12 ARG 23 -13.556 -3.102 3.605
188 HH21 ARG 23 HH21 ARG 23 -10.517 -4.591 4.514
189 HH22 ARG 23 HH22 ARG 23 -12.114 -4.867 3.892
190 H PHE 24 H PHE 24 -6.434 -0.667 3.159
191 HA PHE 24 HA PHE 24 -4.842 1.633 4.063
192 HB2 PHE 24 HB2 PHE 24 -4.060 -0.939 5.223
193 HB3 PHE 24 HB3 PHE 24 -4.292 0.616 6.007
194 HD1 PHE 24 HD1 PHE 24 -5.902 -2.469 4.924
195 HD2 PHE 24 HD2 PHE 24 -6.337 1.120 7.149
196 HE1 PHE 24 HE1 PHE 24 -7.941 -3.361 5.930
197 HE2 PHE 24 HE2 PHE 24 -8.390 0.231 8.184
198 HZ PHE 24 HZ PHE 24 -9.194 -2.017 7.581
199 H GLY 25 H GLY 25 -2.458 0.634 4.372
200 HA2 GLY 25 HA2 GLY 25 -1.761 -0.844 1.940
201 HA3 GLY 25 HA3 GLY 25 -0.971 0.689 2.287
202 H LYS 26 H LYS 26 -1.006 -2.651 2.850
203 HA LYS 26 HA LYS 26 0.643 -2.540 5.234
204 HB2 LYS 26 HB2 LYS 26 -1.108 -4.326 4.773
205 HB3 LYS 26 HB3 LYS 26 -0.024 -4.943 3.536
206 HG2 LYS 26 HG2 LYS 26 1.674 -5.398 5.201
207 HG3 LYS 26 HG3 LYS 26 0.641 -4.719 6.460
208 HD2 LYS 26 HD2 LYS 26 -1.038 -6.450 5.989
209 HD3 LYS 26 HD3 LYS 26 0.033 -7.143 4.771
210 HE2 LYS 26 HE2 LYS 26 1.701 -7.606 6.477
211 HE3 LYS 26 HE3 LYS 26 0.679 -6.856 7.702
212 HZ1 LYS 26 HZ1 LYS 26 0.513 -9.279 7.715
213 HZ2 LYS 26 HZ2 LYS 26 -0.048 -9.261 6.121
214 HZ3 LYS 26 HZ3 LYS 26 -0.972 -8.559 7.348
215 H CYS 27 H CYS 27 2.770 -3.522 5.267
216 HA CYS 27 HA CYS 27 4.214 -2.917 2.795
217 HB2 CYS 27 HB2 CYS 27 4.762 -2.132 5.317
218 HB3 CYS 27 HB3 CYS 27 5.699 -3.620 5.267
219 H ILE 28 H ILE 28 4.557 -4.575 1.493
220 HA ILE 28 HA ILE 28 4.500 -7.267 2.646
221 HB ILE 28 HB ILE 28 2.849 -6.254 0.779
222 HG12 ILE 28 HG12 ILE 28 2.314 -8.570 0.139
223 HG13 ILE 28 HG13 ILE 28 3.804 -9.118 0.898
224 HG21 ILE 28 HG21 ILE 28 5.025 -7.584 -0.815
225 HG22 ILE 28 HG22 ILE 28 4.565 -5.883 -0.875
226 HG23 ILE 28 HG23 ILE 28 3.437 -7.122 -1.427
227 HD11 ILE 28 HD11 ILE 28 1.577 -7.701 2.346
228 HD12 ILE 28 HD12 ILE 28 3.001 -8.458 3.059
229 HD13 ILE 28 HD13 ILE 28 1.776 -9.452 2.278
230 H ASN 29 H ASN 29 5.693 -8.846 0.973
231 HA ASN 29 HA ASN 29 8.398 -8.524 1.386
232 HB2 ASN 29 HB2 ASN 29 7.263 -10.092 -0.930
233 HB3 ASN 29 HB3 ASN 29 8.736 -10.417 -0.024
234 HD21 ASN 29 HD21 ASN 29 5.316 -10.750 -0.143
235 HD22 ASN 29 HD22 ASN 29 5.152 -11.775 1.243
236 H GLY 30 H GLY 30 8.965 -6.402 0.760
237 HA2 GLY 30 HA2 GLY 30 10.336 -5.177 -0.670
238 HA3 GLY 30 HA3 GLY 30 9.937 -6.287 -1.970
239 H LYS 31 H LYS 31 6.972 -5.701 -0.999
240 HA LYS 31 HA LYS 31 6.733 -3.307 -2.716
241 HB2 LYS 31 HB2 LYS 31 4.967 -5.763 -2.789
242 HB3 LYS 31 HB3 LYS 31 4.734 -4.310 -3.745
243 HG2 LYS 31 HG2 LYS 31 6.765 -4.723 -4.962
244 HG3 LYS 31 HG3 LYS 31 7.145 -6.102 -3.925
245 HD2 LYS 31 HD2 LYS 31 5.127 -7.245 -4.710
246 HD3 LYS 31 HD3 LYS 31 4.746 -5.867 -5.743
247 HE2 LYS 31 HE2 LYS 31 7.233 -7.562 -5.947
248 HE3 LYS 31 HE3 LYS 31 5.809 -7.724 -6.972
249 HZ1 LYS 31 HZ1 LYS 31 7.554 -5.330 -6.782
250 HZ2 LYS 31 HZ2 LYS 31 6.165 -5.452 -7.740
251 HZ3 LYS 31 HZ3 LYS 31 7.505 -6.429 -8.063
252 H CYS 32 H CYS 32 4.316 -2.498 -2.573
253 HA CYS 32 HA CYS 32 3.467 -2.654 0.236
254 HB2 CYS 32 HB2 CYS 32 2.823 -0.591 -1.888
255 HB3 CYS 32 HB3 CYS 32 2.103 -0.620 -0.282
256 H ASP 33 H ASP 33 1.799 -3.912 0.678
257 HA ASP 33 HA ASP 33 -0.003 -4.666 -1.512
258 HB2 ASP 33 HB2 ASP 33 1.088 -6.532 -0.448
259 HB3 ASP 33 HB3 ASP 33 0.529 -6.020 1.138
260 H CYS 34 H CYS 34 -1.673 -3.457 -1.609
261 HA CYS 34 HA CYS 34 -2.725 -2.055 0.684
262 HB2 CYS 34 HB2 CYS 34 -3.906 -2.193 -2.086
263 HB3 CYS 34 HB3 CYS 34 -4.183 -0.959 -0.865
264 H THR 35 H THR 35 -4.650 -2.423 1.713
265 HA THR 35 HA THR 35 -5.841 -5.045 1.299
266 HB THR 35 HB THR 35 -6.664 -2.973 3.324
267 HG1 THR 35 HG1 THR 35 -4.472 -4.785 3.324
268 HG21 THR 35 HG21 THR 35 -8.176 -4.850 3.144
269 HG22 THR 35 HG22 THR 35 -7.259 -4.991 4.645
270 HG23 THR 35 HG23 THR 35 -6.833 -5.988 3.254
271 HA PRO 36 HA PRO 36 -8.856 -3.044 -1.267
272 HB2 PRO 36 HB2 PRO 36 -10.298 -5.305 -1.849
273 HB3 PRO 36 HB3 PRO 36 -8.842 -4.789 -2.692
274 HG2 PRO 36 HG2 PRO 36 -9.237 -6.990 -0.809
275 HG3 PRO 36 HG3 PRO 36 -7.934 -6.731 -1.977
276 HD2 PRO 36 HD2 PRO 36 -7.862 -6.328 0.825
277 HD3 PRO 36 HD3 PRO 36 -6.593 -5.950 -0.349
278 H LYS 37 H LYS 37 -10.410 -1.869 -0.494
279 HA LYS 37 HA LYS 37 -11.876 -2.464 1.825
280 HB2 LYS 37 HB2 LYS 37 -13.313 -0.485 1.082
281 HB3 LYS 37 HB3 LYS 37 -11.616 -0.180 1.396
282 HG2 LYS 37 HG2 LYS 37 -12.005 1.026 -0.531
283 HG3 LYS 37 HG3 LYS 37 -11.331 -0.473 -1.160
284 HD2 LYS 37 HD2 LYS 37 -13.605 -1.287 -1.605
285 HD3 LYS 37 HD3 LYS 37 -14.257 0.240 -1.010
286 HE2 LYS 37 HE2 LYS 37 -12.412 -0.090 -3.375
287 HE3 LYS 37 HE3 LYS 37 -14.151 0.180 -3.459
288 HZ1 LYS 37 HZ1 LYS 37 -13.793 2.309 -2.304
289 HZ2 LYS 37 HZ2 LYS 37 -13.007 2.236 -3.799
290 HZ3 LYS 37 HZ3 LYS 37 -12.119 2.052 -2.373
Start of MODEL 16
1 H1 VAL 1 H1 VAL 1 -3.293 -8.534 -4.228
2 H2 VAL 1 H2 VAL 1 -4.468 -7.942 -3.172
3 H3 VAL 1 H3 VAL 1 -2.839 -7.545 -2.928
4 HA VAL 1 HA VAL 1 -4.479 -6.746 -5.255
5 HB VAL 1 HB VAL 1 -3.592 -5.190 -2.828
6 HG11 VAL 1 HG11 VAL 1 -3.183 -3.841 -4.832
7 HG12 VAL 1 HG12 VAL 1 -4.541 -3.206 -3.904
8 HG13 VAL 1 HG13 VAL 1 -4.835 -4.136 -5.371
9 HG21 VAL 1 HG21 VAL 1 -6.031 -4.720 -2.684
10 HG22 VAL 1 HG22 VAL 1 -5.633 -6.426 -2.515
11 HG23 VAL 1 HG23 VAL 1 -6.282 -5.820 -4.037
12 H GLY 2 H GLY 2 -1.556 -5.696 -3.470
13 HA2 GLY 2 HA2 GLY 2 0.580 -5.290 -4.208
14 HA3 GLY 2 HA3 GLY 2 0.204 -6.256 -5.625
15 H ILE 3 H ILE 3 1.115 -3.260 -4.615
16 HA ILE 3 HA ILE 3 0.168 -2.038 -7.126
17 HB ILE 3 HB ILE 3 0.493 0.168 -6.017
18 HG12 ILE 3 HG12 ILE 3 0.733 -1.470 -3.484
19 HG13 ILE 3 HG13 ILE 3 2.065 -0.626 -4.266
20 HG21 ILE 3 HG21 ILE 3 -1.548 0.053 -4.619
21 HG22 ILE 3 HG22 ILE 3 -1.492 -1.705 -4.744
22 HG23 ILE 3 HG23 ILE 3 -1.729 -0.725 -6.191
23 HD11 ILE 3 HD11 ILE 3 1.058 1.495 -3.819
24 HD12 ILE 3 HD12 ILE 3 1.117 0.567 -2.322
25 HD13 ILE 3 HD13 ILE 3 -0.403 0.723 -3.204
26 H ASN 4 H ASN 4 1.721 -0.321 -7.904
27 HA ASN 4 HA ASN 4 4.383 -1.440 -7.981
28 HB2 ASN 4 HB2 ASN 4 3.205 -0.429 -9.986
29 HB3 ASN 4 HB3 ASN 4 3.452 1.145 -9.240
30 HD21 ASN 4 HD21 ASN 4 5.658 1.821 -8.840
31 HD22 ASN 4 HD22 ASN 4 6.911 1.268 -9.908
32 H VAL 5 H VAL 5 4.486 -1.023 -5.563
33 HA VAL 5 HA VAL 5 6.046 1.396 -5.164
34 HB VAL 5 HB VAL 5 3.776 0.718 -3.277
35 HG11 VAL 5 HG11 VAL 5 4.477 3.147 -2.551
36 HG12 VAL 5 HG12 VAL 5 6.033 2.642 -3.204
37 HG13 VAL 5 HG13 VAL 5 5.281 1.724 -1.898
38 HG21 VAL 5 HG21 VAL 5 2.757 2.833 -3.980
39 HG22 VAL 5 HG22 VAL 5 2.881 1.693 -5.321
40 HG23 VAL 5 HG23 VAL 5 4.019 3.034 -5.195
41 H LYS 6 H LYS 6 7.759 1.012 -3.859
42 HA LYS 6 HA LYS 6 8.064 -1.667 -2.786
43 HB2 LYS 6 HB2 LYS 6 9.979 0.673 -2.843
44 HB3 LYS 6 HB3 LYS 6 10.379 -0.947 -2.288
45 HG2 LYS 6 HG2 LYS 6 9.910 -1.822 -4.529
46 HG3 LYS 6 HG3 LYS 6 9.547 -0.186 -5.080
47 HD2 LYS 6 HD2 LYS 6 11.828 0.506 -4.538
48 HD3 LYS 6 HD3 LYS 6 12.194 -1.126 -3.977
49 HE2 LYS 6 HE2 LYS 6 13.038 -0.819 -6.224
50 HE3 LYS 6 HE3 LYS 6 11.716 -1.986 -6.231
51 HZ1 LYS 6 HZ1 LYS 6 11.550 -0.415 -8.064
52 HZ2 LYS 6 HZ2 LYS 6 11.478 0.877 -6.976
53 HZ3 LYS 6 HZ3 LYS 6 10.233 -0.263 -7.016
54 H CYS 7 H CYS 7 8.156 -2.197 -0.651
55 HA CYS 7 HA CYS 7 6.803 -0.509 1.175
56 HB2 CYS 7 HB2 CYS 7 6.504 -2.792 1.592
57 HB3 CYS 7 HB3 CYS 7 8.226 -3.141 1.454
58 H LYS 8 H LYS 8 7.860 1.397 1.621
59 HA LYS 8 HA LYS 8 10.513 1.254 2.794
60 HB2 LYS 8 HB2 LYS 8 8.668 3.639 2.510
61 HB3 LYS 8 HB3 LYS 8 10.378 3.677 2.917
62 HG2 LYS 8 HG2 LYS 8 9.213 2.773 0.290
63 HG3 LYS 8 HG3 LYS 8 9.995 4.324 0.601
64 HD2 LYS 8 HD2 LYS 8 12.090 3.210 1.081
65 HD3 LYS 8 HD3 LYS 8 11.324 1.631 0.897
66 HE2 LYS 8 HE2 LYS 8 10.874 2.098 -1.443
67 HE3 LYS 8 HE3 LYS 8 11.562 3.711 -1.273
68 HZ1 LYS 8 HZ1 LYS 8 13.692 2.669 -0.715
69 HZ2 LYS 8 HZ2 LYS 8 13.161 2.238 -2.262
70 HZ3 LYS 8 HZ3 LYS 8 13.017 1.141 -0.980
71 H HIS 9 H HIS 9 7.203 2.189 3.650
72 HA HIS 9 HA HIS 9 7.583 1.264 6.384
73 HB2 HIS 9 HB2 HIS 9 6.560 4.074 5.886
74 HB3 HIS 9 HB3 HIS 9 6.914 3.324 7.437
75 HD1 HIS 9 HD1 HIS 9 8.539 4.953 4.506
76 HD2 HIS 9 HD2 HIS 9 9.629 3.340 8.176
77 HE1 HIS 9 HE1 HIS 9 10.963 5.492 4.774
78 HE2 HIS 9 HE2 HIS 9 11.591 4.603 7.050
79 H SER 10 H SER 10 5.715 0.431 7.176
80 HA SER 10 HA SER 10 3.613 -0.133 5.410
81 HB2 SER 10 HB2 SER 10 2.479 -0.997 7.517
82 HB3 SER 10 HB3 SER 10 4.067 -1.676 7.161
83 HG SER 10 HG SER 10 4.282 -1.123 9.226
84 H GLY 11 H GLY 11 3.994 2.348 7.869
85 HA2 GLY 11 HA2 GLY 11 1.293 3.275 7.739
86 HA3 GLY 11 HA3 GLY 11 2.657 4.141 8.432
87 H GLN 12 H GLN 12 4.215 3.958 5.953
88 HA GLN 12 HA GLN 12 3.215 6.365 4.743
89 HB2 GLN 12 HB2 GLN 12 5.654 5.866 5.098
90 HB3 GLN 12 HB3 GLN 12 5.534 4.647 3.837
91 HG2 GLN 12 HG2 GLN 12 4.827 6.426 2.263
92 HG3 GLN 12 HG3 GLN 12 5.110 7.608 3.540
93 HE21 GLN 12 HE21 GLN 12 6.561 5.440 1.270
94 HE22 GLN 12 HE22 GLN 12 8.180 6.030 1.435
95 H CYS 13 H CYS 13 2.903 3.027 4.203
96 HA CYS 13 HA CYS 13 2.589 3.016 1.387
97 HB2 CYS 13 HB2 CYS 13 2.440 1.117 3.571
98 HB3 CYS 13 HB3 CYS 13 1.174 0.834 2.382
99 H LEU 14 H LEU 14 0.581 4.105 3.878
100 HA LEU 14 HA LEU 14 -1.952 3.556 2.738
101 HB2 LEU 14 HB2 LEU 14 -0.913 5.430 4.805
102 HB3 LEU 14 HB3 LEU 14 -2.515 5.707 4.156
103 HG LEU 14 HG LEU 14 -3.182 3.434 4.859
104 HD11 LEU 14 HD11 LEU 14 -1.780 2.020 6.104
105 HD12 LEU 14 HD12 LEU 14 -0.567 3.274 6.327
106 HD13 LEU 14 HD13 LEU 14 -0.805 2.549 4.738
107 HD21 LEU 14 HD21 LEU 14 -3.585 5.326 6.340
108 HD22 LEU 14 HD22 LEU 14 -1.987 5.116 7.058
109 HD23 LEU 14 HD23 LEU 14 -3.218 3.869 7.263
110 H LYS 15 H LYS 15 0.365 6.122 2.354
111 HA LYS 15 HA LYS 15 -1.203 8.009 1.056
112 HB2 LYS 15 HB2 LYS 15 1.738 7.450 0.727
113 HB3 LYS 15 HB3 LYS 15 0.925 8.873 0.095
114 HG2 LYS 15 HG2 LYS 15 0.256 9.454 2.410
115 HG3 LYS 15 HG3 LYS 15 1.222 8.093 2.985
116 HD2 LYS 15 HD2 LYS 15 3.222 9.088 2.002
117 HD3 LYS 15 HD3 LYS 15 2.261 10.440 1.399
118 HE2 LYS 15 HE2 LYS 15 1.644 10.974 3.743
119 HE3 LYS 15 HE3 LYS 15 2.733 9.698 4.282
120 HZ1 LYS 15 HZ1 LYS 15 3.822 11.822 4.405
121 HZ2 LYS 15 HZ2 LYS 15 3.495 12.139 2.780
122 HZ3 LYS 15 HZ3 LYS 15 4.560 10.895 3.196
123 HA PRO 16 HA PRO 16 -0.244 6.135 -3.214
124 HB2 PRO 16 HB2 PRO 16 0.888 3.679 -3.411
125 HB3 PRO 16 HB3 PRO 16 1.821 5.177 -3.390
126 HG2 PRO 16 HG2 PRO 16 1.355 3.204 -1.209
127 HG3 PRO 16 HG3 PRO 16 2.807 4.145 -1.584
128 HD2 PRO 16 HD2 PRO 16 1.031 4.775 0.417
129 HD3 PRO 16 HD3 PRO 16 2.095 5.945 -0.382
130 H CYS 17 H CYS 17 -1.197 3.977 -0.615
131 HA CYS 17 HA CYS 17 -2.771 2.276 -2.266
132 HB2 CYS 17 HB2 CYS 17 -2.414 2.604 0.687
133 HB3 CYS 17 HB3 CYS 17 -3.654 1.553 0.036
134 H LYS 18 H LYS 18 -3.439 5.166 -0.340
135 HA LYS 18 HA LYS 18 -6.262 5.001 -0.566
136 HB2 LYS 18 HB2 LYS 18 -6.294 7.316 0.103
137 HB3 LYS 18 HB3 LYS 18 -5.063 6.491 1.044
138 HG2 LYS 18 HG2 LYS 18 -3.322 7.420 -0.300
139 HG3 LYS 18 HG3 LYS 18 -4.493 8.104 -1.427
140 HD2 LYS 18 HD2 LYS 18 -3.680 9.853 0.012
141 HD3 LYS 18 HD3 LYS 18 -5.360 9.520 0.427
142 HE2 LYS 18 HE2 LYS 18 -4.686 8.248 2.354
143 HE3 LYS 18 HE3 LYS 18 -2.990 8.375 1.894
144 HZ1 LYS 18 HZ1 LYS 18 -3.151 10.783 2.197
145 HZ2 LYS 18 HZ2 LYS 18 -3.506 9.949 3.622
146 HZ3 LYS 18 HZ3 LYS 18 -4.756 10.620 2.705
147 H LYS 19 H LYS 19 -3.715 5.937 -2.687
148 HA LYS 19 HA LYS 19 -5.458 7.278 -4.581
149 HB2 LYS 19 HB2 LYS 19 -2.548 6.477 -4.826
150 HB3 LYS 19 HB3 LYS 19 -3.422 7.515 -5.941
151 HG2 LYS 19 HG2 LYS 19 -2.794 8.122 -3.060
152 HG3 LYS 19 HG3 LYS 19 -2.014 8.826 -4.475
153 HD2 LYS 19 HD2 LYS 19 -4.919 9.129 -3.710
154 HD3 LYS 19 HD3 LYS 19 -3.664 10.357 -3.534
155 HE2 LYS 19 HE2 LYS 19 -3.340 10.345 -5.971
156 HE3 LYS 19 HE3 LYS 19 -4.630 9.156 -6.126
157 HZ1 LYS 19 HZ1 LYS 19 -6.155 10.776 -5.144
158 HZ2 LYS 19 HZ2 LYS 19 -5.465 11.346 -6.575
159 HZ3 LYS 19 HZ3 LYS 19 -4.909 11.918 -5.085
160 H ALA 20 H ALA 20 -4.577 4.182 -3.760
161 HA ALA 20 HA ALA 20 -4.969 3.052 -6.421
162 HB1 ALA 20 HB1 ALA 20 -4.295 1.786 -3.768
163 HB2 ALA 20 HB2 ALA 20 -3.192 2.086 -5.114
164 HB3 ALA 20 HB3 ALA 20 -4.483 0.895 -5.280
165 H GLY 21 H GLY 21 -6.862 4.174 -4.013
166 HA2 GLY 21 HA2 GLY 21 -9.139 4.024 -3.701
167 HA3 GLY 21 HA3 GLY 21 -9.191 2.823 -4.982
168 H MET 22 H MET 22 -7.034 2.371 -2.307
169 HA MET 22 HA MET 22 -8.747 0.148 -1.428
170 HB2 MET 22 HB2 MET 22 -5.746 0.438 -1.318
171 HB3 MET 22 HB3 MET 22 -6.639 -0.888 -0.589
172 HG2 MET 22 HG2 MET 22 -6.531 -0.207 -3.516
173 HG3 MET 22 HG3 MET 22 -5.721 -1.551 -2.716
174 HE1 MET 22 HE1 MET 22 -6.754 -3.220 -4.502
175 HE2 MET 22 HE2 MET 22 -7.578 -1.876 -5.293
176 HE3 MET 22 HE3 MET 22 -8.479 -3.327 -4.856
177 H ARG 23 H ARG 23 -7.891 -0.527 0.959
178 HA ARG 23 HA ARG 23 -8.899 1.715 2.480
179 HB2 ARG 23 HB2 ARG 23 -9.675 -0.675 2.749
180 HB3 ARG 23 HB3 ARG 23 -8.135 -1.006 3.528
181 HG2 ARG 23 HG2 ARG 23 -8.702 0.076 5.426
182 HG3 ARG 23 HG3 ARG 23 -9.692 1.265 4.584
183 HD2 ARG 23 HD2 ARG 23 -11.043 -0.226 5.990
184 HD3 ARG 23 HD3 ARG 23 -11.457 -0.371 4.284
185 HE ARG 23 HE ARG 23 -9.534 -2.317 4.997
186 HH11 ARG 23 HH11 ARG 23 -12.923 -1.538 5.317
187 HH12 ARG 23 HH12 ARG 23 -13.412 -3.180 5.587
188 HH21 ARG 23 HH21 ARG 23 -10.176 -4.496 5.333
189 HH22 ARG 23 HH22 ARG 23 -11.849 -4.862 5.597
190 H PHE 24 H PHE 24 -6.230 -0.526 3.280
191 HA PHE 24 HA PHE 24 -4.599 1.829 3.971
192 HB2 PHE 24 HB2 PHE 24 -3.768 -0.581 5.373
193 HB3 PHE 24 HB3 PHE 24 -4.081 1.025 6.009
194 HD1 PHE 24 HD1 PHE 24 -5.577 -2.196 5.157
195 HD2 PHE 24 HD2 PHE 24 -6.103 1.512 7.151
196 HE1 PHE 24 HE1 PHE 24 -7.579 -3.082 6.240
197 HE2 PHE 24 HE2 PHE 24 -8.113 0.634 8.264
198 HZ PHE 24 HZ PHE 24 -8.858 -1.674 7.815
199 H GLY 25 H GLY 25 -2.199 0.845 4.299
200 HA2 GLY 25 HA2 GLY 25 -1.653 -0.819 1.934
201 HA3 GLY 25 HA3 GLY 25 -0.703 0.611 2.299
202 H LYS 26 H LYS 26 -0.987 -2.702 2.715
203 HA LYS 26 HA LYS 26 0.665 -2.790 5.118
204 HB2 LYS 26 HB2 LYS 26 -1.297 -4.358 4.733
205 HB3 LYS 26 HB3 LYS 26 -0.339 -5.101 3.463
206 HG2 LYS 26 HG2 LYS 26 1.379 -5.689 5.100
207 HG3 LYS 26 HG3 LYS 26 0.396 -4.969 6.375
208 HD2 LYS 26 HD2 LYS 26 -1.373 -6.578 5.953
209 HD3 LYS 26 HD3 LYS 26 -0.453 -7.266 4.613
210 HE2 LYS 26 HE2 LYS 26 -0.223 -8.653 6.587
211 HE3 LYS 26 HE3 LYS 26 1.321 -7.910 6.178
212 HZ1 LYS 26 HZ1 LYS 26 0.938 -6.260 7.904
213 HZ2 LYS 26 HZ2 LYS 26 0.908 -7.822 8.548
214 HZ3 LYS 26 HZ3 LYS 26 -0.539 -6.982 8.298
215 H CYS 27 H CYS 27 2.655 -4.020 5.107
216 HA CYS 27 HA CYS 27 4.133 -3.585 2.640
217 HB2 CYS 27 HB2 CYS 27 4.884 -3.987 5.490
218 HB3 CYS 27 HB3 CYS 27 6.040 -4.478 4.259
219 H ILE 28 H ILE 28 4.766 -5.111 1.314
220 HA ILE 28 HA ILE 28 4.360 -7.904 2.113
221 HB ILE 28 HB ILE 28 2.894 -6.569 0.227
222 HG12 ILE 28 HG12 ILE 28 2.105 -8.760 -0.489
223 HG13 ILE 28 HG13 ILE 28 3.525 -9.525 0.221
224 HG21 ILE 28 HG21 ILE 28 4.925 -8.158 -1.325
225 HG22 ILE 28 HG22 ILE 28 4.846 -6.395 -1.262
226 HG23 ILE 28 HG23 ILE 28 3.516 -7.312 -1.971
227 HD11 ILE 28 HD11 ILE 28 1.522 -7.940 1.813
228 HD12 ILE 28 HD12 ILE 28 2.791 -9.004 2.419
229 HD13 ILE 28 HD13 ILE 28 1.412 -9.681 1.558
230 H ASN 29 H ASN 29 5.601 -9.311 0.295
231 HA ASN 29 HA ASN 29 8.275 -9.250 0.839
232 HB2 ASN 29 HB2 ASN 29 7.111 -10.172 -1.793
233 HB3 ASN 29 HB3 ASN 29 8.604 -10.727 -1.047
234 HD21 ASN 29 HD21 ASN 29 6.250 -12.209 -1.889
235 HD22 ASN 29 HD22 ASN 29 5.676 -13.038 -0.486
236 H GLY 30 H GLY 30 9.038 -7.099 0.738
237 HA2 GLY 30 HA2 GLY 30 10.429 -5.551 -0.258
238 HA3 GLY 30 HA3 GLY 30 10.284 -6.445 -1.761
239 H LYS 31 H LYS 31 7.174 -6.046 -1.118
240 HA LYS 31 HA LYS 31 7.122 -3.468 -2.558
241 HB2 LYS 31 HB2 LYS 31 5.333 -5.851 -3.066
242 HB3 LYS 31 HB3 LYS 31 5.247 -4.304 -3.893
243 HG2 LYS 31 HG2 LYS 31 7.552 -4.709 -4.746
244 HG3 LYS 31 HG3 LYS 31 7.467 -6.327 -4.044
245 HD2 LYS 31 HD2 LYS 31 5.636 -5.190 -6.158
246 HD3 LYS 31 HD3 LYS 31 6.896 -6.400 -6.405
247 HE2 LYS 31 HE2 LYS 31 5.705 -7.945 -4.934
248 HE3 LYS 31 HE3 LYS 31 4.455 -6.734 -4.664
249 HZ1 LYS 31 HZ1 LYS 31 3.749 -8.323 -6.310
250 HZ2 LYS 31 HZ2 LYS 31 5.108 -8.012 -7.261
251 HZ3 LYS 31 HZ3 LYS 31 3.943 -6.810 -7.034
252 H CYS 32 H CYS 32 4.552 -2.945 -2.737
253 HA CYS 32 HA CYS 32 3.583 -2.941 0.039
254 HB2 CYS 32 HB2 CYS 32 4.289 -0.720 -0.926
255 HB3 CYS 32 HB3 CYS 32 2.998 -0.892 -2.114
256 H ASP 33 H ASP 33 1.821 -4.115 0.341
257 HA ASP 33 HA ASP 33 -0.040 -4.442 -1.918
258 HB2 ASP 33 HB2 ASP 33 0.818 -6.581 -1.242
259 HB3 ASP 33 HB3 ASP 33 0.429 -6.267 0.445
260 H CYS 34 H CYS 34 -1.760 -3.287 -1.773
261 HA CYS 34 HA CYS 34 -2.521 -1.998 0.680
262 HB2 CYS 34 HB2 CYS 34 -3.959 -1.987 -1.968
263 HB3 CYS 34 HB3 CYS 34 -4.157 -0.836 -0.654
264 H THR 35 H THR 35 -4.369 -2.332 1.877
265 HA THR 35 HA THR 35 -5.580 -4.941 1.624
266 HB THR 35 HB THR 35 -6.324 -2.730 3.533
267 HG1 THR 35 HG1 THR 35 -4.085 -4.378 3.415
268 HG21 THR 35 HG21 THR 35 -7.902 -4.574 3.472
269 HG22 THR 35 HG22 THR 35 -6.991 -4.614 4.981
270 HG23 THR 35 HG23 THR 35 -6.589 -5.733 3.680
271 HA PRO 36 HA PRO 36 -8.794 -3.112 -0.854
272 HB2 PRO 36 HB2 PRO 36 -10.030 -5.462 -1.486
273 HB3 PRO 36 HB3 PRO 36 -8.605 -4.844 -2.311
274 HG2 PRO 36 HG2 PRO 36 -8.868 -7.087 -0.452
275 HG3 PRO 36 HG3 PRO 36 -7.578 -6.729 -1.607
276 HD2 PRO 36 HD2 PRO 36 -7.583 -6.320 1.211
277 HD3 PRO 36 HD3 PRO 36 -6.300 -5.918 0.058
278 H LYS 37 H LYS 37 -10.661 -2.274 -0.281
279 HA LYS 37 HA LYS 37 -11.853 -2.986 2.216
280 HB2 LYS 37 HB2 LYS 37 -13.513 -1.173 1.577
281 HB3 LYS 37 HB3 LYS 37 -11.836 -0.675 1.731
282 HG2 LYS 37 HG2 LYS 37 -11.586 -0.726 -0.692
283 HG3 LYS 37 HG3 LYS 37 -13.260 -1.257 -0.857
284 HD2 LYS 37 HD2 LYS 37 -14.012 0.824 0.199
285 HD3 LYS 37 HD3 LYS 37 -12.335 1.354 0.335
286 HE2 LYS 37 HE2 LYS 37 -12.105 1.331 -2.079
287 HE3 LYS 37 HE3 LYS 37 -13.748 0.715 -2.249
288 HZ1 LYS 37 HZ1 LYS 37 -13.001 3.347 -1.099
289 HZ2 LYS 37 HZ2 LYS 37 -14.575 2.756 -1.264
290 HZ3 LYS 37 HZ3 LYS 37 -13.651 3.090 -2.638
Start of MODEL 17
1 H1 VAL 1 H1 VAL 1 -5.989 -7.646 -5.589
2 H2 VAL 1 H2 VAL 1 -4.594 -8.197 -4.810
3 H3 VAL 1 H3 VAL 1 -4.516 -7.686 -6.416
4 HA VAL 1 HA VAL 1 -5.001 -5.450 -5.808
5 HB VAL 1 HB VAL 1 -5.111 -4.789 -3.433
6 HG11 VAL 1 HG11 VAL 1 -7.415 -5.423 -3.083
7 HG12 VAL 1 HG12 VAL 1 -7.252 -6.765 -4.212
8 HG13 VAL 1 HG13 VAL 1 -7.150 -5.105 -4.794
9 HG21 VAL 1 HG21 VAL 1 -3.973 -6.779 -2.544
10 HG22 VAL 1 HG22 VAL 1 -5.409 -7.739 -2.899
11 HG23 VAL 1 HG23 VAL 1 -5.489 -6.434 -1.713
12 H GLY 2 H GLY 2 -3.362 -3.958 -5.033
13 HA2 GLY 2 HA2 GLY 2 -1.101 -4.122 -3.737
14 HA3 GLY 2 HA3 GLY 2 -0.739 -5.274 -5.016
15 H ILE 3 H ILE 3 0.716 -2.864 -4.562
16 HA ILE 3 HA ILE 3 0.037 -1.407 -7.029
17 HB ILE 3 HB ILE 3 0.858 0.677 -5.893
18 HG12 ILE 3 HG12 ILE 3 0.518 -1.034 -3.418
19 HG13 ILE 3 HG13 ILE 3 2.041 -0.405 -4.037
20 HG21 ILE 3 HG21 ILE 3 -1.270 1.073 -4.698
21 HG22 ILE 3 HG22 ILE 3 -1.630 -0.647 -4.825
22 HG23 ILE 3 HG23 ILE 3 -1.494 0.335 -6.284
23 HD11 ILE 3 HD11 ILE 3 1.283 1.861 -3.614
24 HD12 ILE 3 HD12 ILE 3 1.230 0.887 -2.146
25 HD13 ILE 3 HD13 ILE 3 -0.258 1.245 -3.022
26 H ASN 4 H ASN 4 1.872 0.085 -7.634
27 HA ASN 4 HA ASN 4 4.238 -1.552 -7.967
28 HB2 ASN 4 HB2 ASN 4 4.889 0.314 -9.549
29 HB3 ASN 4 HB3 ASN 4 3.392 -0.521 -9.951
30 HD21 ASN 4 HD21 ASN 4 4.757 2.416 -8.609
31 HD22 ASN 4 HD22 ASN 4 3.349 3.395 -8.841
32 H VAL 5 H VAL 5 3.924 -0.559 -5.327
33 HA VAL 5 HA VAL 5 6.059 1.467 -5.191
34 HB VAL 5 HB VAL 5 3.853 0.993 -3.178
35 HG11 VAL 5 HG11 VAL 5 4.679 3.175 -2.253
36 HG12 VAL 5 HG12 VAL 5 6.093 3.001 -3.290
37 HG13 VAL 5 HG13 VAL 5 5.768 1.808 -2.031
38 HG21 VAL 5 HG21 VAL 5 2.955 3.125 -3.918
39 HG22 VAL 5 HG22 VAL 5 3.027 1.983 -5.260
40 HG23 VAL 5 HG23 VAL 5 4.233 3.264 -5.125
41 H LYS 6 H LYS 6 7.690 1.191 -3.666
42 HA LYS 6 HA LYS 6 8.149 -1.599 -2.984
43 HB2 LYS 6 HB2 LYS 6 9.997 0.791 -2.891
44 HB3 LYS 6 HB3 LYS 6 10.472 -0.869 -2.559
45 HG2 LYS 6 HG2 LYS 6 9.802 -1.473 -4.865
46 HG3 LYS 6 HG3 LYS 6 9.472 0.231 -5.176
47 HD2 LYS 6 HD2 LYS 6 11.790 0.789 -4.751
48 HD3 LYS 6 HD3 LYS 6 12.139 -0.884 -4.318
49 HE2 LYS 6 HE2 LYS 6 11.267 0.125 -7.022
50 HE3 LYS 6 HE3 LYS 6 12.881 -0.428 -6.582
51 HZ1 LYS 6 HZ1 LYS 6 11.862 -2.624 -6.078
52 HZ2 LYS 6 HZ2 LYS 6 11.785 -2.188 -7.706
53 HZ3 LYS 6 HZ3 LYS 6 10.409 -2.061 -6.736
54 H CYS 7 H CYS 7 8.520 -2.357 -0.970
55 HA CYS 7 HA CYS 7 7.218 -1.003 1.169
56 HB2 CYS 7 HB2 CYS 7 7.037 -3.388 1.037
57 HB3 CYS 7 HB3 CYS 7 8.784 -3.579 1.020
58 H LYS 8 H LYS 8 8.381 0.898 1.599
59 HA LYS 8 HA LYS 8 11.071 0.594 2.674
60 HB2 LYS 8 HB2 LYS 8 9.275 3.008 2.370
61 HB3 LYS 8 HB3 LYS 8 10.885 3.071 3.073
62 HG2 LYS 8 HG2 LYS 8 10.236 2.214 0.256
63 HG3 LYS 8 HG3 LYS 8 10.867 3.790 0.736
64 HD2 LYS 8 HD2 LYS 8 12.877 2.685 1.634
65 HD3 LYS 8 HD3 LYS 8 12.246 1.129 1.092
66 HE2 LYS 8 HE2 LYS 8 12.262 1.939 -1.221
67 HE3 LYS 8 HE3 LYS 8 12.911 3.484 -0.673
68 HZ1 LYS 8 HZ1 LYS 8 14.875 2.338 0.129
69 HZ2 LYS 8 HZ2 LYS 8 14.648 2.034 -1.518
70 HZ3 LYS 8 HZ3 LYS 8 14.251 0.849 -0.380
71 H HIS 9 H HIS 9 7.839 1.531 3.729
72 HA HIS 9 HA HIS 9 8.111 0.303 6.265
73 HB2 HIS 9 HB2 HIS 9 7.688 2.538 7.533
74 HB3 HIS 9 HB3 HIS 9 9.335 2.112 7.089
75 HD1 HIS 9 HD1 HIS 9 10.519 3.578 5.352
76 HD2 HIS 9 HD2 HIS 9 6.614 4.758 6.166
77 HE1 HIS 9 HE1 HIS 9 10.246 5.812 4.242
78 HE2 HIS 9 HE2 HIS 9 7.914 6.571 4.853
79 H SER 10 H SER 10 6.103 0.261 7.410
80 HA SER 10 HA SER 10 3.989 -0.221 5.720
81 HB2 SER 10 HB2 SER 10 2.598 -0.269 7.815
82 HB3 SER 10 HB3 SER 10 4.076 -1.227 7.890
83 HG SER 10 HG SER 10 3.694 0.099 9.764
84 H GLY 11 H GLY 11 4.499 2.669 7.714
85 HA2 GLY 11 HA2 GLY 11 2.070 3.946 7.154
86 HA3 GLY 11 HA3 GLY 11 3.544 4.750 7.663
87 H GLN 12 H GLN 12 4.822 3.534 5.127
88 HA GLN 12 HA GLN 12 4.372 5.850 3.496
89 HB2 GLN 12 HB2 GLN 12 6.586 4.623 3.669
90 HB3 GLN 12 HB3 GLN 12 5.857 3.339 2.720
91 HG2 GLN 12 HG2 GLN 12 5.470 4.882 0.891
92 HG3 GLN 12 HG3 GLN 12 6.200 6.186 1.827
93 HE21 GLN 12 HE21 GLN 12 6.761 3.308 -0.007
94 HE22 GLN 12 HE22 GLN 12 8.477 3.475 -0.127
95 H CYS 13 H CYS 13 3.526 2.434 3.357
96 HA CYS 13 HA CYS 13 2.589 2.494 0.680
97 HB2 CYS 13 HB2 CYS 13 2.023 0.497 2.878
98 HB3 CYS 13 HB3 CYS 13 1.723 0.245 1.165
99 H LEU 14 H LEU 14 1.222 3.532 3.605
100 HA LEU 14 HA LEU 14 -1.508 3.029 3.166
101 HB2 LEU 14 HB2 LEU 14 0.098 4.546 4.999
102 HB3 LEU 14 HB3 LEU 14 -1.278 5.502 4.503
103 HG LEU 14 HG LEU 14 -1.738 4.289 6.567
104 HD11 LEU 14 HD11 LEU 14 -3.239 3.403 4.131
105 HD12 LEU 14 HD12 LEU 14 -3.629 4.737 5.214
106 HD13 LEU 14 HD13 LEU 14 -3.787 3.072 5.772
107 HD21 LEU 14 HD21 LEU 14 -1.334 1.790 4.928
108 HD22 LEU 14 HD22 LEU 14 -1.867 1.867 6.607
109 HD23 LEU 14 HD23 LEU 14 -0.237 2.383 6.176
110 H LYS 15 H LYS 15 0.602 5.651 2.123
111 HA LYS 15 HA LYS 15 -1.482 7.378 1.280
112 HB2 LYS 15 HB2 LYS 15 1.447 7.372 0.559
113 HB3 LYS 15 HB3 LYS 15 0.325 8.671 0.185
114 HG2 LYS 15 HG2 LYS 15 -0.046 9.063 2.550
115 HG3 LYS 15 HG3 LYS 15 1.017 7.715 2.955
116 HD2 LYS 15 HD2 LYS 15 2.891 8.875 1.891
117 HD3 LYS 15 HD3 LYS 15 1.828 10.221 1.482
118 HE2 LYS 15 HE2 LYS 15 2.451 9.274 4.279
119 HE3 LYS 15 HE3 LYS 15 3.184 10.669 3.488
120 HZ1 LYS 15 HZ1 LYS 15 0.995 11.683 3.332
121 HZ2 LYS 15 HZ2 LYS 15 1.378 11.331 4.942
122 HZ3 LYS 15 HZ3 LYS 15 0.296 10.347 4.096
123 HA PRO 16 HA PRO 16 -0.548 6.033 -3.210
124 HB2 PRO 16 HB2 PRO 16 0.848 3.764 -3.680
125 HB3 PRO 16 HB3 PRO 16 1.614 5.347 -3.523
126 HG2 PRO 16 HG2 PRO 16 1.360 3.157 -1.503
127 HG3 PRO 16 HG3 PRO 16 2.757 4.187 -1.868
128 HD2 PRO 16 HD2 PRO 16 1.117 4.623 0.246
129 HD3 PRO 16 HD3 PRO 16 1.959 5.929 -0.606
130 H CYS 17 H CYS 17 -1.252 3.682 -0.728
131 HA CYS 17 HA CYS 17 -2.793 1.989 -2.450
132 HB2 CYS 17 HB2 CYS 17 -2.349 2.145 0.509
133 HB3 CYS 17 HB3 CYS 17 -3.574 1.096 -0.168
134 H LYS 18 H LYS 18 -3.495 4.580 -0.113
135 HA LYS 18 HA LYS 18 -6.323 4.338 -0.389
136 HB2 LYS 18 HB2 LYS 18 -6.424 6.478 0.779
137 HB3 LYS 18 HB3 LYS 18 -5.311 5.387 1.584
138 HG2 LYS 18 HG2 LYS 18 -3.426 6.537 0.653
139 HG3 LYS 18 HG3 LYS 18 -4.482 7.550 -0.331
140 HD2 LYS 18 HD2 LYS 18 -4.462 7.503 2.688
141 HD3 LYS 18 HD3 LYS 18 -3.608 8.688 1.699
142 HE2 LYS 18 HE2 LYS 18 -5.738 9.394 0.720
143 HE3 LYS 18 HE3 LYS 18 -6.586 8.218 1.720
144 HZ1 LYS 18 HZ1 LYS 18 -6.697 10.404 2.697
145 HZ2 LYS 18 HZ2 LYS 18 -5.011 10.530 2.706
146 HZ3 LYS 18 HZ3 LYS 18 -5.778 9.384 3.685
147 H LYS 19 H LYS 19 -3.812 5.850 -2.195
148 HA LYS 19 HA LYS 19 -5.658 7.457 -3.774
149 HB2 LYS 19 HB2 LYS 19 -2.676 7.012 -3.990
150 HB3 LYS 19 HB3 LYS 19 -3.598 8.047 -5.070
151 HG2 LYS 19 HG2 LYS 19 -4.199 9.488 -3.213
152 HG3 LYS 19 HG3 LYS 19 -3.344 8.426 -2.093
153 HD2 LYS 19 HD2 LYS 19 -1.996 10.386 -2.666
154 HD3 LYS 19 HD3 LYS 19 -1.240 8.900 -3.238
155 HE2 LYS 19 HE2 LYS 19 -2.081 9.320 -5.482
156 HE3 LYS 19 HE3 LYS 19 -2.895 10.777 -4.920
157 HZ1 LYS 19 HZ1 LYS 19 0.039 10.343 -4.840
158 HZ2 LYS 19 HZ2 LYS 19 -0.775 11.765 -4.428
159 HZ3 LYS 19 HZ3 LYS 19 -0.770 11.227 -6.031
160 H ALA 20 H ALA 20 -4.686 4.332 -3.589
161 HA ALA 20 HA ALA 20 -4.819 3.745 -6.442
162 HB1 ALA 20 HB1 ALA 20 -4.392 1.969 -4.043
163 HB2 ALA 20 HB2 ALA 20 -3.157 2.544 -5.168
164 HB3 ALA 20 HB3 ALA 20 -4.393 1.412 -5.718
165 H GLY 21 H GLY 21 -6.944 4.273 -3.980
166 HA2 GLY 21 HA2 GLY 21 -9.267 4.035 -4.039
167 HA3 GLY 21 HA3 GLY 21 -9.094 2.893 -5.363
168 H MET 22 H MET 22 -7.020 2.305 -2.738
169 HA MET 22 HA MET 22 -8.749 0.091 -1.894
170 HB2 MET 22 HB2 MET 22 -5.757 0.417 -1.587
171 HB3 MET 22 HB3 MET 22 -6.692 -0.949 -1.003
172 HG2 MET 22 HG2 MET 22 -6.372 -0.122 -3.874
173 HG3 MET 22 HG3 MET 22 -5.599 -1.493 -3.079
174 HE1 MET 22 HE1 MET 22 -7.404 -1.497 -5.801
175 HE2 MET 22 HE2 MET 22 -8.279 -3.012 -5.586
176 HE3 MET 22 HE3 MET 22 -6.563 -2.924 -5.197
177 H ARG 23 H ARG 23 -7.959 -0.568 0.519
178 HA ARG 23 HA ARG 23 -9.029 1.659 2.025
179 HB2 ARG 23 HB2 ARG 23 -9.733 -0.786 2.241
180 HB3 ARG 23 HB3 ARG 23 -8.239 -1.027 3.130
181 HG2 ARG 23 HG2 ARG 23 -8.998 0.035 4.963
182 HG3 ARG 23 HG3 ARG 23 -9.947 1.194 4.032
183 HD2 ARG 23 HD2 ARG 23 -11.271 -0.448 5.413
184 HD3 ARG 23 HD3 ARG 23 -11.703 -0.354 3.709
185 HE ARG 23 HE ARG 23 -10.270 -2.412 3.458
186 HH11 ARG 23 HH11 ARG 23 -11.893 -1.637 6.466
187 HH12 ARG 23 HH12 ARG 23 -12.016 -3.290 6.966
188 HH21 ARG 23 HH21 ARG 23 -10.442 -4.577 4.111
189 HH22 ARG 23 HH22 ARG 23 -11.189 -4.969 5.628
190 H PHE 24 H PHE 24 -6.394 -0.559 3.005
191 HA PHE 24 HA PHE 24 -4.800 1.825 3.666
192 HB2 PHE 24 HB2 PHE 24 -4.047 -0.552 5.183
193 HB3 PHE 24 HB3 PHE 24 -4.348 1.084 5.750
194 HD1 PHE 24 HD1 PHE 24 -5.827 -2.161 5.025
195 HD2 PHE 24 HD2 PHE 24 -6.467 1.683 6.709
196 HE1 PHE 24 HE1 PHE 24 -7.896 -2.969 6.033
197 HE2 PHE 24 HE2 PHE 24 -8.549 0.882 7.754
198 HZ PHE 24 HZ PHE 24 -9.270 -1.455 7.423
199 H GLY 25 H GLY 25 -2.406 0.915 4.084
200 HA2 GLY 25 HA2 GLY 25 -1.735 -0.852 1.833
201 HA3 GLY 25 HA3 GLY 25 -0.906 0.682 2.048
202 H LYS 26 H LYS 26 -0.822 -2.576 2.691
203 HA LYS 26 HA LYS 26 0.733 -2.343 5.147
204 HB2 LYS 26 HB2 LYS 26 -1.011 -4.164 4.718
205 HB3 LYS 26 HB3 LYS 26 0.146 -4.848 3.588
206 HG2 LYS 26 HG2 LYS 26 1.767 -5.121 5.381
207 HG3 LYS 26 HG3 LYS 26 0.620 -4.423 6.525
208 HD2 LYS 26 HD2 LYS 26 0.158 -6.935 4.919
209 HD3 LYS 26 HD3 LYS 26 0.676 -6.894 6.604
210 HE2 LYS 26 HE2 LYS 26 -1.915 -5.804 5.507
211 HE3 LYS 26 HE3 LYS 26 -1.722 -7.290 6.432
212 HZ1 LYS 26 HZ1 LYS 26 -1.246 -4.527 7.399
213 HZ2 LYS 26 HZ2 LYS 26 -0.890 -5.919 8.288
214 HZ3 LYS 26 HZ3 LYS 26 -2.491 -5.569 7.872
215 H CYS 27 H CYS 27 2.860 -3.189 5.294
216 HA CYS 27 HA CYS 27 4.395 -2.839 2.841
217 HB2 CYS 27 HB2 CYS 27 4.871 -2.038 5.421
218 HB3 CYS 27 HB3 CYS 27 5.845 -3.501 5.318
219 H ILE 28 H ILE 28 4.738 -4.580 1.633
220 HA ILE 28 HA ILE 28 4.780 -7.206 2.950
221 HB ILE 28 HB ILE 28 2.850 -6.376 1.282
222 HG12 ILE 28 HG12 ILE 28 2.330 -8.740 0.830
223 HG13 ILE 28 HG13 ILE 28 3.934 -9.196 1.383
224 HG21 ILE 28 HG21 ILE 28 4.858 -7.673 -0.542
225 HG22 ILE 28 HG22 ILE 28 4.274 -6.011 -0.616
226 HG23 ILE 28 HG23 ILE 28 3.172 -7.346 -0.944
227 HD11 ILE 28 HD11 ILE 28 1.870 -7.811 3.074
228 HD12 ILE 28 HD12 ILE 28 3.428 -8.437 3.609
229 HD13 ILE 28 HD13 ILE 28 2.172 -9.547 3.067
230 H ASN 29 H ASN 29 5.757 -8.854 1.181
231 HA ASN 29 HA ASN 29 8.453 -8.690 1.195
232 HB2 ASN 29 HB2 ASN 29 6.886 -9.933 -1.072
233 HB3 ASN 29 HB3 ASN 29 8.506 -10.371 -0.548
234 HD21 ASN 29 HD21 ASN 29 5.125 -10.638 0.061
235 HD22 ASN 29 HD22 ASN 29 5.227 -11.847 1.295
236 H GLY 30 H GLY 30 9.097 -6.536 0.719
237 HA2 GLY 30 HA2 GLY 30 10.215 -5.054 -0.635
238 HA3 GLY 30 HA3 GLY 30 10.036 -6.203 -1.949
239 H LYS 31 H LYS 31 6.972 -5.773 -0.929
240 HA LYS 31 HA LYS 31 6.530 -3.600 -2.882
241 HB2 LYS 31 HB2 LYS 31 6.076 -5.908 -3.779
242 HB3 LYS 31 HB3 LYS 31 4.837 -6.089 -2.550
243 HG2 LYS 31 HG2 LYS 31 3.740 -4.038 -3.551
244 HG3 LYS 31 HG3 LYS 31 4.868 -4.215 -4.895
245 HD2 LYS 31 HD2 LYS 31 2.856 -6.263 -3.963
246 HD3 LYS 31 HD3 LYS 31 2.738 -5.273 -5.416
247 HE2 LYS 31 HE2 LYS 31 4.798 -6.339 -6.267
248 HE3 LYS 31 HE3 LYS 31 4.833 -7.367 -4.837
249 HZ1 LYS 31 HZ1 LYS 31 2.689 -7.309 -6.890
250 HZ2 LYS 31 HZ2 LYS 31 2.672 -8.265 -5.497
251 HZ3 LYS 31 HZ3 LYS 31 3.843 -8.527 -6.690
252 H CYS 32 H CYS 32 4.350 -2.562 -2.615
253 HA CYS 32 HA CYS 32 3.455 -2.659 0.171
254 HB2 CYS 32 HB2 CYS 32 2.901 -0.677 -2.039
255 HB3 CYS 32 HB3 CYS 32 2.096 -0.635 -0.478
256 H ASP 33 H ASP 33 1.922 -4.062 0.590
257 HA ASP 33 HA ASP 33 0.030 -4.833 -1.505
258 HB2 ASP 33 HB2 ASP 33 1.119 -6.667 -0.395
259 HB3 ASP 33 HB3 ASP 33 0.632 -6.074 1.186
260 H CYS 34 H CYS 34 -1.680 -3.665 -1.613
261 HA CYS 34 HA CYS 34 -2.632 -2.105 0.615
262 HB2 CYS 34 HB2 CYS 34 -3.911 -2.435 -2.096
263 HB3 CYS 34 HB3 CYS 34 -4.184 -1.136 -0.944
264 H THR 35 H THR 35 -4.539 -2.373 1.735
265 HA THR 35 HA THR 35 -5.766 -5.007 1.558
266 HB THR 35 HB THR 35 -6.453 -2.718 3.403
267 HG1 THR 35 HG1 THR 35 -4.391 -4.603 3.461
268 HG21 THR 35 HG21 THR 35 -8.188 -4.421 3.246
269 HG22 THR 35 HG22 THR 35 -7.397 -4.488 4.825
270 HG23 THR 35 HG23 THR 35 -6.999 -5.681 3.588
271 HA PRO 36 HA PRO 36 -9.046 -3.292 -0.946
272 HB2 PRO 36 HB2 PRO 36 -10.636 -5.636 -0.350
273 HB3 PRO 36 HB3 PRO 36 -9.897 -5.155 -1.872
274 HG2 PRO 36 HG2 PRO 36 -9.085 -7.301 -0.355
275 HG3 PRO 36 HG3 PRO 36 -8.064 -6.457 -1.527
276 HD2 PRO 36 HD2 PRO 36 -8.087 -6.283 1.439
277 HD3 PRO 36 HD3 PRO 36 -6.736 -6.104 0.301
278 H LYS 37 H LYS 37 -11.390 -2.834 -0.641
279 HA LYS 37 HA LYS 37 -11.785 -2.000 2.118
280 HB2 LYS 37 HB2 LYS 37 -13.332 -1.282 -0.378
281 HB3 LYS 37 HB3 LYS 37 -13.565 -0.571 1.213
282 HG2 LYS 37 HG2 LYS 37 -11.273 0.302 1.148
283 HG3 LYS 37 HG3 LYS 37 -11.070 -0.384 -0.464
284 HD2 LYS 37 HD2 LYS 37 -11.588 1.978 -0.624
285 HD3 LYS 37 HD3 LYS 37 -12.922 1.023 -1.271
286 HE2 LYS 37 HE2 LYS 37 -14.175 1.321 0.774
287 HE3 LYS 37 HE3 LYS 37 -12.820 2.164 1.518
288 HZ1 LYS 37 HZ1 LYS 37 -14.447 3.735 0.759
289 HZ2 LYS 37 HZ2 LYS 37 -14.414 3.098 -0.805
290 HZ3 LYS 37 HZ3 LYS 37 -13.057 3.891 -0.189
Start of MODEL 18
1 H1 VAL 1 H1 VAL 1 -3.095 -3.569 -3.011
2 H2 VAL 1 H2 VAL 1 -4.678 -4.137 -2.843
3 H3 VAL 1 H3 VAL 1 -3.934 -4.140 -4.361
4 HA VAL 1 HA VAL 1 -3.085 -5.742 -2.031
5 HB VAL 1 HB VAL 1 -3.806 -7.679 -3.489
6 HG11 VAL 1 HG11 VAL 1 -6.015 -5.803 -2.619
7 HG12 VAL 1 HG12 VAL 1 -5.115 -6.876 -1.546
8 HG13 VAL 1 HG13 VAL 1 -6.128 -7.553 -2.819
9 HG21 VAL 1 HG21 VAL 1 -5.058 -5.413 -5.007
10 HG22 VAL 1 HG22 VAL 1 -5.592 -7.087 -5.157
11 HG23 VAL 1 HG23 VAL 1 -3.949 -6.641 -5.620
12 H GLY 2 H GLY 2 -1.703 -3.916 -4.150
13 HA2 GLY 2 HA2 GLY 2 0.757 -4.943 -4.232
14 HA3 GLY 2 HA3 GLY 2 -0.029 -5.848 -5.519
15 H ILE 3 H ILE 3 1.043 -2.696 -4.462
16 HA ILE 3 HA ILE 3 0.440 -1.601 -7.117
17 HB ILE 3 HB ILE 3 0.873 0.622 -6.063
18 HG12 ILE 3 HG12 ILE 3 0.891 -0.984 -3.497
19 HG13 ILE 3 HG13 ILE 3 2.297 -0.206 -4.217
20 HG21 ILE 3 HG21 ILE 3 -1.252 0.664 -4.766
21 HG22 ILE 3 HG22 ILE 3 -1.293 -1.098 -4.862
22 HG23 ILE 3 HG23 ILE 3 -1.392 -0.133 -6.335
23 HD11 ILE 3 HD11 ILE 3 1.331 1.960 -3.863
24 HD12 ILE 3 HD12 ILE 3 1.329 1.060 -2.348
25 HD13 ILE 3 HD13 ILE 3 -0.163 1.238 -3.272
26 H ASN 4 H ASN 4 2.119 0.220 -7.642
27 HA ASN 4 HA ASN 4 4.486 -1.255 -8.289
28 HB2 ASN 4 HB2 ASN 4 5.032 0.611 -9.711
29 HB3 ASN 4 HB3 ASN 4 3.305 0.296 -9.857
30 HD21 ASN 4 HD21 ASN 4 5.732 2.512 -8.824
31 HD22 ASN 4 HD22 ASN 4 4.676 3.828 -8.443
32 H VAL 5 H VAL 5 3.879 0.015 -5.463
33 HA VAL 5 HA VAL 5 6.252 1.714 -5.206
34 HB VAL 5 HB VAL 5 4.027 1.253 -3.212
35 HG11 VAL 5 HG11 VAL 5 4.880 3.269 -2.121
36 HG12 VAL 5 HG12 VAL 5 6.190 3.354 -3.301
37 HG13 VAL 5 HG13 VAL 5 6.105 1.999 -2.174
38 HG21 VAL 5 HG21 VAL 5 3.157 3.412 -3.911
39 HG22 VAL 5 HG22 VAL 5 3.211 2.295 -5.275
40 HG23 VAL 5 HG23 VAL 5 4.437 3.554 -5.117
41 H LYS 6 H LYS 6 7.936 1.225 -3.888
42 HA LYS 6 HA LYS 6 8.233 -1.543 -3.115
43 HB2 LYS 6 HB2 LYS 6 10.037 -0.162 -4.215
44 HB3 LYS 6 HB3 LYS 6 10.168 0.734 -2.712
45 HG2 LYS 6 HG2 LYS 6 10.773 -1.332 -1.540
46 HG3 LYS 6 HG3 LYS 6 10.684 -2.206 -3.070
47 HD2 LYS 6 HD2 LYS 6 12.432 -0.718 -3.980
48 HD3 LYS 6 HD3 LYS 6 12.556 0.062 -2.403
49 HE2 LYS 6 HE2 LYS 6 14.314 -1.569 -2.629
50 HE3 LYS 6 HE3 LYS 6 13.163 -2.113 -1.413
51 HZ1 LYS 6 HZ1 LYS 6 13.816 -3.912 -2.872
52 HZ2 LYS 6 HZ2 LYS 6 13.279 -3.052 -4.224
53 HZ3 LYS 6 HZ3 LYS 6 12.169 -3.576 -3.063
54 H CYS 7 H CYS 7 8.531 -2.308 -1.051
55 HA CYS 7 HA CYS 7 7.132 -0.842 0.992
56 HB2 CYS 7 HB2 CYS 7 6.626 -3.139 0.916
57 HB3 CYS 7 HB3 CYS 7 8.321 -3.597 0.817
58 H LYS 8 H LYS 8 8.362 0.867 1.736
59 HA LYS 8 HA LYS 8 10.908 0.254 2.998
60 HB2 LYS 8 HB2 LYS 8 9.294 2.813 2.896
61 HB3 LYS 8 HB3 LYS 8 10.892 2.653 3.609
62 HG2 LYS 8 HG2 LYS 8 10.291 2.123 0.709
63 HG3 LYS 8 HG3 LYS 8 10.853 3.672 1.336
64 HD2 LYS 8 HD2 LYS 8 12.865 2.535 2.219
65 HD3 LYS 8 HD3 LYS 8 12.311 1.036 1.476
66 HE2 LYS 8 HE2 LYS 8 12.456 2.012 -0.720
67 HE3 LYS 8 HE3 LYS 8 12.845 3.590 -0.034
68 HZ1 LYS 8 HZ1 LYS 8 14.814 2.460 -0.853
69 HZ2 LYS 8 HZ2 LYS 8 14.530 1.156 0.186
70 HZ3 LYS 8 HZ3 LYS 8 14.903 2.678 0.822
71 H HIS 9 H HIS 9 7.750 1.605 3.915
72 HA HIS 9 HA HIS 9 7.744 0.062 6.388
73 HB2 HIS 9 HB2 HIS 9 7.094 3.001 6.563
74 HB3 HIS 9 HB3 HIS 9 7.474 1.880 7.864
75 HD1 HIS 9 HD1 HIS 9 9.027 4.110 5.335
76 HD2 HIS 9 HD2 HIS 9 10.238 1.505 8.336
77 HE1 HIS 9 HE1 HIS 9 11.498 4.394 5.501
78 HE2 HIS 9 HE2 HIS 9 12.242 2.720 7.231
79 H SER 10 H SER 10 5.543 -0.006 7.323
80 HA SER 10 HA SER 10 3.577 -0.258 5.328
81 HB2 SER 10 HB2 SER 10 2.005 -0.526 7.289
82 HB3 SER 10 HB3 SER 10 3.403 -1.600 7.298
83 HG SER 10 HG SER 10 2.862 -0.453 9.325
84 H GLY 11 H GLY 11 4.270 2.299 7.652
85 HA2 GLY 11 HA2 GLY 11 2.037 3.928 7.223
86 HA3 GLY 11 HA3 GLY 11 3.617 4.494 7.743
87 H GLN 12 H GLN 12 4.882 3.450 5.261
88 HA GLN 12 HA GLN 12 4.505 5.766 3.632
89 HB2 GLN 12 HB2 GLN 12 6.705 4.652 3.768
90 HB3 GLN 12 HB3 GLN 12 6.020 3.219 3.021
91 HG2 GLN 12 HG2 GLN 12 5.469 4.571 1.037
92 HG3 GLN 12 HG3 GLN 12 6.320 5.928 1.768
93 HE21 GLN 12 HE21 GLN 12 6.611 2.833 0.255
94 HE22 GLN 12 HE22 GLN 12 8.318 2.893 -0.008
95 H CYS 13 H CYS 13 3.606 2.363 3.412
96 HA CYS 13 HA CYS 13 2.740 2.499 0.709
97 HB2 CYS 13 HB2 CYS 13 2.166 0.431 2.837
98 HB3 CYS 13 HB3 CYS 13 1.880 0.227 1.113
99 H LEU 14 H LEU 14 1.297 3.381 3.657
100 HA LEU 14 HA LEU 14 -1.421 2.992 3.206
101 HB2 LEU 14 HB2 LEU 14 -0.011 5.293 4.554
102 HB3 LEU 14 HB3 LEU 14 -1.727 4.980 4.668
103 HG LEU 14 HG LEU 14 0.490 3.221 5.715
104 HD11 LEU 14 HD11 LEU 14 -1.608 4.837 7.151
105 HD12 LEU 14 HD12 LEU 14 0.104 5.241 7.033
106 HD13 LEU 14 HD13 LEU 14 -0.404 3.794 7.905
107 HD21 LEU 14 HD21 LEU 14 -1.302 1.821 4.948
108 HD22 LEU 14 HD22 LEU 14 -2.497 2.837 5.756
109 HD23 LEU 14 HD23 LEU 14 -1.350 1.897 6.710
110 H LYS 15 H LYS 15 0.646 5.689 2.289
111 HA LYS 15 HA LYS 15 -1.323 7.418 1.396
112 HB2 LYS 15 HB2 LYS 15 0.800 8.255 2.005
113 HB3 LYS 15 HB3 LYS 15 1.623 7.209 0.862
114 HG2 LYS 15 HG2 LYS 15 0.634 8.430 -0.970
115 HG3 LYS 15 HG3 LYS 15 -0.180 9.505 0.161
116 HD2 LYS 15 HD2 LYS 15 2.805 9.171 -0.157
117 HD3 LYS 15 HD3 LYS 15 1.849 10.546 -0.709
118 HE2 LYS 15 HE2 LYS 15 2.215 9.675 2.156
119 HE3 LYS 15 HE3 LYS 15 3.000 11.049 1.384
120 HZ1 LYS 15 HZ1 LYS 15 1.129 11.792 2.667
121 HZ2 LYS 15 HZ2 LYS 15 0.086 10.731 1.864
122 HZ3 LYS 15 HZ3 LYS 15 0.790 12.018 1.027
123 HA PRO 16 HA PRO 16 -0.534 6.136 -3.113
124 HB2 PRO 16 HB2 PRO 16 0.869 3.892 -3.696
125 HB3 PRO 16 HB3 PRO 16 1.614 5.483 -3.524
126 HG2 PRO 16 HG2 PRO 16 1.536 3.207 -1.603
127 HG3 PRO 16 HG3 PRO 16 2.839 4.361 -1.928
128 HD2 PRO 16 HD2 PRO 16 1.145 4.508 0.228
129 HD3 PRO 16 HD3 PRO 16 2.008 5.893 -0.462
130 H CYS 17 H CYS 17 -1.145 3.667 -0.718
131 HA CYS 17 HA CYS 17 -2.615 1.959 -2.477
132 HB2 CYS 17 HB2 CYS 17 -2.124 2.057 0.468
133 HB3 CYS 17 HB3 CYS 17 -3.375 1.016 -0.178
134 H LYS 18 H LYS 18 -3.450 4.543 -0.198
135 HA LYS 18 HA LYS 18 -6.256 4.171 -0.402
136 HB2 LYS 18 HB2 LYS 18 -6.453 6.377 0.569
137 HB3 LYS 18 HB3 LYS 18 -5.161 5.514 1.388
138 HG2 LYS 18 HG2 LYS 18 -3.500 6.722 0.164
139 HG3 LYS 18 HG3 LYS 18 -4.734 7.487 -0.836
140 HD2 LYS 18 HD2 LYS 18 -5.628 8.606 1.166
141 HD3 LYS 18 HD3 LYS 18 -4.358 7.857 2.137
142 HE2 LYS 18 HE2 LYS 18 -2.658 8.999 0.821
143 HE3 LYS 18 HE3 LYS 18 -3.905 9.715 -0.195
144 HZ1 LYS 18 HZ1 LYS 18 -3.138 11.274 1.461
145 HZ2 LYS 18 HZ2 LYS 18 -3.536 10.208 2.706
146 HZ3 LYS 18 HZ3 LYS 18 -4.755 10.880 1.749
147 H LYS 19 H LYS 19 -3.851 5.583 -2.415
148 HA LYS 19 HA LYS 19 -5.734 7.061 -4.060
149 HB2 LYS 19 HB2 LYS 19 -2.761 6.581 -4.356
150 HB3 LYS 19 HB3 LYS 19 -3.721 7.586 -5.431
151 HG2 LYS 19 HG2 LYS 19 -4.250 9.079 -3.572
152 HG3 LYS 19 HG3 LYS 19 -3.295 8.066 -2.489
153 HD2 LYS 19 HD2 LYS 19 -2.010 10.006 -3.190
154 HD3 LYS 19 HD3 LYS 19 -1.295 8.528 -3.835
155 HE2 LYS 19 HE2 LYS 19 -1.314 10.281 -5.517
156 HE3 LYS 19 HE3 LYS 19 -2.369 8.955 -5.994
157 HZ1 LYS 19 HZ1 LYS 19 -4.265 10.258 -5.210
158 HZ2 LYS 19 HZ2 LYS 19 -3.415 11.070 -6.421
159 HZ3 LYS 19 HZ3 LYS 19 -3.234 11.535 -4.806
160 H ALA 20 H ALA 20 -4.708 3.951 -3.708
161 HA ALA 20 HA ALA 20 -5.084 3.176 -6.491
162 HB1 ALA 20 HB1 ALA 20 -4.488 1.563 -4.003
163 HB2 ALA 20 HB2 ALA 20 -3.354 2.008 -5.283
164 HB3 ALA 20 HB3 ALA 20 -4.666 0.878 -5.622
165 H GLY 21 H GLY 21 -7.036 4.175 -4.178
166 HA2 GLY 21 HA2 GLY 21 -9.331 4.068 -3.978
167 HA3 GLY 21 HA3 GLY 21 -9.346 2.848 -5.243
168 H MET 22 H MET 22 -7.296 2.408 -2.483
169 HA MET 22 HA MET 22 -9.136 0.305 -1.581
170 HB2 MET 22 HB2 MET 22 -6.112 0.251 -1.570
171 HB3 MET 22 HB3 MET 22 -7.154 -1.013 -0.934
172 HG2 MET 22 HG2 MET 22 -8.170 -1.160 -3.239
173 HG3 MET 22 HG3 MET 22 -6.851 -0.135 -3.785
174 HE1 MET 22 HE1 MET 22 -6.355 -2.002 -5.586
175 HE2 MET 22 HE2 MET 22 -7.606 -3.060 -4.934
176 HE3 MET 22 HE3 MET 22 -5.976 -3.678 -5.194
177 H ARG 23 H ARG 23 -8.272 -0.461 0.768
178 HA ARG 23 HA ARG 23 -9.167 1.778 2.321
179 HB2 ARG 23 HB2 ARG 23 -9.904 -0.624 2.600
180 HB3 ARG 23 HB3 ARG 23 -8.345 -0.939 3.336
181 HG2 ARG 23 HG2 ARG 23 -8.885 0.090 5.258
182 HG3 ARG 23 HG3 ARG 23 -9.886 1.303 4.459
183 HD2 ARG 23 HD2 ARG 23 -11.068 -0.407 5.932
184 HD3 ARG 23 HD3 ARG 23 -11.726 -0.141 4.323
185 HE ARG 23 HE ARG 23 -10.086 -2.237 3.936
186 HH11 ARG 23 HH11 ARG 23 -12.546 -1.622 6.346
187 HH12 ARG 23 HH12 ARG 23 -13.021 -3.287 6.466
188 HH21 ARG 23 HH21 ARG 23 -10.740 -4.422 4.066
189 HH22 ARG 23 HH22 ARG 23 -12.002 -4.869 5.170
190 H PHE 24 H PHE 24 -6.439 -0.426 3.113
191 HA PHE 24 HA PHE 24 -4.868 1.980 3.750
192 HB2 PHE 24 HB2 PHE 24 -4.007 -0.367 5.243
193 HB3 PHE 24 HB3 PHE 24 -4.332 1.260 5.814
194 HD1 PHE 24 HD1 PHE 24 -5.765 -2.011 5.123
195 HD2 PHE 24 HD2 PHE 24 -6.391 1.781 6.915
196 HE1 PHE 24 HE1 PHE 24 -7.757 -2.883 6.222
197 HE2 PHE 24 HE2 PHE 24 -8.392 0.913 8.060
198 HZ PHE 24 HZ PHE 24 -9.077 -1.431 7.718
199 H GLY 25 H GLY 25 -2.490 1.051 4.191
200 HA2 GLY 25 HA2 GLY 25 -1.769 -0.570 1.845
201 HA3 GLY 25 HA3 GLY 25 -0.863 0.860 2.317
202 H LYS 26 H LYS 26 -0.951 -2.404 2.464
203 HA LYS 26 HA LYS 26 0.396 -2.699 5.033
204 HB2 LYS 26 HB2 LYS 26 -1.340 -4.332 4.107
205 HB3 LYS 26 HB3 LYS 26 -0.116 -4.807 2.945
206 HG2 LYS 26 HG2 LYS 26 1.366 -5.408 4.849
207 HG3 LYS 26 HG3 LYS 26 0.006 -5.109 5.928
208 HD2 LYS 26 HD2 LYS 26 -0.039 -7.084 3.650
209 HD3 LYS 26 HD3 LYS 26 0.341 -7.509 5.315
210 HE2 LYS 26 HE2 LYS 26 -1.930 -8.047 5.046
211 HE3 LYS 26 HE3 LYS 26 -1.923 -6.522 5.923
212 HZ1 LYS 26 HZ1 LYS 26 -2.192 -6.601 2.976
213 HZ2 LYS 26 HZ2 LYS 26 -2.624 -5.361 4.049
214 HZ3 LYS 26 HZ3 LYS 26 -3.534 -6.780 3.995
215 H CYS 27 H CYS 27 2.524 -3.698 5.111
216 HA CYS 27 HA CYS 27 4.102 -3.045 2.721
217 HB2 CYS 27 HB2 CYS 27 4.512 -2.281 5.326
218 HB3 CYS 27 HB3 CYS 27 5.580 -3.674 5.180
219 H ILE 28 H ILE 28 4.456 -4.733 1.464
220 HA ILE 28 HA ILE 28 4.544 -7.410 2.623
221 HB ILE 28 HB ILE 28 3.409 -6.333 0.265
222 HG12 ILE 28 HG12 ILE 28 2.441 -8.527 0.013
223 HG13 ILE 28 HG13 ILE 28 3.678 -9.238 1.042
224 HG21 ILE 28 HG21 ILE 28 5.647 -8.242 -0.337
225 HG22 ILE 28 HG22 ILE 28 5.384 -6.627 -0.998
226 HG23 ILE 28 HG23 ILE 28 4.295 -7.944 -1.431
227 HD11 ILE 28 HD11 ILE 28 1.730 -7.166 1.993
228 HD12 ILE 28 HD12 ILE 28 2.795 -8.177 2.968
229 HD13 ILE 28 HD13 ILE 28 1.440 -8.899 2.102
230 H ASN 29 H ASN 29 6.189 -8.918 1.517
231 HA ASN 29 HA ASN 29 8.566 -8.408 2.647
232 HB2 ASN 29 HB2 ASN 29 9.534 -10.214 1.431
233 HB3 ASN 29 HB3 ASN 29 7.831 -10.583 1.665
234 HD21 ASN 29 HD21 ASN 29 6.436 -10.529 -0.099
235 HD22 ASN 29 HD22 ASN 29 7.020 -10.564 -1.726
236 H GLY 30 H GLY 30 7.822 -7.415 -0.671
237 HA2 GLY 30 HA2 GLY 30 10.166 -5.643 -0.451
238 HA3 GLY 30 HA3 GLY 30 9.884 -6.551 -1.926
239 H LYS 31 H LYS 31 6.860 -5.892 -1.029
240 HA LYS 31 HA LYS 31 6.856 -3.433 -2.662
241 HB2 LYS 31 HB2 LYS 31 5.193 -5.919 -3.054
242 HB3 LYS 31 HB3 LYS 31 4.780 -4.372 -3.778
243 HG2 LYS 31 HG2 LYS 31 6.849 -4.360 -5.024
244 HG3 LYS 31 HG3 LYS 31 7.360 -5.855 -4.238
245 HD2 LYS 31 HD2 LYS 31 5.506 -7.050 -5.242
246 HD3 LYS 31 HD3 LYS 31 4.904 -5.559 -5.963
247 HE2 LYS 31 HE2 LYS 31 7.583 -6.805 -6.556
248 HE3 LYS 31 HE3 LYS 31 6.143 -6.989 -7.556
249 HZ1 LYS 31 HZ1 LYS 31 7.504 -4.423 -6.941
250 HZ2 LYS 31 HZ2 LYS 31 6.129 -4.599 -7.908
251 HZ3 LYS 31 HZ3 LYS 31 7.600 -5.265 -8.403
252 H CYS 32 H CYS 32 4.744 -2.275 -2.594
253 HA CYS 32 HA CYS 32 3.600 -2.421 0.074
254 HB2 CYS 32 HB2 CYS 32 3.228 -0.443 -2.177
255 HB3 CYS 32 HB3 CYS 32 2.310 -0.384 -0.679
256 H ASP 33 H ASP 33 2.098 -3.849 0.383
257 HA ASP 33 HA ASP 33 0.151 -4.543 -1.651
258 HB2 ASP 33 HB2 ASP 33 0.891 -6.366 -0.281
259 HB3 ASP 33 HB3 ASP 33 0.636 -5.447 1.195
260 H CYS 34 H CYS 34 -2.199 -4.283 -1.154
261 HA CYS 34 HA CYS 34 -2.713 -2.050 0.670
262 HB2 CYS 34 HB2 CYS 34 -4.021 -2.299 -2.034
263 HB3 CYS 34 HB3 CYS 34 -4.092 -0.946 -0.919
264 H THR 35 H THR 35 -4.608 -2.244 1.813
265 HA THR 35 HA THR 35 -5.862 -4.856 1.649
266 HB THR 35 HB THR 35 -6.388 -2.618 3.591
267 HG1 THR 35 HG1 THR 35 -5.033 -4.125 4.957
268 HG21 THR 35 HG21 THR 35 -8.171 -4.302 3.428
269 HG22 THR 35 HG22 THR 35 -7.346 -4.366 4.993
270 HG23 THR 35 HG23 THR 35 -6.984 -5.571 3.759
271 HA PRO 36 HA PRO 36 -9.171 -2.895 -0.575
272 HB2 PRO 36 HB2 PRO 36 -10.510 -5.099 -1.206
273 HB3 PRO 36 HB3 PRO 36 -8.977 -4.723 -1.978
274 HG2 PRO 36 HG2 PRO 36 -9.569 -6.647 0.233
275 HG3 PRO 36 HG3 PRO 36 -8.485 -6.837 -1.159
276 HD2 PRO 36 HD2 PRO 36 -7.664 -6.134 1.379
277 HD3 PRO 36 HD3 PRO 36 -6.765 -5.772 -0.107
278 H LYS 37 H LYS 37 -11.641 -3.186 -0.462
279 HA LYS 37 HA LYS 37 -12.373 -2.988 2.345
280 HB2 LYS 37 HB2 LYS 37 -13.793 -2.178 -0.193
281 HB3 LYS 37 HB3 LYS 37 -14.569 -2.125 1.380
282 HG2 LYS 37 HG2 LYS 37 -13.834 0.060 0.976
283 HG3 LYS 37 HG3 LYS 37 -12.671 -0.614 2.115
284 HD2 LYS 37 HD2 LYS 37 -11.451 0.600 0.458
285 HD3 LYS 37 HD3 LYS 37 -11.182 -1.119 0.166
286 HE2 LYS 37 HE2 LYS 37 -11.569 0.081 -1.924
287 HE3 LYS 37 HE3 LYS 37 -12.851 -1.086 -1.615
288 HZ1 LYS 37 HZ1 LYS 37 -14.257 0.702 -0.829
289 HZ2 LYS 37 HZ2 LYS 37 -13.725 1.032 -2.396
290 HZ3 LYS 37 HZ3 LYS 37 -13.022 1.830 -1.078
Start of MODEL 19
1 H1 VAL 1 H1 VAL 1 -2.654 -7.367 -3.536
2 H2 VAL 1 H2 VAL 1 -2.466 -8.050 -5.077
3 H3 VAL 1 H3 VAL 1 -3.977 -8.073 -4.325
4 HA VAL 1 HA VAL 1 -3.732 -6.385 -6.106
5 HB VAL 1 HB VAL 1 -4.747 -4.539 -4.790
6 HG11 VAL 1 HG11 VAL 1 -6.697 -5.856 -4.027
7 HG12 VAL 1 HG12 VAL 1 -5.763 -7.329 -4.268
8 HG13 VAL 1 HG13 VAL 1 -6.155 -6.297 -5.643
9 HG21 VAL 1 HG21 VAL 1 -3.345 -4.965 -2.765
10 HG22 VAL 1 HG22 VAL 1 -4.377 -6.352 -2.418
11 HG23 VAL 1 HG23 VAL 1 -5.060 -4.726 -2.443
12 H GLY 2 H GLY 2 -1.042 -6.816 -5.544
13 HA2 GLY 2 HA2 GLY 2 0.321 -4.797 -4.205
14 HA3 GLY 2 HA3 GLY 2 0.997 -5.804 -5.472
15 H ILE 3 H ILE 3 1.179 -2.893 -4.722
16 HA ILE 3 HA ILE 3 0.460 -1.732 -7.326
17 HB ILE 3 HB ILE 3 0.813 0.474 -6.149
18 HG12 ILE 3 HG12 ILE 3 0.770 -1.272 -3.679
19 HG13 ILE 3 HG13 ILE 3 2.186 -0.432 -4.299
20 HG21 ILE 3 HG21 ILE 3 -1.361 0.401 -4.941
21 HG22 ILE 3 HG22 ILE 3 -1.354 -1.356 -5.120
22 HG23 ILE 3 HG23 ILE 3 -1.426 -0.326 -6.549
23 HD11 ILE 3 HD11 ILE 3 1.252 1.677 -3.804
24 HD12 ILE 3 HD12 ILE 3 1.032 0.667 -2.376
25 HD13 ILE 3 HD13 ILE 3 -0.327 0.977 -3.460
26 H ASN 4 H ASN 4 2.076 0.086 -7.911
27 HA ASN 4 HA ASN 4 4.656 -1.190 -8.131
28 HB2 ASN 4 HB2 ASN 4 5.203 0.831 -9.561
29 HB3 ASN 4 HB3 ASN 4 3.888 -0.187 -10.134
30 HD21 ASN 4 HD21 ASN 4 4.629 2.813 -8.440
31 HD22 ASN 4 HD22 ASN 4 3.155 3.621 -8.864
32 H VAL 5 H VAL 5 4.274 -0.595 -5.514
33 HA VAL 5 HA VAL 5 6.168 1.611 -5.049
34 HB VAL 5 HB VAL 5 3.861 0.855 -3.239
35 HG11 VAL 5 HG11 VAL 5 4.452 2.935 -2.047
36 HG12 VAL 5 HG12 VAL 5 5.877 3.089 -3.072
37 HG13 VAL 5 HG13 VAL 5 5.726 1.717 -1.975
38 HG21 VAL 5 HG21 VAL 5 2.855 2.968 -3.888
39 HG22 VAL 5 HG22 VAL 5 3.091 1.937 -5.300
40 HG23 VAL 5 HG23 VAL 5 4.189 3.283 -4.997
41 H LYS 6 H LYS 6 7.695 1.273 -3.437
42 HA LYS 6 HA LYS 6 8.235 -1.549 -2.935
43 HB2 LYS 6 HB2 LYS 6 9.927 0.020 -3.975
44 HB3 LYS 6 HB3 LYS 6 10.028 0.823 -2.416
45 HG2 LYS 6 HG2 LYS 6 10.839 -1.207 -1.385
46 HG3 LYS 6 HG3 LYS 6 10.664 -2.076 -2.912
47 HD2 LYS 6 HD2 LYS 6 12.280 -0.478 -3.930
48 HD3 LYS 6 HD3 LYS 6 12.525 0.226 -2.331
49 HE2 LYS 6 HE2 LYS 6 14.288 -1.364 -2.826
50 HE3 LYS 6 HE3 LYS 6 13.288 -1.955 -1.504
51 HZ1 LYS 6 HZ1 LYS 6 12.138 -3.397 -3.050
52 HZ2 LYS 6 HZ2 LYS 6 13.800 -3.699 -3.096
53 HZ3 LYS 6 HZ3 LYS 6 13.069 -2.813 -4.335
54 H CYS 7 H CYS 7 8.693 -2.372 -0.886
55 HA CYS 7 HA CYS 7 7.137 -1.193 1.217
56 HB2 CYS 7 HB2 CYS 7 7.139 -3.608 0.885
57 HB3 CYS 7 HB3 CYS 7 8.873 -3.670 1.165
58 H LYS 8 H LYS 8 8.459 0.801 1.378
59 HA LYS 8 HA LYS 8 10.949 0.478 2.838
60 HB2 LYS 8 HB2 LYS 8 9.484 3.008 2.071
61 HB3 LYS 8 HB3 LYS 8 11.126 2.901 2.695
62 HG2 LYS 8 HG2 LYS 8 11.831 1.708 0.702
63 HG3 LYS 8 HG3 LYS 8 10.181 1.740 0.081
64 HD2 LYS 8 HD2 LYS 8 11.384 3.480 -1.009
65 HD3 LYS 8 HD3 LYS 8 10.299 4.242 0.152
66 HE2 LYS 8 HE2 LYS 8 12.150 4.485 1.728
67 HE3 LYS 8 HE3 LYS 8 13.235 3.702 0.580
68 HZ1 LYS 8 HZ1 LYS 8 13.518 6.044 0.411
69 HZ2 LYS 8 HZ2 LYS 8 11.858 6.307 0.247
70 HZ3 LYS 8 HZ3 LYS 8 12.717 5.534 -0.989
71 H HIS 9 H HIS 9 7.730 1.903 3.318
72 HA HIS 9 HA HIS 9 7.930 1.392 6.193
73 HB2 HIS 9 HB2 HIS 9 7.019 4.092 5.172
74 HB3 HIS 9 HB3 HIS 9 7.305 3.616 6.839
75 HD1 HIS 9 HD1 HIS 9 9.086 4.605 3.701
76 HD2 HIS 9 HD2 HIS 9 9.964 3.806 7.688
77 HE1 HIS 9 HE1 HIS 9 11.486 5.248 4.006
78 HE2 HIS 9 HE2 HIS 9 11.943 4.939 6.465
79 H SER 10 H SER 10 6.005 0.788 7.050
80 HA SER 10 HA SER 10 3.879 0.098 5.327
81 HB2 SER 10 HB2 SER 10 2.704 -0.357 7.577
82 HB3 SER 10 HB3 SER 10 4.167 -1.275 7.213
83 HG SER 10 HG SER 10 5.122 -0.369 8.847
84 H GLY 11 H GLY 11 4.395 2.803 7.523
85 HA2 GLY 11 HA2 GLY 11 1.764 3.891 7.232
86 HA3 GLY 11 HA3 GLY 11 3.169 4.727 7.880
87 H GLN 12 H GLN 12 4.574 3.883 5.308
88 HA GLN 12 HA GLN 12 3.898 6.240 3.783
89 HB2 GLN 12 HB2 GLN 12 6.235 5.653 4.056
90 HB3 GLN 12 HB3 GLN 12 5.957 4.064 3.362
91 HG2 GLN 12 HG2 GLN 12 5.467 5.089 1.214
92 HG3 GLN 12 HG3 GLN 12 5.701 6.688 1.925
93 HE21 GLN 12 HE21 GLN 12 7.373 7.171 0.525
94 HE22 GLN 12 HE22 GLN 12 8.943 6.467 0.681
95 H CYS 13 H CYS 13 3.447 2.791 3.632
96 HA CYS 13 HA CYS 13 2.642 2.599 0.930
97 HB2 CYS 13 HB2 CYS 13 2.669 0.865 3.294
98 HB3 CYS 13 HB3 CYS 13 1.351 0.527 2.176
99 H LEU 14 H LEU 14 1.065 3.757 3.723
100 HA LEU 14 HA LEU 14 -1.628 3.290 3.097
101 HB2 LEU 14 HB2 LEU 14 -0.359 5.626 4.525
102 HB3 LEU 14 HB3 LEU 14 -2.063 5.242 4.547
103 HG LEU 14 HG LEU 14 0.166 3.585 5.724
104 HD11 LEU 14 HD11 LEU 14 -2.089 5.102 7.020
105 HD12 LEU 14 HD12 LEU 14 -0.386 5.558 7.028
106 HD13 LEU 14 HD13 LEU 14 -0.909 4.090 7.853
107 HD21 LEU 14 HD21 LEU 14 -1.490 2.089 4.856
108 HD22 LEU 14 HD22 LEU 14 -2.792 3.037 5.574
109 HD23 LEU 14 HD23 LEU 14 -1.661 2.162 6.610
110 H LYS 15 H LYS 15 0.497 5.973 2.359
111 HA LYS 15 HA LYS 15 -1.271 7.751 1.237
112 HB2 LYS 15 HB2 LYS 15 1.629 7.339 0.534
113 HB3 LYS 15 HB3 LYS 15 0.690 8.776 0.159
114 HG2 LYS 15 HG2 LYS 15 0.457 9.322 2.458
115 HG3 LYS 15 HG3 LYS 15 1.113 7.763 2.958
116 HD2 LYS 15 HD2 LYS 15 2.782 9.505 3.222
117 HD3 LYS 15 HD3 LYS 15 3.275 8.375 1.962
118 HE2 LYS 15 HE2 LYS 15 2.529 9.925 0.249
119 HE3 LYS 15 HE3 LYS 15 1.953 11.043 1.485
120 HZ1 LYS 15 HZ1 LYS 15 4.773 10.220 1.053
121 HZ2 LYS 15 HZ2 LYS 15 4.237 11.259 2.275
122 HZ3 LYS 15 HZ3 LYS 15 4.101 11.721 0.657
123 HA PRO 16 HA PRO 16 -0.518 6.183 -3.208
124 HB2 PRO 16 HB2 PRO 16 0.678 3.800 -3.651
125 HB3 PRO 16 HB3 PRO 16 1.582 5.311 -3.512
126 HG2 PRO 16 HG2 PRO 16 1.145 3.171 -1.469
127 HG3 PRO 16 HG3 PRO 16 2.623 4.076 -1.846
128 HD2 PRO 16 HD2 PRO 16 1.019 4.666 0.266
129 HD3 PRO 16 HD3 PRO 16 1.989 5.880 -0.586
130 H CYS 17 H CYS 17 -1.209 3.746 -0.761
131 HA CYS 17 HA CYS 17 -2.777 2.097 -2.450
132 HB2 CYS 17 HB2 CYS 17 -2.308 2.279 0.495
133 HB3 CYS 17 HB3 CYS 17 -3.552 1.225 -0.144
134 H LYS 18 H LYS 18 -3.552 4.742 -0.215
135 HA LYS 18 HA LYS 18 -6.362 4.411 -0.372
136 HB2 LYS 18 HB2 LYS 18 -6.507 6.639 0.561
137 HB3 LYS 18 HB3 LYS 18 -5.227 5.758 1.379
138 HG2 LYS 18 HG2 LYS 18 -3.552 6.908 0.111
139 HG3 LYS 18 HG3 LYS 18 -4.784 7.699 -0.872
140 HD2 LYS 18 HD2 LYS 18 -5.620 8.838 1.153
141 HD3 LYS 18 HD3 LYS 18 -4.336 8.072 2.092
142 HE2 LYS 18 HE2 LYS 18 -2.672 9.165 0.624
143 HE3 LYS 18 HE3 LYS 18 -3.987 9.995 -0.204
144 HZ1 LYS 18 HZ1 LYS 18 -3.285 10.268 2.666
145 HZ2 LYS 18 HZ2 LYS 18 -4.581 11.041 1.905
146 HZ3 LYS 18 HZ3 LYS 18 -2.993 11.412 1.456
147 H LYS 19 H LYS 19 -3.991 5.803 -2.456
148 HA LYS 19 HA LYS 19 -5.849 7.350 -4.035
149 HB2 LYS 19 HB2 LYS 19 -2.992 6.535 -4.627
150 HB3 LYS 19 HB3 LYS 19 -3.923 7.729 -5.519
151 HG2 LYS 19 HG2 LYS 19 -4.016 9.154 -3.555
152 HG3 LYS 19 HG3 LYS 19 -3.131 7.943 -2.622
153 HD2 LYS 19 HD2 LYS 19 -1.229 8.178 -4.173
154 HD3 LYS 19 HD3 LYS 19 -2.112 9.436 -5.040
155 HE2 LYS 19 HE2 LYS 19 -2.197 10.754 -2.944
156 HE3 LYS 19 HE3 LYS 19 -1.211 9.519 -2.163
157 HZ1 LYS 19 HZ1 LYS 19 0.551 9.970 -3.746
158 HZ2 LYS 19 HZ2 LYS 19 0.126 11.380 -2.916
159 HZ3 LYS 19 HZ3 LYS 19 -0.396 11.149 -4.507
160 H ALA 20 H ALA 20 -4.763 4.159 -3.812
161 HA ALA 20 HA ALA 20 -5.501 3.412 -6.526
162 HB1 ALA 20 HB1 ALA 20 -4.438 1.839 -4.175
163 HB2 ALA 20 HB2 ALA 20 -3.599 2.271 -5.668
164 HB3 ALA 20 HB3 ALA 20 -4.912 1.097 -5.706
165 H GLY 21 H GLY 21 -7.255 4.337 -4.075
166 HA2 GLY 21 HA2 GLY 21 -9.505 4.111 -3.638
167 HA3 GLY 21 HA3 GLY 21 -9.581 2.882 -4.892
168 H MET 22 H MET 22 -7.230 2.486 -2.420
169 HA MET 22 HA MET 22 -8.720 0.150 -1.505
170 HB2 MET 22 HB2 MET 22 -5.804 0.870 -1.292
171 HB3 MET 22 HB3 MET 22 -6.511 -0.550 -0.542
172 HG2 MET 22 HG2 MET 22 -6.431 0.058 -3.483
173 HG3 MET 22 HG3 MET 22 -5.460 -1.135 -2.625
174 HE1 MET 22 HE1 MET 22 -7.859 -3.391 -4.724
175 HE2 MET 22 HE2 MET 22 -6.182 -3.053 -4.294
176 HE3 MET 22 HE3 MET 22 -7.114 -1.868 -5.207
177 H ARG 23 H ARG 23 -8.042 -0.457 0.872
178 HA ARG 23 HA ARG 23 -9.231 1.658 2.447
179 HB2 ARG 23 HB2 ARG 23 -9.879 -0.762 2.616
180 HB3 ARG 23 HB3 ARG 23 -8.304 -1.084 3.314
181 HG2 ARG 23 HG2 ARG 23 -8.824 -0.093 5.299
182 HG3 ARG 23 HG3 ARG 23 -10.036 0.964 4.576
183 HD2 ARG 23 HD2 ARG 23 -10.814 -1.023 6.045
184 HD3 ARG 23 HD3 ARG 23 -11.650 -0.699 4.530
185 HE ARG 23 HE ARG 23 -10.121 -2.490 3.587
186 HH11 ARG 23 HH11 ARG 23 -11.096 -2.469 6.948
187 HH12 ARG 23 HH12 ARG 23 -11.079 -4.198 7.092
188 HH21 ARG 23 HH21 ARG 23 -10.115 -4.756 3.761
189 HH22 ARG 23 HH22 ARG 23 -10.505 -5.502 5.283
190 H PHE 24 H PHE 24 -6.438 -0.451 3.109
191 HA PHE 24 HA PHE 24 -4.861 1.946 3.767
192 HB2 PHE 24 HB2 PHE 24 -3.922 -0.371 5.234
193 HB3 PHE 24 HB3 PHE 24 -4.330 1.226 5.832
194 HD1 PHE 24 HD1 PHE 24 -5.632 -2.081 5.045
195 HD2 PHE 24 HD2 PHE 24 -6.364 1.600 7.008
196 HE1 PHE 24 HE1 PHE 24 -7.579 -3.073 6.124
197 HE2 PHE 24 HE2 PHE 24 -8.319 0.613 8.136
198 HZ PHE 24 HZ PHE 24 -8.930 -1.735 7.701
199 H GLY 25 H GLY 25 -2.436 1.019 4.056
200 HA2 GLY 25 HA2 GLY 25 -1.912 -0.709 1.731
201 HA3 GLY 25 HA3 GLY 25 -0.960 0.733 2.056
202 H LYS 26 H LYS 26 -0.990 -2.544 2.358
203 HA LYS 26 HA LYS 26 0.451 -2.614 4.890
204 HB2 LYS 26 HB2 LYS 26 -1.308 -4.358 4.127
205 HB3 LYS 26 HB3 LYS 26 -0.018 -4.969 3.103
206 HG2 LYS 26 HG2 LYS 26 1.377 -5.363 5.052
207 HG3 LYS 26 HG3 LYS 26 0.102 -4.735 6.094
208 HD2 LYS 26 HD2 LYS 26 -1.394 -6.527 5.280
209 HD3 LYS 26 HD3 LYS 26 -0.054 -7.179 4.335
210 HE2 LYS 26 HE2 LYS 26 -0.287 -8.401 6.419
211 HE3 LYS 26 HE3 LYS 26 1.229 -7.503 6.401
212 HZ1 LYS 26 HZ1 LYS 26 0.214 -5.812 7.785
213 HZ2 LYS 26 HZ2 LYS 26 0.087 -7.323 8.531
214 HZ3 LYS 26 HZ3 LYS 26 -1.260 -6.641 7.775
215 H CYS 27 H CYS 27 2.554 -3.286 5.069
216 HA CYS 27 HA CYS 27 4.170 -2.933 2.660
217 HB2 CYS 27 HB2 CYS 27 4.528 -1.900 5.126
218 HB3 CYS 27 HB3 CYS 27 5.448 -3.388 5.309
219 H ILE 28 H ILE 28 4.676 -4.727 1.555
220 HA ILE 28 HA ILE 28 4.534 -7.278 3.001
221 HB ILE 28 HB ILE 28 2.936 -6.510 0.980
222 HG12 ILE 28 HG12 ILE 28 2.442 -8.891 0.593
223 HG13 ILE 28 HG13 ILE 28 3.920 -9.330 1.439
224 HG21 ILE 28 HG21 ILE 28 5.192 -7.962 -0.379
225 HG22 ILE 28 HG22 ILE 28 4.681 -6.297 -0.661
226 HG23 ILE 28 HG23 ILE 28 3.612 -7.632 -1.090
227 HD11 ILE 28 HD11 ILE 28 1.626 -7.824 2.668
228 HD12 ILE 28 HD12 ILE 28 3.060 -8.429 3.496
229 HD13 ILE 28 HD13 ILE 28 1.893 -9.560 2.815
230 H ASN 29 H ASN 29 5.787 -9.038 1.554
231 HA ASN 29 HA ASN 29 8.465 -8.723 2.019
232 HB2 ASN 29 HB2 ASN 29 7.266 -10.419 -0.179
233 HB3 ASN 29 HB3 ASN 29 8.846 -10.642 0.563
234 HD21 ASN 29 HD21 ASN 29 5.445 -11.088 0.875
235 HD22 ASN 29 HD22 ASN 29 5.488 -12.047 2.314
236 H GLY 30 H GLY 30 9.123 -6.673 1.322
237 HA2 GLY 30 HA2 GLY 30 10.504 -5.462 -0.077
238 HA3 GLY 30 HA3 GLY 30 10.307 -6.703 -1.302
239 H LYS 31 H LYS 31 7.221 -6.131 -0.649
240 HA LYS 31 HA LYS 31 7.092 -4.031 -2.724
241 HB2 LYS 31 HB2 LYS 31 5.468 -6.575 -2.545
242 HB3 LYS 31 HB3 LYS 31 5.154 -5.272 -3.679
243 HG2 LYS 31 HG2 LYS 31 7.734 -6.811 -3.564
244 HG3 LYS 31 HG3 LYS 31 6.388 -7.208 -4.633
245 HD2 LYS 31 HD2 LYS 31 6.555 -4.966 -5.635
246 HD3 LYS 31 HD3 LYS 31 7.938 -4.619 -4.594
247 HE2 LYS 31 HE2 LYS 31 9.193 -6.424 -5.623
248 HE3 LYS 31 HE3 LYS 31 7.801 -6.851 -6.616
249 HZ1 LYS 31 HZ1 LYS 31 7.954 -4.731 -7.723
250 HZ2 LYS 31 HZ2 LYS 31 9.441 -5.527 -7.825
251 HZ3 LYS 31 HZ3 LYS 31 9.238 -4.256 -6.732
252 H CYS 32 H CYS 32 4.750 -3.189 -2.925
253 HA CYS 32 HA CYS 32 3.620 -2.920 -0.221
254 HB2 CYS 32 HB2 CYS 32 4.459 -0.833 -1.410
255 HB3 CYS 32 HB3 CYS 32 3.139 -1.054 -2.559
256 H ASP 33 H ASP 33 1.930 -4.238 0.056
257 HA ASP 33 HA ASP 33 0.007 -4.480 -2.165
258 HB2 ASP 33 HB2 ASP 33 1.045 -6.634 -1.612
259 HB3 ASP 33 HB3 ASP 33 0.503 -6.480 0.053
260 H CYS 34 H CYS 34 -1.821 -3.545 -1.852
261 HA CYS 34 HA CYS 34 -2.321 -2.184 0.629
262 HB2 CYS 34 HB2 CYS 34 -4.055 -2.276 -1.837
263 HB3 CYS 34 HB3 CYS 34 -4.065 -1.050 -0.574
264 H THR 35 H THR 35 -4.506 -2.199 1.659
265 HA THR 35 HA THR 35 -5.701 -4.878 1.552
266 HB THR 35 HB THR 35 -6.244 -2.711 3.559
267 HG1 THR 35 HG1 THR 35 -4.269 -4.766 3.583
268 HG21 THR 35 HG21 THR 35 -7.911 -4.475 3.453
269 HG22 THR 35 HG22 THR 35 -6.991 -4.588 4.958
270 HG23 THR 35 HG23 THR 35 -6.650 -5.698 3.630
271 HA PRO 36 HA PRO 36 -8.991 -2.647 -0.662
272 HB2 PRO 36 HB2 PRO 36 -10.372 -4.921 -1.277
273 HB3 PRO 36 HB3 PRO 36 -9.065 -4.274 -2.268
274 HG2 PRO 36 HG2 PRO 36 -9.015 -6.499 -0.275
275 HG3 PRO 36 HG3 PRO 36 -8.201 -6.381 -1.846
276 HD2 PRO 36 HD2 PRO 36 -6.914 -5.971 0.491
277 HD3 PRO 36 HD3 PRO 36 -6.475 -5.116 -0.997
278 H LYS 37 H LYS 37 -11.143 -2.248 -0.068
279 HA LYS 37 HA LYS 37 -11.837 -3.157 2.600
280 HB2 LYS 37 HB2 LYS 37 -13.580 -1.432 2.553
281 HB3 LYS 37 HB3 LYS 37 -12.002 -0.764 2.182
282 HG2 LYS 37 HG2 LYS 37 -12.606 -0.809 -0.221
283 HG3 LYS 37 HG3 LYS 37 -14.222 -1.345 0.236
284 HD2 LYS 37 HD2 LYS 37 -14.446 0.966 -0.006
285 HD3 LYS 37 HD3 LYS 37 -14.270 0.742 1.731
286 HE2 LYS 37 HE2 LYS 37 -12.890 2.576 1.134
287 HE3 LYS 37 HE3 LYS 37 -11.816 1.212 1.436
288 HZ1 LYS 37 HZ1 LYS 37 -11.617 0.859 -0.930
289 HZ2 LYS 37 HZ2 LYS 37 -11.220 2.465 -0.573
290 HZ3 LYS 37 HZ3 LYS 37 -12.725 2.096 -1.250
Start of MODEL 20
1 H1 VAL 1 H1 VAL 1 -3.506 -6.842 -6.469
2 H2 VAL 1 H2 VAL 1 -5.022 -7.369 -5.936
3 H3 VAL 1 H3 VAL 1 -3.675 -7.511 -4.926
4 HA VAL 1 HA VAL 1 -4.816 -4.962 -5.876
5 HB VAL 1 HB VAL 1 -5.472 -4.645 -3.470
6 HG11 VAL 1 HG11 VAL 1 -7.547 -5.874 -3.706
7 HG12 VAL 1 HG12 VAL 1 -6.828 -6.899 -4.944
8 HG13 VAL 1 HG13 VAL 1 -7.077 -5.182 -5.255
9 HG21 VAL 1 HG21 VAL 1 -4.025 -6.472 -2.617
10 HG22 VAL 1 HG22 VAL 1 -5.137 -7.637 -3.336
11 HG23 VAL 1 HG23 VAL 1 -5.692 -6.561 -2.051
12 H GLY 2 H GLY 2 -2.068 -5.757 -6.053
13 HA2 GLY 2 HA2 GLY 2 -0.810 -4.190 -3.908
14 HA3 GLY 2 HA3 GLY 2 0.028 -5.264 -5.023
15 H ILE 3 H ILE 3 0.988 -2.726 -4.606
16 HA ILE 3 HA ILE 3 0.232 -1.335 -7.089
17 HB ILE 3 HB ILE 3 0.917 0.787 -5.911
18 HG12 ILE 3 HG12 ILE 3 0.716 -1.003 -3.479
19 HG13 ILE 3 HG13 ILE 3 2.184 -0.244 -4.083
20 HG21 ILE 3 HG21 ILE 3 -1.226 0.982 -4.667
21 HG22 ILE 3 HG22 ILE 3 -1.465 -0.751 -4.892
22 HG23 ILE 3 HG23 ILE 3 -1.405 0.319 -6.292
23 HD11 ILE 3 HD11 ILE 3 1.342 1.926 -3.552
24 HD12 ILE 3 HD12 ILE 3 1.199 0.895 -2.132
25 HD13 ILE 3 HD13 ILE 3 -0.225 1.261 -3.105
26 H ASN 4 H ASN 4 2.030 0.385 -7.561
27 HA ASN 4 HA ASN 4 4.423 -1.185 -8.048
28 HB2 ASN 4 HB2 ASN 4 5.045 0.737 -9.524
29 HB3 ASN 4 HB3 ASN 4 3.512 -0.018 -9.940
30 HD21 ASN 4 HD21 ASN 4 5.012 2.778 -8.443
31 HD22 ASN 4 HD22 ASN 4 3.640 3.823 -8.598
32 H VAL 5 H VAL 5 4.085 -0.339 -5.342
33 HA VAL 5 HA VAL 5 6.216 1.679 -5.111
34 HB VAL 5 HB VAL 5 4.098 1.081 -3.044
35 HG11 VAL 5 HG11 VAL 5 4.829 3.200 -2.055
36 HG12 VAL 5 HG12 VAL 5 6.101 3.322 -3.273
37 HG13 VAL 5 HG13 VAL 5 6.128 2.005 -2.098
38 HG21 VAL 5 HG21 VAL 5 2.967 3.074 -3.711
39 HG22 VAL 5 HG22 VAL 5 3.156 2.044 -5.133
40 HG23 VAL 5 HG23 VAL 5 4.209 3.442 -4.907
41 H LYS 6 H LYS 6 8.002 1.157 -4.041
42 HA LYS 6 HA LYS 6 8.353 -1.574 -3.191
43 HB2 LYS 6 HB2 LYS 6 10.285 0.751 -3.078
44 HB3 LYS 6 HB3 LYS 6 10.691 -0.942 -2.847
45 HG2 LYS 6 HG2 LYS 6 10.087 -1.426 -5.150
46 HG3 LYS 6 HG3 LYS 6 9.602 0.251 -5.390
47 HD2 LYS 6 HD2 LYS 6 11.791 -0.029 -6.317
48 HD3 LYS 6 HD3 LYS 6 11.942 0.931 -4.847
49 HE2 LYS 6 HE2 LYS 6 13.712 -0.696 -4.908
50 HE3 LYS 6 HE3 LYS 6 12.584 -1.126 -3.623
51 HZ1 LYS 6 HZ1 LYS 6 12.665 -2.348 -6.330
52 HZ2 LYS 6 HZ2 LYS 6 11.598 -2.772 -5.090
53 HZ3 LYS 6 HZ3 LYS 6 13.252 -3.058 -4.912
54 H CYS 7 H CYS 7 8.176 -2.303 -1.206
55 HA CYS 7 HA CYS 7 7.258 -0.681 0.922
56 HB2 CYS 7 HB2 CYS 7 6.518 -2.909 0.947
57 HB3 CYS 7 HB3 CYS 7 8.140 -3.546 0.706
58 H LYS 8 H LYS 8 8.767 0.929 1.365
59 HA LYS 8 HA LYS 8 11.390 0.114 2.316
60 HB2 LYS 8 HB2 LYS 8 10.133 2.857 2.157
61 HB3 LYS 8 HB3 LYS 8 11.799 2.524 2.606
62 HG2 LYS 8 HG2 LYS 8 12.175 1.555 0.373
63 HG3 LYS 8 HG3 LYS 8 10.521 1.988 -0.065
64 HD2 LYS 8 HD2 LYS 8 11.950 3.698 -0.909
65 HD3 LYS 8 HD3 LYS 8 11.101 4.365 0.483
66 HE2 LYS 8 HE2 LYS 8 13.442 5.004 0.534
67 HE3 LYS 8 HE3 LYS 8 13.070 3.930 1.880
68 HZ1 LYS 8 HZ1 LYS 8 15.165 3.366 0.801
69 HZ2 LYS 8 HZ2 LYS 8 14.363 3.104 -0.662
70 HZ3 LYS 8 HZ3 LYS 8 14.050 2.102 0.667
71 H HIS 9 H HIS 9 8.358 1.403 3.535
72 HA HIS 9 HA HIS 9 9.163 0.793 6.272
73 HB2 HIS 9 HB2 HIS 9 7.969 3.487 5.588
74 HB3 HIS 9 HB3 HIS 9 8.612 2.963 7.136
75 HD1 HIS 9 HD1 HIS 9 9.527 4.607 4.000
76 HD2 HIS 9 HD2 HIS 9 11.513 2.827 7.190
77 HE1 HIS 9 HE1 HIS 9 11.921 5.289 3.760
78 HE2 HIS 9 HE2 HIS 9 13.132 4.115 5.629
79 H SER 10 H SER 10 7.447 0.030 7.447
80 HA SER 10 HA SER 10 5.007 -0.469 6.074
81 HB2 SER 10 HB2 SER 10 4.276 -1.420 8.281
82 HB3 SER 10 HB3 SER 10 5.781 -2.091 7.655
83 HG SER 10 HG SER 10 5.425 -0.202 9.737
84 H GLY 11 H GLY 11 3.953 1.309 5.526
85 HA2 GLY 11 HA2 GLY 11 2.144 2.730 6.740
86 HA3 GLY 11 HA3 GLY 11 3.568 3.449 7.487
87 H GLN 12 H GLN 12 5.140 2.994 5.043
88 HA GLN 12 HA GLN 12 4.694 5.445 3.701
89 HB2 GLN 12 HB2 GLN 12 6.900 4.278 3.868
90 HB3 GLN 12 HB3 GLN 12 6.297 3.053 2.769
91 HG2 GLN 12 HG2 GLN 12 5.965 4.818 1.074
92 HG3 GLN 12 HG3 GLN 12 6.765 5.953 2.161
93 HE21 GLN 12 HE21 GLN 12 7.146 3.240 0.044
94 HE22 GLN 12 HE22 GLN 12 8.873 3.254 -0.008
95 H CYS 13 H CYS 13 3.476 2.259 3.298
96 HA CYS 13 HA CYS 13 2.751 2.585 0.523
97 HB2 CYS 13 HB2 CYS 13 1.972 0.377 2.433
98 HB3 CYS 13 HB3 CYS 13 1.921 0.324 0.674
99 H LEU 14 H LEU 14 1.407 3.577 3.427
100 HA LEU 14 HA LEU 14 -1.319 2.967 3.114
101 HB2 LEU 14 HB2 LEU 14 0.020 5.270 4.525
102 HB3 LEU 14 HB3 LEU 14 -1.691 4.914 4.643
103 HG LEU 14 HG LEU 14 0.532 3.077 5.540
104 HD11 LEU 14 HD11 LEU 14 -1.361 4.802 7.124
105 HD12 LEU 14 HD12 LEU 14 0.377 5.046 6.948
106 HD13 LEU 14 HD13 LEU 14 -0.233 3.627 7.800
107 HD21 LEU 14 HD21 LEU 14 -1.393 1.807 4.861
108 HD22 LEU 14 HD22 LEU 14 -2.464 2.865 5.781
109 HD23 LEU 14 HD23 LEU 14 -1.311 1.830 6.622
110 H LYS 15 H LYS 15 0.448 5.937 2.317
111 HA LYS 15 HA LYS 15 -1.728 7.367 1.321
112 HB2 LYS 15 HB2 LYS 15 1.197 7.648 0.660
113 HB3 LYS 15 HB3 LYS 15 -0.038 8.829 0.247
114 HG2 LYS 15 HG2 LYS 15 -0.529 9.122 2.641
115 HG3 LYS 15 HG3 LYS 15 0.765 7.988 3.025
116 HD2 LYS 15 HD2 LYS 15 1.116 10.589 1.533
117 HD3 LYS 15 HD3 LYS 15 1.472 10.342 3.243
118 HE2 LYS 15 HE2 LYS 15 3.111 8.599 2.598
119 HE3 LYS 15 HE3 LYS 15 2.799 8.975 0.906
120 HZ1 LYS 15 HZ1 LYS 15 3.576 11.226 1.305
121 HZ2 LYS 15 HZ2 LYS 15 4.770 10.102 1.704
122 HZ3 LYS 15 HZ3 LYS 15 3.881 10.860 2.927
123 HA PRO 16 HA PRO 16 -0.490 6.112 -3.166
124 HB2 PRO 16 HB2 PRO 16 0.885 3.748 -3.422
125 HB3 PRO 16 HB3 PRO 16 1.621 5.350 -3.488
126 HG2 PRO 16 HG2 PRO 16 1.526 3.399 -1.239
127 HG3 PRO 16 HG3 PRO 16 2.824 4.504 -1.717
128 HD2 PRO 16 HD2 PRO 16 1.176 4.993 0.381
129 HD3 PRO 16 HD3 PRO 16 1.900 6.282 -0.601
130 H CYS 17 H CYS 17 -1.235 3.744 -0.680
131 HA CYS 17 HA CYS 17 -2.713 2.036 -2.444
132 HB2 CYS 17 HB2 CYS 17 -2.256 2.160 0.506
133 HB3 CYS 17 HB3 CYS 17 -3.518 1.136 -0.144
134 H LYS 18 H LYS 18 -3.534 4.605 -0.129
135 HA LYS 18 HA LYS 18 -6.347 4.232 -0.382
136 HB2 LYS 18 HB2 LYS 18 -6.554 6.349 0.771
137 HB3 LYS 18 HB3 LYS 18 -5.299 5.392 1.539
138 HG2 LYS 18 HG2 LYS 18 -3.642 6.690 0.152
139 HG3 LYS 18 HG3 LYS 18 -4.976 7.765 -0.267
140 HD2 LYS 18 HD2 LYS 18 -4.181 7.145 2.570
141 HD3 LYS 18 HD3 LYS 18 -3.555 8.522 1.664
142 HE2 LYS 18 HE2 LYS 18 -6.479 7.998 2.180
143 HE3 LYS 18 HE3 LYS 18 -5.472 9.082 3.138
144 HZ1 LYS 18 HZ1 LYS 18 -6.088 9.365 0.245
145 HZ2 LYS 18 HZ2 LYS 18 -5.061 10.381 1.123
146 HZ3 LYS 18 HZ3 LYS 18 -6.708 10.316 1.500
147 H LYS 19 H LYS 19 -3.923 5.890 -2.219
148 HA LYS 19 HA LYS 19 -5.857 7.372 -3.800
149 HB2 LYS 19 HB2 LYS 19 -2.890 6.988 -4.249
150 HB3 LYS 19 HB3 LYS 19 -3.924 8.117 -5.108
151 HG2 LYS 19 HG2 LYS 19 -4.378 9.203 -2.880
152 HG3 LYS 19 HG3 LYS 19 -3.089 8.196 -2.226
153 HD2 LYS 19 HD2 LYS 19 -2.826 10.223 -4.450
154 HD3 LYS 19 HD3 LYS 19 -2.252 10.412 -2.795
155 HE2 LYS 19 HE2 LYS 19 -0.319 9.801 -3.889
156 HE3 LYS 19 HE3 LYS 19 -0.900 8.242 -3.313
157 HZ1 LYS 19 HZ1 LYS 19 -1.775 7.759 -5.478
158 HZ2 LYS 19 HZ2 LYS 19 -0.160 8.220 -5.650
159 HZ3 LYS 19 HZ3 LYS 19 -1.391 9.306 -6.040
160 H ALA 20 H ALA 20 -4.786 4.288 -3.581
161 HA ALA 20 HA ALA 20 -5.056 3.640 -6.415
162 HB1 ALA 20 HB1 ALA 20 -4.397 1.946 -4.003
163 HB2 ALA 20 HB2 ALA 20 -3.280 2.508 -5.251
164 HB3 ALA 20 HB3 ALA 20 -4.526 1.324 -5.652
165 H GLY 21 H GLY 21 -7.096 4.297 -3.976
166 HA2 GLY 21 HA2 GLY 21 -9.393 4.018 -3.870
167 HA3 GLY 21 HA3 GLY 21 -9.288 2.890 -5.215
168 H MET 22 H MET 22 -7.185 2.347 -2.562
169 HA MET 22 HA MET 22 -8.790 0.005 -1.829
170 HB2 MET 22 HB2 MET 22 -5.860 0.573 -1.335
171 HB3 MET 22 HB3 MET 22 -6.704 -0.895 -0.878
172 HG2 MET 22 HG2 MET 22 -6.344 0.093 -3.693
173 HG3 MET 22 HG3 MET 22 -5.395 -1.171 -2.916
174 HE1 MET 22 HE1 MET 22 -5.971 -2.714 -5.024
175 HE2 MET 22 HE2 MET 22 -6.972 -1.433 -5.707
176 HE3 MET 22 HE3 MET 22 -7.617 -3.066 -5.549
177 H ARG 23 H ARG 23 -7.959 -0.633 0.618
178 HA ARG 23 HA ARG 23 -9.228 1.456 2.184
179 HB2 ARG 23 HB2 ARG 23 -9.755 -1.027 2.361
180 HB3 ARG 23 HB3 ARG 23 -8.214 -1.204 3.175
181 HG2 ARG 23 HG2 ARG 23 -8.934 -0.184 5.066
182 HG3 ARG 23 HG3 ARG 23 -10.094 0.831 4.210
183 HD2 ARG 23 HD2 ARG 23 -11.128 -0.935 5.638
184 HD3 ARG 23 HD3 ARG 23 -11.608 -0.996 3.947
185 HE ARG 23 HE ARG 23 -9.526 -2.727 4.086
186 HH11 ARG 23 HH11 ARG 23 -12.503 -2.365 5.872
187 HH12 ARG 23 HH12 ARG 23 -12.664 -4.062 6.199
188 HH21 ARG 23 HH21 ARG 23 -9.741 -4.974 4.504
189 HH22 ARG 23 HH22 ARG 23 -11.097 -5.547 5.421
190 H PHE 24 H PHE 24 -6.416 -0.586 3.002
191 HA PHE 24 HA PHE 24 -4.919 1.869 3.622
192 HB2 PHE 24 HB2 PHE 24 -4.004 -0.417 5.167
193 HB3 PHE 24 HB3 PHE 24 -4.408 1.204 5.711
194 HD1 PHE 24 HD1 PHE 24 -5.692 -2.143 5.043
195 HD2 PHE 24 HD2 PHE 24 -6.512 1.654 6.754
196 HE1 PHE 24 HE1 PHE 24 -7.669 -3.074 6.123
197 HE2 PHE 24 HE2 PHE 24 -8.504 0.724 7.865
198 HZ PHE 24 HZ PHE 24 -9.084 -1.650 7.559
199 H GLY 25 H GLY 25 -2.495 1.071 3.989
200 HA2 GLY 25 HA2 GLY 25 -1.800 -0.791 1.823
201 HA3 GLY 25 HA3 GLY 25 -1.012 0.776 1.952
202 H LYS 26 H LYS 26 -0.969 -2.454 2.901
203 HA LYS 26 HA LYS 26 0.670 -1.991 5.268
204 HB2 LYS 26 HB2 LYS 26 -1.164 -3.751 5.179
205 HB3 LYS 26 HB3 LYS 26 -0.136 -4.635 4.059
206 HG2 LYS 26 HG2 LYS 26 1.602 -4.787 5.760
207 HG3 LYS 26 HG3 LYS 26 0.570 -3.907 6.890
208 HD2 LYS 26 HD2 LYS 26 -1.091 -5.697 6.768
209 HD3 LYS 26 HD3 LYS 26 -0.071 -6.570 5.621
210 HE2 LYS 26 HE2 LYS 26 0.662 -5.868 8.461
211 HE3 LYS 26 HE3 LYS 26 0.167 -7.460 7.887
212 HZ1 LYS 26 HZ1 LYS 26 2.580 -7.246 8.088
213 HZ2 LYS 26 HZ2 LYS 26 2.578 -5.991 6.956
214 HZ3 LYS 26 HZ3 LYS 26 2.114 -7.550 6.492
215 H CYS 27 H CYS 27 2.752 -3.101 5.456
216 HA CYS 27 HA CYS 27 4.179 -2.982 2.920
217 HB2 CYS 27 HB2 CYS 27 4.833 -2.263 5.554
218 HB3 CYS 27 HB3 CYS 27 5.851 -3.643 5.169
219 H ILE 28 H ILE 28 4.355 -4.756 1.780
220 HA ILE 28 HA ILE 28 4.359 -7.350 3.119
221 HB ILE 28 HB ILE 28 3.157 -6.350 0.727
222 HG12 ILE 28 HG12 ILE 28 2.045 -8.540 0.730
223 HG13 ILE 28 HG13 ILE 28 3.186 -9.117 1.940
224 HG21 ILE 28 HG21 ILE 28 5.123 -8.561 0.235
225 HG22 ILE 28 HG22 ILE 28 5.064 -6.986 -0.546
226 HG23 ILE 28 HG23 ILE 28 3.787 -8.167 -0.846
227 HD11 ILE 28 HD11 ILE 28 2.346 -7.274 3.427
228 HD12 ILE 28 HD12 ILE 28 1.196 -8.559 3.072
229 HD13 ILE 28 HD13 ILE 28 1.070 -7.010 2.244
230 H ASN 29 H ASN 29 5.918 -8.958 2.169
231 HA ASN 29 HA ASN 29 8.526 -8.040 2.509
232 HB2 ASN 29 HB2 ASN 29 7.651 -10.575 1.113
233 HB3 ASN 29 HB3 ASN 29 9.239 -10.265 1.808
234 HD21 ASN 29 HD21 ASN 29 5.945 -11.073 2.436
235 HD22 ASN 29 HD22 ASN 29 6.133 -11.425 4.119
236 H GLY 30 H GLY 30 8.827 -6.288 1.160
237 HA2 GLY 30 HA2 GLY 30 10.250 -5.711 -0.683
238 HA3 GLY 30 HA3 GLY 30 9.534 -7.030 -1.593
239 H LYS 31 H LYS 31 6.766 -6.173 -0.641
240 HA LYS 31 HA LYS 31 6.537 -4.075 -2.708
241 HB2 LYS 31 HB2 LYS 31 4.727 -6.470 -2.370
242 HB3 LYS 31 HB3 LYS 31 4.520 -5.188 -3.549
243 HG2 LYS 31 HG2 LYS 31 6.618 -5.829 -4.623
244 HG3 LYS 31 HG3 LYS 31 6.832 -7.116 -3.433
245 HD2 LYS 31 HD2 LYS 31 4.475 -6.893 -5.305
246 HD3 LYS 31 HD3 LYS 31 5.895 -7.896 -5.604
247 HE2 LYS 31 HE2 LYS 31 5.430 -9.219 -3.643
248 HE3 LYS 31 HE3 LYS 31 4.098 -8.155 -3.196
249 HZ1 LYS 31 HZ1 LYS 31 2.863 -8.863 -5.084
250 HZ2 LYS 31 HZ2 LYS 31 3.412 -10.256 -4.298
251 HZ3 LYS 31 HZ3 LYS 31 4.173 -9.727 -5.711
252 H CYS 32 H CYS 32 4.972 -2.529 -2.439
253 HA CYS 32 HA CYS 32 3.582 -2.367 0.083
254 HB2 CYS 32 HB2 CYS 32 3.678 -0.676 -2.401
255 HB3 CYS 32 HB3 CYS 32 2.493 -0.341 -1.147
256 H ASP 33 H ASP 33 2.048 -3.839 0.373
257 HA ASP 33 HA ASP 33 0.205 -4.424 -1.833
258 HB2 ASP 33 HB2 ASP 33 1.358 -6.342 -0.825
259 HB3 ASP 33 HB3 ASP 33 0.702 -5.921 0.751
260 H CYS 34 H CYS 34 -1.882 -3.855 -1.703
261 HA CYS 34 HA CYS 34 -2.575 -2.141 0.571
262 HB2 CYS 34 HB2 CYS 34 -3.977 -2.362 -2.089
263 HB3 CYS 34 HB3 CYS 34 -4.169 -1.093 -0.887
264 H THR 35 H THR 35 -4.470 -2.383 1.744
265 HA THR 35 HA THR 35 -5.704 -5.008 1.613
266 HB THR 35 HB THR 35 -6.462 -2.704 3.407
267 HG1 THR 35 HG1 THR 35 -4.200 -4.253 3.404
268 HG21 THR 35 HG21 THR 35 -8.075 -4.511 3.352
269 HG22 THR 35 HG22 THR 35 -7.228 -4.509 4.901
270 HG23 THR 35 HG23 THR 35 -6.800 -5.691 3.664
271 HA PRO 36 HA PRO 36 -8.967 -3.304 -0.956
272 HB2 PRO 36 HB2 PRO 36 -10.365 -5.822 -0.632
273 HB3 PRO 36 HB3 PRO 36 -9.613 -5.147 -2.076
274 HG2 PRO 36 HG2 PRO 36 -8.660 -7.339 -0.747
275 HG3 PRO 36 HG3 PRO 36 -7.657 -6.266 -1.733
276 HD2 PRO 36 HD2 PRO 36 -7.941 -6.401 1.232
277 HD3 PRO 36 HD3 PRO 36 -6.506 -6.056 0.245
278 H LYS 37 H LYS 37 -10.879 -2.342 -0.491
279 HA LYS 37 HA LYS 37 -11.861 -2.613 2.232
280 HB2 LYS 37 HB2 LYS 37 -13.263 -0.606 1.632
281 HB3 LYS 37 HB3 LYS 37 -11.527 -0.351 1.595
282 HG2 LYS 37 HG2 LYS 37 -11.553 -0.566 -0.845
283 HG3 LYS 37 HG3 LYS 37 -13.302 -0.799 -0.796
284 HD2 LYS 37 HD2 LYS 37 -13.541 1.424 0.244
285 HD3 LYS 37 HD3 LYS 37 -11.796 1.652 0.114
286 HE2 LYS 37 HE2 LYS 37 -11.954 1.451 -2.319
287 HE3 LYS 37 HE3 LYS 37 -13.696 1.221 -2.184
288 HZ1 LYS 37 HZ1 LYS 37 -13.160 3.491 -2.758
289 HZ2 LYS 37 HZ2 LYS 37 -12.203 3.651 -1.376
290 HZ3 LYS 37 HZ3 LYS 37 -13.871 3.433 -1.225