Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614394 | 5mgq RC | 34069 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 11.588 6.758 9.951
2 H2 LYS 1 HT2 LYS 1 12.183 5.271 9.474
3 H3 LYS 1 HT3 LYS 1 10.735 5.332 10.328
4 HA LYS 1 HA LYS 1 10.380 4.913 7.994
5 HB2 LYS 1 HB2 LYS 1 9.651 7.768 8.723
6 HB3 LYS 1 HB1 LYS 1 8.941 6.843 7.420
7 HG2 LYS 1 HG2 LYS 1 7.994 5.283 9.068
8 HG3 LYS 1 HG1 LYS 1 8.686 6.264 10.362
9 HD2 LYS 1 HD2 LYS 1 7.388 8.194 9.614
10 HD3 LYS 1 HD1 LYS 1 6.716 7.240 8.295
11 HE2 LYS 1 HE2 LYS 1 5.670 5.736 9.931
12 HE3 LYS 1 HE1 LYS 1 6.339 6.709 11.238
13 HZ1 LYS 1 HZ1 LYS 1 4.482 7.753 9.178
14 HZ2 LYS 1 HZ2 LYS 1 5.004 8.564 10.562
15 HZ3 LYS 1 HZ3 LYS 1 3.997 7.228 10.693
16 H CYS 2 HN CYS 2 10.494 5.896 5.792
17 HA CYS 2 HA CYS 2 12.496 7.928 5.458
18 HB2 CYS 2 HB2 CYS 2 13.535 6.506 3.617
19 HB3 CYS 2 HB1 CYS 2 13.931 6.059 5.282
20 H ASN 3 HN ASN 3 12.543 8.681 3.153
21 HA ASN 3 HA ASN 3 10.042 8.226 1.730
22 HB2 ASN 3 HB2 ASN 3 9.585 9.966 3.481
23 HB3 ASN 3 HB1 ASN 3 10.833 10.970 2.772
24 HD21 ASN 3 HD21 ASN 3 10.321 12.193 1.016
25 HD22 ASN 3 HD22 ASN 3 8.755 12.277 0.301
26 H THR 4 HN THR 4 13.053 7.992 1.370
27 HA THR 4 HA THR 4 13.379 9.794 -0.908
28 HB THR 4 HB THR 4 15.289 9.761 0.665
29 HG1 THR 4 HG1 THR 4 16.305 10.104 -1.117
30 HG21 THR 4 HG21 THR 4 16.673 7.764 0.954
31 HG22 THR 4 HG22 THR 4 15.548 6.839 -0.044
32 HG23 THR 4 HG23 THR 4 15.027 7.460 1.518
33 H ALA 5 HN ALA 5 14.360 8.833 -2.838
34 HA ALA 5 HA ALA 5 12.674 6.816 -3.882
35 HB1 ALA 5 HB1 ALA 5 13.984 7.030 -5.927
36 HB2 ALA 5 HB2 ALA 5 15.219 7.936 -5.050
37 HB3 ALA 5 HB3 ALA 5 13.606 8.617 -5.257
38 H THR 6 HN THR 6 15.641 6.698 -2.271
39 HA THR 6 HA THR 6 16.397 4.091 -3.244
40 HB THR 6 HB THR 6 17.444 5.788 -0.977
41 HG1 THR 6 HG1 THR 6 18.375 5.470 -3.644
42 HG21 THR 6 HG21 THR 6 18.076 3.480 -0.738
43 HG22 THR 6 HG22 THR 6 19.489 4.434 -1.208
44 HG23 THR 6 HG23 THR 6 18.661 3.414 -2.401
45 H CYS 7 HN CYS 7 14.122 5.179 -0.964
46 HA CYS 7 HA CYS 7 14.509 2.753 0.667
47 HB2 CYS 7 HB2 CYS 7 15.343 4.968 1.530
48 HB3 CYS 7 HB1 CYS 7 13.699 5.350 1.756
49 H ALA 8 HN ALA 8 12.278 5.380 -0.247
50 HA ALA 8 HA ALA 8 10.028 4.277 0.966
51 HB1 ALA 8 HB1 ALA 8 10.227 6.085 -1.446
52 HB2 ALA 8 HB2 ALA 8 10.132 6.597 0.241
53 HB3 ALA 8 HB3 ALA 8 8.761 5.778 -0.512
54 H THR 9 HN THR 9 11.753 3.674 -1.891
55 HA THR 9 HA THR 9 9.773 2.253 -3.371
56 HB THR 9 HB THR 9 11.843 1.327 -4.525
57 HG1 THR 9 HG1 THR 9 13.554 3.145 -3.847
58 HG21 THR 9 HG21 THR 9 10.506 3.223 -5.368
59 HG22 THR 9 HG22 THR 9 12.232 3.472 -5.658
60 HG23 THR 9 HG23 THR 9 11.434 4.313 -4.330
61 H GLN 10 HN GLN 10 12.003 1.468 -0.965
62 HA GLN 10 HA GLN 10 11.836 -1.394 -1.151
63 HB2 GLN 10 HB2 GLN 10 12.670 0.207 1.271
64 HB3 GLN 10 HB1 GLN 10 13.103 -1.469 0.919
65 HG2 GLN 10 HG2 GLN 10 14.084 1.067 -0.344
66 HG3 GLN 10 HG1 GLN 10 15.013 -0.122 0.557
67 HE21 GLN 10 HE21 GLN 10 15.412 1.016 -1.986
68 HE22 GLN 10 HE22 GLN 10 15.505 -0.270 -3.147
69 H ARG 11 HN ARG 11 10.399 1.171 0.658
70 HA ARG 11 HA ARG 11 8.715 -0.394 2.395
71 HB2 ARG 11 HB2 ARG 11 7.996 2.345 1.341
72 HB3 ARG 11 HB1 ARG 11 7.542 1.622 2.872
73 HG2 ARG 11 HG2 ARG 11 10.297 2.586 2.112
74 HG3 ARG 11 HG1 ARG 11 9.169 3.411 3.187
75 HD2 ARG 11 HD2 ARG 11 10.421 0.711 3.641
76 HD3 ARG 11 HD1 ARG 11 10.931 2.225 4.387
77 HE ARG 11 HE ARG 11 8.254 1.933 4.939
78 HH11 ARG 11 HH11 ARG 11 11.275 0.264 5.704
79 HH12 ARG 11 HH12 ARG 11 10.711 -0.388 7.170
80 HH21 ARG 11 HH21 ARG 11 7.493 1.071 6.981
81 HH22 ARG 11 HH22 ARG 11 8.509 0.065 7.908
82 H LEU 12 HN LEU 12 8.334 1.010 -0.784
83 HA LEU 12 HA LEU 12 5.749 0.198 -1.372
84 HB2 LEU 12 HB2 LEU 12 8.227 0.690 -2.879
85 HB3 LEU 12 HB1 LEU 12 6.883 0.180 -3.781
86 HG LEU 12 HG LEU 12 7.156 2.747 -2.191
87 HD11 LEU 12 HD11 LEU 12 6.692 2.243 -5.124
88 HD12 LEU 12 HD12 LEU 12 8.219 2.747 -4.407
89 HD13 LEU 12 HD13 LEU 12 6.823 3.819 -4.357
90 HD21 LEU 12 HD21 LEU 12 4.880 1.941 -1.882
91 HD22 LEU 12 HD22 LEU 12 4.724 1.682 -3.615
92 HD23 LEU 12 HD23 LEU 12 4.893 3.319 -2.982
93 H ALA 13 HN ALA 13 8.863 -1.408 -1.673
94 HA ALA 13 HA ALA 13 7.950 -3.645 -3.019
95 HB1 ALA 13 HB1 ALA 13 10.320 -3.067 -2.903
96 HB2 ALA 13 HB2 ALA 13 10.055 -4.726 -2.366
97 HB3 ALA 13 HB3 ALA 13 10.336 -3.448 -1.182
98 H ASN 14 HN ASN 14 8.079 -2.809 0.343
99 HA ASN 14 HA ASN 14 7.348 -5.443 1.319
100 HB2 ASN 14 HB2 ASN 14 7.420 -2.783 2.715
101 HB3 ASN 14 HB1 ASN 14 6.958 -4.310 3.469
102 HD21 ASN 14 HD21 ASN 14 9.512 -4.194 1.147
103 HD22 ASN 14 HD22 ASN 14 10.824 -4.388 2.245
104 H PHE 15 HN PHE 15 5.630 -2.969 -0.160
105 HA PHE 15 HA PHE 15 3.257 -3.351 1.422
106 HB2 PHE 15 HB2 PHE 15 3.083 -1.175 0.833
107 HB3 PHE 15 HB1 PHE 15 4.381 -1.354 -0.341
108 HD1 PHE 15 HD1 PHE 15 3.883 -1.600 -2.674
109 HD2 PHE 15 HD2 PHE 15 0.729 -1.463 0.179
110 HE1 PHE 15 HE1 PHE 15 2.299 -1.309 -4.473
111 HE2 PHE 15 HE2 PHE 15 -0.897 -1.160 -1.642
112 HZ PHE 15 HZ PHE 15 -0.121 -1.081 -3.979
113 H LEU 16 HN LEU 16 4.836 -4.366 -1.425
114 HA LEU 16 HA LEU 16 2.417 -5.723 -2.262
115 HB2 LEU 16 HB2 LEU 16 2.583 -4.750 -4.174
116 HB3 LEU 16 HB1 LEU 16 3.713 -3.736 -3.443
117 HG LEU 16 HG LEU 16 4.713 -6.155 -4.929
118 HD11 LEU 16 HD11 LEU 16 3.423 -4.780 -6.463
119 HD12 LEU 16 HD12 LEU 16 5.154 -4.590 -6.776
120 HD13 LEU 16 HD13 LEU 16 4.267 -3.340 -5.899
121 HD21 LEU 16 HD21 LEU 16 6.231 -5.085 -3.333
122 HD22 LEU 16 HD22 LEU 16 5.931 -3.537 -4.128
123 HD23 LEU 16 HD23 LEU 16 6.758 -4.835 -5.004
124 H VAL 17 HN VAL 17 4.930 -6.399 -0.670
125 HA VAL 17 HA VAL 17 6.307 -8.447 -2.068
126 HB VAL 17 HB VAL 17 7.252 -7.157 -0.196
127 HG11 VAL 17 HG11 VAL 17 6.658 -7.748 2.148
128 HG12 VAL 17 HG12 VAL 17 5.233 -8.589 1.478
129 HG13 VAL 17 HG13 VAL 17 5.426 -6.874 1.236
130 HG21 VAL 17 HG21 VAL 17 7.154 -10.115 0.301
131 HG22 VAL 17 HG22 VAL 17 8.265 -8.964 1.060
132 HG23 VAL 17 HG23 VAL 17 8.327 -9.217 -0.689
133 H HIS 18 HN HIS 18 3.648 -8.331 0.100
134 HA HIS 18 HA HIS 18 2.781 -11.014 -0.611
135 HB2 HIS 18 HB2 HIS 18 3.156 -10.142 2.274
136 HB3 HIS 18 HB1 HIS 18 2.206 -11.538 1.795
137 HD1 HIS 18 HD1 HIS 18 3.477 -13.684 1.245
138 HD2 HIS 18 HD2 HIS 18 5.939 -10.439 2.005
139 HE1 HIS 18 HE1 HIS 18 5.784 -14.643 1.516
140 HE2 HIS 18 HE2 HIS 18 7.265 -12.620 1.645
141 H SER 19 HN SER 19 2.250 -8.051 1.145
142 HA SER 19 HA SER 19 0.651 -6.484 0.964
143 HB2 SER 19 HB2 SER 19 -0.332 -8.308 -1.156
144 HB3 SER 19 HB1 SER 19 -1.007 -6.684 -0.772
145 HG SER 19 HG SER 19 1.128 -5.933 -1.148
146 H SER 20 HN SER 20 0.418 -9.029 2.400
147 HA SER 20 HA SER 20 -2.238 -9.847 2.720
148 HB2 SER 20 HB2 SER 20 0.007 -10.095 4.701
149 HB3 SER 20 HB1 SER 20 -1.434 -11.113 4.581
150 HG SER 20 HG SER 20 -0.714 -11.535 2.375
151 H ASN 21 HN ASN 21 -0.944 -6.967 3.704
152 HA ASN 21 HA ASN 21 -2.959 -6.681 5.795
153 HB2 ASN 21 HB2 ASN 21 -0.148 -5.830 5.608
154 HB3 ASN 21 HB1 ASN 21 -1.245 -4.880 6.645
155 HD21 ASN 21 HD21 ASN 21 0.692 -7.702 6.256
156 HD22 ASN 21 HD22 ASN 21 0.342 -8.411 7.785
157 H ASN 22 HN ASN 22 -2.356 -5.888 2.667
158 HA ASN 22 HA ASN 22 -3.335 -3.157 2.943
159 HB2 ASN 22 HB2 ASN 22 -0.810 -4.067 1.912
160 HB3 ASN 22 HB1 ASN 22 -1.824 -3.071 0.852
161 HD21 ASN 22 HD21 ASN 22 -2.112 -2.817 4.264
162 HD22 ASN 22 HD22 ASN 22 -1.367 -1.311 4.476
163 H PHE 23 HN PHE 23 -2.801 -5.888 0.971
164 HA PHE 23 HA PHE 23 -3.662 -5.176 -1.460
165 HB2 PHE 23 HB2 PHE 23 -4.138 -7.594 -1.816
166 HB3 PHE 23 HB1 PHE 23 -2.612 -7.255 -1.029
167 HD1 PHE 23 HD1 PHE 23 -3.172 -9.807 -0.997
168 HD2 PHE 23 HD2 PHE 23 -4.740 -6.808 1.464
169 HE1 PHE 23 HE1 PHE 23 -3.551 -11.479 0.679
170 HE2 PHE 23 HE2 PHE 23 -5.213 -8.458 3.229
171 HZ PHE 23 HZ PHE 23 -4.627 -10.853 2.849
172 H GLY 24 HN GLY 24 -5.162 -3.899 -1.573
173 HA2 GLY 24 HA2 GLY 24 -7.237 -2.906 -1.616
174 HA3 GLY 24 HA1 GLY 24 -7.923 -4.463 -1.908
175 H ALA 25 HN ALA 25 -6.133 -3.408 0.847
176 HA ALA 25 HA ALA 25 -8.455 -3.760 2.557
177 HB1 ALA 25 HB1 ALA 25 -6.763 -3.799 4.360
178 HB2 ALA 25 HB2 ALA 25 -5.520 -3.501 3.145
179 HB3 ALA 25 HB3 ALA 25 -6.419 -5.022 3.119
180 H ILE 26 HN ILE 26 -5.950 -1.729 1.441
181 HA ILE 26 HA ILE 26 -7.181 0.493 2.740
182 HB ILE 26 HB ILE 26 -5.005 0.222 3.598
183 HG12 ILE 26 HG12 ILE 26 -4.828 2.151 1.382
184 HG13 ILE 26 HG11 ILE 26 -5.599 2.547 2.919
185 HG21 ILE 26 HG21 ILE 26 -4.066 -0.075 0.762
186 HG22 ILE 26 HG22 ILE 26 -4.102 -1.332 1.995
187 HG23 ILE 26 HG23 ILE 26 -2.987 0.028 2.155
188 HD11 ILE 26 HD11 ILE 26 -3.369 3.534 2.865
189 HD12 ILE 26 HD12 ILE 26 -2.659 1.974 2.448
190 HD13 ILE 26 HD13 ILE 26 -3.383 2.218 4.038
191 H LEU 27 HN LEU 27 -5.846 -0.795 -0.328
192 HA LEU 27 HA LEU 27 -5.895 1.732 -1.577
193 HB2 LEU 27 HB2 LEU 27 -5.093 0.506 -3.457
194 HB3 LEU 27 HB1 LEU 27 -4.141 0.361 -1.999
195 HG LEU 27 HG LEU 27 -5.492 -1.909 -1.802
196 HD11 LEU 27 HD11 LEU 27 -5.826 -2.975 -3.971
197 HD12 LEU 27 HD12 LEU 27 -5.444 -1.456 -4.782
198 HD13 LEU 27 HD13 LEU 27 -6.881 -1.578 -3.762
199 HD21 LEU 27 HD21 LEU 27 -3.666 -3.041 -2.895
200 HD22 LEU 27 HD22 LEU 27 -3.096 -1.717 -1.867
201 HD23 LEU 27 HD23 LEU 27 -3.154 -1.520 -3.627
202 H SER 28 HN SER 28 -8.005 -1.014 -1.393
203 HA SER 28 HA SER 28 -8.910 -0.416 -3.827
204 HB2 SER 28 HB2 SER 28 -10.179 -2.136 -1.722
205 HB3 SER 28 HB1 SER 28 -10.911 -1.946 -3.319
206 HG SER 28 HG SER 28 -8.962 -2.626 -4.219
207 H SER 29 HN SER 29 -9.611 0.801 -0.774
208 HA SER 29 HA SER 29 -10.693 2.560 0.084
209 HB2 SER 29 HB2 SER 29 -11.198 3.309 -2.789
210 HB3 SER 29 HB1 SER 29 -11.362 4.398 -1.406
211 HG SER 29 HG SER 29 -9.110 3.495 -2.700
212 H THR 30 HN THR 30 -12.548 0.767 -2.122
213 HA THR 30 HA THR 30 -15.161 1.597 -1.357
214 HB THR 30 HB THR 30 -14.676 0.498 -3.496
215 HG1 THR 30 HG1 THR 30 -16.425 -0.804 -1.690
216 HG21 THR 30 HG21 THR 30 -14.062 -1.920 -3.550
217 HG22 THR 30 HG22 THR 30 -13.949 -1.882 -1.775
218 HG23 THR 30 HG23 THR 30 -12.853 -0.921 -2.726
219 H ASN 31 HN ASN 31 -12.862 0.079 0.512
220 HA ASN 31 HA ASN 31 -14.746 -1.800 1.776
221 HB2 ASN 31 HB2 ASN 31 -12.963 -3.345 1.992
222 HB3 ASN 31 HB1 ASN 31 -13.004 -2.843 0.300
223 HD21 ASN 31 HD21 ASN 31 -11.334 -2.828 3.196
224 HD22 ASN 31 HD22 ASN 31 -9.889 -2.058 2.683
225 H VAL 32 HN VAL 32 -13.292 1.028 2.159
226 HA VAL 32 HA VAL 32 -12.353 0.507 4.889
227 HB VAL 32 HB VAL 32 -11.187 2.565 4.741
228 HG11 VAL 32 HG11 VAL 32 -10.009 0.558 4.017
229 HG12 VAL 32 HG12 VAL 32 -9.449 1.938 3.070
230 HG13 VAL 32 HG13 VAL 32 -10.590 0.790 2.368
231 HG21 VAL 32 HG21 VAL 32 -10.914 3.822 2.618
232 HG22 VAL 32 HG22 VAL 32 -12.567 3.847 3.242
233 HG23 VAL 32 HG23 VAL 32 -12.148 2.788 1.898
234 H GLY 33 HN GLY 33 -15.045 0.773 4.111
235 HA2 GLY 33 HA2 GLY 33 -16.870 1.755 5.300
236 HA3 GLY 33 HA1 GLY 33 -15.853 3.165 5.610
237 H SER 34 HN SER 34 -15.844 1.721 2.559
238 HA SER 34 HA SER 34 -16.181 2.472 0.477
239 HB2 SER 34 HB2 SER 34 -18.799 3.457 1.636
240 HB3 SER 34 HB1 SER 34 -18.472 3.120 -0.066
241 HG SER 34 HG SER 34 -18.606 1.327 2.104
242 H ASN 35 HN ASN 35 -14.409 3.952 0.751
243 HA ASN 35 HA ASN 35 -15.260 6.750 0.588
244 HB2 ASN 35 HB2 ASN 35 -14.371 6.193 2.859
245 HB3 ASN 35 HB1 ASN 35 -12.862 5.721 2.103
246 HD21 ASN 35 HD21 ASN 35 -13.080 7.623 4.069
247 HD22 ASN 35 HD22 ASN 35 -12.574 9.154 3.457
248 H THR 36 HN THR 36 -14.962 6.554 -1.691
249 HA THR 36 HA THR 36 -12.227 6.132 -2.636
250 HB THR 36 HB THR 36 -13.532 6.296 -4.874
251 HG1 THR 36 HG1 THR 36 -15.763 5.273 -3.814
252 HG21 THR 36 HG21 THR 36 -14.191 3.907 -4.729
253 HG22 THR 36 HG22 THR 36 -13.953 3.976 -2.978
254 HG23 THR 36 HG23 THR 36 -12.586 4.210 -4.067
255 H TYC 37 HN TYC 37 -13.206 8.473 -1.171
256 HA TYC 37 HA TYC 37 -13.532 10.524 -3.210
257 HB1 TYC 37 HB1 TYC 37 -14.307 11.933 -1.392
258 HB2 TYC 37 HB2 TYC 37 -13.862 10.700 -0.216
259 HD1 TYC 37 HD1 TYC 37 -16.212 11.526 -2.941
260 HD2 TYC 37 HD2 TYC 37 -15.286 8.843 0.219
261 HE1 TYC 37 HE1 TYC 37 -18.431 10.500 -3.165
262 HE2 TYC 37 HE2 TYC 37 -17.505 7.808 0.003
263 HH TYC 37 HH TYC 37 -19.700 8.371 -0.838
264 HT21 TYC 37 HT21 TYC 37 -11.458 10.771 -3.904
265 HT22 TYC 37 HT22 TYC 37 -10.179 11.406 -2.929
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 10.554 5.785 10.425
2 H2 LYS 1 HT2 LYS 1 11.308 7.168 9.797
3 H3 LYS 1 HT3 LYS 1 12.060 5.689 9.659
4 HA LYS 1 HA LYS 1 10.414 4.906 8.152
5 HB2 LYS 1 HB2 LYS 1 9.348 7.744 8.331
6 HB3 LYS 1 HB1 LYS 1 8.737 6.482 7.285
7 HG2 LYS 1 HG2 LYS 1 8.568 6.518 10.296
8 HG3 LYS 1 HG1 LYS 1 7.273 6.932 9.186
9 HD2 LYS 1 HD2 LYS 1 7.336 4.621 8.311
10 HD3 LYS 1 HD1 LYS 1 8.569 4.225 9.510
11 HE2 LYS 1 HE2 LYS 1 7.030 4.887 11.304
12 HE3 LYS 1 HE1 LYS 1 5.796 5.258 10.110
13 HZ1 LYS 1 HZ1 LYS 1 5.808 2.889 9.473
14 HZ2 LYS 1 HZ2 LYS 1 5.397 3.130 11.073
15 HZ3 LYS 1 HZ3 LYS 1 6.945 2.582 10.696
16 H CYS 2 HN CYS 2 10.391 5.893 5.800
17 HA CYS 2 HA CYS 2 12.434 7.881 5.435
18 HB2 CYS 2 HB2 CYS 2 13.517 6.402 3.683
19 HB3 CYS 2 HB1 CYS 2 13.847 5.981 5.371
20 H ASN 3 HN ASN 3 12.455 8.732 3.310
21 HA ASN 3 HA ASN 3 10.035 8.254 1.715
22 HB2 ASN 3 HB2 ASN 3 10.791 10.904 2.958
23 HB3 ASN 3 HB1 ASN 3 9.734 10.790 1.564
24 HD21 ASN 3 HD21 ASN 3 10.059 10.238 4.944
25 HD22 ASN 3 HD22 ASN 3 8.383 9.991 5.274
26 H THR 4 HN THR 4 13.003 7.945 1.469
27 HA THR 4 HA THR 4 13.462 9.759 -0.768
28 HB THR 4 HB THR 4 15.323 9.642 0.842
29 HG1 THR 4 HG1 THR 4 16.651 9.727 -0.741
30 HG21 THR 4 HG21 THR 4 16.586 7.570 1.199
31 HG22 THR 4 HG22 THR 4 15.440 6.706 0.178
32 HG23 THR 4 HG23 THR 4 14.908 7.376 1.720
33 H ALA 5 HN ALA 5 14.341 8.850 -2.705
34 HA ALA 5 HA ALA 5 12.677 6.841 -3.793
35 HB1 ALA 5 HB1 ALA 5 13.973 7.129 -5.836
36 HB2 ALA 5 HB2 ALA 5 15.204 8.019 -4.935
37 HB3 ALA 5 HB3 ALA 5 13.586 8.696 -5.119
38 H THR 6 HN THR 6 15.638 6.721 -2.171
39 HA THR 6 HA THR 6 16.477 4.181 -3.203
40 HB THR 6 HB THR 6 17.374 5.781 -0.811
41 HG1 THR 6 HG1 THR 6 17.677 6.084 -3.481
42 HG21 THR 6 HG21 THR 6 19.485 4.505 -1.084
43 HG22 THR 6 HG22 THR 6 18.691 3.516 -2.326
44 HG23 THR 6 HG23 THR 6 18.087 3.517 -0.659
45 H CYS 7 HN CYS 7 14.166 5.188 -0.864
46 HA CYS 7 HA CYS 7 14.540 2.683 0.692
47 HB2 CYS 7 HB2 CYS 7 15.232 4.977 1.646
48 HB3 CYS 7 HB1 CYS 7 13.572 5.207 1.782
49 H ALA 8 HN ALA 8 12.284 5.303 -0.182
50 HA ALA 8 HA ALA 8 10.061 4.108 1.017
51 HB1 ALA 8 HB1 ALA 8 10.224 6.130 -1.216
52 HB2 ALA 8 HB2 ALA 8 10.136 6.458 0.520
53 HB3 ALA 8 HB3 ALA 8 8.762 5.716 -0.307
54 H THR 9 HN THR 9 11.747 3.692 -1.883
55 HA THR 9 HA THR 9 9.755 2.387 -3.447
56 HB THR 9 HB THR 9 11.819 1.501 -4.622
57 HG1 THR 9 HG1 THR 9 13.658 3.020 -3.913
58 HG21 THR 9 HG21 THR 9 12.274 3.708 -5.634
59 HG22 THR 9 HG22 THR 9 11.491 4.489 -4.267
60 HG23 THR 9 HG23 THR 9 10.539 3.489 -5.372
61 H GLN 10 HN GLN 10 12.006 1.453 -1.095
62 HA GLN 10 HA GLN 10 11.779 -1.402 -1.377
63 HB2 GLN 10 HB2 GLN 10 12.721 0.111 1.061
64 HB3 GLN 10 HB1 GLN 10 13.112 -1.552 0.623
65 HG2 GLN 10 HG2 GLN 10 14.032 0.971 -0.719
66 HG3 GLN 10 HG1 GLN 10 14.997 -0.129 0.255
67 HE21 GLN 10 HE21 GLN 10 15.236 0.821 -2.436
68 HE22 GLN 10 HE22 GLN 10 15.379 -0.574 -3.453
69 H ARG 11 HN ARG 11 10.418 1.138 0.521
70 HA ARG 11 HA ARG 11 8.773 -0.494 2.201
71 HB2 ARG 11 HB2 ARG 11 8.139 2.338 1.341
72 HB3 ARG 11 HB1 ARG 11 7.557 1.506 2.774
73 HG2 ARG 11 HG2 ARG 11 10.361 2.460 2.233
74 HG3 ARG 11 HG1 ARG 11 9.239 3.087 3.438
75 HD2 ARG 11 HD2 ARG 11 10.508 0.367 3.363
76 HD3 ARG 11 HD1 ARG 11 10.922 1.702 4.442
77 HE ARG 11 HE ARG 11 8.488 1.449 5.183
78 HH11 ARG 11 HH11 ARG 11 10.542 -1.264 4.274
79 HH12 ARG 11 HH12 ARG 11 9.756 -2.398 5.258
80 HH21 ARG 11 HH21 ARG 11 7.417 -0.069 6.561
81 HH22 ARG 11 HH22 ARG 11 7.945 -1.683 6.650
82 H LEU 12 HN LEU 12 8.361 1.001 -0.933
83 HA LEU 12 HA LEU 12 5.773 0.191 -1.505
84 HB2 LEU 12 HB2 LEU 12 8.238 0.669 -3.033
85 HB3 LEU 12 HB1 LEU 12 6.882 0.197 -3.929
86 HG LEU 12 HG LEU 12 7.254 2.746 -2.337
87 HD11 LEU 12 HD11 LEU 12 8.188 2.717 -4.605
88 HD12 LEU 12 HD12 LEU 12 6.843 3.842 -4.467
89 HD13 LEU 12 HD13 LEU 12 6.605 2.277 -5.242
90 HD21 LEU 12 HD21 LEU 12 4.975 2.019 -1.884
91 HD22 LEU 12 HD22 LEU 12 4.698 1.743 -3.598
92 HD23 LEU 12 HD23 LEU 12 4.949 3.380 -3.004
93 H ALA 13 HN ALA 13 8.886 -1.420 -1.838
94 HA ALA 13 HA ALA 13 7.949 -3.677 -3.124
95 HB1 ALA 13 HB1 ALA 13 10.056 -4.769 -2.450
96 HB2 ALA 13 HB2 ALA 13 10.358 -3.458 -1.313
97 HB3 ALA 13 HB3 ALA 13 10.332 -3.132 -3.045
98 H ASN 14 HN ASN 14 8.111 -2.778 0.226
99 HA ASN 14 HA ASN 14 7.318 -5.357 1.300
100 HB2 ASN 14 HB2 ASN 14 7.544 -2.638 2.574
101 HB3 ASN 14 HB1 ASN 14 6.970 -4.064 3.429
102 HD21 ASN 14 HD21 ASN 14 9.550 -4.188 1.090
103 HD22 ASN 14 HD22 ASN 14 10.825 -4.499 2.191
104 H PHE 15 HN PHE 15 5.655 -2.968 -0.333
105 HA PHE 15 HA PHE 15 3.323 -3.031 1.325
106 HB2 PHE 15 HB2 PHE 15 3.393 -0.889 0.584
107 HB3 PHE 15 HB1 PHE 15 4.548 -1.303 -0.667
108 HD1 PHE 15 HD1 PHE 15 3.798 -1.791 -2.915
109 HD2 PHE 15 HD2 PHE 15 1.007 -0.795 0.143
110 HE1 PHE 15 HE1 PHE 15 2.121 -1.399 -4.613
111 HE2 PHE 15 HE2 PHE 15 -0.717 -0.389 -1.570
112 HZ PHE 15 HZ PHE 15 -0.170 -0.685 -3.958
113 H LEU 16 HN LEU 16 4.798 -4.490 -1.382
114 HA LEU 16 HA LEU 16 2.297 -5.805 -1.973
115 HB2 LEU 16 HB2 LEU 16 2.406 -5.142 -4.004
116 HB3 LEU 16 HB1 LEU 16 3.466 -3.967 -3.414
117 HG LEU 16 HG LEU 16 4.635 -6.474 -4.624
118 HD11 LEU 16 HD11 LEU 16 3.195 -5.369 -6.274
119 HD12 LEU 16 HD12 LEU 16 4.904 -5.198 -6.677
120 HD13 LEU 16 HD13 LEU 16 4.023 -3.844 -5.961
121 HD21 LEU 16 HD21 LEU 16 6.097 -5.097 -3.216
122 HD22 LEU 16 HD22 LEU 16 5.668 -3.686 -4.186
123 HD23 LEU 16 HD23 LEU 16 6.578 -5.011 -4.917
124 H VAL 17 HN VAL 17 4.756 -6.423 -0.357
125 HA VAL 17 HA VAL 17 6.347 -8.279 -1.776
126 HB VAL 17 HB VAL 17 7.181 -6.950 0.089
127 HG11 VAL 17 HG11 VAL 17 5.635 -8.755 1.925
128 HG12 VAL 17 HG12 VAL 17 5.348 -7.067 1.627
129 HG13 VAL 17 HG13 VAL 17 6.847 -7.569 2.430
130 HG21 VAL 17 HG21 VAL 17 7.593 -9.917 0.235
131 HG22 VAL 17 HG22 VAL 17 8.521 -8.770 1.206
132 HG23 VAL 17 HG23 VAL 17 8.589 -8.691 -0.556
133 H HIS 18 HN HIS 18 4.133 -8.993 0.870
134 HA HIS 18 HA HIS 18 3.689 -11.638 -0.381
135 HB2 HIS 18 HB2 HIS 18 3.757 -11.027 2.604
136 HB3 HIS 18 HB1 HIS 18 3.182 -12.535 1.912
137 HD1 HIS 18 HD1 HIS 18 4.908 -14.317 2.200
138 HD2 HIS 18 HD2 HIS 18 6.473 -10.577 1.553
139 HE1 HIS 18 HE1 HIS 18 7.382 -14.648 2.313
140 HE2 HIS 18 HE2 HIS 18 8.340 -12.336 2.113
141 H SER 19 HN SER 19 2.571 -8.868 -0.274
142 HA SER 19 HA SER 19 0.038 -9.019 0.965
143 HB2 SER 19 HB2 SER 19 0.963 -7.137 -1.180
144 HB3 SER 19 HB1 SER 19 -0.256 -6.856 0.062
145 HG SER 19 HG SER 19 1.668 -5.871 0.575
146 H SER 20 HN SER 20 1.246 -10.637 -1.607
147 HA SER 20 HA SER 20 -0.099 -10.260 -3.955
148 HB2 SER 20 HB2 SER 20 0.530 -12.939 -2.778
149 HB3 SER 20 HB1 SER 20 0.688 -12.412 -4.463
150 HG SER 20 HG SER 20 2.495 -11.259 -3.955
151 H ASN 21 HN ASN 21 -1.078 -11.811 -1.128
152 HA ASN 21 HA ASN 21 -3.360 -13.276 -2.035
153 HB2 ASN 21 HB2 ASN 21 -2.220 -12.554 0.576
154 HB3 ASN 21 HB1 ASN 21 -3.868 -13.215 0.567
155 HD21 ASN 21 HD21 ASN 21 -1.430 -14.285 1.693
156 HD22 ASN 21 HD22 ASN 21 -1.162 -15.827 0.968
157 H ASN 22 HN ASN 22 -2.860 -10.034 -1.228
158 HA ASN 22 HA ASN 22 -5.738 -9.540 -1.312
159 HB2 ASN 22 HB2 ASN 22 -3.588 -8.450 0.400
160 HB3 ASN 22 HB1 ASN 22 -5.067 -7.515 0.263
161 HD21 ASN 22 HD21 ASN 22 -6.453 -10.336 0.103
162 HD22 ASN 22 HD22 ASN 22 -6.495 -10.904 1.695
163 H PHE 23 HN PHE 23 -3.308 -9.621 -3.029
164 HA PHE 23 HA PHE 23 -3.517 -7.020 -4.335
165 HB2 PHE 23 HB2 PHE 23 -1.471 -8.652 -3.389
166 HB3 PHE 23 HB1 PHE 23 -1.152 -8.490 -5.074
167 HD1 PHE 23 HD1 PHE 23 -0.245 -6.317 -5.784
168 HD2 PHE 23 HD2 PHE 23 -1.956 -6.814 -1.954
169 HE1 PHE 23 HE1 PHE 23 0.530 -4.070 -5.150
170 HE2 PHE 23 HE2 PHE 23 -1.223 -4.659 -1.280
171 HZ PHE 23 HZ PHE 23 0.054 -3.210 -2.881
172 H GLY 24 HN GLY 24 -5.220 -9.263 -4.577
173 HA2 GLY 24 HA2 GLY 24 -6.381 -9.839 -6.545
174 HA3 GLY 24 HA1 GLY 24 -4.956 -9.908 -7.486
175 H ALA 25 HN ALA 25 -6.182 -11.224 -4.502
176 HA ALA 25 HA ALA 25 -5.844 -13.919 -5.607
177 HB1 ALA 25 HB1 ALA 25 -5.763 -14.652 -3.206
178 HB2 ALA 25 HB2 ALA 25 -5.752 -12.943 -2.733
179 HB3 ALA 25 HB3 ALA 25 -4.428 -13.603 -3.677
180 H ILE 26 HN ILE 26 -7.504 -12.117 -3.203
181 HA ILE 26 HA ILE 26 -9.966 -13.327 -3.583
182 HB ILE 26 HB ILE 26 -9.695 -12.418 -1.458
183 HG12 ILE 26 HG12 ILE 26 -11.095 -10.308 -2.951
184 HG13 ILE 26 HG11 ILE 26 -11.894 -11.786 -2.399
185 HG21 ILE 26 HG21 ILE 26 -8.642 -9.948 -2.757
186 HG22 ILE 26 HG22 ILE 26 -7.720 -11.065 -1.739
187 HG23 ILE 26 HG23 ILE 26 -8.968 -10.038 -1.034
188 HD11 ILE 26 HD11 ILE 26 -11.400 -11.050 -0.042
189 HD12 ILE 26 HD12 ILE 26 -12.500 -9.975 -0.902
190 HD13 ILE 26 HD13 ILE 26 -10.805 -9.523 -0.698
191 H LEU 27 HN LEU 27 -8.432 -10.369 -4.752
192 HA LEU 27 HA LEU 27 -10.576 -9.317 -6.230
193 HB2 LEU 27 HB2 LEU 27 -9.037 -7.718 -6.062
194 HB3 LEU 27 HB1 LEU 27 -7.733 -8.832 -5.851
195 HG LEU 27 HG LEU 27 -7.615 -9.021 -8.363
196 HD11 LEU 27 HD11 LEU 27 -8.592 -7.326 -9.680
197 HD12 LEU 27 HD12 LEU 27 -9.469 -6.673 -8.276
198 HD13 LEU 27 HD13 LEU 27 -9.836 -8.303 -8.897
199 HD21 LEU 27 HD21 LEU 27 -7.222 -6.287 -7.174
200 HD22 LEU 27 HD22 LEU 27 -6.493 -6.878 -8.665
201 HD23 LEU 27 HD23 LEU 27 -6.072 -7.623 -7.122
202 H SER 28 HN SER 28 -7.998 -11.469 -7.018
203 HA SER 28 HA SER 28 -8.711 -11.715 -9.763
204 HB2 SER 28 HB2 SER 28 -6.441 -12.181 -8.947
205 HB3 SER 28 HB1 SER 28 -7.045 -13.590 -8.075
206 HG SER 28 HG SER 28 -7.551 -13.357 -10.807
207 H SER 29 HN SER 29 -9.581 -13.450 -6.856
208 HA SER 29 HA SER 29 -11.259 -14.727 -6.290
209 HB2 SER 29 HB2 SER 29 -12.602 -13.235 -7.559
210 HB3 SER 29 HB1 SER 29 -12.374 -14.157 -9.046
211 HG SER 29 HG SER 29 -14.360 -14.622 -8.039
212 H THR 30 HN THR 30 -9.326 -15.597 -8.852
213 HA THR 30 HA THR 30 -10.144 -18.272 -9.133
214 HB THR 30 HB THR 30 -8.659 -17.174 -10.778
215 HG1 THR 30 HG1 THR 30 -6.946 -18.854 -10.770
216 HG21 THR 30 HG21 THR 30 -6.294 -16.745 -10.263
217 HG22 THR 30 HG22 THR 30 -6.583 -17.278 -8.599
218 HG23 THR 30 HG23 THR 30 -7.379 -15.832 -9.200
219 H ASN 31 HN ASN 31 -8.491 -16.553 -6.616
220 HA ASN 31 HA ASN 31 -7.404 -18.988 -5.490
221 HB2 ASN 31 HB2 ASN 31 -7.314 -16.130 -4.524
222 HB3 ASN 31 HB1 ASN 31 -6.637 -17.476 -3.620
223 HD21 ASN 31 HD21 ASN 31 -4.654 -16.628 -3.706
224 HD22 ASN 31 HD22 ASN 31 -3.661 -16.582 -5.130
225 H VAL 32 HN VAL 32 -10.224 -17.280 -5.419
226 HA VAL 32 HA VAL 32 -10.992 -18.181 -2.763
227 HB VAL 32 HB VAL 32 -12.694 -16.753 -4.846
228 HG11 VAL 32 HG11 VAL 32 -14.065 -16.073 -2.916
229 HG12 VAL 32 HG12 VAL 32 -13.045 -17.061 -1.869
230 HG13 VAL 32 HG13 VAL 32 -14.015 -17.825 -3.127
231 HG21 VAL 32 HG21 VAL 32 -10.738 -15.398 -4.300
232 HG22 VAL 32 HG22 VAL 32 -11.105 -15.548 -2.581
233 HG23 VAL 32 HG23 VAL 32 -12.208 -14.677 -3.644
234 H GLY 33 HN GLY 33 -10.975 -19.238 -5.942
235 HA2 GLY 33 HA2 GLY 33 -11.552 -21.374 -6.700
236 HA3 GLY 33 HA1 GLY 33 -12.537 -21.584 -5.254
237 H SER 34 HN SER 34 -12.894 -18.685 -6.987
238 HA SER 34 HA SER 34 -15.501 -19.631 -7.932
239 HB2 SER 34 HB2 SER 34 -14.524 -16.805 -7.523
240 HB3 SER 34 HB1 SER 34 -16.185 -17.308 -7.846
241 HG SER 34 HG SER 34 -16.091 -18.497 -5.888
242 H ASN 35 HN ASN 35 -12.620 -17.851 -8.890
243 HA ASN 35 HA ASN 35 -13.482 -17.943 -11.685
244 HB2 ASN 35 HB2 ASN 35 -11.468 -16.231 -10.254
245 HB3 ASN 35 HB1 ASN 35 -11.417 -16.409 -12.001
246 HD21 ASN 35 HD21 ASN 35 -11.839 -14.216 -12.241
247 HD22 ASN 35 HD22 ASN 35 -13.404 -13.539 -11.993
248 H THR 36 HN THR 36 -12.398 -20.238 -10.133
249 HA THR 36 HA THR 36 -9.918 -20.833 -11.386
250 HB THR 36 HB THR 36 -10.926 -23.173 -10.434
251 HG1 THR 36 HG1 THR 36 -12.372 -22.826 -8.929
252 HG21 THR 36 HG21 THR 36 -9.642 -22.705 -8.382
253 HG22 THR 36 HG22 THR 36 -9.594 -20.994 -8.807
254 HG23 THR 36 HG23 THR 36 -8.764 -22.179 -9.816
255 H TYC 37 HN ATY 37 -10.189 -20.859 -13.555
256 HA TYC 37 HA ATY 37 -12.280 -22.614 -14.613
257 HB1 TYC 37 HB1 ATY 37 -12.295 -21.250 -16.648
258 HB2 TYC 37 HB2 ATY 37 -10.993 -20.258 -16.022
259 HD1 TYC 37 HD1 ATY 37 -11.699 -18.147 -15.455
260 HD2 TYC 37 HD2 ATY 37 -14.281 -21.422 -14.645
261 HE1 TYC 37 HE1 ATY 37 -13.313 -16.612 -14.416
262 HE2 TYC 37 HE2 ATY 37 -15.910 -19.895 -13.610
263 HH TYC 37 HH ATY 37 -15.875 -17.652 -12.515
264 HT21 TYC 37 HT21 ATY 37 -9.293 -21.236 -15.906
265 HT22 TYC 37 HT22 ATY 37 -8.617 -22.756 -16.386
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 9.571 3.948 8.638
2 H2 LYS 1 HT2 LYS 1 7.881 3.849 8.486
3 H3 LYS 1 HT3 LYS 1 8.655 5.350 8.674
4 HA LYS 1 HA LYS 1 9.114 3.540 6.418
5 HB2 LYS 1 HB2 LYS 1 7.793 5.091 5.063
6 HB3 LYS 1 HB1 LYS 1 6.818 4.411 6.350
7 HG2 LYS 1 HG2 LYS 1 6.840 6.453 7.562
8 HG3 LYS 1 HG1 LYS 1 8.093 7.127 6.522
9 HD2 LYS 1 HD2 LYS 1 5.899 8.051 5.967
10 HD3 LYS 1 HD1 LYS 1 6.550 7.109 4.629
11 HE2 LYS 1 HE2 LYS 1 5.129 5.208 5.340
12 HE3 LYS 1 HE1 LYS 1 4.456 6.233 6.609
13 HZ1 LYS 1 HZ1 LYS 1 3.009 6.212 4.682
14 HZ2 LYS 1 HZ2 LYS 1 4.266 6.715 3.691
15 HZ3 LYS 1 HZ3 LYS 1 3.675 7.752 4.855
16 H CYS 2 HN CYS 2 9.668 5.422 4.562
17 HA CYS 2 HA CYS 2 11.521 7.347 5.582
18 HB2 CYS 2 HB2 CYS 2 13.272 6.362 3.936
19 HB3 CYS 2 HB1 CYS 2 13.090 5.621 5.523
20 H ASN 3 HN ASN 3 12.510 8.505 3.500
21 HA ASN 3 HA ASN 3 10.135 8.829 1.786
22 HB2 ASN 3 HB2 ASN 3 10.205 11.267 2.015
23 HB3 ASN 3 HB1 ASN 3 9.935 10.484 3.563
24 HD21 ASN 3 HD21 ASN 3 11.533 10.599 5.138
25 HD22 ASN 3 HD22 ASN 3 12.858 11.698 5.026
26 H THR 4 HN THR 4 13.103 7.983 1.549
27 HA THR 4 HA THR 4 13.677 9.790 -0.648
28 HB THR 4 HB THR 4 15.537 9.618 0.925
29 HG1 THR 4 HG1 THR 4 16.509 9.834 -0.908
30 HG21 THR 4 HG21 THR 4 15.493 6.676 0.316
31 HG22 THR 4 HG22 THR 4 15.013 7.412 1.848
32 HG23 THR 4 HG23 THR 4 16.700 7.497 1.306
33 H ALA 5 HN ALA 5 14.385 8.888 -2.605
34 HA ALA 5 HA ALA 5 12.701 6.887 -3.673
35 HB1 ALA 5 HB1 ALA 5 13.586 8.743 -4.979
36 HB2 ALA 5 HB2 ALA 5 13.998 7.189 -5.712
37 HB3 ALA 5 HB3 ALA 5 15.212 8.089 -4.794
38 H THR 6 HN THR 6 15.719 6.758 -2.145
39 HA THR 6 HA THR 6 16.601 4.259 -3.210
40 HB THR 6 HB THR 6 17.404 5.725 -0.700
41 HG1 THR 6 HG1 THR 6 17.765 6.257 -3.368
42 HG21 THR 6 HG21 THR 6 18.226 3.479 -0.823
43 HG22 THR 6 HG22 THR 6 19.572 4.604 -1.089
44 HG23 THR 6 HG23 THR 6 18.847 3.736 -2.454
45 H CYS 7 HN CYS 7 14.246 5.178 -0.894
46 HA CYS 7 HA CYS 7 14.629 2.675 0.644
47 HB2 CYS 7 HB2 CYS 7 15.389 4.904 1.616
48 HB3 CYS 7 HB1 CYS 7 13.748 5.256 1.685
49 H ALA 8 HN ALA 8 12.351 5.336 -0.097
50 HA ALA 8 HA ALA 8 10.127 4.069 1.039
51 HB1 ALA 8 HB1 ALA 8 8.833 5.733 -0.208
52 HB2 ALA 8 HB2 ALA 8 10.305 6.194 -1.091
53 HB3 ALA 8 HB3 ALA 8 10.200 6.430 0.658
54 H THR 9 HN THR 9 11.786 3.762 -1.867
55 HA THR 9 HA THR 9 9.733 2.509 -3.428
56 HB THR 9 HB THR 9 11.690 1.639 -4.760
57 HG1 THR 9 HG1 THR 9 13.544 3.287 -3.952
58 HG21 THR 9 HG21 THR 9 11.496 4.609 -4.234
59 HG22 THR 9 HG22 THR 9 10.469 3.696 -5.341
60 HG23 THR 9 HG23 THR 9 12.193 3.877 -5.677
61 H GLN 10 HN GLN 10 12.018 1.480 -1.177
62 HA GLN 10 HA GLN 10 11.836 -1.369 -1.575
63 HB2 GLN 10 HB2 GLN 10 12.734 0.077 0.929
64 HB3 GLN 10 HB1 GLN 10 13.151 -1.570 0.457
65 HG2 GLN 10 HG2 GLN 10 14.041 0.978 -0.877
66 HG3 GLN 10 HG1 GLN 10 15.012 -0.038 0.176
67 HE21 GLN 10 HE21 GLN 10 15.295 0.816 -2.559
68 HE22 GLN 10 HE22 GLN 10 15.533 -0.612 -3.516
69 H ARG 11 HN ARG 11 10.499 1.066 0.459
70 HA ARG 11 HA ARG 11 8.893 -0.616 2.137
71 HB2 ARG 11 HB2 ARG 11 8.247 2.238 1.412
72 HB3 ARG 11 HB1 ARG 11 7.763 1.362 2.854
73 HG2 ARG 11 HG2 ARG 11 10.552 2.263 2.152
74 HG3 ARG 11 HG1 ARG 11 9.510 2.952 3.390
75 HD2 ARG 11 HD2 ARG 11 10.601 0.157 3.355
76 HD3 ARG 11 HD1 ARG 11 11.239 1.525 4.274
77 HE ARG 11 HE ARG 11 8.560 1.277 4.930
78 HH11 ARG 11 HH11 ARG 11 11.473 -0.734 5.370
79 HH12 ARG 11 HH12 ARG 11 10.946 -1.378 6.848
80 HH21 ARG 11 HH21 ARG 11 7.878 0.383 6.948
81 HH22 ARG 11 HH22 ARG 11 8.854 -0.730 7.772
82 H LEU 12 HN LEU 12 8.412 0.961 -0.930
83 HA LEU 12 HA LEU 12 5.739 0.323 -1.395
84 HB2 LEU 12 HB2 LEU 12 8.153 0.724 -3.001
85 HB3 LEU 12 HB1 LEU 12 6.764 0.362 -3.879
86 HG LEU 12 HG LEU 12 7.338 2.822 -2.220
87 HD11 LEU 12 HD11 LEU 12 6.932 4.002 -4.300
88 HD12 LEU 12 HD12 LEU 12 6.519 2.484 -5.091
89 HD13 LEU 12 HD13 LEU 12 8.162 2.760 -4.542
90 HD21 LEU 12 HD21 LEU 12 5.038 2.223 -1.688
91 HD22 LEU 12 HD22 LEU 12 4.671 2.033 -3.401
92 HD23 LEU 12 HD23 LEU 12 5.058 3.626 -2.756
93 H ALA 13 HN ALA 13 8.763 -1.418 -1.955
94 HA ALA 13 HA ALA 13 7.562 -3.574 -3.250
95 HB1 ALA 13 HB1 ALA 13 9.938 -3.105 -3.495
96 HB2 ALA 13 HB2 ALA 13 9.703 -4.749 -2.906
97 HB3 ALA 13 HB3 ALA 13 10.200 -3.474 -1.793
98 H ASN 14 HN ASN 14 8.107 -2.750 0.030
99 HA ASN 14 HA ASN 14 7.420 -5.324 1.209
100 HB2 ASN 14 HB2 ASN 14 7.817 -2.585 2.395
101 HB3 ASN 14 HB1 ASN 14 7.297 -3.967 3.343
102 HD21 ASN 14 HD21 ASN 14 9.597 -4.234 0.756
103 HD22 ASN 14 HD22 ASN 14 10.983 -4.540 1.733
104 H PHE 15 HN PHE 15 5.604 -2.973 -0.284
105 HA PHE 15 HA PHE 15 3.415 -3.129 1.574
106 HB2 PHE 15 HB2 PHE 15 3.331 -0.982 0.851
107 HB3 PHE 15 HB1 PHE 15 4.420 -1.341 -0.484
108 HD1 PHE 15 HD1 PHE 15 3.566 -1.729 -2.671
109 HD2 PHE 15 HD2 PHE 15 0.898 -1.130 0.585
110 HE1 PHE 15 HE1 PHE 15 1.728 -1.451 -4.255
111 HE2 PHE 15 HE2 PHE 15 -0.962 -0.837 -0.992
112 HZ PHE 15 HZ PHE 15 -0.556 -0.996 -3.419
113 H LEU 16 HN LEU 16 4.736 -4.485 -1.257
114 HA LEU 16 HA LEU 16 2.293 -5.899 -1.624
115 HB2 LEU 16 HB2 LEU 16 2.128 -5.239 -3.651
116 HB3 LEU 16 HB1 LEU 16 3.136 -3.972 -3.150
117 HG LEU 16 HG LEU 16 4.263 -6.350 -4.629
118 HD11 LEU 16 HD11 LEU 16 3.457 -3.626 -5.642
119 HD12 LEU 16 HD12 LEU 16 2.675 -5.157 -6.039
120 HD13 LEU 16 HD13 LEU 16 4.328 -4.846 -6.567
121 HD21 LEU 16 HD21 LEU 16 6.175 -4.872 -4.971
122 HD22 LEU 16 HD22 LEU 16 5.849 -5.095 -3.245
123 HD23 LEU 16 HD23 LEU 16 5.353 -3.606 -4.054
124 H VAL 17 HN VAL 17 4.680 -6.533 -0.143
125 HA VAL 17 HA VAL 17 6.344 -8.268 -1.655
126 HB VAL 17 HB VAL 17 7.262 -6.980 0.158
127 HG11 VAL 17 HG11 VAL 17 5.346 -7.054 1.692
128 HG12 VAL 17 HG12 VAL 17 6.885 -7.371 2.492
129 HG13 VAL 17 HG13 VAL 17 5.778 -8.695 2.148
130 HG21 VAL 17 HG21 VAL 17 8.548 -8.804 1.320
131 HG22 VAL 17 HG22 VAL 17 8.539 -8.828 -0.440
132 HG23 VAL 17 HG23 VAL 17 7.524 -9.954 0.443
133 H HIS 18 HN HIS 18 4.379 -9.142 1.129
134 HA HIS 18 HA HIS 18 4.120 -11.850 -0.021
135 HB2 HIS 18 HB2 HIS 18 3.568 -10.893 2.816
136 HB3 HIS 18 HB1 HIS 18 3.187 -12.494 2.228
137 HD1 HIS 18 HD1 HIS 18 4.775 -14.000 3.353
138 HD2 HIS 18 HD2 HIS 18 6.567 -10.546 1.973
139 HE1 HIS 18 HE1 HIS 18 7.210 -14.285 3.882
140 HE2 HIS 18 HE2 HIS 18 8.320 -12.327 2.804
141 H SER 19 HN SER 19 2.810 -9.040 -0.106
142 HA SER 19 HA SER 19 0.218 -9.313 0.681
143 HB2 SER 19 HB2 SER 19 1.321 -7.494 -1.394
144 HB3 SER 19 HB1 SER 19 -0.065 -7.195 -0.349
145 HG SER 19 HG SER 19 1.568 -6.159 0.612
146 H SER 20 HN SER 20 1.946 -10.583 -1.946
147 HA SER 20 HA SER 20 0.293 -10.450 -4.224
148 HB2 SER 20 HB2 SER 20 2.246 -12.570 -3.434
149 HB3 SER 20 HB1 SER 20 1.816 -12.084 -5.083
150 HG SER 20 HG SER 20 3.838 -11.191 -4.165
151 H ASN 21 HN ASN 21 -0.277 -11.846 -1.458
152 HA ASN 21 HA ASN 21 -1.711 -14.250 -2.348
153 HB2 ASN 21 HB2 ASN 21 -0.983 -13.162 0.331
154 HB3 ASN 21 HB1 ASN 21 -2.208 -14.438 0.205
155 HD21 ASN 21 HD21 ASN 21 1.119 -13.628 0.232
156 HD22 ASN 21 HD22 ASN 21 1.740 -15.217 0.024
157 H ASN 22 HN ASN 22 -2.222 -11.043 -1.968
158 HA ASN 22 HA ASN 22 -5.124 -11.348 -1.959
159 HB2 ASN 22 HB2 ASN 22 -3.327 -9.545 -0.462
160 HB3 ASN 22 HB1 ASN 22 -4.739 -8.782 -1.163
161 HD21 ASN 22 HD21 ASN 22 -4.841 -12.113 -0.152
162 HD22 ASN 22 HD22 ASN 22 -5.823 -11.864 1.225
163 H PHE 23 HN PHE 23 -2.407 -9.455 -2.735
164 HA PHE 23 HA PHE 23 -3.261 -7.904 -4.823
165 HB2 PHE 23 HB2 PHE 23 -0.900 -8.990 -3.756
166 HB3 PHE 23 HB1 PHE 23 -0.539 -8.467 -5.354
167 HD1 PHE 23 HD1 PHE 23 -0.290 -6.019 -5.657
168 HD2 PHE 23 HD2 PHE 23 -1.880 -7.603 -2.060
169 HE1 PHE 23 HE1 PHE 23 -0.151 -3.793 -4.612
170 HE2 PHE 23 HE2 PHE 23 -1.749 -5.466 -1.004
171 HZ PHE 23 HZ PHE 23 -0.879 -3.490 -2.270
172 H GLY 24 HN GLY 24 -4.435 -8.722 -6.130
173 HA2 GLY 24 HA2 GLY 24 -5.286 -9.735 -7.942
174 HA3 GLY 24 HA1 GLY 24 -3.729 -10.146 -8.532
175 H ALA 25 HN ALA 25 -5.184 -11.037 -5.494
176 HA ALA 25 HA ALA 25 -5.522 -13.777 -6.422
177 HB1 ALA 25 HB1 ALA 25 -4.108 -13.508 -4.452
178 HB2 ALA 25 HB2 ALA 25 -5.624 -14.295 -3.986
179 HB3 ALA 25 HB3 ALA 25 -5.370 -12.579 -3.653
180 H ILE 26 HN ILE 26 -6.805 -11.272 -4.448
181 HA ILE 26 HA ILE 26 -9.453 -12.100 -4.947
182 HB ILE 26 HB ILE 26 -9.171 -11.368 -2.714
183 HG12 ILE 26 HG12 ILE 26 -10.130 -9.020 -4.195
184 HG13 ILE 26 HG11 ILE 26 -11.170 -10.404 -3.881
185 HG21 ILE 26 HG21 ILE 26 -8.149 -9.159 -2.127
186 HG22 ILE 26 HG22 ILE 26 -7.716 -9.004 -3.850
187 HG23 ILE 26 HG23 ILE 26 -7.029 -10.291 -2.893
188 HD11 ILE 26 HD11 ILE 26 -10.883 -9.934 -1.426
189 HD12 ILE 26 HD12 ILE 26 -11.702 -8.644 -2.304
190 HD13 ILE 26 HD13 ILE 26 -10.000 -8.474 -1.869
191 H LEU 27 HN LEU 27 -7.197 -9.570 -5.781
192 HA LEU 27 HA LEU 27 -8.857 -7.848 -7.204
193 HB2 LEU 27 HB2 LEU 27 -6.890 -6.857 -6.792
194 HB3 LEU 27 HB1 LEU 27 -6.017 -8.353 -6.808
195 HG LEU 27 HG LEU 27 -5.841 -8.199 -9.296
196 HD11 LEU 27 HD11 LEU 27 -7.036 -5.473 -8.970
197 HD12 LEU 27 HD12 LEU 27 -7.770 -6.898 -9.757
198 HD13 LEU 27 HD13 LEU 27 -6.284 -6.191 -10.412
199 HD21 LEU 27 HD21 LEU 27 -4.208 -6.401 -9.343
200 HD22 LEU 27 HD22 LEU 27 -4.040 -7.404 -7.903
201 HD23 LEU 27 HD23 LEU 27 -4.802 -5.818 -7.788
202 H SER 28 HN SER 28 -7.100 -10.657 -8.135
203 HA SER 28 HA SER 28 -8.062 -10.388 -10.870
204 HB2 SER 28 HB2 SER 28 -5.702 -11.133 -10.487
205 HB3 SER 28 HB1 SER 28 -6.312 -12.616 -9.771
206 HG SER 28 HG SER 28 -7.018 -11.819 -12.387
207 H SER 29 HN SER 29 -9.303 -11.544 -8.098
208 HA SER 29 HA SER 29 -11.001 -12.821 -7.431
209 HB2 SER 29 HB2 SER 29 -11.724 -12.854 -10.350
210 HB3 SER 29 HB1 SER 29 -12.830 -13.183 -9.014
211 HG SER 29 HG SER 29 -12.823 -11.095 -8.442
212 H THR 30 HN THR 30 -8.506 -14.164 -8.502
213 HA THR 30 HA THR 30 -9.471 -16.650 -9.543
214 HB THR 30 HB THR 30 -7.377 -15.698 -10.404
215 HG1 THR 30 HG1 THR 30 -6.316 -17.555 -10.511
216 HG21 THR 30 HG21 THR 30 -6.574 -14.605 -8.371
217 HG22 THR 30 HG22 THR 30 -5.334 -15.673 -9.033
218 HG23 THR 30 HG23 THR 30 -6.278 -16.177 -7.630
219 H ASN 31 HN ASN 31 -9.185 -15.375 -6.431
220 HA ASN 31 HA ASN 31 -9.008 -18.092 -5.327
221 HB2 ASN 31 HB2 ASN 31 -7.704 -15.608 -4.195
222 HB3 ASN 31 HB1 ASN 31 -7.880 -17.101 -3.294
223 HD21 ASN 31 HD21 ASN 31 -7.272 -18.811 -5.626
224 HD22 ASN 31 HD22 ASN 31 -5.587 -18.620 -5.903
225 H VAL 32 HN VAL 32 -11.165 -16.050 -5.971
226 HA VAL 32 HA VAL 32 -12.236 -15.701 -3.259
227 HB VAL 32 HB VAL 32 -13.578 -13.968 -4.104
228 HG11 VAL 32 HG11 VAL 32 -11.456 -13.273 -3.317
229 HG12 VAL 32 HG12 VAL 32 -11.806 -12.314 -4.763
230 HG13 VAL 32 HG13 VAL 32 -10.701 -13.692 -4.851
231 HG21 VAL 32 HG21 VAL 32 -13.340 -13.057 -6.391
232 HG22 VAL 32 HG22 VAL 32 -14.037 -14.677 -6.345
233 HG23 VAL 32 HG23 VAL 32 -12.347 -14.457 -6.796
234 H GLY 33 HN GLY 33 -12.421 -17.850 -5.442
235 HA2 GLY 33 HA2 GLY 33 -14.003 -19.544 -5.733
236 HA3 GLY 33 HA1 GLY 33 -15.200 -18.527 -4.925
237 H SER 34 HN SER 34 -13.179 -17.586 -7.585
238 HA SER 34 HA SER 34 -15.531 -17.597 -9.325
239 HB2 SER 34 HB2 SER 34 -13.488 -15.389 -9.064
240 HB3 SER 34 HB1 SER 34 -14.773 -15.448 -10.274
241 HG SER 34 HG SER 34 -16.033 -15.864 -8.141
242 H ASN 35 HN ASN 35 -12.740 -18.951 -8.807
243 HA ASN 35 HA ASN 35 -12.361 -19.545 -11.602
244 HB2 ASN 35 HB2 ASN 35 -10.622 -17.893 -11.207
245 HB3 ASN 35 HB1 ASN 35 -10.052 -18.760 -9.777
246 HD21 ASN 35 HD21 ASN 35 -7.978 -18.989 -10.634
247 HD22 ASN 35 HD22 ASN 35 -7.633 -20.069 -11.930
248 H THR 36 HN THR 36 -13.671 -21.197 -10.701
249 HA THR 36 HA THR 36 -11.975 -23.403 -9.903
250 HB THR 36 HB THR 36 -14.656 -22.845 -8.587
251 HG1 THR 36 HG1 THR 36 -12.065 -22.043 -8.011
252 HG21 THR 36 HG21 THR 36 -13.942 -25.215 -8.683
253 HG22 THR 36 HG22 THR 36 -13.966 -24.590 -7.034
254 HG23 THR 36 HG23 THR 36 -12.429 -24.770 -7.886
255 H TYC 37 HN ATY 37 -12.283 -23.599 -12.208
256 HA TYC 37 HA ATY 37 -14.976 -24.334 -13.051
257 HB1 TYC 37 HB1 ATY 37 -14.209 -24.084 -15.298
258 HB2 TYC 37 HB2 ATY 37 -12.519 -24.134 -14.802
259 HD1 TYC 37 HD1 ATY 37 -15.441 -22.100 -13.611
260 HD2 TYC 37 HD2 ATY 37 -11.528 -22.106 -15.270
261 HE1 TYC 37 HE1 ATY 37 -15.366 -19.651 -13.448
262 HE2 TYC 37 HE2 ATY 37 -11.451 -19.660 -15.103
263 HH TYC 37 HH ATY 37 -13.618 -17.927 -13.239
264 HT21 TYC 37 HT21 ATY 37 -15.099 -26.277 -12.002
265 HT22 TYC 37 HT22 ATY 37 -14.230 -27.683 -12.508
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 9.322 5.666 9.320
2 H2 LYS 1 HT2 LYS 1 10.126 4.256 8.866
3 H3 LYS 1 HT3 LYS 1 8.465 4.218 9.117
4 HA LYS 1 HA LYS 1 9.031 4.192 6.793
5 HB2 LYS 1 HB2 LYS 1 7.761 6.743 7.782
6 HB3 LYS 1 HB1 LYS 1 7.766 6.267 6.097
7 HG2 LYS 1 HG2 LYS 1 6.553 4.219 6.701
8 HG3 LYS 1 HG1 LYS 1 6.495 4.767 8.374
9 HD2 LYS 1 HD2 LYS 1 5.263 6.763 7.650
10 HD3 LYS 1 HD1 LYS 1 5.309 6.173 5.989
11 HE2 LYS 1 HE2 LYS 1 4.060 4.186 6.649
12 HE3 LYS 1 HE1 LYS 1 4.041 4.753 8.317
13 HZ1 LYS 1 HZ1 LYS 1 1.977 5.235 7.200
14 HZ2 LYS 1 HZ2 LYS 1 2.768 6.110 6.007
15 HZ3 LYS 1 HZ3 LYS 1 2.751 6.676 7.597
16 H CYS 2 HN CYS 2 9.639 5.700 4.958
17 HA CYS 2 HA CYS 2 11.652 7.652 5.566
18 HB2 CYS 2 HB2 CYS 2 13.255 6.499 3.954
19 HB3 CYS 2 HB1 CYS 2 13.106 5.786 5.554
20 H ASN 3 HN ASN 3 12.476 8.554 3.347
21 HA ASN 3 HA ASN 3 10.050 8.809 1.699
22 HB2 ASN 3 HB2 ASN 3 10.016 10.514 3.530
23 HB3 ASN 3 HB1 ASN 3 11.521 11.167 2.915
24 HD21 ASN 3 HD21 ASN 3 11.449 12.533 1.128
25 HD22 ASN 3 HD22 ASN 3 9.982 13.090 0.419
26 H THR 4 HN THR 4 13.141 8.025 1.528
27 HA THR 4 HA THR 4 13.656 9.712 -0.794
28 HB THR 4 HB THR 4 15.508 9.630 0.827
29 HG1 THR 4 HG1 THR 4 16.683 9.812 -0.821
30 HG21 THR 4 HG21 THR 4 15.077 7.410 1.778
31 HG22 THR 4 HG22 THR 4 16.754 7.558 1.242
32 HG23 THR 4 HG23 THR 4 15.580 6.674 0.256
33 H ALA 5 HN ALA 5 14.394 8.746 -2.699
34 HA ALA 5 HA ALA 5 12.736 6.703 -3.667
35 HB1 ALA 5 HB1 ALA 5 13.584 8.520 -5.059
36 HB2 ALA 5 HB2 ALA 5 13.958 6.935 -5.746
37 HB3 ALA 5 HB3 ALA 5 15.208 7.851 -4.902
38 H THR 6 HN THR 6 15.736 6.577 -2.122
39 HA THR 6 HA THR 6 16.463 4.009 -3.200
40 HB THR 6 HB THR 6 17.581 5.611 -0.894
41 HG1 THR 6 HG1 THR 6 18.379 5.357 -3.608
42 HG21 THR 6 HG21 THR 6 18.144 3.279 -0.731
43 HG22 THR 6 HG22 THR 6 19.590 4.202 -1.163
44 HG23 THR 6 HG23 THR 6 18.737 3.244 -2.393
45 H CYS 7 HN CYS 7 14.279 5.086 -0.854
46 HA CYS 7 HA CYS 7 14.624 2.644 0.789
47 HB2 CYS 7 HB2 CYS 7 15.358 4.897 1.668
48 HB3 CYS 7 HB1 CYS 7 13.718 5.277 1.671
49 H ALA 8 HN ALA 8 12.361 5.296 -0.028
50 HA ALA 8 HA ALA 8 10.123 4.040 1.115
51 HB1 ALA 8 HB1 ALA 8 10.236 6.413 0.759
52 HB2 ALA 8 HB2 ALA 8 8.849 5.732 -0.101
53 HB3 ALA 8 HB3 ALA 8 10.322 6.176 -0.986
54 H THR 9 HN THR 9 11.758 3.767 -1.798
55 HA THR 9 HA THR 9 9.675 2.586 -3.377
56 HB THR 9 HB THR 9 11.617 1.678 -4.701
57 HG1 THR 9 HG1 THR 9 13.532 3.196 -3.934
58 HG21 THR 9 HG21 THR 9 11.463 4.655 -4.174
59 HG22 THR 9 HG22 THR 9 10.455 3.756 -5.311
60 HG23 THR 9 HG23 THR 9 12.189 3.921 -5.601
61 H GLN 10 HN GLN 10 11.960 1.504 -1.153
62 HA GLN 10 HA GLN 10 11.692 -1.325 -1.589
63 HB2 GLN 10 HB2 GLN 10 12.697 -0.003 0.930
64 HB3 GLN 10 HB1 GLN 10 13.059 -1.630 0.363
65 HG2 GLN 10 HG2 GLN 10 14.032 0.988 -0.730
66 HG3 GLN 10 HG1 GLN 10 14.974 -0.254 0.078
67 HE21 GLN 10 HE21 GLN 10 15.245 1.007 -2.464
68 HE22 GLN 10 HE22 GLN 10 15.319 -0.243 -3.659
69 H ARG 11 HN ARG 11 10.447 1.125 0.521
70 HA ARG 11 HA ARG 11 8.856 -0.556 2.162
71 HB2 ARG 11 HB2 ARG 11 8.208 2.305 1.403
72 HB3 ARG 11 HB1 ARG 11 7.613 1.431 2.802
73 HG2 ARG 11 HG2 ARG 11 10.437 2.342 2.301
74 HG3 ARG 11 HG1 ARG 11 9.322 2.986 3.502
75 HD2 ARG 11 HD2 ARG 11 10.536 0.264 3.373
76 HD3 ARG 11 HD1 ARG 11 10.909 1.546 4.534
77 HE ARG 11 HE ARG 11 8.440 1.263 5.164
78 HH11 ARG 11 HH11 ARG 11 10.566 -1.436 4.256
79 HH12 ARG 11 HH12 ARG 11 9.662 -2.610 5.081
80 HH21 ARG 11 HH21 ARG 11 7.220 -0.337 6.278
81 HH22 ARG 11 HH22 ARG 11 7.685 -1.981 6.265
82 H LEU 12 HN LEU 12 8.291 1.091 -0.872
83 HA LEU 12 HA LEU 12 5.649 0.354 -1.356
84 HB2 LEU 12 HB2 LEU 12 8.053 0.847 -2.938
85 HB3 LEU 12 HB1 LEU 12 6.672 0.492 -3.835
86 HG LEU 12 HG LEU 12 7.207 2.895 -2.075
87 HD11 LEU 12 HD11 LEU 12 6.408 2.699 -4.966
88 HD12 LEU 12 HD12 LEU 12 8.063 2.864 -4.408
89 HD13 LEU 12 HD13 LEU 12 6.902 4.152 -4.096
90 HD21 LEU 12 HD21 LEU 12 4.944 3.697 -2.633
91 HD22 LEU 12 HD22 LEU 12 4.913 2.261 -1.617
92 HD23 LEU 12 HD23 LEU 12 4.577 2.126 -3.346
93 H ALA 13 HN ALA 13 8.724 -1.232 -1.980
94 HA ALA 13 HA ALA 13 7.697 -3.435 -3.344
95 HB1 ALA 13 HB1 ALA 13 10.050 -2.781 -3.483
96 HB2 ALA 13 HB2 ALA 13 9.916 -4.459 -2.955
97 HB3 ALA 13 HB3 ALA 13 10.273 -3.192 -1.787
98 H ASN 14 HN ASN 14 8.199 -2.737 0.022
99 HA ASN 14 HA ASN 14 7.616 -5.413 0.958
100 HB2 ASN 14 HB2 ASN 14 7.902 -2.825 2.480
101 HB3 ASN 14 HB1 ASN 14 7.512 -4.383 3.199
102 HD21 ASN 14 HD21 ASN 14 9.780 -4.063 0.607
103 HD22 ASN 14 HD22 ASN 14 11.197 -4.400 1.527
104 H PHE 15 HN PHE 15 5.654 -3.011 -0.270
105 HA PHE 15 HA PHE 15 3.644 -3.220 1.754
106 HB2 PHE 15 HB2 PHE 15 3.502 -1.053 1.122
107 HB3 PHE 15 HB1 PHE 15 4.464 -1.353 -0.315
108 HD1 PHE 15 HD1 PHE 15 3.449 -1.618 -2.423
109 HD2 PHE 15 HD2 PHE 15 1.040 -1.283 1.058
110 HE1 PHE 15 HE1 PHE 15 1.467 -1.311 -3.836
111 HE2 PHE 15 HE2 PHE 15 -0.956 -0.971 -0.343
112 HZ PHE 15 HZ PHE 15 -0.744 -0.984 -2.802
113 H LEU 16 HN LEU 16 4.677 -4.534 -1.200
114 HA LEU 16 HA LEU 16 2.160 -5.884 -1.392
115 HB2 LEU 16 HB2 LEU 16 1.880 -5.232 -3.405
116 HB3 LEU 16 HB1 LEU 16 2.861 -3.933 -2.933
117 HG LEU 16 HG LEU 16 4.015 -6.253 -4.500
118 HD11 LEU 16 HD11 LEU 16 3.125 -3.541 -5.465
119 HD12 LEU 16 HD12 LEU 16 2.360 -5.084 -5.848
120 HD13 LEU 16 HD13 LEU 16 3.990 -4.742 -6.421
121 HD21 LEU 16 HD21 LEU 16 5.064 -3.496 -3.891
122 HD22 LEU 16 HD22 LEU 16 5.849 -4.708 -4.905
123 HD23 LEU 16 HD23 LEU 16 5.643 -5.004 -3.174
124 H VAL 17 HN VAL 17 4.891 -6.519 -0.277
125 HA VAL 17 HA VAL 17 6.185 -8.214 -2.177
126 HB VAL 17 HB VAL 17 7.432 -6.846 -0.573
127 HG11 VAL 17 HG11 VAL 17 6.569 -8.782 1.549
128 HG12 VAL 17 HG12 VAL 17 6.174 -7.082 1.433
129 HG13 VAL 17 HG13 VAL 17 7.848 -7.577 1.723
130 HG21 VAL 17 HG21 VAL 17 8.605 -8.532 -1.695
131 HG22 VAL 17 HG22 VAL 17 8.025 -9.771 -0.594
132 HG23 VAL 17 HG23 VAL 17 9.144 -8.515 -0.014
133 H HIS 18 HN HIS 18 4.827 -9.028 0.959
134 HA HIS 18 HA HIS 18 4.126 -11.667 -0.160
135 HB2 HIS 18 HB2 HIS 18 5.118 -11.117 2.669
136 HB3 HIS 18 HB1 HIS 18 4.381 -12.628 2.149
137 HD1 HIS 18 HD1 HIS 18 6.067 -14.386 1.637
138 HD2 HIS 18 HD2 HIS 18 7.400 -10.555 0.961
139 HE1 HIS 18 HE1 HIS 18 8.439 -14.673 0.866
140 HE2 HIS 18 HE2 HIS 18 9.185 -12.335 0.262
141 H SER 19 HN SER 19 3.041 -8.984 0.261
142 HA SER 19 HA SER 19 0.989 -9.091 2.145
143 HB2 SER 19 HB2 SER 19 1.215 -7.398 -0.319
144 HB3 SER 19 HB1 SER 19 0.319 -7.035 1.163
145 HG SER 19 HG SER 19 2.139 -5.975 1.396
146 H SER 20 HN SER 20 1.538 -10.699 -0.710
147 HA SER 20 HA SER 20 -0.624 -10.745 -2.340
148 HB2 SER 20 HB2 SER 20 0.968 -13.150 -1.561
149 HB3 SER 20 HB1 SER 20 0.473 -12.599 -3.170
150 HG SER 20 HG SER 20 2.452 -11.823 -3.192
151 H ASN 21 HN ASN 21 -0.131 -12.020 0.775
152 HA ASN 21 HA ASN 21 -2.150 -13.980 0.839
153 HB2 ASN 21 HB2 ASN 21 -0.503 -12.608 2.866
154 HB3 ASN 21 HB1 ASN 21 -1.819 -13.669 3.432
155 HD21 ASN 21 HD21 ASN 21 1.370 -13.380 2.171
156 HD22 ASN 21 HD22 ASN 21 1.724 -15.060 2.097
157 H ASN 22 HN ASN 22 -2.094 -10.555 1.423
158 HA ASN 22 HA ASN 22 -4.889 -10.753 2.224
159 HB2 ASN 22 HB2 ASN 22 -2.627 -9.186 3.092
160 HB3 ASN 22 HB1 ASN 22 -4.174 -8.322 3.223
161 HD21 ASN 22 HD21 ASN 22 -2.269 -11.051 4.177
162 HD22 ASN 22 HD22 ASN 22 -3.203 -11.646 5.479
163 H PHE 23 HN PHE 23 -3.084 -10.407 -0.113
164 HA PHE 23 HA PHE 23 -4.585 -8.451 -1.633
165 HB2 PHE 23 HB2 PHE 23 -2.067 -9.645 -1.500
166 HB3 PHE 23 HB1 PHE 23 -2.513 -9.857 -3.134
167 HD1 PHE 23 HD1 PHE 23 -1.967 -7.591 -0.337
168 HD2 PHE 23 HD2 PHE 23 -2.416 -7.789 -4.549
169 HE1 PHE 23 HE1 PHE 23 -1.169 -5.313 -0.492
170 HE2 PHE 23 HE2 PHE 23 -1.613 -5.463 -4.748
171 HZ PHE 23 HZ PHE 23 -0.982 -4.206 -2.719
172 H GLY 24 HN GLY 24 -4.651 -11.577 -0.631
173 HA2 GLY 24 HA2 GLY 24 -6.893 -12.467 -1.283
174 HA3 GLY 24 HA1 GLY 24 -6.310 -12.581 -2.901
175 H ALA 25 HN ALA 25 -5.390 -13.432 0.353
176 HA ALA 25 HA ALA 25 -5.197 -16.216 -0.548
177 HB1 ALA 25 HB1 ALA 25 -3.853 -14.749 1.716
178 HB2 ALA 25 HB2 ALA 25 -3.086 -15.539 0.325
179 HB3 ALA 25 HB3 ALA 25 -3.853 -16.514 1.588
180 H ILE 26 HN ILE 26 -6.016 -14.023 1.976
181 HA ILE 26 HA ILE 26 -7.969 -15.824 2.982
182 HB ILE 26 HB ILE 26 -6.600 -14.817 4.630
183 HG12 ILE 26 HG12 ILE 26 -9.110 -13.315 4.502
184 HG13 ILE 26 HG11 ILE 26 -9.058 -14.975 5.103
185 HG21 ILE 26 HG21 ILE 26 -5.713 -12.939 3.437
186 HG22 ILE 26 HG22 ILE 26 -6.491 -12.303 4.897
187 HG23 ILE 26 HG23 ILE 26 -7.305 -12.213 3.326
188 HD11 ILE 26 HD11 ILE 26 -7.545 -14.169 6.940
189 HD12 ILE 26 HD12 ILE 26 -9.159 -13.462 7.002
190 HD13 ILE 26 HD13 ILE 26 -7.809 -12.521 6.368
191 H LEU 27 HN LEU 27 -7.744 -12.654 1.319
192 HA LEU 27 HA LEU 27 -10.372 -11.826 1.787
193 HB2 LEU 27 HB2 LEU 27 -9.675 -9.948 0.738
194 HB3 LEU 27 HB1 LEU 27 -8.147 -10.775 0.741
195 HG LEU 27 HG LEU 27 -8.519 -11.460 -1.643
196 HD11 LEU 27 HD11 LEU 27 -10.144 -10.247 -2.982
197 HD12 LEU 27 HD12 LEU 27 -10.862 -9.569 -1.510
198 HD13 LEU 27 HD13 LEU 27 -10.897 -11.316 -1.804
199 HD21 LEU 27 HD21 LEU 27 -8.002 -9.255 -2.552
200 HD22 LEU 27 HD22 LEU 27 -7.122 -9.577 -1.060
201 HD23 LEU 27 HD23 LEU 27 -8.532 -8.514 -1.041
202 H SER 28 HN SER 28 -8.882 -13.607 -0.746
203 HA SER 28 HA SER 28 -10.809 -13.600 -2.543
204 HB2 SER 28 HB2 SER 28 -9.023 -15.906 -1.899
205 HB3 SER 28 HB1 SER 28 -9.812 -15.656 -3.467
206 HG SER 28 HG SER 28 -8.420 -14.130 -3.917
207 H SER 29 HN SER 29 -10.621 -15.649 0.331
208 HA SER 29 HA SER 29 -12.117 -16.737 1.575
209 HB2 SER 29 HB2 SER 29 -14.139 -15.655 -0.305
210 HB3 SER 29 HB1 SER 29 -14.498 -16.318 1.290
211 HG SER 29 HG SER 29 -13.032 -13.950 0.667
212 H THR 30 HN THR 30 -11.713 -17.524 -1.616
213 HA THR 30 HA THR 30 -13.563 -19.501 -2.091
214 HB THR 30 HB THR 30 -12.304 -18.640 -3.933
215 HG1 THR 30 HG1 THR 30 -12.084 -20.455 -4.974
216 HG21 THR 30 HG21 THR 30 -9.829 -19.769 -2.633
217 HG22 THR 30 HG22 THR 30 -10.236 -18.062 -2.774
218 HG23 THR 30 HG23 THR 30 -9.882 -19.009 -4.226
219 H ASN 31 HN ASN 31 -10.553 -19.638 -0.439
220 HA ASN 31 HA ASN 31 -10.867 -22.516 0.020
221 HB2 ASN 31 HB2 ASN 31 -8.672 -22.035 -0.805
222 HB3 ASN 31 HB1 ASN 31 -8.459 -20.714 0.330
223 HD21 ASN 31 HD21 ASN 31 -7.709 -21.145 2.319
224 HD22 ASN 31 HD22 ASN 31 -7.217 -22.715 2.862
225 H VAL 32 HN VAL 32 -11.199 -19.577 1.518
226 HA VAL 32 HA VAL 32 -10.898 -20.305 4.258
227 HB VAL 32 HB VAL 32 -12.780 -18.180 3.182
228 HG11 VAL 32 HG11 VAL 32 -11.403 -18.425 5.846
229 HG12 VAL 32 HG12 VAL 32 -13.119 -18.663 5.525
230 HG13 VAL 32 HG13 VAL 32 -12.401 -17.064 5.329
231 HG21 VAL 32 HG21 VAL 32 -9.864 -17.926 3.861
232 HG22 VAL 32 HG22 VAL 32 -10.961 -16.599 3.420
233 HG23 VAL 32 HG23 VAL 32 -10.612 -17.891 2.262
234 H GLY 33 HN GLY 33 -13.505 -20.444 1.982
235 HA2 GLY 33 HA2 GLY 33 -14.766 -22.660 2.769
236 HA3 GLY 33 HA1 GLY 33 -15.332 -21.519 3.978
237 H SER 34 HN SER 34 -14.943 -19.685 1.230
238 HA SER 34 HA SER 34 -17.782 -19.761 0.879
239 HB2 SER 34 HB2 SER 34 -15.714 -18.020 -0.459
240 HB3 SER 34 HB1 SER 34 -17.462 -17.768 -0.495
241 HG SER 34 HG SER 34 -16.952 -18.007 2.002
242 H ASN 35 HN ASN 35 -15.104 -21.198 -0.743
243 HA ASN 35 HA ASN 35 -16.897 -21.993 -2.941
244 HB2 ASN 35 HB2 ASN 35 -14.058 -21.025 -3.220
245 HB3 ASN 35 HB1 ASN 35 -14.965 -21.807 -4.505
246 HD21 ASN 35 HD21 ASN 35 -16.468 -20.639 -5.615
247 HD22 ASN 35 HD22 ASN 35 -16.723 -18.946 -5.405
248 H THR 36 HN THR 36 -15.878 -23.259 -0.466
249 HA THR 36 HA THR 36 -14.012 -25.224 -1.418
250 HB THR 36 HB THR 36 -14.374 -26.185 0.907
251 HG1 THR 36 HG1 THR 36 -16.459 -24.929 1.003
252 HG21 THR 36 HG21 THR 36 -13.452 -23.312 0.672
253 HG22 THR 36 HG22 THR 36 -12.460 -24.741 0.377
254 HG23 THR 36 HG23 THR 36 -13.064 -24.403 2.000
255 H TYC 37 HN ATY 37 -15.079 -26.339 -2.959
256 HA TYC 37 HA ATY 37 -17.492 -27.749 -2.107
257 HB1 TYC 37 HB1 ATY 37 -18.050 -27.949 -4.528
258 HB2 TYC 37 HB2 ATY 37 -16.609 -27.015 -4.911
259 HD1 TYC 37 HD1 ATY 37 -16.923 -24.766 -5.355
260 HD2 TYC 37 HD2 ATY 37 -19.583 -26.726 -2.690
261 HE1 TYC 37 HE1 ATY 37 -18.199 -22.676 -5.086
262 HE2 TYC 37 HE2 ATY 37 -20.866 -24.664 -2.425
263 HH TYC 37 HH ATY 37 -20.545 -22.043 -4.447
264 HT21 TYC 37 HT21 ATY 37 -15.481 -28.518 -4.852
265 HT22 TYC 37 HT22 ATY 37 -14.957 -30.055 -4.265
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 11.277 5.179 9.755
2 H2 LYS 1 HT2 LYS 1 11.515 3.895 8.727
3 H3 LYS 1 HT3 LYS 1 10.144 3.929 9.701
4 HA LYS 1 HA LYS 1 9.667 4.489 7.393
5 HB2 LYS 1 HB2 LYS 1 9.409 6.855 9.276
6 HB3 LYS 1 HB1 LYS 1 8.546 6.675 7.758
7 HG2 LYS 1 HG2 LYS 1 7.480 4.627 8.660
8 HG3 LYS 1 HG1 LYS 1 8.269 4.942 10.200
9 HD2 LYS 1 HD2 LYS 1 5.999 5.741 10.282
10 HD3 LYS 1 HD1 LYS 1 7.090 7.128 10.306
11 HE2 LYS 1 HE2 LYS 1 6.648 7.563 7.966
12 HE3 LYS 1 HE1 LYS 1 5.705 6.083 7.828
13 HZ1 LYS 1 HZ1 LYS 1 5.004 8.474 9.446
14 HZ2 LYS 1 HZ2 LYS 1 4.099 7.063 9.403
15 HZ3 LYS 1 HZ3 LYS 1 4.254 7.994 8.023
16 H CYS 2 HN CYS 2 10.135 5.634 5.552
17 HA CYS 2 HA CYS 2 12.197 7.620 5.651
18 HB2 CYS 2 HB2 CYS 2 13.507 6.331 3.877
19 HB3 CYS 2 HB1 CYS 2 13.633 5.735 5.533
20 H ASN 3 HN ASN 3 12.559 8.550 3.404
21 HA ASN 3 HA ASN 3 10.129 8.373 1.771
22 HB2 ASN 3 HB2 ASN 3 11.013 10.823 3.258
23 HB3 ASN 3 HB1 ASN 3 10.165 10.981 1.729
24 HD21 ASN 3 HD21 ASN 3 8.514 8.616 2.240
25 HD22 ASN 3 HD22 ASN 3 7.341 9.123 3.396
26 H THR 4 HN THR 4 13.136 7.915 1.492
27 HA THR 4 HA THR 4 13.545 9.740 -0.747
28 HB THR 4 HB THR 4 15.435 9.556 0.834
29 HG1 THR 4 HG1 THR 4 16.959 9.365 -0.673
30 HG21 THR 4 HG21 THR 4 16.666 7.491 1.121
31 HG22 THR 4 HG22 THR 4 15.571 6.678 -0.004
32 HG23 THR 4 HG23 THR 4 14.962 7.238 1.544
33 H ALA 5 HN ALA 5 14.372 8.835 -2.711
34 HA ALA 5 HA ALA 5 12.646 6.864 -3.751
35 HB1 ALA 5 HB1 ALA 5 13.515 8.743 -5.085
36 HB2 ALA 5 HB2 ALA 5 13.798 7.184 -5.853
37 HB3 ALA 5 HB3 ALA 5 15.121 8.013 -5.030
38 H THR 6 HN THR 6 15.661 6.671 -2.263
39 HA THR 6 HA THR 6 16.296 4.060 -3.330
40 HB THR 6 HB THR 6 17.569 5.804 -1.219
41 HG1 THR 6 HG1 THR 6 17.764 5.521 -3.947
42 HG21 THR 6 HG21 THR 6 19.539 4.311 -1.384
43 HG22 THR 6 HG22 THR 6 18.611 3.230 -2.444
44 HG23 THR 6 HG23 THR 6 18.103 3.487 -0.769
45 H CYS 7 HN CYS 7 14.193 5.172 -0.925
46 HA CYS 7 HA CYS 7 14.560 2.692 0.659
47 HB2 CYS 7 HB2 CYS 7 15.380 4.917 1.601
48 HB3 CYS 7 HB1 CYS 7 13.730 5.266 1.777
49 H ALA 8 HN ALA 8 12.324 5.355 -0.107
50 HA ALA 8 HA ALA 8 10.111 4.134 1.106
51 HB1 ALA 8 HB1 ALA 8 8.819 5.818 -0.096
52 HB2 ALA 8 HB2 ALA 8 10.257 6.224 -1.061
53 HB3 ALA 8 HB3 ALA 8 10.243 6.510 0.680
54 H THR 9 HN THR 9 11.756 3.719 -1.789
55 HA THR 9 HA THR 9 9.727 2.491 -3.383
56 HB THR 9 HB THR 9 11.803 1.554 -4.548
57 HG1 THR 9 HG1 THR 9 13.667 2.917 -3.921
58 HG21 THR 9 HG21 THR 9 11.411 4.538 -4.249
59 HG22 THR 9 HG22 THR 9 10.513 3.490 -5.350
60 HG23 THR 9 HG23 THR 9 12.245 3.746 -5.585
61 H GLN 10 HN GLN 10 11.927 1.510 -1.030
62 HA GLN 10 HA GLN 10 11.696 -1.329 -1.417
63 HB2 GLN 10 HB2 GLN 10 12.716 0.122 1.029
64 HB3 GLN 10 HB1 GLN 10 13.048 -1.554 0.580
65 HG2 GLN 10 HG2 GLN 10 14.011 0.946 -0.787
66 HG3 GLN 10 HG1 GLN 10 14.967 -0.217 0.128
67 HE21 GLN 10 HE21 GLN 10 15.055 0.759 -2.618
68 HE22 GLN 10 HE22 GLN 10 15.091 -0.653 -3.620
69 H ARG 11 HN ARG 11 10.373 1.161 0.537
70 HA ARG 11 HA ARG 11 8.684 -0.466 2.136
71 HB2 ARG 11 HB2 ARG 11 8.131 2.369 1.226
72 HB3 ARG 11 HB1 ARG 11 7.371 1.552 2.580
73 HG2 ARG 11 HG2 ARG 11 10.222 2.450 2.344
74 HG3 ARG 11 HG1 ARG 11 8.998 3.075 3.445
75 HD2 ARG 11 HD2 ARG 11 10.301 0.405 3.396
76 HD3 ARG 11 HD1 ARG 11 10.466 1.648 4.639
77 HE ARG 11 HE ARG 11 7.878 1.167 4.854
78 HH11 ARG 11 HH11 ARG 11 10.490 -1.170 4.474
79 HH12 ARG 11 HH12 ARG 11 9.659 -2.479 5.159
80 HH21 ARG 11 HH21 ARG 11 6.695 -0.643 5.858
81 HH22 ARG 11 HH22 ARG 11 7.466 -2.157 6.014
82 H LEU 12 HN LEU 12 8.334 1.036 -1.013
83 HA LEU 12 HA LEU 12 5.737 0.257 -1.621
84 HB2 LEU 12 HB2 LEU 12 8.220 0.721 -3.123
85 HB3 LEU 12 HB1 LEU 12 6.857 0.286 -4.027
86 HG LEU 12 HG LEU 12 7.274 2.806 -2.402
87 HD11 LEU 12 HD11 LEU 12 6.915 3.932 -4.531
88 HD12 LEU 12 HD12 LEU 12 6.653 2.381 -5.318
89 HD13 LEU 12 HD13 LEU 12 8.236 2.772 -4.663
90 HD21 LEU 12 HD21 LEU 12 4.974 2.105 -2.000
91 HD22 LEU 12 HD22 LEU 12 4.716 1.894 -3.729
92 HD23 LEU 12 HD23 LEU 12 5.003 3.504 -3.073
93 H ALA 13 HN ALA 13 8.846 -1.345 -1.939
94 HA ALA 13 HA ALA 13 7.900 -3.616 -3.218
95 HB1 ALA 13 HB1 ALA 13 10.324 -3.353 -1.434
96 HB2 ALA 13 HB2 ALA 13 10.275 -3.056 -3.170
97 HB3 ALA 13 HB3 ALA 13 10.025 -4.686 -2.550
98 H ASN 14 HN ASN 14 8.063 -2.668 0.119
99 HA ASN 14 HA ASN 14 7.328 -5.258 1.165
100 HB2 ASN 14 HB2 ASN 14 7.613 -2.588 2.542
101 HB3 ASN 14 HB1 ASN 14 7.033 -4.037 3.354
102 HD21 ASN 14 HD21 ASN 14 9.521 -4.081 0.949
103 HD22 ASN 14 HD22 ASN 14 10.833 -4.460 1.997
104 H PHE 15 HN PHE 15 5.602 -2.957 -0.424
105 HA PHE 15 HA PHE 15 3.275 -3.031 1.256
106 HB2 PHE 15 HB2 PHE 15 3.284 -0.891 0.468
107 HB3 PHE 15 HB1 PHE 15 4.456 -1.297 -0.772
108 HD1 PHE 15 HD1 PHE 15 0.899 -0.907 0.006
109 HD2 PHE 15 HD2 PHE 15 3.737 -1.907 -2.994
110 HE1 PHE 15 HE1 PHE 15 -0.837 -0.688 -1.716
111 HE2 PHE 15 HE2 PHE 15 2.029 -1.700 -4.715
112 HZ PHE 15 HZ PHE 15 -0.286 -1.079 -4.085
113 H LEU 16 HN LEU 16 4.814 -4.623 -1.314
114 HA LEU 16 HA LEU 16 2.376 -6.000 -1.875
115 HB2 LEU 16 HB2 LEU 16 2.411 -5.458 -3.925
116 HB3 LEU 16 HB1 LEU 16 3.276 -4.101 -3.390
117 HG LEU 16 HG LEU 16 4.638 -6.464 -4.729
118 HD11 LEU 16 HD11 LEU 16 4.928 -4.946 -6.615
119 HD12 LEU 16 HD12 LEU 16 3.972 -3.722 -5.783
120 HD13 LEU 16 HD13 LEU 16 3.221 -5.235 -6.285
121 HD21 LEU 16 HD21 LEU 16 6.572 -4.991 -4.852
122 HD22 LEU 16 HD22 LEU 16 6.077 -5.230 -3.169
123 HD23 LEU 16 HD23 LEU 16 5.668 -3.732 -4.009
124 H VAL 17 HN VAL 17 4.655 -6.633 -0.156
125 HA VAL 17 HA VAL 17 6.282 -8.492 -1.676
126 HB VAL 17 HB VAL 17 7.461 -6.944 -0.161
127 HG11 VAL 17 HG11 VAL 17 7.406 -7.189 2.249
128 HG12 VAL 17 HG12 VAL 17 6.186 -8.444 2.088
129 HG13 VAL 17 HG13 VAL 17 5.796 -6.788 1.627
130 HG21 VAL 17 HG21 VAL 17 8.927 -8.523 0.918
131 HG22 VAL 17 HG22 VAL 17 8.494 -9.059 -0.718
132 HG23 VAL 17 HG23 VAL 17 7.722 -9.793 0.697
133 H HIS 18 HN HIS 18 4.127 -8.552 1.068
134 HA HIS 18 HA HIS 18 3.659 -11.360 0.597
135 HB2 HIS 18 HB2 HIS 18 3.826 -11.890 2.837
136 HB3 HIS 18 HB1 HIS 18 5.372 -11.167 2.404
137 HD1 HIS 18 HD1 HIS 18 3.728 -11.454 5.320
138 HD2 HIS 18 HD2 HIS 18 4.507 -8.061 3.099
139 HE1 HIS 18 HE1 HIS 18 3.657 -9.565 6.960
140 HE2 HIS 18 HE2 HIS 18 3.712 -7.544 5.497
141 H SER 19 HN SER 19 2.398 -8.662 0.254
142 HA SER 19 HA SER 19 0.566 -8.306 2.351
143 HB2 SER 19 HB2 SER 19 0.689 -7.008 -0.330
144 HB3 SER 19 HB1 SER 19 -0.065 -6.394 1.143
145 HG SER 19 HG SER 19 1.814 -5.458 1.248
146 H SER 20 HN SER 20 0.437 -9.672 -0.838
147 HA SER 20 HA SER 20 -2.386 -9.723 -1.029
148 HB2 SER 20 HB2 SER 20 -0.327 -11.408 -2.421
149 HB3 SER 20 HB1 SER 20 -2.017 -11.262 -2.916
150 HG SER 20 HG SER 20 -1.598 -9.459 -3.814
151 H ASN 21 HN ASN 21 -0.724 -11.204 1.197
152 HA ASN 21 HA ASN 21 -2.562 -13.469 1.442
153 HB2 ASN 21 HB2 ASN 21 0.338 -13.201 1.973
154 HB3 ASN 21 HB1 ASN 21 -0.610 -14.486 2.757
155 HD21 ASN 21 HD21 ASN 21 1.021 -13.423 -0.100
156 HD22 ASN 21 HD22 ASN 21 0.690 -14.816 -1.049
157 H ASN 22 HN ASN 22 -1.773 -10.460 2.633
158 HA ASN 22 HA ASN 22 -2.172 -11.160 5.437
159 HB2 ASN 22 HB2 ASN 22 0.134 -10.129 4.122
160 HB3 ASN 22 HB1 ASN 22 -0.519 -9.125 5.430
161 HD21 ASN 22 HD21 ASN 22 -1.017 -12.547 5.342
162 HD22 ASN 22 HD22 ASN 22 0.039 -12.970 6.599
163 H PHE 23 HN PHE 23 -2.152 -8.809 2.970
164 HA PHE 23 HA PHE 23 -2.604 -6.507 4.268
165 HB2 PHE 23 HB2 PHE 23 -3.391 -5.646 2.101
166 HB3 PHE 23 HB1 PHE 23 -1.952 -6.645 2.024
167 HD1 PHE 23 HD1 PHE 23 -4.165 -9.042 2.365
168 HD2 PHE 23 HD2 PHE 23 -3.125 -6.047 -0.381
169 HE1 PHE 23 HE1 PHE 23 -5.150 -10.422 0.528
170 HE2 PHE 23 HE2 PHE 23 -4.037 -7.342 -2.222
171 HZ PHE 23 HZ PHE 23 -5.079 -9.550 -1.794
172 H GLY 24 HN GLY 24 -3.836 -6.405 5.798
173 HA2 GLY 24 HA2 GLY 24 -5.618 -6.296 7.142
174 HA3 GLY 24 HA1 GLY 24 -6.656 -5.872 5.823
175 H ALA 25 HN ALA 25 -4.784 -8.775 6.095
176 HA ALA 25 HA ALA 25 -7.175 -10.366 6.425
177 HB1 ALA 25 HB1 ALA 25 -4.356 -11.120 5.661
178 HB2 ALA 25 HB2 ALA 25 -5.683 -10.877 4.534
179 HB3 ALA 25 HB3 ALA 25 -5.734 -12.231 5.683
180 H ILE 26 HN ILE 26 -4.020 -9.652 7.560
181 HA ILE 26 HA ILE 26 -4.596 -10.972 9.992
182 HB ILE 26 HB ILE 26 -2.395 -11.498 9.293
183 HG12 ILE 26 HG12 ILE 26 -2.093 -9.170 11.066
184 HG13 ILE 26 HG11 ILE 26 -2.536 -10.757 11.689
185 HG21 ILE 26 HG21 ILE 26 -2.004 -8.570 8.716
186 HG22 ILE 26 HG22 ILE 26 -2.129 -9.864 7.529
187 HG23 ILE 26 HG23 ILE 26 -0.729 -9.781 8.597
188 HD11 ILE 26 HD11 ILE 26 -0.323 -11.605 10.848
189 HD12 ILE 26 HD12 ILE 26 -0.160 -10.371 12.098
190 HD13 ILE 26 HD13 ILE 26 0.090 -9.951 10.403
191 H LEU 27 HN LEU 27 -3.864 -7.857 8.628
192 HA LEU 27 HA LEU 27 -3.837 -6.226 10.892
193 HB2 LEU 27 HB2 LEU 27 -2.949 -5.114 9.148
194 HB3 LEU 27 HB1 LEU 27 -3.879 -6.066 8.025
195 HG LEU 27 HG LEU 27 -5.781 -4.503 8.288
196 HD11 LEU 27 HD11 LEU 27 -3.882 -2.801 9.857
197 HD12 LEU 27 HD12 LEU 27 -5.324 -3.654 10.464
198 HD13 LEU 27 HD13 LEU 27 -5.498 -2.385 9.244
199 HD21 LEU 27 HD21 LEU 27 -4.802 -2.704 6.991
200 HD22 LEU 27 HD22 LEU 27 -4.241 -4.289 6.459
201 HD23 LEU 27 HD23 LEU 27 -3.189 -3.264 7.433
202 H SER 28 HN SER 28 -6.368 -7.114 8.698
203 HA SER 28 HA SER 28 -8.255 -5.733 10.440
204 HB2 SER 28 HB2 SER 28 -8.477 -6.351 7.531
205 HB3 SER 28 HB1 SER 28 -9.699 -5.560 8.532
206 HG SER 28 HG SER 28 -8.050 -3.988 9.030
207 H SER 29 HN SER 29 -7.268 -8.644 9.677
208 HA SER 29 HA SER 29 -7.869 -10.767 10.205
209 HB2 SER 29 HB2 SER 29 -10.338 -9.535 11.465
210 HB3 SER 29 HB1 SER 29 -9.702 -11.153 11.773
211 HG SER 29 HG SER 29 -9.154 -9.421 13.299
212 H THR 30 HN THR 30 -8.931 -9.217 7.779
213 HA THR 30 HA THR 30 -10.139 -9.387 5.987
214 HB THR 30 HB THR 30 -8.683 -11.248 5.485
215 HG1 THR 30 HG1 THR 30 -11.217 -12.175 4.715
216 HG21 THR 30 HG21 THR 30 -10.699 -13.083 6.794
217 HG22 THR 30 HG22 THR 30 -9.107 -12.663 7.421
218 HG23 THR 30 HG23 THR 30 -9.241 -13.594 5.926
219 H ASN 31 HN ASN 31 -11.717 -9.888 8.635
220 HA ASN 31 HA ASN 31 -14.262 -10.145 7.246
221 HB2 ASN 31 HB2 ASN 31 -13.536 -11.335 9.939
222 HB3 ASN 31 HB1 ASN 31 -15.189 -11.182 9.363
223 HD21 ASN 31 HD21 ASN 31 -13.589 -13.534 10.036
224 HD22 ASN 31 HD22 ASN 31 -13.631 -14.553 8.634
225 H VAL 32 HN VAL 32 -14.266 -8.061 7.064
226 HA VAL 32 HA VAL 32 -14.304 -6.392 9.477
227 HB VAL 32 HB VAL 32 -13.795 -5.673 6.587
228 HG11 VAL 32 HG11 VAL 32 -14.666 -3.764 7.837
229 HG12 VAL 32 HG12 VAL 32 -12.962 -3.516 7.455
230 HG13 VAL 32 HG13 VAL 32 -13.440 -4.001 9.080
231 HG21 VAL 32 HG21 VAL 32 -12.017 -7.052 7.437
232 HG22 VAL 32 HG22 VAL 32 -11.831 -5.994 8.835
233 HG23 VAL 32 HG23 VAL 32 -11.453 -5.397 7.217
234 H GLY 33 HN GLY 33 -16.186 -7.823 7.111
235 HA2 GLY 33 HA2 GLY 33 -18.565 -7.548 7.109
236 HA3 GLY 33 HA1 GLY 33 -18.322 -5.843 7.494
237 H SER 34 HN SER 34 -15.966 -6.375 5.406
238 HA SER 34 HA SER 34 -17.406 -5.257 3.174
239 HB2 SER 34 HB2 SER 34 -14.479 -5.998 3.454
240 HB3 SER 34 HB1 SER 34 -15.197 -5.008 2.183
241 HG SER 34 HG SER 34 -14.566 -3.521 3.522
242 H ASN 35 HN ASN 35 -17.172 -8.147 4.324
243 HA ASN 35 HA ASN 35 -16.525 -9.857 2.126
244 HB2 ASN 35 HB2 ASN 35 -18.220 -10.438 4.564
245 HB3 ASN 35 HB1 ASN 35 -17.404 -11.623 3.545
246 HD21 ASN 35 HD21 ASN 35 -15.124 -11.859 3.775
247 HD22 ASN 35 HD22 ASN 35 -14.305 -11.245 5.162
248 H THR 36 HN THR 36 -19.008 -7.755 2.693
249 HA THR 36 HA THR 36 -21.214 -9.262 1.678
250 HB THR 36 HB THR 36 -22.277 -6.920 1.843
251 HG1 THR 36 HG1 THR 36 -20.279 -6.152 3.583
252 HG21 THR 36 HG21 THR 36 -22.407 -7.027 4.308
253 HG22 THR 36 HG22 THR 36 -21.068 -8.175 4.325
254 HG23 THR 36 HG23 THR 36 -22.608 -8.624 3.594
255 H TYC 37 HN ATY 37 -18.689 -7.743 0.404
256 HA TYC 37 HA ATY 37 -19.978 -6.628 -1.948
257 HB1 TYC 37 HB1 ATY 37 -17.588 -6.210 -2.740
258 HB2 TYC 37 HB2 ATY 37 -17.069 -6.764 -1.155
259 HD1 TYC 37 HD1 ATY 37 -18.426 -4.016 -3.054
260 HD2 TYC 37 HD2 ATY 37 -17.706 -5.451 0.883
261 HE1 TYC 37 HE1 ATY 37 -18.689 -1.732 -2.182
262 HE2 TYC 37 HE2 ATY 37 -17.973 -3.172 1.767
263 HH TYC 37 HH ATY 37 -19.220 -0.606 -0.145
264 HT21 TYC 37 HT21 ATY 37 -17.129 -8.686 -1.944
265 HT22 TYC 37 HT22 ATY 37 -17.722 -9.793 -3.129
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 11.478 6.247 9.909
2 H2 LYS 1 HT2 LYS 1 11.983 4.735 9.404
3 H3 LYS 1 HT3 LYS 1 10.511 4.884 10.219
4 HA LYS 1 HA LYS 1 10.219 4.537 7.855
5 HB2 LYS 1 HB2 LYS 1 8.753 6.424 7.375
6 HB3 LYS 1 HB1 LYS 1 8.582 5.991 9.067
7 HG2 LYS 1 HG2 LYS 1 9.953 7.878 9.725
8 HG3 LYS 1 HG1 LYS 1 10.267 8.268 8.035
9 HD2 LYS 1 HD2 LYS 1 7.842 8.644 7.709
10 HD3 LYS 1 HD1 LYS 1 7.590 8.338 9.427
11 HE2 LYS 1 HE2 LYS 1 8.998 10.219 9.998
12 HE3 LYS 1 HE1 LYS 1 9.349 10.509 8.294
13 HZ1 LYS 1 HZ1 LYS 1 7.690 12.017 9.096
14 HZ2 LYS 1 HZ2 LYS 1 6.690 10.766 9.610
15 HZ3 LYS 1 HZ3 LYS 1 6.981 11.000 7.966
16 H CYS 2 HN CYS 2 10.243 5.975 5.702
17 HA CYS 2 HA CYS 2 12.520 7.658 5.533
18 HB2 CYS 2 HB2 CYS 2 13.507 6.243 3.682
19 HB3 CYS 2 HB1 CYS 2 13.761 5.670 5.336
20 H ASN 3 HN ASN 3 12.758 8.531 3.312
21 HA ASN 3 HA ASN 3 10.232 8.490 1.845
22 HB2 ASN 3 HB2 ASN 3 9.975 10.917 2.011
23 HB3 ASN 3 HB1 ASN 3 9.936 10.161 3.594
24 HD21 ASN 3 HD21 ASN 3 11.580 12.365 1.546
25 HD22 ASN 3 HD22 ASN 3 12.755 12.900 2.692
26 H THR 4 HN THR 4 13.232 7.948 1.435
27 HA THR 4 HA THR 4 13.666 9.772 -0.814
28 HB THR 4 HB THR 4 15.585 9.620 0.722
29 HG1 THR 4 HG1 THR 4 16.724 9.790 -1.038
30 HG21 THR 4 HG21 THR 4 15.157 7.364 1.606
31 HG22 THR 4 HG22 THR 4 16.816 7.533 1.033
32 HG23 THR 4 HG23 THR 4 15.623 6.678 0.053
33 H ALA 5 HN ALA 5 14.671 8.707 -2.722
34 HA ALA 5 HA ALA 5 12.872 6.751 -3.777
35 HB1 ALA 5 HB1 ALA 5 14.188 6.897 -5.833
36 HB2 ALA 5 HB2 ALA 5 15.430 7.814 -4.976
37 HB3 ALA 5 HB3 ALA 5 13.819 8.498 -5.196
38 H THR 6 HN THR 6 15.836 6.607 -2.160
39 HA THR 6 HA THR 6 16.597 3.995 -3.033
40 HB THR 6 HB THR 6 17.440 5.595 -0.608
41 HG1 THR 6 HG1 THR 6 18.891 5.381 -3.007
42 HG21 THR 6 HG21 THR 6 18.783 3.295 -2.058
43 HG22 THR 6 HG22 THR 6 18.069 3.249 -0.452
44 HG23 THR 6 HG23 THR 6 19.511 4.228 -0.741
45 H CYS 7 HN CYS 7 14.169 5.171 -0.917
46 HA CYS 7 HA CYS 7 14.291 2.643 0.598
47 HB2 CYS 7 HB2 CYS 7 15.275 4.682 1.602
48 HB3 CYS 7 HB1 CYS 7 13.662 5.227 1.802
49 H ALA 8 HN ALA 8 12.253 5.436 -0.306
50 HA ALA 8 HA ALA 8 9.900 4.466 0.851
51 HB1 ALA 8 HB1 ALA 8 10.161 6.760 0.120
52 HB2 ALA 8 HB2 ALA 8 8.768 6.016 -0.675
53 HB3 ALA 8 HB3 ALA 8 10.284 6.239 -1.563
54 H THR 9 HN THR 9 11.666 3.764 -1.914
55 HA THR 9 HA THR 9 9.701 2.465 -3.533
56 HB THR 9 HB THR 9 11.762 1.457 -4.551
57 HG1 THR 9 HG1 THR 9 13.683 2.760 -3.822
58 HG21 THR 9 HG21 THR 9 12.405 3.620 -5.586
59 HG22 THR 9 HG22 THR 9 11.518 4.467 -4.318
60 HG23 THR 9 HG23 THR 9 10.656 3.437 -5.461
61 H GLN 10 HN GLN 10 11.820 1.567 -1.054
62 HA GLN 10 HA GLN 10 11.599 -1.287 -1.283
63 HB2 GLN 10 HB2 GLN 10 12.454 0.286 1.152
64 HB3 GLN 10 HB1 GLN 10 12.817 -1.398 0.803
65 HG2 GLN 10 HG2 GLN 10 13.828 1.003 -0.691
66 HG3 GLN 10 HG1 GLN 10 14.748 -0.010 0.418
67 HE21 GLN 10 HE21 GLN 10 15.001 0.691 -2.399
68 HE22 GLN 10 HE22 GLN 10 15.191 -0.786 -3.255
69 H ARG 11 HN ARG 11 10.177 1.272 0.519
70 HA ARG 11 HA ARG 11 8.527 -0.296 2.230
71 HB2 ARG 11 HB2 ARG 11 7.796 2.424 1.109
72 HB3 ARG 11 HB1 ARG 11 7.230 1.709 2.605
73 HG2 ARG 11 HG2 ARG 11 10.034 2.651 2.048
74 HG3 ARG 11 HG1 ARG 11 8.822 3.510 2.996
75 HD2 ARG 11 HD2 ARG 11 10.069 0.847 3.618
76 HD3 ARG 11 HD1 ARG 11 10.377 2.400 4.410
77 HE ARG 11 HE ARG 11 7.631 1.797 4.531
78 HH11 ARG 11 HH11 ARG 11 10.681 0.851 6.070
79 HH12 ARG 11 HH12 ARG 11 9.965 0.309 7.502
80 HH21 ARG 11 HH21 ARG 11 6.637 1.069 6.426
81 HH22 ARG 11 HH22 ARG 11 7.536 0.430 7.730
82 H LEU 12 HN LEU 12 8.123 1.126 -0.947
83 HA LEU 12 HA LEU 12 5.545 0.310 -1.597
84 HB2 LEU 12 HB2 LEU 12 8.047 0.808 -3.033
85 HB3 LEU 12 HB1 LEU 12 6.727 0.417 -4.002
86 HG LEU 12 HG LEU 12 7.120 2.882 -2.287
87 HD11 LEU 12 HD11 LEU 12 8.093 2.918 -4.531
88 HD12 LEU 12 HD12 LEU 12 6.776 4.073 -4.370
89 HD13 LEU 12 HD13 LEU 12 6.510 2.549 -5.212
90 HD21 LEU 12 HD21 LEU 12 4.831 2.194 -1.918
91 HD22 LEU 12 HD22 LEU 12 4.573 2.036 -3.655
92 HD23 LEU 12 HD23 LEU 12 4.872 3.624 -2.948
93 H ALA 13 HN ALA 13 8.660 -1.292 -1.802
94 HA ALA 13 HA ALA 13 7.705 -3.525 -3.189
95 HB1 ALA 13 HB1 ALA 13 10.195 -3.289 -1.497
96 HB2 ALA 13 HB2 ALA 13 10.072 -2.919 -3.216
97 HB3 ALA 13 HB3 ALA 13 9.862 -4.577 -2.654
98 H ASN 14 HN ASN 14 7.948 -2.658 0.154
99 HA ASN 14 HA ASN 14 7.441 -5.314 1.221
100 HB2 ASN 14 HB2 ASN 14 7.565 -2.621 2.589
101 HB3 ASN 14 HB1 ASN 14 7.199 -4.123 3.423
102 HD21 ASN 14 HD21 ASN 14 9.547 -3.964 0.870
103 HD22 ASN 14 HD22 ASN 14 10.948 -4.154 1.840
104 H PHE 15 HN PHE 15 5.534 -3.021 -0.196
105 HA PHE 15 HA PHE 15 3.282 -3.407 1.537
106 HB2 PHE 15 HB2 PHE 15 3.009 -1.249 0.915
107 HB3 PHE 15 HB1 PHE 15 4.247 -1.395 -0.311
108 HD1 PHE 15 HD1 PHE 15 3.650 -1.938 -2.593
109 HD2 PHE 15 HD2 PHE 15 0.673 -1.339 0.379
110 HE1 PHE 15 HE1 PHE 15 1.999 -1.665 -4.344
111 HE2 PHE 15 HE2 PHE 15 -1.027 -1.052 -1.377
112 HZ PHE 15 HZ PHE 15 -0.377 -1.208 -3.748
113 H LEU 16 HN LEU 16 4.783 -4.711 -1.198
114 HA LEU 16 HA LEU 16 2.386 -6.163 -1.853
115 HB2 LEU 16 HB2 LEU 16 2.318 -5.279 -3.771
116 HB3 LEU 16 HB1 LEU 16 3.426 -4.131 -3.209
117 HG LEU 16 HG LEU 16 4.429 -6.554 -4.717
118 HD11 LEU 16 HD11 LEU 16 2.942 -5.266 -6.166
119 HD12 LEU 16 HD12 LEU 16 4.626 -5.040 -6.649
120 HD13 LEU 16 HD13 LEU 16 3.793 -3.786 -5.727
121 HD21 LEU 16 HD21 LEU 16 6.415 -5.113 -5.010
122 HD22 LEU 16 HD22 LEU 16 6.063 -5.421 -3.306
123 HD23 LEU 16 HD23 LEU 16 5.616 -3.881 -4.029
124 H VAL 17 HN VAL 17 4.843 -6.776 -0.282
125 HA VAL 17 HA VAL 17 6.697 -8.230 -1.932
126 HB VAL 17 HB VAL 17 7.539 -6.927 -0.082
127 HG11 VAL 17 HG11 VAL 17 7.112 -7.536 2.274
128 HG12 VAL 17 HG12 VAL 17 5.943 -8.747 1.700
129 HG13 VAL 17 HG13 VAL 17 5.634 -7.061 1.421
130 HG21 VAL 17 HG21 VAL 17 8.961 -8.576 1.031
131 HG22 VAL 17 HG22 VAL 17 8.834 -8.897 -0.702
132 HG23 VAL 17 HG23 VAL 17 7.909 -9.867 0.452
133 H HIS 18 HN HIS 18 4.416 -9.034 0.545
134 HA HIS 18 HA HIS 18 4.214 -11.711 -0.527
135 HB2 HIS 18 HB2 HIS 18 3.999 -12.567 1.659
136 HB3 HIS 18 HB1 HIS 18 5.625 -11.896 1.506
137 HD1 HIS 18 HD1 HIS 18 4.471 -12.554 4.288
138 HD2 HIS 18 HD2 HIS 18 3.999 -8.844 2.498
139 HE1 HIS 18 HE1 HIS 18 4.093 -10.954 6.160
140 HE2 HIS 18 HE2 HIS 18 3.514 -8.795 5.026
141 H SER 19 HN SER 19 2.959 -9.189 -0.772
142 HA SER 19 HA SER 19 0.464 -9.586 0.640
143 HB2 SER 19 HB2 SER 19 1.723 -7.175 -0.477
144 HB3 SER 19 HB1 SER 19 0.160 -7.197 0.315
145 HG SER 19 HG SER 19 1.156 -7.462 2.233
146 H SER 20 HN SER 20 1.516 -10.511 -1.981
147 HA SER 20 HA SER 20 0.671 -9.064 -4.171
148 HB2 SER 20 HB2 SER 20 1.018 -12.042 -3.984
149 HB3 SER 20 HB1 SER 20 1.180 -11.035 -5.428
150 HG SER 20 HG SER 20 2.943 -10.055 -4.572
151 H ASN 21 HN ASN 21 -1.111 -10.925 -2.027
152 HA ASN 21 HA ASN 21 -3.487 -11.091 -3.771
153 HB2 ASN 21 HB2 ASN 21 -2.400 -12.809 -1.613
154 HB3 ASN 21 HB1 ASN 21 -4.087 -12.995 -2.136
155 HD21 ASN 21 HD21 ASN 21 -0.773 -13.590 -2.757
156 HD22 ASN 21 HD22 ASN 21 -0.957 -14.576 -4.166
157 H ASN 22 HN ASN 22 -2.350 -9.028 -1.687
158 HA ASN 22 HA ASN 22 -4.588 -8.993 0.178
159 HB2 ASN 22 HB2 ASN 22 -1.806 -9.471 0.632
160 HB3 ASN 22 HB1 ASN 22 -2.436 -8.144 1.590
161 HD21 ASN 22 HD21 ASN 22 -4.381 -10.812 0.460
162 HD22 ASN 22 HD22 ASN 22 -4.608 -11.555 1.972
163 H PHE 23 HN PHE 23 -1.931 -7.405 -1.270
164 HA PHE 23 HA PHE 23 -2.181 -5.008 -0.015
165 HB2 PHE 23 HB2 PHE 23 -0.413 -4.269 -1.397
166 HB3 PHE 23 HB1 PHE 23 -0.315 -6.006 -1.233
167 HD1 PHE 23 HD1 PHE 23 -0.647 -3.377 -3.651
168 HD2 PHE 23 HD2 PHE 23 -0.908 -7.385 -2.738
169 HE1 PHE 23 HE1 PHE 23 -0.395 -3.889 -6.069
170 HE2 PHE 23 HE2 PHE 23 -0.671 -8.045 -4.921
171 HZ PHE 23 HZ PHE 23 -0.401 -6.268 -6.787
172 H GLY 24 HN GLY 24 -3.751 -3.963 0.114
173 HA2 GLY 24 HA2 GLY 24 -5.570 -2.722 -0.207
174 HA3 GLY 24 HA1 GLY 24 -5.156 -2.365 -1.853
175 H ALA 25 HN ALA 25 -5.606 -5.526 -0.537
176 HA ALA 25 HA ALA 25 -8.169 -5.786 -1.880
177 HB1 ALA 25 HB1 ALA 25 -7.758 -8.232 -1.546
178 HB2 ALA 25 HB2 ALA 25 -6.230 -7.814 -0.766
179 HB3 ALA 25 HB3 ALA 25 -6.469 -7.446 -2.474
180 H ILE 26 HN ILE 26 -6.321 -6.429 0.952
181 HA ILE 26 HA ILE 26 -8.642 -6.557 2.543
182 HB ILE 26 HB ILE 26 -7.067 -8.266 3.065
183 HG12 ILE 26 HG12 ILE 26 -6.572 -6.116 4.976
184 HG13 ILE 26 HG11 ILE 26 -8.097 -6.994 5.019
185 HG21 ILE 26 HG21 ILE 26 -5.093 -7.380 2.036
186 HG22 ILE 26 HG22 ILE 26 -4.693 -7.682 3.739
187 HG23 ILE 26 HG23 ILE 26 -5.070 -6.047 3.169
188 HD11 ILE 26 HD11 ILE 26 -6.737 -9.089 5.474
189 HD12 ILE 26 HD12 ILE 26 -6.634 -7.883 6.758
190 HD13 ILE 26 HD13 ILE 26 -5.311 -8.060 5.605
191 H LEU 27 HN LEU 27 -5.800 -4.527 1.978
192 HA LEU 27 HA LEU 27 -6.113 -2.717 4.071
193 HB2 LEU 27 HB2 LEU 27 -4.126 -2.091 3.119
194 HB3 LEU 27 HB1 LEU 27 -4.587 -3.001 1.704
195 HG LEU 27 HG LEU 27 -5.579 -0.978 0.687
196 HD11 LEU 27 HD11 LEU 27 -4.525 0.509 3.062
197 HD12 LEU 27 HD12 LEU 27 -6.223 0.253 2.569
198 HD13 LEU 27 HD13 LEU 27 -5.136 1.181 1.533
199 HD21 LEU 27 HD21 LEU 27 -3.295 -1.583 0.176
200 HD22 LEU 27 HD22 LEU 27 -2.722 -0.671 1.572
201 HD23 LEU 27 HD23 LEU 27 -3.481 0.169 0.220
202 H SER 28 HN SER 28 -7.307 -2.732 0.835
203 HA SER 28 HA SER 28 -8.844 -0.372 1.289
204 HB2 SER 28 HB2 SER 28 -8.787 -2.296 -0.987
205 HB3 SER 28 HB1 SER 28 -9.639 -0.741 -1.033
206 HG SER 28 HG SER 28 -7.502 0.169 -0.496
207 H SER 29 HN SER 29 -9.199 -3.649 1.672
208 HA SER 29 HA SER 29 -10.724 -5.062 2.538
209 HB2 SER 29 HB2 SER 29 -12.197 -2.545 3.278
210 HB3 SER 29 HB1 SER 29 -12.468 -4.136 3.990
211 HG SER 29 HG SER 29 -9.864 -3.672 4.193
212 H THR 30 HN THR 30 -11.028 -3.944 -0.205
213 HA THR 30 HA THR 30 -13.813 -3.910 -0.698
214 HB THR 30 HB THR 30 -12.152 -2.580 -2.016
215 HG1 THR 30 HG1 THR 30 -13.359 -4.057 -4.000
216 HG21 THR 30 HG21 THR 30 -10.428 -4.309 -2.272
217 HG22 THR 30 HG22 THR 30 -10.922 -3.702 -3.853
218 HG23 THR 30 HG23 THR 30 -11.516 -5.262 -3.277
219 H ASN 31 HN ASN 31 -11.534 -6.370 -0.317
220 HA ASN 31 HA ASN 31 -13.321 -8.314 -1.649
221 HB2 ASN 31 HB2 ASN 31 -10.358 -8.558 -1.031
222 HB3 ASN 31 HB1 ASN 31 -11.346 -9.876 -1.640
223 HD21 ASN 31 HD21 ASN 31 -9.013 -8.664 -2.785
224 HD22 ASN 31 HD22 ASN 31 -9.449 -8.079 -4.342
225 H VAL 32 HN VAL 32 -13.050 -7.011 1.121
226 HA VAL 32 HA VAL 32 -12.888 -9.458 2.753
227 HB VAL 32 HB VAL 32 -12.827 -6.563 3.656
228 HG11 VAL 32 HG11 VAL 32 -12.241 -9.090 5.193
229 HG12 VAL 32 HG12 VAL 32 -13.656 -8.056 5.393
230 HG13 VAL 32 HG13 VAL 32 -12.050 -7.442 5.794
231 HG21 VAL 32 HG21 VAL 32 -10.891 -7.134 2.331
232 HG22 VAL 32 HG22 VAL 32 -10.559 -8.524 3.373
233 HG23 VAL 32 HG23 VAL 32 -10.451 -6.881 4.021
234 H GLY 33 HN GLY 33 -14.996 -6.929 1.691
235 HA2 GLY 33 HA2 GLY 33 -17.388 -7.891 2.011
236 HA3 GLY 33 HA1 GLY 33 -16.984 -7.632 3.703
237 H SER 34 HN SER 34 -15.330 -5.265 2.678
238 HA SER 34 HA SER 34 -17.394 -3.345 3.138
239 HB2 SER 34 HB2 SER 34 -15.097 -2.983 3.986
240 HB3 SER 34 HB1 SER 34 -14.495 -2.941 2.335
241 HG SER 34 HG SER 34 -16.529 -1.164 2.769
242 H ASN 35 HN ASN 35 -15.333 -4.195 0.412
243 HA ASN 35 HA ASN 35 -15.480 -3.906 -1.834
244 HB2 ASN 35 HB2 ASN 35 -17.515 -5.233 -1.533
245 HB3 ASN 35 HB1 ASN 35 -18.438 -3.771 -1.256
246 HD21 ASN 35 HD21 ASN 35 -15.917 -4.249 -3.784
247 HD22 ASN 35 HD22 ASN 35 -17.026 -4.032 -5.078
248 H THR 36 HN THR 36 -14.399 -1.992 -2.038
249 HA THR 36 HA THR 36 -15.966 0.438 -1.940
250 HB THR 36 HB THR 36 -13.559 1.420 -1.984
251 HG1 THR 36 HG1 THR 36 -12.013 0.027 -1.275
252 HG21 THR 36 HG21 THR 36 -14.581 -0.123 0.416
253 HG22 THR 36 HG22 THR 36 -15.061 1.515 -0.036
254 HG23 THR 36 HG23 THR 36 -13.403 1.190 0.464
255 H TYC 37 HN ATY 37 -15.140 -1.735 -4.046
256 HA TYC 37 HA ATY 37 -14.980 0.192 -6.249
257 HB1 TYC 37 HB1 ATY 37 -13.533 -1.415 -7.500
258 HB2 TYC 37 HB2 ATY 37 -13.487 -2.439 -6.074
259 HD1 TYC 37 HD1 ATY 37 -12.012 -2.003 -4.307
260 HD2 TYC 37 HD2 ATY 37 -12.478 0.863 -7.396
261 HE1 TYC 37 HE1 ATY 37 -10.090 -0.770 -3.429
262 HE2 TYC 37 HE2 ATY 37 -10.548 2.114 -6.535
263 HH TYC 37 HH ATY 37 -9.376 2.369 -4.339
264 HT21 TYC 37 HT21 ATY 37 -17.176 0.019 -6.479
265 HT22 TYC 37 HT22 ATY 37 -17.950 -1.397 -7.109
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 11.146 6.868 9.858
2 H2 LYS 1 HT2 LYS 1 11.560 5.358 9.286
3 H3 LYS 1 HT3 LYS 1 10.141 5.546 10.187
4 HA LYS 1 HA LYS 1 9.704 5.315 7.833
5 HB2 LYS 1 HB2 LYS 1 8.206 6.741 9.228
6 HB3 LYS 1 HB1 LYS 1 9.218 8.125 8.853
7 HG2 LYS 1 HG2 LYS 1 8.606 7.975 6.508
8 HG3 LYS 1 HG1 LYS 1 7.657 6.528 6.830
9 HD2 LYS 1 HD2 LYS 1 6.186 8.444 6.661
10 HD3 LYS 1 HD1 LYS 1 6.199 7.850 8.320
11 HE2 LYS 1 HE2 LYS 1 7.768 9.643 8.937
12 HE3 LYS 1 HE1 LYS 1 7.747 10.218 7.269
13 HZ1 LYS 1 HZ1 LYS 1 6.236 11.509 8.666
14 HZ2 LYS 1 HZ2 LYS 1 5.413 10.118 9.100
15 HZ3 LYS 1 HZ3 LYS 1 5.367 10.649 7.514
16 H CYS 2 HN CYS 2 10.305 5.782 5.726
17 HA CYS 2 HA CYS 2 12.216 7.932 5.406
18 HB2 CYS 2 HB2 CYS 2 13.422 6.466 3.762
19 HB3 CYS 2 HB1 CYS 2 13.577 5.987 5.450
20 H ASN 3 HN ASN 3 12.371 8.746 3.226
21 HA ASN 3 HA ASN 3 9.954 8.338 1.626
22 HB2 ASN 3 HB2 ASN 3 9.442 10.740 1.587
23 HB3 ASN 3 HB1 ASN 3 9.401 10.132 3.236
24 HD21 ASN 3 HD21 ASN 3 10.997 12.191 0.985
25 HD22 ASN 3 HD22 ASN 3 12.015 13.016 2.111
26 H THR 4 HN THR 4 12.962 7.996 1.439
27 HA THR 4 HA THR 4 13.456 9.733 -0.853
28 HB THR 4 HB THR 4 15.297 9.724 0.770
29 HG1 THR 4 HG1 THR 4 16.701 9.681 -0.758
30 HG21 THR 4 HG21 THR 4 15.447 6.758 0.287
31 HG22 THR 4 HG22 THR 4 14.882 7.516 1.777
32 HG23 THR 4 HG23 THR 4 16.569 7.695 1.277
33 H ALA 5 HN ALA 5 14.376 8.776 -2.737
34 HA ALA 5 HA ALA 5 12.789 6.704 -3.808
35 HB1 ALA 5 HB1 ALA 5 13.707 8.510 -5.176
36 HB2 ALA 5 HB2 ALA 5 14.179 6.929 -5.808
37 HB3 ALA 5 HB3 ALA 5 15.335 7.893 -4.885
38 H THR 6 HN THR 6 15.736 6.667 -2.123
39 HA THR 6 HA THR 6 16.579 4.095 -3.061
40 HB THR 6 HB THR 6 17.473 5.800 -0.736
41 HG1 THR 6 HG1 THR 6 18.621 5.468 -3.302
42 HG21 THR 6 HG21 THR 6 18.127 3.487 -0.467
43 HG22 THR 6 HG22 THR 6 19.550 4.478 -0.820
44 HG23 THR 6 HG23 THR 6 18.838 3.453 -2.083
45 H CYS 7 HN CYS 7 14.230 5.161 -0.816
46 HA CYS 7 HA CYS 7 14.562 2.704 0.813
47 HB2 CYS 7 HB2 CYS 7 15.239 4.994 1.742
48 HB3 CYS 7 HB1 CYS 7 13.576 5.261 1.810
49 H ALA 8 HN ALA 8 12.320 5.323 -0.106
50 HA ALA 8 HA ALA 8 10.064 4.139 1.032
51 HB1 ALA 8 HB1 ALA 8 10.260 6.114 -1.242
52 HB2 ALA 8 HB2 ALA 8 10.215 6.500 0.482
53 HB3 ALA 8 HB3 ALA 8 8.814 5.752 -0.286
54 H THR 9 HN THR 9 11.806 3.678 -1.810
55 HA THR 9 HA THR 9 9.792 2.434 -3.425
56 HB THR 9 HB THR 9 11.796 1.520 -4.627
57 HG1 THR 9 HG1 THR 9 13.635 3.140 -3.842
58 HG21 THR 9 HG21 THR 9 12.346 3.736 -5.586
59 HG22 THR 9 HG22 THR 9 11.555 4.504 -4.212
60 HG23 THR 9 HG23 THR 9 10.607 3.538 -5.348
61 H GLN 10 HN GLN 10 12.008 1.451 -1.096
62 HA GLN 10 HA GLN 10 11.785 -1.393 -1.448
63 HB2 GLN 10 HB2 GLN 10 12.702 0.067 1.029
64 HB3 GLN 10 HB1 GLN 10 13.107 -1.585 0.557
65 HG2 GLN 10 HG2 GLN 10 14.022 0.975 -0.733
66 HG3 GLN 10 HG1 GLN 10 14.982 -0.124 0.247
67 HE21 GLN 10 HE21 GLN 10 15.254 0.868 -2.451
68 HE22 GLN 10 HE22 GLN 10 15.459 -0.519 -3.466
69 H ARG 11 HN ARG 11 10.443 1.118 0.523
70 HA ARG 11 HA ARG 11 8.814 -0.489 2.212
71 HB2 ARG 11 HB2 ARG 11 8.144 2.303 1.221
72 HB3 ARG 11 HB1 ARG 11 7.501 1.531 2.655
73 HG2 ARG 11 HG2 ARG 11 10.338 2.424 2.218
74 HG3 ARG 11 HG1 ARG 11 9.131 3.212 3.237
75 HD2 ARG 11 HD2 ARG 11 10.320 0.491 3.572
76 HD3 ARG 11 HD1 ARG 11 10.642 1.920 4.557
77 HE ARG 11 HE ARG 11 7.867 1.318 4.550
78 HH11 ARG 11 HH11 ARG 11 10.899 0.222 5.955
79 HH12 ARG 11 HH12 ARG 11 10.193 -0.425 7.362
80 HH21 ARG 11 HH21 ARG 11 6.854 0.432 6.428
81 HH22 ARG 11 HH22 ARG 11 7.780 -0.301 7.650
82 H LEU 12 HN LEU 12 8.316 1.072 -0.873
83 HA LEU 12 HA LEU 12 5.704 0.350 -1.429
84 HB2 LEU 12 HB2 LEU 12 8.155 0.827 -2.959
85 HB3 LEU 12 HB1 LEU 12 6.781 0.521 -3.883
86 HG LEU 12 HG LEU 12 7.336 2.888 -2.086
87 HD11 LEU 12 HD11 LEU 12 6.912 4.194 -4.094
88 HD12 LEU 12 HD12 LEU 12 6.579 2.719 -4.994
89 HD13 LEU 12 HD13 LEU 12 8.195 3.020 -4.374
90 HD21 LEU 12 HD21 LEU 12 5.041 2.281 -1.598
91 HD22 LEU 12 HD22 LEU 12 4.684 2.158 -3.316
92 HD23 LEU 12 HD23 LEU 12 5.063 3.728 -2.609
93 H ALA 13 HN ALA 13 8.768 -1.305 -1.970
94 HA ALA 13 HA ALA 13 7.664 -3.476 -3.323
95 HB1 ALA 13 HB1 ALA 13 9.818 -4.604 -2.957
96 HB2 ALA 13 HB2 ALA 13 10.252 -3.366 -1.776
97 HB3 ALA 13 HB3 ALA 13 10.042 -2.932 -3.471
98 H ASN 14 HN ASN 14 8.243 -2.803 0.040
99 HA ASN 14 HA ASN 14 7.593 -5.449 1.025
100 HB2 ASN 14 HB2 ASN 14 7.852 -2.833 2.495
101 HB3 ASN 14 HB1 ASN 14 7.448 -4.371 3.252
102 HD21 ASN 14 HD21 ASN 14 9.792 -4.070 0.707
103 HD22 ASN 14 HD22 ASN 14 11.173 -4.392 1.674
104 H PHE 15 HN PHE 15 5.669 -3.026 -0.239
105 HA PHE 15 HA PHE 15 3.598 -3.249 1.728
106 HB2 PHE 15 HB2 PHE 15 3.446 -1.086 1.077
107 HB3 PHE 15 HB1 PHE 15 4.471 -1.384 -0.317
108 HD1 PHE 15 HD1 PHE 15 0.968 -1.427 0.909
109 HD2 PHE 15 HD2 PHE 15 3.544 -1.547 -2.475
110 HE1 PHE 15 HE1 PHE 15 -0.971 -1.100 -0.574
111 HE2 PHE 15 HE2 PHE 15 1.626 -1.227 -3.964
112 HZ PHE 15 HZ PHE 15 -0.647 -1.002 -3.017
113 H LEU 16 HN LEU 16 4.688 -4.470 -1.264
114 HA LEU 16 HA LEU 16 2.162 -5.829 -1.552
115 HB2 LEU 16 HB2 LEU 16 1.939 -5.059 -3.542
116 HB3 LEU 16 HB1 LEU 16 3.012 -3.860 -3.025
117 HG LEU 16 HG LEU 16 4.057 -6.215 -4.598
118 HD11 LEU 16 HD11 LEU 16 2.465 -4.961 -5.963
119 HD12 LEU 16 HD12 LEU 16 4.120 -4.689 -6.511
120 HD13 LEU 16 HD13 LEU 16 3.296 -3.457 -5.559
121 HD21 LEU 16 HD21 LEU 16 5.184 -3.507 -3.936
122 HD22 LEU 16 HD22 LEU 16 5.960 -4.718 -4.954
123 HD23 LEU 16 HD23 LEU 16 5.706 -5.036 -3.235
124 H VAL 17 HN VAL 17 4.965 -6.423 -0.472
125 HA VAL 17 HA VAL 17 6.197 -8.323 -2.161
126 HB VAL 17 HB VAL 17 7.385 -7.042 -0.435
127 HG11 VAL 17 HG11 VAL 17 5.789 -6.983 1.317
128 HG12 VAL 17 HG12 VAL 17 7.278 -7.699 1.949
129 HG13 VAL 17 HG13 VAL 17 5.886 -8.717 1.541
130 HG21 VAL 17 HG21 VAL 17 8.494 -8.993 -1.228
131 HG22 VAL 17 HG22 VAL 17 7.574 -10.023 -0.136
132 HG23 VAL 17 HG23 VAL 17 8.751 -8.865 0.515
133 H HIS 18 HN HIS 18 4.048 -8.592 0.538
134 HA HIS 18 HA HIS 18 3.260 -11.282 -0.278
135 HB2 HIS 18 HB2 HIS 18 4.041 -10.556 2.567
136 HB3 HIS 18 HB1 HIS 18 3.109 -11.976 2.141
137 HD1 HIS 18 HD1 HIS 18 4.418 -14.036 1.670
138 HD2 HIS 18 HD2 HIS 18 6.713 -10.606 1.488
139 HE1 HIS 18 HE1 HIS 18 6.775 -14.832 1.435
140 HE2 HIS 18 HE2 HIS 18 8.156 -12.738 1.585
141 H SER 19 HN SER 19 2.800 -8.750 2.081
142 HA SER 19 HA SER 19 1.013 -7.368 2.578
143 HB2 SER 19 HB2 SER 19 -0.166 -8.613 0.121
144 HB3 SER 19 HB1 SER 19 -0.750 -7.112 0.880
145 HG SER 19 HG SER 19 1.222 -6.164 0.281
146 H SER 20 HN SER 20 1.054 -10.557 3.011
147 HA SER 20 HA SER 20 -1.492 -11.551 3.244
148 HB2 SER 20 HB2 SER 20 0.898 -12.178 4.965
149 HB3 SER 20 HB1 SER 20 -0.461 -13.243 4.580
150 HG SER 20 HG SER 20 0.180 -13.354 2.516
151 H ASN 21 HN ASN 21 0.314 -9.548 5.389
152 HA ASN 21 HA ASN 21 -1.032 -9.646 7.762
153 HB2 ASN 21 HB2 ASN 21 1.078 -8.394 6.911
154 HB3 ASN 21 HB1 ASN 21 -0.068 -7.087 6.611
155 HD21 ASN 21 HD21 ASN 21 1.473 -9.023 8.851
156 HD22 ASN 21 HD22 ASN 21 1.038 -8.162 10.261
157 H ASN 22 HN ASN 22 -1.723 -7.947 4.795
158 HA ASN 22 HA ASN 22 -4.043 -6.683 6.054
159 HB2 ASN 22 HB2 ASN 22 -2.102 -6.016 4.012
160 HB3 ASN 22 HB1 ASN 22 -3.574 -5.016 4.028
161 HD21 ASN 22 HD21 ASN 22 -3.318 -5.510 7.162
162 HD22 ASN 22 HD22 ASN 22 -2.104 -4.434 7.662
163 H PHE 23 HN PHE 23 -3.198 -9.165 4.554
164 HA PHE 23 HA PHE 23 -5.430 -9.357 2.693
165 HB2 PHE 23 HB2 PHE 23 -2.730 -10.012 2.808
166 HB3 PHE 23 HB1 PHE 23 -3.502 -11.498 2.448
167 HD1 PHE 23 HD1 PHE 23 -2.910 -8.028 1.599
168 HD2 PHE 23 HD2 PHE 23 -4.443 -11.686 0.149
169 HE1 PHE 23 HE1 PHE 23 -2.925 -7.091 -0.624
170 HE2 PHE 23 HE2 PHE 23 -4.477 -10.773 -2.135
171 HZ PHE 23 HZ PHE 23 -3.716 -8.465 -2.542
172 H GLY 24 HN GLY 24 -4.798 -9.783 5.724
173 HA2 GLY 24 HA2 GLY 24 -6.795 -10.981 6.712
174 HA3 GLY 24 HA1 GLY 24 -6.135 -12.434 6.016
175 H ALA 25 HN ALA 25 -4.627 -9.718 7.750
176 HA ALA 25 HA ALA 25 -4.174 -11.556 9.975
177 HB1 ALA 25 HB1 ALA 25 -2.344 -9.904 10.599
178 HB2 ALA 25 HB2 ALA 25 -2.674 -9.098 9.045
179 HB3 ALA 25 HB3 ALA 25 -2.081 -10.747 9.060
180 H ILE 26 HN ILE 26 -4.634 -8.288 9.013
181 HA ILE 26 HA ILE 26 -5.921 -7.506 11.346
182 HB ILE 26 HB ILE 26 -4.680 -5.897 10.123
183 HG12 ILE 26 HG12 ILE 26 -7.502 -5.453 9.576
184 HG13 ILE 26 HG11 ILE 26 -6.819 -5.131 11.169
185 HG21 ILE 26 HG21 ILE 26 -4.730 -6.866 7.905
186 HG22 ILE 26 HG22 ILE 26 -5.291 -5.195 7.805
187 HG23 ILE 26 HG23 ILE 26 -6.452 -6.525 7.762
188 HD11 ILE 26 HD11 ILE 26 -5.362 -3.387 10.088
189 HD12 ILE 26 HD12 ILE 26 -7.084 -3.020 9.961
190 HD13 ILE 26 HD13 ILE 26 -6.218 -3.676 8.574
191 H LEU 27 HN LEU 27 -6.887 -8.687 8.214
192 HA LEU 27 HA LEU 27 -9.620 -7.952 8.514
193 HB2 LEU 27 HB2 LEU 27 -9.530 -8.100 6.273
194 HB3 LEU 27 HB1 LEU 27 -7.888 -8.644 6.470
195 HG LEU 27 HG LEU 27 -8.672 -11.017 6.367
196 HD11 LEU 27 HD11 LEU 27 -10.828 -11.517 5.477
197 HD12 LEU 27 HD12 LEU 27 -11.337 -9.823 5.692
198 HD13 LEU 27 HD13 LEU 27 -10.887 -10.825 7.093
199 HD21 LEU 27 HD21 LEU 27 -9.380 -9.267 4.027
200 HD22 LEU 27 HD22 LEU 27 -9.101 -11.004 3.964
201 HD23 LEU 27 HD23 LEU 27 -7.784 -9.920 4.405
202 H SER 28 HN SER 28 -7.761 -10.841 8.631
203 HA SER 28 HA SER 28 -10.005 -12.421 9.065
204 HB2 SER 28 HB2 SER 28 -7.113 -13.033 9.560
205 HB3 SER 28 HB1 SER 28 -8.393 -14.258 9.513
206 HG SER 28 HG SER 28 -8.781 -13.679 7.384
207 H SER 29 HN SER 29 -7.444 -11.199 11.226
208 HA SER 29 HA SER 29 -7.181 -10.922 13.386
209 HB2 SER 29 HB2 SER 29 -10.200 -10.960 13.536
210 HB3 SER 29 HB1 SER 29 -9.127 -10.342 14.798
211 HG SER 29 HG SER 29 -10.045 -9.074 12.637
212 H THR 30 HN THR 30 -9.220 -13.532 12.662
213 HA THR 30 HA THR 30 -8.957 -15.068 15.035
214 HB THR 30 HB THR 30 -10.824 -15.231 13.456
215 HG1 THR 30 HG1 THR 30 -10.608 -17.078 14.575
216 HG21 THR 30 HG21 THR 30 -9.575 -14.792 11.417
217 HG22 THR 30 HG22 THR 30 -10.556 -16.250 11.239
218 HG23 THR 30 HG23 THR 30 -8.811 -16.375 11.519
219 H ASN 31 HN ASN 31 -6.392 -14.161 13.928
220 HA ASN 31 HA ASN 31 -5.135 -16.479 12.631
221 HB2 ASN 31 HB2 ASN 31 -4.011 -13.767 13.395
222 HB3 ASN 31 HB1 ASN 31 -3.146 -14.996 12.490
223 HD21 ASN 31 HD21 ASN 31 -3.595 -15.259 10.321
224 HD22 ASN 31 HD22 ASN 31 -4.559 -14.124 9.438
225 H VAL 32 HN VAL 32 -5.662 -14.907 15.461
226 HA VAL 32 HA VAL 32 -3.422 -15.600 16.998
227 HB VAL 32 HB VAL 32 -4.746 -14.761 18.859
228 HG11 VAL 32 HG11 VAL 32 -3.568 -13.177 17.448
229 HG12 VAL 32 HG12 VAL 32 -5.080 -12.482 18.035
230 HG13 VAL 32 HG13 VAL 32 -4.968 -13.077 16.380
231 HG21 VAL 32 HG21 VAL 32 -6.936 -15.635 18.263
232 HG22 VAL 32 HG22 VAL 32 -6.994 -14.560 16.865
233 HG23 VAL 32 HG23 VAL 32 -7.007 -13.888 18.496
234 H GLY 33 HN GLY 33 -6.379 -17.274 16.214
235 HA2 GLY 33 HA2 GLY 33 -6.027 -19.172 18.376
236 HA3 GLY 33 HA1 GLY 33 -7.288 -19.223 17.157
237 H SER 34 HN SER 34 -5.029 -18.788 15.148
238 HA SER 34 HA SER 34 -4.444 -21.614 14.819
239 HB2 SER 34 HB2 SER 34 -5.298 -20.245 12.885
240 HB3 SER 34 HB1 SER 34 -3.825 -19.285 12.959
241 HG SER 34 HG SER 34 -4.139 -22.012 12.296
242 H ASN 35 HN ASN 35 -2.726 -18.492 14.954
243 HA ASN 35 HA ASN 35 -0.376 -19.961 15.832
244 HB2 ASN 35 HB2 ASN 35 -0.638 -17.169 14.701
245 HB3 ASN 35 HB1 ASN 35 0.815 -17.709 15.530
246 HD21 ASN 35 HD21 ASN 35 0.647 -20.431 14.451
247 HD22 ASN 35 HD22 ASN 35 1.089 -20.315 12.792
248 H THR 36 HN THR 36 -0.900 -20.441 17.770
249 HA THR 36 HA THR 36 -2.102 -18.616 19.513
250 HB THR 36 HB THR 36 -1.575 -20.583 21.125
251 HG1 THR 36 HG1 THR 36 -0.247 -21.898 20.075
252 HG21 THR 36 HG21 THR 36 -3.415 -20.877 18.738
253 HG22 THR 36 HG22 THR 36 -3.797 -20.011 20.227
254 HG23 THR 36 HG23 THR 36 -3.552 -21.757 20.260
255 H TYC 37 HN ATY 37 -0.719 -16.957 19.641
256 HA TYC 37 HA ATY 37 1.592 -17.362 21.407
257 HB1 TYC 37 HB1 ATY 37 2.195 -14.973 20.700
258 HB2 TYC 37 HB2 ATY 37 0.984 -15.156 19.440
259 HD1 TYC 37 HD1 ATY 37 4.278 -16.119 20.582
260 HD2 TYC 37 HD2 ATY 37 1.346 -16.715 17.575
261 HE1 TYC 37 HE1 ATY 37 5.970 -17.156 19.164
262 HE2 TYC 37 HE2 ATY 37 3.023 -17.763 16.140
263 HH TYC 37 HH ATY 37 6.113 -18.697 17.316
264 HT21 TYC 37 HT21 ATY 37 -0.350 -14.486 20.839
265 HT22 TYC 37 HT22 ATY 37 -0.862 -14.296 22.483
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 9.529 5.815 10.125
2 H2 LYS 1 HT2 LYS 1 10.212 7.265 9.593
3 H3 LYS 1 HT3 LYS 1 11.169 5.915 9.746
4 HA LYS 1 HA LYS 1 10.063 4.820 7.960
5 HB2 LYS 1 HB2 LYS 1 8.388 6.001 6.637
6 HB3 LYS 1 HB1 LYS 1 7.830 5.869 8.295
7 HG2 LYS 1 HG2 LYS 1 8.467 8.220 8.685
8 HG3 LYS 1 HG1 LYS 1 9.041 8.322 7.023
9 HD2 LYS 1 HD2 LYS 1 6.783 7.820 6.212
10 HD3 LYS 1 HD1 LYS 1 6.213 7.732 7.880
11 HE2 LYS 1 HE2 LYS 1 6.762 10.070 8.221
12 HE3 LYS 1 HE1 LYS 1 7.439 10.174 6.597
13 HZ1 LYS 1 HZ1 LYS 1 5.194 11.071 6.644
14 HZ2 LYS 1 HZ2 LYS 1 4.586 9.617 7.250
15 HZ3 LYS 1 HZ3 LYS 1 5.235 9.670 5.714
16 H CYS 2 HN CYS 2 10.482 5.487 5.623
17 HA CYS 2 HA CYS 2 12.410 7.656 5.529
18 HB2 CYS 2 HB2 CYS 2 13.596 6.195 3.829
19 HB3 CYS 2 HB1 CYS 2 13.768 5.691 5.524
20 H ASN 3 HN ASN 3 12.584 8.614 3.366
21 HA ASN 3 HA ASN 3 10.159 8.168 1.785
22 HB2 ASN 3 HB2 ASN 3 9.703 9.875 3.571
23 HB3 ASN 3 HB1 ASN 3 10.939 10.890 2.848
24 HD21 ASN 3 HD21 ASN 3 8.651 8.924 0.985
25 HD22 ASN 3 HD22 ASN 3 7.795 10.262 0.342
26 H THR 4 HN THR 4 13.180 7.934 1.456
27 HA THR 4 HA THR 4 13.470 9.805 -0.764
28 HB THR 4 HB THR 4 15.390 9.614 0.845
29 HG1 THR 4 HG1 THR 4 16.981 9.030 -0.893
30 HG21 THR 4 HG21 THR 4 15.629 6.819 -0.259
31 HG22 THR 4 HG22 THR 4 15.112 7.221 1.366
32 HG23 THR 4 HG23 THR 4 16.767 7.589 0.849
33 H ALA 5 HN ALA 5 14.456 8.871 -2.732
34 HA ALA 5 HA ALA 5 12.733 6.922 -3.851
35 HB1 ALA 5 HB1 ALA 5 14.024 7.198 -5.887
36 HB2 ALA 5 HB2 ALA 5 15.309 7.999 -4.989
37 HB3 ALA 5 HB3 ALA 5 13.731 8.770 -5.145
38 H THR 6 HN THR 6 15.673 6.700 -2.215
39 HA THR 6 HA THR 6 16.415 4.113 -3.230
40 HB THR 6 HB THR 6 17.460 5.780 -0.927
41 HG1 THR 6 HG1 THR 6 19.123 6.271 -2.437
42 HG21 THR 6 HG21 THR 6 18.722 3.411 -2.325
43 HG22 THR 6 HG22 THR 6 18.020 3.428 -0.702
44 HG23 THR 6 HG23 THR 6 19.465 4.380 -1.037
45 H CYS 7 HN CYS 7 14.130 5.236 -0.933
46 HA CYS 7 HA CYS 7 14.423 2.732 0.611
47 HB2 CYS 7 HB2 CYS 7 15.297 4.902 1.572
48 HB3 CYS 7 HB1 CYS 7 13.658 5.282 1.820
49 H ALA 8 HN ALA 8 12.255 5.417 -0.282
50 HA ALA 8 HA ALA 8 10.031 4.306 0.964
51 HB1 ALA 8 HB1 ALA 8 8.743 5.842 -0.522
52 HB2 ALA 8 HB2 ALA 8 10.269 6.238 -1.342
53 HB3 ALA 8 HB3 ALA 8 10.055 6.616 0.365
54 H THR 9 HN THR 9 11.725 3.752 -1.894
55 HA THR 9 HA THR 9 9.779 2.337 -3.417
56 HB THR 9 HB THR 9 11.879 1.438 -4.567
57 HG1 THR 9 HG1 THR 9 13.590 3.194 -3.876
58 HG21 THR 9 HG21 THR 9 10.542 3.374 -5.363
59 HG22 THR 9 HG22 THR 9 12.268 3.567 -5.682
60 HG23 THR 9 HG23 THR 9 11.522 4.426 -4.336
61 H GLN 10 HN GLN 10 11.956 1.547 -0.978
62 HA GLN 10 HA GLN 10 11.805 -1.326 -1.192
63 HB2 GLN 10 HB2 GLN 10 12.648 0.279 1.233
64 HB3 GLN 10 HB1 GLN 10 13.043 -1.405 0.893
65 HG2 GLN 10 HG2 GLN 10 14.008 1.021 -0.599
66 HG3 GLN 10 HG1 GLN 10 14.956 0.004 0.482
67 HE21 GLN 10 HE21 GLN 10 15.169 0.732 -2.338
68 HE22 GLN 10 HE22 GLN 10 15.334 -0.756 -3.207
69 H ARG 11 HN ARG 11 10.350 1.206 0.628
70 HA ARG 11 HA ARG 11 8.618 -0.392 2.257
71 HB2 ARG 11 HB2 ARG 11 7.952 2.382 1.231
72 HB3 ARG 11 HB1 ARG 11 7.342 1.620 2.687
73 HG2 ARG 11 HG2 ARG 11 10.132 2.644 2.200
74 HG3 ARG 11 HG1 ARG 11 8.918 3.339 3.274
75 HD2 ARG 11 HD2 ARG 11 10.304 0.690 3.541
76 HD3 ARG 11 HD1 ARG 11 10.592 2.135 4.507
77 HE ARG 11 HE ARG 11 7.866 1.313 4.652
78 HH11 ARG 11 HH11 ARG 11 11.057 0.571 5.985
79 HH12 ARG 11 HH12 ARG 11 10.449 -0.140 7.397
80 HH21 ARG 11 HH21 ARG 11 7.043 0.321 6.560
81 HH22 ARG 11 HH22 ARG 11 8.113 -0.284 7.744
82 H LEU 12 HN LEU 12 8.335 1.049 -0.936
83 HA LEU 12 HA LEU 12 5.763 0.262 -1.601
84 HB2 LEU 12 HB2 LEU 12 8.272 0.706 -3.057
85 HB3 LEU 12 HB1 LEU 12 6.923 0.257 -3.973
86 HG LEU 12 HG LEU 12 7.262 2.803 -2.364
87 HD11 LEU 12 HD11 LEU 12 6.796 2.306 -5.297
88 HD12 LEU 12 HD12 LEU 12 8.326 2.793 -4.575
89 HD13 LEU 12 HD13 LEU 12 6.939 3.878 -4.529
90 HD21 LEU 12 HD21 LEU 12 5.030 3.456 -3.113
91 HD22 LEU 12 HD22 LEU 12 4.963 2.032 -2.082
92 HD23 LEU 12 HD23 LEU 12 4.798 1.862 -3.829
93 H ALA 13 HN ALA 13 8.849 -1.405 -1.776
94 HA ALA 13 HA ALA 13 7.869 -3.626 -3.138
95 HB1 ALA 13 HB1 ALA 13 9.963 -4.759 -2.451
96 HB2 ALA 13 HB2 ALA 13 10.295 -3.428 -1.341
97 HB3 ALA 13 HB3 ALA 13 10.255 -3.137 -3.080
98 H ASN 14 HN ASN 14 8.064 -2.731 0.210
99 HA ASN 14 HA ASN 14 7.263 -5.323 1.221
100 HB2 ASN 14 HB2 ASN 14 7.500 -2.687 2.671
101 HB3 ASN 14 HB1 ASN 14 6.922 -4.179 3.413
102 HD21 ASN 14 HD21 ASN 14 9.547 -3.895 1.117
103 HD22 ASN 14 HD22 ASN 14 10.778 -4.386 2.216
104 H PHE 15 HN PHE 15 5.612 -2.978 -0.341
105 HA PHE 15 HA PHE 15 3.235 -3.073 1.264
106 HB2 PHE 15 HB2 PHE 15 3.258 -0.957 0.452
107 HB3 PHE 15 HB1 PHE 15 4.427 -1.368 -0.790
108 HD1 PHE 15 HD1 PHE 15 0.851 -1.144 0.042
109 HD2 PHE 15 HD2 PHE 15 3.730 -1.843 -3.000
110 HE1 PHE 15 HE1 PHE 15 -0.899 -0.919 -1.667
111 HE2 PHE 15 HE2 PHE 15 2.001 -1.628 -4.712
112 HZ PHE 15 HZ PHE 15 -0.323 -1.155 -4.052
113 H LEU 16 HN LEU 16 4.814 -4.674 -1.306
114 HA LEU 16 HA LEU 16 2.348 -5.994 -1.883
115 HB2 LEU 16 HB2 LEU 16 2.350 -5.324 -3.895
116 HB3 LEU 16 HB1 LEU 16 3.360 -4.091 -3.342
117 HG LEU 16 HG LEU 16 4.584 -6.516 -4.655
118 HD11 LEU 16 HD11 LEU 16 3.827 -3.867 -5.869
119 HD12 LEU 16 HD12 LEU 16 3.092 -5.428 -6.238
120 HD13 LEU 16 HD13 LEU 16 4.779 -5.123 -6.656
121 HD21 LEU 16 HD21 LEU 16 6.479 -4.988 -4.964
122 HD22 LEU 16 HD22 LEU 16 6.081 -5.197 -3.255
123 HD23 LEU 16 HD23 LEU 16 5.595 -3.731 -4.098
124 H VAL 17 HN VAL 17 4.823 -6.558 -0.303
125 HA VAL 17 HA VAL 17 6.356 -8.415 -1.811
126 HB VAL 17 HB VAL 17 7.375 -7.020 -0.087
127 HG11 VAL 17 HG11 VAL 17 7.157 -7.381 2.281
128 HG12 VAL 17 HG12 VAL 17 5.988 -8.658 1.995
129 HG13 VAL 17 HG13 VAL 17 5.581 -7.011 1.565
130 HG21 VAL 17 HG21 VAL 17 8.607 -8.948 -0.703
131 HG22 VAL 17 HG22 VAL 17 7.670 -9.966 0.384
132 HG23 VAL 17 HG23 VAL 17 8.755 -8.726 1.043
133 H HIS 18 HN HIS 18 4.450 -9.041 1.091
134 HA HIS 18 HA HIS 18 3.672 -11.609 -0.154
135 HB2 HIS 18 HB2 HIS 18 3.949 -11.015 2.821
136 HB3 HIS 18 HB1 HIS 18 3.316 -12.508 2.151
137 HD1 HIS 18 HD1 HIS 18 5.000 -14.333 1.963
138 HD2 HIS 18 HD2 HIS 18 6.648 -10.565 1.898
139 HE1 HIS 18 HE1 HIS 18 7.476 -14.724 1.994
140 HE2 HIS 18 HE2 HIS 18 8.471 -12.442 2.197
141 H SER 19 HN SER 19 2.851 -8.652 0.416
142 HA SER 19 HA SER 19 0.266 -8.825 1.547
143 HB2 SER 19 HB2 SER 19 1.645 -6.691 -0.035
144 HB3 SER 19 HB1 SER 19 0.124 -6.476 0.816
145 HG SER 19 HG SER 19 1.309 -5.983 2.417
146 H SER 20 HN SER 20 1.551 -9.663 -1.313
147 HA SER 20 HA SER 20 0.054 -8.888 -3.397
148 HB2 SER 20 HB2 SER 20 0.955 -11.714 -3.002
149 HB3 SER 20 HB1 SER 20 0.995 -10.724 -4.469
150 HG SER 20 HG SER 20 2.996 -10.414 -3.823
151 H ASN 21 HN ASN 21 -0.870 -11.088 -0.897
152 HA ASN 21 HA ASN 21 -3.049 -12.264 -2.306
153 HB2 ASN 21 HB2 ASN 21 -1.259 -13.020 -0.441
154 HB3 ASN 21 HB1 ASN 21 -2.701 -12.695 0.515
155 HD21 ASN 21 HD21 ASN 21 -1.415 -14.472 -2.104
156 HD22 ASN 21 HD22 ASN 21 -2.580 -15.713 -2.089
157 H ASN 22 HN ASN 22 -2.634 -9.408 -0.415
158 HA ASN 22 HA ASN 22 -5.331 -9.601 0.683
159 HB2 ASN 22 HB2 ASN 22 -2.788 -9.457 1.957
160 HB3 ASN 22 HB1 ASN 22 -3.905 -8.178 2.420
161 HD21 ASN 22 HD21 ASN 22 -4.977 -11.307 1.335
162 HD22 ASN 22 HD22 ASN 22 -5.484 -11.920 2.845
163 H PHE 23 HN PHE 23 -2.700 -7.660 -0.270
164 HA PHE 23 HA PHE 23 -3.589 -5.229 0.576
165 HB2 PHE 23 HB2 PHE 23 -1.633 -4.391 -0.455
166 HB3 PHE 23 HB1 PHE 23 -1.431 -6.090 -0.166
167 HD1 PHE 23 HD1 PHE 23 -2.362 -7.539 -2.004
168 HD2 PHE 23 HD2 PHE 23 -0.635 -3.778 -2.477
169 HE1 PHE 23 HE1 PHE 23 -1.650 -8.219 -4.200
170 HE2 PHE 23 HE2 PHE 23 0.118 -4.347 -4.739
171 HZ PHE 23 HZ PHE 23 -0.392 -6.591 -5.665
172 H GLY 24 HN GLY 24 -5.350 -4.507 0.231
173 HA2 GLY 24 HA2 GLY 24 -7.309 -3.743 -0.664
174 HA3 GLY 24 HA1 GLY 24 -6.566 -3.360 -2.148
175 H ALA 25 HN ALA 25 -6.801 -6.387 -0.501
176 HA ALA 25 HA ALA 25 -8.803 -7.348 -2.377
177 HB1 ALA 25 HB1 ALA 25 -7.952 -9.632 -1.783
178 HB2 ALA 25 HB2 ALA 25 -6.762 -8.867 -0.734
179 HB3 ALA 25 HB3 ALA 25 -6.685 -8.610 -2.473
180 H ILE 26 HN ILE 26 -7.528 -7.434 0.838
181 HA ILE 26 HA ILE 26 -10.047 -7.998 2.005
182 HB ILE 26 HB ILE 26 -8.229 -9.025 3.186
183 HG12 ILE 26 HG12 ILE 26 -8.791 -6.516 4.574
184 HG13 ILE 26 HG11 ILE 26 -9.937 -7.851 4.624
185 HG21 ILE 26 HG21 ILE 26 -6.914 -6.325 3.194
186 HG22 ILE 26 HG22 ILE 26 -6.388 -7.736 2.280
187 HG23 ILE 26 HG23 ILE 26 -6.284 -7.738 4.045
188 HD11 ILE 26 HD11 ILE 26 -8.648 -7.813 6.709
189 HD12 ILE 26 HD12 ILE 26 -7.136 -7.765 5.805
190 HD13 ILE 26 HD13 ILE 26 -8.142 -9.213 5.764
191 H LEU 27 HN LEU 27 -7.772 -5.331 1.656
192 HA LEU 27 HA LEU 27 -9.130 -3.383 3.063
193 HB2 LEU 27 HB2 LEU 27 -7.091 -2.617 2.553
194 HB3 LEU 27 HB1 LEU 27 -6.977 -3.599 1.130
195 HG LEU 27 HG LEU 27 -8.240 -1.808 -0.107
196 HD11 LEU 27 HD11 LEU 27 -9.330 -0.759 1.738
197 HD12 LEU 27 HD12 LEU 27 -8.335 0.354 0.782
198 HD13 LEU 27 HD13 LEU 27 -7.756 -0.205 2.368
199 HD21 LEU 27 HD21 LEU 27 -5.646 -1.015 1.183
200 HD22 LEU 27 HD22 LEU 27 -6.334 -0.296 -0.273
201 HD23 LEU 27 HD23 LEU 27 -5.841 -1.987 -0.273
202 H SER 28 HN SER 28 -9.295 -4.364 -0.277
203 HA SER 28 HA SER 28 -11.434 -2.581 -0.872
204 HB2 SER 28 HB2 SER 28 -9.964 -3.303 -2.670
205 HB3 SER 28 HB1 SER 28 -10.416 -4.980 -2.409
206 HG SER 28 HG SER 28 -12.346 -3.018 -3.084
207 H SER 29 HN SER 29 -11.166 -5.798 0.352
208 HA SER 29 HA SER 29 -12.549 -7.196 1.365
209 HB2 SER 29 HB2 SER 29 -14.618 -5.068 1.031
210 HB3 SER 29 HB1 SER 29 -14.763 -6.450 2.125
211 HG SER 29 HG SER 29 -12.434 -5.249 2.650
212 H THR 30 HN THR 30 -12.757 -6.413 -1.734
213 HA THR 30 HA THR 30 -15.104 -7.737 -2.556
214 HB THR 30 HB THR 30 -14.098 -6.092 -4.033
215 HG1 THR 30 HG1 THR 30 -15.106 -8.068 -4.990
216 HG21 THR 30 HG21 THR 30 -11.936 -6.467 -5.146
217 HG22 THR 30 HG22 THR 30 -11.699 -7.919 -4.169
218 HG23 THR 30 HG23 THR 30 -11.763 -6.337 -3.397
219 H ASN 31 HN ASN 31 -11.932 -8.778 -1.714
220 HA ASN 31 HA ASN 31 -12.424 -11.451 -2.778
221 HB2 ASN 31 HB2 ASN 31 -9.982 -10.224 -1.496
222 HB3 ASN 31 HB1 ASN 31 -10.078 -11.924 -1.950
223 HD21 ASN 31 HD21 ASN 31 -10.054 -12.461 -4.100
224 HD22 ASN 31 HD22 ASN 31 -9.597 -11.362 -5.348
225 H VAL 32 HN VAL 32 -13.237 -9.808 -0.192
226 HA VAL 32 HA VAL 32 -12.947 -11.963 1.779
227 HB VAL 32 HB VAL 32 -14.036 -9.128 2.054
228 HG11 VAL 32 HG11 VAL 32 -13.383 -11.099 4.246
229 HG12 VAL 32 HG12 VAL 32 -15.001 -10.619 3.745
230 HG13 VAL 32 HG13 VAL 32 -13.915 -9.433 4.468
231 HG21 VAL 32 HG21 VAL 32 -11.389 -10.262 2.913
232 HG22 VAL 32 HG22 VAL 32 -11.961 -8.615 3.208
233 HG23 VAL 32 HG23 VAL 32 -11.681 -9.179 1.555
234 H GLY 33 HN GLY 33 -15.023 -10.729 -0.551
235 HA2 GLY 33 HA2 GLY 33 -17.147 -11.343 -1.194
236 HA3 GLY 33 HA1 GLY 33 -17.226 -12.403 0.213
237 H SER 34 HN SER 34 -16.386 -9.053 0.479
238 HA SER 34 HA SER 34 -19.021 -8.525 1.651
239 HB2 SER 34 HB2 SER 34 -17.292 -8.957 3.398
240 HB3 SER 34 HB1 SER 34 -16.339 -7.629 2.754
241 HG SER 34 HG SER 34 -18.215 -6.283 3.202
242 H ASN 35 HN ASN 35 -17.721 -7.958 -1.023
243 HA ASN 35 HA ASN 35 -18.648 -5.390 -1.392
244 HB2 ASN 35 HB2 ASN 35 -16.536 -4.725 -0.292
245 HB3 ASN 35 HB1 ASN 35 -15.629 -5.693 -1.452
246 HD21 ASN 35 HD21 ASN 35 -17.509 -2.830 -0.978
247 HD22 ASN 35 HD22 ASN 35 -17.040 -2.059 -2.446
248 H THR 36 HN THR 36 -19.171 -5.326 -3.505
249 HA THR 36 HA THR 36 -18.262 -7.621 -5.084
250 HB THR 36 HB THR 36 -20.604 -5.881 -5.810
251 HG1 THR 36 HG1 THR 36 -20.419 -7.884 -3.777
252 HG21 THR 36 HG21 THR 36 -21.482 -8.037 -6.589
253 HG22 THR 36 HG22 THR 36 -20.060 -8.840 -5.916
254 HG23 THR 36 HG23 THR 36 -19.880 -7.738 -7.284
255 H TYC 37 HN ATY 37 -16.892 -4.876 -4.774
256 HA TYC 37 HA ATY 37 -16.851 -4.185 -7.618
257 HB1 TYC 37 HB1 ATY 37 -16.251 -1.867 -6.937
258 HB2 TYC 37 HB2 ATY 37 -16.450 -2.333 -5.252
259 HD1 TYC 37 HD1 ATY 37 -18.609 -2.501 -4.256
260 HD2 TYC 37 HD2 ATY 37 -18.243 -1.780 -8.427
261 HE1 TYC 37 HE1 ATY 37 -21.008 -1.963 -4.367
262 HE2 TYC 37 HE2 ATY 37 -20.634 -1.238 -8.549
263 HH TYC 37 HH ATY 37 -22.488 -0.670 -5.786
264 HT21 TYC 37 HT21 ATY 37 -14.768 -3.264 -4.941
265 HT22 TYC 37 HT22 ATY 37 -13.316 -3.915 -5.615
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 10.230 7.323 9.621
2 H2 LYS 1 HT2 LYS 1 11.172 5.958 9.383
3 H3 LYS 1 HT3 LYS 1 9.574 5.769 9.882
4 HA LYS 1 HA LYS 1 9.857 5.224 7.591
5 HB2 LYS 1 HB2 LYS 1 8.458 7.892 7.926
6 HB3 LYS 1 HB1 LYS 1 8.271 6.820 6.555
7 HG2 LYS 1 HG2 LYS 1 7.326 5.107 8.043
8 HG3 LYS 1 HG1 LYS 1 7.459 6.238 9.393
9 HD2 LYS 1 HD2 LYS 1 5.998 7.806 8.196
10 HD3 LYS 1 HD1 LYS 1 5.852 6.645 6.878
11 HE2 LYS 1 HE2 LYS 1 4.856 5.027 8.427
12 HE3 LYS 1 HE1 LYS 1 4.972 6.213 9.728
13 HZ1 LYS 1 HZ1 LYS 1 3.368 6.508 7.244
14 HZ2 LYS 1 HZ2 LYS 1 3.464 7.657 8.481
15 HZ3 LYS 1 HZ3 LYS 1 2.765 6.164 8.770
16 H CYS 2 HN CYS 2 10.416 5.930 5.465
17 HA CYS 2 HA CYS 2 12.307 8.147 5.384
18 HB2 CYS 2 HB2 CYS 2 13.570 6.694 3.727
19 HB3 CYS 2 HB1 CYS 2 13.680 6.198 5.420
20 H ASN 3 HN ASN 3 12.581 8.926 3.088
21 HA ASN 3 HA ASN 3 10.047 8.604 1.623
22 HB2 ASN 3 HB2 ASN 3 9.758 11.026 1.433
23 HB3 ASN 3 HB1 ASN 3 9.767 10.531 3.120
24 HD21 ASN 3 HD21 ASN 3 11.479 11.169 4.434
25 HD22 ASN 3 HD22 ASN 3 12.619 12.364 3.963
26 H THR 4 HN THR 4 13.100 8.123 1.282
27 HA THR 4 HA THR 4 13.445 9.701 -1.140
28 HB THR 4 HB THR 4 15.337 9.759 0.433
29 HG1 THR 4 HG1 THR 4 16.382 9.896 -1.357
30 HG21 THR 4 HG21 THR 4 16.673 7.735 0.878
31 HG22 THR 4 HG22 THR 4 15.479 6.772 0.012
32 HG23 THR 4 HG23 THR 4 15.034 7.578 1.515
33 H ALA 5 HN ALA 5 14.267 8.620 -2.989
34 HA ALA 5 HA ALA 5 12.631 6.476 -3.780
35 HB1 ALA 5 HB1 ALA 5 13.791 6.617 -5.911
36 HB2 ALA 5 HB2 ALA 5 15.028 7.642 -5.182
37 HB3 ALA 5 HB3 ALA 5 13.368 8.225 -5.322
38 H THR 6 HN THR 6 15.709 6.611 -2.338
39 HA THR 6 HA THR 6 16.611 4.022 -3.128
40 HB THR 6 HB THR 6 17.365 5.681 -0.717
41 HG1 THR 6 HG1 THR 6 18.007 5.899 -3.421
42 HG21 THR 6 HG21 THR 6 18.862 3.511 -2.200
43 HG22 THR 6 HG22 THR 6 18.121 3.397 -0.605
44 HG23 THR 6 HG23 THR 6 19.502 4.471 -0.851
45 H CYS 7 HN CYS 7 14.251 5.141 -0.876
46 HA CYS 7 HA CYS 7 14.628 2.742 0.831
47 HB2 CYS 7 HB2 CYS 7 15.296 5.067 1.609
48 HB3 CYS 7 HB1 CYS 7 13.635 5.340 1.685
49 H ALA 8 HN ALA 8 12.336 5.328 -0.068
50 HA ALA 8 HA ALA 8 10.163 4.165 1.238
51 HB1 ALA 8 HB1 ALA 8 10.237 6.115 -1.049
52 HB2 ALA 8 HB2 ALA 8 10.247 6.498 0.678
53 HB3 ALA 8 HB3 ALA 8 8.823 5.743 -0.048
54 H THR 9 HN THR 9 11.675 3.682 -1.748
55 HA THR 9 HA THR 9 9.582 2.399 -3.222
56 HB THR 9 HB THR 9 11.530 1.446 -4.475
57 HG1 THR 9 HG1 THR 9 13.501 2.905 -3.769
58 HG21 THR 9 HG21 THR 9 10.386 3.500 -5.188
59 HG22 THR 9 HG22 THR 9 12.121 3.645 -5.471
60 HG23 THR 9 HG23 THR 9 11.384 4.448 -4.085
61 H GLN 10 HN GLN 10 11.914 1.434 -0.932
62 HA GLN 10 HA GLN 10 11.759 -1.416 -1.262
63 HB2 GLN 10 HB2 GLN 10 12.696 0.131 1.151
64 HB3 GLN 10 HB1 GLN 10 13.124 -1.528 0.738
65 HG2 GLN 10 HG2 GLN 10 13.893 0.970 -0.740
66 HG3 GLN 10 HG1 GLN 10 14.935 0.013 0.299
67 HE21 GLN 10 HE21 GLN 10 15.091 0.771 -2.470
68 HE22 GLN 10 HE22 GLN 10 15.340 -0.679 -3.362
69 H ARG 11 HN ARG 11 10.394 1.011 0.730
70 HA ARG 11 HA ARG 11 8.920 -0.756 2.487
71 HB2 ARG 11 HB2 ARG 11 8.065 2.063 1.892
72 HB3 ARG 11 HB1 ARG 11 7.920 1.176 3.398
73 HG2 ARG 11 HG2 ARG 11 10.466 2.280 2.220
74 HG3 ARG 11 HG1 ARG 11 9.580 2.961 3.573
75 HD2 ARG 11 HD2 ARG 11 10.876 0.241 3.502
76 HD3 ARG 11 HD1 ARG 11 11.576 1.694 4.215
77 HE ARG 11 HE ARG 11 9.087 1.323 5.378
78 HH11 ARG 11 HH11 ARG 11 12.197 -0.380 5.293
79 HH12 ARG 11 HH12 ARG 11 12.035 -1.076 6.831
80 HH21 ARG 11 HH21 ARG 11 8.851 0.380 7.503
81 HH22 ARG 11 HH22 ARG 11 10.079 -0.621 8.130
82 H LEU 12 HN LEU 12 8.249 1.074 -0.433
83 HA LEU 12 HA LEU 12 5.616 0.325 -0.888
84 HB2 LEU 12 HB2 LEU 12 7.954 1.042 -2.519
85 HB3 LEU 12 HB1 LEU 12 6.539 0.656 -3.376
86 HG LEU 12 HG LEU 12 6.940 2.955 -1.435
87 HD11 LEU 12 HD11 LEU 12 7.849 3.326 -3.661
88 HD12 LEU 12 HD12 LEU 12 6.453 4.355 -3.366
89 HD13 LEU 12 HD13 LEU 12 6.288 2.916 -4.372
90 HD21 LEU 12 HD21 LEU 12 4.637 3.636 -1.961
91 HD22 LEU 12 HD22 LEU 12 4.696 2.121 -1.076
92 HD23 LEU 12 HD23 LEU 12 4.390 2.116 -2.817
93 H ALA 13 HN ALA 13 8.682 -1.205 -1.536
94 HA ALA 13 HA ALA 13 7.704 -3.249 -3.132
95 HB1 ALA 13 HB1 ALA 13 9.852 -4.375 -2.734
96 HB2 ALA 13 HB2 ALA 13 10.189 -3.252 -1.421
97 HB3 ALA 13 HB3 ALA 13 10.087 -2.661 -3.074
98 H ASN 14 HN ASN 14 8.117 -2.865 0.324
99 HA ASN 14 HA ASN 14 7.418 -5.596 0.911
100 HB2 ASN 14 HB2 ASN 14 7.680 -3.229 2.747
101 HB3 ASN 14 HB1 ASN 14 7.172 -4.845 3.266
102 HD21 ASN 14 HD21 ASN 14 9.671 -4.164 0.907
103 HD22 ASN 14 HD22 ASN 14 10.970 -4.743 1.879
104 H PHE 15 HN PHE 15 5.637 -3.001 -0.081
105 HA PHE 15 HA PHE 15 3.372 -3.476 1.585
106 HB2 PHE 15 HB2 PHE 15 3.391 -1.229 1.165
107 HB3 PHE 15 HB1 PHE 15 4.413 -1.428 -0.243
108 HD1 PHE 15 HD1 PHE 15 0.947 -1.265 0.977
109 HD2 PHE 15 HD2 PHE 15 3.476 -1.588 -2.424
110 HE1 PHE 15 HE1 PHE 15 -0.959 -0.742 -0.492
111 HE2 PHE 15 HE2 PHE 15 1.614 -1.093 -3.894
112 HZ PHE 15 HZ PHE 15 -0.638 -0.649 -2.935
113 H LEU 16 HN LEU 16 4.821 -4.441 -1.373
114 HA LEU 16 HA LEU 16 2.376 -5.815 -2.011
115 HB2 LEU 16 HB2 LEU 16 2.193 -4.755 -3.838
116 HB3 LEU 16 HB1 LEU 16 3.205 -3.616 -3.131
117 HG LEU 16 HG LEU 16 4.367 -5.661 -5.032
118 HD11 LEU 16 HD11 LEU 16 2.754 -4.246 -6.201
119 HD12 LEU 16 HD12 LEU 16 4.405 -3.822 -6.661
120 HD13 LEU 16 HD13 LEU 16 3.518 -2.806 -5.531
121 HD21 LEU 16 HD21 LEU 16 5.393 -3.039 -3.979
122 HD22 LEU 16 HD22 LEU 16 6.254 -4.121 -5.084
123 HD23 LEU 16 HD23 LEU 16 5.919 -4.623 -3.422
124 H VAL 17 HN VAL 17 4.872 -6.632 -0.683
125 HA VAL 17 HA VAL 17 6.306 -8.204 -2.637
126 HB VAL 17 HB VAL 17 7.606 -7.039 -0.904
127 HG11 VAL 17 HG11 VAL 17 6.277 -8.824 1.084
128 HG12 VAL 17 HG12 VAL 17 6.015 -7.094 0.920
129 HG13 VAL 17 HG13 VAL 17 7.599 -7.709 1.428
130 HG21 VAL 17 HG21 VAL 17 8.594 -9.039 -1.813
131 HG22 VAL 17 HG22 VAL 17 7.764 -10.010 -0.572
132 HG23 VAL 17 HG23 VAL 17 8.992 -8.821 -0.102
133 H HIS 18 HN HIS 18 4.387 -8.769 0.206
134 HA HIS 18 HA HIS 18 3.266 -11.117 -0.897
135 HB2 HIS 18 HB2 HIS 18 3.770 -12.378 1.069
136 HB3 HIS 18 HB1 HIS 18 5.221 -12.202 0.070
137 HD1 HIS 18 HD1 HIS 18 6.155 -13.121 2.517
138 HD2 HIS 18 HD2 HIS 18 4.775 -9.225 2.406
139 HE1 HIS 18 HE1 HIS 18 7.183 -11.980 4.529
140 HE2 HIS 18 HE2 HIS 18 6.265 -9.618 4.453
141 H SER 19 HN SER 19 2.547 -8.507 -0.177
142 HA SER 19 HA SER 19 0.867 -8.769 2.253
143 HB2 SER 19 HB2 SER 19 1.906 -6.388 0.769
144 HB3 SER 19 HB1 SER 19 0.984 -6.335 2.265
145 HG SER 19 HG SER 19 3.427 -6.196 2.412
146 H SER 20 HN SER 20 0.766 -9.233 -0.793
147 HA SER 20 HA SER 20 -1.112 -7.454 -1.886
148 HB2 SER 20 HB2 SER 20 -0.250 -10.133 -2.907
149 HB3 SER 20 HB1 SER 20 -0.841 -8.751 -3.839
150 HG SER 20 HG SER 20 1.469 -9.007 -3.798
151 H ASN 21 HN ASN 21 -1.638 -9.923 0.224
152 HA ASN 21 HA ASN 21 -4.333 -10.451 -0.820
153 HB2 ASN 21 HB2 ASN 21 -2.419 -12.040 0.789
154 HB3 ASN 21 HB1 ASN 21 -4.146 -12.452 0.828
155 HD21 ASN 21 HD21 ASN 21 -1.855 -13.971 -0.059
156 HD22 ASN 21 HD22 ASN 21 -2.134 -14.369 -1.708
157 H ASN 22 HN ASN 22 -2.683 -8.653 1.545
158 HA ASN 22 HA ASN 22 -4.970 -8.849 3.346
159 HB2 ASN 22 HB2 ASN 22 -2.208 -9.432 3.833
160 HB3 ASN 22 HB1 ASN 22 -2.940 -8.254 4.925
161 HD21 ASN 22 HD21 ASN 22 -4.813 -10.689 3.316
162 HD22 ASN 22 HD22 ASN 22 -5.139 -11.655 4.679
163 H PHE 23 HN PHE 23 -2.355 -7.038 2.195
164 HA PHE 23 HA PHE 23 -2.251 -4.860 3.781
165 HB2 PHE 23 HB2 PHE 23 -0.896 -3.906 2.038
166 HB3 PHE 23 HB1 PHE 23 -0.781 -5.654 2.090
167 HD1 PHE 23 HD1 PHE 23 -0.167 -3.614 -0.168
168 HD2 PHE 23 HD2 PHE 23 -3.240 -6.340 0.660
169 HE1 PHE 23 HE1 PHE 23 -0.508 -3.858 -2.522
170 HE2 PHE 23 HE2 PHE 23 -3.663 -6.647 -1.708
171 HZ PHE 23 HZ PHE 23 -2.301 -5.371 -3.383
172 H GLY 24 HN GLY 24 -4.129 -4.208 4.357
173 HA2 GLY 24 HA2 GLY 24 -6.168 -3.061 4.384
174 HA3 GLY 24 HA1 GLY 24 -5.581 -2.084 3.079
175 H ALA 25 HN ALA 25 -6.037 -5.525 3.238
176 HA ALA 25 HA ALA 25 -8.066 -5.390 1.153
177 HB1 ALA 25 HB1 ALA 25 -6.108 -6.776 0.670
178 HB2 ALA 25 HB2 ALA 25 -7.549 -7.794 0.838
179 HB3 ALA 25 HB3 ALA 25 -6.376 -7.684 2.158
180 H ILE 26 HN ILE 26 -7.080 -6.915 4.060
181 HA ILE 26 HA ILE 26 -9.763 -7.383 4.823
182 HB ILE 26 HB ILE 26 -8.382 -9.246 5.296
183 HG12 ILE 26 HG12 ILE 26 -8.362 -7.689 7.791
184 HG13 ILE 26 HG11 ILE 26 -9.838 -8.462 7.223
185 HG21 ILE 26 HG21 ILE 26 -6.229 -9.047 6.555
186 HG22 ILE 26 HG22 ILE 26 -6.399 -7.282 6.388
187 HG23 ILE 26 HG23 ILE 26 -6.227 -8.284 4.964
188 HD11 ILE 26 HD11 ILE 26 -7.275 -9.811 8.114
189 HD12 ILE 26 HD12 ILE 26 -8.646 -10.665 7.398
190 HD13 ILE 26 HD13 ILE 26 -8.830 -9.841 8.943
191 H LEU 27 HN LEU 27 -6.943 -5.465 5.608
192 HA LEU 27 HA LEU 27 -7.799 -4.187 7.930
193 HB2 LEU 27 HB2 LEU 27 -5.617 -3.869 7.645
194 HB3 LEU 27 HB1 LEU 27 -5.726 -3.980 5.917
195 HG LEU 27 HG LEU 27 -6.342 -1.540 5.869
196 HD11 LEU 27 HD11 LEU 27 -5.897 -0.194 7.734
197 HD12 LEU 27 HD12 LEU 27 -5.583 -1.620 8.750
198 HD13 LEU 27 HD13 LEU 27 -7.210 -1.324 8.078
199 HD21 LEU 27 HD21 LEU 27 -4.106 -0.731 6.339
200 HD22 LEU 27 HD22 LEU 27 -4.095 -2.240 5.427
201 HD23 LEU 27 HD23 LEU 27 -3.726 -2.248 7.155
202 H SER 28 HN SER 28 -8.216 -3.449 4.599
203 HA SER 28 HA SER 28 -9.783 -1.110 5.296
204 HB2 SER 28 HB2 SER 28 -8.185 -0.850 3.437
205 HB3 SER 28 HB1 SER 28 -9.017 -2.104 2.532
206 HG SER 28 HG SER 28 -10.436 0.135 3.416
207 H SER 29 HN SER 29 -10.249 -4.280 5.021
208 HA SER 29 HA SER 29 -11.905 -5.766 4.816
209 HB2 SER 29 HB2 SER 29 -13.852 -3.512 5.003
210 HB3 SER 29 HB1 SER 29 -13.966 -5.165 5.626
211 HG SER 29 HG SER 29 -12.736 -2.963 6.705
212 H THR 30 HN THR 30 -11.136 -4.022 2.357
213 HA THR 30 HA THR 30 -13.385 -3.871 0.679
214 HB THR 30 HB THR 30 -11.439 -2.460 0.256
215 HG1 THR 30 HG1 THR 30 -11.105 -3.740 -2.076
216 HG21 THR 30 HG21 THR 30 -9.678 -3.982 0.978
217 HG22 THR 30 HG22 THR 30 -9.339 -3.354 -0.633
218 HG23 THR 30 HG23 THR 30 -9.956 -4.998 -0.438
219 H ASN 31 HN ASN 31 -11.250 -6.484 1.434
220 HA ASN 31 HA ASN 31 -12.423 -7.991 -0.785
221 HB2 ASN 31 HB2 ASN 31 -9.905 -8.501 0.775
222 HB3 ASN 31 HB1 ASN 31 -10.686 -9.813 -0.102
223 HD21 ASN 31 HD21 ASN 31 -8.885 -6.842 -0.392
224 HD22 ASN 31 HD22 ASN 31 -8.592 -6.989 -2.083
225 H VAL 32 HN VAL 32 -13.170 -7.363 2.186
226 HA VAL 32 HA VAL 32 -14.186 -10.041 2.793
227 HB VAL 32 HB VAL 32 -14.407 -7.536 4.503
228 HG11 VAL 32 HG11 VAL 32 -15.922 -9.314 5.135
229 HG12 VAL 32 HG12 VAL 32 -14.677 -9.106 6.367
230 HG13 VAL 32 HG13 VAL 32 -14.578 -10.453 5.233
231 HG21 VAL 32 HG21 VAL 32 -12.215 -9.610 4.615
232 HG22 VAL 32 HG22 VAL 32 -12.439 -8.297 5.769
233 HG23 VAL 32 HG23 VAL 32 -12.036 -7.940 4.088
234 H GLY 33 HN GLY 33 -14.938 -7.147 1.287
235 HA2 GLY 33 HA2 GLY 33 -16.887 -6.616 0.114
236 HA3 GLY 33 HA1 GLY 33 -17.752 -7.821 1.057
237 H SER 34 HN SER 34 -16.074 -6.245 3.232
238 HA SER 34 HA SER 34 -18.460 -4.929 4.208
239 HB2 SER 34 HB2 SER 34 -15.812 -5.224 5.548
240 HB3 SER 34 HB1 SER 34 -17.392 -4.913 6.267
241 HG SER 34 HG SER 34 -17.866 -7.003 4.976
242 H ASN 35 HN ASN 35 -16.285 -3.876 2.191
243 HA ASN 35 HA ASN 35 -15.812 -1.286 3.498
244 HB2 ASN 35 HB2 ASN 35 -13.919 -2.375 2.223
245 HB3 ASN 35 HB1 ASN 35 -14.881 -2.230 0.758
246 HD21 ASN 35 HD21 ASN 35 -13.005 -0.570 3.117
247 HD22 ASN 35 HD22 ASN 35 -12.872 0.932 2.273
248 H THR 36 HN THR 36 -17.553 -2.986 1.146
249 HA THR 36 HA THR 36 -18.919 -0.657 0.150
250 HB THR 36 HB THR 36 -19.336 -3.567 -0.523
251 HG1 THR 36 HG1 THR 36 -17.527 -1.641 -1.589
252 HG21 THR 36 HG21 THR 36 -20.198 -2.683 -2.610
253 HG22 THR 36 HG22 THR 36 -19.884 -1.034 -2.025
254 HG23 THR 36 HG23 THR 36 -21.089 -2.055 -1.212
255 H TYC 37 HN ATY 37 -19.375 -3.416 1.955
256 HA TYC 37 HA ATY 37 -22.107 -2.590 2.770
257 HB1 TYC 37 HB1 ATY 37 -22.607 -4.972 3.251
258 HB2 TYC 37 HB2 ATY 37 -21.002 -5.409 2.682
259 HD1 TYC 37 HD1 ATY 37 -24.344 -4.332 1.665
260 HD2 TYC 37 HD2 ATY 37 -20.459 -5.404 0.330
261 HE1 TYC 37 HE1 ATY 37 -25.202 -4.571 -0.627
262 HE2 TYC 37 HE2 ATY 37 -21.305 -5.643 -1.961
263 HH TYC 37 HH ATY 37 -24.388 -4.544 -2.893
264 HT21 TYC 37 HT21 ATY 37 -21.477 -1.397 4.529
265 HT22 TYC 37 HT22 ATY 37 -20.801 -2.087 5.954
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 11.038 7.729 9.927
2 H2 LYS 1 HT2 LYS 1 12.356 6.698 9.913
3 H3 LYS 1 HT3 LYS 1 10.938 6.207 10.682
4 HA LYS 1 HA LYS 1 11.211 5.122 8.590
5 HB2 LYS 1 HB2 LYS 1 9.070 7.270 8.506
6 HB3 LYS 1 HB1 LYS 1 9.106 5.859 7.468
7 HG2 LYS 1 HG2 LYS 1 8.873 4.409 9.413
8 HG3 LYS 1 HG1 LYS 1 8.872 5.819 10.469
9 HD2 LYS 1 HD2 LYS 1 6.846 6.632 9.358
10 HD3 LYS 1 HD1 LYS 1 6.840 5.203 8.326
11 HE2 LYS 1 HE2 LYS 1 6.634 3.779 10.304
12 HE3 LYS 1 HE1 LYS 1 6.634 5.207 11.333
13 HZ1 LYS 1 HZ1 LYS 1 4.556 5.912 10.270
14 HZ2 LYS 1 HZ2 LYS 1 4.407 4.377 10.938
15 HZ3 LYS 1 HZ3 LYS 1 4.596 4.538 9.284
16 H CYS 2 HN CYS 2 10.843 5.640 6.087
17 HA CYS 2 HA CYS 2 12.510 7.952 5.445
18 HB2 CYS 2 HB2 CYS 2 13.505 6.543 3.633
19 HB3 CYS 2 HB1 CYS 2 13.979 6.068 5.274
20 H ASN 3 HN ASN 3 12.382 8.531 3.135
21 HA ASN 3 HA ASN 3 9.944 7.846 1.747
22 HB2 ASN 3 HB2 ASN 3 9.095 10.181 1.680
23 HB3 ASN 3 HB1 ASN 3 9.087 9.509 3.303
24 HD21 ASN 3 HD21 ASN 3 10.542 11.831 1.189
25 HD22 ASN 3 HD22 ASN 3 11.356 12.738 2.418
26 H THR 4 HN THR 4 12.859 7.829 1.379
27 HA THR 4 HA THR 4 13.224 9.747 -0.798
28 HB THR 4 HB THR 4 15.086 9.722 0.807
29 HG1 THR 4 HG1 THR 4 15.865 10.047 -1.168
30 HG21 THR 4 HG21 THR 4 14.770 7.457 1.711
31 HG22 THR 4 HG22 THR 4 16.440 7.739 1.219
32 HG23 THR 4 HG23 THR 4 15.366 6.792 0.190
33 H ALA 5 HN ALA 5 14.280 8.886 -2.715
34 HA ALA 5 HA ALA 5 12.677 6.899 -3.921
35 HB1 ALA 5 HB1 ALA 5 13.606 8.779 -5.161
36 HB2 ALA 5 HB2 ALA 5 14.087 7.245 -5.893
37 HB3 ALA 5 HB3 ALA 5 15.231 8.149 -4.905
38 H THR 6 HN THR 6 15.593 6.726 -2.199
39 HA THR 6 HA THR 6 16.337 4.159 -3.310
40 HB THR 6 HB THR 6 17.538 5.896 -1.156
41 HG1 THR 6 HG1 THR 6 18.123 5.452 -3.886
42 HG21 THR 6 HG21 THR 6 19.560 4.481 -1.365
43 HG22 THR 6 HG22 THR 6 18.676 3.410 -2.470
44 HG23 THR 6 HG23 THR 6 18.152 3.587 -0.789
45 H CYS 7 HN CYS 7 14.154 5.168 -0.968
46 HA CYS 7 HA CYS 7 14.592 2.727 0.648
47 HB2 CYS 7 HB2 CYS 7 15.385 4.951 1.547
48 HB3 CYS 7 HB1 CYS 7 13.738 5.313 1.738
49 H ALA 8 HN ALA 8 12.314 5.300 -0.304
50 HA ALA 8 HA ALA 8 10.116 4.132 0.968
51 HB1 ALA 8 HB1 ALA 8 8.781 5.652 -0.395
52 HB2 ALA 8 HB2 ALA 8 10.212 6.029 -1.368
53 HB3 ALA 8 HB3 ALA 8 10.162 6.462 0.347
54 H THR 9 HN THR 9 11.827 3.601 -1.875
55 HA THR 9 HA THR 9 9.873 2.236 -3.446
56 HB THR 9 HB THR 9 11.993 1.284 -4.497
57 HG1 THR 9 HG1 THR 9 13.847 2.657 -3.881
58 HG21 THR 9 HG21 THR 9 12.427 3.425 -5.646
59 HG22 THR 9 HG22 THR 9 11.555 4.275 -4.374
60 HG23 THR 9 HG23 THR 9 10.694 3.159 -5.437
61 H GLN 10 HN GLN 10 12.034 1.437 -0.991
62 HA GLN 10 HA GLN 10 11.888 -1.427 -1.169
63 HB2 GLN 10 HB2 GLN 10 12.672 0.199 1.251
64 HB3 GLN 10 HB1 GLN 10 13.155 -1.460 0.875
65 HG2 GLN 10 HG2 GLN 10 14.017 1.086 -0.466
66 HG3 GLN 10 HG1 GLN 10 15.009 0.029 0.529
67 HE21 GLN 10 HE21 GLN 10 15.325 0.999 -2.167
68 HE22 GLN 10 HE22 GLN 10 15.478 -0.375 -3.179
69 H ARG 11 HN ARG 11 10.427 1.155 0.601
70 HA ARG 11 HA ARG 11 8.715 -0.388 2.273
71 HB2 ARG 11 HB2 ARG 11 8.188 2.396 1.204
72 HB3 ARG 11 HB1 ARG 11 7.479 1.668 2.638
73 HG2 ARG 11 HG2 ARG 11 10.345 2.505 2.248
74 HG3 ARG 11 HG1 ARG 11 9.148 3.263 3.304
75 HD2 ARG 11 HD2 ARG 11 10.332 0.524 3.523
76 HD3 ARG 11 HD1 ARG 11 10.641 1.913 4.571
77 HE ARG 11 HE ARG 11 8.103 1.755 4.973
78 HH11 ARG 11 HH11 ARG 11 10.252 -1.055 4.668
79 HH12 ARG 11 HH12 ARG 11 9.274 -2.080 5.608
80 HH21 ARG 11 HH21 ARG 11 6.777 0.365 6.226
81 HH22 ARG 11 HH22 ARG 11 7.231 -1.251 6.543
82 H LEU 12 HN LEU 12 8.417 0.995 -0.933
83 HA LEU 12 HA LEU 12 5.832 0.216 -1.556
84 HB2 LEU 12 HB2 LEU 12 8.341 0.649 -3.032
85 HB3 LEU 12 HB1 LEU 12 6.990 0.180 -3.948
86 HG LEU 12 HG LEU 12 7.353 2.735 -2.361
87 HD11 LEU 12 HD11 LEU 12 8.345 2.695 -4.607
88 HD12 LEU 12 HD12 LEU 12 6.997 3.823 -4.502
89 HD13 LEU 12 HD13 LEU 12 6.774 2.257 -5.274
90 HD21 LEU 12 HD21 LEU 12 5.084 3.371 -3.112
91 HD22 LEU 12 HD22 LEU 12 5.086 2.054 -1.951
92 HD23 LEU 12 HD23 LEU 12 4.834 1.715 -3.666
93 H ALA 13 HN ALA 13 8.930 -1.425 -1.783
94 HA ALA 13 HA ALA 13 8.003 -3.683 -3.087
95 HB1 ALA 13 HB1 ALA 13 10.363 -3.459 -1.216
96 HB2 ALA 13 HB2 ALA 13 10.384 -3.122 -2.944
97 HB3 ALA 13 HB3 ALA 13 10.093 -4.763 -2.371
98 H ASN 14 HN ASN 14 8.114 -2.752 0.250
99 HA ASN 14 HA ASN 14 7.287 -5.330 1.287
100 HB2 ASN 14 HB2 ASN 14 7.519 -2.658 2.661
101 HB3 ASN 14 HB1 ASN 14 6.956 -4.144 3.430
102 HD21 ASN 14 HD21 ASN 14 9.570 -4.061 1.139
103 HD22 ASN 14 HD22 ASN 14 10.828 -4.407 2.269
104 H PHE 15 HN PHE 15 5.662 -2.915 -0.315
105 HA PHE 15 HA PHE 15 3.282 -3.061 1.302
106 HB2 PHE 15 HB2 PHE 15 3.309 -0.876 0.668
107 HB3 PHE 15 HB1 PHE 15 4.538 -1.188 -0.541
108 HD1 PHE 15 HD1 PHE 15 0.956 -0.778 0.094
109 HD2 PHE 15 HD2 PHE 15 3.912 -1.646 -2.837
110 HE1 PHE 15 HE1 PHE 15 -0.689 -0.368 -1.693
111 HE2 PHE 15 HE2 PHE 15 2.306 -1.257 -4.613
112 HZ PHE 15 HZ PHE 15 -0.023 -0.604 -4.057
113 H LEU 16 HN LEU 16 4.848 -4.423 -1.385
114 HA LEU 16 HA LEU 16 2.397 -5.744 -2.084
115 HB2 LEU 16 HB2 LEU 16 2.483 -4.987 -4.069
116 HB3 LEU 16 HB1 LEU 16 3.505 -3.790 -3.449
117 HG LEU 16 HG LEU 16 4.644 -6.209 -4.870
118 HD11 LEU 16 HD11 LEU 16 3.292 -4.883 -6.406
119 HD12 LEU 16 HD12 LEU 16 5.010 -4.679 -6.757
120 HD13 LEU 16 HD13 LEU 16 4.130 -3.420 -5.897
121 HD21 LEU 16 HD21 LEU 16 6.164 -5.094 -3.308
122 HD22 LEU 16 HD22 LEU 16 5.830 -3.554 -4.107
123 HD23 LEU 16 HD23 LEU 16 6.666 -4.840 -4.985
124 H VAL 17 HN VAL 17 4.610 -6.489 -0.345
125 HA VAL 17 HA VAL 17 6.180 -8.398 -1.829
126 HB VAL 17 HB VAL 17 7.279 -7.054 -0.062
127 HG11 VAL 17 HG11 VAL 17 6.920 -7.506 2.304
128 HG12 VAL 17 HG12 VAL 17 5.588 -8.582 1.871
129 HG13 VAL 17 HG13 VAL 17 5.467 -6.856 1.529
130 HG21 VAL 17 HG21 VAL 17 8.269 -9.174 -0.634
131 HG22 VAL 17 HG22 VAL 17 7.242 -9.975 0.574
132 HG23 VAL 17 HG23 VAL 17 8.469 -8.800 1.084
133 H HIS 18 HN HIS 18 3.781 -8.425 0.715
134 HA HIS 18 HA HIS 18 2.681 -10.863 -0.265
135 HB2 HIS 18 HB2 HIS 18 2.867 -11.999 1.685
136 HB3 HIS 18 HB1 HIS 18 4.523 -11.543 1.331
137 HD1 HIS 18 HD1 HIS 18 3.453 -12.451 4.199
138 HD2 HIS 18 HD2 HIS 18 3.939 -8.519 2.989
139 HE1 HIS 18 HE1 HIS 18 3.716 -11.135 6.305
140 HE2 HIS 18 HE2 HIS 18 4.291 -8.826 5.533
141 H SER 19 HN SER 19 2.155 -7.968 0.152
142 HA SER 19 HA SER 19 0.481 -7.830 2.563
143 HB2 SER 19 HB2 SER 19 1.534 -5.673 0.804
144 HB3 SER 19 HB1 SER 19 0.957 -5.508 2.458
145 HG SER 19 HG SER 19 3.257 -5.603 2.423
146 H SER 20 HN SER 20 0.193 -7.931 -0.753
147 HA SER 20 HA SER 20 -1.993 -6.212 -1.197
148 HB2 SER 20 HB2 SER 20 -1.203 -8.580 -2.874
149 HB3 SER 20 HB1 SER 20 -1.975 -7.078 -3.400
150 HG SER 20 HG SER 20 -0.059 -6.322 -3.661
151 H ASN 21 HN ASN 21 -2.190 -8.645 0.721
152 HA ASN 21 HA ASN 21 -4.936 -9.307 0.029
153 HB2 ASN 21 HB2 ASN 21 -2.683 -11.094 0.663
154 HB3 ASN 21 HB1 ASN 21 -4.311 -11.632 1.127
155 HD21 ASN 21 HD21 ASN 21 -2.067 -11.164 -1.460
156 HD22 ASN 21 HD22 ASN 21 -3.064 -11.776 -2.728
157 H ASN 22 HN ASN 22 -2.948 -7.821 2.234
158 HA ASN 22 HA ASN 22 -4.544 -8.581 4.540
159 HB2 ASN 22 HB2 ASN 22 -1.741 -8.999 4.054
160 HB3 ASN 22 HB1 ASN 22 -2.141 -8.130 5.536
161 HD21 ASN 22 HD21 ASN 22 -4.324 -10.368 4.090
162 HD22 ASN 22 HD22 ASN 22 -4.191 -11.643 5.189
163 H PHE 23 HN PHE 23 -2.304 -6.448 3.098
164 HA PHE 23 HA PHE 23 -1.922 -4.550 4.950
165 HB2 PHE 23 HB2 PHE 23 -1.100 -3.175 3.147
166 HB3 PHE 23 HB1 PHE 23 -0.792 -4.881 2.877
167 HD1 PHE 23 HD1 PHE 23 -0.732 -2.594 0.873
168 HD2 PHE 23 HD2 PHE 23 -3.582 -5.506 1.916
169 HE1 PHE 23 HE1 PHE 23 -1.580 -2.508 -1.391
170 HE2 PHE 23 HE2 PHE 23 -4.507 -5.463 -0.357
171 HZ PHE 23 HZ PHE 23 -3.510 -3.933 -2.057
172 H GLY 24 HN GLY 24 -3.408 -3.924 6.104
173 HA2 GLY 24 HA2 GLY 24 -5.262 -2.892 6.953
174 HA3 GLY 24 HA1 GLY 24 -5.292 -1.781 5.629
175 H ALA 25 HN ALA 25 -5.553 -5.239 5.477
176 HA ALA 25 HA ALA 25 -8.317 -5.025 4.650
177 HB1 ALA 25 HB1 ALA 25 -7.954 -7.381 3.908
178 HB2 ALA 25 HB2 ALA 25 -6.302 -7.268 4.518
179 HB3 ALA 25 HB3 ALA 25 -6.802 -6.253 3.166
180 H ILE 26 HN ILE 26 -6.026 -6.778 6.524
181 HA ILE 26 HA ILE 26 -7.987 -7.695 8.297
182 HB ILE 26 HB ILE 26 -6.298 -9.286 7.840
183 HG12 ILE 26 HG12 ILE 26 -5.542 -7.996 10.359
184 HG13 ILE 26 HG11 ILE 26 -6.974 -9.015 10.257
185 HG21 ILE 26 HG21 ILE 26 -4.320 -7.116 8.473
186 HG22 ILE 26 HG22 ILE 26 -4.586 -7.874 6.906
187 HG23 ILE 26 HG23 ILE 26 -3.863 -8.803 8.223
188 HD11 ILE 26 HD11 ILE 26 -4.078 -9.860 9.965
189 HD12 ILE 26 HD12 ILE 26 -5.457 -10.919 9.649
190 HD13 ILE 26 HD13 ILE 26 -5.188 -10.290 11.269
191 H LEU 27 HN LEU 27 -5.345 -5.374 8.202
192 HA LEU 27 HA LEU 27 -5.350 -4.562 10.865
193 HB2 LEU 27 HB2 LEU 27 -3.587 -3.464 9.980
194 HB3 LEU 27 HB1 LEU 27 -4.215 -3.752 8.381
195 HG LEU 27 HG LEU 27 -5.472 -1.588 8.531
196 HD11 LEU 27 HD11 LEU 27 -3.914 -1.153 11.061
197 HD12 LEU 27 HD12 LEU 27 -5.674 -1.351 10.880
198 HD13 LEU 27 HD13 LEU 27 -4.868 0.040 10.154
199 HD21 LEU 27 HD21 LEU 27 -3.334 -1.724 7.396
200 HD22 LEU 27 HD22 LEU 27 -2.494 -1.403 8.914
201 HD23 LEU 27 HD23 LEU 27 -3.528 -0.169 8.201
202 H SER 28 HN SER 28 -7.113 -3.428 8.112
203 HA SER 28 HA SER 28 -8.538 -1.607 9.744
204 HB2 SER 28 HB2 SER 28 -8.704 -2.309 6.888
205 HB3 SER 28 HB1 SER 28 -9.852 -1.171 7.609
206 HG SER 28 HG SER 28 -8.003 0.020 8.292
207 H SER 29 HN SER 29 -8.992 -4.843 8.955
208 HA SER 29 HA SER 29 -10.609 -6.394 9.343
209 HB2 SER 29 HB2 SER 29 -11.893 -4.204 11.020
210 HB3 SER 29 HB1 SER 29 -12.246 -5.927 11.126
211 HG SER 29 HG SER 29 -10.615 -4.767 12.600
212 H THR 30 HN THR 30 -10.755 -4.947 7.024
213 HA THR 30 HA THR 30 -13.378 -3.796 6.672
214 HB THR 30 HB THR 30 -11.278 -2.804 5.684
215 HG1 THR 30 HG1 THR 30 -12.907 -1.974 4.670
216 HG21 THR 30 HG21 THR 30 -11.503 -5.105 3.739
217 HG22 THR 30 HG22 THR 30 -10.258 -4.920 4.964
218 HG23 THR 30 HG23 THR 30 -10.357 -3.760 3.632
219 H ASN 31 HN ASN 31 -12.253 -6.970 6.549
220 HA ASN 31 HA ASN 31 -14.506 -7.738 4.866
221 HB2 ASN 31 HB2 ASN 31 -13.186 -9.285 3.515
222 HB3 ASN 31 HB1 ASN 31 -12.629 -7.633 3.299
223 HD21 ASN 31 HD21 ASN 31 -11.932 -10.733 4.502
224 HD22 ASN 31 HD22 ASN 31 -10.276 -10.439 4.854
225 H VAL 32 HN VAL 32 -14.385 -7.819 7.541
226 HA VAL 32 HA VAL 32 -13.718 -10.497 8.415
227 HB VAL 32 HB VAL 32 -15.444 -8.503 9.890
228 HG11 VAL 32 HG11 VAL 32 -15.581 -10.732 10.787
229 HG12 VAL 32 HG12 VAL 32 -14.668 -9.702 11.898
230 HG13 VAL 32 HG13 VAL 32 -13.825 -10.840 10.851
231 HG21 VAL 32 HG21 VAL 32 -12.454 -8.810 10.017
232 HG22 VAL 32 HG22 VAL 32 -13.443 -7.809 11.089
233 HG23 VAL 32 HG23 VAL 32 -13.354 -7.435 9.367
234 H GLY 33 HN GLY 33 -16.637 -8.702 7.550
235 HA2 GLY 33 HA2 GLY 33 -18.174 -10.521 6.443
236 HA3 GLY 33 HA1 GLY 33 -18.248 -11.089 8.102
237 H SER 34 HN SER 34 -18.183 -8.327 9.157
238 HA SER 34 HA SER 34 -21.012 -7.760 8.648
239 HB2 SER 34 HB2 SER 34 -19.155 -6.646 10.784
240 HB3 SER 34 HB1 SER 34 -20.896 -6.365 10.696
241 HG SER 34 HG SER 34 -20.858 -8.841 10.614
242 H ASN 35 HN ASN 35 -18.040 -5.912 9.125
243 HA ASN 35 HA ASN 35 -16.949 -4.379 7.907
244 HB2 ASN 35 HB2 ASN 35 -18.735 -5.211 5.646
245 HB3 ASN 35 HB1 ASN 35 -17.188 -4.375 5.507
246 HD21 ASN 35 HD21 ASN 35 -18.003 -6.821 4.293
247 HD22 ASN 35 HD22 ASN 35 -16.939 -8.059 4.831
248 H THR 36 HN THR 36 -19.593 -3.688 9.180
249 HA THR 36 HA THR 36 -20.276 -1.467 7.471
250 HB THR 36 HB THR 36 -22.214 -2.731 8.108
251 HG1 THR 36 HG1 THR 36 -22.409 -0.470 8.072
252 HG21 THR 36 HG21 THR 36 -21.467 -2.267 11.004
253 HG22 THR 36 HG22 THR 36 -21.395 -3.811 10.155
254 HG23 THR 36 HG23 THR 36 -22.953 -3.036 10.444
255 H TYC 37 HN ATY 37 -18.856 0.059 7.730
256 HA TYC 37 HA ATY 37 -18.361 1.051 10.454
257 HB1 TYC 37 HB1 ATY 37 -16.080 1.649 9.789
258 HB2 TYC 37 HB2 ATY 37 -16.379 1.055 8.160
259 HD1 TYC 37 HD1 ATY 37 -15.957 -1.169 7.607
260 HD2 TYC 37 HD2 ATY 37 -16.189 -0.069 11.707
261 HE1 TYC 37 HE1 ATY 37 -15.200 -3.410 8.247
262 HE2 TYC 37 HE2 ATY 37 -15.433 -2.316 12.357
263 HH TYC 37 HH ATY 37 -14.192 -4.511 10.026
264 HT21 TYC 37 HT21 ATY 37 -19.831 2.655 10.384
265 HT22 TYC 37 HT22 ATY 37 -19.770 3.997 9.305
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 11.753 5.572 9.544
2 H2 LYS 1 HT2 LYS 1 10.240 5.762 10.270
3 H3 LYS 1 HT3 LYS 1 11.151 7.105 9.777
4 HA LYS 1 HA LYS 1 10.197 5.057 7.929
5 HB2 LYS 1 HB2 LYS 1 8.547 6.747 7.154
6 HB3 LYS 1 HB1 LYS 1 8.252 6.248 8.811
7 HG2 LYS 1 HG2 LYS 1 9.307 8.311 9.603
8 HG3 LYS 1 HG1 LYS 1 9.568 8.818 7.931
9 HD2 LYS 1 HD2 LYS 1 7.139 8.764 7.572
10 HD3 LYS 1 HD1 LYS 1 6.915 8.276 9.251
11 HE2 LYS 1 HE2 LYS 1 7.944 10.362 9.991
12 HE3 LYS 1 HE1 LYS 1 8.167 10.837 8.307
13 HZ1 LYS 1 HZ1 LYS 1 6.206 11.864 9.311
14 HZ2 LYS 1 HZ2 LYS 1 5.518 10.349 9.581
15 HZ3 LYS 1 HZ3 LYS 1 5.785 10.883 8.016
16 H CYS 2 HN CYS 2 10.418 5.846 5.665
17 HA CYS 2 HA CYS 2 12.398 7.932 5.383
18 HB2 CYS 2 HB2 CYS 2 13.623 6.457 3.726
19 HB3 CYS 2 HB1 CYS 2 13.818 6.027 5.426
20 H ASN 3 HN ASN 3 12.529 8.771 3.190
21 HA ASN 3 HA ASN 3 10.009 8.394 1.708
22 HB2 ASN 3 HB2 ASN 3 11.043 11.011 2.812
23 HB3 ASN 3 HB1 ASN 3 9.805 10.909 1.574
24 HD21 ASN 3 HD21 ASN 3 8.483 8.599 2.771
25 HD22 ASN 3 HD22 ASN 3 7.689 9.191 4.175
26 H THR 4 HN THR 4 13.024 8.045 1.393
27 HA THR 4 HA THR 4 13.416 9.743 -0.944
28 HB THR 4 HB THR 4 15.284 9.768 0.641
29 HG1 THR 4 HG1 THR 4 16.657 9.738 -0.941
30 HG21 THR 4 HG21 THR 4 14.864 7.565 1.662
31 HG22 THR 4 HG22 THR 4 16.552 7.757 1.181
32 HG23 THR 4 HG23 THR 4 15.447 6.798 0.187
33 H ALA 5 HN ALA 5 14.290 8.751 -2.822
34 HA ALA 5 HA ALA 5 12.672 6.662 -3.800
35 HB1 ALA 5 HB1 ALA 5 13.947 6.896 -5.858
36 HB2 ALA 5 HB2 ALA 5 15.152 7.860 -4.998
37 HB3 ALA 5 HB3 ALA 5 13.512 8.476 -5.202
38 H THR 6 HN THR 6 15.667 6.679 -2.230
39 HA THR 6 HA THR 6 16.521 4.111 -3.180
40 HB THR 6 HB THR 6 17.436 5.810 -0.860
41 HG1 THR 6 HG1 THR 6 17.892 5.842 -3.603
42 HG21 THR 6 HG21 THR 6 18.146 3.501 -0.674
43 HG22 THR 6 HG22 THR 6 19.534 4.538 -1.030
44 HG23 THR 6 HG23 THR 6 18.820 3.532 -2.305
45 H CYS 7 HN CYS 7 14.230 5.173 -0.855
46 HA CYS 7 HA CYS 7 14.611 2.710 0.755
47 HB2 CYS 7 HB2 CYS 7 15.361 5.013 1.632
48 HB3 CYS 7 HB1 CYS 7 13.706 5.274 1.806
49 H ALA 8 HN ALA 8 12.339 5.340 -0.076
50 HA ALA 8 HA ALA 8 10.131 4.143 1.165
51 HB1 ALA 8 HB1 ALA 8 10.301 6.163 -1.053
52 HB2 ALA 8 HB2 ALA 8 10.233 6.492 0.687
53 HB3 ALA 8 HB3 ALA 8 8.842 5.774 -0.132
54 H THR 9 HN THR 9 11.748 3.727 -1.762
55 HA THR 9 HA THR 9 9.703 2.450 -3.293
56 HB THR 9 HB THR 9 11.707 1.559 -4.575
57 HG1 THR 9 HG1 THR 9 13.521 3.200 -3.818
58 HG21 THR 9 HG21 THR 9 11.407 4.538 -4.138
59 HG22 THR 9 HG22 THR 9 10.462 3.562 -5.268
60 HG23 THR 9 HG23 THR 9 12.192 3.793 -5.528
61 H GLN 10 HN GLN 10 11.946 1.488 -0.987
62 HA GLN 10 HA GLN 10 11.773 -1.369 -1.317
63 HB2 GLN 10 HB2 GLN 10 12.651 0.156 1.145
64 HB3 GLN 10 HB1 GLN 10 13.046 -1.515 0.743
65 HG2 GLN 10 HG2 GLN 10 13.990 0.965 -0.665
66 HG3 GLN 10 HG1 GLN 10 14.942 -0.053 0.405
67 HE21 GLN 10 HE21 GLN 10 15.259 0.728 -2.326
68 HE22 GLN 10 HE22 GLN 10 15.459 -0.743 -3.243
69 H ARG 11 HN ARG 11 10.404 1.116 0.623
70 HA ARG 11 HA ARG 11 8.720 -0.511 2.277
71 HB2 ARG 11 HB2 ARG 11 8.112 2.313 1.386
72 HB3 ARG 11 HB1 ARG 11 7.480 1.492 2.806
73 HG2 ARG 11 HG2 ARG 11 10.291 2.449 2.338
74 HG3 ARG 11 HG1 ARG 11 9.126 3.059 3.518
75 HD2 ARG 11 HD2 ARG 11 10.447 0.373 3.440
76 HD3 ARG 11 HD1 ARG 11 10.750 1.671 4.596
77 HE ARG 11 HE ARG 11 8.198 1.274 5.057
78 HH11 ARG 11 HH11 ARG 11 10.780 -1.124 4.728
79 HH12 ARG 11 HH12 ARG 11 9.923 -2.351 5.553
80 HH21 ARG 11 HH21 ARG 11 7.047 -0.424 6.215
81 HH22 ARG 11 HH22 ARG 11 7.786 -1.940 6.420
82 H LEU 12 HN LEU 12 8.311 1.025 -0.824
83 HA LEU 12 HA LEU 12 5.695 0.290 -1.398
84 HB2 LEU 12 HB2 LEU 12 8.161 0.770 -2.936
85 HB3 LEU 12 HB1 LEU 12 6.762 0.399 -3.823
86 HG LEU 12 HG LEU 12 7.244 2.829 -2.078
87 HD11 LEU 12 HD11 LEU 12 8.180 2.934 -4.356
88 HD12 LEU 12 HD12 LEU 12 6.867 4.081 -4.124
89 HD13 LEU 12 HD13 LEU 12 6.579 2.580 -4.997
90 HD21 LEU 12 HD21 LEU 12 4.959 2.148 -1.675
91 HD22 LEU 12 HD22 LEU 12 4.676 1.985 -3.406
92 HD23 LEU 12 HD23 LEU 12 4.980 3.575 -2.709
93 H ALA 13 HN ALA 13 8.780 -1.351 -1.832
94 HA ALA 13 HA ALA 13 7.745 -3.548 -3.174
95 HB1 ALA 13 HB1 ALA 13 9.860 -4.684 -2.634
96 HB2 ALA 13 HB2 ALA 13 10.254 -3.395 -1.499
97 HB3 ALA 13 HB3 ALA 13 10.130 -3.043 -3.226
98 H ASN 14 HN ASN 14 8.057 -2.734 0.188
99 HA ASN 14 HA ASN 14 7.402 -5.377 1.157
100 HB2 ASN 14 HB2 ASN 14 7.566 -2.757 2.619
101 HB3 ASN 14 HB1 ASN 14 7.110 -4.306 3.345
102 HD21 ASN 14 HD21 ASN 14 9.508 -4.194 0.905
103 HD22 ASN 14 HD22 ASN 14 10.872 -4.471 1.928
104 H PHE 15 HN PHE 15 5.575 -2.997 -0.237
105 HA PHE 15 HA PHE 15 3.317 -3.303 1.498
106 HB2 PHE 15 HB2 PHE 15 3.165 -1.141 0.813
107 HB3 PHE 15 HB1 PHE 15 4.321 -1.419 -0.479
108 HD1 PHE 15 HD1 PHE 15 0.732 -1.525 0.421
109 HD2 PHE 15 HD2 PHE 15 3.601 -1.688 -2.717
110 HE1 PHE 15 HE1 PHE 15 -1.067 -1.285 -1.244
111 HE2 PHE 15 HE2 PHE 15 1.841 -1.462 -4.366
112 HZ PHE 15 HZ PHE 15 -0.520 -1.254 -3.643
113 H LEU 16 HN LEU 16 4.755 -4.406 -1.405
114 HA LEU 16 HA LEU 16 2.349 -5.890 -1.981
115 HB2 LEU 16 HB2 LEU 16 2.319 -5.071 -3.955
116 HB3 LEU 16 HB1 LEU 16 3.371 -3.898 -3.354
117 HG LEU 16 HG LEU 16 4.530 -6.285 -4.790
118 HD11 LEU 16 HD11 LEU 16 4.689 -4.820 -6.751
119 HD12 LEU 16 HD12 LEU 16 3.800 -3.567 -5.880
120 HD13 LEU 16 HD13 LEU 16 3.004 -5.086 -6.295
121 HD21 LEU 16 HD21 LEU 16 6.040 -5.007 -3.346
122 HD22 LEU 16 HD22 LEU 16 5.545 -3.525 -4.166
123 HD23 LEU 16 HD23 LEU 16 6.434 -4.764 -5.054
124 H VAL 17 HN VAL 17 5.128 -6.353 -0.642
125 HA VAL 17 HA VAL 17 6.395 -8.405 -2.083
126 HB VAL 17 HB VAL 17 7.605 -7.197 -0.337
127 HG11 VAL 17 HG11 VAL 17 5.852 -6.735 1.189
128 HG12 VAL 17 HG12 VAL 17 7.151 -7.568 2.061
129 HG13 VAL 17 HG13 VAL 17 5.684 -8.435 1.572
130 HG21 VAL 17 HG21 VAL 17 8.418 -9.426 -0.779
131 HG22 VAL 17 HG22 VAL 17 7.291 -10.069 0.447
132 HG23 VAL 17 HG23 VAL 17 8.604 -8.972 0.924
133 H HIS 18 HN HIS 18 4.167 -8.575 0.575
134 HA HIS 18 HA HIS 18 3.417 -11.251 -0.382
135 HB2 HIS 18 HB2 HIS 18 2.833 -10.011 2.346
136 HB3 HIS 18 HB1 HIS 18 2.313 -11.599 1.806
137 HD1 HIS 18 HD1 HIS 18 3.907 -13.537 2.182
138 HD2 HIS 18 HD2 HIS 18 5.676 -9.834 2.814
139 HE1 HIS 18 HE1 HIS 18 6.117 -14.020 3.230
140 HE2 HIS 18 HE2 HIS 18 7.211 -11.787 3.533
141 H SER 19 HN SER 19 2.600 -8.004 0.029
142 HA SER 19 HA SER 19 1.028 -6.648 -0.733
143 HB2 SER 19 HB2 SER 19 1.217 -8.296 -2.712
144 HB3 SER 19 HB1 SER 19 -0.325 -8.943 -2.124
145 HG SER 19 HG SER 19 -0.143 -7.033 -3.745
146 H SER 20 HN SER 20 0.788 -8.413 1.680
147 HA SER 20 HA SER 20 -1.928 -8.785 2.362
148 HB2 SER 20 HB2 SER 20 0.401 -8.171 4.141
149 HB3 SER 20 HB1 SER 20 -1.038 -9.107 4.557
150 HG SER 20 HG SER 20 -0.418 -10.656 3.052
151 H ASN 21 HN ASN 21 -0.450 -6.161 1.618
152 HA ASN 21 HA ASN 21 -1.525 -4.285 3.598
153 HB2 ASN 21 HB2 ASN 21 0.336 -3.961 1.270
154 HB3 ASN 21 HB1 ASN 21 -0.362 -2.551 2.083
155 HD21 ASN 21 HD21 ASN 21 1.937 -5.112 2.201
156 HD22 ASN 21 HD22 ASN 21 2.736 -4.609 3.643
157 H ASN 22 HN ASN 22 -2.341 -5.818 0.784
158 HA ASN 22 HA ASN 22 -4.505 -3.968 0.254
159 HB2 ASN 22 HB2 ASN 22 -2.408 -5.024 -1.431
160 HB3 ASN 22 HB1 ASN 22 -3.965 -5.325 -2.150
161 HD21 ASN 22 HD21 ASN 22 -3.241 -2.669 0.008
162 HD22 ASN 22 HD22 ASN 22 -3.391 -1.412 -1.110
163 H PHE 23 HN PHE 23 -3.216 -7.085 -0.163
164 HA PHE 23 HA PHE 23 -5.406 -8.705 -0.476
165 HB2 PHE 23 HB2 PHE 23 -2.739 -8.802 0.422
166 HB3 PHE 23 HB1 PHE 23 -3.496 -10.261 0.894
167 HD1 PHE 23 HD1 PHE 23 -3.566 -11.979 -0.838
168 HD2 PHE 23 HD2 PHE 23 -2.955 -7.934 -1.929
169 HE1 PHE 23 HE1 PHE 23 -3.146 -12.672 -3.161
170 HE2 PHE 23 HE2 PHE 23 -2.532 -8.560 -4.198
171 HZ PHE 23 HZ PHE 23 -2.625 -10.972 -4.871
172 H GLY 24 HN GLY 24 -6.968 -8.198 0.678
173 HA2 GLY 24 HA2 GLY 24 -8.464 -8.047 2.369
174 HA3 GLY 24 HA1 GLY 24 -7.659 -9.348 3.170
175 H ALA 25 HN ALA 25 -6.543 -6.141 2.341
176 HA ALA 25 HA ALA 25 -6.112 -5.605 5.169
177 HB1 ALA 25 HB1 ALA 25 -5.125 -4.213 2.666
178 HB2 ALA 25 HB2 ALA 25 -4.211 -5.322 3.657
179 HB3 ALA 25 HB3 ALA 25 -4.702 -3.756 4.320
180 H ILE 26 HN ILE 26 -7.039 -4.204 2.210
181 HA ILE 26 HA ILE 26 -8.797 -2.433 3.463
182 HB ILE 26 HB ILE 26 -7.536 -1.435 1.777
183 HG12 ILE 26 HG12 ILE 26 -10.018 -2.225 0.400
184 HG13 ILE 26 HG11 ILE 26 -10.022 -0.978 1.643
185 HG21 ILE 26 HG21 ILE 26 -7.440 -2.408 -0.578
186 HG22 ILE 26 HG22 ILE 26 -8.122 -3.878 0.178
187 HG23 ILE 26 HG23 ILE 26 -6.565 -3.277 0.688
188 HD11 ILE 26 HD11 ILE 26 -8.642 -0.893 -1.052
189 HD12 ILE 26 HD12 ILE 26 -8.461 0.345 0.190
190 HD13 ILE 26 HD13 ILE 26 -10.038 0.064 -0.554
191 H LEU 27 HN LEU 27 -8.812 -5.347 1.503
192 HA LEU 27 HA LEU 27 -11.524 -5.448 0.804
193 HB2 LEU 27 HB2 LEU 27 -10.581 -7.142 -0.377
194 HB3 LEU 27 HB1 LEU 27 -9.196 -7.117 0.680
195 HG LEU 27 HG LEU 27 -10.323 -8.788 2.159
196 HD11 LEU 27 HD11 LEU 27 -12.420 -8.928 0.022
197 HD12 LEU 27 HD12 LEU 27 -12.592 -8.336 1.694
198 HD13 LEU 27 HD13 LEU 27 -12.186 -10.027 1.400
199 HD21 LEU 27 HD21 LEU 27 -10.054 -10.693 0.659
200 HD22 LEU 27 HD22 LEU 27 -8.746 -9.526 0.490
201 HD23 LEU 27 HD23 LEU 27 -10.025 -9.598 -0.722
202 H SER 28 HN SER 28 -9.741 -6.643 3.476
203 HA SER 28 HA SER 28 -12.111 -7.707 4.704
204 HB2 SER 28 HB2 SER 28 -9.256 -7.696 5.506
205 HB3 SER 28 HB1 SER 28 -10.527 -8.477 6.463
206 HG SER 28 HG SER 28 -10.943 -9.771 4.590
207 H SER 29 HN SER 29 -10.376 -4.846 4.768
208 HA SER 29 HA SER 29 -10.458 -2.901 5.954
209 HB2 SER 29 HB2 SER 29 -13.031 -4.071 7.070
210 HB3 SER 29 HB1 SER 29 -12.588 -2.360 7.049
211 HG SER 29 HG SER 29 -13.903 -3.607 5.239
212 H THR 30 HN THR 30 -8.920 -4.938 6.916
213 HA THR 30 HA THR 30 -9.248 -5.648 9.625
214 HB THR 30 HB THR 30 -7.834 -6.856 7.911
215 HG1 THR 30 HG1 THR 30 -6.047 -7.181 9.451
216 HG21 THR 30 HG21 THR 30 -6.701 -4.879 6.979
217 HG22 THR 30 HG22 THR 30 -5.518 -6.069 7.538
218 HG23 THR 30 HG23 THR 30 -5.870 -4.630 8.502
219 H ASN 31 HN ASN 31 -8.033 -2.813 8.126
220 HA ASN 31 HA ASN 31 -6.755 -1.891 10.588
221 HB2 ASN 31 HB2 ASN 31 -5.716 -0.177 9.181
222 HB3 ASN 31 HB1 ASN 31 -5.352 -1.803 8.606
223 HD21 ASN 31 HD21 ASN 31 -7.089 1.078 8.042
224 HD22 ASN 31 HD22 ASN 31 -7.512 0.735 6.413
225 H VAL 32 HN VAL 32 -9.703 -1.951 9.611
226 HA VAL 32 HA VAL 32 -10.302 0.860 10.223
227 HB VAL 32 HB VAL 32 -12.149 -1.307 9.116
228 HG11 VAL 32 HG11 VAL 32 -13.692 0.505 8.558
229 HG12 VAL 32 HG12 VAL 32 -12.606 1.670 9.307
230 HG13 VAL 32 HG13 VAL 32 -13.391 0.440 10.296
231 HG21 VAL 32 HG21 VAL 32 -10.416 -0.773 7.517
232 HG22 VAL 32 HG22 VAL 32 -10.767 0.948 7.675
233 HG23 VAL 32 HG23 VAL 32 -11.966 -0.134 6.966
234 H GLY 33 HN GLY 33 -9.975 -2.112 11.669
235 HA2 GLY 33 HA2 GLY 33 -10.272 -2.545 13.941
236 HA3 GLY 33 HA1 GLY 33 -11.415 -1.215 14.025
237 H SER 34 HN SER 34 -12.261 -2.949 11.399
238 HA SER 34 HA SER 34 -13.899 -4.766 12.940
239 HB2 SER 34 HB2 SER 34 -14.973 -2.862 10.864
240 HB3 SER 34 HB1 SER 34 -15.900 -4.184 11.580
241 HG SER 34 HG SER 34 -14.882 -2.975 13.591
242 H ASN 35 HN ASN 35 -12.871 -6.492 12.327
243 HA ASN 35 HA ASN 35 -13.321 -7.412 9.609
244 HB2 ASN 35 HB2 ASN 35 -11.104 -6.432 9.482
245 HB3 ASN 35 HB1 ASN 35 -10.578 -7.363 10.882
246 HD21 ASN 35 HD21 ASN 35 -8.904 -8.279 9.735
247 HD22 ASN 35 HD22 ASN 35 -9.137 -9.505 8.555
248 H THR 36 HN THR 36 -12.356 -8.071 12.899
249 HA THR 36 HA THR 36 -12.527 -10.892 12.660
250 HB THR 36 HB THR 36 -12.595 -9.239 15.201
251 HG1 THR 36 HG1 THR 36 -10.308 -9.369 15.088
252 HG21 THR 36 HG21 THR 36 -11.411 -11.175 16.137
253 HG22 THR 36 HG22 THR 36 -11.478 -11.970 14.557
254 HG23 THR 36 HG23 THR 36 -12.968 -11.648 15.451
255 H TYC 37 HN ATY 37 -14.743 -10.372 11.591
256 HA TYC 37 HA ATY 37 -16.845 -10.921 13.565
257 HB1 TYC 37 HB1 ATY 37 -18.461 -9.808 11.941
258 HB2 TYC 37 HB2 ATY 37 -17.051 -9.185 11.094
259 HD1 TYC 37 HD1 ATY 37 -19.258 -8.748 13.896
260 HD2 TYC 37 HD2 ATY 37 -15.495 -7.623 12.278
261 HE1 TYC 37 HE1 ATY 37 -19.173 -6.847 15.437
262 HE2 TYC 37 HE2 ATY 37 -15.392 -5.733 13.803
263 HH TYC 37 HH ATY 37 -16.885 -4.319 15.166
264 HT21 TYC 37 HT21 ATY 37 -16.923 -10.890 10.047
265 HT22 TYC 37 HT22 ATY 37 -17.257 -12.572 9.862
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 9.273 3.423 8.909
2 H2 LYS 1 HT2 LYS 1 10.716 4.318 9.090
3 H3 LYS 1 HT3 LYS 1 10.488 3.327 7.758
4 HA LYS 1 HA LYS 1 8.825 4.643 6.870
5 HB2 LYS 1 HB2 LYS 1 7.807 5.333 9.044
6 HB3 LYS 1 HB1 LYS 1 9.157 6.425 9.305
7 HG2 LYS 1 HG2 LYS 1 8.504 7.742 7.371
8 HG3 LYS 1 HG1 LYS 1 7.192 6.616 7.019
9 HD2 LYS 1 HD2 LYS 1 6.166 7.163 9.192
10 HD3 LYS 1 HD1 LYS 1 7.465 8.309 9.509
11 HE2 LYS 1 HE2 LYS 1 5.491 8.467 7.223
12 HE3 LYS 1 HE1 LYS 1 5.417 9.415 8.705
13 HZ1 LYS 1 HZ1 LYS 1 6.394 10.702 6.922
14 HZ2 LYS 1 HZ2 LYS 1 7.544 9.534 6.639
15 HZ3 LYS 1 HZ3 LYS 1 7.582 10.403 8.081
16 H CYS 2 HN CYS 2 9.657 5.737 5.226
17 HA CYS 2 HA CYS 2 11.728 7.668 5.590
18 HB2 CYS 2 HB2 CYS 2 13.220 6.481 3.915
19 HB3 CYS 2 HB1 CYS 2 13.160 5.778 5.535
20 H ASN 3 HN ASN 3 12.373 8.529 3.310
21 HA ASN 3 HA ASN 3 10.073 8.435 1.525
22 HB2 ASN 3 HB2 ASN 3 9.750 10.892 1.569
23 HB3 ASN 3 HB1 ASN 3 9.315 10.095 3.078
24 HD21 ASN 3 HD21 ASN 3 11.446 12.328 1.532
25 HD22 ASN 3 HD22 ASN 3 12.218 12.897 2.966
26 H THR 4 HN THR 4 13.063 7.984 1.448
27 HA THR 4 HA THR 4 13.629 9.820 -0.755
28 HB THR 4 HB THR 4 15.459 9.658 0.892
29 HG1 THR 4 HG1 THR 4 16.539 9.965 -0.835
30 HG21 THR 4 HG21 THR 4 14.970 7.401 1.712
31 HG22 THR 4 HG22 THR 4 16.669 7.581 1.270
32 HG23 THR 4 HG23 THR 4 15.553 6.729 0.191
33 H ALA 5 HN ALA 5 14.551 8.893 -2.686
34 HA ALA 5 HA ALA 5 12.810 7.003 -3.833
35 HB1 ALA 5 HB1 ALA 5 13.841 8.814 -5.113
36 HB2 ALA 5 HB2 ALA 5 14.187 7.245 -5.839
37 HB3 ALA 5 HB3 ALA 5 15.424 8.069 -4.891
38 H THR 6 HN THR 6 15.731 6.696 -2.161
39 HA THR 6 HA THR 6 16.403 4.104 -3.241
40 HB THR 6 HB THR 6 17.536 5.717 -0.957
41 HG1 THR 6 HG1 THR 6 17.807 5.764 -3.681
42 HG21 THR 6 HG21 THR 6 19.520 4.273 -1.187
43 HG22 THR 6 HG22 THR 6 18.658 3.303 -2.399
44 HG23 THR 6 HG23 THR 6 18.066 3.382 -0.732
45 H CYS 7 HN CYS 7 14.200 5.203 -0.925
46 HA CYS 7 HA CYS 7 14.495 2.735 0.688
47 HB2 CYS 7 HB2 CYS 7 15.302 4.928 1.628
48 HB3 CYS 7 HB1 CYS 7 13.668 5.360 1.688
49 H ALA 8 HN ALA 8 12.331 5.407 -0.272
50 HA ALA 8 HA ALA 8 10.004 4.401 0.841
51 HB1 ALA 8 HB1 ALA 8 10.371 6.090 -1.638
52 HB2 ALA 8 HB2 ALA 8 10.202 6.688 0.012
53 HB3 ALA 8 HB3 ALA 8 8.850 5.869 -0.772
54 H THR 9 HN THR 9 11.789 3.723 -1.898
55 HA THR 9 HA THR 9 9.827 2.314 -3.447
56 HB THR 9 HB THR 9 11.851 1.433 -4.626
57 HG1 THR 9 HG1 THR 9 13.721 2.911 -4.011
58 HG21 THR 9 HG21 THR 9 11.528 4.418 -4.307
59 HG22 THR 9 HG22 THR 9 10.594 3.395 -5.406
60 HG23 THR 9 HG23 THR 9 12.326 3.629 -5.664
61 H GLN 10 HN GLN 10 12.103 1.483 -1.047
62 HA GLN 10 HA GLN 10 11.997 -1.362 -1.408
63 HB2 GLN 10 HB2 GLN 10 12.900 0.106 1.073
64 HB3 GLN 10 HB1 GLN 10 13.360 -1.523 0.573
65 HG2 GLN 10 HG2 GLN 10 14.152 1.095 -0.662
66 HG3 GLN 10 HG1 GLN 10 15.183 -0.038 0.206
67 HE21 GLN 10 HE21 GLN 10 15.284 1.101 -2.429
68 HE22 GLN 10 HE22 GLN 10 15.398 -0.224 -3.553
69 H ARG 11 HN ARG 11 10.582 1.008 0.722
70 HA ARG 11 HA ARG 11 9.110 -0.945 2.124
71 HB2 ARG 11 HB2 ARG 11 7.895 0.883 3.218
72 HB3 ARG 11 HB1 ARG 11 9.653 1.126 3.221
73 HG2 ARG 11 HG2 ARG 11 8.698 3.247 2.872
74 HG3 ARG 11 HG1 ARG 11 9.334 2.675 1.332
75 HD2 ARG 11 HD2 ARG 11 7.182 3.669 0.902
76 HD3 ARG 11 HD1 ARG 11 7.140 1.901 0.734
77 HE ARG 11 HE ARG 11 6.384 2.353 3.284
78 HH11 ARG 11 HH11 ARG 11 5.180 3.531 0.183
79 HH12 ARG 11 HH12 ARG 11 3.543 3.487 0.621
80 HH21 ARG 11 HH21 ARG 11 4.084 2.366 3.932
81 HH22 ARG 11 HH22 ARG 11 2.908 2.802 2.795
82 H LEU 12 HN LEU 12 8.514 0.912 -0.730
83 HA LEU 12 HA LEU 12 5.835 0.299 -1.190
84 HB2 LEU 12 HB2 LEU 12 8.234 0.830 -2.790
85 HB3 LEU 12 HB1 LEU 12 6.878 0.369 -3.684
86 HG LEU 12 HG LEU 12 7.199 2.852 -1.984
87 HD11 LEU 12 HD11 LEU 12 6.737 4.007 -4.092
88 HD12 LEU 12 HD12 LEU 12 6.635 2.454 -4.915
89 HD13 LEU 12 HD13 LEU 12 8.161 2.981 -4.217
90 HD21 LEU 12 HD21 LEU 12 4.939 2.056 -1.594
91 HD22 LEU 12 HD22 LEU 12 4.689 1.858 -3.327
92 HD23 LEU 12 HD23 LEU 12 4.905 3.469 -2.648
93 H ALA 13 HN ALA 13 8.843 -1.376 -1.854
94 HA ALA 13 HA ALA 13 7.722 -3.477 -3.235
95 HB1 ALA 13 HB1 ALA 13 10.103 -2.968 -3.339
96 HB2 ALA 13 HB2 ALA 13 9.860 -4.644 -2.851
97 HB3 ALA 13 HB3 ALA 13 10.280 -3.426 -1.647
98 H ASN 14 HN ASN 14 8.172 -2.823 0.149
99 HA ASN 14 HA ASN 14 7.446 -5.488 1.026
100 HB2 ASN 14 HB2 ASN 14 7.843 -2.955 2.597
101 HB3 ASN 14 HB1 ASN 14 7.290 -4.466 3.320
102 HD21 ASN 14 HD21 ASN 14 9.721 -3.945 0.872
103 HD22 ASN 14 HD22 ASN 14 11.048 -4.583 1.770
104 H PHE 15 HN PHE 15 5.644 -2.954 -0.184
105 HA PHE 15 HA PHE 15 3.501 -3.259 1.701
106 HB2 PHE 15 HB2 PHE 15 3.341 -1.058 1.196
107 HB3 PHE 15 HB1 PHE 15 4.463 -1.228 -0.134
108 HD1 PHE 15 HD1 PHE 15 0.944 -1.043 0.847
109 HD2 PHE 15 HD2 PHE 15 3.655 -1.544 -2.391
110 HE1 PHE 15 HE1 PHE 15 -0.868 -0.551 -0.748
111 HE2 PHE 15 HE2 PHE 15 1.882 -1.068 -3.984
112 HZ PHE 15 HZ PHE 15 -0.407 -0.557 -3.172
113 H LEU 16 HN LEU 16 4.675 -4.514 -1.207
114 HA LEU 16 HA LEU 16 2.093 -5.707 -1.672
115 HB2 LEU 16 HB2 LEU 16 2.007 -4.833 -3.631
116 HB3 LEU 16 HB1 LEU 16 3.141 -3.743 -3.031
117 HG LEU 16 HG LEU 16 4.062 -6.099 -4.678
118 HD11 LEU 16 HD11 LEU 16 4.278 -4.480 -6.503
119 HD12 LEU 16 HD12 LEU 16 3.497 -3.254 -5.502
120 HD13 LEU 16 HD13 LEU 16 2.600 -4.684 -6.007
121 HD21 LEU 16 HD21 LEU 16 6.089 -4.739 -4.921
122 HD22 LEU 16 HD22 LEU 16 5.754 -5.091 -3.219
123 HD23 LEU 16 HD23 LEU 16 5.362 -3.505 -3.887
124 H VAL 17 HN VAL 17 4.734 -6.467 -0.412
125 HA VAL 17 HA VAL 17 6.035 -8.289 -2.166
126 HB VAL 17 HB VAL 17 7.207 -6.993 -0.446
127 HG11 VAL 17 HG11 VAL 17 6.081 -8.837 1.627
128 HG12 VAL 17 HG12 VAL 17 5.608 -7.188 1.371
129 HG13 VAL 17 HG13 VAL 17 7.266 -7.552 1.892
130 HG21 VAL 17 HG21 VAL 17 7.601 -9.960 -0.399
131 HG22 VAL 17 HG22 VAL 17 8.681 -8.814 0.410
132 HG23 VAL 17 HG23 VAL 17 8.467 -8.730 -1.338
133 H HIS 18 HN HIS 18 4.398 -8.963 0.871
134 HA HIS 18 HA HIS 18 3.479 -11.522 -0.262
135 HB2 HIS 18 HB2 HIS 18 4.101 -10.933 2.673
136 HB3 HIS 18 HB1 HIS 18 3.348 -12.379 2.046
137 HD1 HIS 18 HD1 HIS 18 4.974 -14.187 2.422
138 HD2 HIS 18 HD2 HIS 18 6.675 -10.752 0.950
139 HE1 HIS 18 HE1 HIS 18 7.403 -14.760 2.128
140 HE2 HIS 18 HE2 HIS 18 8.458 -12.553 1.579
141 H SER 19 HN SER 19 2.699 -8.593 0.149
142 HA SER 19 HA SER 19 0.247 -8.906 1.613
143 HB2 SER 19 HB2 SER 19 1.490 -6.536 0.323
144 HB3 SER 19 HB1 SER 19 -0.019 -6.516 1.205
145 HG SER 19 HG SER 19 1.196 -7.449 2.987
146 H SER 20 HN SER 20 1.033 -9.833 -1.074
147 HA SER 20 HA SER 20 -0.050 -8.457 -3.196
148 HB2 SER 20 HB2 SER 20 0.449 -11.417 -2.980
149 HB3 SER 20 HB1 SER 20 0.317 -10.472 -4.466
150 HG SER 20 HG SER 20 2.062 -9.197 -3.669
151 H ASN 21 HN ASN 21 -1.771 -10.012 -0.810
152 HA ASN 21 HA ASN 21 -4.116 -10.249 -2.524
153 HB2 ASN 21 HB2 ASN 21 -2.978 -11.937 -0.444
154 HB3 ASN 21 HB1 ASN 21 -4.754 -12.007 -0.644
155 HD21 ASN 21 HD21 ASN 21 -1.668 -12.888 -1.791
156 HD22 ASN 21 HD22 ASN 21 -2.145 -13.869 -3.117
157 H ASN 22 HN ASN 22 -2.826 -8.203 -0.344
158 HA ASN 22 HA ASN 22 -5.295 -7.804 1.124
159 HB2 ASN 22 HB2 ASN 22 -2.658 -8.443 2.051
160 HB3 ASN 22 HB1 ASN 22 -3.315 -6.972 2.743
161 HD21 ASN 22 HD21 ASN 22 -5.301 -9.584 1.616
162 HD22 ASN 22 HD22 ASN 22 -5.826 -10.154 3.137
163 H PHE 23 HN PHE 23 -2.312 -6.573 0.013
164 HA PHE 23 HA PHE 23 -2.454 -4.023 0.873
165 HB2 PHE 23 HB2 PHE 23 -0.600 -3.586 -0.514
166 HB3 PHE 23 HB1 PHE 23 -0.620 -5.296 -0.180
167 HD1 PHE 23 HD1 PHE 23 -0.277 -2.996 -2.769
168 HD2 PHE 23 HD2 PHE 23 -1.753 -6.699 -1.660
169 HE1 PHE 23 HE1 PHE 23 -0.082 -3.721 -5.120
170 HE2 PHE 23 HE2 PHE 23 -1.596 -7.540 -3.821
171 HZ PHE 23 HZ PHE 23 -0.748 -6.034 -5.721
172 H GLY 24 HN GLY 24 -3.958 -2.852 0.787
173 HA2 GLY 24 HA2 GLY 24 -5.656 -1.498 0.187
174 HA3 GLY 24 HA1 GLY 24 -5.054 -1.329 -1.428
175 H ALA 25 HN ALA 25 -5.945 -4.272 0.143
176 HA ALA 25 HA ALA 25 -8.391 -4.430 -1.424
177 HB1 ALA 25 HB1 ALA 25 -6.741 -6.523 -0.008
178 HB2 ALA 25 HB2 ALA 25 -6.828 -6.289 -1.750
179 HB3 ALA 25 HB3 ALA 25 -8.249 -6.871 -0.862
180 H ILE 26 HN ILE 26 -6.847 -4.983 1.611
181 HA ILE 26 HA ILE 26 -9.290 -4.817 3.001
182 HB ILE 26 HB ILE 26 -7.820 -6.433 3.916
183 HG12 ILE 26 HG12 ILE 26 -7.421 -3.995 5.494
184 HG13 ILE 26 HG11 ILE 26 -8.923 -4.910 5.588
185 HG21 ILE 26 HG21 ILE 26 -5.477 -5.877 4.628
186 HG22 ILE 26 HG22 ILE 26 -5.704 -4.313 3.805
187 HG23 ILE 26 HG23 ILE 26 -5.751 -5.803 2.885
188 HD11 ILE 26 HD11 ILE 26 -7.539 -5.445 7.531
189 HD12 ILE 26 HD12 ILE 26 -6.161 -5.797 6.486
190 HD13 ILE 26 HD13 ILE 26 -7.576 -6.849 6.464
191 H LEU 27 HN LEU 27 -6.324 -2.919 2.507
192 HA LEU 27 HA LEU 27 -6.871 -0.808 4.232
193 HB2 LEU 27 HB2 LEU 27 -4.766 -0.350 3.490
194 HB3 LEU 27 HB1 LEU 27 -5.040 -1.456 2.168
195 HG LEU 27 HG LEU 27 -5.856 0.411 0.759
196 HD11 LEU 27 HD11 LEU 27 -6.649 1.914 2.430
197 HD12 LEU 27 HD12 LEU 27 -5.477 2.659 1.343
198 HD13 LEU 27 HD13 LEU 27 -4.987 2.210 2.995
199 HD21 LEU 27 HD21 LEU 27 -3.115 0.797 1.939
200 HD22 LEU 27 HD22 LEU 27 -3.673 1.409 0.382
201 HD23 LEU 27 HD23 LEU 27 -3.549 -0.328 0.654
202 H SER 28 HN SER 28 -7.632 -1.282 0.893
203 HA SER 28 HA SER 28 -9.076 1.177 0.807
204 HB2 SER 28 HB2 SER 28 -8.770 -1.012 -1.180
205 HB3 SER 28 HB1 SER 28 -9.584 0.531 -1.515
206 HG SER 28 HG SER 28 -7.546 1.490 -0.789
207 H SER 29 HN SER 29 -9.752 -1.898 1.704
208 HA SER 29 HA SER 29 -11.527 -3.026 2.493
209 HB2 SER 29 HB2 SER 29 -11.840 -1.002 3.777
210 HB3 SER 29 HB1 SER 29 -12.838 -0.280 2.517
211 HG SER 29 HG SER 29 -13.662 -1.683 4.534
212 H THR 30 HN THR 30 -11.185 -2.564 -0.383
213 HA THR 30 HA THR 30 -13.856 -2.779 -1.440
214 HB THR 30 HB THR 30 -12.064 -1.516 -2.658
215 HG1 THR 30 HG1 THR 30 -13.056 -3.758 -4.113
216 HG21 THR 30 HG21 THR 30 -10.887 -4.264 -3.129
217 HG22 THR 30 HG22 THR 30 -10.158 -2.968 -2.182
218 HG23 THR 30 HG23 THR 30 -10.357 -2.780 -3.925
219 H ASN 31 HN ASN 31 -11.723 -4.815 0.079
220 HA ASN 31 HA ASN 31 -12.866 -7.133 -1.272
221 HB2 ASN 31 HB2 ASN 31 -10.393 -6.971 -1.416
222 HB3 ASN 31 HB1 ASN 31 -10.299 -6.900 0.335
223 HD21 ASN 31 HD21 ASN 31 -12.425 -9.004 -1.499
224 HD22 ASN 31 HD22 ASN 31 -11.668 -10.464 -1.013
225 H VAL 32 HN VAL 32 -13.548 -5.240 1.045
226 HA VAL 32 HA VAL 32 -13.975 -7.283 3.098
227 HB VAL 32 HB VAL 32 -14.199 -4.262 3.346
228 HG11 VAL 32 HG11 VAL 32 -14.190 -4.666 5.743
229 HG12 VAL 32 HG12 VAL 32 -14.154 -6.406 5.462
230 HG13 VAL 32 HG13 VAL 32 -15.563 -5.462 4.970
231 HG21 VAL 32 HG21 VAL 32 -11.990 -6.079 4.278
232 HG22 VAL 32 HG22 VAL 32 -12.072 -4.330 4.511
233 HG23 VAL 32 HG23 VAL 32 -11.905 -5.007 2.887
234 H GLY 33 HN GLY 33 -15.499 -5.500 0.639
235 HA2 GLY 33 HA2 GLY 33 -17.684 -5.560 -0.062
236 HA3 GLY 33 HA1 GLY 33 -18.106 -6.453 1.399
237 H SER 34 HN SER 34 -16.263 -3.653 1.768
238 HA SER 34 HA SER 34 -18.644 -2.280 2.829
239 HB2 SER 34 HB2 SER 34 -15.770 -1.961 3.722
240 HB3 SER 34 HB1 SER 34 -17.180 -1.175 4.437
241 HG SER 34 HG SER 34 -17.968 -3.423 4.661
242 H ASN 35 HN ASN 35 -15.578 -1.736 1.129
243 HA ASN 35 HA ASN 35 -16.735 0.750 0.072
244 HB2 ASN 35 HB2 ASN 35 -13.867 0.127 0.802
245 HB3 ASN 35 HB1 ASN 35 -14.299 1.449 -0.264
246 HD21 ASN 35 HD21 ASN 35 -15.209 3.288 0.594
247 HD22 ASN 35 HD22 ASN 35 -15.287 3.610 2.279
248 H THR 36 HN THR 36 -16.955 -1.963 -0.805
249 HA THR 36 HA THR 36 -15.240 -2.301 -3.052
250 HB THR 36 HB THR 36 -17.824 -3.743 -2.389
251 HG1 THR 36 HG1 THR 36 -15.745 -5.171 -1.690
252 HG21 THR 36 HG21 THR 36 -16.910 -4.155 -4.643
253 HG22 THR 36 HG22 THR 36 -16.763 -5.588 -3.614
254 HG23 THR 36 HG23 THR 36 -15.355 -4.566 -3.915
255 H TYC 37 HN ATY 37 -15.557 -0.356 -4.168
256 HA TYC 37 HA ATY 37 -16.335 1.057 -5.629
257 HB1 TYC 37 HB1 ATY 37 -17.731 0.264 -7.403
258 HB2 TYC 37 HB2 ATY 37 -18.147 -1.203 -6.505
259 HD1 TYC 37 HD1 ATY 37 -15.323 0.650 -8.048
260 HD2 TYC 37 HD2 ATY 37 -16.743 -3.097 -6.635
261 HE1 TYC 37 HE1 ATY 37 -13.330 -0.452 -8.978
262 HE2 TYC 37 HE2 ATY 37 -14.760 -4.204 -7.556
263 HH TYC 37 HH ATY 37 -13.086 -3.761 -9.377
264 HT21 TYC 37 HT21 ATY 37 -17.142 2.472 -4.214
265 HT22 TYC 37 HT22 ATY 37 -18.830 2.672 -3.916
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 11.272 3.563 8.631
2 H2 LYS 1 HT2 LYS 1 9.763 3.413 9.326
3 H3 LYS 1 HT3 LYS 1 10.730 4.779 9.650
4 HA LYS 1 HA LYS 1 9.687 3.986 7.020
5 HB2 LYS 1 HB2 LYS 1 8.758 6.143 8.903
6 HB3 LYS 1 HB1 LYS 1 8.366 6.117 7.190
7 HG2 LYS 1 HG2 LYS 1 7.263 3.946 7.489
8 HG3 LYS 1 HG1 LYS 1 7.628 3.999 9.208
9 HD2 LYS 1 HD2 LYS 1 5.349 4.704 8.796
10 HD3 LYS 1 HD1 LYS 1 6.302 6.048 9.418
11 HE2 LYS 1 HE2 LYS 1 6.561 6.930 7.143
12 HE3 LYS 1 HE1 LYS 1 5.647 5.563 6.505
13 HZ1 LYS 1 HZ1 LYS 1 4.632 7.667 8.335
14 HZ2 LYS 1 HZ2 LYS 1 3.734 6.349 7.757
15 HZ3 LYS 1 HZ3 LYS 1 4.298 7.520 6.688
16 H CYS 2 HN CYS 2 9.988 5.516 5.377
17 HA CYS 2 HA CYS 2 11.994 7.533 5.672
18 HB2 CYS 2 HB2 CYS 2 13.354 6.369 3.859
19 HB3 CYS 2 HB1 CYS 2 13.475 5.680 5.488
20 H ASN 3 HN ASN 3 12.384 8.471 3.325
21 HA ASN 3 HA ASN 3 9.984 8.090 1.698
22 HB2 ASN 3 HB2 ASN 3 9.325 10.405 1.699
23 HB3 ASN 3 HB1 ASN 3 9.382 9.826 3.358
24 HD21 ASN 3 HD21 ASN 3 10.995 10.606 4.711
25 HD22 ASN 3 HD22 ASN 3 11.896 12.032 4.340
26 H THR 4 HN THR 4 13.021 7.912 1.472
27 HA THR 4 HA THR 4 13.381 9.771 -0.755
28 HB THR 4 HB THR 4 15.260 9.743 0.832
29 HG1 THR 4 HG1 THR 4 16.365 10.017 -0.909
30 HG21 THR 4 HG21 THR 4 16.608 7.727 1.194
31 HG22 THR 4 HG22 THR 4 15.466 6.798 0.223
32 HG23 THR 4 HG23 THR 4 14.950 7.497 1.759
33 H ALA 5 HN ALA 5 14.399 8.883 -2.691
34 HA ALA 5 HA ALA 5 12.782 6.854 -3.831
35 HB1 ALA 5 HB1 ALA 5 13.716 8.705 -5.134
36 HB2 ALA 5 HB2 ALA 5 14.152 7.143 -5.831
37 HB3 ALA 5 HB3 ALA 5 15.337 8.055 -4.894
38 H THR 6 HN THR 6 15.738 6.786 -2.160
39 HA THR 6 HA THR 6 16.626 4.249 -3.141
40 HB THR 6 HB THR 6 17.440 5.864 -0.721
41 HG1 THR 6 HG1 THR 6 18.389 5.860 -3.402
42 HG21 THR 6 HG21 THR 6 18.193 3.568 -0.638
43 HG22 THR 6 HG22 THR 6 19.576 4.636 -0.927
44 HG23 THR 6 HG23 THR 6 18.879 3.687 -2.255
45 H CYS 7 HN CYS 7 14.195 5.209 -0.947
46 HA CYS 7 HA CYS 7 14.547 2.735 0.636
47 HB2 CYS 7 HB2 CYS 7 15.324 4.911 1.593
48 HB3 CYS 7 HB1 CYS 7 13.675 5.310 1.722
49 H ALA 8 HN ALA 8 12.307 5.378 -0.221
50 HA ALA 8 HA ALA 8 10.069 4.160 0.924
51 HB1 ALA 8 HB1 ALA 8 10.226 6.160 -1.325
52 HB2 ALA 8 HB2 ALA 8 10.171 6.517 0.403
53 HB3 ALA 8 HB3 ALA 8 8.777 5.770 -0.383
54 H THR 9 HN THR 9 11.811 3.708 -1.933
55 HA THR 9 HA THR 9 9.844 2.378 -3.513
56 HB THR 9 HB THR 9 11.910 1.475 -4.663
57 HG1 THR 9 HG1 THR 9 13.667 3.213 -3.880
58 HG21 THR 9 HG21 THR 9 12.392 3.678 -5.693
59 HG22 THR 9 HG22 THR 9 11.562 4.465 -4.354
60 HG23 THR 9 HG23 THR 9 10.657 3.433 -5.465
61 H GLN 10 HN GLN 10 12.063 1.476 -1.116
62 HA GLN 10 HA GLN 10 11.887 -1.391 -1.373
63 HB2 GLN 10 HB2 GLN 10 12.712 0.184 1.077
64 HB3 GLN 10 HB1 GLN 10 13.133 -1.485 0.706
65 HG2 GLN 10 HG2 GLN 10 14.071 0.983 -0.728
66 HG3 GLN 10 HG1 GLN 10 15.015 -0.003 0.379
67 HE21 GLN 10 HE21 GLN 10 15.356 0.743 -2.387
68 HE22 GLN 10 HE22 GLN 10 15.599 -0.721 -3.262
69 H ARG 11 HN ARG 11 10.522 1.137 0.533
70 HA ARG 11 HA ARG 11 8.827 -0.454 2.183
71 HB2 ARG 11 HB2 ARG 11 8.212 2.358 1.272
72 HB3 ARG 11 HB1 ARG 11 7.612 1.555 2.710
73 HG2 ARG 11 HG2 ARG 11 10.400 2.538 2.178
74 HG3 ARG 11 HG1 ARG 11 9.267 3.161 3.368
75 HD2 ARG 11 HD2 ARG 11 10.694 0.530 3.322
76 HD3 ARG 11 HD1 ARG 11 10.905 1.854 4.469
77 HE ARG 11 HE ARG 11 8.433 1.296 5.013
78 HH11 ARG 11 HH11 ARG 11 11.013 -1.012 4.289
79 HH12 ARG 11 HH12 ARG 11 10.316 -2.309 5.140
80 HH21 ARG 11 HH21 ARG 11 7.449 -0.503 6.217
81 HH22 ARG 11 HH22 ARG 11 8.241 -2.007 6.273
82 H LEU 12 HN LEU 12 8.462 0.992 -0.977
83 HA LEU 12 HA LEU 12 5.813 0.309 -1.510
84 HB2 LEU 12 HB2 LEU 12 8.268 0.739 -3.043
85 HB3 LEU 12 HB1 LEU 12 6.936 0.268 -3.962
86 HG LEU 12 HG LEU 12 7.258 2.816 -2.353
87 HD11 LEU 12 HD11 LEU 12 6.910 3.922 -4.485
88 HD12 LEU 12 HD12 LEU 12 6.709 2.363 -5.274
89 HD13 LEU 12 HD13 LEU 12 8.267 2.806 -4.589
90 HD21 LEU 12 HD21 LEU 12 4.969 2.062 -1.985
91 HD22 LEU 12 HD22 LEU 12 4.753 1.831 -3.718
92 HD23 LEU 12 HD23 LEU 12 4.986 3.452 -3.068
93 H ALA 13 HN ALA 13 8.861 -1.396 -1.909
94 HA ALA 13 HA ALA 13 7.776 -3.596 -3.201
95 HB1 ALA 13 HB1 ALA 13 10.173 -3.127 -3.274
96 HB2 ALA 13 HB2 ALA 13 9.890 -4.763 -2.678
97 HB3 ALA 13 HB3 ALA 13 10.305 -3.472 -1.549
98 H ASN 14 HN ASN 14 8.203 -2.765 0.136
99 HA ASN 14 HA ASN 14 7.396 -5.338 1.231
100 HB2 ASN 14 HB2 ASN 14 7.700 -2.648 2.582
101 HB3 ASN 14 HB1 ASN 14 7.216 -4.134 3.391
102 HD21 ASN 14 HD21 ASN 14 9.636 -4.117 0.921
103 HD22 ASN 14 HD22 ASN 14 10.988 -4.428 1.943
104 H PHE 15 HN PHE 15 5.682 -2.951 -0.316
105 HA PHE 15 HA PHE 15 3.478 -2.978 1.510
106 HB2 PHE 15 HB2 PHE 15 3.460 -0.843 0.742
107 HB3 PHE 15 HB1 PHE 15 4.531 -1.257 -0.584
108 HD1 PHE 15 HD1 PHE 15 1.009 -0.964 0.468
109 HD2 PHE 15 HD2 PHE 15 3.667 -1.665 -2.770
110 HE1 PHE 15 HE1 PHE 15 -0.851 -0.670 -1.119
111 HE2 PHE 15 HE2 PHE 15 1.833 -1.378 -4.359
112 HZ PHE 15 HZ PHE 15 -0.445 -0.873 -3.535
113 H LEU 16 HN LEU 16 4.748 -4.537 -1.225
114 HA LEU 16 HA LEU 16 2.229 -5.813 -1.660
115 HB2 LEU 16 HB2 LEU 16 2.124 -5.136 -3.680
116 HB3 LEU 16 HB1 LEU 16 3.069 -3.849 -3.117
117 HG LEU 16 HG LEU 16 4.242 -6.145 -4.704
118 HD11 LEU 16 HD11 LEU 16 4.443 -4.531 -6.514
119 HD12 LEU 16 HD12 LEU 16 3.624 -3.320 -5.532
120 HD13 LEU 16 HD13 LEU 16 2.758 -4.765 -6.051
121 HD21 LEU 16 HD21 LEU 16 5.447 -3.515 -3.871
122 HD22 LEU 16 HD22 LEU 16 6.232 -4.752 -4.861
123 HD23 LEU 16 HD23 LEU 16 5.833 -5.084 -3.171
124 H VAL 17 HN VAL 17 4.544 -6.643 -0.158
125 HA VAL 17 HA VAL 17 6.153 -8.345 -1.854
126 HB VAL 17 HB VAL 17 7.270 -6.983 -0.152
127 HG11 VAL 17 HG11 VAL 17 7.098 -7.493 2.237
128 HG12 VAL 17 HG12 VAL 17 5.806 -8.642 1.869
129 HG13 VAL 17 HG13 VAL 17 5.564 -6.932 1.558
130 HG21 VAL 17 HG21 VAL 17 7.504 -9.928 0.395
131 HG22 VAL 17 HG22 VAL 17 8.674 -8.691 0.873
132 HG23 VAL 17 HG23 VAL 17 8.380 -9.013 -0.842
133 H HIS 18 HN HIS 18 3.866 -8.681 0.760
134 HA HIS 18 HA HIS 18 3.297 -11.355 -0.121
135 HB2 HIS 18 HB2 HIS 18 3.482 -12.280 1.961
136 HB3 HIS 18 HB1 HIS 18 5.060 -11.561 1.673
137 HD1 HIS 18 HD1 HIS 18 3.694 -12.398 4.506
138 HD2 HIS 18 HD2 HIS 18 4.050 -8.577 2.959
139 HE1 HIS 18 HE1 HIS 18 3.580 -10.871 6.488
140 HE2 HIS 18 HE2 HIS 18 4.019 -8.591 5.558
141 H SER 19 HN SER 19 2.150 -8.725 -0.165
142 HA SER 19 HA SER 19 0.233 -8.638 1.985
143 HB2 SER 19 HB2 SER 19 0.657 -6.682 -0.204
144 HB3 SER 19 HB1 SER 19 -0.004 -6.416 1.408
145 HG SER 19 HG SER 19 1.971 -5.934 1.969
146 H SER 20 HN SER 20 -1.474 -9.764 1.599
147 HA SER 20 HA SER 20 -2.818 -9.559 -0.963
148 HB2 SER 20 HB2 SER 20 -3.825 -11.753 -0.031
149 HB3 SER 20 HB1 SER 20 -2.205 -11.819 -0.770
150 HG SER 20 HG SER 20 -1.737 -12.693 1.098
151 H ASN 21 HN ASN 21 -2.869 -8.967 2.347
152 HA ASN 21 HA ASN 21 -5.762 -8.377 2.389
153 HB2 ASN 21 HB2 ASN 21 -3.976 -9.651 4.395
154 HB3 ASN 21 HB1 ASN 21 -5.565 -9.017 4.845
155 HD21 ASN 21 HD21 ASN 21 -3.792 -11.558 3.290
156 HD22 ASN 21 HD22 ASN 21 -5.115 -12.617 3.038
157 H ASN 22 HN ASN 22 -2.832 -6.949 2.300
158 HA ASN 22 HA ASN 22 -3.392 -5.173 4.556
159 HB2 ASN 22 HB2 ASN 22 -1.237 -6.920 3.990
160 HB3 ASN 22 HB1 ASN 22 -0.713 -5.270 4.238
161 HD21 ASN 22 HD21 ASN 22 -3.613 -6.656 5.646
162 HD22 ASN 22 HD22 ASN 22 -3.067 -6.718 7.260
163 H PHE 23 HN PHE 23 -2.760 -5.463 1.313
164 HA PHE 23 HA PHE 23 -0.861 -3.424 1.147
165 HB2 PHE 23 HB2 PHE 23 -0.843 -3.939 -1.254
166 HB3 PHE 23 HB1 PHE 23 -0.806 -5.347 -0.202
167 HD1 PHE 23 HD1 PHE 23 -2.696 -3.671 -2.742
168 HD2 PHE 23 HD2 PHE 23 -2.495 -6.706 0.112
169 HE1 PHE 23 HE1 PHE 23 -4.547 -4.825 -3.922
170 HE2 PHE 23 HE2 PHE 23 -4.323 -7.931 -1.001
171 HZ PHE 23 HZ PHE 23 -5.375 -6.970 -3.051
172 H GLY 24 HN GLY 24 -1.406 -1.634 1.682
173 HA2 GLY 24 HA2 GLY 24 -2.503 0.298 2.056
174 HA3 GLY 24 HA1 GLY 24 -3.100 0.319 0.447
175 H ALA 25 HN ALA 25 -3.623 -2.078 2.951
176 HA ALA 25 HA ALA 25 -6.445 -1.386 3.029
177 HB1 ALA 25 HB1 ALA 25 -5.947 -3.668 2.401
178 HB2 ALA 25 HB2 ALA 25 -6.704 -3.649 4.008
179 HB3 ALA 25 HB3 ALA 25 -4.954 -3.865 3.842
180 H ILE 26 HN ILE 26 -3.632 -2.218 4.837
181 HA ILE 26 HA ILE 26 -4.768 -1.048 7.145
182 HB ILE 26 HB ILE 26 -3.609 -3.077 7.654
183 HG12 ILE 26 HG12 ILE 26 -1.670 -0.931 8.119
184 HG13 ILE 26 HG11 ILE 26 -3.088 -1.072 9.146
185 HG21 ILE 26 HG21 ILE 26 -1.394 -1.911 6.029
186 HG22 ILE 26 HG22 ILE 26 -2.363 -3.329 5.612
187 HG23 ILE 26 HG23 ILE 26 -1.215 -3.401 6.964
188 HD11 ILE 26 HD11 ILE 26 -1.168 -2.041 10.301
189 HD12 ILE 26 HD12 ILE 26 -0.769 -3.019 8.890
190 HD13 ILE 26 HD13 ILE 26 -2.232 -3.361 9.814
191 H LEU 27 HN LEU 27 -2.270 -0.608 4.728
192 HA LEU 27 HA LEU 27 -0.987 1.627 5.766
193 HB2 LEU 27 HB2 LEU 27 0.236 0.937 4.014
194 HB3 LEU 27 HB1 LEU 27 -1.136 0.151 3.288
195 HG LEU 27 HG LEU 27 -1.774 2.374 2.279
196 HD11 LEU 27 HD11 LEU 27 -0.609 3.839 3.768
197 HD12 LEU 27 HD12 LEU 27 -0.194 4.067 2.065
198 HD13 LEU 27 HD13 LEU 27 0.954 3.243 3.145
199 HD21 LEU 27 HD21 LEU 27 -0.112 2.323 0.540
200 HD22 LEU 27 HD22 LEU 27 -0.671 0.709 0.981
201 HD23 LEU 27 HD23 LEU 27 0.910 1.282 1.535
202 H SER 28 HN SER 28 -3.716 1.200 3.641
203 HA SER 28 HA SER 28 -4.332 3.897 4.266
204 HB2 SER 28 HB2 SER 28 -5.204 2.449 1.781
205 HB3 SER 28 HB1 SER 28 -5.580 4.107 2.310
206 HG SER 28 HG SER 28 -3.383 4.576 2.254
207 H SER 29 HN SER 29 -5.136 2.729 6.122
208 HA SER 29 HA SER 29 -7.505 1.160 6.043
209 HB2 SER 29 HB2 SER 29 -6.399 2.763 8.359
210 HB3 SER 29 HB1 SER 29 -7.684 1.565 8.484
211 HG SER 29 HG SER 29 -4.942 1.197 7.920
212 H THR 30 HN THR 30 -7.094 4.260 5.284
213 HA THR 30 HA THR 30 -9.284 5.632 6.310
214 HB THR 30 HB THR 30 -8.746 7.143 4.396
215 HG1 THR 30 HG1 THR 30 -7.473 6.390 2.826
216 HG21 THR 30 HG21 THR 30 -6.467 5.939 5.905
217 HG22 THR 30 HG22 THR 30 -7.503 7.238 6.504
218 HG23 THR 30 HG23 THR 30 -6.397 7.531 5.137
219 H ASN 31 HN ASN 31 -8.841 3.388 3.721
220 HA ASN 31 HA ASN 31 -11.315 3.891 2.342
221 HB2 ASN 31 HB2 ASN 31 -9.510 1.461 2.275
222 HB3 ASN 31 HB1 ASN 31 -10.912 1.664 1.238
223 HD21 ASN 31 HD21 ASN 31 -7.649 2.590 1.854
224 HD22 ASN 31 HD22 ASN 31 -7.422 3.512 0.413
225 H VAL 32 HN VAL 32 -10.365 2.212 5.040
226 HA VAL 32 HA VAL 32 -12.697 0.465 5.233
227 HB VAL 32 HB VAL 32 -10.638 0.939 7.384
228 HG11 VAL 32 HG11 VAL 32 -12.219 -1.508 6.672
229 HG12 VAL 32 HG12 VAL 32 -12.530 -0.408 8.012
230 HG13 VAL 32 HG13 VAL 32 -11.058 -1.385 7.995
231 HG21 VAL 32 HG21 VAL 32 -9.216 -0.831 6.443
232 HG22 VAL 32 HG22 VAL 32 -9.354 0.569 5.382
233 HG23 VAL 32 HG23 VAL 32 -10.263 -0.901 5.019
234 H GLY 33 HN GLY 33 -11.855 3.627 5.862
235 HA2 GLY 33 HA2 GLY 33 -13.047 5.320 6.871
236 HA3 GLY 33 HA1 GLY 33 -14.145 4.113 7.540
237 H SER 34 HN SER 34 -10.833 3.467 7.963
238 HA SER 34 HA SER 34 -9.514 3.221 9.751
239 HB2 SER 34 HB2 SER 34 -10.899 5.734 10.706
240 HB3 SER 34 HB1 SER 34 -9.363 5.071 11.293
241 HG SER 34 HG SER 34 -9.945 6.502 9.010
242 H ASN 35 HN ASN 35 -12.121 2.128 9.663
243 HA ASN 35 HA ASN 35 -13.583 1.961 12.088
244 HB2 ASN 35 HB2 ASN 35 -14.265 1.158 9.760
245 HB3 ASN 35 HB1 ASN 35 -13.248 -0.240 10.039
246 HD21 ASN 35 HD21 ASN 35 -16.022 -0.224 9.467
247 HD22 ASN 35 HD22 ASN 35 -16.825 -0.932 10.825
248 H THR 36 HN THR 36 -10.804 0.297 10.884
249 HA THR 36 HA THR 36 -10.663 -1.742 12.851
250 HB THR 36 HB THR 36 -8.399 -1.890 11.507
251 HG1 THR 36 HG1 THR 36 -8.325 -0.229 10.194
252 HG21 THR 36 HG21 THR 36 -9.612 -3.148 9.766
253 HG22 THR 36 HG22 THR 36 -11.122 -2.389 10.282
254 HG23 THR 36 HG23 THR 36 -10.271 -3.485 11.368
255 H TYC 37 HN ATY 37 -10.662 0.866 13.997
256 HA TYC 37 HA ATY 37 -9.688 2.277 15.385
257 HB1 TYC 37 HB1 ATY 37 -8.019 1.412 16.881
258 HB2 TYC 37 HB2 ATY 37 -7.808 -0.037 15.903
259 HD1 TYC 37 HD1 ATY 37 -9.468 -1.813 15.959
260 HD2 TYC 37 HD2 ATY 37 -9.995 1.718 18.261
261 HE1 TYC 37 HE1 ATY 37 -11.209 -2.938 17.271
262 HE2 TYC 37 HE2 ATY 37 -11.739 0.604 19.582
263 HH TYC 37 HH ATY 37 -13.275 -1.236 19.385
264 HT21 TYC 37 HT21 ATY 37 -9.110 3.497 13.557
265 HT22 TYC 37 HT22 ATY 37 -7.439 3.789 13.201
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 10.231 8.233 9.244
2 H2 LYS 1 HT2 LYS 1 11.248 7.038 9.823
3 H3 LYS 1 HT3 LYS 1 9.584 6.903 10.078
4 HA LYS 1 HA LYS 1 10.330 5.432 8.334
5 HB2 LYS 1 HB2 LYS 1 8.822 6.165 6.536
6 HB3 LYS 1 HB1 LYS 1 8.070 6.476 8.093
7 HG2 LYS 1 HG2 LYS 1 8.534 8.819 7.925
8 HG3 LYS 1 HG1 LYS 1 9.541 8.574 6.500
9 HD2 LYS 1 HD2 LYS 1 7.396 9.457 5.819
10 HD3 LYS 1 HD1 LYS 1 7.528 7.788 5.280
11 HE2 LYS 1 HE2 LYS 1 6.151 7.052 7.145
12 HE3 LYS 1 HE1 LYS 1 6.080 8.705 7.756
13 HZ1 LYS 1 HZ1 LYS 1 4.910 9.365 5.770
14 HZ2 LYS 1 HZ2 LYS 1 4.084 8.089 6.504
15 HZ3 LYS 1 HZ3 LYS 1 5.024 7.817 5.135
16 H CYS 2 HN CYS 2 10.703 5.824 5.741
17 HA CYS 2 HA CYS 2 12.723 7.885 5.450
18 HB2 CYS 2 HB2 CYS 2 13.825 6.337 3.790
19 HB3 CYS 2 HB1 CYS 2 13.986 5.841 5.483
20 H ASN 3 HN ASN 3 12.851 8.714 3.265
21 HA ASN 3 HA ASN 3 10.340 8.342 1.813
22 HB2 ASN 3 HB2 ASN 3 10.024 10.064 3.628
23 HB3 ASN 3 HB1 ASN 3 11.245 11.044 2.833
24 HD21 ASN 3 HD21 ASN 3 10.671 12.220 1.081
25 HD22 ASN 3 HD22 ASN 3 9.062 12.351 0.470
26 H THR 4 HN THR 4 13.306 8.004 1.425
27 HA THR 4 HA THR 4 13.637 9.772 -0.867
28 HB THR 4 HB THR 4 15.607 9.635 0.621
29 HG1 THR 4 HG1 THR 4 16.630 9.867 -1.192
30 HG21 THR 4 HG21 THR 4 15.663 6.696 -0.074
31 HG22 THR 4 HG22 THR 4 15.232 7.353 1.497
32 HG23 THR 4 HG23 THR 4 16.875 7.553 0.877
33 H ALA 5 HN ALA 5 14.448 8.771 -2.812
34 HA ALA 5 HA ALA 5 12.630 6.819 -3.775
35 HB1 ALA 5 HB1 ALA 5 13.516 8.605 -5.199
36 HB2 ALA 5 HB2 ALA 5 13.835 7.015 -5.895
37 HB3 ALA 5 HB3 ALA 5 15.126 7.896 -5.077
38 H THR 6 HN THR 6 15.665 6.625 -2.332
39 HA THR 6 HA THR 6 16.362 4.024 -3.326
40 HB THR 6 HB THR 6 17.437 5.688 -1.055
41 HG1 THR 6 HG1 THR 6 17.678 5.799 -3.786
42 HG21 THR 6 HG21 THR 6 18.075 3.365 -0.875
43 HG22 THR 6 HG22 THR 6 19.485 4.336 -1.326
44 HG23 THR 6 HG23 THR 6 18.651 3.347 -2.542
45 H CYS 7 HN CYS 7 14.163 5.142 -0.958
46 HA CYS 7 HA CYS 7 14.500 2.664 0.633
47 HB2 CYS 7 HB2 CYS 7 15.419 4.862 1.528
48 HB3 CYS 7 HB1 CYS 7 13.793 5.268 1.766
49 H ALA 8 HN ALA 8 12.344 5.397 -0.139
50 HA ALA 8 HA ALA 8 10.141 4.322 1.192
51 HB1 ALA 8 HB1 ALA 8 10.255 6.297 -1.077
52 HB2 ALA 8 HB2 ALA 8 10.354 6.675 0.639
53 HB3 ALA 8 HB3 ALA 8 8.858 6.017 -0.031
54 H THR 9 HN THR 9 11.652 3.772 -1.751
55 HA THR 9 HA THR 9 9.570 2.548 -3.270
56 HB THR 9 HB THR 9 11.600 1.532 -4.444
57 HG1 THR 9 HG1 THR 9 13.409 3.194 -3.790
58 HG21 THR 9 HG21 THR 9 10.340 3.482 -5.275
59 HG22 THR 9 HG22 THR 9 12.071 3.690 -5.552
60 HG23 THR 9 HG23 THR 9 11.286 4.531 -4.216
61 H GLN 10 HN GLN 10 11.767 1.575 -0.930
62 HA GLN 10 HA GLN 10 11.506 -1.269 -1.221
63 HB2 GLN 10 HB2 GLN 10 12.537 0.221 1.196
64 HB3 GLN 10 HB1 GLN 10 12.874 -1.452 0.755
65 HG2 GLN 10 HG2 GLN 10 13.797 1.034 -0.657
66 HG3 GLN 10 HG1 GLN 10 14.785 -0.089 0.272
67 HE21 GLN 10 HE21 GLN 10 14.830 0.849 -2.495
68 HE22 GLN 10 HE22 GLN 10 14.888 -0.575 -3.473
69 H ARG 11 HN ARG 11 10.106 1.274 0.610
70 HA ARG 11 HA ARG 11 8.440 -0.355 2.322
71 HB2 ARG 11 HB2 ARG 11 7.781 2.419 1.314
72 HB3 ARG 11 HB1 ARG 11 7.160 1.631 2.755
73 HG2 ARG 11 HG2 ARG 11 9.973 2.617 2.310
74 HG3 ARG 11 HG1 ARG 11 8.774 3.306 3.408
75 HD2 ARG 11 HD2 ARG 11 10.051 0.596 3.561
76 HD3 ARG 11 HD1 ARG 11 10.390 1.975 4.605
77 HE ARG 11 HE ARG 11 7.815 1.696 5.053
78 HH11 ARG 11 HH11 ARG 11 10.270 -0.845 4.867
79 HH12 ARG 11 HH12 ARG 11 9.465 -1.896 5.927
80 HH21 ARG 11 HH21 ARG 11 6.717 0.290 6.458
81 HH22 ARG 11 HH22 ARG 11 7.328 -1.245 6.873
82 H LEU 12 HN LEU 12 8.078 1.114 -0.802
83 HA LEU 12 HA LEU 12 5.533 0.207 -1.439
84 HB2 LEU 12 HB2 LEU 12 8.010 0.799 -2.920
85 HB3 LEU 12 HB1 LEU 12 6.628 0.401 -3.828
86 HG LEU 12 HG LEU 12 7.100 2.816 -2.084
87 HD11 LEU 12 HD11 LEU 12 6.369 2.547 -4.985
88 HD12 LEU 12 HD12 LEU 12 7.971 2.924 -4.361
89 HD13 LEU 12 HD13 LEU 12 6.641 4.060 -4.125
90 HD21 LEU 12 HD21 LEU 12 4.831 2.131 -1.593
91 HD22 LEU 12 HD22 LEU 12 4.481 1.952 -3.307
92 HD23 LEU 12 HD23 LEU 12 4.795 3.553 -2.634
93 H ALA 13 HN ALA 13 8.722 -1.236 -1.687
94 HA ALA 13 HA ALA 13 7.953 -3.525 -3.065
95 HB1 ALA 13 HB1 ALA 13 10.132 -4.446 -2.427
96 HB2 ALA 13 HB2 ALA 13 10.310 -3.193 -1.209
97 HB3 ALA 13 HB3 ALA 13 10.287 -2.759 -2.920
98 H ASN 14 HN ASN 14 7.856 -2.651 0.289
99 HA ASN 14 HA ASN 14 7.251 -5.326 1.217
100 HB2 ASN 14 HB2 ASN 14 7.189 -2.673 2.657
101 HB3 ASN 14 HB1 ASN 14 6.640 -4.190 3.376
102 HD21 ASN 14 HD21 ASN 14 9.357 -3.957 1.248
103 HD22 ASN 14 HD22 ASN 14 10.548 -4.295 2.454
104 H PHE 15 HN PHE 15 5.507 -2.977 -0.386
105 HA PHE 15 HA PHE 15 3.068 -3.371 1.048
106 HB2 PHE 15 HB2 PHE 15 3.013 -1.197 0.363
107 HB3 PHE 15 HB1 PHE 15 4.251 -1.487 -0.849
108 HD1 PHE 15 HD1 PHE 15 3.653 -2.021 -3.111
109 HD2 PHE 15 HD2 PHE 15 0.640 -1.353 -0.189
110 HE1 PHE 15 HE1 PHE 15 2.020 -1.847 -4.881
111 HE2 PHE 15 HE2 PHE 15 -1.047 -1.161 -1.975
112 HZ PHE 15 HZ PHE 15 -0.370 -1.408 -4.333
113 H LEU 16 HN LEU 16 4.904 -4.729 -1.475
114 HA LEU 16 HA LEU 16 2.581 -6.230 -2.258
115 HB2 LEU 16 HB2 LEU 16 2.747 -5.537 -4.271
116 HB3 LEU 16 HB1 LEU 16 3.586 -4.249 -3.599
117 HG LEU 16 HG LEU 16 5.180 -6.533 -4.751
118 HD11 LEU 16 HD11 LEU 16 3.783 -5.612 -6.524
119 HD12 LEU 16 HD12 LEU 16 5.468 -5.136 -6.743
120 HD13 LEU 16 HD13 LEU 16 4.301 -3.982 -6.095
121 HD21 LEU 16 HD21 LEU 16 6.932 -4.843 -4.829
122 HD22 LEU 16 HD22 LEU 16 6.290 -5.035 -3.188
123 HD23 LEU 16 HD23 LEU 16 5.796 -3.655 -4.175
124 H VAL 17 HN VAL 17 4.759 -6.794 -0.404
125 HA VAL 17 HA VAL 17 6.563 -8.589 -1.803
126 HB VAL 17 HB VAL 17 7.505 -7.095 -0.097
127 HG11 VAL 17 HG11 VAL 17 7.103 -7.415 2.283
128 HG12 VAL 17 HG12 VAL 17 5.890 -8.642 1.898
129 HG13 VAL 17 HG13 VAL 17 5.618 -6.974 1.431
130 HG21 VAL 17 HG21 VAL 17 8.682 -9.149 -0.523
131 HG22 VAL 17 HG22 VAL 17 7.686 -9.983 0.687
132 HG23 VAL 17 HG23 VAL 17 8.795 -8.694 1.183
133 H HIS 18 HN HIS 18 4.044 -8.781 0.596
134 HA HIS 18 HA HIS 18 3.655 -11.577 0.012
135 HB2 HIS 18 HB2 HIS 18 3.568 -12.148 2.265
136 HB3 HIS 18 HB1 HIS 18 5.172 -11.454 2.032
137 HD1 HIS 18 HD1 HIS 18 3.467 -11.781 4.836
138 HD2 HIS 18 HD2 HIS 18 3.993 -8.305 2.635
139 HE1 HIS 18 HE1 HIS 18 3.110 -9.916 6.451
140 HE2 HIS 18 HE2 HIS 18 3.224 -7.823 5.045
141 H SER 19 HN SER 19 2.461 -8.917 -0.478
142 HA SER 19 HA SER 19 0.323 -8.874 1.454
143 HB2 SER 19 HB2 SER 19 1.035 -6.685 -0.404
144 HB3 SER 19 HB1 SER 19 0.133 -6.631 1.101
145 HG SER 19 HG SER 19 2.049 -6.018 1.829
146 H SER 20 HN SER 20 -1.157 -10.013 0.665
147 HA SER 20 HA SER 20 -2.387 -9.274 -1.894
148 HB2 SER 20 HB2 SER 20 -2.265 -12.041 -0.670
149 HB3 SER 20 HB1 SER 20 -3.128 -11.617 -2.153
150 HG SER 20 HG SER 20 -1.240 -11.115 -3.117
151 H ASN 21 HN ASN 21 -2.656 -9.507 1.448
152 HA ASN 21 HA ASN 21 -5.543 -9.097 1.375
153 HB2 ASN 21 HB2 ASN 21 -3.869 -10.752 3.218
154 HB3 ASN 21 HB1 ASN 21 -5.523 -10.289 3.628
155 HD21 ASN 21 HD21 ASN 21 -4.356 -12.906 3.258
156 HD22 ASN 21 HD22 ASN 21 -5.232 -13.674 1.993
157 H ASN 22 HN ASN 22 -3.001 -7.314 1.574
158 HA ASN 22 HA ASN 22 -3.491 -6.110 4.153
159 HB2 ASN 22 HB2 ASN 22 -1.093 -7.495 3.258
160 HB3 ASN 22 HB1 ASN 22 -0.835 -5.911 3.961
161 HD21 ASN 22 HD21 ASN 22 -3.549 -7.844 4.926
162 HD22 ASN 22 HD22 ASN 22 -2.989 -8.330 6.438
163 H PHE 23 HN PHE 23 -1.792 -6.077 1.206
164 HA PHE 23 HA PHE 23 -0.926 -3.532 1.104
165 HB2 PHE 23 HB2 PHE 23 -0.533 -3.849 -1.200
166 HB3 PHE 23 HB1 PHE 23 -0.423 -5.377 -0.347
167 HD1 PHE 23 HD1 PHE 23 -1.631 -3.850 -3.191
168 HD2 PHE 23 HD2 PHE 23 -2.499 -6.718 -0.278
169 HE1 PHE 23 HE1 PHE 23 -3.130 -4.958 -4.807
170 HE2 PHE 23 HE2 PHE 23 -3.988 -7.891 -1.813
171 HZ PHE 23 HZ PHE 23 -4.339 -7.005 -4.125
172 H GLY 24 HN GLY 24 -2.005 -2.006 1.653
173 HA2 GLY 24 HA2 GLY 24 -3.480 -0.340 1.785
174 HA3 GLY 24 HA1 GLY 24 -3.986 -0.574 0.130
175 H ALA 25 HN ALA 25 -4.248 -3.118 2.434
176 HA ALA 25 HA ALA 25 -7.129 -2.941 2.448
177 HB1 ALA 25 HB1 ALA 25 -6.923 -5.149 3.578
178 HB2 ALA 25 HB2 ALA 25 -5.166 -4.914 3.567
179 HB3 ALA 25 HB3 ALA 25 -6.030 -5.074 2.042
180 H ILE 26 HN ILE 26 -4.278 -2.714 4.255
181 HA ILE 26 HA ILE 26 -5.731 -1.721 6.450
182 HB ILE 26 HB ILE 26 -4.292 -3.337 7.244
183 HG12 ILE 26 HG12 ILE 26 -2.708 -0.837 7.427
184 HG13 ILE 26 HG11 ILE 26 -4.049 -1.219 8.508
185 HG21 ILE 26 HG21 ILE 26 -3.016 -3.816 5.247
186 HG22 ILE 26 HG22 ILE 26 -1.881 -3.589 6.575
187 HG23 ILE 26 HG23 ILE 26 -2.157 -2.296 5.403
188 HD11 ILE 26 HD11 ILE 26 -2.740 -3.164 9.352
189 HD12 ILE 26 HD12 ILE 26 -1.933 -1.625 9.648
190 HD13 ILE 26 HD13 ILE 26 -1.394 -2.663 8.328
191 H LEU 27 HN LEU 27 -2.919 -0.999 4.399
192 HA LEU 27 HA LEU 27 -2.237 1.561 5.130
193 HB2 LEU 27 HB2 LEU 27 -0.698 0.809 3.671
194 HB3 LEU 27 HB1 LEU 27 -1.870 -0.264 2.952
195 HG LEU 27 HG LEU 27 -2.609 1.576 1.459
196 HD11 LEU 27 HD11 LEU 27 -1.229 3.479 1.117
197 HD12 LEU 27 HD12 LEU 27 -0.264 3.083 2.557
198 HD13 LEU 27 HD13 LEU 27 -1.990 3.487 2.707
199 HD21 LEU 27 HD21 LEU 27 -0.677 1.475 -0.001
200 HD22 LEU 27 HD22 LEU 27 -1.062 -0.093 0.704
201 HD23 LEU 27 HD23 LEU 27 0.295 0.845 1.328
202 H SER 28 HN SER 28 -4.542 0.590 2.721
203 HA SER 28 HA SER 28 -5.299 3.384 2.486
204 HB2 SER 28 HB2 SER 28 -6.014 1.070 0.697
205 HB3 SER 28 HB1 SER 28 -6.480 2.751 0.432
206 HG SER 28 HG SER 28 -4.239 3.257 0.363
207 H SER 29 HN SER 29 -6.137 0.547 3.786
208 HA SER 29 HA SER 29 -7.807 -0.285 5.085
209 HB2 SER 29 HB2 SER 29 -8.793 2.556 5.057
210 HB3 SER 29 HB1 SER 29 -9.279 1.321 6.213
211 HG SER 29 HG SER 29 -6.528 1.612 6.064
212 H THR 30 HN THR 30 -8.084 -0.278 2.173
213 HA THR 30 HA THR 30 -10.584 0.460 1.267
214 HB THR 30 HB THR 30 -8.766 -0.153 -0.269
215 HG1 THR 30 HG1 THR 30 -10.732 -0.248 -1.167
216 HG21 THR 30 HG21 THR 30 -9.245 -2.992 0.648
217 HG22 THR 30 HG22 THR 30 -7.764 -2.035 0.843
218 HG23 THR 30 HG23 THR 30 -8.283 -2.539 -0.757
219 H ASN 31 HN ASN 31 -9.702 -2.313 3.129
220 HA ASN 31 HA ASN 31 -12.313 -3.565 2.625
221 HB2 ASN 31 HB2 ASN 31 -9.776 -4.786 3.721
222 HB3 ASN 31 HB1 ASN 31 -11.309 -5.642 3.590
223 HD21 ASN 31 HD21 ASN 31 -8.778 -6.252 2.304
224 HD22 ASN 31 HD22 ASN 31 -9.072 -6.208 0.618
225 H VAL 32 HN VAL 32 -11.456 -1.371 4.569
226 HA VAL 32 HA VAL 32 -12.452 -2.593 7.043
227 HB VAL 32 HB VAL 32 -11.374 0.230 6.629
228 HG11 VAL 32 HG11 VAL 32 -11.635 -1.404 9.150
229 HG12 VAL 32 HG12 VAL 32 -12.684 -0.069 8.675
230 HG13 VAL 32 HG13 VAL 32 -10.980 0.228 9.030
231 HG21 VAL 32 HG21 VAL 32 -9.877 -2.222 7.519
232 HG22 VAL 32 HG22 VAL 32 -9.242 -0.571 7.513
233 HG23 VAL 32 HG23 VAL 32 -9.689 -1.357 5.994
234 H GLY 33 HN GLY 33 -13.881 -1.825 4.471
235 HA2 GLY 33 HA2 GLY 33 -16.191 -1.375 4.290
236 HA3 GLY 33 HA1 GLY 33 -16.089 -0.396 5.752
237 H SER 34 HN SER 34 -13.492 0.226 3.777
238 HA SER 34 HA SER 34 -14.511 2.813 3.148
239 HB2 SER 34 HB2 SER 34 -12.139 2.414 3.805
240 HB3 SER 34 HB1 SER 34 -11.912 1.473 2.339
241 HG SER 34 HG SER 34 -12.835 4.124 2.210
242 H ASN 35 HN ASN 35 -13.642 -0.131 1.386
243 HA ASN 35 HA ASN 35 -15.229 0.854 -0.889
244 HB2 ASN 35 HB2 ASN 35 -12.829 -0.910 -0.799
245 HB3 ASN 35 HB1 ASN 35 -13.815 -0.740 -2.261
246 HD21 ASN 35 HD21 ASN 35 -13.716 1.247 -3.346
247 HD22 ASN 35 HD22 ASN 35 -12.446 2.378 -3.073
248 H THR 36 HN THR 36 -14.621 -1.700 1.362
249 HA THR 36 HA THR 36 -16.173 -3.607 -0.019
250 HB THR 36 HB THR 36 -16.045 -4.733 2.315
251 HG1 THR 36 HG1 THR 36 -15.169 -3.607 3.755
252 HG21 THR 36 HG21 THR 36 -14.718 -5.429 0.375
253 HG22 THR 36 HG22 THR 36 -13.746 -5.481 1.846
254 HG23 THR 36 HG23 THR 36 -13.552 -4.149 0.708
255 H TYC 37 HN ATY 37 -18.178 -2.926 -0.384
256 HA TYC 37 HA ATY 37 -19.813 -2.111 1.904
257 HB1 TYC 37 HB1 ATY 37 -21.387 -1.175 0.296
258 HB2 TYC 37 HB2 ATY 37 -20.469 -1.846 -1.043
259 HD1 TYC 37 HD1 ATY 37 -19.580 0.232 1.955
260 HD2 TYC 37 HD2 ATY 37 -19.421 -0.226 -2.275
261 HE1 TYC 37 HE1 ATY 37 -18.266 2.300 1.779
262 HE2 TYC 37 HE2 ATY 37 -18.103 1.838 -2.454
263 HH TYC 37 HH ATY 37 -16.555 3.180 0.074
264 HT21 TYC 37 HT21 ATY 37 -20.375 -3.815 -1.135
265 HT22 TYC 37 HT22 ATY 37 -21.290 -5.113 -0.453
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 12.914 5.061 9.086
2 H2 LYS 1 HT2 LYS 1 11.888 5.423 10.387
3 H3 LYS 1 HT3 LYS 1 12.941 6.591 9.739
4 HA LYS 1 HA LYS 1 10.746 5.381 8.216
5 HB2 LYS 1 HB2 LYS 1 10.045 6.957 10.102
6 HB3 LYS 1 HB1 LYS 1 11.015 8.197 9.329
7 HG2 LYS 1 HG2 LYS 1 9.582 8.145 7.366
8 HG3 LYS 1 HG1 LYS 1 8.648 6.822 8.062
9 HD2 LYS 1 HD2 LYS 1 7.383 8.799 8.443
10 HD3 LYS 1 HD1 LYS 1 8.103 8.366 9.985
11 HE2 LYS 1 HE2 LYS 1 8.290 10.742 9.703
12 HE3 LYS 1 HE1 LYS 1 9.896 10.047 9.550
13 HZ1 LYS 1 HZ1 LYS 1 8.167 10.813 7.246
14 HZ2 LYS 1 HZ2 LYS 1 9.776 10.288 7.164
15 HZ3 LYS 1 HZ3 LYS 1 9.406 11.752 7.869
16 H CYS 2 HN CYS 2 10.898 5.938 6.019
17 HA CYS 2 HA CYS 2 12.909 7.899 5.349
18 HB2 CYS 2 HB2 CYS 2 13.819 6.356 3.587
19 HB3 CYS 2 HB1 CYS 2 14.231 5.950 5.252
20 H ASN 3 HN ASN 3 12.816 8.693 3.187
21 HA ASN 3 HA ASN 3 10.220 8.302 1.870
22 HB2 ASN 3 HB2 ASN 3 9.968 10.085 3.623
23 HB3 ASN 3 HB1 ASN 3 11.204 11.018 2.799
24 HD21 ASN 3 HD21 ASN 3 8.586 9.171 1.235
25 HD22 ASN 3 HD22 ASN 3 7.821 10.555 0.579
26 H THR 4 HN THR 4 13.175 7.955 1.362
27 HA THR 4 HA THR 4 13.564 9.739 -0.923
28 HB THR 4 HB THR 4 15.488 9.602 0.600
29 HG1 THR 4 HG1 THR 4 16.377 9.809 -1.302
30 HG21 THR 4 HG21 THR 4 14.989 7.390 1.548
31 HG22 THR 4 HG22 THR 4 16.671 7.527 1.018
32 HG23 THR 4 HG23 THR 4 15.496 6.647 0.033
33 H ALA 5 HN ALA 5 14.439 8.739 -2.862
34 HA ALA 5 HA ALA 5 12.654 6.824 -3.922
35 HB1 ALA 5 HB1 ALA 5 13.647 8.615 -5.263
36 HB2 ALA 5 HB2 ALA 5 13.952 7.027 -5.973
37 HB3 ALA 5 HB3 ALA 5 15.231 7.861 -5.090
38 H THR 6 HN THR 6 15.610 6.509 -2.317
39 HA THR 6 HA THR 6 16.167 3.876 -3.385
40 HB THR 6 HB THR 6 17.458 5.492 -1.186
41 HG1 THR 6 HG1 THR 6 17.582 5.521 -3.897
42 HG21 THR 6 HG21 THR 6 17.893 3.127 -0.913
43 HG22 THR 6 HG22 THR 6 19.366 3.955 -1.440
44 HG23 THR 6 HG23 THR 6 18.421 2.990 -2.588
45 H CYS 7 HN CYS 7 14.129 5.116 -0.961
46 HA CYS 7 HA CYS 7 14.417 2.628 0.624
47 HB2 CYS 7 HB2 CYS 7 15.392 4.836 1.481
48 HB3 CYS 7 HB1 CYS 7 13.768 5.219 1.790
49 H ALA 8 HN ALA 8 12.303 5.379 -0.200
50 HA ALA 8 HA ALA 8 10.050 4.371 1.136
51 HB1 ALA 8 HB1 ALA 8 8.793 5.964 -0.281
52 HB2 ALA 8 HB2 ALA 8 10.268 6.237 -1.226
53 HB3 ALA 8 HB3 ALA 8 10.211 6.695 0.474
54 H THR 9 HN THR 9 11.627 3.751 -1.802
55 HA THR 9 HA THR 9 9.565 2.434 -3.229
56 HB THR 9 HB THR 9 11.588 1.468 -4.418
57 HG1 THR 9 HG1 THR 9 13.421 3.092 -3.838
58 HG21 THR 9 HG21 THR 9 10.277 3.388 -5.237
59 HG22 THR 9 HG22 THR 9 12.001 3.621 -5.551
60 HG23 THR 9 HG23 THR 9 11.230 4.456 -4.204
61 H GLN 10 HN GLN 10 11.844 1.543 -0.888
62 HA GLN 10 HA GLN 10 11.597 -1.323 -1.083
63 HB2 GLN 10 HB2 GLN 10 12.574 0.325 1.259
64 HB3 GLN 10 HB1 GLN 10 12.818 -1.401 1.041
65 HG2 GLN 10 HG2 GLN 10 13.919 0.782 -0.687
66 HG3 GLN 10 HG1 GLN 10 14.809 -0.169 0.499
67 HE21 GLN 10 HE21 GLN 10 14.981 0.210 -2.351
68 HE22 GLN 10 HE22 GLN 10 15.075 -1.375 -3.056
69 H ARG 11 HN ARG 11 10.321 1.218 0.808
70 HA ARG 11 HA ARG 11 8.624 -0.346 2.523
71 HB2 ARG 11 HB2 ARG 11 7.916 2.447 1.588
72 HB3 ARG 11 HB1 ARG 11 7.498 1.690 3.115
73 HG2 ARG 11 HG2 ARG 11 10.219 2.679 2.265
74 HG3 ARG 11 HG1 ARG 11 9.161 3.405 3.472
75 HD2 ARG 11 HD2 ARG 11 10.453 0.688 3.639
76 HD3 ARG 11 HD1 ARG 11 11.026 2.150 4.439
77 HE ARG 11 HE ARG 11 8.378 1.741 5.173
78 HH11 ARG 11 HH11 ARG 11 11.509 0.168 5.649
79 HH12 ARG 11 HH12 ARG 11 11.118 -0.457 7.183
80 HH21 ARG 11 HH21 ARG 11 7.836 0.865 7.229
81 HH22 ARG 11 HH22 ARG 11 8.970 -0.080 8.095
82 H LEU 12 HN LEU 12 8.177 1.230 -0.594
83 HA LEU 12 HA LEU 12 5.593 0.420 -1.165
84 HB2 LEU 12 HB2 LEU 12 8.006 1.007 -2.746
85 HB3 LEU 12 HB1 LEU 12 6.587 0.609 -3.586
86 HG LEU 12 HG LEU 12 7.067 3.039 -1.843
87 HD11 LEU 12 HD11 LEU 12 7.929 3.208 -4.103
88 HD12 LEU 12 HD12 LEU 12 6.539 4.272 -3.892
89 HD13 LEU 12 HD13 LEU 12 6.356 2.747 -4.749
90 HD21 LEU 12 HD21 LEU 12 4.799 2.284 -1.368
91 HD22 LEU 12 HD22 LEU 12 4.459 2.170 -3.093
92 HD23 LEU 12 HD23 LEU 12 4.757 3.741 -2.359
93 H ALA 13 HN ALA 13 8.716 -1.169 -1.661
94 HA ALA 13 HA ALA 13 7.704 -3.313 -3.105
95 HB1 ALA 13 HB1 ALA 13 10.097 -2.776 -3.026
96 HB2 ALA 13 HB2 ALA 13 9.812 -4.462 -2.598
97 HB3 ALA 13 HB3 ALA 13 10.156 -3.278 -1.337
98 H ASN 14 HN ASN 14 7.784 -2.622 0.261
99 HA ASN 14 HA ASN 14 7.119 -5.301 1.082
100 HB2 ASN 14 HB2 ASN 14 7.140 -2.721 2.630
101 HB3 ASN 14 HB1 ASN 14 6.512 -4.228 3.308
102 HD21 ASN 14 HD21 ASN 14 9.249 -3.931 1.173
103 HD22 ASN 14 HD22 ASN 14 10.438 -4.466 2.300
104 H PHE 15 HN PHE 15 5.483 -2.700 -0.109
105 HA PHE 15 HA PHE 15 2.885 -3.465 0.785
106 HB2 PHE 15 HB2 PHE 15 2.651 -1.263 0.183
107 HB3 PHE 15 HB1 PHE 15 4.119 -1.349 -0.781
108 HD1 PHE 15 HD1 PHE 15 0.517 -1.113 -0.873
109 HD2 PHE 15 HD2 PHE 15 3.942 -2.238 -3.073
110 HE1 PHE 15 HE1 PHE 15 -0.778 -0.991 -2.967
111 HE2 PHE 15 HE2 PHE 15 2.768 -2.200 -5.094
112 HZ PHE 15 HZ PHE 15 0.316 -1.523 -5.122
113 H LEU 16 HN LEU 16 5.057 -4.494 -1.695
114 HA LEU 16 HA LEU 16 2.951 -6.057 -3.033
115 HB2 LEU 16 HB2 LEU 16 5.916 -5.883 -3.658
116 HB3 LEU 16 HB1 LEU 16 4.767 -6.912 -4.524
117 HG LEU 16 HG LEU 16 5.301 -5.250 -5.915
118 HD11 LEU 16 HD11 LEU 16 2.823 -4.309 -4.618
119 HD12 LEU 16 HD12 LEU 16 2.987 -5.523 -5.899
120 HD13 LEU 16 HD13 LEU 16 3.411 -3.834 -6.213
121 HD21 LEU 16 HD21 LEU 16 5.264 -2.788 -5.202
122 HD22 LEU 16 HD22 LEU 16 6.594 -3.834 -4.743
123 HD23 LEU 16 HD23 LEU 16 5.370 -3.455 -3.549
124 H VAL 17 HN VAL 17 5.968 -6.488 -1.342
125 HA VAL 17 HA VAL 17 6.782 -8.901 -1.625
126 HB VAL 17 HB VAL 17 7.607 -7.111 -0.076
127 HG11 VAL 17 HG11 VAL 17 7.275 -7.292 2.327
128 HG12 VAL 17 HG12 VAL 17 6.023 -8.502 2.042
129 HG13 VAL 17 HG13 VAL 17 5.792 -6.871 1.460
130 HG21 VAL 17 HG21 VAL 17 7.968 -10.013 0.573
131 HG22 VAL 17 HG22 VAL 17 8.833 -8.739 1.411
132 HG23 VAL 17 HG23 VAL 17 9.017 -8.919 -0.338
133 H HIS 18 HN HIS 18 4.368 -8.483 0.860
134 HA HIS 18 HA HIS 18 3.430 -11.276 0.500
135 HB2 HIS 18 HB2 HIS 18 4.074 -9.989 3.173
136 HB3 HIS 18 HB1 HIS 18 3.176 -11.482 2.995
137 HD1 HIS 18 HD1 HIS 18 4.673 -13.260 3.889
138 HD2 HIS 18 HD2 HIS 18 6.516 -10.500 1.505
139 HE1 HIS 18 HE1 HIS 18 7.036 -14.063 3.750
140 HE2 HIS 18 HE2 HIS 18 8.232 -12.157 2.615
141 H SER 19 HN SER 19 2.764 -8.437 -0.004
142 HA SER 19 HA SER 19 0.382 -8.187 1.655
143 HB2 SER 19 HB2 SER 19 1.864 -6.084 0.118
144 HB3 SER 19 HB1 SER 19 0.510 -5.805 1.199
145 HG SER 19 HG SER 19 2.981 -5.729 1.901
146 H SER 20 HN SER 20 1.438 -8.837 -1.399
147 HA SER 20 HA SER 20 -0.689 -7.667 -2.916
148 HB2 SER 20 HB2 SER 20 1.090 -9.973 -3.718
149 HB3 SER 20 HB1 SER 20 0.094 -9.007 -4.800
150 HG SER 20 HG SER 20 2.288 -8.141 -3.241
151 H ASN 21 HN ASN 21 -0.850 -10.138 -0.827
152 HA ASN 21 HA ASN 21 -3.211 -11.335 -2.136
153 HB2 ASN 21 HB2 ASN 21 -1.142 -12.395 -0.325
154 HB3 ASN 21 HB1 ASN 21 -2.730 -13.193 -0.388
155 HD21 ASN 21 HD21 ASN 21 0.292 -12.665 -1.888
156 HD22 ASN 21 HD22 ASN 21 0.124 -13.759 -3.203
157 H ASN 22 HN ASN 22 -2.498 -9.033 0.076
158 HA ASN 22 HA ASN 22 -4.505 -9.909 2.003
159 HB2 ASN 22 HB2 ASN 22 -1.683 -9.527 2.362
160 HB3 ASN 22 HB1 ASN 22 -2.736 -8.637 3.464
161 HD21 ASN 22 HD21 ASN 22 -3.728 -11.606 2.007
162 HD22 ASN 22 HD22 ASN 22 -3.630 -12.601 3.366
163 H PHE 23 HN PHE 23 -2.502 -7.435 0.768
164 HA PHE 23 HA PHE 23 -3.175 -5.353 2.328
165 HB2 PHE 23 HB2 PHE 23 -2.082 -3.970 0.669
166 HB3 PHE 23 HB1 PHE 23 -1.323 -5.540 0.847
167 HD1 PHE 23 HD1 PHE 23 -0.910 -3.586 -1.366
168 HD2 PHE 23 HD2 PHE 23 -3.418 -6.916 -0.885
169 HE1 PHE 23 HE1 PHE 23 -0.793 -3.949 -3.758
170 HE2 PHE 23 HE2 PHE 23 -3.366 -7.343 -3.304
171 HZ PHE 23 HZ PHE 23 -2.043 -5.835 -4.792
172 H GLY 24 HN GLY 24 -5.018 -5.008 2.844
173 HA2 GLY 24 HA2 GLY 24 -7.174 -4.319 2.896
174 HA3 GLY 24 HA1 GLY 24 -6.994 -3.490 1.387
175 H ALA 25 HN ALA 25 -6.619 -6.844 2.167
176 HA ALA 25 HA ALA 25 -9.048 -7.505 0.698
177 HB1 ALA 25 HB1 ALA 25 -8.036 -9.792 0.577
178 HB2 ALA 25 HB2 ALA 25 -6.642 -9.198 1.467
179 HB3 ALA 25 HB3 ALA 25 -6.968 -8.581 -0.145
180 H ILE 26 HN ILE 26 -6.957 -8.386 3.264
181 HA ILE 26 HA ILE 26 -9.053 -9.343 4.879
182 HB ILE 26 HB ILE 26 -7.028 -10.607 4.946
183 HG12 ILE 26 HG12 ILE 26 -6.948 -8.846 7.267
184 HG13 ILE 26 HG11 ILE 26 -8.167 -10.105 7.169
185 HG21 ILE 26 HG21 ILE 26 -5.442 -9.050 4.064
186 HG22 ILE 26 HG22 ILE 26 -4.839 -9.509 5.664
187 HG23 ILE 26 HG23 ILE 26 -5.695 -7.976 5.423
188 HD11 ILE 26 HD11 ILE 26 -6.260 -11.774 7.097
189 HD12 ILE 26 HD12 ILE 26 -6.357 -10.870 8.610
190 HD13 ILE 26 HD13 ILE 26 -5.156 -10.429 7.393
191 H LEU 27 HN LEU 27 -6.981 -6.549 4.574
192 HA LEU 27 HA LEU 27 -7.584 -5.335 7.028
193 HB2 LEU 27 HB2 LEU 27 -5.854 -4.110 6.282
194 HB3 LEU 27 HB1 LEU 27 -6.085 -4.763 4.684
195 HG LEU 27 HG LEU 27 -7.615 -2.854 4.151
196 HD11 LEU 27 HD11 LEU 27 -6.743 -1.714 6.786
197 HD12 LEU 27 HD12 LEU 27 -8.371 -2.262 6.303
198 HD13 LEU 27 HD13 LEU 27 -7.626 -0.901 5.475
199 HD21 LEU 27 HD21 LEU 27 -5.869 -1.207 3.915
200 HD22 LEU 27 HD22 LEU 27 -5.279 -2.821 3.513
201 HD23 LEU 27 HD23 LEU 27 -4.861 -2.086 5.063
202 H SER 28 HN SER 28 -8.907 -5.060 3.848
203 HA SER 28 HA SER 28 -10.738 -2.998 4.592
204 HB2 SER 28 HB2 SER 28 -11.553 -3.123 2.350
205 HB3 SER 28 HB1 SER 28 -9.799 -3.243 2.347
206 HG SER 28 HG SER 28 -10.286 -4.916 1.100
207 H SER 29 HN SER 29 -10.823 -6.435 4.430
208 HA SER 29 HA SER 29 -12.263 -8.012 4.978
209 HB2 SER 29 HB2 SER 29 -14.152 -5.800 5.879
210 HB3 SER 29 HB1 SER 29 -14.348 -7.522 6.225
211 HG SER 29 HG SER 29 -13.346 -6.162 7.874
212 H THR 30 HN THR 30 -12.207 -6.337 2.454
213 HA THR 30 HA THR 30 -12.769 -6.542 0.386
214 HB THR 30 HB THR 30 -13.832 -8.487 -0.465
215 HG1 THR 30 HG1 THR 30 -14.443 -8.973 2.263
216 HG21 THR 30 HG21 THR 30 -11.883 -9.058 1.717
217 HG22 THR 30 HG22 THR 30 -11.506 -8.652 0.023
218 HG23 THR 30 HG23 THR 30 -12.322 -10.179 0.428
219 H ASN 31 HN ASN 31 -15.566 -6.457 2.465
220 HA ASN 31 HA ASN 31 -17.272 -6.370 0.052
221 HB2 ASN 31 HB2 ASN 31 -17.459 -8.091 2.060
222 HB3 ASN 31 HB1 ASN 31 -18.407 -6.786 2.769
223 HD21 ASN 31 HD21 ASN 31 -18.150 -9.043 0.176
224 HD22 ASN 31 HD22 ASN 31 -19.799 -8.932 -0.350
225 H VAL 32 HN VAL 32 -15.743 -4.353 1.262
226 HA VAL 32 HA VAL 32 -17.739 -2.477 2.272
227 HB VAL 32 HB VAL 32 -15.851 -1.239 3.092
228 HG11 VAL 32 HG11 VAL 32 -16.886 -2.889 4.528
229 HG12 VAL 32 HG12 VAL 32 -15.154 -2.809 4.855
230 HG13 VAL 32 HG13 VAL 32 -15.810 -4.131 3.892
231 HG21 VAL 32 HG21 VAL 32 -13.573 -2.183 3.071
232 HG22 VAL 32 HG22 VAL 32 -14.160 -1.830 1.443
233 HG23 VAL 32 HG23 VAL 32 -14.148 -3.490 2.035
234 H GLY 33 HN GLY 33 -16.614 -3.341 -0.541
235 HA2 GLY 33 HA2 GLY 33 -16.844 -2.109 -2.558
236 HA3 GLY 33 HA1 GLY 33 -16.625 -0.626 -1.628
237 H SER 34 HN SER 34 -14.493 -3.182 -0.964
238 HA SER 34 HA SER 34 -12.493 -2.173 -2.786
239 HB2 SER 34 HB2 SER 34 -12.053 -2.360 0.204
240 HB3 SER 34 HB1 SER 34 -10.837 -1.911 -0.993
241 HG SER 34 HG SER 34 -12.776 -0.326 -1.492
242 H ASN 35 HN ASN 35 -12.440 -4.056 -3.870
243 HA ASN 35 HA ASN 35 -11.140 -6.266 -2.612
244 HB2 ASN 35 HB2 ASN 35 -13.485 -6.867 -2.199
245 HB3 ASN 35 HB1 ASN 35 -13.860 -6.590 -3.899
246 HD21 ASN 35 HD21 ASN 35 -14.552 -8.695 -4.204
247 HD22 ASN 35 HD22 ASN 35 -13.464 -10.025 -4.273
248 H THR 36 HN THR 36 -9.526 -6.307 -3.955
249 HA THR 36 HA THR 36 -9.964 -5.681 -6.753
250 HB THR 36 HB THR 36 -7.270 -6.202 -5.487
251 HG1 THR 36 HG1 THR 36 -7.376 -4.369 -4.447
252 HG21 THR 36 HG21 THR 36 -6.594 -4.489 -7.085
253 HG22 THR 36 HG22 THR 36 -8.292 -4.272 -7.538
254 HG23 THR 36 HG23 THR 36 -7.475 -5.788 -7.913
255 H TYC 37 HN ATY 37 -10.451 -8.310 -5.160
256 HA TYC 37 HA ATY 37 -8.941 -10.141 -6.885
257 HB1 TYC 37 HB1 ATY 37 -9.340 -11.846 -5.139
258 HB2 TYC 37 HB2 ATY 37 -10.212 -10.652 -4.187
259 HD1 TYC 37 HD1 ATY 37 -6.931 -11.862 -5.188
260 HD2 TYC 37 HD2 ATY 37 -9.012 -8.765 -3.148
261 HE1 TYC 37 HE1 ATY 37 -4.830 -11.134 -4.142
262 HE2 TYC 37 HE2 ATY 37 -6.918 -8.036 -2.109
263 HH TYC 37 HH ATY 37 -3.897 -9.171 -3.152
264 HT21 TYC 37 HT21 ATY 37 -10.301 -10.192 -8.585
265 HT22 TYC 37 HT22 ATY 37 -11.923 -10.797 -8.537
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 11.225 4.955 9.280
2 H2 LYS 1 HT2 LYS 1 9.717 5.248 10.005
3 H3 LYS 1 HT3 LYS 1 10.808 6.514 9.711
4 HA LYS 1 HA LYS 1 9.676 4.896 7.576
5 HB2 LYS 1 HB2 LYS 1 8.228 6.827 7.082
6 HB3 LYS 1 HB1 LYS 1 7.870 6.160 8.663
7 HG2 LYS 1 HG2 LYS 1 9.160 7.975 9.704
8 HG3 LYS 1 HG1 LYS 1 9.476 8.650 8.103
9 HD2 LYS 1 HD2 LYS 1 7.060 8.916 7.755
10 HD3 LYS 1 HD1 LYS 1 6.764 8.260 9.366
11 HE2 LYS 1 HE2 LYS 1 8.060 10.118 10.326
12 HE3 LYS 1 HE1 LYS 1 8.273 10.789 8.710
13 HZ1 LYS 1 HZ1 LYS 1 5.682 10.429 10.131
14 HZ2 LYS 1 HZ2 LYS 1 5.831 10.945 8.554
15 HZ3 LYS 1 HZ3 LYS 1 6.443 11.896 9.789
16 H CYS 2 HN CYS 2 10.087 5.933 5.503
17 HA CYS 2 HA CYS 2 12.109 7.970 5.453
18 HB2 CYS 2 HB2 CYS 2 13.480 6.562 3.852
19 HB3 CYS 2 HB1 CYS 2 13.552 6.069 5.543
20 H ASN 3 HN ASN 3 12.423 8.758 3.206
21 HA ASN 3 HA ASN 3 10.006 8.360 1.587
22 HB2 ASN 3 HB2 ASN 3 9.575 10.760 1.467
23 HB3 ASN 3 HB1 ASN 3 9.507 10.193 3.131
24 HD21 ASN 3 HD21 ASN 3 11.212 12.155 0.850
25 HD22 ASN 3 HD22 ASN 3 12.226 12.972 1.973
26 H THR 4 HN THR 4 13.047 8.000 1.394
27 HA THR 4 HA THR 4 13.464 9.654 -0.962
28 HB THR 4 HB THR 4 15.356 9.703 0.609
29 HG1 THR 4 HG1 THR 4 16.564 9.748 -1.101
30 HG21 THR 4 HG21 THR 4 14.993 7.505 1.673
31 HG22 THR 4 HG22 THR 4 16.657 7.696 1.111
32 HG23 THR 4 HG23 THR 4 15.516 6.724 0.180
33 H ALA 5 HN ALA 5 14.377 8.682 -2.827
34 HA ALA 5 HA ALA 5 12.738 6.613 -3.814
35 HB1 ALA 5 HB1 ALA 5 15.260 7.752 -4.999
36 HB2 ALA 5 HB2 ALA 5 13.641 8.417 -5.218
37 HB3 ALA 5 HB3 ALA 5 14.039 6.824 -5.869
38 H THR 6 HN THR 6 15.713 6.616 -2.210
39 HA THR 6 HA THR 6 16.616 4.063 -3.099
40 HB THR 6 HB THR 6 17.371 5.703 -0.685
41 HG1 THR 6 HG1 THR 6 17.783 6.082 -3.331
42 HG21 THR 6 HG21 THR 6 18.849 3.506 -2.143
43 HG22 THR 6 HG22 THR 6 18.070 3.383 -0.569
44 HG23 THR 6 HG23 THR 6 19.472 4.441 -0.769
45 H CYS 7 HN CYS 7 14.282 5.145 -0.768
46 HA CYS 7 HA CYS 7 14.621 2.685 0.861
47 HB2 CYS 7 HB2 CYS 7 15.296 5.014 1.702
48 HB3 CYS 7 HB1 CYS 7 13.632 5.269 1.794
49 H ALA 8 HN ALA 8 12.357 5.320 -0.000
50 HA ALA 8 HA ALA 8 10.105 4.177 1.198
51 HB1 ALA 8 HB1 ALA 8 10.320 6.132 -1.082
52 HB2 ALA 8 HB2 ALA 8 10.264 6.519 0.644
53 HB3 ALA 8 HB3 ALA 8 8.856 5.797 -0.144
54 H THR 9 HN THR 9 11.708 3.766 -1.745
55 HA THR 9 HA THR 9 9.617 2.551 -3.269
56 HB THR 9 HB THR 9 11.551 1.701 -4.619
57 HG1 THR 9 HG1 THR 9 13.468 3.198 -3.837
58 HG21 THR 9 HG21 THR 9 12.096 3.964 -5.457
59 HG22 THR 9 HG22 THR 9 11.379 4.654 -4.003
60 HG23 THR 9 HG23 THR 9 10.365 3.781 -5.156
61 H GLN 10 HN GLN 10 11.936 1.498 -1.042
62 HA GLN 10 HA GLN 10 11.677 -1.318 -1.523
63 HB2 GLN 10 HB2 GLN 10 12.782 -0.001 0.958
64 HB3 GLN 10 HB1 GLN 10 13.119 -1.639 0.386
65 HG2 GLN 10 HG2 GLN 10 14.033 0.985 -0.753
66 HG3 GLN 10 HG1 GLN 10 15.018 -0.287 -0.044
67 HE21 GLN 10 HE21 GLN 10 15.040 1.052 -2.601
68 HE22 GLN 10 HE22 GLN 10 15.027 -0.161 -3.823
69 H ARG 11 HN ARG 11 10.434 1.075 0.657
70 HA ARG 11 HA ARG 11 8.839 -0.653 2.307
71 HB2 ARG 11 HB2 ARG 11 8.069 2.166 1.540
72 HB3 ARG 11 HB1 ARG 11 7.662 1.307 3.011
73 HG2 ARG 11 HG2 ARG 11 10.397 2.312 2.256
74 HG3 ARG 11 HG1 ARG 11 9.302 3.072 3.406
75 HD2 ARG 11 HD2 ARG 11 10.548 0.354 3.627
76 HD3 ARG 11 HD1 ARG 11 11.031 1.819 4.490
77 HE ARG 11 HE ARG 11 8.392 1.492 5.093
78 HH11 ARG 11 HH11 ARG 11 11.318 -0.454 5.567
79 HH12 ARG 11 HH12 ARG 11 10.726 -1.270 6.939
80 HH21 ARG 11 HH21 ARG 11 7.585 0.368 6.973
81 HH22 ARG 11 HH22 ARG 11 8.553 -0.801 7.750
82 H LEU 12 HN LEU 12 8.287 1.075 -0.680
83 HA LEU 12 HA LEU 12 5.663 0.337 -1.186
84 HB2 LEU 12 HB2 LEU 12 8.046 0.951 -2.794
85 HB3 LEU 12 HB1 LEU 12 6.618 0.600 -3.644
86 HG LEU 12 HG LEU 12 7.190 2.944 -1.825
87 HD11 LEU 12 HD11 LEU 12 7.956 3.138 -4.134
88 HD12 LEU 12 HD12 LEU 12 6.642 4.257 -3.799
89 HD13 LEU 12 HD13 LEU 12 6.327 2.780 -4.701
90 HD21 LEU 12 HD21 LEU 12 4.889 3.716 -2.206
91 HD22 LEU 12 HD22 LEU 12 4.933 2.228 -1.277
92 HD23 LEU 12 HD23 LEU 12 4.507 2.183 -2.990
93 H ALA 13 HN ALA 13 8.740 -1.208 -1.913
94 HA ALA 13 HA ALA 13 7.638 -3.330 -3.338
95 HB1 ALA 13 HB1 ALA 13 9.815 -4.410 -3.090
96 HB2 ALA 13 HB2 ALA 13 10.256 -3.235 -1.851
97 HB3 ALA 13 HB3 ALA 13 9.986 -2.706 -3.510
98 H ASN 14 HN ASN 14 8.131 -2.732 0.008
99 HA ASN 14 HA ASN 14 7.574 -5.412 0.956
100 HB2 ASN 14 HB2 ASN 14 7.836 -2.778 2.390
101 HB3 ASN 14 HB1 ASN 14 7.390 -4.276 3.191
102 HD21 ASN 14 HD21 ASN 14 9.689 -4.273 0.612
103 HD22 ASN 14 HD22 ASN 14 11.081 -4.551 1.583
104 H PHE 15 HN PHE 15 5.634 -3.013 -0.339
105 HA PHE 15 HA PHE 15 3.525 -3.275 1.599
106 HB2 PHE 15 HB2 PHE 15 3.285 -1.101 1.006
107 HB3 PHE 15 HB1 PHE 15 4.486 -1.311 -0.257
108 HD1 PHE 15 HD1 PHE 15 0.939 -1.060 0.519
109 HD2 PHE 15 HD2 PHE 15 3.766 -1.783 -2.566
110 HE1 PHE 15 HE1 PHE 15 -0.802 -0.682 -1.173
111 HE2 PHE 15 HE2 PHE 15 2.036 -1.409 -4.256
112 HZ PHE 15 HZ PHE 15 -0.251 -0.856 -3.560
113 H LEU 16 HN LEU 16 4.700 -4.515 -1.324
114 HA LEU 16 HA LEU 16 2.215 -5.902 -1.676
115 HB2 LEU 16 HB2 LEU 16 2.115 -5.351 -3.738
116 HB3 LEU 16 HB1 LEU 16 2.916 -3.955 -3.186
117 HG LEU 16 HG LEU 16 4.458 -6.178 -4.548
118 HD11 LEU 16 HD11 LEU 16 3.368 -3.631 -5.720
119 HD12 LEU 16 HD12 LEU 16 2.832 -5.270 -6.104
120 HD13 LEU 16 HD13 LEU 16 4.464 -4.750 -6.530
121 HD21 LEU 16 HD21 LEU 16 6.136 -4.436 -4.838
122 HD22 LEU 16 HD22 LEU 16 5.772 -4.702 -3.135
123 HD23 LEU 16 HD23 LEU 16 5.108 -3.300 -3.970
124 H VAL 17 HN VAL 17 4.897 -6.470 -0.356
125 HA VAL 17 HA VAL 17 6.338 -8.144 -2.124
126 HB VAL 17 HB VAL 17 7.419 -6.879 -0.328
127 HG11 VAL 17 HG11 VAL 17 6.253 -8.867 1.609
128 HG12 VAL 17 HG12 VAL 17 5.860 -7.174 1.488
129 HG13 VAL 17 HG13 VAL 17 7.486 -7.659 1.998
130 HG21 VAL 17 HG21 VAL 17 8.973 -8.723 0.439
131 HG22 VAL 17 HG22 VAL 17 8.745 -8.496 -1.291
132 HG23 VAL 17 HG23 VAL 17 7.928 -9.827 -0.481
133 H HIS 18 HN HIS 18 4.581 -9.003 0.793
134 HA HIS 18 HA HIS 18 3.919 -11.557 -0.510
135 HB2 HIS 18 HB2 HIS 18 4.666 -11.106 2.386
136 HB3 HIS 18 HB1 HIS 18 3.848 -12.559 1.837
137 HD1 HIS 18 HD1 HIS 18 5.385 -14.419 1.336
138 HD2 HIS 18 HD2 HIS 18 7.081 -10.711 0.894
139 HE1 HIS 18 HE1 HIS 18 7.799 -14.903 0.788
140 HE2 HIS 18 HE2 HIS 18 8.671 -12.633 0.116
141 H SER 19 HN SER 19 2.850 -8.747 0.242
142 HA SER 19 HA SER 19 0.580 -9.197 1.796
143 HB2 SER 19 HB2 SER 19 1.191 -6.993 -0.159
144 HB3 SER 19 HB1 SER 19 0.012 -6.946 1.152
145 HG SER 19 HG SER 19 1.573 -6.224 2.270
146 H SER 20 HN SER 20 1.458 -9.985 -1.344
147 HA SER 20 HA SER 20 -0.654 -9.417 -3.058
148 HB2 SER 20 HB2 SER 20 1.216 -11.756 -3.094
149 HB3 SER 20 HB1 SER 20 0.433 -11.003 -4.495
150 HG SER 20 HG SER 20 2.666 -10.349 -4.022
151 H ASN 21 HN ASN 21 -0.578 -11.492 -0.547
152 HA ASN 21 HA ASN 21 -2.402 -13.502 -1.623
153 HB2 ASN 21 HB2 ASN 21 -0.743 -13.275 0.799
154 HB3 ASN 21 HB1 ASN 21 -2.179 -14.316 0.900
155 HD21 ASN 21 HD21 ASN 21 0.743 -14.803 0.937
156 HD22 ASN 21 HD22 ASN 21 1.025 -16.004 -0.263
157 H ASN 22 HN ASN 22 -2.528 -10.586 -0.016
158 HA ASN 22 HA ASN 22 -5.366 -11.049 0.493
159 HB2 ASN 22 HB2 ASN 22 -3.296 -9.686 2.033
160 HB3 ASN 22 HB1 ASN 22 -4.733 -8.707 1.867
161 HD21 ASN 22 HD21 ASN 22 -4.670 -12.235 1.941
162 HD22 ASN 22 HD22 ASN 22 -5.433 -12.412 3.467
163 H PHE 23 HN PHE 23 -2.911 -8.973 -0.556
164 HA PHE 23 HA PHE 23 -4.313 -6.961 -1.742
165 HB2 PHE 23 HB2 PHE 23 -1.758 -8.095 -1.669
166 HB3 PHE 23 HB1 PHE 23 -1.875 -7.201 -3.125
167 HD1 PHE 23 HD1 PHE 23 -1.724 -4.747 -2.892
168 HD2 PHE 23 HD2 PHE 23 -2.354 -7.184 0.520
169 HE1 PHE 23 HE1 PHE 23 -1.413 -2.795 -1.438
170 HE2 PHE 23 HE2 PHE 23 -2.042 -5.306 1.977
171 HZ PHE 23 HZ PHE 23 -1.566 -3.048 1.015
172 H GLY 24 HN GLY 24 -5.838 -7.559 -2.731
173 HA2 GLY 24 HA2 GLY 24 -7.085 -7.772 -4.571
174 HA3 GLY 24 HA1 GLY 24 -5.722 -8.199 -5.557
175 H ALA 25 HN ALA 25 -6.536 -9.751 -2.595
176 HA ALA 25 HA ALA 25 -7.735 -11.979 -4.022
177 HB1 ALA 25 HB1 ALA 25 -6.546 -11.723 -1.257
178 HB2 ALA 25 HB2 ALA 25 -5.798 -12.543 -2.621
179 HB3 ALA 25 HB3 ALA 25 -7.272 -13.203 -1.895
180 H ILE 26 HN ILE 26 -7.804 -10.240 -1.049
181 HA ILE 26 HA ILE 26 -10.604 -10.423 -0.926
182 HB ILE 26 HB ILE 26 -9.481 -10.762 1.142
183 HG12 ILE 26 HG12 ILE 26 -10.362 -7.981 1.127
184 HG13 ILE 26 HG11 ILE 26 -11.534 -9.292 1.189
185 HG21 ILE 26 HG21 ILE 26 -7.975 -9.005 2.132
186 HG22 ILE 26 HG22 ILE 26 -8.059 -8.191 0.547
187 HG23 ILE 26 HG23 ILE 26 -7.351 -9.783 0.672
188 HD11 ILE 26 HD11 ILE 26 -10.460 -9.993 3.375
189 HD12 ILE 26 HD12 ILE 26 -11.238 -8.414 3.443
190 HD13 ILE 26 HD13 ILE 26 -9.486 -8.525 3.294
191 H LEU 27 HN LEU 27 -8.069 -8.129 -1.683
192 HA LEU 27 HA LEU 27 -9.607 -5.784 -1.468
193 HB2 LEU 27 HB2 LEU 27 -7.492 -4.974 -1.576
194 HB3 LEU 27 HB1 LEU 27 -6.984 -6.551 -2.108
195 HG LEU 27 HG LEU 27 -7.162 -5.856 -4.467
196 HD11 LEU 27 HD11 LEU 27 -7.922 -3.154 -3.420
197 HD12 LEU 27 HD12 LEU 27 -8.896 -4.300 -4.387
198 HD13 LEU 27 HD13 LEU 27 -7.438 -3.594 -5.073
199 HD21 LEU 27 HD21 LEU 27 -5.051 -5.587 -3.328
200 HD22 LEU 27 HD22 LEU 27 -5.534 -3.985 -2.770
201 HD23 LEU 27 HD23 LEU 27 -5.301 -4.286 -4.492
202 H SER 28 HN SER 28 -8.772 -7.865 -4.034
203 HA SER 28 HA SER 28 -10.326 -6.351 -5.886
204 HB2 SER 28 HB2 SER 28 -8.952 -8.990 -6.179
205 HB3 SER 28 HB1 SER 28 -9.758 -8.163 -7.526
206 HG SER 28 HG SER 28 -8.297 -6.447 -7.228
207 H SER 29 HN SER 29 -10.780 -8.713 -3.693
208 HA SER 29 HA SER 29 -12.522 -9.778 -2.790
209 HB2 SER 29 HB2 SER 29 -14.144 -8.160 -4.727
210 HB3 SER 29 HB1 SER 29 -14.788 -8.988 -3.306
211 HG SER 29 HG SER 29 -12.799 -7.581 -2.387
212 H THR 30 HN THR 30 -11.176 -10.773 -5.223
213 HA THR 30 HA THR 30 -13.171 -12.435 -6.458
214 HB THR 30 HB THR 30 -11.234 -11.624 -7.761
215 HG1 THR 30 HG1 THR 30 -11.203 -13.393 -8.906
216 HG21 THR 30 HG21 THR 30 -9.568 -13.398 -5.958
217 HG22 THR 30 HG22 THR 30 -9.511 -11.640 -6.021
218 HG23 THR 30 HG23 THR 30 -8.978 -12.588 -7.409
219 H ASN 31 HN ASN 31 -11.183 -12.449 -3.705
220 HA ASN 31 HA ASN 31 -11.854 -15.229 -3.212
221 HB2 ASN 31 HB2 ASN 31 -9.453 -15.110 -3.783
222 HB3 ASN 31 HB1 ASN 31 -9.224 -13.868 -2.560
223 HD21 ASN 31 HD21 ASN 31 -9.116 -14.462 -0.441
224 HD22 ASN 31 HD22 ASN 31 -8.946 -16.096 0.085
225 H VAL 32 HN VAL 32 -13.606 -14.372 -2.305
226 HA VAL 32 HA VAL 32 -13.300 -13.743 0.529
227 HB VAL 32 HB VAL 32 -15.246 -12.240 -1.285
228 HG11 VAL 32 HG11 VAL 32 -16.206 -12.661 0.892
229 HG12 VAL 32 HG12 VAL 32 -15.820 -10.948 0.739
230 HG13 VAL 32 HG13 VAL 32 -14.773 -12.010 1.681
231 HG21 VAL 32 HG21 VAL 32 -12.874 -11.134 0.224
232 HG22 VAL 32 HG22 VAL 32 -14.016 -10.197 -0.745
233 HG23 VAL 32 HG23 VAL 32 -12.959 -11.382 -1.518
234 H GLY 33 HN GLY 33 -15.457 -14.381 -2.185
235 HA2 GLY 33 HA2 GLY 33 -16.459 -16.605 -2.292
236 HA3 GLY 33 HA1 GLY 33 -16.771 -16.454 -0.568
237 H SER 34 HN SER 34 -17.239 -13.555 -2.239
238 HA SER 34 HA SER 34 -20.104 -14.175 -2.379
239 HB2 SER 34 HB2 SER 34 -19.604 -12.943 -0.283
240 HB3 SER 34 HB1 SER 34 -18.993 -11.597 -1.236
241 HG SER 34 HG SER 34 -21.316 -11.896 -2.239
242 H ASN 35 HN ASN 35 -17.705 -11.708 -3.401
243 HA ASN 35 HA ASN 35 -19.328 -10.600 -5.440
244 HB2 ASN 35 HB2 ASN 35 -17.347 -9.462 -4.428
245 HB3 ASN 35 HB1 ASN 35 -16.296 -10.627 -5.210
246 HD21 ASN 35 HD21 ASN 35 -16.439 -7.713 -5.353
247 HD22 ASN 35 HD22 ASN 35 -16.600 -7.308 -7.014
248 H THR 36 HN THR 36 -17.132 -13.258 -5.367
249 HA THR 36 HA THR 36 -17.621 -13.758 -8.189
250 HB THR 36 HB THR 36 -15.724 -15.414 -7.906
251 HG1 THR 36 HG1 THR 36 -14.610 -15.404 -6.107
252 HG21 THR 36 HG21 THR 36 -15.428 -13.227 -8.974
253 HG22 THR 36 HG22 THR 36 -14.001 -13.668 -8.040
254 HG23 THR 36 HG23 THR 36 -15.153 -12.491 -7.397
255 H TYC 37 HN ATY 37 -19.222 -14.361 -5.618
256 HA TYC 37 HA ATY 37 -20.578 -15.896 -4.751
257 HB1 TYC 37 HB1 ATY 37 -21.883 -17.121 -6.365
258 HB2 TYC 37 HB2 ATY 37 -20.687 -16.816 -7.629
259 HD1 TYC 37 HD1 ATY 37 -20.497 -14.589 -8.631
260 HD2 TYC 37 HD2 ATY 37 -23.378 -15.389 -5.616
261 HE1 TYC 37 HE1 ATY 37 -21.635 -12.480 -9.169
262 HE2 TYC 37 HE2 ATY 37 -24.521 -13.289 -6.139
263 HH TYC 37 HH ATY 37 -23.775 -11.453 -8.932
264 HT21 TYC 37 HT21 ATY 37 -19.054 -16.962 -3.448
265 HT22 TYC 37 HT22 ATY 37 -18.543 -18.571 -3.811
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 10.530 5.290 10.134
2 H2 LYS 1 HT2 LYS 1 11.472 6.685 9.863
3 H3 LYS 1 HT3 LYS 1 11.973 5.205 9.264
4 HA LYS 1 HA LYS 1 10.263 5.081 7.737
5 HB2 LYS 1 HB2 LYS 1 9.393 7.781 8.816
6 HB3 LYS 1 HB1 LYS 1 8.751 7.001 7.384
7 HG2 LYS 1 HG2 LYS 1 7.898 5.162 8.759
8 HG3 LYS 1 HG1 LYS 1 8.545 5.953 10.197
9 HD2 LYS 1 HD2 LYS 1 6.175 6.403 10.015
10 HD3 LYS 1 HD1 LYS 1 7.089 7.887 9.755
11 HE2 LYS 1 HE2 LYS 1 6.808 7.642 7.341
12 HE3 LYS 1 HE1 LYS 1 5.920 6.140 7.588
13 HZ1 LYS 1 HZ1 LYS 1 4.209 7.380 8.742
14 HZ2 LYS 1 HZ2 LYS 1 4.457 8.046 7.218
15 HZ3 LYS 1 HZ3 LYS 1 5.091 8.802 8.580
16 H CYS 2 HN CYS 2 10.603 5.939 5.669
17 HA CYS 2 HA CYS 2 12.651 7.983 5.508
18 HB2 CYS 2 HB2 CYS 2 13.681 6.536 3.677
19 HB3 CYS 2 HB1 CYS 2 13.954 6.039 5.348
20 H ASN 3 HN ASN 3 12.890 8.795 3.234
21 HA ASN 3 HA ASN 3 10.271 8.798 1.867
22 HB2 ASN 3 HB2 ASN 3 10.190 11.217 1.855
23 HB3 ASN 3 HB1 ASN 3 10.356 10.660 3.515
24 HD21 ASN 3 HD21 ASN 3 11.815 12.401 0.934
25 HD22 ASN 3 HD22 ASN 3 13.169 13.015 1.798
26 H THR 4 HN THR 4 13.286 8.055 1.387
27 HA THR 4 HA THR 4 13.681 9.702 -0.992
28 HB THR 4 HB THR 4 15.634 9.644 0.493
29 HG1 THR 4 HG1 THR 4 16.936 9.539 -1.108
30 HG21 THR 4 HG21 THR 4 16.877 7.568 0.901
31 HG22 THR 4 HG22 THR 4 15.625 6.659 0.055
32 HG23 THR 4 HG23 THR 4 15.247 7.471 1.571
33 H ALA 5 HN ALA 5 14.432 8.668 -2.893
34 HA ALA 5 HA ALA 5 12.688 6.667 -3.834
35 HB1 ALA 5 HB1 ALA 5 13.607 8.395 -5.297
36 HB2 ALA 5 HB2 ALA 5 13.983 6.788 -5.921
37 HB3 ALA 5 HB3 ALA 5 15.221 7.723 -5.085
38 H THR 6 HN THR 6 15.711 6.519 -2.321
39 HA THR 6 HA THR 6 16.427 3.899 -3.222
40 HB THR 6 HB THR 6 17.426 5.547 -0.888
41 HG1 THR 6 HG1 THR 6 18.404 5.242 -3.535
42 HG21 THR 6 HG21 THR 6 18.672 3.182 -2.308
43 HG22 THR 6 HG22 THR 6 18.006 3.196 -0.672
44 HG23 THR 6 HG23 THR 6 19.448 4.147 -1.043
45 H CYS 7 HN CYS 7 14.174 5.100 -0.914
46 HA CYS 7 HA CYS 7 14.440 2.638 0.724
47 HB2 CYS 7 HB2 CYS 7 15.343 4.865 1.557
48 HB3 CYS 7 HB1 CYS 7 13.708 5.271 1.747
49 H ALA 8 HN ALA 8 12.293 5.381 -0.124
50 HA ALA 8 HA ALA 8 10.055 4.336 1.201
51 HB1 ALA 8 HB1 ALA 8 10.308 6.291 -1.061
52 HB2 ALA 8 HB2 ALA 8 10.251 6.662 0.672
53 HB3 ALA 8 HB3 ALA 8 8.824 6.001 -0.139
54 H THR 9 HN THR 9 11.579 3.807 -1.759
55 HA THR 9 HA THR 9 9.467 2.581 -3.239
56 HB THR 9 HB THR 9 11.454 1.599 -4.499
57 HG1 THR 9 HG1 THR 9 13.329 3.150 -3.823
58 HG21 THR 9 HG21 THR 9 10.244 3.632 -5.221
59 HG22 THR 9 HG22 THR 9 11.977 3.776 -5.531
60 HG23 THR 9 HG23 THR 9 11.260 4.599 -4.146
61 H GLN 10 HN GLN 10 11.719 1.586 -0.930
62 HA GLN 10 HA GLN 10 11.430 -1.251 -1.302
63 HB2 GLN 10 HB2 GLN 10 12.578 0.118 1.132
64 HB3 GLN 10 HB1 GLN 10 12.850 -1.546 0.617
65 HG2 GLN 10 HG2 GLN 10 13.843 0.977 -0.668
66 HG3 GLN 10 HG1 GLN 10 14.791 -0.281 0.112
67 HE21 GLN 10 HE21 GLN 10 14.769 0.906 -2.545
68 HE22 GLN 10 HE22 GLN 10 14.738 -0.405 -3.671
69 H ARG 11 HN ARG 11 10.087 1.232 0.630
70 HA ARG 11 HA ARG 11 8.528 -0.490 2.343
71 HB2 ARG 11 HB2 ARG 11 7.766 2.309 1.513
72 HB3 ARG 11 HB1 ARG 11 7.259 1.440 2.949
73 HG2 ARG 11 HG2 ARG 11 9.992 2.565 2.370
74 HG3 ARG 11 HG1 ARG 11 8.857 3.130 3.590
75 HD2 ARG 11 HD2 ARG 11 10.399 0.550 3.507
76 HD3 ARG 11 HD1 ARG 11 10.558 1.875 4.661
77 HE ARG 11 HE ARG 11 7.989 1.091 4.967
78 HH11 ARG 11 HH11 ARG 11 11.096 -0.612 5.276
79 HH12 ARG 11 HH12 ARG 11 10.478 -1.854 6.256
80 HH21 ARG 11 HH21 ARG 11 7.147 -0.661 6.326
81 HH22 ARG 11 HH22 ARG 11 8.206 -1.865 6.880
82 H LEU 12 HN LEU 12 8.048 1.101 -0.729
83 HA LEU 12 HA LEU 12 5.485 0.215 -1.304
84 HB2 LEU 12 HB2 LEU 12 7.917 0.835 -2.856
85 HB3 LEU 12 HB1 LEU 12 6.514 0.439 -3.727
86 HG LEU 12 HG LEU 12 7.050 2.866 -2.013
87 HD11 LEU 12 HD11 LEU 12 6.490 4.090 -4.041
88 HD12 LEU 12 HD12 LEU 12 6.176 2.573 -4.877
89 HD13 LEU 12 HD13 LEU 12 7.807 2.953 -4.331
90 HD21 LEU 12 HD21 LEU 12 4.370 2.031 -3.129
91 HD22 LEU 12 HD22 LEU 12 4.736 3.607 -2.437
92 HD23 LEU 12 HD23 LEU 12 4.791 2.172 -1.419
93 H ALA 13 HN ALA 13 8.678 -1.215 -1.711
94 HA ALA 13 HA ALA 13 7.894 -3.487 -3.096
95 HB1 ALA 13 HB1 ALA 13 10.259 -3.244 -1.241
96 HB2 ALA 13 HB2 ALA 13 10.233 -2.718 -2.918
97 HB3 ALA 13 HB3 ALA 13 10.062 -4.432 -2.534
98 H ASN 14 HN ASN 14 7.983 -2.728 0.299
99 HA ASN 14 HA ASN 14 7.375 -5.423 1.152
100 HB2 ASN 14 HB2 ASN 14 7.422 -2.833 2.674
101 HB3 ASN 14 HB1 ASN 14 6.893 -4.363 3.387
102 HD21 ASN 14 HD21 ASN 14 9.536 -3.917 1.160
103 HD22 ASN 14 HD22 ASN 14 10.796 -4.375 2.244
104 H PHE 15 HN PHE 15 5.558 -3.069 -0.316
105 HA PHE 15 HA PHE 15 3.198 -3.465 1.262
106 HB2 PHE 15 HB2 PHE 15 3.135 -1.270 0.656
107 HB3 PHE 15 HB1 PHE 15 4.280 -1.533 -0.652
108 HD1 PHE 15 HD1 PHE 15 0.731 -1.462 0.313
109 HD2 PHE 15 HD2 PHE 15 3.511 -1.911 -2.870
110 HE1 PHE 15 HE1 PHE 15 -1.090 -1.194 -1.317
111 HE2 PHE 15 HE2 PHE 15 1.743 -1.662 -4.494
112 HZ PHE 15 HZ PHE 15 -0.597 -1.286 -3.731
113 H LEU 16 HN LEU 16 4.876 -4.667 -1.444
114 HA LEU 16 HA LEU 16 2.550 -6.184 -2.170
115 HB2 LEU 16 HB2 LEU 16 2.559 -5.382 -4.151
116 HB3 LEU 16 HB1 LEU 16 3.410 -4.093 -3.474
117 HG LEU 16 HG LEU 16 4.952 -6.284 -4.871
118 HD11 LEU 16 HD11 LEU 16 3.413 -5.260 -6.466
119 HD12 LEU 16 HD12 LEU 16 5.080 -4.778 -6.788
120 HD13 LEU 16 HD13 LEU 16 3.978 -3.659 -5.984
121 HD21 LEU 16 HD21 LEU 16 6.195 -4.868 -3.315
122 HD22 LEU 16 HD22 LEU 16 5.588 -3.439 -4.160
123 HD23 LEU 16 HD23 LEU 16 6.674 -4.559 -4.991
124 H VAL 17 HN VAL 17 4.895 -6.713 -0.504
125 HA VAL 17 HA VAL 17 6.610 -8.377 -2.079
126 HB VAL 17 HB VAL 17 7.554 -7.022 -0.289
127 HG11 VAL 17 HG11 VAL 17 6.215 -8.782 1.731
128 HG12 VAL 17 HG12 VAL 17 5.722 -7.161 1.318
129 HG13 VAL 17 HG13 VAL 17 7.312 -7.437 2.041
130 HG21 VAL 17 HG21 VAL 17 8.935 -8.736 0.829
131 HG22 VAL 17 HG22 VAL 17 8.875 -8.818 -0.931
132 HG23 VAL 17 HG23 VAL 17 7.942 -9.970 0.035
133 H HIS 18 HN HIS 18 4.729 -9.220 0.770
134 HA HIS 18 HA HIS 18 4.107 -11.793 -0.562
135 HB2 HIS 18 HB2 HIS 18 4.257 -11.269 2.433
136 HB3 HIS 18 HB1 HIS 18 3.738 -12.773 1.698
137 HD1 HIS 18 HD1 HIS 18 5.536 -14.491 1.531
138 HD2 HIS 18 HD2 HIS 18 6.944 -10.625 1.624
139 HE1 HIS 18 HE1 HIS 18 8.020 -14.731 1.637
140 HE2 HIS 18 HE2 HIS 18 8.886 -12.382 1.456
141 H SER 19 HN SER 19 3.043 -8.854 0.531
142 HA SER 19 HA SER 19 0.521 -9.169 1.532
143 HB2 SER 19 HB2 SER 19 1.560 -7.020 -0.272
144 HB3 SER 19 HB1 SER 19 0.300 -6.875 0.949
145 HG SER 19 HG SER 19 1.849 -6.289 2.166
146 H SER 20 HN SER 20 1.726 -9.774 -1.468
147 HA SER 20 HA SER 20 -0.129 -8.972 -3.373
148 HB2 SER 20 HB2 SER 20 1.537 -11.459 -3.508
149 HB3 SER 20 HB1 SER 20 1.065 -10.378 -4.826
150 HG SER 20 HG SER 20 2.906 -9.449 -4.417
151 H ASN 21 HN ASN 21 -0.508 -11.325 -1.042
152 HA ASN 21 HA ASN 21 -2.525 -12.792 -2.585
153 HB2 ASN 21 HB2 ASN 21 -0.736 -13.461 -0.346
154 HB3 ASN 21 HB1 ASN 21 -2.118 -14.535 -0.719
155 HD21 ASN 21 HD21 ASN 21 1.096 -13.593 -1.393
156 HD22 ASN 21 HD22 ASN 21 1.359 -14.610 -2.757
157 H ASN 22 HN ASN 22 -2.365 -10.290 -0.330
158 HA ASN 22 HA ASN 22 -4.785 -11.157 1.015
159 HB2 ASN 22 HB2 ASN 22 -2.178 -10.770 2.096
160 HB3 ASN 22 HB1 ASN 22 -3.414 -9.719 2.799
161 HD21 ASN 22 HD21 ASN 22 -4.073 -12.789 1.381
162 HD22 ASN 22 HD22 ASN 22 -4.475 -13.620 2.801
163 H PHE 23 HN PHE 23 -2.602 -8.648 0.245
164 HA PHE 23 HA PHE 23 -3.803 -6.537 1.436
165 HB2 PHE 23 HB2 PHE 23 -2.245 -5.195 0.257
166 HB3 PHE 23 HB1 PHE 23 -1.592 -6.803 0.416
167 HD1 PHE 23 HD1 PHE 23 -2.691 -8.260 -1.589
168 HD2 PHE 23 HD2 PHE 23 -1.321 -4.312 -1.684
169 HE1 PHE 23 HE1 PHE 23 -2.157 -8.558 -3.950
170 HE2 PHE 23 HE2 PHE 23 -0.766 -4.509 -4.064
171 HZ PHE 23 HZ PHE 23 -1.194 -6.640 -5.246
172 H GLY 24 HN GLY 24 -5.721 -6.252 1.359
173 HA2 GLY 24 HA2 GLY 24 -7.885 -5.795 0.758
174 HA3 GLY 24 HA1 GLY 24 -7.282 -5.003 -0.677
175 H ALA 25 HN ALA 25 -6.546 -8.286 -0.161
176 HA ALA 25 HA ALA 25 -8.140 -9.097 -2.409
177 HB1 ALA 25 HB1 ALA 25 -5.850 -9.877 -2.203
178 HB2 ALA 25 HB2 ALA 25 -6.956 -11.253 -1.970
179 HB3 ALA 25 HB3 ALA 25 -6.197 -10.470 -0.583
180 H ILE 26 HN ILE 26 -7.650 -9.382 0.945
181 HA ILE 26 HA ILE 26 -10.011 -10.876 1.142
182 HB ILE 26 HB ILE 26 -8.317 -12.096 2.159
183 HG12 ILE 26 HG12 ILE 26 -9.530 -10.510 4.318
184 HG13 ILE 26 HG11 ILE 26 -10.366 -11.863 3.551
185 HG21 ILE 26 HG21 ILE 26 -6.575 -10.437 2.225
186 HG22 ILE 26 HG22 ILE 26 -6.722 -11.171 3.822
187 HG23 ILE 26 HG23 ILE 26 -7.410 -9.574 3.509
188 HD11 ILE 26 HD11 ILE 26 -8.571 -13.368 4.409
189 HD12 ILE 26 HD12 ILE 26 -9.466 -12.567 5.704
190 HD13 ILE 26 HD13 ILE 26 -7.866 -11.986 5.247
191 H LEU 27 HN LEU 27 -8.346 -7.965 2.538
192 HA LEU 27 HA LEU 27 -10.388 -7.549 4.409
193 HB2 LEU 27 HB2 LEU 27 -9.163 -5.620 4.997
194 HB3 LEU 27 HB1 LEU 27 -8.168 -7.043 4.909
195 HG LEU 27 HG LEU 27 -7.483 -6.060 2.591
196 HD11 LEU 27 HD11 LEU 27 -8.377 -3.558 4.024
197 HD12 LEU 27 HD12 LEU 27 -9.109 -4.232 2.570
198 HD13 LEU 27 HD13 LEU 27 -7.461 -3.614 2.516
199 HD21 LEU 27 HD21 LEU 27 -5.965 -6.380 4.436
200 HD22 LEU 27 HD22 LEU 27 -6.546 -4.882 5.180
201 HD23 LEU 27 HD23 LEU 27 -5.670 -4.826 3.647
202 H SER 28 HN SER 28 -9.793 -6.460 1.183
203 HA SER 28 HA SER 28 -11.294 -4.330 1.774
204 HB2 SER 28 HB2 SER 28 -10.342 -5.280 -0.904
205 HB3 SER 28 HB1 SER 28 -11.325 -3.825 -0.753
206 HG SER 28 HG SER 28 -9.777 -3.017 0.682
207 H SER 29 HN SER 29 -11.876 -7.442 0.865
208 HA SER 29 HA SER 29 -13.549 -8.827 0.567
209 HB2 SER 29 HB2 SER 29 -15.308 -6.503 1.261
210 HB3 SER 29 HB1 SER 29 -15.849 -8.187 1.215
211 HG SER 29 HG SER 29 -14.481 -6.850 3.126
212 H THR 30 HN THR 30 -13.774 -5.991 -1.316
213 HA THR 30 HA THR 30 -15.518 -6.846 -3.307
214 HB THR 30 HB THR 30 -14.815 -4.563 -3.389
215 HG1 THR 30 HG1 THR 30 -15.025 -5.665 -5.503
216 HG21 THR 30 HG21 THR 30 -12.656 -4.819 -2.283
217 HG22 THR 30 HG22 THR 30 -12.486 -3.847 -3.752
218 HG23 THR 30 HG23 THR 30 -11.978 -5.541 -3.737
219 H ASN 31 HN ASN 31 -12.126 -7.535 -2.841
220 HA ASN 31 HA ASN 31 -11.845 -9.015 -5.283
221 HB2 ASN 31 HB2 ASN 31 -10.042 -8.582 -2.928
222 HB3 ASN 31 HB1 ASN 31 -9.589 -9.621 -4.275
223 HD21 ASN 31 HD21 ASN 31 -9.035 -8.693 -6.199
224 HD22 ASN 31 HD22 ASN 31 -8.786 -7.000 -6.403
225 H VAL 32 HN VAL 32 -13.397 -9.759 -2.515
226 HA VAL 32 HA VAL 32 -12.687 -12.601 -2.625
227 HB VAL 32 HB VAL 32 -14.680 -11.274 -0.742
228 HG11 VAL 32 HG11 VAL 32 -14.233 -13.204 0.707
229 HG12 VAL 32 HG12 VAL 32 -13.167 -13.869 -0.530
230 HG13 VAL 32 HG13 VAL 32 -14.889 -13.676 -0.862
231 HG21 VAL 32 HG21 VAL 32 -11.767 -11.786 -0.193
232 HG22 VAL 32 HG22 VAL 32 -12.949 -11.139 0.953
233 HG23 VAL 32 HG23 VAL 32 -12.494 -10.213 -0.487
234 H GLY 33 HN GLY 33 -14.533 -10.456 -4.186
235 HA2 GLY 33 HA2 GLY 33 -16.090 -10.907 -5.838
236 HA3 GLY 33 HA1 GLY 33 -16.345 -12.498 -5.130
237 H SER 34 HN SER 34 -16.454 -9.782 -2.980
238 HA SER 34 HA SER 34 -19.286 -10.261 -2.597
239 HB2 SER 34 HB2 SER 34 -17.637 -10.151 -0.682
240 HB3 SER 34 HB1 SER 34 -17.366 -8.463 -1.077
241 HG SER 34 HG SER 34 -19.284 -9.601 0.382
242 H ASN 35 HN ASN 35 -17.226 -8.309 -4.309
243 HA ASN 35 HA ASN 35 -19.353 -6.594 -5.216
244 HB2 ASN 35 HB2 ASN 35 -18.174 -5.335 -3.387
245 HB3 ASN 35 HB1 ASN 35 -16.693 -5.504 -4.300
246 HD21 ASN 35 HD21 ASN 35 -19.775 -3.884 -4.254
247 HD22 ASN 35 HD22 ASN 35 -19.401 -2.733 -5.470
248 H THR 36 HN THR 36 -19.256 -7.273 -7.276
249 HA THR 36 HA THR 36 -16.604 -7.830 -8.380
250 HB THR 36 HB THR 36 -19.228 -8.706 -9.617
251 HG1 THR 36 HG1 THR 36 -18.822 -9.222 -7.239
252 HG21 THR 36 HG21 THR 36 -16.463 -9.943 -9.503
253 HG22 THR 36 HG22 THR 36 -17.102 -9.035 -10.872
254 HG23 THR 36 HG23 THR 36 -17.838 -10.572 -10.409
255 H TYC 37 HN ATY 37 -18.099 -5.212 -8.087
256 HA TYC 37 HA ATY 37 -18.669 -4.415 -10.799
257 HB1 TYC 37 HB1 ATY 37 -19.047 -2.160 -9.773
258 HB2 TYC 37 HB2 ATY 37 -18.642 -2.853 -8.210
259 HD1 TYC 37 HD1 ATY 37 -20.340 -3.756 -6.880
260 HD2 TYC 37 HD2 ATY 37 -20.980 -3.307 -11.053
261 HE1 TYC 37 HE1 ATY 37 -22.691 -4.437 -6.595
262 HE2 TYC 37 HE2 ATY 37 -23.319 -3.983 -10.770
263 HH TYC 37 HH ATY 37 -24.627 -5.272 -9.245
264 HT21 TYC 37 HT21 ATY 37 -16.742 -4.657 -11.829
265 HT22 TYC 37 HT22 ATY 37 -15.383 -3.618 -11.561
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 9.172 4.918 9.857
2 H2 LYS 1 HT2 LYS 1 10.009 6.396 9.692
3 H3 LYS 1 HT3 LYS 1 10.783 4.949 9.375
4 HA LYS 1 HA LYS 1 9.525 4.521 7.500
5 HB2 LYS 1 HB2 LYS 1 8.077 7.115 8.152
6 HB3 LYS 1 HB1 LYS 1 7.903 6.225 6.652
7 HG2 LYS 1 HG2 LYS 1 7.010 4.310 7.897
8 HG3 LYS 1 HG1 LYS 1 7.151 5.232 9.394
9 HD2 LYS 1 HD2 LYS 1 5.559 6.882 8.534
10 HD3 LYS 1 HD1 LYS 1 5.446 5.990 7.015
11 HE2 LYS 1 HE2 LYS 1 4.561 4.050 8.222
12 HE3 LYS 1 HE1 LYS 1 4.681 4.933 9.740
13 HZ1 LYS 1 HZ1 LYS 1 2.441 4.908 8.852
14 HZ2 LYS 1 HZ2 LYS 1 2.934 5.664 7.442
15 HZ3 LYS 1 HZ3 LYS 1 3.021 6.487 8.927
16 H CYS 2 HN CYS 2 9.942 5.635 5.393
17 HA CYS 2 HA CYS 2 11.903 7.756 5.613
18 HB2 CYS 2 HB2 CYS 2 13.304 6.506 3.920
19 HB3 CYS 2 HB1 CYS 2 13.310 5.838 5.554
20 H ASN 3 HN ASN 3 12.412 8.611 3.313
21 HA ASN 3 HA ASN 3 9.992 8.436 1.665
22 HB2 ASN 3 HB2 ASN 3 9.673 10.146 3.491
23 HB3 ASN 3 HB1 ASN 3 10.989 11.057 2.774
24 HD21 ASN 3 HD21 ASN 3 8.507 9.310 0.969
25 HD22 ASN 3 HD22 ASN 3 7.776 10.706 0.310
26 H THR 4 HN THR 4 13.043 8.025 1.491
27 HA THR 4 HA THR 4 13.564 9.825 -0.745
28 HB THR 4 HB THR 4 15.385 9.740 0.906
29 HG1 THR 4 HG1 THR 4 16.929 9.579 -0.550
30 HG21 THR 4 HG21 THR 4 14.895 7.520 1.814
31 HG22 THR 4 HG22 THR 4 16.603 7.667 1.360
32 HG23 THR 4 HG23 THR 4 15.467 6.799 0.312
33 H ALA 5 HN ALA 5 14.564 8.825 -2.667
34 HA ALA 5 HA ALA 5 12.874 6.768 -3.690
35 HB1 ALA 5 HB1 ALA 5 13.774 8.576 -5.111
36 HB2 ALA 5 HB2 ALA 5 14.146 6.972 -5.752
37 HB3 ALA 5 HB3 ALA 5 15.387 7.894 -4.901
38 H THR 6 HN THR 6 15.835 6.798 -2.089
39 HA THR 6 HA THR 6 16.765 4.247 -2.970
40 HB THR 6 HB THR 6 17.527 5.935 -0.574
41 HG1 THR 6 HG1 THR 6 19.077 6.808 -1.889
42 HG21 THR 6 HG21 THR 6 18.288 3.639 -0.389
43 HG22 THR 6 HG22 THR 6 19.664 4.714 -0.666
44 HG23 THR 6 HG23 THR 6 19.032 3.717 -1.988
45 H CYS 7 HN CYS 7 14.277 5.211 -0.838
46 HA CYS 7 HA CYS 7 14.577 2.732 0.767
47 HB2 CYS 7 HB2 CYS 7 15.294 4.944 1.718
48 HB3 CYS 7 HB1 CYS 7 13.646 5.324 1.757
49 H ALA 8 HN ALA 8 12.379 5.384 -0.169
50 HA ALA 8 HA ALA 8 10.069 4.314 0.937
51 HB1 ALA 8 HB1 ALA 8 10.442 6.167 -1.407
52 HB2 ALA 8 HB2 ALA 8 10.225 6.633 0.285
53 HB3 ALA 8 HB3 ALA 8 8.908 5.854 -0.599
54 H THR 9 HN THR 9 11.794 3.791 -1.882
55 HA THR 9 HA THR 9 9.761 2.557 -3.484
56 HB THR 9 HB THR 9 11.746 1.743 -4.778
57 HG1 THR 9 HG1 THR 9 13.597 3.307 -3.909
58 HG21 THR 9 HG21 THR 9 12.257 4.039 -5.601
59 HG22 THR 9 HG22 THR 9 11.493 4.698 -4.157
60 HG23 THR 9 HG23 THR 9 10.529 3.805 -5.330
61 H GLN 10 HN GLN 10 12.010 1.564 -1.185
62 HA GLN 10 HA GLN 10 11.894 -1.262 -1.660
63 HB2 GLN 10 HB2 GLN 10 12.793 0.077 0.886
64 HB3 GLN 10 HB1 GLN 10 13.277 -1.506 0.282
65 HG2 GLN 10 HG2 GLN 10 14.042 1.201 -0.777
66 HG3 GLN 10 HG1 GLN 10 15.089 0.020 0.003
67 HE21 GLN 10 HE21 GLN 10 15.183 1.341 -2.566
68 HE22 GLN 10 HE22 GLN 10 15.327 0.103 -3.763
69 H ARG 11 HN ARG 11 10.465 1.056 0.554
70 HA ARG 11 HA ARG 11 8.988 -0.937 1.899
71 HB2 ARG 11 HB2 ARG 11 7.728 0.792 3.040
72 HB3 ARG 11 HB1 ARG 11 9.427 1.233 2.984
73 HG2 ARG 11 HG2 ARG 11 8.167 3.225 2.685
74 HG3 ARG 11 HG1 ARG 11 8.864 2.788 1.123
75 HD2 ARG 11 HD2 ARG 11 6.545 3.507 0.813
76 HD3 ARG 11 HD1 ARG 11 6.803 1.782 0.469
77 HE ARG 11 HE ARG 11 6.004 1.572 2.923
78 HH11 ARG 11 HH11 ARG 11 4.610 3.716 0.461
79 HH12 ARG 11 HH12 ARG 11 3.021 3.572 1.057
80 HH21 ARG 11 HH21 ARG 11 3.847 1.381 3.715
81 HH22 ARG 11 HH22 ARG 11 2.568 2.197 2.950
82 H LEU 12 HN LEU 12 8.439 0.909 -0.967
83 HA LEU 12 HA LEU 12 5.779 0.289 -1.482
84 HB2 LEU 12 HB2 LEU 12 8.207 0.786 -3.051
85 HB3 LEU 12 HB1 LEU 12 6.836 0.387 -3.952
86 HG LEU 12 HG LEU 12 7.286 2.845 -2.255
87 HD11 LEU 12 HD11 LEU 12 6.851 4.020 -4.344
88 HD12 LEU 12 HD12 LEU 12 6.542 2.488 -5.151
89 HD13 LEU 12 HD13 LEU 12 8.159 2.856 -4.566
90 HD21 LEU 12 HD21 LEU 12 4.984 3.541 -2.848
91 HD22 LEU 12 HD22 LEU 12 5.017 2.156 -1.771
92 HD23 LEU 12 HD23 LEU 12 4.683 1.928 -3.489
93 H ALA 13 HN ALA 13 8.794 -1.396 -2.124
94 HA ALA 13 HA ALA 13 7.620 -3.521 -3.454
95 HB1 ALA 13 HB1 ALA 13 10.003 -3.044 -3.639
96 HB2 ALA 13 HB2 ALA 13 9.762 -4.702 -3.090
97 HB3 ALA 13 HB3 ALA 13 10.229 -3.449 -1.939
98 H ASN 14 HN ASN 14 8.100 -2.766 -0.114
99 HA ASN 14 HA ASN 14 7.467 -5.417 0.886
100 HB2 ASN 14 HB2 ASN 14 7.956 -2.844 2.372
101 HB3 ASN 14 HB1 ASN 14 7.452 -4.327 3.163
102 HD21 ASN 14 HD21 ASN 14 9.647 -3.923 0.534
103 HD22 ASN 14 HD22 ASN 14 11.068 -4.559 1.298
104 H PHE 15 HN PHE 15 5.477 -3.002 -0.331
105 HA PHE 15 HA PHE 15 3.560 -3.299 1.811
106 HB2 PHE 15 HB2 PHE 15 2.858 -1.224 1.172
107 HB3 PHE 15 HB1 PHE 15 4.259 -1.210 0.110
108 HD1 PHE 15 HD1 PHE 15 0.628 -1.569 0.310
109 HD2 PHE 15 HD2 PHE 15 3.970 -1.571 -2.305
110 HE1 PHE 15 HE1 PHE 15 -0.880 -1.327 -1.612
111 HE2 PHE 15 HE2 PHE 15 2.474 -1.332 -4.231
112 HZ PHE 15 HZ PHE 15 0.046 -1.208 -3.892
113 H LEU 16 HN LEU 16 4.519 -4.609 -1.109
114 HA LEU 16 HA LEU 16 2.018 -5.962 -1.247
115 HB2 LEU 16 HB2 LEU 16 1.724 -5.415 -3.289
116 HB3 LEU 16 HB1 LEU 16 2.627 -4.047 -2.829
117 HG LEU 16 HG LEU 16 3.789 -6.323 -4.457
118 HD11 LEU 16 HD11 LEU 16 3.793 -4.687 -6.280
119 HD12 LEU 16 HD12 LEU 16 2.938 -3.551 -5.236
120 HD13 LEU 16 HD13 LEU 16 2.165 -5.063 -5.712
121 HD21 LEU 16 HD21 LEU 16 5.689 -4.818 -4.804
122 HD22 LEU 16 HD22 LEU 16 5.484 -5.189 -3.093
123 HD23 LEU 16 HD23 LEU 16 4.951 -3.632 -3.727
124 H VAL 17 HN VAL 17 4.791 -6.536 -0.146
125 HA VAL 17 HA VAL 17 6.113 -8.302 -1.918
126 HB VAL 17 HB VAL 17 7.341 -7.039 -0.248
127 HG11 VAL 17 HG11 VAL 17 7.364 -7.514 2.115
128 HG12 VAL 17 HG12 VAL 17 6.169 -8.788 1.891
129 HG13 VAL 17 HG13 VAL 17 5.717 -7.126 1.594
130 HG21 VAL 17 HG21 VAL 17 8.812 -8.846 0.644
131 HG22 VAL 17 HG22 VAL 17 8.492 -8.910 -1.081
132 HG23 VAL 17 HG23 VAL 17 7.652 -10.021 0.001
133 H HIS 18 HN HIS 18 4.551 -9.117 1.127
134 HA HIS 18 HA HIS 18 3.650 -11.608 -0.175
135 HB2 HIS 18 HB2 HIS 18 4.161 -11.174 2.801
136 HB3 HIS 18 HB1 HIS 18 3.475 -12.622 2.090
137 HD1 HIS 18 HD1 HIS 18 5.119 -14.441 1.796
138 HD2 HIS 18 HD2 HIS 18 6.812 -10.681 1.615
139 HE1 HIS 18 HE1 HIS 18 7.588 -14.856 1.637
140 HE2 HIS 18 HE2 HIS 18 8.620 -12.567 1.741
141 H SER 19 HN SER 19 2.889 -8.629 0.818
142 HA SER 19 HA SER 19 0.404 -9.048 2.030
143 HB2 SER 19 HB2 SER 19 1.540 -6.618 0.683
144 HB3 SER 19 HB1 SER 19 0.148 -6.648 1.762
145 HG SER 19 HG SER 19 1.987 -7.838 3.091
146 H SER 20 HN SER 20 1.546 -9.258 -1.033
147 HA SER 20 HA SER 20 -0.343 -8.208 -2.756
148 HB2 SER 20 HB2 SER 20 0.661 -10.112 -4.205
149 HB3 SER 20 HB1 SER 20 1.696 -8.784 -3.643
150 HG SER 20 HG SER 20 2.479 -10.998 -3.307
151 H ASN 21 HN ASN 21 -0.500 -10.962 -0.804
152 HA ASN 21 HA ASN 21 -2.708 -12.176 -2.311
153 HB2 ASN 21 HB2 ASN 21 -0.694 -13.147 -0.373
154 HB3 ASN 21 HB1 ASN 21 -2.129 -14.142 -0.731
155 HD21 ASN 21 HD21 ASN 21 0.987 -13.015 -1.772
156 HD22 ASN 21 HD22 ASN 21 1.067 -13.928 -3.217
157 H ASN 22 HN ASN 22 -2.346 -9.968 0.164
158 HA ASN 22 HA ASN 22 -4.527 -11.102 1.702
159 HB2 ASN 22 HB2 ASN 22 -1.830 -10.694 2.427
160 HB3 ASN 22 HB1 ASN 22 -2.932 -9.703 3.388
161 HD21 ASN 22 HD21 ASN 22 -3.778 -12.712 1.842
162 HD22 ASN 22 HD22 ASN 22 -3.986 -13.620 3.250
163 H PHE 23 HN PHE 23 -2.675 -8.369 0.840
164 HA PHE 23 HA PHE 23 -3.923 -6.544 2.458
165 HB2 PHE 23 HB2 PHE 23 -2.401 -5.004 1.546
166 HB3 PHE 23 HB1 PHE 23 -1.757 -6.594 1.308
167 HD1 PHE 23 HD1 PHE 23 -1.907 -3.624 -0.272
168 HD2 PHE 23 HD2 PHE 23 -2.623 -7.684 -0.825
169 HE1 PHE 23 HE1 PHE 23 -1.476 -3.310 -2.676
170 HE2 PHE 23 HE2 PHE 23 -2.195 -7.498 -3.227
171 HZ PHE 23 HZ PHE 23 -1.614 -5.241 -4.193
172 H GLY 24 HN GLY 24 -5.877 -6.533 2.445
173 HA2 GLY 24 HA2 GLY 24 -8.073 -6.266 1.927
174 HA3 GLY 24 HA1 GLY 24 -7.668 -5.135 0.658
175 H ALA 25 HN ALA 25 -6.687 -8.453 1.015
176 HA ALA 25 HA ALA 25 -8.214 -9.179 -1.360
177 HB1 ALA 25 HB1 ALA 25 -6.653 -11.088 -1.499
178 HB2 ALA 25 HB2 ALA 25 -5.896 -10.549 -0.003
179 HB3 ALA 25 HB3 ALA 25 -5.770 -9.551 -1.454
180 H ILE 26 HN ILE 26 -7.251 -9.960 1.842
181 HA ILE 26 HA ILE 26 -9.342 -11.839 2.105
182 HB ILE 26 HB ILE 26 -7.286 -12.568 3.047
183 HG12 ILE 26 HG12 ILE 26 -8.823 -11.440 5.258
184 HG13 ILE 26 HG11 ILE 26 -9.380 -12.893 4.436
185 HG21 ILE 26 HG21 ILE 26 -6.097 -10.484 3.221
186 HG22 ILE 26 HG22 ILE 26 -6.084 -11.237 4.822
187 HG23 ILE 26 HG23 ILE 26 -7.205 -9.913 4.456
188 HD11 ILE 26 HD11 ILE 26 -6.873 -12.546 6.118
189 HD12 ILE 26 HD12 ILE 26 -7.213 -13.987 5.161
190 HD13 ILE 26 HD13 ILE 26 -8.272 -13.553 6.502
191 H LEU 27 HN LEU 27 -8.309 -8.675 3.217
192 HA LEU 27 HA LEU 27 -10.310 -8.226 5.129
193 HB2 LEU 27 HB2 LEU 27 -8.891 -6.481 5.497
194 HB3 LEU 27 HB1 LEU 27 -8.120 -6.885 3.981
195 HG LEU 27 HG LEU 27 -9.618 -5.276 2.810
196 HD11 LEU 27 HD11 LEU 27 -10.791 -3.605 4.042
197 HD12 LEU 27 HD12 LEU 27 -10.501 -4.473 5.566
198 HD13 LEU 27 HD13 LEU 27 -11.481 -5.207 4.274
199 HD21 LEU 27 HD21 LEU 27 -8.480 -3.269 3.612
200 HD22 LEU 27 HD22 LEU 27 -7.375 -4.636 3.469
201 HD23 LEU 27 HD23 LEU 27 -7.965 -4.142 5.054
202 H SER 28 HN SER 28 -10.010 -7.387 1.787
203 HA SER 28 HA SER 28 -12.634 -6.344 1.804
204 HB2 SER 28 HB2 SER 28 -10.765 -6.853 -0.477
205 HB3 SER 28 HB1 SER 28 -12.280 -5.935 -0.607
206 HG SER 28 HG SER 28 -10.688 -4.444 -0.231
207 H SER 29 HN SER 29 -11.089 -9.273 1.203
208 HA SER 29 HA SER 29 -11.739 -11.423 0.871
209 HB2 SER 29 HB2 SER 29 -14.523 -10.501 1.227
210 HB3 SER 29 HB1 SER 29 -13.852 -12.067 1.683
211 HG SER 29 HG SER 29 -12.459 -10.610 3.183
212 H THR 30 HN THR 30 -11.626 -9.622 -1.360
213 HA THR 30 HA THR 30 -13.783 -9.644 -3.094
214 HB THR 30 HB THR 30 -11.867 -9.084 -4.699
215 HG1 THR 30 HG1 THR 30 -9.875 -8.764 -3.640
216 HG21 THR 30 HG21 THR 30 -13.235 -7.398 -3.543
217 HG22 THR 30 HG22 THR 30 -11.535 -6.895 -3.579
218 HG23 THR 30 HG23 THR 30 -12.227 -7.603 -2.112
219 H ASN 31 HN ASN 31 -11.058 -11.720 -2.682
220 HA ASN 31 HA ASN 31 -11.958 -13.354 -4.929
221 HB2 ASN 31 HB2 ASN 31 -9.748 -14.460 -4.937
222 HB3 ASN 31 HB1 ASN 31 -9.613 -12.712 -5.114
223 HD21 ASN 31 HD21 ASN 31 -8.768 -11.511 -3.463
224 HD22 ASN 31 HD22 ASN 31 -7.969 -12.266 -2.138
225 H VAL 32 HN VAL 32 -12.540 -13.184 -1.873
226 HA VAL 32 HA VAL 32 -12.242 -16.012 -1.196
227 HB VAL 32 HB VAL 32 -13.379 -13.782 0.522
228 HG11 VAL 32 HG11 VAL 32 -13.979 -16.002 1.306
229 HG12 VAL 32 HG12 VAL 32 -12.827 -15.254 2.413
230 HG13 VAL 32 HG13 VAL 32 -12.285 -16.489 1.280
231 HG21 VAL 32 HG21 VAL 32 -10.535 -14.788 0.438
232 HG22 VAL 32 HG22 VAL 32 -11.178 -13.619 1.596
233 HG23 VAL 32 HG23 VAL 32 -11.100 -13.214 -0.119
234 H GLY 33 HN GLY 33 -14.452 -13.827 -2.511
235 HA2 GLY 33 HA2 GLY 33 -16.556 -14.259 -3.367
236 HA3 GLY 33 HA1 GLY 33 -16.501 -15.842 -2.595
237 H SER 34 HN SER 34 -15.780 -13.073 -0.748
238 HA SER 34 HA SER 34 -18.325 -13.398 0.677
239 HB2 SER 34 HB2 SER 34 -15.918 -11.913 1.722
240 HB3 SER 34 HB1 SER 34 -17.216 -12.673 2.629
241 HG SER 34 HG SER 34 -16.336 -14.681 1.537
242 H ASN 35 HN ASN 35 -15.883 -10.912 0.025
243 HA ASN 35 HA ASN 35 -15.881 -8.905 -0.822
244 HB2 ASN 35 HB2 ASN 35 -18.716 -9.487 -1.685
245 HB3 ASN 35 HB1 ASN 35 -17.886 -7.978 -2.088
246 HD21 ASN 35 HD21 ASN 35 -18.966 -10.002 -3.848
247 HD22 ASN 35 HD22 ASN 35 -17.655 -10.575 -4.798
248 H THR 36 HN THR 36 -15.467 -8.228 1.075
249 HA THR 36 HA THR 36 -17.680 -7.405 2.749
250 HB THR 36 HB THR 36 -14.828 -7.671 3.682
251 HG1 THR 36 HG1 THR 36 -14.972 -9.780 3.411
252 HG21 THR 36 HG21 THR 36 -15.950 -8.270 5.758
253 HG22 THR 36 HG22 THR 36 -17.501 -8.206 4.916
254 HG23 THR 36 HG23 THR 36 -16.572 -6.715 5.166
255 H TYC 37 HN ATY 37 -15.624 -6.235 0.591
256 HA TYC 37 HA ATY 37 -14.667 -4.285 -0.001
257 HB1 TYC 37 HB1 ATY 37 -16.132 -2.349 0.245
258 HB2 TYC 37 HB2 ATY 37 -17.179 -3.261 1.332
259 HD1 TYC 37 HD1 ATY 37 -16.248 -2.628 -2.118
260 HD2 TYC 37 HD2 ATY 37 -18.468 -5.207 0.428
261 HE1 TYC 37 HE1 ATY 37 -17.462 -3.485 -4.059
262 HE2 TYC 37 HE2 ATY 37 -19.693 -6.075 -1.518
263 HH TYC 37 HH ATY 37 -20.275 -5.266 -3.754
264 HT21 TYC 37 HT21 ATY 37 -12.781 -4.264 1.183
265 HT22 TYC 37 HT22 ATY 37 -12.574 -3.246 2.556
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 10.112 3.835 9.501
2 H2 LYS 1 HT2 LYS 1 11.506 4.796 9.456
3 H3 LYS 1 HT3 LYS 1 11.276 3.599 8.307
4 HA LYS 1 HA LYS 1 9.441 4.760 7.353
5 HB2 LYS 1 HB2 LYS 1 8.651 5.786 9.489
6 HB3 LYS 1 HB1 LYS 1 10.045 6.851 9.467
7 HG2 LYS 1 HG2 LYS 1 9.246 7.812 7.344
8 HG3 LYS 1 HG1 LYS 1 7.817 6.789 7.446
9 HD2 LYS 1 HD2 LYS 1 7.183 7.868 9.545
10 HD3 LYS 1 HD1 LYS 1 8.626 8.881 9.467
11 HE2 LYS 1 HE2 LYS 1 6.365 8.853 7.461
12 HE3 LYS 1 HE1 LYS 1 6.639 10.086 8.687
13 HZ1 LYS 1 HZ1 LYS 1 8.739 10.642 7.605
14 HZ2 LYS 1 HZ2 LYS 1 7.461 10.763 6.508
15 HZ3 LYS 1 HZ3 LYS 1 8.487 9.441 6.450
16 H CYS 2 HN CYS 2 10.079 5.770 5.479
17 HA CYS 2 HA CYS 2 12.231 7.620 5.522
18 HB2 CYS 2 HB2 CYS 2 13.515 6.291 3.793
19 HB3 CYS 2 HB1 CYS 2 13.608 5.716 5.467
20 H ASN 3 HN ASN 3 12.539 8.616 3.371
21 HA ASN 3 HA ASN 3 10.154 8.307 1.704
22 HB2 ASN 3 HB2 ASN 3 9.697 10.006 3.521
23 HB3 ASN 3 HB1 ASN 3 10.981 10.988 2.839
24 HD21 ASN 3 HD21 ASN 3 8.663 9.122 0.936
25 HD22 ASN 3 HD22 ASN 3 7.882 10.479 0.232
26 H THR 4 HN THR 4 13.130 7.942 1.492
27 HA THR 4 HA THR 4 13.633 9.770 -0.730
28 HB THR 4 HB THR 4 15.484 9.578 0.891
29 HG1 THR 4 HG1 THR 4 16.695 9.827 -0.712
30 HG21 THR 4 HG21 THR 4 15.558 6.661 0.155
31 HG22 THR 4 HG22 THR 4 15.026 7.312 1.699
32 HG23 THR 4 HG23 THR 4 16.713 7.487 1.204
33 H ALA 5 HN ALA 5 14.471 8.832 -2.691
34 HA ALA 5 HA ALA 5 12.742 6.880 -3.768
35 HB1 ALA 5 HB1 ALA 5 15.308 7.950 -4.927
36 HB2 ALA 5 HB2 ALA 5 13.720 8.694 -5.096
37 HB3 ALA 5 HB3 ALA 5 14.034 7.113 -5.814
38 H THR 6 HN THR 6 15.698 6.652 -2.181
39 HA THR 6 HA THR 6 16.406 4.064 -3.211
40 HB THR 6 HB THR 6 17.471 5.735 -0.939
41 HG1 THR 6 HG1 THR 6 17.999 5.549 -3.687
42 HG21 THR 6 HG21 THR 6 19.488 4.337 -1.105
43 HG22 THR 6 HG22 THR 6 18.672 3.322 -2.309
44 HG23 THR 6 HG23 THR 6 18.057 3.412 -0.653
45 H CYS 7 HN CYS 7 14.174 5.169 -0.899
46 HA CYS 7 HA CYS 7 14.456 2.656 0.651
47 HB2 CYS 7 HB2 CYS 7 15.300 4.880 1.626
48 HB3 CYS 7 HB1 CYS 7 13.651 5.208 1.801
49 H ALA 8 HN ALA 8 12.292 5.355 -0.212
50 HA ALA 8 HA ALA 8 10.016 4.255 1.001
51 HB1 ALA 8 HB1 ALA 8 10.181 6.590 0.424
52 HB2 ALA 8 HB2 ALA 8 8.788 5.863 -0.385
53 HB3 ALA 8 HB3 ALA 8 10.273 6.193 -1.292
54 H THR 9 HN THR 9 11.711 3.720 -1.820
55 HA THR 9 HA THR 9 9.715 2.429 -3.418
56 HB THR 9 HB THR 9 11.779 1.527 -4.608
57 HG1 THR 9 HG1 THR 9 13.534 3.217 -3.849
58 HG21 THR 9 HG21 THR 9 10.501 3.502 -5.358
59 HG22 THR 9 HG22 THR 9 12.233 3.737 -5.616
60 HG23 THR 9 HG23 THR 9 11.433 4.513 -4.252
61 H GLN 10 HN GLN 10 11.901 1.533 -1.031
62 HA GLN 10 HA GLN 10 11.720 -1.332 -1.288
63 HB2 GLN 10 HB2 GLN 10 12.574 0.222 1.170
64 HB3 GLN 10 HB1 GLN 10 12.918 -1.463 0.810
65 HG2 GLN 10 HG2 GLN 10 13.964 0.918 -0.686
66 HG3 GLN 10 HG1 GLN 10 14.862 -0.066 0.464
67 HE21 GLN 10 HE21 GLN 10 15.147 0.549 -2.359
68 HE22 GLN 10 HE22 GLN 10 15.377 -0.957 -3.172
69 H ARG 11 HN ARG 11 10.310 1.209 0.547
70 HA ARG 11 HA ARG 11 8.589 -0.371 2.199
71 HB2 ARG 11 HB2 ARG 11 7.973 2.403 1.140
72 HB3 ARG 11 HB1 ARG 11 7.252 1.635 2.539
73 HG2 ARG 11 HG2 ARG 11 10.099 2.568 2.267
74 HG3 ARG 11 HG1 ARG 11 8.830 3.330 3.226
75 HD2 ARG 11 HD2 ARG 11 10.066 0.640 3.596
76 HD3 ARG 11 HD1 ARG 11 10.293 2.064 4.617
77 HE ARG 11 HE ARG 11 7.604 1.660 4.691
78 HH11 ARG 11 HH11 ARG 11 10.361 -0.397 5.571
79 HH12 ARG 11 HH12 ARG 11 9.458 -1.385 6.624
80 HH21 ARG 11 HH21 ARG 11 6.373 0.298 6.152
81 HH22 ARG 11 HH22 ARG 11 7.152 -0.967 6.971
82 H LEU 12 HN LEU 12 8.253 1.063 -0.976
83 HA LEU 12 HA LEU 12 5.675 0.237 -1.598
84 HB2 LEU 12 HB2 LEU 12 8.158 0.736 -3.076
85 HB3 LEU 12 HB1 LEU 12 6.814 0.315 -4.004
86 HG LEU 12 HG LEU 12 7.227 2.810 -2.344
87 HD11 LEU 12 HD11 LEU 12 6.816 3.970 -4.443
88 HD12 LEU 12 HD12 LEU 12 6.562 2.429 -5.253
89 HD13 LEU 12 HD13 LEU 12 8.151 2.827 -4.610
90 HD21 LEU 12 HD21 LEU 12 4.944 3.520 -2.961
91 HD22 LEU 12 HD22 LEU 12 4.945 2.130 -1.888
92 HD23 LEU 12 HD23 LEU 12 4.635 1.909 -3.612
93 H ALA 13 HN ALA 13 8.824 -1.324 -1.953
94 HA ALA 13 HA ALA 13 7.875 -3.596 -3.245
95 HB1 ALA 13 HB1 ALA 13 10.238 -2.961 -3.286
96 HB2 ALA 13 HB2 ALA 13 10.042 -4.619 -2.715
97 HB3 ALA 13 HB3 ALA 13 10.371 -3.324 -1.565
98 H ASN 14 HN ASN 14 8.121 -2.704 0.092
99 HA ASN 14 HA ASN 14 7.493 -5.309 1.222
100 HB2 ASN 14 HB2 ASN 14 7.592 -2.558 2.452
101 HB3 ASN 14 HB1 ASN 14 7.117 -4.005 3.326
102 HD21 ASN 14 HD21 ASN 14 9.646 -4.047 0.972
103 HD22 ASN 14 HD22 ASN 14 10.957 -4.243 2.058
104 H PHE 15 HN PHE 15 5.664 -3.034 -0.409
105 HA PHE 15 HA PHE 15 3.439 -3.081 1.396
106 HB2 PHE 15 HB2 PHE 15 3.440 -0.954 0.586
107 HB3 PHE 15 HB1 PHE 15 4.502 -1.398 -0.733
108 HD1 PHE 15 HD1 PHE 15 3.643 -1.855 -2.894
109 HD2 PHE 15 HD2 PHE 15 0.994 -1.045 0.326
110 HE1 PHE 15 HE1 PHE 15 1.825 -1.567 -4.491
111 HE2 PHE 15 HE2 PHE 15 -0.857 -0.745 -1.272
112 HZ PHE 15 HZ PHE 15 -0.449 -1.002 -3.686
113 H LEU 16 HN LEU 16 4.759 -4.548 -1.371
114 HA LEU 16 HA LEU 16 2.271 -5.941 -1.728
115 HB2 LEU 16 HB2 LEU 16 2.253 -5.465 -3.814
116 HB3 LEU 16 HB1 LEU 16 3.170 -4.125 -3.334
117 HG LEU 16 HG LEU 16 4.534 -6.557 -4.511
118 HD11 LEU 16 HD11 LEU 16 3.020 -5.591 -6.162
119 HD12 LEU 16 HD12 LEU 16 4.703 -5.263 -6.579
120 HD13 LEU 16 HD13 LEU 16 3.708 -3.994 -5.868
121 HD21 LEU 16 HD21 LEU 16 5.940 -5.093 -3.138
122 HD22 LEU 16 HD22 LEU 16 5.433 -3.711 -4.114
123 HD23 LEU 16 HD23 LEU 16 6.381 -5.010 -4.846
124 H VAL 17 HN VAL 17 4.856 -6.440 -0.244
125 HA VAL 17 HA VAL 17 6.401 -8.274 -1.737
126 HB VAL 17 HB VAL 17 7.345 -6.913 0.059
127 HG11 VAL 17 HG11 VAL 17 7.197 -7.541 2.414
128 HG12 VAL 17 HG12 VAL 17 5.967 -8.740 2.004
129 HG13 VAL 17 HG13 VAL 17 5.642 -7.040 1.746
130 HG21 VAL 17 HG21 VAL 17 8.753 -8.727 1.111
131 HG22 VAL 17 HG22 VAL 17 8.726 -8.590 -0.642
132 HG23 VAL 17 HG23 VAL 17 7.797 -9.867 0.138
133 H HIS 18 HN HIS 18 4.415 -9.031 1.067
134 HA HIS 18 HA HIS 18 3.952 -11.651 -0.210
135 HB2 HIS 18 HB2 HIS 18 4.137 -11.037 2.757
136 HB3 HIS 18 HB1 HIS 18 3.526 -12.549 2.104
137 HD1 HIS 18 HD1 HIS 18 5.256 -14.321 2.278
138 HD2 HIS 18 HD2 HIS 18 6.781 -10.593 1.508
139 HE1 HIS 18 HE1 HIS 18 7.736 -14.684 2.172
140 HE2 HIS 18 HE2 HIS 18 8.589 -12.481 1.318
141 H SER 19 HN SER 19 2.770 -8.789 0.281
142 HA SER 19 HA SER 19 0.377 -9.094 1.575
143 HB2 SER 19 HB2 SER 19 0.996 -7.143 -0.618
144 HB3 SER 19 HB1 SER 19 -0.186 -6.981 0.686
145 HG SER 19 HG SER 19 1.741 -5.853 1.055
146 H SER 20 HN SER 20 1.448 -10.121 -1.452
147 HA SER 20 HA SER 20 -0.709 -9.815 -3.232
148 HB2 SER 20 HB2 SER 20 1.402 -11.961 -3.217
149 HB3 SER 20 HB1 SER 20 0.534 -11.328 -4.619
150 HG SER 20 HG SER 20 1.492 -9.210 -3.856
151 H ASN 21 HN ASN 21 -0.761 -11.485 -0.519
152 HA ASN 21 HA ASN 21 -2.279 -13.808 -1.471
153 HB2 ASN 21 HB2 ASN 21 -0.811 -13.184 1.024
154 HB3 ASN 21 HB1 ASN 21 -2.021 -14.500 1.029
155 HD21 ASN 21 HD21 ASN 21 1.096 -13.413 0.152
156 HD22 ASN 21 HD22 ASN 21 1.683 -14.879 -0.537
157 H ASN 22 HN ASN 22 -2.681 -10.777 -0.380
158 HA ASN 22 HA ASN 22 -5.468 -11.259 0.341
159 HB2 ASN 22 HB2 ASN 22 -3.359 -9.653 1.613
160 HB3 ASN 22 HB1 ASN 22 -4.905 -8.849 1.538
161 HD21 ASN 22 HD21 ASN 22 -4.656 -12.336 1.828
162 HD22 ASN 22 HD22 ASN 22 -5.194 -12.443 3.441
163 H PHE 23 HN PHE 23 -3.081 -9.100 -0.754
164 HA PHE 23 HA PHE 23 -4.461 -7.258 -2.225
165 HB2 PHE 23 HB2 PHE 23 -1.887 -8.408 -2.063
166 HB3 PHE 23 HB1 PHE 23 -1.972 -7.516 -3.522
167 HD1 PHE 23 HD1 PHE 23 -1.410 -5.189 -3.285
168 HD2 PHE 23 HD2 PHE 23 -2.798 -7.339 0.099
169 HE1 PHE 23 HE1 PHE 23 -0.997 -3.227 -1.862
170 HE2 PHE 23 HE2 PHE 23 -2.394 -5.442 1.523
171 HZ PHE 23 HZ PHE 23 -1.482 -3.336 0.552
172 H GLY 24 HN GLY 24 -5.934 -7.867 -3.341
173 HA2 GLY 24 HA2 GLY 24 -7.240 -8.715 -4.986
174 HA3 GLY 24 HA1 GLY 24 -5.892 -8.789 -6.039
175 H ALA 25 HN ALA 25 -6.507 -10.397 -2.994
176 HA ALA 25 HA ALA 25 -6.585 -12.969 -4.367
177 HB1 ALA 25 HB1 ALA 25 -6.022 -12.235 -1.486
178 HB2 ALA 25 HB2 ALA 25 -4.828 -12.717 -2.674
179 HB3 ALA 25 HB3 ALA 25 -6.044 -13.879 -2.125
180 H ILE 26 HN ILE 26 -7.729 -11.200 -1.668
181 HA ILE 26 HA ILE 26 -10.267 -12.412 -1.723
182 HB ILE 26 HB ILE 26 -9.533 -11.947 0.452
183 HG12 ILE 26 HG12 ILE 26 -11.135 -9.581 -0.284
184 HG13 ILE 26 HG11 ILE 26 -11.863 -11.153 0.054
185 HG21 ILE 26 HG21 ILE 26 -8.666 -9.251 -0.538
186 HG22 ILE 26 HG22 ILE 26 -7.624 -10.545 0.043
187 HG23 ILE 26 HG23 ILE 26 -8.672 -9.679 1.170
188 HD11 ILE 26 HD11 ILE 26 -10.392 -9.362 2.007
189 HD12 ILE 26 HD12 ILE 26 -10.978 -10.982 2.386
190 HD13 ILE 26 HD13 ILE 26 -12.123 -9.697 1.998
191 H LEU 27 HN LEU 27 -8.689 -9.427 -2.588
192 HA LEU 27 HA LEU 27 -10.900 -7.856 -3.257
193 HB2 LEU 27 HB2 LEU 27 -9.103 -6.561 -3.032
194 HB3 LEU 27 HB1 LEU 27 -7.997 -7.819 -3.472
195 HG LEU 27 HG LEU 27 -8.396 -7.263 -5.886
196 HD11 LEU 27 HD11 LEU 27 -10.586 -6.306 -5.701
197 HD12 LEU 27 HD12 LEU 27 -9.407 -5.258 -6.503
198 HD13 LEU 27 HD13 LEU 27 -9.903 -4.910 -4.828
199 HD21 LEU 27 HD21 LEU 27 -7.480 -4.985 -4.163
200 HD22 LEU 27 HD22 LEU 27 -7.133 -5.202 -5.876
201 HD23 LEU 27 HD23 LEU 27 -6.499 -6.352 -4.699
202 H SER 28 HN SER 28 -8.934 -10.041 -5.058
203 HA SER 28 HA SER 28 -10.512 -9.472 -7.439
204 HB2 SER 28 HB2 SER 28 -8.036 -9.618 -7.650
205 HB3 SER 28 HB1 SER 28 -8.127 -11.325 -7.245
206 HG SER 28 HG SER 28 -9.467 -11.584 -9.103
207 H SER 29 HN SER 29 -10.940 -11.431 -4.882
208 HA SER 29 HA SER 29 -12.092 -13.304 -4.390
209 HB2 SER 29 HB2 SER 29 -13.419 -12.605 -7.006
210 HB3 SER 29 HB1 SER 29 -14.102 -13.685 -5.790
211 HG SER 29 HG SER 29 -14.327 -12.026 -4.400
212 H THR 30 HN THR 30 -9.622 -13.857 -5.629
213 HA THR 30 HA THR 30 -10.136 -16.027 -7.507
214 HB THR 30 HB THR 30 -7.615 -15.792 -7.829
215 HG1 THR 30 HG1 THR 30 -6.704 -13.973 -7.029
216 HG21 THR 30 HG21 THR 30 -7.969 -13.843 -9.312
217 HG22 THR 30 HG22 THR 30 -9.500 -13.560 -8.440
218 HG23 THR 30 HG23 THR 30 -9.297 -15.023 -9.391
219 H ASN 31 HN ASN 31 -10.088 -15.807 -4.416
220 HA ASN 31 HA ASN 31 -8.144 -17.959 -3.963
221 HB2 ASN 31 HB2 ASN 31 -9.329 -15.973 -2.062
222 HB3 ASN 31 HB1 ASN 31 -8.651 -17.479 -1.456
223 HD21 ASN 31 HD21 ASN 31 -7.349 -15.926 -4.279
224 HD22 ASN 31 HD22 ASN 31 -5.876 -15.394 -3.564
225 H VAL 32 HN VAL 32 -11.219 -17.840 -4.731
226 HA VAL 32 HA VAL 32 -12.240 -19.819 -2.890
227 HB VAL 32 HB VAL 32 -13.386 -19.175 -5.608
228 HG11 VAL 32 HG11 VAL 32 -14.375 -21.077 -4.505
229 HG12 VAL 32 HG12 VAL 32 -15.527 -19.748 -4.637
230 HG13 VAL 32 HG13 VAL 32 -14.748 -20.080 -3.096
231 HG21 VAL 32 HG21 VAL 32 -13.846 -17.601 -3.074
232 HG22 VAL 32 HG22 VAL 32 -14.771 -17.428 -4.569
233 HG23 VAL 32 HG23 VAL 32 -13.057 -17.038 -4.551
234 H GLY 33 HN GLY 33 -10.666 -19.650 -5.970
235 HA2 GLY 33 HA2 GLY 33 -9.314 -21.881 -6.123
236 HA3 GLY 33 HA1 GLY 33 -10.928 -22.525 -6.403
237 H SER 34 HN SER 34 -11.741 -20.040 -7.741
238 HA SER 34 HA SER 34 -11.979 -19.193 -9.816
239 HB2 SER 34 HB2 SER 34 -9.040 -19.874 -10.082
240 HB3 SER 34 HB1 SER 34 -9.992 -18.806 -11.127
241 HG SER 34 HG SER 34 -10.454 -17.608 -9.139
242 H ASN 35 HN ASN 35 -12.580 -21.818 -9.357
243 HA ASN 35 HA ASN 35 -11.669 -23.451 -11.540
244 HB2 ASN 35 HB2 ASN 35 -12.127 -24.478 -9.334
245 HB3 ASN 35 HB1 ASN 35 -13.819 -24.036 -9.491
246 HD21 ASN 35 HD21 ASN 35 -11.315 -26.180 -10.656
247 HD22 ASN 35 HD22 ASN 35 -12.365 -27.285 -11.443
248 H THR 36 HN THR 36 -12.286 -22.404 -13.267
249 HA THR 36 HA THR 36 -15.066 -21.868 -13.857
250 HB THR 36 HB THR 36 -14.063 -21.168 -16.072
251 HG1 THR 36 HG1 THR 36 -11.686 -20.960 -15.900
252 HG21 THR 36 HG21 THR 36 -12.934 -19.169 -15.170
253 HG22 THR 36 HG22 THR 36 -12.806 -19.950 -13.596
254 HG23 THR 36 HG23 THR 36 -14.390 -19.527 -14.243
255 H TYC 37 HN ATY 37 -13.253 -24.444 -13.741
256 HA TYC 37 HA ATY 37 -13.666 -25.735 -16.266
257 HB1 TYC 37 HB1 ATY 37 -12.573 -27.674 -15.224
258 HB2 TYC 37 HB2 ATY 37 -12.662 -26.885 -13.655
259 HD1 TYC 37 HD1 ATY 37 -11.096 -25.185 -13.024
260 HD2 TYC 37 HD2 ATY 37 -11.027 -26.793 -16.961
261 HE1 TYC 37 HE1 ATY 37 -8.920 -24.114 -13.417
262 HE2 TYC 37 HE2 ATY 37 -8.845 -25.727 -17.360
263 HH TYC 37 HH ATY 37 -6.961 -24.449 -14.873
264 HT21 TYC 37 HT21 ATY 37 -15.746 -26.036 -16.660
265 HT22 TYC 37 HT22 ATY 37 -16.817 -27.001 -15.709
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 9.981 5.757 10.398
2 H2 LYS 1 HT2 LYS 1 10.562 7.243 9.799
3 H3 LYS 1 HT3 LYS 1 11.582 5.922 9.869
4 HA LYS 1 HA LYS 1 10.355 4.772 8.223
5 HB2 LYS 1 HB2 LYS 1 8.488 5.851 7.079
6 HB3 LYS 1 HB1 LYS 1 8.141 5.784 8.794
7 HG2 LYS 1 HG2 LYS 1 8.687 8.142 9.023
8 HG3 LYS 1 HG1 LYS 1 9.146 8.211 7.319
9 HD2 LYS 1 HD2 LYS 1 6.856 7.533 6.709
10 HD3 LYS 1 HD1 LYS 1 6.415 7.570 8.412
11 HE2 LYS 1 HE2 LYS 1 6.895 9.953 8.504
12 HE3 LYS 1 HE1 LYS 1 7.428 9.925 6.822
13 HZ1 LYS 1 HZ1 LYS 1 4.679 9.328 7.776
14 HZ2 LYS 1 HZ2 LYS 1 5.191 9.212 6.196
15 HZ3 LYS 1 HZ3 LYS 1 5.160 10.721 6.943
16 H CYS 2 HN CYS 2 10.329 5.707 5.767
17 HA CYS 2 HA CYS 2 12.261 7.858 5.587
18 HB2 CYS 2 HB2 CYS 2 13.393 6.538 3.753
19 HB3 CYS 2 HB1 CYS 2 13.676 5.956 5.400
20 H ASN 3 HN ASN 3 12.441 8.603 3.247
21 HA ASN 3 HA ASN 3 10.010 8.182 1.719
22 HB2 ASN 3 HB2 ASN 3 9.434 10.593 1.664
23 HB3 ASN 3 HB1 ASN 3 9.258 9.882 3.268
24 HD21 ASN 3 HD21 ASN 3 10.981 12.173 1.321
25 HD22 ASN 3 HD22 ASN 3 11.868 12.899 2.616
26 H THR 4 HN THR 4 13.000 7.988 1.457
27 HA THR 4 HA THR 4 13.357 9.823 -0.783
28 HB THR 4 HB THR 4 15.211 9.814 0.858
29 HG1 THR 4 HG1 THR 4 15.956 10.255 -1.099
30 HG21 THR 4 HG21 THR 4 16.616 7.831 1.176
31 HG22 THR 4 HG22 THR 4 15.533 6.909 0.128
32 HG23 THR 4 HG23 THR 4 14.949 7.524 1.671
33 H ALA 5 HN ALA 5 14.339 8.895 -2.721
34 HA ALA 5 HA ALA 5 12.761 6.797 -3.745
35 HB1 ALA 5 HB1 ALA 5 15.252 8.025 -4.918
36 HB2 ALA 5 HB2 ALA 5 13.609 8.630 -5.134
37 HB3 ALA 5 HB3 ALA 5 14.065 7.058 -5.792
38 H THR 6 HN THR 6 15.756 6.826 -2.124
39 HA THR 6 HA THR 6 16.716 4.301 -3.068
40 HB THR 6 HB THR 6 17.419 5.885 -0.596
41 HG1 THR 6 HG1 THR 6 18.198 6.099 -3.294
42 HG21 THR 6 HG21 THR 6 18.993 3.823 -2.160
43 HG22 THR 6 HG22 THR 6 18.253 3.615 -0.569
44 HG23 THR 6 HG23 THR 6 19.593 4.749 -0.769
45 H CYS 7 HN CYS 7 14.220 5.203 -0.923
46 HA CYS 7 HA CYS 7 14.600 2.761 0.699
47 HB2 CYS 7 HB2 CYS 7 15.317 4.976 1.596
48 HB3 CYS 7 HB1 CYS 7 13.662 5.348 1.712
49 H ALA 8 HN ALA 8 12.314 5.378 -0.189
50 HA ALA 8 HA ALA 8 10.103 4.155 0.963
51 HB1 ALA 8 HB1 ALA 8 10.158 6.511 0.424
52 HB2 ALA 8 HB2 ALA 8 8.786 5.742 -0.378
53 HB3 ALA 8 HB3 ALA 8 10.241 6.146 -1.300
54 H THR 9 HN THR 9 11.792 3.722 -1.923
55 HA THR 9 HA THR 9 9.798 2.439 -3.529
56 HB THR 9 HB THR 9 11.811 1.490 -4.683
57 HG1 THR 9 HG1 THR 9 13.629 3.189 -3.858
58 HG21 THR 9 HG21 THR 9 12.388 3.676 -5.691
59 HG22 THR 9 HG22 THR 9 11.599 4.486 -4.338
60 HG23 THR 9 HG23 THR 9 10.652 3.490 -5.448
61 H GLN 10 HN GLN 10 12.022 1.461 -1.182
62 HA GLN 10 HA GLN 10 11.880 -1.392 -1.505
63 HB2 GLN 10 HB2 GLN 10 12.689 0.128 0.970
64 HB3 GLN 10 HB1 GLN 10 13.182 -1.504 0.516
65 HG2 GLN 10 HG2 GLN 10 13.963 1.070 -0.828
66 HG3 GLN 10 HG1 GLN 10 14.969 0.106 0.241
67 HE21 GLN 10 HE21 GLN 10 15.257 0.980 -2.502
68 HE22 GLN 10 HE22 GLN 10 15.599 -0.419 -3.440
69 H ARG 11 HN ARG 11 10.453 1.067 0.468
70 HA ARG 11 HA ARG 11 8.877 -0.612 2.191
71 HB2 ARG 11 HB2 ARG 11 8.116 2.181 1.332
72 HB3 ARG 11 HB1 ARG 11 7.757 1.392 2.857
73 HG2 ARG 11 HG2 ARG 11 10.489 2.273 1.954
74 HG3 ARG 11 HG1 ARG 11 9.452 3.174 3.048
75 HD2 ARG 11 HD2 ARG 11 10.504 0.396 3.553
76 HD3 ARG 11 HD1 ARG 11 11.246 1.883 4.145
77 HE ARG 11 HE ARG 11 8.476 1.550 4.855
78 HH11 ARG 11 HH11 ARG 11 11.817 0.924 5.836
79 HH12 ARG 11 HH12 ARG 11 11.451 0.831 7.497
80 HH21 ARG 11 HH21 ARG 11 7.996 1.430 7.133
81 HH22 ARG 11 HH22 ARG 11 9.240 1.086 8.242
82 H LEU 12 HN LEU 12 8.372 0.966 -0.885
83 HA LEU 12 HA LEU 12 5.767 0.185 -1.423
84 HB2 LEU 12 HB2 LEU 12 8.181 0.746 -2.974
85 HB3 LEU 12 HB1 LEU 12 6.809 0.376 -3.881
86 HG LEU 12 HG LEU 12 7.319 2.778 -2.140
87 HD11 LEU 12 HD11 LEU 12 6.673 4.009 -4.148
88 HD12 LEU 12 HD12 LEU 12 6.386 2.486 -4.983
89 HD13 LEU 12 HD13 LEU 12 8.014 2.909 -4.456
90 HD21 LEU 12 HD21 LEU 12 4.616 1.907 -3.166
91 HD22 LEU 12 HD22 LEU 12 4.987 3.488 -2.480
92 HD23 LEU 12 HD23 LEU 12 5.097 2.055 -1.472
93 H ALA 13 HN ALA 13 8.859 -1.419 -1.984
94 HA ALA 13 HA ALA 13 7.759 -3.584 -3.320
95 HB1 ALA 13 HB1 ALA 13 10.145 -3.068 -3.440
96 HB2 ALA 13 HB2 ALA 13 9.907 -4.734 -2.912
97 HB3 ALA 13 HB3 ALA 13 10.334 -3.488 -1.737
98 H ASN 14 HN ASN 14 8.152 -2.790 -0.012
99 HA ASN 14 HA ASN 14 7.450 -5.372 1.093
100 HB2 ASN 14 HB2 ASN 14 7.785 -2.658 2.374
101 HB3 ASN 14 HB1 ASN 14 7.302 -4.101 3.255
102 HD21 ASN 14 HD21 ASN 14 9.590 -4.304 0.688
103 HD22 ASN 14 HD22 ASN 14 10.987 -4.586 1.659
104 H PHE 15 HN PHE 15 5.656 -2.968 -0.399
105 HA PHE 15 HA PHE 15 3.413 -3.098 1.420
106 HB2 PHE 15 HB2 PHE 15 3.226 -0.962 0.705
107 HB3 PHE 15 HB1 PHE 15 4.498 -1.247 -0.475
108 HD1 PHE 15 HD1 PHE 15 3.913 -1.817 -2.797
109 HD2 PHE 15 HD2 PHE 15 0.889 -0.944 0.064
110 HE1 PHE 15 HE1 PHE 15 2.308 -1.520 -4.610
111 HE2 PHE 15 HE2 PHE 15 -0.740 -0.650 -1.757
112 HZ PHE 15 HZ PHE 15 -0.027 -0.936 -4.103
113 H LEU 16 HN LEU 16 4.717 -4.613 -1.267
114 HA LEU 16 HA LEU 16 2.183 -5.868 -1.772
115 HB2 LEU 16 HB2 LEU 16 2.214 -5.190 -3.812
116 HB3 LEU 16 HB1 LEU 16 3.361 -4.056 -3.304
117 HG LEU 16 HG LEU 16 4.265 -6.641 -4.594
118 HD11 LEU 16 HD11 LEU 16 2.933 -5.368 -6.181
119 HD12 LEU 16 HD12 LEU 16 4.643 -5.286 -6.607
120 HD13 LEU 16 HD13 LEU 16 3.861 -3.916 -5.814
121 HD21 LEU 16 HD21 LEU 16 6.362 -5.421 -4.900
122 HD22 LEU 16 HD22 LEU 16 5.927 -5.502 -3.191
123 HD23 LEU 16 HD23 LEU 16 5.660 -4.014 -4.100
124 H VAL 17 HN VAL 17 4.647 -6.472 -0.201
125 HA VAL 17 HA VAL 17 6.054 -8.451 -1.671
126 HB VAL 17 HB VAL 17 7.197 -7.071 -0.015
127 HG11 VAL 17 HG11 VAL 17 5.542 -6.935 1.735
128 HG12 VAL 17 HG12 VAL 17 7.097 -7.462 2.371
129 HG13 VAL 17 HG13 VAL 17 5.797 -8.624 2.147
130 HG21 VAL 17 HG21 VAL 17 8.541 -8.870 1.056
131 HG22 VAL 17 HG22 VAL 17 8.322 -8.998 -0.690
132 HG23 VAL 17 HG23 VAL 17 7.385 -10.035 0.383
133 H HIS 18 HN HIS 18 4.205 -8.913 1.293
134 HA HIS 18 HA HIS 18 3.429 -11.572 0.210
135 HB2 HIS 18 HB2 HIS 18 3.661 -10.827 3.156
136 HB3 HIS 18 HB1 HIS 18 3.035 -12.337 2.534
137 HD1 HIS 18 HD1 HIS 18 4.665 -14.126 2.882
138 HD2 HIS 18 HD2 HIS 18 6.388 -10.525 1.917
139 HE1 HIS 18 HE1 HIS 18 7.153 -14.592 2.898
140 HE2 HIS 18 HE2 HIS 18 8.151 -12.462 1.996
141 H SER 19 HN SER 19 2.552 -8.536 0.739
142 HA SER 19 HA SER 19 0.136 -8.409 1.989
143 HB2 SER 19 HB2 SER 19 0.974 -6.899 -0.420
144 HB3 SER 19 HB1 SER 19 0.087 -6.332 1.000
145 HG SER 19 HG SER 19 1.923 -5.801 1.776
146 H SER 20 HN SER 20 1.054 -9.668 -0.943
147 HA SER 20 HA SER 20 -1.072 -9.307 -2.702
148 HB2 SER 20 HB2 SER 20 0.603 -11.787 -2.562
149 HB3 SER 20 HB1 SER 20 -0.053 -10.982 -3.988
150 HG SER 20 HG SER 20 2.287 -10.668 -3.146
151 H ASN 21 HN ASN 21 -0.865 -11.274 0.043
152 HA ASN 21 HA ASN 21 -3.028 -13.051 -0.798
153 HB2 ASN 21 HB2 ASN 21 -0.944 -13.107 1.288
154 HB3 ASN 21 HB1 ASN 21 -2.278 -14.296 1.333
155 HD21 ASN 21 HD21 ASN 21 0.770 -13.405 0.096
156 HD22 ASN 21 HD22 ASN 21 0.987 -14.697 -1.013
157 H ASN 22 HN ASN 22 -2.780 -10.070 0.768
158 HA ASN 22 HA ASN 22 -4.956 -10.712 2.569
159 HB2 ASN 22 HB2 ASN 22 -2.293 -10.045 3.226
160 HB3 ASN 22 HB1 ASN 22 -3.449 -8.794 3.722
161 HD21 ASN 22 HD21 ASN 22 -4.174 -12.137 3.272
162 HD22 ASN 22 HD22 ASN 22 -4.526 -12.522 4.863
163 H PHE 23 HN PHE 23 -3.082 -8.343 1.000
164 HA PHE 23 HA PHE 23 -4.267 -6.077 1.879
165 HB2 PHE 23 HB2 PHE 23 -2.924 -4.971 0.245
166 HB3 PHE 23 HB1 PHE 23 -2.182 -6.474 0.736
167 HD1 PHE 23 HD1 PHE 23 -1.760 -4.716 -1.792
168 HD2 PHE 23 HD2 PHE 23 -3.745 -8.304 -0.916
169 HE1 PHE 23 HE1 PHE 23 -1.375 -5.440 -4.090
170 HE2 PHE 23 HE2 PHE 23 -3.402 -9.098 -3.216
171 HZ PHE 23 HZ PHE 23 -2.209 -7.641 -4.847
172 H GLY 24 HN GLY 24 -6.268 -6.096 2.004
173 HA2 GLY 24 HA2 GLY 24 -8.504 -6.052 1.596
174 HA3 GLY 24 HA1 GLY 24 -8.254 -5.259 0.083
175 H ALA 25 HN ALA 25 -7.117 -8.409 1.099
176 HA ALA 25 HA ALA 25 -8.556 -9.642 -1.106
177 HB1 ALA 25 HB1 ALA 25 -7.045 -11.547 -0.653
178 HB2 ALA 25 HB2 ALA 25 -6.415 -10.674 0.745
179 HB3 ALA 25 HB3 ALA 25 -6.137 -10.039 -0.879
180 H ILE 26 HN ILE 26 -7.841 -9.719 2.229
181 HA ILE 26 HA ILE 26 -9.893 -11.525 2.777
182 HB ILE 26 HB ILE 26 -7.973 -11.944 4.043
183 HG12 ILE 26 HG12 ILE 26 -9.667 -10.266 5.776
184 HG13 ILE 26 HG11 ILE 26 -10.087 -11.933 5.393
185 HG21 ILE 26 HG21 ILE 26 -7.884 -8.999 4.625
186 HG22 ILE 26 HG22 ILE 26 -6.720 -9.934 3.679
187 HG23 ILE 26 HG23 ILE 26 -6.829 -10.167 5.427
188 HD11 ILE 26 HD11 ILE 26 -9.111 -11.835 7.633
189 HD12 ILE 26 HD12 ILE 26 -7.707 -10.966 7.008
190 HD13 ILE 26 HD13 ILE 26 -7.980 -12.647 6.553
191 H LEU 27 HN LEU 27 -9.020 -8.182 3.280
192 HA LEU 27 HA LEU 27 -11.179 -7.321 4.801
193 HB2 LEU 27 HB2 LEU 27 -9.703 -5.644 4.827
194 HB3 LEU 27 HB1 LEU 27 -8.951 -6.279 3.395
195 HG LEU 27 HG LEU 27 -10.506 -4.925 2.002
196 HD11 LEU 27 HD11 LEU 27 -11.327 -3.678 4.607
197 HD12 LEU 27 HD12 LEU 27 -12.336 -4.681 3.532
198 HD13 LEU 27 HD13 LEU 27 -11.702 -3.128 2.962
199 HD21 LEU 27 HD21 LEU 27 -9.442 -2.793 2.466
200 HD22 LEU 27 HD22 LEU 27 -8.290 -4.130 2.513
201 HD23 LEU 27 HD23 LEU 27 -8.881 -3.417 4.013
202 H SER 28 HN SER 28 -10.694 -7.360 1.340
203 HA SER 28 HA SER 28 -13.371 -6.389 1.000
204 HB2 SER 28 HB2 SER 28 -11.712 -5.624 -0.623
205 HB3 SER 28 HB1 SER 28 -11.401 -7.280 -1.129
206 HG SER 28 HG SER 28 -13.901 -5.972 -1.364
207 H SER 29 HN SER 29 -12.032 -9.343 1.597
208 HA SER 29 HA SER 29 -12.646 -11.482 1.598
209 HB2 SER 29 HB2 SER 29 -15.360 -10.354 1.109
210 HB3 SER 29 HB1 SER 29 -15.045 -11.974 1.731
211 HG SER 29 HG SER 29 -15.344 -9.801 3.114
212 H THR 30 HN THR 30 -12.220 -9.997 -0.985
213 HA THR 30 HA THR 30 -13.635 -11.257 -3.053
214 HB THR 30 HB THR 30 -12.441 -9.146 -3.422
215 HG1 THR 30 HG1 THR 30 -10.971 -9.949 -5.206
216 HG21 THR 30 HG21 THR 30 -10.569 -9.422 -1.912
217 HG22 THR 30 HG22 THR 30 -9.949 -9.074 -3.529
218 HG23 THR 30 HG23 THR 30 -9.920 -10.724 -2.896
219 H ASN 31 HN ASN 31 -10.849 -12.078 -1.182
220 HA ASN 31 HA ASN 31 -10.351 -14.394 -2.883
221 HB2 ASN 31 HB2 ASN 31 -8.408 -12.943 -2.441
222 HB3 ASN 31 HB1 ASN 31 -8.623 -13.165 -0.715
223 HD21 ASN 31 HD21 ASN 31 -7.943 -14.992 0.185
224 HD22 ASN 31 HD22 ASN 31 -6.966 -16.201 -0.577
225 H VAL 32 HN VAL 32 -11.741 -13.493 -0.034
226 HA VAL 32 HA VAL 32 -11.636 -15.988 1.361
227 HB VAL 32 HB VAL 32 -13.684 -13.739 1.566
228 HG11 VAL 32 HG11 VAL 32 -14.242 -14.660 3.767
229 HG12 VAL 32 HG12 VAL 32 -13.131 -15.999 3.490
230 HG13 VAL 32 HG13 VAL 32 -14.570 -15.824 2.482
231 HG21 VAL 32 HG21 VAL 32 -11.406 -13.026 2.083
232 HG22 VAL 32 HG22 VAL 32 -11.280 -14.305 3.293
233 HG23 VAL 32 HG23 VAL 32 -12.442 -12.995 3.508
234 H GLY 33 HN GLY 33 -13.557 -14.561 -1.117
235 HA2 GLY 33 HA2 GLY 33 -14.516 -16.016 -2.784
236 HA3 GLY 33 HA1 GLY 33 -14.922 -17.141 -1.492
237 H SER 34 HN SER 34 -15.495 -14.033 -0.456
238 HA SER 34 HA SER 34 -18.320 -14.529 -0.470
239 HB2 SER 34 HB2 SER 34 -16.859 -12.026 0.375
240 HB3 SER 34 HB1 SER 34 -18.470 -12.539 0.879
241 HG SER 34 HG SER 34 -17.332 -14.488 1.708
242 H ASN 35 HN ASN 35 -16.214 -13.158 -2.635
243 HA ASN 35 HA ASN 35 -17.830 -11.048 -3.707
244 HB2 ASN 35 HB2 ASN 35 -15.404 -10.967 -3.872
245 HB3 ASN 35 HB1 ASN 35 -15.391 -12.433 -4.846
246 HD21 ASN 35 HD21 ASN 35 -14.420 -11.505 -6.570
247 HD22 ASN 35 HD22 ASN 35 -15.151 -10.337 -7.597
248 H THR 36 HN THR 36 -17.550 -14.454 -4.279
249 HA THR 36 HA THR 36 -18.837 -14.242 -6.833
250 HB THR 36 HB THR 36 -18.580 -16.825 -6.718
251 HG1 THR 36 HG1 THR 36 -16.433 -16.722 -5.161
252 HG21 THR 36 HG21 THR 36 -16.166 -15.010 -6.752
253 HG22 THR 36 HG22 THR 36 -17.218 -15.337 -8.124
254 HG23 THR 36 HG23 THR 36 -16.240 -16.634 -7.431
255 H TYC 37 HN ATY 37 -19.961 -13.992 -3.939
256 HA TYC 37 HA ATY 37 -22.418 -15.496 -4.432
257 HB1 TYC 37 HB1 ATY 37 -23.026 -14.740 -2.081
258 HB2 TYC 37 HB2 ATY 37 -21.399 -14.094 -1.946
259 HD1 TYC 37 HD1 ATY 37 -19.463 -15.602 -1.827
260 HD2 TYC 37 HD2 ATY 37 -23.429 -17.099 -1.914
261 HE1 TYC 37 HE1 ATY 37 -18.653 -17.772 -1.005
262 HE2 TYC 37 HE2 ATY 37 -22.638 -19.282 -1.097
263 HH TYC 37 HH ATY 37 -19.558 -19.662 0.209
264 HT21 TYC 37 HT21 ATY 37 -23.196 -14.189 -6.039
265 HT22 TYC 37 HT22 ATY 37 -23.763 -12.577 -5.785