Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588789 | 2rv4 RC | 11484 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -24.263 -12.119 -3.669
2 H2 GLY 1 2H GLY 1 -22.834 -12.049 -4.468
3 H3 GLY 1 3H GLY 1 -24.132 -12.753 -5.173
4 HA2 GLY 1 1HA GLY 1 -25.305 -10.656 -5.271
5 HA3 GLY 1 2HA GLY 1 -23.910 -9.892 -4.487
6 H SER 2 H SER 2 -25.121 -9.311 -7.125
7 HA SER 2 HA SER 2 -23.357 -10.333 -9.198
8 HB2 SER 2 1HB SER 2 -24.627 -8.756 -10.634
9 HB3 SER 2 2HB SER 2 -25.661 -9.845 -9.694
10 HG SER 2 HG SER 2 -26.396 -7.660 -9.626
11 H SER 3 H SER 3 -23.165 -7.601 -7.056
12 HA SER 3 HA SER 3 -20.584 -6.794 -8.221
13 HB2 SER 3 1HB SER 3 -22.350 -5.425 -9.393
14 HB3 SER 3 2HB SER 3 -22.799 -4.745 -7.817
15 HG SER 3 HG SER 3 -21.266 -3.450 -8.982
16 H GLY 4 H GLY 4 -19.353 -5.407 -6.787
17 HA2 GLY 4 1HA GLY 4 -20.071 -4.514 -4.231
18 HA3 GLY 4 2HA GLY 4 -19.474 -6.161 -4.010
19 H SER 5 H SER 5 -18.178 -4.165 -2.762
20 HA SER 5 HA SER 5 -15.973 -3.051 -4.275
21 HB2 SER 5 1HB SER 5 -16.447 -3.045 -1.278
22 HB3 SER 5 2HB SER 5 -15.325 -2.008 -2.184
23 HG SER 5 HG SER 5 -17.324 -0.956 -1.740
24 H SER 6 H SER 6 -15.815 -5.815 -4.548
25 HA SER 6 HA SER 6 -13.952 -7.022 -2.686
26 HB2 SER 6 1HB SER 6 -14.790 -7.910 -5.471
27 HB3 SER 6 2HB SER 6 -13.939 -8.896 -4.265
28 HG SER 6 HG SER 6 -16.207 -9.273 -4.242
29 H GLY 7 H GLY 7 -11.790 -7.567 -2.957
30 HA2 GLY 7 1HA GLY 7 -9.666 -7.633 -3.810
31 HA3 GLY 7 2HA GLY 7 -10.324 -7.202 -5.386
32 H ILE 8 H ILE 8 -11.010 -4.815 -2.993
33 HA ILE 8 HA ILE 8 -9.326 -2.885 -4.338
34 HB ILE 8 HB ILE 8 -10.257 -1.252 -2.782
35 HG12 ILE 8 1HG1 ILE 8 -11.703 -3.581 -1.436
36 HG13 ILE 8 2HG1 ILE 8 -10.351 -2.687 -0.744
37 HG21 ILE 8 1HG2 ILE 8 -12.396 -3.109 -3.902
38 HG22 ILE 8 2HG2 ILE 8 -12.538 -1.365 -3.600
39 HG23 ILE 8 3HG2 ILE 8 -11.443 -1.953 -4.852
40 HD11 ILE 8 3HD1 ILE 8 -12.391 -1.857 0.217
41 HD12 ILE 8 1HD1 ILE 8 -11.702 -0.592 -0.818
42 HD13 ILE 8 2HD1 ILE 8 -13.098 -1.550 -1.375
43 H LYS 9 H LYS 9 -8.614 -4.945 -1.710
44 HA LYS 9 HA LYS 9 -6.857 -3.163 -0.242
45 HB2 LYS 9 1HB LYS 9 -7.000 -6.200 -0.079
46 HB3 LYS 9 2HB LYS 9 -6.276 -5.087 1.086
47 HG2 LYS 9 1HG LYS 9 -8.704 -4.005 1.128
48 HG3 LYS 9 2HG LYS 9 -9.206 -5.566 0.472
49 HD2 LYS 9 1HD LYS 9 -8.212 -6.716 2.442
50 HD3 LYS 9 2HD LYS 9 -7.628 -5.156 3.053
51 HE2 LYS 9 1HE LYS 9 -10.136 -4.408 2.872
52 HE3 LYS 9 2HE LYS 9 -10.492 -6.139 2.794
53 HZ1 LYS 9 3HZ LYS 9 -9.264 -6.342 4.945
54 HZ2 LYS 9 1HZ LYS 9 -10.563 -5.355 5.079
55 HZ3 LYS 9 2HZ LYS 9 -9.067 -4.706 4.975
56 H GLN 10 H GLN 10 -4.616 -3.307 0.042
57 HA GLN 10 HA GLN 10 -3.112 -4.083 -2.432
58 HB2 GLN 10 1HB GLN 10 -2.855 -1.473 -0.894
59 HB3 GLN 10 2HB GLN 10 -2.008 -1.927 -2.373
60 HG2 GLN 10 1HG GLN 10 -4.992 -1.380 -2.102
61 HG3 GLN 10 2HG GLN 10 -3.796 -0.330 -2.833
62 HE21 GLN 10 1HE2 GLN 10 -6.284 -1.892 -3.889
63 HE22 GLN 10 2HE2 GLN 10 -5.643 -2.586 -5.379
64 H HIS 11 H HIS 11 -0.747 -4.107 -2.172
65 HA HIS 11 HA HIS 11 0.176 -4.680 0.594
66 HB2 HIS 11 1HB HIS 11 1.357 -6.624 -0.089
67 HB3 HIS 11 2HB HIS 11 -0.318 -6.811 -0.587
68 HD1 HIS 11 1HD HIS 11 -0.752 -6.777 -3.301
69 HD2 HIS 11 2HD HIS 11 3.240 -6.488 -2.004
70 HE1 HIS 11 1HE HIS 11 0.696 -7.133 -5.365
71 H CYS 12 H CYS 12 2.297 -4.278 1.076
72 HA CYS 12 HA CYS 12 3.713 -2.259 -0.482
73 HB2 CYS 12 1HB CYS 12 3.638 -2.242 1.969
74 HB3 CYS 12 2HB CYS 12 4.439 -3.830 2.015
75 H ARG 13 H ARG 13 5.169 -2.582 -1.993
76 HA ARG 13 HA ARG 13 5.958 -5.301 -2.745
77 HB2 ARG 13 1HB ARG 13 5.323 -3.182 -4.254
78 HB3 ARG 13 2HB ARG 13 7.038 -2.824 -4.093
79 HG2 ARG 13 1HG ARG 13 6.690 -4.032 -6.136
80 HG3 ARG 13 2HG ARG 13 7.524 -5.134 -5.037
81 HD2 ARG 13 1HD ARG 13 5.364 -6.255 -4.522
82 HD3 ARG 13 2HD ARG 13 4.514 -5.100 -5.565
83 HE ARG 13 HE ARG 13 6.513 -6.280 -7.149
84 HH11 ARG 13 2HH1 ARG 13 3.623 -7.430 -5.494
85 HH12 ARG 13 1HH1 ARG 13 3.428 -8.756 -6.610
86 HH21 ARG 13 2HH2 ARG 13 6.168 -7.981 -8.530
87 HH22 ARG 13 1HH2 ARG 13 4.814 -9.044 -8.284
88 H PHE 14 H PHE 14 7.230 -3.128 -0.562
89 HA PHE 14 HA PHE 14 10.054 -4.006 -0.947
90 HB2 PHE 14 1HB PHE 14 8.937 -1.852 0.863
91 HB3 PHE 14 2HB PHE 14 10.627 -2.171 0.526
92 HD1 PHE 14 2HD PHE 14 11.590 -1.645 -1.730
93 HD2 PHE 14 1HD PHE 14 7.536 -0.600 -0.692
94 HE1 PHE 14 2HE PHE 14 11.490 -0.091 -3.666
95 HE2 PHE 14 1HE PHE 14 7.442 0.955 -2.625
96 HZ PHE 14 HZ PHE 14 9.415 1.200 -4.123
97 H CYS 15 H CYS 15 7.571 -3.849 1.659
98 HA CYS 15 HA CYS 15 9.142 -5.884 3.176
99 HB2 CYS 15 1HB CYS 15 8.607 -4.826 5.218
100 HB3 CYS 15 2HB CYS 15 9.362 -3.662 4.136
101 H LYS 16 H LYS 16 6.436 -5.766 1.431
102 HA LYS 16 HA LYS 16 4.676 -7.133 1.145
103 HB2 LYS 16 1HB LYS 16 6.384 -9.020 2.788
104 HB3 LYS 16 2HB LYS 16 4.909 -9.484 1.969
105 HG2 LYS 16 1HG LYS 16 6.620 -10.136 0.537
106 HG3 LYS 16 2HG LYS 16 5.833 -8.759 -0.212
107 HD2 LYS 16 1HD LYS 16 8.246 -8.747 -0.561
108 HD3 LYS 16 2HD LYS 16 7.759 -7.320 0.341
109 HE2 LYS 16 1HE LYS 16 8.508 -8.399 2.459
110 HE3 LYS 16 2HE LYS 16 8.907 -9.873 1.570
111 HZ1 LYS 16 3HZ LYS 16 10.582 -8.601 0.336
112 HZ2 LYS 16 1HZ LYS 16 10.881 -8.516 1.935
113 HZ3 LYS 16 2HZ LYS 16 10.230 -7.231 1.163
114 H LYS 17 H LYS 17 4.647 -5.395 3.677
115 HA LYS 17 HA LYS 17 2.472 -6.536 5.256
116 HB2 LYS 17 1HB LYS 17 3.364 -3.642 4.913
117 HB3 LYS 17 2HB LYS 17 2.223 -4.255 6.122
118 HG2 LYS 17 1HG LYS 17 4.013 -5.673 7.105
119 HG3 LYS 17 2HG LYS 17 5.160 -5.063 5.900
120 HD2 LYS 17 1HD LYS 17 4.640 -2.713 6.761
121 HD3 LYS 17 2HD LYS 17 3.804 -3.474 8.119
122 HE2 LYS 17 1HE LYS 17 6.725 -3.906 7.317
123 HE3 LYS 17 2HE LYS 17 6.180 -2.821 8.599
124 HZ1 LYS 17 3HZ LYS 17 6.872 -4.939 9.522
125 HZ2 LYS 17 1HZ LYS 17 5.817 -5.769 8.599
126 HZ3 LYS 17 2HZ LYS 17 5.270 -4.763 9.770
127 H LYS 18 H LYS 18 0.347 -5.314 5.379
128 HA LYS 18 HA LYS 18 -0.786 -4.842 2.641
129 HB2 LYS 18 1HB LYS 18 -1.727 -6.698 4.843
130 HB3 LYS 18 2HB LYS 18 -2.762 -6.203 3.486
131 HG2 LYS 18 1HG LYS 18 -1.120 -7.146 1.878
132 HG3 LYS 18 2HG LYS 18 -0.107 -7.689 3.231
133 HD2 LYS 18 1HD LYS 18 -1.972 -9.107 4.057
134 HD3 LYS 18 2HD LYS 18 -2.969 -8.587 2.680
135 HE2 LYS 18 1HE LYS 18 -1.288 -9.523 1.110
136 HE3 LYS 18 2HE LYS 18 -0.279 -10.020 2.474
137 HZ1 LYS 18 3HZ LYS 18 -2.086 -11.496 3.188
138 HZ2 LYS 18 1HZ LYS 18 -1.639 -11.862 1.664
139 HZ3 LYS 18 2HZ LYS 18 -3.021 -11.037 1.928
140 H TYR 19 H TYR 19 -2.526 -3.573 2.427
141 HA TYR 19 HA TYR 19 -3.680 -2.141 4.763
142 HB2 TYR 19 1HB TYR 19 -2.425 -0.834 2.319
143 HB3 TYR 19 2HB TYR 19 -3.538 -0.005 3.395
144 HD1 TYR 19 1HD TYR 19 -2.949 0.514 5.733
145 HD2 TYR 19 2HD TYR 19 -0.104 -1.290 3.037
146 HE1 TYR 19 1HE TYR 19 -1.112 1.034 7.327
147 HE2 TYR 19 2HE TYR 19 1.737 -0.774 4.644
148 HH TYR 19 HH TYR 19 1.110 0.836 7.790
149 H SER 20 H SER 20 -5.807 -1.381 4.431
150 HA SER 20 HA SER 20 -7.292 -2.948 2.487
151 HB2 SER 20 1HB SER 20 -8.254 -0.933 4.540
152 HB3 SER 20 2HB SER 20 -9.298 -1.959 3.540
153 HG SER 20 HG SER 20 -7.438 -2.760 5.535
154 H ASP 21 H ASP 21 -5.760 -0.045 2.075
155 HA ASP 21 HA ASP 21 -7.207 0.571 -0.393
156 HB2 ASP 21 1HB ASP 21 -7.629 2.889 0.164
157 HB3 ASP 21 2HB ASP 21 -8.446 1.870 1.340
158 H VAL 22 H VAL 22 -6.046 2.230 -1.683
159 HA VAL 22 HA VAL 22 -3.200 1.693 -1.639
160 HB VAL 22 HB VAL 22 -4.687 1.923 -3.661
161 HG11 VAL 22 1HG1 VAL 22 -5.015 4.064 -4.706
162 HG12 VAL 22 2HG1 VAL 22 -5.774 4.090 -3.109
163 HG13 VAL 22 3HG1 VAL 22 -4.216 4.910 -3.371
164 HG21 VAL 22 3HG2 VAL 22 -2.105 3.513 -3.698
165 HG22 VAL 22 1HG2 VAL 22 -2.243 1.747 -3.813
166 HG23 VAL 22 2HG2 VAL 22 -2.916 2.773 -5.091
167 H LYS 23 H LYS 23 -5.103 4.387 -0.404
168 HA LYS 23 HA LYS 23 -2.967 6.320 -0.703
169 HB2 LYS 23 1HB LYS 23 -5.539 6.440 0.936
170 HB3 LYS 23 2HB LYS 23 -4.428 7.792 0.688
171 HG2 LYS 23 1HG LYS 23 -4.807 7.664 -1.770
172 HG3 LYS 23 2HG LYS 23 -5.897 6.300 -1.534
173 HD2 LYS 23 1HD LYS 23 -7.236 8.274 -1.851
174 HD3 LYS 23 2HD LYS 23 -7.425 7.696 -0.201
175 HE2 LYS 23 1HE LYS 23 -7.304 10.080 -0.119
176 HE3 LYS 23 2HE LYS 23 -5.817 9.453 0.586
177 HZ1 LYS 23 3HZ LYS 23 -6.095 10.488 -2.193
178 HZ2 LYS 23 1HZ LYS 23 -4.698 9.940 -1.540
179 HZ3 LYS 23 2HZ LYS 23 -5.398 11.293 -0.959
180 H ASN 24 H ASN 24 -4.192 4.424 2.059
181 HA ASN 24 HA ASN 24 -2.170 5.347 3.925
182 HB2 ASN 24 1HB ASN 24 -4.013 2.931 3.853
183 HB3 ASN 24 2HB ASN 24 -2.855 3.207 5.153
184 HD21 ASN 24 1HD2 ASN 24 -6.059 3.744 4.352
185 HD22 ASN 24 2HD2 ASN 24 -6.325 5.095 5.457
186 H LEU 25 H LEU 25 -2.148 2.744 1.480
187 HA LEU 25 HA LEU 25 0.425 1.712 2.257
188 HB2 LEU 25 1HB LEU 25 -1.039 0.391 0.873
189 HB3 LEU 25 2HB LEU 25 -1.104 1.643 -0.363
190 HG LEU 25 HG LEU 25 1.289 1.325 -0.866
191 HD11 LEU 25 1HD1 LEU 25 2.053 0.467 1.372
192 HD12 LEU 25 2HD1 LEU 25 2.539 -0.548 0.024
193 HD13 LEU 25 3HD1 LEU 25 1.179 -1.047 1.052
194 HD21 LEU 25 3HD2 LEU 25 -0.451 0.054 -2.076
195 HD22 LEU 25 1HD2 LEU 25 -0.255 -1.281 -0.909
196 HD23 LEU 25 2HD2 LEU 25 1.089 -0.813 -1.972
197 H ILE 26 H ILE 26 -0.488 4.304 -0.109
198 HA ILE 26 HA ILE 26 2.197 4.879 -0.909
199 HB ILE 26 HB ILE 26 -0.329 6.555 -0.906
200 HG12 ILE 26 1HG1 ILE 26 1.275 5.397 -3.235
201 HG13 ILE 26 2HG1 ILE 26 0.011 4.479 -2.439
202 HG21 ILE 26 1HG2 ILE 26 0.903 8.144 -2.416
203 HG22 ILE 26 2HG2 ILE 26 1.533 8.154 -0.778
204 HG23 ILE 26 3HG2 ILE 26 2.411 7.271 -2.054
205 HD11 ILE 26 3HD1 ILE 26 -0.892 5.506 -4.430
206 HD12 ILE 26 1HD1 ILE 26 -1.655 6.236 -3.003
207 HD13 ILE 26 2HD1 ILE 26 -0.396 7.118 -3.903
208 H LYS 27 H LYS 27 0.280 6.259 1.810
209 HA LYS 27 HA LYS 27 2.377 7.953 2.822
210 HB2 LYS 27 1HB LYS 27 0.065 6.560 4.218
211 HB3 LYS 27 2HB LYS 27 1.159 7.690 5.026
212 HG2 LYS 27 1HG LYS 27 0.568 9.465 3.393
213 HG3 LYS 27 2HG LYS 27 -0.597 8.384 2.629
214 HD2 LYS 27 1HD LYS 27 -0.684 9.362 5.519
215 HD3 LYS 27 2HD LYS 27 -1.686 9.959 4.185
216 HE2 LYS 27 1HE LYS 27 -2.672 7.695 3.904
217 HE3 LYS 27 2HE LYS 27 -1.676 7.097 5.238
218 HZ1 LYS 27 3HZ LYS 27 -3.809 9.140 5.482
219 HZ2 LYS 27 1HZ LYS 27 -2.826 8.674 6.708
220 HZ3 LYS 27 2HZ LYS 27 -3.846 7.591 6.031
221 H HIS 28 H HIS 28 1.665 4.503 3.574
222 HA HIS 28 HA HIS 28 3.823 4.087 5.382
223 HB2 HIS 28 1HB HIS 28 2.144 2.429 5.217
224 HB3 HIS 28 2HB HIS 28 2.316 2.271 3.478
225 HD1 HIS 28 1HD HIS 28 4.172 1.247 6.680
226 HD2 HIS 28 2HD HIS 28 4.195 0.661 2.520
227 HE1 HIS 28 1HE HIS 28 5.894 -0.558 6.251
228 H ILE 29 H ILE 29 3.802 3.737 1.790
229 HA ILE 29 HA ILE 29 6.534 2.945 1.559
230 HB ILE 29 HB ILE 29 4.647 4.297 -0.391
231 HG12 ILE 29 1HG1 ILE 29 5.721 1.439 -0.396
232 HG13 ILE 29 2HG1 ILE 29 4.238 1.878 0.433
233 HG21 ILE 29 1HG2 ILE 29 6.928 4.876 -1.099
234 HG22 ILE 29 2HG2 ILE 29 7.434 3.176 -0.944
235 HG23 ILE 29 3HG2 ILE 29 6.271 3.674 -2.189
236 HD11 ILE 29 3HD1 ILE 29 4.724 2.120 -2.560
237 HD12 ILE 29 1HD1 ILE 29 3.657 0.990 -1.722
238 HD13 ILE 29 2HD1 ILE 29 3.279 2.725 -1.715
239 H ARG 30 H ARG 30 5.105 6.247 1.347
240 HA ARG 30 HA ARG 30 7.639 7.599 1.024
241 HB2 ARG 30 1HB ARG 30 4.911 8.519 2.037
242 HB3 ARG 30 2HB ARG 30 6.278 9.612 1.788
243 HG2 ARG 30 1HG ARG 30 6.382 9.053 -0.590
244 HG3 ARG 30 2HG ARG 30 5.075 7.872 -0.415
245 HD2 ARG 30 1HD ARG 30 3.522 9.643 0.289
246 HD3 ARG 30 2HD ARG 30 4.798 10.853 0.180
247 HE ARG 30 HE ARG 30 3.300 9.609 -2.022
248 HH11 ARG 30 2HH2 ARG 30 6.168 11.497 -1.302
249 HH12 ARG 30 1HH2 ARG 30 6.287 12.094 -2.934
250 HH21 ARG 30 2HH1 ARG 30 3.523 10.406 -4.080
251 HH22 ARG 30 1HH1 ARG 30 4.830 11.488 -4.456
252 H ASP 31 H ASP 31 5.950 6.580 3.970
253 HA ASP 31 HA ASP 31 7.739 8.058 5.722
254 HB2 ASP 31 1HB ASP 31 5.389 7.531 6.272
255 HB3 ASP 31 2HB ASP 31 5.788 5.811 6.329
256 H MET 32 H MET 32 7.598 4.623 4.669
257 HA MET 32 HA MET 32 9.932 4.020 6.418
258 HB2 MET 32 1HB MET 32 7.957 2.139 5.080
259 HB3 MET 32 2HB MET 32 9.266 1.695 6.175
260 HG2 MET 32 1HG MET 32 8.129 3.391 7.832
261 HG3 MET 32 2HG MET 32 6.726 3.201 6.779
262 HE1 MET 32 3HE MET 32 9.482 0.593 8.173
263 HE2 MET 32 1HE MET 32 9.025 1.681 9.504
264 HE3 MET 32 2HE MET 32 8.559 -0.032 9.552
265 H HIS 33 H HIS 33 9.281 4.242 2.975
266 HA HIS 33 HA HIS 33 11.852 2.789 2.412
267 HB2 HIS 33 1HB HIS 33 9.322 2.712 0.746
268 HB3 HIS 33 2HB HIS 33 10.795 1.782 0.495
269 HD1 HIS 33 1HD HIS 33 11.233 0.519 3.347
270 HD2 HIS 33 2HD HIS 33 7.518 1.008 1.455
271 HE1 HIS 33 1HE HIS 33 9.676 -1.150 4.451
272 H ASP 34 H ASP 34 9.647 5.303 1.231
273 HA ASP 34 HA ASP 34 9.804 6.893 -0.366
274 HB2 ASP 34 1HB ASP 34 10.691 7.890 1.669
275 HB3 ASP 34 2HB ASP 34 12.330 7.462 1.195
276 HA PRO 35 HA PRO 35 12.723 4.898 -3.359
277 HB2 PRO 35 1HB PRO 35 10.981 3.927 -5.194
278 HB3 PRO 35 2HB PRO 35 11.222 3.140 -3.611
279 HG2 PRO 35 1HG PRO 35 9.041 5.127 -4.359
280 HG3 PRO 35 2HG PRO 35 8.842 3.510 -3.612
281 HD2 PRO 35 1HD PRO 35 8.937 5.799 -2.126
282 HD3 PRO 35 2HD PRO 35 9.640 4.261 -1.535
283 H GLN 36 H GLN 36 12.930 7.454 -3.211
284 HA GLN 36 HA GLN 36 11.554 8.961 -5.247
285 HB2 GLN 36 1HB GLN 36 12.416 10.861 -4.306
286 HB3 GLN 36 2HB GLN 36 12.226 9.772 -2.947
287 HG2 GLN 36 1HG GLN 36 14.844 10.486 -4.354
288 HG3 GLN 36 2HG GLN 36 14.281 11.115 -2.816
289 HE21 GLN 36 1HE2 GLN 36 13.974 9.425 -0.979
290 HE22 GLN 36 2HE2 GLN 36 15.121 8.102 -1.005
291 H ASP 37 H ASP 37 14.303 7.065 -5.588
292 HA ASP 37 HA ASP 37 14.950 8.247 -8.231
293 HB2 ASP 37 1HB ASP 37 16.560 9.239 -6.652
294 HB3 ASP 37 2HB ASP 37 17.016 7.637 -6.082
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -5.197 -5.261 -11.992
2 H2 GLY 1 2H GLY 1 -5.473 -5.882 -13.484
3 H3 GLY 1 3H GLY 1 -5.118 -6.879 -12.231
4 HA2 GLY 1 1HA GLY 1 -7.552 -5.235 -12.467
5 HA3 GLY 1 2HA GLY 1 -7.470 -6.985 -12.741
6 H SER 2 H SER 2 -9.263 -6.027 -10.925
7 HA SER 2 HA SER 2 -8.239 -6.108 -8.192
8 HB2 SER 2 1HB SER 2 -10.644 -6.001 -7.594
9 HB3 SER 2 2HB SER 2 -10.127 -4.709 -8.688
10 HG SER 2 HG SER 2 -12.117 -5.663 -9.344
11 H SER 3 H SER 3 -9.114 -7.620 -6.570
12 HA SER 3 HA SER 3 -9.869 -10.320 -7.482
13 HB2 SER 3 1HB SER 3 -7.355 -10.250 -7.470
14 HB3 SER 3 2HB SER 3 -7.416 -9.892 -5.733
15 HG SER 3 HG SER 3 -7.180 -12.156 -6.220
16 H GLY 4 H GLY 4 -10.692 -11.650 -5.804
17 HA2 GLY 4 1HA GLY 4 -11.852 -12.128 -3.858
18 HA3 GLY 4 2HA GLY 4 -11.236 -10.658 -3.113
19 H SER 5 H SER 5 -13.768 -11.451 -2.617
20 HA SER 5 HA SER 5 -15.514 -9.454 -4.016
21 HB2 SER 5 1HB SER 5 -17.339 -11.097 -3.879
22 HB3 SER 5 2HB SER 5 -15.983 -11.684 -4.857
23 HG SER 5 HG SER 5 -16.748 -13.283 -3.384
24 H SER 6 H SER 6 -14.466 -10.666 -0.933
25 HA SER 6 HA SER 6 -16.767 -9.658 0.572
26 HB2 SER 6 1HB SER 6 -15.451 -10.467 2.518
27 HB3 SER 6 2HB SER 6 -15.719 -11.703 1.277
28 HG SER 6 HG SER 6 -13.533 -11.656 2.023
29 H GLY 7 H GLY 7 -13.989 -8.172 -0.684
30 HA2 GLY 7 1HA GLY 7 -14.411 -5.614 0.442
31 HA3 GLY 7 2HA GLY 7 -13.181 -6.424 1.418
32 H ILE 8 H ILE 8 -11.739 -4.741 0.701
33 HA ILE 8 HA ILE 8 -10.362 -5.413 -1.829
34 HB ILE 8 HB ILE 8 -11.817 -3.507 -2.318
35 HG12 ILE 8 1HG1 ILE 8 -8.884 -2.680 -2.322
36 HG13 ILE 8 2HG1 ILE 8 -9.599 -3.856 -3.433
37 HG21 ILE 8 1HG2 ILE 8 -10.200 -1.904 -0.288
38 HG22 ILE 8 2HG2 ILE 8 -11.509 -1.305 -1.323
39 HG23 ILE 8 3HG2 ILE 8 -11.870 -2.459 -0.045
40 HD11 ILE 8 3HD1 ILE 8 -10.315 -0.903 -3.234
41 HD12 ILE 8 1HD1 ILE 8 -9.452 -1.724 -4.543
42 HD13 ILE 8 2HD1 ILE 8 -11.165 -2.087 -4.258
43 H LYS 9 H LYS 9 -8.156 -5.128 -1.833
44 HA LYS 9 HA LYS 9 -6.738 -4.170 0.568
45 HB2 LYS 9 1HB LYS 9 -5.497 -6.252 0.877
46 HB3 LYS 9 2HB LYS 9 -7.223 -6.501 1.128
47 HG2 LYS 9 1HG LYS 9 -7.416 -7.486 -1.157
48 HG3 LYS 9 2HG LYS 9 -5.677 -7.246 -1.401
49 HD2 LYS 9 1HD LYS 9 -5.186 -8.762 0.484
50 HD3 LYS 9 2HD LYS 9 -6.930 -8.985 0.767
51 HE2 LYS 9 1HE LYS 9 -7.177 -9.894 -1.538
52 HE3 LYS 9 2HE LYS 9 -5.444 -9.681 -1.810
53 HZ1 LYS 9 3HZ LYS 9 -5.966 -11.961 -1.160
54 HZ2 LYS 9 1HZ LYS 9 -6.637 -11.472 0.242
55 HZ3 LYS 9 2HZ LYS 9 -5.033 -11.278 -0.010
56 H GLN 10 H GLN 10 -4.537 -3.884 0.311
57 HA GLN 10 HA GLN 10 -3.254 -4.217 -2.340
58 HB2 GLN 10 1HB GLN 10 -3.199 -1.626 -0.725
59 HB3 GLN 10 2HB GLN 10 -2.297 -1.950 -2.205
60 HG2 GLN 10 1HG GLN 10 -5.332 -1.758 -2.025
61 HG3 GLN 10 2HG GLN 10 -4.251 -0.485 -2.554
62 HE21 GLN 10 1HE2 GLN 10 -6.241 -1.199 -4.289
63 HE22 GLN 10 2HE2 GLN 10 -5.535 -2.078 -5.638
64 H HIS 11 H HIS 11 -0.821 -4.137 -2.107
65 HA HIS 11 HA HIS 11 0.129 -4.416 0.682
66 HB2 HIS 11 1HB HIS 11 1.292 -6.455 0.309
67 HB3 HIS 11 2HB HIS 11 -0.398 -6.701 -0.104
68 HD1 HIS 11 1HD HIS 11 3.038 -6.267 -1.864
69 HD2 HIS 11 2HD HIS 11 -0.925 -7.507 -2.587
70 HE1 HIS 11 1HE HIS 11 3.035 -7.349 -4.172
71 H CYS 12 H CYS 12 2.266 -4.128 1.084
72 HA CYS 12 HA CYS 12 3.720 -2.205 -0.452
73 HB2 CYS 12 1HB CYS 12 3.740 -2.518 1.999
74 HB3 CYS 12 2HB CYS 12 4.559 -4.071 1.791
75 H ARG 13 H ARG 13 5.744 -2.399 -1.369
76 HA ARG 13 HA ARG 13 6.350 -4.983 -2.785
77 HB2 ARG 13 1HB ARG 13 6.872 -2.115 -3.671
78 HB3 ARG 13 2HB ARG 13 7.403 -3.567 -4.535
79 HG2 ARG 13 1HG ARG 13 5.021 -4.301 -4.742
80 HG3 ARG 13 2HG ARG 13 4.503 -2.785 -3.984
81 HD2 ARG 13 1HD ARG 13 5.574 -1.494 -5.793
82 HD3 ARG 13 2HD ARG 13 6.116 -2.982 -6.569
83 HE ARG 13 HE ARG 13 3.404 -1.843 -6.543
84 HH11 ARG 13 2HH1 ARG 13 5.206 -4.772 -7.243
85 HH12 ARG 13 1HH1 ARG 13 3.925 -5.425 -8.228
86 HH21 ARG 13 2HH2 ARG 13 1.824 -2.737 -7.811
87 HH22 ARG 13 1HH2 ARG 13 2.068 -4.299 -8.536
88 H PHE 14 H PHE 14 7.441 -3.108 -0.288
89 HA PHE 14 HA PHE 14 10.316 -3.869 -0.685
90 HB2 PHE 14 1HB PHE 14 9.166 -1.662 1.020
91 HB3 PHE 14 2HB PHE 14 10.858 -1.941 0.665
92 HD1 PHE 14 2HD PHE 14 11.792 -1.362 -1.571
93 HD2 PHE 14 1HD PHE 14 7.668 -0.570 -0.585
94 HE1 PHE 14 2HE PHE 14 11.611 0.161 -3.527
95 HE2 PHE 14 1HE PHE 14 7.488 0.939 -2.547
96 HZ PHE 14 HZ PHE 14 9.458 1.304 -4.022
97 H CYS 15 H CYS 15 7.615 -3.956 1.616
98 HA CYS 15 HA CYS 15 9.102 -5.975 3.208
99 HB2 CYS 15 1HB CYS 15 8.407 -5.044 5.283
100 HB3 CYS 15 2HB CYS 15 9.268 -3.817 4.361
101 H LYS 16 H LYS 16 6.542 -5.575 1.293
102 HA LYS 16 HA LYS 16 4.629 -6.664 0.810
103 HB2 LYS 16 1HB LYS 16 6.028 -8.939 2.236
104 HB3 LYS 16 2HB LYS 16 4.689 -9.095 1.094
105 HG2 LYS 16 1HG LYS 16 6.058 -8.044 -0.688
106 HG3 LYS 16 2HG LYS 16 7.432 -7.939 0.431
107 HD2 LYS 16 1HD LYS 16 7.417 -10.399 0.698
108 HD3 LYS 16 2HD LYS 16 6.052 -10.515 -0.436
109 HE2 LYS 16 1HE LYS 16 7.441 -9.465 -2.209
110 HE3 LYS 16 2HE LYS 16 8.798 -9.341 -1.082
111 HZ1 LYS 16 3HZ LYS 16 8.810 -11.777 -0.933
112 HZ2 LYS 16 1HZ LYS 16 8.993 -11.313 -2.486
113 HZ3 LYS 16 2HZ LYS 16 7.557 -11.892 -1.976
114 H LYS 17 H LYS 17 4.624 -5.382 3.630
115 HA LYS 17 HA LYS 17 2.502 -6.722 5.052
116 HB2 LYS 17 1HB LYS 17 3.359 -3.798 5.084
117 HB3 LYS 17 2HB LYS 17 2.251 -4.561 6.235
118 HG2 LYS 17 1HG LYS 17 4.045 -6.118 6.955
119 HG3 LYS 17 2HG LYS 17 5.164 -5.363 5.811
120 HD2 LYS 17 1HD LYS 17 4.714 -3.149 7.004
121 HD3 LYS 17 2HD LYS 17 3.904 -4.080 8.268
122 HE2 LYS 17 1HE LYS 17 6.790 -4.435 7.320
123 HE3 LYS 17 2HE LYS 17 6.305 -3.534 8.758
124 HZ1 LYS 17 3HZ LYS 17 5.395 -5.611 9.673
125 HZ2 LYS 17 1HZ LYS 17 6.987 -5.770 9.352
126 HZ3 LYS 17 2HZ LYS 17 5.889 -6.449 8.356
127 H LYS 18 H LYS 18 0.330 -6.164 5.253
128 HA LYS 18 HA LYS 18 -0.953 -5.367 2.695
129 HB2 LYS 18 1HB LYS 18 -1.351 -7.611 3.668
130 HB3 LYS 18 2HB LYS 18 -2.032 -6.853 5.112
131 HG2 LYS 18 1HG LYS 18 -3.869 -5.881 3.735
132 HG3 LYS 18 2HG LYS 18 -3.132 -6.554 2.277
133 HD2 LYS 18 1HD LYS 18 -4.997 -7.936 2.958
134 HD3 LYS 18 2HD LYS 18 -3.495 -8.850 3.160
135 HE2 LYS 18 1HE LYS 18 -3.516 -8.340 5.597
136 HE3 LYS 18 2HE LYS 18 -4.991 -7.386 5.389
137 HZ1 LYS 18 3HZ LYS 18 -6.127 -9.425 4.680
138 HZ2 LYS 18 1HZ LYS 18 -5.480 -9.637 6.161
139 HZ3 LYS 18 2HZ LYS 18 -4.759 -10.304 4.860
140 H TYR 19 H TYR 19 -2.472 -3.849 2.484
141 HA TYR 19 HA TYR 19 -3.481 -2.301 4.814
142 HB2 TYR 19 1HB TYR 19 -2.133 -1.199 2.330
143 HB3 TYR 19 2HB TYR 19 -3.300 -0.252 3.235
144 HD1 TYR 19 1HD TYR 19 -2.849 0.614 5.451
145 HD2 TYR 19 2HD TYR 19 0.084 -1.774 3.374
146 HE1 TYR 19 1HE TYR 19 -1.132 1.266 7.129
147 HE2 TYR 19 2HE TYR 19 1.804 -1.117 5.058
148 HH TYR 19 HH TYR 19 1.015 1.006 7.844
149 H SER 20 H SER 20 -5.555 -1.369 4.499
150 HA SER 20 HA SER 20 -7.259 -2.793 2.574
151 HB2 SER 20 1HB SER 20 -9.090 -1.705 3.854
152 HB3 SER 20 2HB SER 20 -7.986 -2.662 4.857
153 HG SER 20 HG SER 20 -8.455 -0.600 5.783
154 H ASP 21 H ASP 21 -5.528 0.086 2.394
155 HA ASP 21 HA ASP 21 -7.233 1.204 0.240
156 HB2 ASP 21 1HB ASP 21 -8.109 2.322 2.162
157 HB3 ASP 21 2HB ASP 21 -6.505 2.558 2.855
158 H VAL 22 H VAL 22 -6.145 2.321 -1.314
159 HA VAL 22 HA VAL 22 -3.335 1.796 -1.580
160 HB VAL 22 HB VAL 22 -4.985 1.874 -3.417
161 HG11 VAL 22 1HG1 VAL 22 -5.603 3.898 -4.540
162 HG12 VAL 22 2HG1 VAL 22 -6.154 4.004 -2.863
163 HG13 VAL 22 3HG1 VAL 22 -4.702 4.892 -3.387
164 HG21 VAL 22 3HG2 VAL 22 -2.563 3.641 -3.873
165 HG22 VAL 22 1HG2 VAL 22 -2.559 1.864 -3.843
166 HG23 VAL 22 2HG2 VAL 22 -3.462 2.727 -5.099
167 H LYS 23 H LYS 23 -5.084 4.751 -0.575
168 HA LYS 23 HA LYS 23 -2.726 6.387 -0.959
169 HB2 LYS 23 1HB LYS 23 -5.251 6.990 0.648
170 HB3 LYS 23 2HB LYS 23 -4.015 8.159 0.232
171 HG2 LYS 23 1HG LYS 23 -5.842 6.680 -1.709
172 HG3 LYS 23 2HG LYS 23 -5.974 8.361 -1.230
173 HD2 LYS 23 1HD LYS 23 -3.732 7.114 -2.875
174 HD3 LYS 23 2HD LYS 23 -5.009 8.153 -3.476
175 HE2 LYS 23 1HE LYS 23 -2.862 9.007 -1.476
176 HE3 LYS 23 2HE LYS 23 -2.797 9.288 -3.215
177 HZ1 LYS 23 3HZ LYS 23 -4.881 10.396 -1.408
178 HZ2 LYS 23 1HZ LYS 23 -4.823 10.624 -3.027
179 HZ3 LYS 23 2HZ LYS 23 -3.652 11.234 -2.074
180 H ASN 24 H ASN 24 -4.198 4.760 1.805
181 HA ASN 24 HA ASN 24 -2.230 5.497 3.785
182 HB2 ASN 24 1HB ASN 24 -4.193 3.190 3.491
183 HB3 ASN 24 2HB ASN 24 -3.037 3.256 4.819
184 HD21 ASN 24 1HD2 ASN 24 -5.739 5.105 3.326
185 HD22 ASN 24 2HD2 ASN 24 -6.135 5.938 4.833
186 H LEU 25 H LEU 25 -2.279 2.802 1.375
187 HA LEU 25 HA LEU 25 0.231 1.707 2.210
188 HB2 LEU 25 1HB LEU 25 -1.307 0.447 0.820
189 HB3 LEU 25 2HB LEU 25 -1.205 1.648 -0.464
190 HG LEU 25 HG LEU 25 1.182 1.118 -0.822
191 HD11 LEU 25 1HD1 LEU 25 2.191 -0.855 0.206
192 HD12 LEU 25 2HD1 LEU 25 0.752 -1.116 1.212
193 HD13 LEU 25 3HD1 LEU 25 1.791 0.307 1.462
194 HD21 LEU 25 3HD2 LEU 25 -0.624 -0.068 -2.054
195 HD22 LEU 25 1HD2 LEU 25 -0.533 -1.374 -0.843
196 HD23 LEU 25 2HD2 LEU 25 0.864 -1.008 -1.881
197 H ILE 26 H ILE 26 -0.487 4.253 -0.265
198 HA ILE 26 HA ILE 26 2.256 4.668 -0.996
199 HB ILE 26 HB ILE 26 -0.177 6.473 -1.149
200 HG12 ILE 26 1HG1 ILE 26 1.389 5.077 -3.373
201 HG13 ILE 26 2HG1 ILE 26 0.043 4.300 -2.562
202 HG21 ILE 26 1HG2 ILE 26 1.795 7.948 -1.068
203 HG22 ILE 26 2HG2 ILE 26 2.622 6.945 -2.283
204 HG23 ILE 26 3HG2 ILE 26 1.182 7.898 -2.711
205 HD11 ILE 26 3HD1 ILE 26 -0.749 5.264 -4.620
206 HD12 ILE 26 1HD1 ILE 26 -1.471 6.147 -3.261
207 HD13 ILE 26 2HD1 ILE 26 -0.132 6.864 -4.191
208 H LYS 27 H LYS 27 0.296 6.151 1.617
209 HA LYS 27 HA LYS 27 2.355 7.835 2.670
210 HB2 LYS 27 1HB LYS 27 -0.068 7.954 3.242
211 HB3 LYS 27 2HB LYS 27 0.087 6.455 4.169
212 HG2 LYS 27 1HG LYS 27 1.724 7.545 5.680
213 HG3 LYS 27 2HG LYS 27 1.626 9.034 4.717
214 HD2 LYS 27 1HD LYS 27 -0.787 9.230 5.271
215 HD3 LYS 27 2HD LYS 27 -0.689 7.736 6.230
216 HE2 LYS 27 1HE LYS 27 1.012 8.798 7.701
217 HE3 LYS 27 2HE LYS 27 0.919 10.282 6.743
218 HZ1 LYS 27 3HZ LYS 27 -1.422 10.484 7.402
219 HZ2 LYS 27 1HZ LYS 27 -0.472 10.422 8.727
220 HZ3 LYS 27 2HZ LYS 27 -1.337 9.110 8.287
221 H HIS 28 H HIS 28 1.571 4.412 3.504
222 HA HIS 28 HA HIS 28 3.712 3.971 5.324
223 HB2 HIS 28 1HB HIS 28 2.022 2.319 5.139
224 HB3 HIS 28 2HB HIS 28 2.221 2.152 3.407
225 HD1 HIS 28 1HD HIS 28 3.748 0.895 6.641
226 HD2 HIS 28 2HD HIS 28 4.254 0.638 2.486
227 HE1 HIS 28 1HE HIS 28 5.464 -0.938 6.270
228 H ILE 29 H ILE 29 3.705 3.543 1.740
229 HA ILE 29 HA ILE 29 6.415 2.712 1.536
230 HB ILE 29 HB ILE 29 4.523 4.016 -0.437
231 HG12 ILE 29 1HG1 ILE 29 5.643 1.175 -0.336
232 HG13 ILE 29 2HG1 ILE 29 4.132 1.636 0.433
233 HG21 ILE 29 1HG2 ILE 29 6.155 3.358 -2.233
234 HG22 ILE 29 2HG2 ILE 29 6.744 4.643 -1.202
235 HG23 ILE 29 3HG2 ILE 29 7.343 2.982 -0.965
236 HD11 ILE 29 3HD1 ILE 29 3.232 2.373 -1.783
237 HD12 ILE 29 1HD1 ILE 29 4.695 1.710 -2.550
238 HD13 ILE 29 2HD1 ILE 29 3.598 0.640 -1.670
239 H ARG 30 H ARG 30 5.109 6.066 1.221
240 HA ARG 30 HA ARG 30 7.795 7.157 0.881
241 HB2 ARG 30 1HB ARG 30 5.106 8.490 1.398
242 HB3 ARG 30 2HB ARG 30 6.612 9.356 1.056
243 HG2 ARG 30 1HG ARG 30 6.822 8.131 -1.111
244 HG3 ARG 30 2HG ARG 30 5.268 7.342 -0.807
245 HD2 ARG 30 1HD ARG 30 4.167 9.568 -0.709
246 HD3 ARG 30 2HD ARG 30 5.706 10.349 -1.076
247 HE ARG 30 HE ARG 30 3.928 8.936 -2.920
248 HH11 ARG 30 2HH1 ARG 30 7.287 10.057 -2.621
249 HH12 ARG 30 1HH1 ARG 30 7.463 9.978 -4.380
250 HH21 ARG 30 2HH2 ARG 30 4.430 8.848 -5.135
251 HH22 ARG 30 1HH2 ARG 30 6.034 9.374 -5.622
252 H ASP 31 H ASP 31 5.974 6.458 3.775
253 HA ASP 31 HA ASP 31 7.767 8.092 5.441
254 HB2 ASP 31 1HB ASP 31 5.355 7.770 5.947
255 HB3 ASP 31 2HB ASP 31 5.667 6.055 6.241
256 H MET 32 H MET 32 7.434 4.618 4.634
257 HA MET 32 HA MET 32 9.608 3.912 6.523
258 HB2 MET 32 1HB MET 32 7.724 2.189 4.871
259 HB3 MET 32 2HB MET 32 8.903 1.586 6.022
260 HG2 MET 32 1HG MET 32 6.559 3.400 6.699
261 HG3 MET 32 2HG MET 32 6.618 1.665 6.953
262 HE1 MET 32 3HE MET 32 9.125 1.216 9.903
263 HE2 MET 32 1HE MET 32 8.002 0.426 8.774
264 HE3 MET 32 2HE MET 32 9.542 1.098 8.184
265 H HIS 33 H HIS 33 9.134 4.057 3.015
266 HA HIS 33 HA HIS 33 11.789 2.718 2.596
267 HB2 HIS 33 1HB HIS 33 9.333 2.546 0.825
268 HB3 HIS 33 2HB HIS 33 10.819 1.622 0.681
269 HD1 HIS 33 1HD HIS 33 11.155 0.402 3.538
270 HD2 HIS 33 2HD HIS 33 7.486 0.904 1.565
271 HE1 HIS 33 1HE HIS 33 9.556 -1.234 4.635
272 H ASP 34 H ASP 34 9.611 5.241 1.450
273 HA ASP 34 HA ASP 34 9.822 6.998 0.057
274 HB2 ASP 34 1HB ASP 34 10.897 7.659 2.159
275 HB3 ASP 34 2HB ASP 34 12.463 7.222 1.496
276 HA PRO 35 HA PRO 35 12.444 5.172 -3.363
277 HB2 PRO 35 1HB PRO 35 10.447 4.557 -5.114
278 HB3 PRO 35 2HB PRO 35 10.955 3.444 -3.806
279 HG2 PRO 35 1HG PRO 35 8.642 5.419 -3.773
280 HG3 PRO 35 2HG PRO 35 8.610 3.676 -3.351
281 HD2 PRO 35 1HD PRO 35 8.862 5.605 -1.446
282 HD3 PRO 35 2HD PRO 35 9.741 4.052 -1.312
283 H GLN 36 H GLN 36 12.809 6.205 -5.378
284 HA GLN 36 HA GLN 36 12.251 9.042 -5.357
285 HB2 GLN 36 1HB GLN 36 13.890 7.381 -7.316
286 HB3 GLN 36 2HB GLN 36 13.855 9.136 -7.194
287 HG2 GLN 36 1HG GLN 36 15.800 8.598 -6.074
288 HG3 GLN 36 2HG GLN 36 14.655 8.903 -4.778
289 HE21 GLN 36 1HE2 GLN 36 16.581 7.662 -3.681
290 HE22 GLN 36 2HE2 GLN 36 16.396 5.914 -3.624
291 H ASP 37 H ASP 37 9.836 7.881 -5.716
292 HA ASP 37 HA ASP 37 9.033 8.121 -8.578
293 HB2 ASP 37 1HB ASP 37 8.339 6.099 -7.383
294 HB3 ASP 37 2HB ASP 37 7.531 7.071 -6.158
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -23.737 -13.697 -11.028
2 H2 GLY 1 2H GLY 1 -22.388 -13.862 -11.946
3 H3 GLY 1 3H GLY 1 -23.085 -12.390 -11.773
4 HA2 GLY 1 1HA GLY 1 -22.562 -12.338 -9.428
5 HA3 GLY 1 2HA GLY 1 -21.822 -13.940 -9.604
6 H SER 2 H SER 2 -20.546 -11.522 -8.650
7 HA SER 2 HA SER 2 -18.856 -10.363 -10.674
8 HB2 SER 2 1HB SER 2 -18.483 -10.436 -7.658
9 HB3 SER 2 2HB SER 2 -17.690 -9.328 -8.789
10 HG SER 2 HG SER 2 -19.722 -8.439 -9.287
11 H SER 3 H SER 3 -16.620 -10.549 -10.974
12 HA SER 3 HA SER 3 -15.410 -13.198 -10.267
13 HB2 SER 3 1HB SER 3 -15.036 -11.578 -12.805
14 HB3 SER 3 2HB SER 3 -14.348 -13.173 -12.459
15 HG SER 3 HG SER 3 -16.453 -14.029 -12.399
16 H GLY 4 H GLY 4 -15.045 -10.312 -9.066
17 HA2 GLY 4 1HA GLY 4 -12.309 -9.555 -9.541
18 HA3 GLY 4 2HA GLY 4 -13.320 -9.028 -8.200
19 H SER 5 H SER 5 -10.513 -9.655 -8.114
20 HA SER 5 HA SER 5 -9.955 -12.251 -7.105
21 HB2 SER 5 1HB SER 5 -8.412 -9.668 -6.668
22 HB3 SER 5 2HB SER 5 -7.795 -11.316 -6.430
23 HG SER 5 HG SER 5 -7.231 -10.460 -8.494
24 H SER 6 H SER 6 -9.948 -13.160 -5.135
25 HA SER 6 HA SER 6 -11.600 -12.091 -3.110
26 HB2 SER 6 1HB SER 6 -9.695 -14.452 -2.915
27 HB3 SER 6 2HB SER 6 -11.120 -14.149 -1.905
28 HG SER 6 HG SER 6 -11.567 -15.625 -3.608
29 H GLY 7 H GLY 7 -8.167 -11.654 -3.440
30 HA2 GLY 7 1HA GLY 7 -7.396 -11.471 -0.696
31 HA3 GLY 7 2HA GLY 7 -6.553 -10.749 -2.070
32 H ILE 8 H ILE 8 -8.817 -9.100 -2.840
33 HA ILE 8 HA ILE 8 -9.606 -7.067 -2.748
34 HB ILE 8 HB ILE 8 -10.792 -8.529 -0.847
35 HG12 ILE 8 1HG1 ILE 8 -11.965 -7.239 -2.467
36 HG13 ILE 8 2HG1 ILE 8 -12.634 -7.014 -0.862
37 HG21 ILE 8 1HG2 ILE 8 -9.562 -7.649 1.056
38 HG22 ILE 8 2HG2 ILE 8 -10.090 -5.994 0.677
39 HG23 ILE 8 3HG2 ILE 8 -11.273 -7.226 1.145
40 HD11 ILE 8 3HD1 ILE 8 -11.465 -4.771 -0.740
41 HD12 ILE 8 1HD1 ILE 8 -10.981 -5.007 -2.440
42 HD13 ILE 8 2HD1 ILE 8 -12.689 -4.909 -2.011
43 H LYS 9 H LYS 9 -7.264 -7.305 -0.090
44 HA LYS 9 HA LYS 9 -6.944 -4.389 0.083
45 HB2 LYS 9 1HB LYS 9 -5.521 -6.677 1.513
46 HB3 LYS 9 2HB LYS 9 -5.268 -4.964 1.834
47 HG2 LYS 9 1HG LYS 9 -7.864 -4.860 2.184
48 HG3 LYS 9 2HG LYS 9 -7.754 -6.622 2.334
49 HD2 LYS 9 1HD LYS 9 -6.112 -6.336 4.199
50 HD3 LYS 9 2HD LYS 9 -6.241 -4.573 4.014
51 HE2 LYS 9 1HE LYS 9 -8.788 -4.892 4.337
52 HE3 LYS 9 2HE LYS 9 -8.406 -6.533 4.879
53 HZ1 LYS 9 3HZ LYS 9 -7.472 -3.988 6.091
54 HZ2 LYS 9 1HZ LYS 9 -6.951 -5.469 6.594
55 HZ3 LYS 9 2HZ LYS 9 -8.521 -5.040 6.762
56 H GLN 10 H GLN 10 -4.919 -3.316 0.010
57 HA GLN 10 HA GLN 10 -3.256 -4.071 -2.339
58 HB2 GLN 10 1HB GLN 10 -3.255 -1.514 -0.685
59 HB3 GLN 10 2HB GLN 10 -2.401 -1.802 -2.203
60 HG2 GLN 10 1HG GLN 10 -5.423 -1.641 -1.855
61 HG3 GLN 10 2HG GLN 10 -4.375 -0.428 -2.576
62 HE21 GLN 10 1HE2 GLN 10 -3.136 -1.115 -4.621
63 HE22 GLN 10 2HE2 GLN 10 -3.961 -2.253 -5.672
64 H HIS 11 H HIS 11 -0.857 -4.006 -2.122
65 HA HIS 11 HA HIS 11 0.139 -4.316 0.641
66 HB2 HIS 11 1HB HIS 11 1.232 -6.387 0.254
67 HB3 HIS 11 2HB HIS 11 -0.463 -6.582 -0.163
68 HD1 HIS 11 1HD HIS 11 3.002 -6.339 -1.859
69 HD2 HIS 11 2HD HIS 11 -1.029 -7.240 -2.704
70 HE1 HIS 11 1HE HIS 11 2.969 -7.363 -4.195
71 H CYS 12 H CYS 12 2.304 -4.115 1.007
72 HA CYS 12 HA CYS 12 3.814 -2.265 -0.613
73 HB2 CYS 12 1HB CYS 12 3.822 -2.413 1.853
74 HB3 CYS 12 2HB CYS 12 4.577 -4.010 1.752
75 H ARG 13 H ARG 13 5.805 -2.599 -1.549
76 HA ARG 13 HA ARG 13 6.325 -5.317 -2.717
77 HB2 ARG 13 1HB ARG 13 7.298 -4.263 -4.637
78 HB3 ARG 13 2HB ARG 13 5.675 -3.628 -4.373
79 HG2 ARG 13 1HG ARG 13 6.670 -1.567 -3.334
80 HG3 ARG 13 2HG ARG 13 8.285 -2.240 -3.605
81 HD2 ARG 13 1HD ARG 13 7.841 -0.653 -5.337
82 HD3 ARG 13 2HD ARG 13 7.854 -2.275 -6.049
83 HE ARG 13 HE ARG 13 5.170 -1.530 -5.322
84 HH11 ARG 13 2HH1 ARG 13 7.545 -0.765 -7.780
85 HH12 ARG 13 1HH1 ARG 13 6.329 -0.320 -8.946
86 HH21 ARG 13 2HH2 ARG 13 3.669 -0.957 -6.861
87 HH22 ARG 13 1HH2 ARG 13 4.195 -0.426 -8.430
88 H PHE 14 H PHE 14 7.532 -3.171 -0.446
89 HA PHE 14 HA PHE 14 10.362 -4.091 -0.771
90 HB2 PHE 14 1HB PHE 14 9.259 -1.811 0.873
91 HB3 PHE 14 2HB PHE 14 10.948 -2.162 0.570
92 HD1 PHE 14 2HD PHE 14 11.851 -1.927 -1.818
93 HD2 PHE 14 1HD PHE 14 7.976 -0.454 -0.629
94 HE1 PHE 14 2HE PHE 14 11.814 -0.415 -3.792
95 HE2 PHE 14 1HE PHE 14 7.954 1.073 -2.587
96 HZ PHE 14 HZ PHE 14 9.871 1.085 -4.178
97 H CYS 15 H CYS 15 7.662 -4.071 1.528
98 HA CYS 15 HA CYS 15 9.115 -6.040 3.217
99 HB2 CYS 15 1HB CYS 15 8.507 -4.944 5.241
100 HB3 CYS 15 2HB CYS 15 9.371 -3.800 4.217
101 H LYS 16 H LYS 16 6.498 -5.626 1.360
102 HA LYS 16 HA LYS 16 4.555 -6.692 0.989
103 HB2 LYS 16 1HB LYS 16 5.935 -8.929 2.490
104 HB3 LYS 16 2HB LYS 16 4.566 -9.105 1.387
105 HG2 LYS 16 1HG LYS 16 5.919 -8.170 -0.473
106 HG3 LYS 16 2HG LYS 16 7.321 -8.053 0.610
107 HD2 LYS 16 1HD LYS 16 7.248 -10.497 0.987
108 HD3 LYS 16 2HD LYS 16 5.852 -10.626 -0.109
109 HE2 LYS 16 1HE LYS 16 7.224 -9.692 -1.959
110 HE3 LYS 16 2HE LYS 16 8.611 -9.557 -0.871
111 HZ1 LYS 16 3HZ LYS 16 8.720 -11.593 -2.191
112 HZ2 LYS 16 1HZ LYS 16 7.281 -12.109 -1.623
113 HZ3 LYS 16 2HZ LYS 16 8.562 -11.983 -0.616
114 H LYS 17 H LYS 17 4.590 -5.224 3.718
115 HA LYS 17 HA LYS 17 2.408 -6.410 5.203
116 HB2 LYS 17 1HB LYS 17 3.265 -3.498 4.897
117 HB3 LYS 17 2HB LYS 17 1.987 -4.080 5.973
118 HG2 LYS 17 1HG LYS 17 3.661 -5.504 7.177
119 HG3 LYS 17 2HG LYS 17 4.929 -4.877 6.117
120 HD2 LYS 17 1HD LYS 17 5.048 -3.622 8.153
121 HD3 LYS 17 2HD LYS 17 4.377 -2.550 6.921
122 HE2 LYS 17 1HE LYS 17 2.048 -3.201 7.818
123 HE3 LYS 17 2HE LYS 17 2.883 -4.024 9.141
124 HZ1 LYS 17 3HZ LYS 17 2.979 -1.128 8.501
125 HZ2 LYS 17 1HZ LYS 17 3.915 -1.824 9.665
126 HZ3 LYS 17 2HZ LYS 17 2.287 -1.804 9.812
127 H LYS 18 H LYS 18 0.230 -5.671 5.292
128 HA LYS 18 HA LYS 18 -0.959 -5.026 2.618
129 HB2 LYS 18 1HB LYS 18 -1.957 -6.681 4.951
130 HB3 LYS 18 2HB LYS 18 -2.953 -6.256 3.543
131 HG2 LYS 18 1HG LYS 18 -1.344 -7.420 2.050
132 HG3 LYS 18 2HG LYS 18 -0.371 -7.886 3.460
133 HD2 LYS 18 1HD LYS 18 -2.376 -9.064 4.404
134 HD3 LYS 18 2HD LYS 18 -3.261 -8.720 2.915
135 HE2 LYS 18 1HE LYS 18 -0.652 -10.306 3.102
136 HE3 LYS 18 2HE LYS 18 -2.261 -11.028 3.064
137 HZ1 LYS 18 3HZ LYS 18 -1.076 -9.405 0.876
138 HZ2 LYS 18 1HZ LYS 18 -2.591 -10.032 0.859
139 HZ3 LYS 18 2HZ LYS 18 -1.295 -11.020 0.861
140 H TYR 19 H TYR 19 -2.563 -3.560 2.415
141 HA TYR 19 HA TYR 19 -3.553 -2.051 4.781
142 HB2 TYR 19 1HB TYR 19 -2.310 -0.788 2.311
143 HB3 TYR 19 2HB TYR 19 -3.176 0.086 3.568
144 HD1 TYR 19 1HD TYR 19 -2.284 0.122 5.938
145 HD2 TYR 19 2HD TYR 19 0.001 -1.434 2.625
146 HE1 TYR 19 1HE TYR 19 -0.213 0.189 7.328
147 HE2 TYR 19 2HE TYR 19 2.069 -1.347 4.008
148 HH TYR 19 HH TYR 19 2.967 -0.778 6.019
149 H SER 20 H SER 20 -5.615 -1.329 4.636
150 HA SER 20 HA SER 20 -7.377 -2.682 2.896
151 HB2 SER 20 1HB SER 20 -7.941 -0.257 4.630
152 HB3 SER 20 2HB SER 20 -9.125 -1.442 4.048
153 HG SER 20 HG SER 20 -8.338 -1.756 6.247
154 H ASP 21 H ASP 21 -5.736 0.262 2.266
155 HA ASP 21 HA ASP 21 -7.148 0.619 -0.264
156 HB2 ASP 21 1HB ASP 21 -7.592 3.016 0.080
157 HB3 ASP 21 2HB ASP 21 -8.537 2.006 1.161
158 H VAL 22 H VAL 22 -6.080 2.196 -1.669
159 HA VAL 22 HA VAL 22 -3.258 1.730 -1.737
160 HB VAL 22 HB VAL 22 -4.837 2.031 -3.672
161 HG11 VAL 22 1HG1 VAL 22 -5.249 4.202 -4.618
162 HG12 VAL 22 2HG1 VAL 22 -5.913 4.170 -2.978
163 HG13 VAL 22 3HG1 VAL 22 -4.380 5.013 -3.307
164 HG21 VAL 22 3HG2 VAL 22 -2.282 3.657 -3.799
165 HG22 VAL 22 1HG2 VAL 22 -2.401 1.892 -3.959
166 HG23 VAL 22 2HG2 VAL 22 -3.158 2.944 -5.167
167 H LYS 23 H LYS 23 -5.099 4.406 -0.385
168 HA LYS 23 HA LYS 23 -2.944 6.319 -0.646
169 HB2 LYS 23 1HB LYS 23 -5.502 6.402 1.017
170 HB3 LYS 23 2HB LYS 23 -4.380 7.756 0.824
171 HG2 LYS 23 1HG LYS 23 -4.737 7.737 -1.627
172 HG3 LYS 23 2HG LYS 23 -5.873 6.384 -1.461
173 HD2 LYS 23 1HD LYS 23 -7.357 7.765 -0.059
174 HD3 LYS 23 2HD LYS 23 -6.225 9.134 -0.196
175 HE2 LYS 23 1HE LYS 23 -6.519 9.117 -2.666
176 HE3 LYS 23 2HE LYS 23 -7.645 7.761 -2.527
177 HZ1 LYS 23 3HZ LYS 23 -9.117 9.206 -1.223
178 HZ2 LYS 23 1HZ LYS 23 -8.825 9.878 -2.679
179 HZ3 LYS 23 2HZ LYS 23 -8.076 10.459 -1.352
180 H ASN 24 H ASN 24 -4.144 4.307 2.035
181 HA ASN 24 HA ASN 24 -2.109 5.102 3.938
182 HB2 ASN 24 1HB ASN 24 -3.985 2.722 3.701
183 HB3 ASN 24 2HB ASN 24 -2.757 2.813 4.963
184 HD21 ASN 24 1HD2 ASN 24 -5.718 4.359 3.743
185 HD22 ASN 24 2HD2 ASN 24 -6.006 5.275 5.225
186 H LEU 25 H LEU 25 -2.147 2.587 1.378
187 HA LEU 25 HA LEU 25 0.423 1.489 2.035
188 HB2 LEU 25 1HB LEU 25 -1.075 0.281 0.594
189 HB3 LEU 25 2HB LEU 25 -1.172 1.619 -0.542
190 HG LEU 25 HG LEU 25 1.188 1.319 -1.175
191 HD11 LEU 25 1HD1 LEU 25 2.435 -0.652 -0.466
192 HD12 LEU 25 2HD1 LEU 25 1.132 -1.139 0.633
193 HD13 LEU 25 3HD1 LEU 25 2.075 0.336 0.945
194 HD21 LEU 25 3HD2 LEU 25 0.922 -0.755 -2.398
195 HD22 LEU 25 1HD2 LEU 25 -0.617 0.122 -2.379
196 HD23 LEU 25 2HD2 LEU 25 -0.372 -1.276 -1.300
197 H ILE 26 H ILE 26 -0.459 4.152 -0.263
198 HA ILE 26 HA ILE 26 2.234 4.767 -1.001
199 HB ILE 26 HB ILE 26 -0.316 6.409 -1.007
200 HG12 ILE 26 1HG1 ILE 26 1.344 5.278 -3.312
201 HG13 ILE 26 2HG1 ILE 26 0.032 4.382 -2.569
202 HG21 ILE 26 1HG2 ILE 26 0.908 8.056 -2.455
203 HG22 ILE 26 2HG2 ILE 26 1.522 8.031 -0.815
204 HG23 ILE 26 3HG2 ILE 26 2.424 7.199 -2.105
205 HD11 ILE 26 3HD1 ILE 26 -0.253 7.030 -4.043
206 HD12 ILE 26 1HD1 ILE 26 -0.788 5.434 -4.573
207 HD13 ILE 26 2HD1 ILE 26 -1.567 6.199 -3.172
208 H LYS 27 H LYS 27 0.244 6.060 1.712
209 HA LYS 27 HA LYS 27 2.244 7.813 2.732
210 HB2 LYS 27 1HB LYS 27 -0.181 7.813 3.338
211 HB3 LYS 27 2HB LYS 27 0.051 6.309 4.224
212 HG2 LYS 27 1HG LYS 27 -0.017 8.191 5.738
213 HG3 LYS 27 2HG LYS 27 1.579 7.443 5.791
214 HD2 LYS 27 1HD LYS 27 2.529 9.271 4.435
215 HD3 LYS 27 2HD LYS 27 0.909 9.921 4.139
216 HE2 LYS 27 1HE LYS 27 1.896 11.305 5.799
217 HE3 LYS 27 2HE LYS 27 0.663 10.330 6.605
218 HZ1 LYS 27 3HZ LYS 27 3.598 9.774 6.647
219 HZ2 LYS 27 1HZ LYS 27 2.513 8.843 7.352
220 HZ3 LYS 27 2HZ LYS 27 2.721 10.378 7.897
221 H HIS 28 H HIS 28 1.632 4.354 3.536
222 HA HIS 28 HA HIS 28 3.785 3.995 5.354
223 HB2 HIS 28 1HB HIS 28 2.201 2.252 5.184
224 HB3 HIS 28 2HB HIS 28 2.330 2.155 3.434
225 HD1 HIS 28 1HD HIS 28 4.558 1.363 6.496
226 HD2 HIS 28 2HD HIS 28 4.095 0.503 2.408
227 HE1 HIS 28 1HE HIS 28 6.260 -0.435 5.977
228 H ILE 29 H ILE 29 3.802 3.636 1.759
229 HA ILE 29 HA ILE 29 6.554 2.916 1.566
230 HB ILE 29 HB ILE 29 4.690 4.244 -0.431
231 HG12 ILE 29 1HG1 ILE 29 5.766 1.383 -0.406
232 HG13 ILE 29 2HG1 ILE 29 4.271 1.817 0.400
233 HG21 ILE 29 1HG2 ILE 29 6.368 3.593 -2.174
234 HG22 ILE 29 2HG2 ILE 29 7.004 4.799 -1.074
235 HG23 ILE 29 3HG2 ILE 29 7.484 3.094 -0.888
236 HD11 ILE 29 3HD1 ILE 29 4.801 2.081 -2.584
237 HD12 ILE 29 1HD1 ILE 29 3.738 0.927 -1.775
238 HD13 ILE 29 2HD1 ILE 29 3.334 2.656 -1.756
239 H ARG 30 H ARG 30 5.046 6.179 1.362
240 HA ARG 30 HA ARG 30 7.535 7.619 1.095
241 HB2 ARG 30 1HB ARG 30 4.768 8.422 2.085
242 HB3 ARG 30 2HB ARG 30 6.101 9.565 1.884
243 HG2 ARG 30 1HG ARG 30 6.247 9.099 -0.510
244 HG3 ARG 30 2HG ARG 30 5.054 7.805 -0.379
245 HD2 ARG 30 1HD ARG 30 3.955 9.732 -1.277
246 HD3 ARG 30 2HD ARG 30 3.348 9.447 0.365
247 HE ARG 30 HE ARG 30 5.555 11.313 0.387
248 HH11 ARG 30 2HH2 ARG 30 2.152 11.243 -0.442
249 HH12 ARG 30 1HH2 ARG 30 1.948 12.946 -0.131
250 HH21 ARG 30 2HH1 ARG 30 5.224 13.477 0.771
251 HH22 ARG 30 1HH1 ARG 30 3.649 14.171 0.530
252 H ASP 31 H ASP 31 5.847 6.478 3.994
253 HA ASP 31 HA ASP 31 7.547 7.965 5.831
254 HB2 ASP 31 1HB ASP 31 5.623 5.639 6.200
255 HB3 ASP 31 2HB ASP 31 6.529 6.365 7.520
256 H MET 32 H MET 32 7.596 4.579 4.639
257 HA MET 32 HA MET 32 9.963 4.050 6.379
258 HB2 MET 32 1HB MET 32 7.978 2.110 5.148
259 HB3 MET 32 2HB MET 32 9.311 1.713 6.237
260 HG2 MET 32 1HG MET 32 8.238 3.385 7.895
261 HG3 MET 32 2HG MET 32 6.824 3.328 6.844
262 HE1 MET 32 3HE MET 32 9.013 1.547 9.508
263 HE2 MET 32 1HE MET 32 8.381 -0.115 9.531
264 HE3 MET 32 2HE MET 32 9.341 0.446 8.148
265 H HIS 33 H HIS 33 9.278 4.254 2.963
266 HA HIS 33 HA HIS 33 11.853 2.816 2.374
267 HB2 HIS 33 1HB HIS 33 9.308 2.731 0.730
268 HB3 HIS 33 2HB HIS 33 10.794 1.836 0.436
269 HD1 HIS 33 1HD HIS 33 11.293 0.514 3.256
270 HD2 HIS 33 2HD HIS 33 7.557 0.953 1.395
271 HE1 HIS 33 1HE HIS 33 9.798 -1.257 4.289
272 H ASP 34 H ASP 34 9.595 5.296 1.202
273 HA ASP 34 HA ASP 34 9.759 6.949 -0.332
274 HB2 ASP 34 1HB ASP 34 10.557 7.824 1.808
275 HB3 ASP 34 2HB ASP 34 12.219 7.492 1.338
276 HA PRO 35 HA PRO 35 12.929 4.911 -3.130
277 HB2 PRO 35 1HB PRO 35 11.274 4.123 -5.170
278 HB3 PRO 35 2HB PRO 35 11.543 3.160 -3.685
279 HG2 PRO 35 1HG PRO 35 9.259 5.079 -4.263
280 HG3 PRO 35 2HG PRO 35 9.159 3.400 -3.646
281 HD2 PRO 35 1HD PRO 35 9.070 5.530 -1.971
282 HD3 PRO 35 2HD PRO 35 9.946 4.035 -1.513
283 H GLN 36 H GLN 36 14.066 6.124 -4.499
284 HA GLN 36 HA GLN 36 12.916 8.641 -5.532
285 HB2 GLN 36 1HB GLN 36 15.189 9.418 -5.711
286 HB3 GLN 36 2HB GLN 36 14.847 8.768 -4.124
287 HG2 GLN 36 1HG GLN 36 16.995 7.998 -4.550
288 HG3 GLN 36 2HG GLN 36 16.000 6.592 -4.864
289 HE21 GLN 36 1HE2 GLN 36 17.620 5.618 -6.233
290 HE22 GLN 36 2HE2 GLN 36 18.010 6.309 -7.802
291 H ASP 37 H ASP 37 13.590 5.584 -6.837
292 HA ASP 37 HA ASP 37 13.144 6.545 -9.595
293 HB2 ASP 37 1HB ASP 37 15.592 6.444 -9.390
294 HB3 ASP 37 2HB ASP 37 15.497 4.790 -8.797
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -10.581 -19.724 -6.217
2 H2 GLY 1 2H GLY 1 -10.389 -18.863 -7.598
3 H3 GLY 1 3H GLY 1 -11.786 -18.750 -6.749
4 HA2 GLY 1 1HA GLY 1 -9.143 -17.842 -5.811
5 HA3 GLY 1 2HA GLY 1 -10.435 -16.784 -6.405
6 H SER 2 H SER 2 -9.131 -16.806 -3.765
7 HA SER 2 HA SER 2 -11.047 -17.843 -1.825
8 HB2 SER 2 1HB SER 2 -9.563 -16.697 -0.187
9 HB3 SER 2 2HB SER 2 -8.739 -17.863 -1.230
10 HG SER 2 HG SER 2 -7.572 -15.888 -1.030
11 H SER 3 H SER 3 -12.129 -16.557 -0.225
12 HA SER 3 HA SER 3 -13.494 -14.208 -1.338
13 HB2 SER 3 1HB SER 3 -14.943 -14.456 0.652
14 HB3 SER 3 2HB SER 3 -14.839 -15.924 -0.332
15 HG SER 3 HG SER 3 -14.631 -16.365 1.917
16 H GLY 4 H GLY 4 -13.933 -12.308 0.020
17 HA2 GLY 4 1HA GLY 4 -12.276 -11.565 2.247
18 HA3 GLY 4 2HA GLY 4 -11.674 -10.827 0.759
19 H SER 5 H SER 5 -12.491 -9.204 2.774
20 HA SER 5 HA SER 5 -15.280 -8.492 2.728
21 HB2 SER 5 1HB SER 5 -13.705 -8.118 4.623
22 HB3 SER 5 2HB SER 5 -12.914 -6.838 3.681
23 HG SER 5 HG SER 5 -14.550 -6.064 5.145
24 H SER 6 H SER 6 -12.459 -7.179 0.982
25 HA SER 6 HA SER 6 -14.223 -5.989 -1.027
26 HB2 SER 6 1HB SER 6 -13.183 -3.766 -0.944
27 HB3 SER 6 2HB SER 6 -14.064 -4.140 0.540
28 HG SER 6 HG SER 6 -12.051 -3.216 1.010
29 H GLY 7 H GLY 7 -13.227 -5.585 -3.017
30 HA2 GLY 7 1HA GLY 7 -10.919 -7.289 -3.577
31 HA3 GLY 7 2HA GLY 7 -11.939 -6.444 -4.737
32 H ILE 8 H ILE 8 -11.119 -3.989 -2.786
33 HA ILE 8 HA ILE 8 -9.044 -3.081 -4.665
34 HB ILE 8 HB ILE 8 -9.538 -0.819 -3.730
35 HG12 ILE 8 1HG1 ILE 8 -11.624 -0.425 -2.536
36 HG13 ILE 8 2HG1 ILE 8 -11.914 -2.149 -2.347
37 HG21 ILE 8 1HG2 ILE 8 -11.896 -2.370 -4.870
38 HG22 ILE 8 2HG2 ILE 8 -11.639 -0.616 -4.950
39 HG23 ILE 8 3HG2 ILE 8 -10.533 -1.705 -5.798
40 HD11 ILE 8 3HD1 ILE 8 -11.060 -0.998 -0.292
41 HD12 ILE 8 1HD1 ILE 8 -10.036 -2.345 -0.801
42 HD13 ILE 8 2HD1 ILE 8 -9.537 -0.666 -1.140
43 H LYS 9 H LYS 9 -8.684 -4.666 -1.864
44 HA LYS 9 HA LYS 9 -6.795 -3.003 -0.447
45 HB2 LYS 9 1HB LYS 9 -7.241 -6.009 -0.228
46 HB3 LYS 9 2HB LYS 9 -6.338 -4.986 0.898
47 HG2 LYS 9 1HG LYS 9 -8.553 -3.587 1.051
48 HG3 LYS 9 2HG LYS 9 -9.326 -5.014 0.353
49 HD2 LYS 9 1HD LYS 9 -8.522 -6.398 2.240
50 HD3 LYS 9 2HD LYS 9 -7.628 -5.007 2.889
51 HE2 LYS 9 1HE LYS 9 -9.914 -3.773 2.884
52 HE3 LYS 9 2HE LYS 9 -10.643 -5.364 2.664
53 HZ1 LYS 9 3HZ LYS 9 -10.503 -4.800 5.016
54 HZ2 LYS 9 1HZ LYS 9 -8.900 -4.505 4.919
55 HZ3 LYS 9 2HZ LYS 9 -9.467 -6.040 4.748
56 H GLN 10 H GLN 10 -4.587 -3.356 -0.068
57 HA GLN 10 HA GLN 10 -3.055 -4.283 -2.477
58 HB2 GLN 10 1HB GLN 10 -2.677 -1.674 -0.955
59 HB3 GLN 10 2HB GLN 10 -1.781 -2.207 -2.378
60 HG2 GLN 10 1HG GLN 10 -4.730 -1.444 -2.285
61 HG3 GLN 10 2HG GLN 10 -3.420 -0.485 -2.943
62 HE21 GLN 10 1HE2 GLN 10 -5.949 -1.897 -4.135
63 HE22 GLN 10 2HE2 GLN 10 -5.268 -2.624 -5.593
64 H HIS 11 H HIS 11 -0.652 -4.355 -2.068
65 HA HIS 11 HA HIS 11 0.122 -4.553 0.756
66 HB2 HIS 11 1HB HIS 11 1.301 -6.642 0.524
67 HB3 HIS 11 2HB HIS 11 -0.399 -6.870 0.146
68 HD1 HIS 11 1HD HIS 11 -0.963 -7.593 -2.402
69 HD2 HIS 11 2HD HIS 11 3.094 -6.924 -1.500
70 HE1 HIS 11 1HE HIS 11 0.368 -8.505 -4.376
71 H CYS 12 H CYS 12 2.308 -4.259 1.206
72 HA CYS 12 HA CYS 12 3.610 -2.303 -0.395
73 HB2 CYS 12 1HB CYS 12 3.683 -2.414 2.045
74 HB3 CYS 12 2HB CYS 12 4.565 -3.948 1.970
75 H ARG 13 H ARG 13 5.185 -2.318 -1.813
76 HA ARG 13 HA ARG 13 6.056 -4.774 -3.118
77 HB2 ARG 13 1HB ARG 13 5.678 -2.633 -4.317
78 HB3 ARG 13 2HB ARG 13 6.967 -1.870 -3.391
79 HG2 ARG 13 1HG ARG 13 7.711 -2.409 -5.640
80 HG3 ARG 13 2HG ARG 13 8.646 -3.325 -4.458
81 HD2 ARG 13 1HD ARG 13 7.278 -5.339 -4.921
82 HD3 ARG 13 2HD ARG 13 6.281 -4.403 -6.057
83 HE ARG 13 HE ARG 13 9.013 -4.183 -6.841
84 HH11 ARG 13 2HH1 ARG 13 6.519 -6.647 -6.804
85 HH12 ARG 13 1HH1 ARG 13 7.234 -7.516 -8.135
86 HH21 ARG 13 2HH2 ARG 13 9.865 -5.339 -8.537
87 HH22 ARG 13 1HH2 ARG 13 9.076 -6.788 -9.085
88 H PHE 14 H PHE 14 7.346 -2.780 -0.558
89 HA PHE 14 HA PHE 14 10.078 -3.893 -0.885
90 HB2 PHE 14 1HB PHE 14 9.081 -1.675 0.905
91 HB3 PHE 14 2HB PHE 14 10.754 -2.067 0.555
92 HD1 PHE 14 2HD PHE 14 11.713 -1.608 -1.718
93 HD2 PHE 14 1HD PHE 14 7.716 -0.382 -0.651
94 HE1 PHE 14 2HE PHE 14 11.654 -0.077 -3.676
95 HE2 PHE 14 1HE PHE 14 7.661 1.144 -2.608
96 HZ PHE 14 HZ PHE 14 9.627 1.292 -4.127
97 H CYS 15 H CYS 15 7.443 -3.906 1.516
98 HA CYS 15 HA CYS 15 8.947 -5.968 3.044
99 HB2 CYS 15 1HB CYS 15 8.537 -4.962 5.121
100 HB3 CYS 15 2HB CYS 15 9.305 -3.778 4.079
101 H LYS 16 H LYS 16 6.308 -5.661 1.288
102 HA LYS 16 HA LYS 16 4.445 -6.893 0.951
103 HB2 LYS 16 1HB LYS 16 6.240 -8.864 2.368
104 HB3 LYS 16 2HB LYS 16 4.676 -9.332 1.732
105 HG2 LYS 16 1HG LYS 16 6.304 -9.911 0.131
106 HG3 LYS 16 2HG LYS 16 5.299 -8.625 -0.532
107 HD2 LYS 16 1HD LYS 16 7.092 -6.997 -0.247
108 HD3 LYS 16 2HD LYS 16 8.074 -8.174 0.661
109 HE2 LYS 16 1HE LYS 16 8.166 -9.625 -1.348
110 HE3 LYS 16 2HE LYS 16 7.164 -8.474 -2.239
111 HZ1 LYS 16 3HZ LYS 16 9.541 -8.184 -2.707
112 HZ2 LYS 16 1HZ LYS 16 9.856 -7.856 -1.140
113 HZ3 LYS 16 2HZ LYS 16 8.930 -6.829 -2.030
114 H LYS 17 H LYS 17 4.467 -5.411 3.702
115 HA LYS 17 HA LYS 17 2.353 -6.713 5.189
116 HB2 LYS 17 1HB LYS 17 3.152 -3.781 5.052
117 HB3 LYS 17 2HB LYS 17 2.018 -4.493 6.216
118 HG2 LYS 17 1HG LYS 17 3.781 -5.858 7.203
119 HG3 LYS 17 2HG LYS 17 4.916 -5.392 5.927
120 HD2 LYS 17 1HD LYS 17 4.734 -2.998 6.692
121 HD3 LYS 17 2HD LYS 17 3.725 -3.544 8.035
122 HE2 LYS 17 1HE LYS 17 6.037 -3.215 8.754
123 HE3 LYS 17 2HE LYS 17 5.575 -4.912 8.912
124 HZ1 LYS 17 3HZ LYS 17 7.811 -4.510 7.866
125 HZ2 LYS 17 1HZ LYS 17 7.055 -3.873 6.546
126 HZ3 LYS 17 2HZ LYS 17 6.818 -5.428 6.947
127 H LYS 18 H LYS 18 0.181 -6.234 5.289
128 HA LYS 18 HA LYS 18 -1.085 -5.541 2.694
129 HB2 LYS 18 1HB LYS 18 -2.013 -6.936 5.217
130 HB3 LYS 18 2HB LYS 18 -3.101 -6.563 3.862
131 HG2 LYS 18 1HG LYS 18 -1.635 -7.864 2.324
132 HG3 LYS 18 2HG LYS 18 -0.607 -8.322 3.686
133 HD2 LYS 18 1HD LYS 18 -3.568 -9.004 3.404
134 HD3 LYS 18 2HD LYS 18 -2.220 -10.090 3.031
135 HE2 LYS 18 1HE LYS 18 -1.444 -9.932 5.398
136 HE3 LYS 18 2HE LYS 18 -2.832 -8.902 5.776
137 HZ1 LYS 18 3HZ LYS 18 -4.291 -10.754 5.146
138 HZ2 LYS 18 1HZ LYS 18 -3.278 -11.220 6.335
139 HZ3 LYS 18 2HZ LYS 18 -3.008 -11.706 4.802
140 H TYR 19 H TYR 19 -2.628 -4.050 2.383
141 HA TYR 19 HA TYR 19 -3.396 -2.174 4.569
142 HB2 TYR 19 1HB TYR 19 -2.007 -1.531 1.955
143 HB3 TYR 19 2HB TYR 19 -3.051 -0.354 2.739
144 HD1 TYR 19 1HD TYR 19 -2.524 0.636 4.891
145 HD2 TYR 19 2HD TYR 19 0.167 -2.169 3.024
146 HE1 TYR 19 1HE TYR 19 -0.760 1.234 6.544
147 HE2 TYR 19 2HE TYR 19 1.930 -1.576 4.681
148 HH TYR 19 HH TYR 19 2.432 -0.385 6.569
149 H SER 20 H SER 20 -5.450 -1.562 4.558
150 HA SER 20 HA SER 20 -7.311 -2.730 2.697
151 HB2 SER 20 1HB SER 20 -7.702 -0.765 4.973
152 HB3 SER 20 2HB SER 20 -9.019 -1.550 4.084
153 HG SER 20 HG SER 20 -8.134 -2.554 6.142
154 H ASP 21 H ASP 21 -5.574 0.188 2.432
155 HA ASP 21 HA ASP 21 -7.233 1.018 0.150
156 HB2 ASP 21 1HB ASP 21 -8.138 2.223 2.180
157 HB3 ASP 21 2HB ASP 21 -6.558 2.980 2.382
158 H VAL 22 H VAL 22 -6.061 2.016 -1.460
159 HA VAL 22 HA VAL 22 -3.252 1.583 -1.543
160 HB VAL 22 HB VAL 22 -4.801 1.643 -3.470
161 HG11 VAL 22 1HG1 VAL 22 -5.386 3.659 -4.627
162 HG12 VAL 22 2HG1 VAL 22 -6.020 3.761 -2.979
163 HG13 VAL 22 3HG1 VAL 22 -4.555 4.664 -3.432
164 HG21 VAL 22 3HG2 VAL 22 -3.209 2.501 -5.079
165 HG22 VAL 22 1HG2 VAL 22 -2.387 3.444 -3.822
166 HG23 VAL 22 2HG2 VAL 22 -2.350 1.669 -3.773
167 H LYS 23 H LYS 23 -5.063 4.523 -0.615
168 HA LYS 23 HA LYS 23 -2.730 6.206 -0.949
169 HB2 LYS 23 1HB LYS 23 -5.285 6.723 0.644
170 HB3 LYS 23 2HB LYS 23 -4.083 7.937 0.242
171 HG2 LYS 23 1HG LYS 23 -5.852 6.417 -1.723
172 HG3 LYS 23 2HG LYS 23 -6.042 8.087 -1.227
173 HD2 LYS 23 1HD LYS 23 -3.748 6.933 -2.866
174 HD3 LYS 23 2HD LYS 23 -5.059 7.922 -3.473
175 HE2 LYS 23 1HE LYS 23 -2.969 8.858 -1.451
176 HE3 LYS 23 2HE LYS 23 -2.889 9.137 -3.189
177 HZ1 LYS 23 3HZ LYS 23 -5.046 10.167 -1.421
178 HZ2 LYS 23 1HZ LYS 23 -4.968 10.395 -3.038
179 HZ3 LYS 23 2HZ LYS 23 -3.838 11.053 -2.067
180 H ASN 24 H ASN 24 -4.097 4.392 1.735
181 HA ASN 24 HA ASN 24 -2.297 5.363 3.780
182 HB2 ASN 24 1HB ASN 24 -4.529 4.164 4.090
183 HB3 ASN 24 2HB ASN 24 -3.716 2.666 3.632
184 HD21 ASN 24 2HD2 ASN 24 -4.743 2.277 5.912
185 HD22 ASN 24 1HD2 ASN 24 -3.654 2.583 7.256
186 H LEU 25 H LEU 25 -2.138 2.625 1.440
187 HA LEU 25 HA LEU 25 0.434 1.697 2.286
188 HB2 LEU 25 1HB LEU 25 -0.987 0.308 0.918
189 HB3 LEU 25 2HB LEU 25 -1.008 1.500 -0.379
190 HG LEU 25 HG LEU 25 1.388 1.161 -0.797
191 HD11 LEU 25 1HD1 LEU 25 2.060 0.454 1.552
192 HD12 LEU 25 2HD1 LEU 25 2.687 -0.544 0.259
193 HD13 LEU 25 3HD1 LEU 25 1.306 -1.119 1.222
194 HD21 LEU 25 3HD2 LEU 25 -0.267 -0.224 -1.976
195 HD22 LEU 25 1HD2 LEU 25 -0.134 -1.461 -0.700
196 HD23 LEU 25 2HD2 LEU 25 1.264 -1.080 -1.730
197 H ILE 26 H ILE 26 -0.440 4.173 -0.209
198 HA ILE 26 HA ILE 26 2.251 4.736 -0.986
199 HB ILE 26 HB ILE 26 -0.283 6.394 -1.072
200 HG12 ILE 26 1HG1 ILE 26 1.368 5.139 -3.319
201 HG13 ILE 26 2HG1 ILE 26 0.063 4.278 -2.521
202 HG21 ILE 26 1HG2 ILE 26 0.923 7.964 -2.592
203 HG22 ILE 26 2HG2 ILE 26 1.592 8.004 -0.973
204 HG23 ILE 26 3HG2 ILE 26 2.441 7.111 -2.256
205 HD11 ILE 26 3HD1 ILE 26 -0.769 5.216 -4.577
206 HD12 ILE 26 1HD1 ILE 26 -1.546 6.044 -3.214
207 HD13 ILE 26 2HD1 ILE 26 -0.244 6.844 -4.129
208 H LYS 27 H LYS 27 0.292 6.201 1.653
209 HA LYS 27 HA LYS 27 2.353 7.934 2.657
210 HB2 LYS 27 1HB LYS 27 -0.027 6.588 3.995
211 HB3 LYS 27 2HB LYS 27 1.058 7.694 4.846
212 HG2 LYS 27 1HG LYS 27 0.553 9.502 3.283
213 HG3 LYS 27 2HG LYS 27 -0.483 8.439 2.321
214 HD2 LYS 27 1HD LYS 27 -1.993 8.132 4.267
215 HD3 LYS 27 2HD LYS 27 -0.949 9.193 5.241
216 HE2 LYS 27 1HE LYS 27 -1.344 11.044 3.616
217 HE3 LYS 27 2HE LYS 27 -2.412 9.989 2.682
218 HZ1 LYS 27 3HZ LYS 27 -3.869 9.850 4.638
219 HZ2 LYS 27 1HZ LYS 27 -3.672 11.408 4.200
220 HZ3 LYS 27 2HZ LYS 27 -2.878 10.825 5.498
221 H HIS 28 H HIS 28 1.657 4.503 3.514
222 HA HIS 28 HA HIS 28 3.809 4.170 5.352
223 HB2 HIS 28 1HB HIS 28 2.182 2.463 5.235
224 HB3 HIS 28 2HB HIS 28 2.341 2.274 3.500
225 HD1 HIS 28 1HD HIS 28 4.277 1.371 6.699
226 HD2 HIS 28 2HD HIS 28 4.192 0.631 2.565
227 HE1 HIS 28 1HE HIS 28 5.923 -0.521 6.301
228 H ILE 29 H ILE 29 3.824 3.720 1.766
229 HA ILE 29 HA ILE 29 6.560 2.948 1.602
230 HB ILE 29 HB ILE 29 4.716 4.233 -0.435
231 HG12 ILE 29 1HG1 ILE 29 5.787 1.374 -0.303
232 HG13 ILE 29 2HG1 ILE 29 4.284 1.844 0.469
233 HG21 ILE 29 1HG2 ILE 29 6.389 3.536 -2.167
234 HG22 ILE 29 2HG2 ILE 29 7.034 4.771 -1.104
235 HG23 ILE 29 3HG2 ILE 29 7.510 3.076 -0.873
236 HD11 ILE 29 3HD1 ILE 29 3.377 2.594 -1.732
237 HD12 ILE 29 1HD1 ILE 29 4.847 1.968 -2.516
238 HD13 ILE 29 2HD1 ILE 29 3.766 0.863 -1.661
239 H ARG 30 H ARG 30 5.141 6.257 1.306
240 HA ARG 30 HA ARG 30 7.743 7.525 0.986
241 HB2 ARG 30 1HB ARG 30 4.915 8.481 1.516
242 HB3 ARG 30 2HB ARG 30 6.259 9.586 1.762
243 HG2 ARG 30 1HG ARG 30 5.381 9.908 -0.450
244 HG3 ARG 30 2HG ARG 30 7.032 9.290 -0.535
245 HD2 ARG 30 1HD ARG 30 6.158 7.030 -1.054
246 HD3 ARG 30 2HD ARG 30 4.498 7.664 -0.961
247 HE ARG 30 HE ARG 30 5.887 9.261 -2.816
248 HH11 ARG 30 2HH1 ARG 30 4.881 5.913 -2.646
249 HH12 ARG 30 1HH1 ARG 30 4.794 5.755 -4.380
250 HH21 ARG 30 2HH2 ARG 30 5.751 8.993 -5.018
251 HH22 ARG 30 1HH2 ARG 30 5.269 7.461 -5.681
252 H ASP 31 H ASP 31 5.993 6.585 3.888
253 HA ASP 31 HA ASP 31 7.757 8.161 5.617
254 HB2 ASP 31 1HB ASP 31 5.356 7.723 6.096
255 HB3 ASP 31 2HB ASP 31 5.733 6.012 6.319
256 H MET 32 H MET 32 7.591 4.738 4.612
257 HA MET 32 HA MET 32 9.807 4.045 6.480
258 HB2 MET 32 1HB MET 32 7.809 2.323 4.972
259 HB3 MET 32 2HB MET 32 9.062 1.708 6.038
260 HG2 MET 32 1HG MET 32 6.796 3.557 6.865
261 HG3 MET 32 2HG MET 32 6.872 1.827 7.153
262 HE1 MET 32 3HE MET 32 9.900 1.295 8.149
263 HE2 MET 32 1HE MET 32 9.620 1.435 9.895
264 HE3 MET 32 2HE MET 32 8.420 0.618 8.871
265 H HIS 33 H HIS 33 9.263 4.233 2.999
266 HA HIS 33 HA HIS 33 11.856 2.789 2.529
267 HB2 HIS 33 1HB HIS 33 9.368 2.695 0.801
268 HB3 HIS 33 2HB HIS 33 10.845 1.761 0.595
269 HD1 HIS 33 1HD HIS 33 11.229 0.482 3.427
270 HD2 HIS 33 2HD HIS 33 7.537 1.016 1.509
271 HE1 HIS 33 1HE HIS 33 9.652 -1.196 4.491
272 H ASP 34 H ASP 34 9.690 5.311 1.308
273 HA ASP 34 HA ASP 34 9.934 7.003 -0.173
274 HB2 ASP 34 1HB ASP 34 10.762 7.769 2.001
275 HB3 ASP 34 2HB ASP 34 12.408 7.389 1.517
276 HA PRO 35 HA PRO 35 13.003 4.980 -3.089
277 HB2 PRO 35 1HB PRO 35 11.287 4.404 -5.150
278 HB3 PRO 35 2HB PRO 35 11.533 3.329 -3.740
279 HG2 PRO 35 1HG PRO 35 9.329 5.384 -4.145
280 HG3 PRO 35 2HG PRO 35 9.161 3.670 -3.649
281 HD2 PRO 35 1HD PRO 35 9.187 5.670 -1.821
282 HD3 PRO 35 2HD PRO 35 10.009 4.115 -1.486
283 H GLN 36 H GLN 36 14.092 6.094 -4.624
284 HA GLN 36 HA GLN 36 12.925 8.601 -5.760
285 HB2 GLN 36 1HB GLN 36 14.921 9.813 -5.168
286 HB3 GLN 36 2HB GLN 36 14.194 9.104 -3.728
287 HG2 GLN 36 1HG GLN 36 15.889 7.287 -3.749
288 HG3 GLN 36 2HG GLN 36 16.601 7.953 -5.220
289 HE21 GLN 36 1HE2 GLN 36 18.453 7.690 -3.410
290 HE22 GLN 36 2HE2 GLN 36 18.786 9.197 -2.563
291 H ASP 37 H ASP 37 14.168 5.731 -6.719
292 HA ASP 37 HA ASP 37 15.067 6.749 -9.338
293 HB2 ASP 37 1HB ASP 37 17.135 6.656 -7.997
294 HB3 ASP 37 2HB ASP 37 16.807 4.979 -7.577
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -10.082 -15.831 -14.413
2 H2 GLY 1 2H GLY 1 -8.583 -15.340 -13.965
3 H3 GLY 1 3H GLY 1 -9.315 -14.656 -15.260
4 HA2 GLY 1 1HA GLY 1 -11.017 -13.678 -13.873
5 HA3 GLY 1 2HA GLY 1 -10.246 -14.437 -12.469
6 H SER 2 H SER 2 -10.743 -11.568 -13.108
7 HA SER 2 HA SER 2 -8.063 -10.403 -13.518
8 HB2 SER 2 1HB SER 2 -9.336 -8.286 -13.728
9 HB3 SER 2 2HB SER 2 -9.862 -9.544 -14.857
10 HG SER 2 HG SER 2 -11.636 -8.488 -13.826
11 H SER 3 H SER 3 -9.384 -11.586 -10.830
12 HA SER 3 HA SER 3 -8.362 -9.453 -9.001
13 HB2 SER 3 1HB SER 3 -10.139 -10.090 -7.441
14 HB3 SER 3 2HB SER 3 -10.805 -9.542 -8.985
15 HG SER 3 HG SER 3 -11.821 -11.465 -8.240
16 H GLY 4 H GLY 4 -8.046 -10.466 -6.692
17 HA2 GLY 4 1HA GLY 4 -6.945 -11.924 -5.284
18 HA3 GLY 4 2HA GLY 4 -7.355 -13.229 -6.395
19 H SER 5 H SER 5 -5.773 -14.084 -7.663
20 HA SER 5 HA SER 5 -2.984 -13.358 -7.377
21 HB2 SER 5 1HB SER 5 -4.328 -15.170 -9.418
22 HB3 SER 5 2HB SER 5 -2.596 -15.113 -9.036
23 HG SER 5 HG SER 5 -3.676 -16.816 -7.928
24 H SER 6 H SER 6 -5.460 -12.077 -9.363
25 HA SER 6 HA SER 6 -3.485 -10.706 -11.147
26 HB2 SER 6 1HB SER 6 -5.016 -12.385 -12.276
27 HB3 SER 6 2HB SER 6 -6.372 -11.351 -11.805
28 HG SER 6 HG SER 6 -4.271 -10.875 -13.643
29 H GLY 7 H GLY 7 -4.376 -8.596 -11.988
30 HA2 GLY 7 1HA GLY 7 -5.251 -6.471 -11.687
31 HA3 GLY 7 2HA GLY 7 -6.258 -7.079 -10.381
32 H ILE 8 H ILE 8 -5.670 -4.840 -9.650
33 HA ILE 8 HA ILE 8 -3.017 -4.290 -8.653
34 HB ILE 8 HB ILE 8 -4.403 -2.551 -9.477
35 HG12 ILE 8 1HG1 ILE 8 -2.720 -2.170 -7.559
36 HG13 ILE 8 2HG1 ILE 8 -3.781 -0.884 -8.093
37 HG21 ILE 8 1HG2 ILE 8 -6.384 -1.661 -8.299
38 HG22 ILE 8 2HG2 ILE 8 -6.651 -3.275 -8.955
39 HG23 ILE 8 3HG2 ILE 8 -6.370 -3.069 -7.217
40 HD11 ILE 8 3HD1 ILE 8 -4.351 -2.541 -5.605
41 HD12 ILE 8 1HD1 ILE 8 -3.513 -0.981 -5.625
42 HD13 ILE 8 2HD1 ILE 8 -5.198 -1.081 -6.150
43 H LYS 9 H LYS 9 -2.152 -4.442 -6.670
44 HA LYS 9 HA LYS 9 -3.665 -5.939 -4.577
45 HB2 LYS 9 1HB LYS 9 -1.618 -6.896 -3.843
46 HB3 LYS 9 2HB LYS 9 -1.730 -7.114 -5.586
47 HG2 LYS 9 1HG LYS 9 -0.176 -5.136 -5.876
48 HG3 LYS 9 2HG LYS 9 -0.007 -5.063 -4.112
49 HD2 LYS 9 1HD LYS 9 0.898 -7.401 -4.121
50 HD3 LYS 9 2HD LYS 9 0.710 -7.437 -5.876
51 HE2 LYS 9 1HE LYS 9 2.971 -6.936 -5.601
52 HE3 LYS 9 2HE LYS 9 2.231 -5.381 -5.982
53 HZ1 LYS 9 3HZ LYS 9 3.035 -6.329 -3.274
54 HZ2 LYS 9 1HZ LYS 9 2.263 -4.910 -3.530
55 HZ3 LYS 9 2HZ LYS 9 3.759 -5.159 -4.133
56 H GLN 10 H GLN 10 -3.600 -5.372 -2.455
57 HA GLN 10 HA GLN 10 -2.635 -2.636 -1.802
58 HB2 GLN 10 1HB GLN 10 -4.716 -4.273 -0.322
59 HB3 GLN 10 2HB GLN 10 -4.185 -2.627 0.023
60 HG2 GLN 10 1HG GLN 10 -6.181 -2.293 -1.116
61 HG3 GLN 10 2HG GLN 10 -4.938 -1.956 -2.306
62 HE21 GLN 10 1HE2 GLN 10 -6.787 -2.287 -3.874
63 HE22 GLN 10 2HE2 GLN 10 -7.143 -3.942 -4.346
64 H HIS 11 H HIS 11 -0.891 -4.947 -1.966
65 HA HIS 11 HA HIS 11 0.200 -5.064 0.805
66 HB2 HIS 11 1HB HIS 11 0.718 -6.886 -1.570
67 HB3 HIS 11 2HB HIS 11 1.523 -6.986 -0.009
68 HD1 HIS 11 1HD HIS 11 -1.758 -7.950 -1.687
69 HD2 HIS 11 2HD HIS 11 0.162 -8.040 2.054
70 HE1 HIS 11 1HE HIS 11 -3.111 -9.540 -0.231
71 H CYS 12 H CYS 12 2.256 -4.375 1.173
72 HA CYS 12 HA CYS 12 3.385 -2.323 -0.339
73 HB2 CYS 12 1HB CYS 12 3.582 -2.656 2.052
74 HB3 CYS 12 2HB CYS 12 4.546 -4.111 1.814
75 H ARG 13 H ARG 13 5.378 -2.061 -1.258
76 HA ARG 13 HA ARG 13 6.156 -4.109 -3.270
77 HB2 ARG 13 1HB ARG 13 5.642 -1.799 -3.944
78 HB3 ARG 13 2HB ARG 13 6.895 -1.175 -2.876
79 HG2 ARG 13 1HG ARG 13 8.642 -2.278 -4.218
80 HG3 ARG 13 2HG ARG 13 7.414 -3.005 -5.269
81 HD2 ARG 13 1HD ARG 13 7.859 -0.013 -4.879
82 HD3 ARG 13 2HD ARG 13 8.549 -0.968 -6.202
83 HE ARG 13 HE ARG 13 5.797 -1.447 -6.309
84 HH11 ARG 13 2HH1 ARG 13 7.836 1.374 -6.694
85 HH12 ARG 13 1HH1 ARG 13 6.697 2.169 -7.746
86 HH21 ARG 13 2HH2 ARG 13 4.385 -0.376 -7.657
87 HH22 ARG 13 1HH2 ARG 13 4.801 1.194 -8.277
88 H PHE 14 H PHE 14 7.343 -2.805 -0.274
89 HA PHE 14 HA PHE 14 10.073 -3.953 -0.776
90 HB2 PHE 14 1HB PHE 14 9.247 -1.636 0.976
91 HB3 PHE 14 2HB PHE 14 10.890 -2.185 0.693
92 HD1 PHE 14 2HD PHE 14 11.920 -1.953 -1.609
93 HD2 PHE 14 1HD PHE 14 8.127 -0.170 -0.593
94 HE1 PHE 14 2HE PHE 14 12.108 -0.429 -3.563
95 HE2 PHE 14 1HE PHE 14 8.323 1.357 -2.542
96 HZ PHE 14 HZ PHE 14 10.317 1.232 -4.026
97 H CYS 15 H CYS 15 7.423 -3.974 1.561
98 HA CYS 15 HA CYS 15 8.907 -6.057 3.088
99 HB2 CYS 15 1HB CYS 15 8.175 -5.205 5.187
100 HB3 CYS 15 2HB CYS 15 9.054 -3.951 4.319
101 H LYS 16 H LYS 16 6.356 -5.617 1.173
102 HA LYS 16 HA LYS 16 4.405 -6.630 0.688
103 HB2 LYS 16 1HB LYS 16 5.748 -8.990 2.034
104 HB3 LYS 16 2HB LYS 16 4.385 -9.073 0.911
105 HG2 LYS 16 1HG LYS 16 5.764 -8.032 -0.870
106 HG3 LYS 16 2HG LYS 16 7.156 -7.987 0.232
107 HD2 LYS 16 1HD LYS 16 7.075 -10.449 0.453
108 HD3 LYS 16 2HD LYS 16 5.692 -10.505 -0.666
109 HE2 LYS 16 1HE LYS 16 7.088 -9.459 -2.436
110 HE3 LYS 16 2HE LYS 16 8.460 -9.394 -1.324
111 HZ1 LYS 16 3HZ LYS 16 7.142 -11.892 -2.253
112 HZ2 LYS 16 1HZ LYS 16 8.411 -11.830 -1.224
113 HZ3 LYS 16 2HZ LYS 16 8.588 -11.341 -2.769
114 H LYS 17 H LYS 17 4.573 -5.561 3.677
115 HA LYS 17 HA LYS 17 2.385 -6.854 5.021
116 HB2 LYS 17 1HB LYS 17 3.413 -3.990 5.221
117 HB3 LYS 17 2HB LYS 17 2.241 -4.740 6.316
118 HG2 LYS 17 1HG LYS 17 3.916 -6.444 6.978
119 HG3 LYS 17 2HG LYS 17 5.104 -5.712 5.883
120 HD2 LYS 17 1HD LYS 17 4.935 -3.570 7.165
121 HD3 LYS 17 2HD LYS 17 3.829 -4.372 8.307
122 HE2 LYS 17 1HE LYS 17 5.598 -6.068 8.790
123 HE3 LYS 17 2HE LYS 17 6.685 -5.247 7.662
124 HZ1 LYS 17 3HZ LYS 17 5.577 -4.035 10.142
125 HZ2 LYS 17 1HZ LYS 17 6.592 -3.284 9.100
126 HZ3 LYS 17 2HZ LYS 17 7.106 -4.572 9.959
127 H LYS 18 H LYS 18 0.234 -6.217 5.277
128 HA LYS 18 HA LYS 18 -0.988 -5.168 2.786
129 HB2 LYS 18 1HB LYS 18 -1.511 -7.448 3.831
130 HB3 LYS 18 2HB LYS 18 -2.360 -6.567 5.101
131 HG2 LYS 18 1HG LYS 18 -3.835 -5.529 3.348
132 HG3 LYS 18 2HG LYS 18 -2.951 -6.429 2.099
133 HD2 LYS 18 1HD LYS 18 -3.672 -8.568 3.193
134 HD3 LYS 18 2HD LYS 18 -4.586 -7.623 4.388
135 HE2 LYS 18 1HE LYS 18 -5.928 -6.613 2.551
136 HE3 LYS 18 2HE LYS 18 -5.017 -7.558 1.366
137 HZ1 LYS 18 3HZ LYS 18 -5.878 -9.585 2.423
138 HZ2 LYS 18 1HZ LYS 18 -7.116 -8.643 1.931
139 HZ3 LYS 18 2HZ LYS 18 -6.724 -8.708 3.513
140 H TYR 19 H TYR 19 -2.392 -3.521 2.657
141 HA TYR 19 HA TYR 19 -3.260 -2.073 5.123
142 HB2 TYR 19 1HB TYR 19 -2.058 -0.937 2.596
143 HB3 TYR 19 2HB TYR 19 -3.223 -0.005 3.517
144 HD1 TYR 19 2HD TYR 19 0.122 -1.679 3.770
145 HD2 TYR 19 1HD TYR 19 -2.678 1.069 5.570
146 HE1 TYR 19 2HE TYR 19 1.846 -1.005 5.433
147 HE2 TYR 19 1HE TYR 19 -0.946 1.753 7.217
148 HH TYR 19 HH TYR 19 1.171 1.418 7.997
149 H SER 20 H SER 20 -5.294 -0.959 4.931
150 HA SER 20 HA SER 20 -7.264 -2.495 3.408
151 HB2 SER 20 1HB SER 20 -8.879 -1.113 4.705
152 HB3 SER 20 2HB SER 20 -7.710 -1.985 5.710
153 HG SER 20 HG SER 20 -7.965 0.214 6.362
154 H ASP 21 H ASP 21 -5.505 0.333 2.727
155 HA ASP 21 HA ASP 21 -7.278 1.127 0.495
156 HB2 ASP 21 1HB ASP 21 -8.199 2.501 2.183
157 HB3 ASP 21 2HB ASP 21 -6.637 2.777 2.950
158 H VAL 22 H VAL 22 -6.223 2.084 -1.193
159 HA VAL 22 HA VAL 22 -3.441 1.532 -1.501
160 HB VAL 22 HB VAL 22 -5.158 1.559 -3.287
161 HG11 VAL 22 1HG1 VAL 22 -4.821 4.575 -3.396
162 HG12 VAL 22 2HG1 VAL 22 -5.777 3.551 -4.477
163 HG13 VAL 22 3HG1 VAL 22 -6.267 3.736 -2.789
164 HG21 VAL 22 3HG2 VAL 22 -3.694 2.293 -5.068
165 HG22 VAL 22 1HG2 VAL 22 -2.729 3.255 -3.933
166 HG23 VAL 22 2HG2 VAL 22 -2.749 1.483 -3.807
167 H LYS 23 H LYS 23 -5.102 4.509 -0.546
168 HA LYS 23 HA LYS 23 -2.872 6.220 -1.204
169 HB2 LYS 23 1HB LYS 23 -5.075 6.973 0.742
170 HB3 LYS 23 2HB LYS 23 -4.166 8.021 -0.338
171 HG2 LYS 23 1HG LYS 23 -5.354 7.058 -2.295
172 HG3 LYS 23 2HG LYS 23 -6.203 5.931 -1.236
173 HD2 LYS 23 1HD LYS 23 -7.026 8.093 0.028
174 HD3 LYS 23 2HD LYS 23 -6.563 8.906 -1.474
175 HE2 LYS 23 1HE LYS 23 -8.846 8.376 -1.781
176 HE3 LYS 23 2HE LYS 23 -7.984 7.136 -2.695
177 HZ1 LYS 23 3HZ LYS 23 -9.167 6.821 0.015
178 HZ2 LYS 23 1HZ LYS 23 -8.275 5.652 -0.686
179 HZ3 LYS 23 2HZ LYS 23 -9.701 6.111 -1.351
180 H ASN 24 H ASN 24 -4.154 4.753 1.729
181 HA ASN 24 HA ASN 24 -2.100 5.593 3.574
182 HB2 ASN 24 1HB ASN 24 -4.120 3.316 3.524
183 HB3 ASN 24 2HB ASN 24 -2.930 3.482 4.813
184 HD21 ASN 24 1HD2 ASN 24 -5.643 5.242 3.220
185 HD22 ASN 24 2HD2 ASN 24 -5.988 6.204 4.660
186 H LEU 25 H LEU 25 -2.294 2.743 1.360
187 HA LEU 25 HA LEU 25 0.189 1.605 2.192
188 HB2 LEU 25 1HB LEU 25 -1.539 0.446 0.815
189 HB3 LEU 25 2HB LEU 25 -1.162 1.512 -0.534
190 HG LEU 25 HG LEU 25 1.193 0.620 -0.554
191 HD11 LEU 25 1HD1 LEU 25 1.641 -1.487 0.628
192 HD12 LEU 25 2HD1 LEU 25 0.063 -1.411 1.426
193 HD13 LEU 25 3HD1 LEU 25 1.329 -0.208 1.789
194 HD21 LEU 25 3HD2 LEU 25 -0.530 -0.256 -2.065
195 HD22 LEU 25 1HD2 LEU 25 -1.027 -1.425 -0.823
196 HD23 LEU 25 2HD2 LEU 25 0.590 -1.534 -1.564
197 H ILE 26 H ILE 26 -0.507 4.025 -0.385
198 HA ILE 26 HA ILE 26 2.226 4.395 -1.187
199 HB ILE 26 HB ILE 26 -0.232 6.159 -1.374
200 HG12 ILE 26 1HG1 ILE 26 1.371 4.728 -3.547
201 HG13 ILE 26 2HG1 ILE 26 0.027 3.964 -2.717
202 HG21 ILE 26 1HG2 ILE 26 2.545 6.703 -2.529
203 HG22 ILE 26 2HG2 ILE 26 1.068 7.593 -2.959
204 HG23 ILE 26 3HG2 ILE 26 1.692 7.693 -1.322
205 HD11 ILE 26 3HD1 ILE 26 -1.498 5.780 -3.492
206 HD12 ILE 26 1HD1 ILE 26 -0.156 6.453 -4.452
207 HD13 ILE 26 2HD1 ILE 26 -0.771 4.833 -4.804
208 H LYS 27 H LYS 27 0.290 6.093 1.345
209 HA LYS 27 HA LYS 27 2.418 7.772 2.238
210 HB2 LYS 27 1HB LYS 27 -0.010 8.028 2.787
211 HB3 LYS 27 2HB LYS 27 0.098 6.625 3.859
212 HG2 LYS 27 1HG LYS 27 1.746 7.818 5.274
213 HG3 LYS 27 2HG LYS 27 1.703 9.201 4.160
214 HD2 LYS 27 1HD LYS 27 -0.709 9.539 4.676
215 HD3 LYS 27 2HD LYS 27 -0.686 8.112 5.717
216 HE2 LYS 27 1HE LYS 27 -0.566 10.012 7.148
217 HE3 LYS 27 2HE LYS 27 1.008 9.217 7.185
218 HZ1 LYS 27 3HZ LYS 27 0.354 11.638 5.581
219 HZ2 LYS 27 1HZ LYS 27 1.826 10.926 5.644
220 HZ3 LYS 27 2HZ LYS 27 1.204 11.637 6.971
221 H HIS 28 H HIS 28 1.613 4.422 3.268
222 HA HIS 28 HA HIS 28 3.712 4.105 5.175
223 HB2 HIS 28 1HB HIS 28 2.035 2.446 5.058
224 HB3 HIS 28 2HB HIS 28 2.237 2.196 3.340
225 HD1 HIS 28 1HD HIS 28 3.680 1.030 6.628
226 HD2 HIS 28 2HD HIS 28 4.256 0.632 2.493
227 HE1 HIS 28 1HE HIS 28 5.319 -0.889 6.345
228 H ILE 29 H ILE 29 3.795 3.678 1.592
229 HA ILE 29 HA ILE 29 6.584 2.981 1.495
230 HB ILE 29 HB ILE 29 4.693 4.096 -0.595
231 HG12 ILE 29 1HG1 ILE 29 5.904 1.306 -0.352
232 HG13 ILE 29 2HG1 ILE 29 4.379 1.730 0.407
233 HG21 ILE 29 1HG2 ILE 29 6.400 3.438 -2.286
234 HG22 ILE 29 2HG2 ILE 29 6.962 4.751 -1.267
235 HG23 ILE 29 3HG2 ILE 29 7.549 3.100 -0.976
236 HD11 ILE 29 3HD1 ILE 29 4.921 1.744 -2.580
237 HD12 ILE 29 1HD1 ILE 29 3.890 0.636 -1.657
238 HD13 ILE 29 2HD1 ILE 29 3.426 2.339 -1.814
239 H ARG 30 H ARG 30 4.978 6.202 1.323
240 HA ARG 30 HA ARG 30 7.477 7.663 1.073
241 HB2 ARG 30 1HB ARG 30 4.844 8.668 2.233
242 HB3 ARG 30 2HB ARG 30 6.196 9.644 1.688
243 HG2 ARG 30 1HG ARG 30 4.180 8.156 0.028
244 HG3 ARG 30 2HG ARG 30 4.615 9.847 -0.007
245 HD2 ARG 30 1HD ARG 30 6.291 7.517 -1.014
246 HD3 ARG 30 2HD ARG 30 5.403 8.660 -2.006
247 HE ARG 30 HE ARG 30 8.002 9.095 -0.660
248 HH11 ARG 30 2HH1 ARG 30 5.386 10.823 -2.266
249 HH12 ARG 30 1HH1 ARG 30 6.410 12.207 -2.539
250 HH21 ARG 30 2HH2 ARG 30 9.145 10.743 -1.002
251 HH22 ARG 30 1HH2 ARG 30 8.548 12.185 -1.832
252 H ASP 31 H ASP 31 5.896 6.339 3.895
253 HA ASP 31 HA ASP 31 7.557 7.920 5.738
254 HB2 ASP 31 1HB ASP 31 5.152 7.410 6.129
255 HB3 ASP 31 2HB ASP 31 5.564 5.700 6.291
256 H MET 32 H MET 32 7.462 4.544 4.605
257 HA MET 32 HA MET 32 9.730 3.826 6.410
258 HB2 MET 32 1HB MET 32 7.683 2.120 4.942
259 HB3 MET 32 2HB MET 32 8.963 1.499 5.968
260 HG2 MET 32 1HG MET 32 6.705 3.319 6.871
261 HG3 MET 32 2HG MET 32 6.789 1.584 7.121
262 HE1 MET 32 3HE MET 32 9.852 1.054 8.050
263 HE2 MET 32 1HE MET 32 9.598 1.152 9.802
264 HE3 MET 32 2HE MET 32 8.388 0.349 8.780
265 H HIS 33 H HIS 33 9.042 4.129 2.965
266 HA HIS 33 HA HIS 33 11.606 2.737 2.310
267 HB2 HIS 33 1HB HIS 33 9.021 2.411 0.776
268 HB3 HIS 33 2HB HIS 33 10.518 1.505 0.578
269 HD1 HIS 33 1HD HIS 33 11.069 0.290 3.349
270 HD2 HIS 33 2HD HIS 33 7.236 0.865 1.743
271 HE1 HIS 33 1HE HIS 33 9.563 -1.367 4.550
272 H ASP 34 H ASP 34 10.909 5.661 2.400
273 HA ASP 34 HA ASP 34 10.346 6.677 -0.138
274 HB2 ASP 34 1HB ASP 34 10.201 7.818 2.084
275 HB3 ASP 34 2HB ASP 34 11.943 8.055 2.045
276 HA PRO 35 HA PRO 35 14.254 5.877 -2.167
277 HB2 PRO 35 1HB PRO 35 13.856 7.065 -4.601
278 HB3 PRO 35 2HB PRO 35 13.019 5.568 -4.084
279 HG2 PRO 35 1HG PRO 35 11.990 8.422 -3.927
280 HG3 PRO 35 2HG PRO 35 11.158 6.983 -4.603
281 HD2 PRO 35 1HD PRO 35 10.683 7.838 -2.075
282 HD3 PRO 35 2HD PRO 35 10.754 6.091 -2.450
283 H GLN 36 H GLN 36 16.192 6.874 -2.917
284 HA GLN 36 HA GLN 36 16.562 9.776 -2.573
285 HB2 GLN 36 1HB GLN 36 18.181 7.653 -1.094
286 HB3 GLN 36 2HB GLN 36 18.610 9.363 -1.225
287 HG2 GLN 36 1HG GLN 36 16.487 9.972 -0.056
288 HG3 GLN 36 2HG GLN 36 16.122 8.256 0.145
289 HE21 GLN 36 1HE2 GLN 36 16.095 9.422 2.472
290 HE22 GLN 36 2HE2 GLN 36 17.600 9.199 3.354
291 H ASP 37 H ASP 37 18.059 10.569 -3.881
292 HA ASP 37 HA ASP 37 19.921 8.888 -5.470
293 HB2 ASP 37 1HB ASP 37 17.857 9.019 -6.802
294 HB3 ASP 37 2HB ASP 37 17.864 10.774 -6.683
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -4.168 -24.582 0.397
2 H2 GLY 1 2H GLY 1 -5.618 -25.196 0.841
3 H3 GLY 1 3H GLY 1 -4.335 -25.311 1.855
4 HA2 GLY 1 1HA GLY 1 -5.824 -23.595 2.630
5 HA3 GLY 1 2HA GLY 1 -4.258 -22.924 2.139
6 H SER 2 H SER 2 -5.681 -20.947 2.066
7 HA SER 2 HA SER 2 -6.506 -20.413 -0.719
8 HB2 SER 2 1HB SER 2 -8.593 -21.168 0.340
9 HB3 SER 2 2HB SER 2 -8.379 -19.985 1.645
10 HG SER 2 HG SER 2 -9.798 -19.330 -0.124
11 H SER 3 H SER 3 -6.414 -18.252 -1.289
12 HA SER 3 HA SER 3 -4.883 -16.403 0.404
13 HB2 SER 3 1HB SER 3 -6.160 -15.990 -2.324
14 HB3 SER 3 2HB SER 3 -4.997 -14.910 -1.529
15 HG SER 3 HG SER 3 -3.991 -16.324 -3.046
16 H GLY 4 H GLY 4 -8.195 -17.149 0.149
17 HA2 GLY 4 1HA GLY 4 -10.021 -16.196 1.219
18 HA3 GLY 4 2HA GLY 4 -9.051 -14.810 1.704
19 H SER 5 H SER 5 -11.561 -14.348 0.958
20 HA SER 5 HA SER 5 -11.670 -13.540 -1.898
21 HB2 SER 5 1HB SER 5 -14.108 -13.507 -1.522
22 HB3 SER 5 2HB SER 5 -13.373 -15.075 -1.151
23 HG SER 5 HG SER 5 -14.855 -14.393 0.480
24 H SER 6 H SER 6 -10.899 -11.974 0.935
25 HA SER 6 HA SER 6 -12.566 -9.637 0.781
26 HB2 SER 6 1HB SER 6 -11.470 -10.444 2.843
27 HB3 SER 6 2HB SER 6 -9.895 -9.960 2.184
28 HG SER 6 HG SER 6 -10.996 -8.380 3.573
29 H GLY 7 H GLY 7 -12.081 -7.518 0.207
30 HA2 GLY 7 1HA GLY 7 -10.628 -7.226 -2.291
31 HA3 GLY 7 2HA GLY 7 -11.595 -6.005 -1.466
32 H ILE 8 H ILE 8 -9.320 -7.125 0.730
33 HA ILE 8 HA ILE 8 -7.865 -4.628 0.667
34 HB ILE 8 HB ILE 8 -6.857 -5.381 2.750
35 HG12 ILE 8 1HG1 ILE 8 -8.433 -7.981 2.414
36 HG13 ILE 8 2HG1 ILE 8 -6.695 -7.849 2.202
37 HG21 ILE 8 1HG2 ILE 8 -8.862 -5.259 4.055
38 HG22 ILE 8 2HG2 ILE 8 -9.176 -4.343 2.581
39 HG23 ILE 8 3HG2 ILE 8 -9.848 -5.969 2.760
40 HD11 ILE 8 3HD1 ILE 8 -6.470 -7.075 4.568
41 HD12 ILE 8 1HD1 ILE 8 -8.214 -7.366 4.791
42 HD13 ILE 8 2HD1 ILE 8 -7.134 -8.713 4.402
43 H LYS 9 H LYS 9 -7.257 -5.804 -1.685
44 HA LYS 9 HA LYS 9 -4.814 -7.377 -1.588
45 HB2 LYS 9 1HB LYS 9 -4.962 -7.404 -4.027
46 HB3 LYS 9 2HB LYS 9 -6.448 -7.862 -3.235
47 HG2 LYS 9 1HG LYS 9 -7.041 -6.573 -5.124
48 HG3 LYS 9 2HG LYS 9 -7.432 -5.631 -3.707
49 HD2 LYS 9 1HD LYS 9 -6.530 -4.219 -5.480
50 HD3 LYS 9 2HD LYS 9 -5.497 -4.176 -4.070
51 HE2 LYS 9 1HE LYS 9 -4.086 -4.267 -6.004
52 HE3 LYS 9 2HE LYS 9 -3.943 -5.818 -5.180
53 HZ1 LYS 9 3HZ LYS 9 -5.640 -5.301 -7.573
54 HZ2 LYS 9 1HZ LYS 9 -5.490 -6.752 -6.832
55 HZ3 LYS 9 2HZ LYS 9 -4.211 -6.084 -7.586
56 H GLN 10 H GLN 10 -5.024 -4.185 -0.995
57 HA GLN 10 HA GLN 10 -2.748 -3.208 -2.547
58 HB2 GLN 10 1HB GLN 10 -4.140 -1.975 -0.121
59 HB3 GLN 10 2HB GLN 10 -2.988 -1.198 -1.190
60 HG2 GLN 10 1HG GLN 10 -5.016 -0.399 -1.979
61 HG3 GLN 10 2HG GLN 10 -4.628 -1.672 -3.119
62 HE21 GLN 10 1HE2 GLN 10 -7.124 -1.222 -3.446
63 HE22 GLN 10 2HE2 GLN 10 -8.166 -2.253 -2.470
64 H HIS 11 H HIS 11 -0.708 -3.873 -2.120
65 HA HIS 11 HA HIS 11 0.110 -4.467 0.692
66 HB2 HIS 11 1HB HIS 11 0.607 -6.176 -1.772
67 HB3 HIS 11 2HB HIS 11 1.381 -6.413 -0.214
68 HD1 HIS 11 1HD HIS 11 -2.166 -5.761 0.581
69 HD2 HIS 11 2HD HIS 11 0.178 -8.938 -0.869
70 HE1 HIS 11 1HE HIS 11 -3.519 -7.887 0.975
71 H CYS 12 H CYS 12 2.264 -4.191 1.202
72 HA CYS 12 HA CYS 12 3.753 -2.186 -0.235
73 HB2 CYS 12 1HB CYS 12 3.767 -2.427 2.195
74 HB3 CYS 12 2HB CYS 12 4.539 -4.020 2.042
75 H ARG 13 H ARG 13 5.338 -2.324 -1.658
76 HA ARG 13 HA ARG 13 6.045 -4.888 -2.934
77 HB2 ARG 13 1HB ARG 13 7.001 -2.033 -3.431
78 HB3 ARG 13 2HB ARG 13 7.447 -3.439 -4.405
79 HG2 ARG 13 1HG ARG 13 5.053 -3.819 -4.967
80 HG3 ARG 13 2HG ARG 13 4.612 -2.365 -4.046
81 HD2 ARG 13 1HD ARG 13 6.032 -0.986 -5.526
82 HD3 ARG 13 2HD ARG 13 6.483 -2.438 -6.447
83 HE ARG 13 HE ARG 13 3.635 -2.232 -6.377
84 HH11 ARG 13 2HH1 ARG 13 6.326 -0.596 -7.912
85 HH12 ARG 13 1HH1 ARG 13 5.360 -0.087 -9.271
86 HH21 ARG 13 2HH2 ARG 13 2.462 -1.553 -8.138
87 HH22 ARG 13 1HH2 ARG 13 3.229 -0.617 -9.387
88 H PHE 14 H PHE 14 7.361 -2.943 -0.406
89 HA PHE 14 HA PHE 14 10.116 -3.996 -0.802
90 HB2 PHE 14 1HB PHE 14 9.122 -1.796 1.015
91 HB3 PHE 14 2HB PHE 14 10.791 -2.156 0.615
92 HD1 PHE 14 2HD PHE 14 11.713 -1.568 -1.619
93 HD2 PHE 14 1HD PHE 14 7.651 -0.594 -0.541
94 HE1 PHE 14 2HE PHE 14 11.576 0.010 -3.535
95 HE2 PHE 14 1HE PHE 14 7.516 0.970 -2.465
96 HZ PHE 14 HZ PHE 14 9.478 1.279 -3.959
97 H CYS 15 H CYS 15 7.525 -3.992 1.649
98 HA CYS 15 HA CYS 15 9.024 -6.072 3.152
99 HB2 CYS 15 1HB CYS 15 8.633 -5.073 5.243
100 HB3 CYS 15 2HB CYS 15 9.415 -3.895 4.203
101 H LYS 16 H LYS 16 6.391 -5.721 1.407
102 HA LYS 16 HA LYS 16 4.501 -6.921 1.073
103 HB2 LYS 16 1HB LYS 16 6.286 -8.927 2.454
104 HB3 LYS 16 2HB LYS 16 4.709 -9.373 1.830
105 HG2 LYS 16 1HG LYS 16 6.326 -9.957 0.215
106 HG3 LYS 16 2HG LYS 16 5.309 -8.673 -0.431
107 HD2 LYS 16 1HD LYS 16 7.099 -7.040 -0.180
108 HD3 LYS 16 2HD LYS 16 8.099 -8.212 0.717
109 HE2 LYS 16 1HE LYS 16 8.156 -9.676 -1.285
110 HE3 LYS 16 2HE LYS 16 7.150 -8.523 -2.170
111 HZ1 LYS 16 3HZ LYS 16 9.860 -7.916 -1.108
112 HZ2 LYS 16 1HZ LYS 16 8.932 -6.890 -1.995
113 HZ3 LYS 16 2HZ LYS 16 9.522 -8.253 -2.667
114 H LYS 17 H LYS 17 4.499 -5.363 3.681
115 HA LYS 17 HA LYS 17 2.399 -6.604 5.264
116 HB2 LYS 17 1HB LYS 17 3.288 -3.701 5.023
117 HB3 LYS 17 2HB LYS 17 2.112 -4.319 6.199
118 HG2 LYS 17 1HG LYS 17 3.796 -5.770 7.221
119 HG3 LYS 17 2HG LYS 17 4.975 -5.336 5.973
120 HD2 LYS 17 1HD LYS 17 4.861 -2.945 6.742
121 HD3 LYS 17 2HD LYS 17 3.782 -3.449 8.047
122 HE2 LYS 17 1HE LYS 17 6.084 -3.209 8.847
123 HE3 LYS 17 2HE LYS 17 5.537 -4.881 9.002
124 HZ1 LYS 17 3HZ LYS 17 6.830 -5.477 7.094
125 HZ2 LYS 17 1HZ LYS 17 7.829 -4.590 8.038
126 HZ3 LYS 17 2HZ LYS 17 7.148 -3.939 6.683
127 H LYS 18 H LYS 18 0.264 -5.676 5.519
128 HA LYS 18 HA LYS 18 -1.059 -5.387 2.848
129 HB2 LYS 18 1HB LYS 18 -1.986 -6.701 5.426
130 HB3 LYS 18 2HB LYS 18 -2.915 -6.630 3.916
131 HG2 LYS 18 1HG LYS 18 -1.082 -7.946 2.792
132 HG3 LYS 18 2HG LYS 18 -0.262 -8.085 4.347
133 HD2 LYS 18 1HD LYS 18 -2.195 -9.239 5.319
134 HD3 LYS 18 2HD LYS 18 -3.083 -9.124 3.796
135 HE2 LYS 18 1HE LYS 18 -0.352 -10.462 3.993
136 HE3 LYS 18 2HE LYS 18 -1.833 -11.337 4.385
137 HZ1 LYS 18 3HZ LYS 18 -2.637 -10.980 2.157
138 HZ2 LYS 18 1HZ LYS 18 -1.149 -11.635 2.051
139 HZ3 LYS 18 2HZ LYS 18 -1.371 -10.045 1.743
140 H TYR 19 H TYR 19 -2.660 -3.950 2.507
141 HA TYR 19 HA TYR 19 -3.703 -2.256 4.719
142 HB2 TYR 19 1HB TYR 19 -2.511 -1.305 2.083
143 HB3 TYR 19 2HB TYR 19 -3.504 -0.298 3.128
144 HD1 TYR 19 1HD TYR 19 -2.771 0.278 5.441
145 HD2 TYR 19 2HD TYR 19 -0.174 -1.754 2.657
146 HE1 TYR 19 1HE TYR 19 -0.818 0.736 6.922
147 HE2 TYR 19 2HE TYR 19 1.777 -1.289 4.138
148 HH TYR 19 HH TYR 19 2.472 -0.410 6.137
149 H SER 20 H SER 20 -5.742 -1.311 4.333
150 HA SER 20 HA SER 20 -7.482 -2.895 2.585
151 HB2 SER 20 1HB SER 20 -8.174 -0.647 4.506
152 HB3 SER 20 2HB SER 20 -9.306 -1.791 3.759
153 HG SER 20 HG SER 20 -8.710 -2.400 5.906
154 H ASP 21 H ASP 21 -5.767 -0.050 2.099
155 HA ASP 21 HA ASP 21 -7.323 0.742 -0.251
156 HB2 ASP 21 1HB ASP 21 -7.691 3.019 0.460
157 HB3 ASP 21 2HB ASP 21 -8.445 1.943 1.627
158 H VAL 22 H VAL 22 -6.227 2.449 -1.501
159 HA VAL 22 HA VAL 22 -3.407 1.847 -1.707
160 HB VAL 22 HB VAL 22 -5.036 2.245 -3.582
161 HG11 VAL 22 1HG1 VAL 22 -5.409 4.460 -4.448
162 HG12 VAL 22 2HG1 VAL 22 -6.034 4.387 -2.795
163 HG13 VAL 22 3HG1 VAL 22 -4.486 5.199 -3.130
164 HG21 VAL 22 3HG2 VAL 22 -2.438 3.798 -3.724
165 HG22 VAL 22 1HG2 VAL 22 -2.619 2.045 -3.946
166 HG23 VAL 22 2HG2 VAL 22 -3.372 3.166 -5.093
167 H LYS 23 H LYS 23 -5.140 4.477 -0.151
168 HA LYS 23 HA LYS 23 -2.992 6.397 -0.483
169 HB2 LYS 23 1HB LYS 23 -5.476 6.461 1.289
170 HB3 LYS 23 2HB LYS 23 -4.363 7.814 1.055
171 HG2 LYS 23 1HG LYS 23 -4.843 7.823 -1.374
172 HG3 LYS 23 2HG LYS 23 -5.971 6.469 -1.165
173 HD2 LYS 23 1HD LYS 23 -7.374 7.837 0.332
174 HD3 LYS 23 2HD LYS 23 -6.253 9.206 0.143
175 HE2 LYS 23 1HE LYS 23 -6.682 9.211 -2.307
176 HE3 LYS 23 2HE LYS 23 -7.799 7.853 -2.116
177 HZ1 LYS 23 3HZ LYS 23 -9.197 9.284 -0.719
178 HZ2 LYS 23 1HZ LYS 23 -8.987 9.969 -2.184
179 HZ3 LYS 23 2HZ LYS 23 -8.166 10.538 -0.896
180 H ASN 24 H ASN 24 -4.111 4.376 2.239
181 HA ASN 24 HA ASN 24 -1.979 5.150 4.046
182 HB2 ASN 24 1HB ASN 24 -3.879 2.779 3.912
183 HB3 ASN 24 2HB ASN 24 -2.616 2.902 5.137
184 HD21 ASN 24 1HD2 ASN 24 -5.839 3.743 4.496
185 HD22 ASN 24 2HD2 ASN 24 -5.978 4.960 5.768
186 H LEU 25 H LEU 25 -2.157 2.647 1.492
187 HA LEU 25 HA LEU 25 0.407 1.477 2.037
188 HB2 LEU 25 1HB LEU 25 -1.188 0.331 0.654
189 HB3 LEU 25 2HB LEU 25 -1.301 1.685 -0.465
190 HG LEU 25 HG LEU 25 1.023 1.320 -1.212
191 HD11 LEU 25 1HD1 LEU 25 2.000 0.295 0.820
192 HD12 LEU 25 2HD1 LEU 25 2.200 -0.741 -0.592
193 HD13 LEU 25 3HD1 LEU 25 0.951 -1.126 0.609
194 HD21 LEU 25 3HD2 LEU 25 -0.864 0.212 -2.363
195 HD22 LEU 25 1HD2 LEU 25 -0.659 -1.203 -1.301
196 HD23 LEU 25 2HD2 LEU 25 0.626 -0.747 -2.436
197 H ILE 26 H ILE 26 -0.509 4.175 -0.205
198 HA ILE 26 HA ILE 26 2.183 4.747 -1.005
199 HB ILE 26 HB ILE 26 -0.356 6.407 -1.003
200 HG12 ILE 26 1HG1 ILE 26 1.297 5.207 -3.284
201 HG13 ILE 26 2HG1 ILE 26 -0.057 4.373 -2.542
202 HG21 ILE 26 1HG2 ILE 26 0.865 8.036 -2.467
203 HG22 ILE 26 2HG2 ILE 26 1.498 8.016 -0.836
204 HG23 ILE 26 3HG2 ILE 26 2.380 7.169 -2.131
205 HD11 ILE 26 3HD1 ILE 26 -0.215 6.987 -4.090
206 HD12 ILE 26 1HD1 ILE 26 -0.818 5.401 -4.575
207 HD13 ILE 26 2HD1 ILE 26 -1.575 6.245 -3.209
208 H LYS 27 H LYS 27 0.253 6.103 1.726
209 HA LYS 27 HA LYS 27 2.277 7.846 2.713
210 HB2 LYS 27 1HB LYS 27 -0.080 7.909 3.420
211 HB3 LYS 27 2HB LYS 27 0.077 6.325 4.174
212 HG2 LYS 27 1HG LYS 27 0.103 8.077 5.845
213 HG3 LYS 27 2HG LYS 27 1.644 7.222 5.837
214 HD2 LYS 27 1HD LYS 27 2.695 9.090 4.588
215 HD3 LYS 27 2HD LYS 27 1.126 9.924 4.507
216 HE2 LYS 27 1HE LYS 27 1.059 10.002 6.994
217 HE3 LYS 27 2HE LYS 27 2.621 9.176 7.063
218 HZ1 LYS 27 3HZ LYS 27 2.160 11.845 5.836
219 HZ2 LYS 27 1HZ LYS 27 3.605 11.083 5.900
220 HZ3 LYS 27 2HZ LYS 27 2.880 11.581 7.274
221 H HIS 28 H HIS 28 1.724 4.373 3.468
222 HA HIS 28 HA HIS 28 3.895 4.047 5.279
223 HB2 HIS 28 1HB HIS 28 2.224 2.357 5.102
224 HB3 HIS 28 2HB HIS 28 2.470 2.159 3.375
225 HD1 HIS 28 1HD HIS 28 4.247 1.301 6.677
226 HD2 HIS 28 2HD HIS 28 4.360 0.515 2.547
227 HE1 HIS 28 1HE HIS 28 5.880 -0.619 6.388
228 H ILE 29 H ILE 29 3.865 3.646 1.682
229 HA ILE 29 HA ILE 29 6.645 2.983 1.475
230 HB ILE 29 HB ILE 29 4.740 4.230 -0.527
231 HG12 ILE 29 1HG1 ILE 29 5.781 1.363 -0.449
232 HG13 ILE 29 2HG1 ILE 29 4.315 1.830 0.391
233 HG21 ILE 29 1HG2 ILE 29 7.511 3.036 -0.994
234 HG22 ILE 29 2HG2 ILE 29 6.384 3.521 -2.274
235 HG23 ILE 29 3HG2 ILE 29 7.067 4.741 -1.216
236 HD11 ILE 29 3HD1 ILE 29 3.321 2.638 -1.750
237 HD12 ILE 29 1HD1 ILE 29 4.753 2.028 -2.612
238 HD13 ILE 29 2HD1 ILE 29 3.703 0.904 -1.743
239 H ARG 30 H ARG 30 5.020 6.181 1.268
240 HA ARG 30 HA ARG 30 7.418 7.712 0.856
241 HB2 ARG 30 1HB ARG 30 4.674 8.417 1.962
242 HB3 ARG 30 2HB ARG 30 5.953 9.616 1.731
243 HG2 ARG 30 1HG ARG 30 6.074 9.142 -0.658
244 HG3 ARG 30 2HG ARG 30 4.870 7.852 -0.511
245 HD2 ARG 30 1HD ARG 30 3.194 9.491 0.270
246 HD3 ARG 30 2HD ARG 30 4.397 10.792 0.131
247 HE ARG 30 HE ARG 30 4.290 9.517 -2.380
248 HH11 ARG 30 2HH1 ARG 30 2.093 11.435 -0.438
249 HH12 ARG 30 1HH1 ARG 30 1.217 12.008 -1.831
250 HH21 ARG 30 2HH2 ARG 30 3.135 10.291 -4.113
251 HH22 ARG 30 1HH2 ARG 30 1.800 11.375 -3.854
252 H ASP 31 H ASP 31 5.963 6.547 3.864
253 HA ASP 31 HA ASP 31 7.785 8.137 5.515
254 HB2 ASP 31 1HB ASP 31 5.413 7.626 6.098
255 HB3 ASP 31 2HB ASP 31 5.856 5.927 6.297
256 H MET 32 H MET 32 7.658 4.736 4.450
257 HA MET 32 HA MET 32 9.987 4.065 6.192
258 HB2 MET 32 1HB MET 32 7.912 2.312 4.826
259 HB3 MET 32 2HB MET 32 9.227 1.726 5.829
260 HG2 MET 32 1HG MET 32 6.992 3.564 6.760
261 HG3 MET 32 2HG MET 32 7.082 1.834 7.042
262 HE1 MET 32 3HE MET 32 8.703 0.627 8.690
263 HE2 MET 32 1HE MET 32 10.150 1.293 7.895
264 HE3 MET 32 2HE MET 32 9.956 1.441 9.652
265 H HIS 33 H HIS 33 9.199 4.220 2.745
266 HA HIS 33 HA HIS 33 11.750 2.782 2.109
267 HB2 HIS 33 1HB HIS 33 9.116 2.529 0.639
268 HB3 HIS 33 2HB HIS 33 10.587 1.607 0.349
269 HD1 HIS 33 1HD HIS 33 11.288 0.437 3.127
270 HD2 HIS 33 2HD HIS 33 7.384 0.936 1.660
271 HE1 HIS 33 1HE HIS 33 9.854 -1.214 4.418
272 H ASP 34 H ASP 34 10.491 5.792 1.839
273 HA ASP 34 HA ASP 34 10.726 6.492 -0.870
274 HB2 ASP 34 1HB ASP 34 9.664 7.883 0.791
275 HB3 ASP 34 2HB ASP 34 11.192 8.129 1.641
276 HA PRO 35 HA PRO 35 15.186 5.928 -1.231
277 HB2 PRO 35 1HB PRO 35 15.559 6.627 -3.861
278 HB3 PRO 35 2HB PRO 35 14.822 5.086 -3.330
279 HG2 PRO 35 1HG PRO 35 13.397 7.626 -4.188
280 HG3 PRO 35 2HG PRO 35 13.088 5.944 -4.730
281 HD2 PRO 35 1HD PRO 35 11.590 7.082 -2.779
282 HD3 PRO 35 2HD PRO 35 12.077 5.367 -2.672
283 H GLN 36 H GLN 36 16.751 7.213 -0.506
284 HA GLN 36 HA GLN 36 17.056 10.019 -1.323
285 HB2 GLN 36 1HB GLN 36 16.772 9.148 1.591
286 HB3 GLN 36 2HB GLN 36 17.303 10.739 1.034
287 HG2 GLN 36 1HG GLN 36 15.084 11.067 -0.080
288 HG3 GLN 36 2HG GLN 36 14.557 9.509 0.560
289 HE21 GLN 36 1HE2 GLN 36 12.792 10.890 1.448
290 HE22 GLN 36 2HE2 GLN 36 13.092 11.674 3.011
291 H ASP 37 H ASP 37 19.125 10.645 -1.287
292 HA ASP 37 HA ASP 37 21.271 8.674 -1.050
293 HB2 ASP 37 1HB ASP 37 21.206 10.291 -2.888
294 HB3 ASP 37 2HB ASP 37 21.323 11.627 -1.749
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -15.108 -21.947 13.269
2 H2 GLY 1 2H GLY 1 -14.062 -23.162 12.936
3 H3 GLY 1 3H GLY 1 -14.759 -22.318 11.715
4 HA2 GLY 1 1HA GLY 1 -12.843 -21.234 13.678
5 HA3 GLY 1 2HA GLY 1 -12.472 -21.627 11.990
6 H SER 2 H SER 2 -11.758 -19.291 12.131
7 HA SER 2 HA SER 2 -13.614 -17.142 12.361
8 HB2 SER 2 1HB SER 2 -10.960 -17.220 10.879
9 HB3 SER 2 2HB SER 2 -11.830 -15.768 11.407
10 HG SER 2 HG SER 2 -10.179 -16.393 12.891
11 H SER 3 H SER 3 -14.626 -15.821 10.865
12 HA SER 3 HA SER 3 -14.491 -16.354 7.978
13 HB2 SER 3 1HB SER 3 -16.206 -17.965 8.864
14 HB3 SER 3 2HB SER 3 -17.143 -16.580 9.456
15 HG SER 3 HG SER 3 -17.810 -17.306 7.361
16 H GLY 4 H GLY 4 -15.313 -14.650 6.716
17 HA2 GLY 4 1HA GLY 4 -16.880 -12.490 7.406
18 HA3 GLY 4 2HA GLY 4 -15.262 -11.986 7.894
19 H SER 5 H SER 5 -16.899 -10.767 5.887
20 HA SER 5 HA SER 5 -15.752 -11.480 3.263
21 HB2 SER 5 1HB SER 5 -17.801 -9.367 4.006
22 HB3 SER 5 2HB SER 5 -17.379 -9.903 2.368
23 HG SER 5 HG SER 5 -19.265 -10.950 3.171
24 H SER 6 H SER 6 -14.741 -9.426 5.715
25 HA SER 6 HA SER 6 -14.060 -7.081 4.192
26 HB2 SER 6 1HB SER 6 -13.229 -7.853 7.006
27 HB3 SER 6 2HB SER 6 -13.182 -6.230 6.285
28 HG SER 6 HG SER 6 -15.067 -6.554 7.556
29 H GLY 7 H GLY 7 -12.794 -9.064 2.820
30 HA2 GLY 7 1HA GLY 7 -9.996 -9.423 3.487
31 HA3 GLY 7 2HA GLY 7 -10.753 -9.740 1.928
32 H ILE 8 H ILE 8 -8.173 -8.548 2.461
33 HA ILE 8 HA ILE 8 -8.439 -5.943 1.040
34 HB ILE 8 HB ILE 8 -6.635 -4.989 2.347
35 HG12 ILE 8 1HG1 ILE 8 -6.810 -7.447 4.148
36 HG13 ILE 8 2HG1 ILE 8 -5.472 -7.051 3.069
37 HG21 ILE 8 1HG2 ILE 8 -7.939 -4.437 4.321
38 HG22 ILE 8 2HG2 ILE 8 -9.036 -4.630 2.951
39 HG23 ILE 8 3HG2 ILE 8 -8.895 -5.917 4.169
40 HD11 ILE 8 3HD1 ILE 8 -5.066 -4.954 4.371
41 HD12 ILE 8 1HD1 ILE 8 -6.308 -5.481 5.533
42 HD13 ILE 8 2HD1 ILE 8 -4.846 -6.447 5.305
43 H LYS 9 H LYS 9 -6.763 -5.402 -0.372
44 HA LYS 9 HA LYS 9 -5.031 -7.717 -1.239
45 HB2 LYS 9 1HB LYS 9 -6.757 -5.875 -2.948
46 HB3 LYS 9 2HB LYS 9 -5.604 -7.063 -3.570
47 HG2 LYS 9 1HG LYS 9 -6.873 -8.887 -2.436
48 HG3 LYS 9 2HG LYS 9 -8.081 -7.698 -1.909
49 HD2 LYS 9 1HD LYS 9 -8.559 -7.125 -4.274
50 HD3 LYS 9 2HD LYS 9 -7.352 -8.320 -4.805
51 HE2 LYS 9 1HE LYS 9 -8.644 -10.119 -3.670
52 HE3 LYS 9 2HE LYS 9 -9.847 -8.929 -3.153
53 HZ1 LYS 9 3HZ LYS 9 -10.550 -10.079 -5.175
54 HZ2 LYS 9 1HZ LYS 9 -9.218 -9.595 -5.982
55 HZ3 LYS 9 2HZ LYS 9 -10.331 -8.496 -5.505
56 H GLN 10 H GLN 10 -5.108 -4.307 -0.661
57 HA GLN 10 HA GLN 10 -2.905 -3.586 -2.392
58 HB2 GLN 10 1HB GLN 10 -4.116 -2.083 -0.022
59 HB3 GLN 10 2HB GLN 10 -3.025 -1.442 -1.230
60 HG2 GLN 10 1HG GLN 10 -5.049 -0.659 -1.964
61 HG3 GLN 10 2HG GLN 10 -4.813 -2.061 -2.988
62 HE21 GLN 10 1HE2 GLN 10 -7.337 -1.075 -2.897
63 HE22 GLN 10 2HE2 GLN 10 -8.357 -2.074 -1.871
64 H HIS 11 H HIS 11 -0.770 -3.978 -2.028
65 HA HIS 11 HA HIS 11 0.185 -4.288 0.761
66 HB2 HIS 11 1HB HIS 11 1.281 -6.338 0.330
67 HB3 HIS 11 2HB HIS 11 -0.388 -6.525 -0.186
68 HD1 HIS 11 1HD HIS 11 3.153 -6.107 -1.724
69 HD2 HIS 11 2HD HIS 11 -0.802 -7.168 -2.736
70 HE1 HIS 11 1HE HIS 11 3.249 -7.071 -4.079
71 H CYS 12 H CYS 12 2.347 -4.078 1.165
72 HA CYS 12 HA CYS 12 3.809 -2.082 -0.262
73 HB2 CYS 12 1HB CYS 12 3.881 -2.483 2.154
74 HB3 CYS 12 2HB CYS 12 4.635 -4.063 1.877
75 H ARG 13 H ARG 13 5.592 -2.179 -1.468
76 HA ARG 13 HA ARG 13 6.174 -4.660 -3.014
77 HB2 ARG 13 1HB ARG 13 5.569 -2.607 -4.197
78 HB3 ARG 13 2HB ARG 13 6.912 -1.733 -3.479
79 HG2 ARG 13 1HG ARG 13 7.519 -4.240 -5.054
80 HG3 ARG 13 2HG ARG 13 6.980 -2.816 -5.940
81 HD2 ARG 13 1HD ARG 13 8.775 -1.461 -5.132
82 HD3 ARG 13 2HD ARG 13 9.319 -2.681 -3.996
83 HE ARG 13 HE ARG 13 9.835 -2.563 -6.871
84 HH11 ARG 13 2HH1 ARG 13 9.818 -4.783 -4.136
85 HH12 ARG 13 1HH1 ARG 13 10.983 -5.839 -4.898
86 HH21 ARG 13 2HH2 ARG 13 11.285 -3.976 -7.767
87 HH22 ARG 13 1HH2 ARG 13 11.771 -5.400 -6.896
88 H PHE 14 H PHE 14 7.431 -3.008 -0.338
89 HA PHE 14 HA PHE 14 10.228 -3.964 -0.838
90 HB2 PHE 14 1HB PHE 14 9.280 -1.694 0.917
91 HB3 PHE 14 2HB PHE 14 10.939 -2.087 0.507
92 HD1 PHE 14 2HD PHE 14 11.800 -1.677 -1.816
93 HD2 PHE 14 1HD PHE 14 7.844 -0.453 -0.609
94 HE1 PHE 14 2HE PHE 14 11.643 -0.201 -3.811
95 HE2 PHE 14 1HE PHE 14 7.688 1.015 -2.606
96 HZ PHE 14 HZ PHE 14 9.582 1.132 -4.214
97 H CYS 15 H CYS 15 7.622 -3.978 1.563
98 HA CYS 15 HA CYS 15 9.111 -6.052 3.070
99 HB2 CYS 15 1HB CYS 15 8.716 -5.084 5.172
100 HB3 CYS 15 2HB CYS 15 9.492 -3.880 4.161
101 H LYS 16 H LYS 16 6.523 -5.634 1.306
102 HA LYS 16 HA LYS 16 4.597 -6.728 0.907
103 HB2 LYS 16 1HB LYS 16 6.055 -8.948 2.364
104 HB3 LYS 16 2HB LYS 16 4.692 -9.154 1.258
105 HG2 LYS 16 1HG LYS 16 6.016 -8.111 -0.576
106 HG3 LYS 16 2HG LYS 16 7.415 -8.005 0.511
107 HD2 LYS 16 1HD LYS 16 7.387 -10.468 0.796
108 HD3 LYS 16 2HD LYS 16 5.993 -10.579 -0.305
109 HE2 LYS 16 1HE LYS 16 7.349 -9.545 -2.115
110 HE3 LYS 16 2HE LYS 16 8.735 -9.436 -1.022
111 HZ1 LYS 16 3HZ LYS 16 8.719 -11.871 -0.870
112 HZ2 LYS 16 1HZ LYS 16 8.870 -11.412 -2.427
113 HZ3 LYS 16 2HZ LYS 16 7.438 -11.972 -1.880
114 H LYS 17 H LYS 17 4.598 -5.387 3.704
115 HA LYS 17 HA LYS 17 2.417 -6.706 5.104
116 HB2 LYS 17 1HB LYS 17 3.340 -3.805 5.150
117 HB3 LYS 17 2HB LYS 17 2.169 -4.541 6.261
118 HG2 LYS 17 1HG LYS 17 3.865 -6.036 7.176
119 HG3 LYS 17 2HG LYS 17 5.030 -5.539 5.941
120 HD2 LYS 17 1HD LYS 17 4.909 -3.183 6.853
121 HD3 LYS 17 2HD LYS 17 3.903 -3.798 8.169
122 HE2 LYS 17 1HE LYS 17 6.228 -3.580 8.883
123 HE3 LYS 17 2HE LYS 17 5.738 -5.276 8.910
124 HZ1 LYS 17 3HZ LYS 17 7.965 -4.836 7.870
125 HZ2 LYS 17 1HZ LYS 17 7.212 -4.071 6.617
126 HZ3 LYS 17 2HZ LYS 17 6.942 -5.648 6.885
127 H LYS 18 H LYS 18 0.272 -5.761 5.366
128 HA LYS 18 HA LYS 18 -0.886 -4.930 2.728
129 HB2 LYS 18 1HB LYS 18 -1.901 -6.758 4.913
130 HB3 LYS 18 2HB LYS 18 -2.915 -6.176 3.571
131 HG2 LYS 18 1HG LYS 18 -1.269 -7.150 1.948
132 HG3 LYS 18 2HG LYS 18 -0.400 -7.882 3.304
133 HD2 LYS 18 1HD LYS 18 -3.302 -8.427 2.524
134 HD3 LYS 18 2HD LYS 18 -1.917 -9.467 2.169
135 HE2 LYS 18 1HE LYS 18 -1.496 -9.724 4.621
136 HE3 LYS 18 2HE LYS 18 -2.933 -8.749 4.957
137 HZ1 LYS 18 3HZ LYS 18 -4.263 -10.443 3.801
138 HZ2 LYS 18 1HZ LYS 18 -3.443 -11.117 5.039
139 HZ3 LYS 18 2HZ LYS 18 -2.932 -11.344 3.509
140 H TYR 19 H TYR 19 -2.569 -3.582 2.590
141 HA TYR 19 HA TYR 19 -3.569 -2.104 4.969
142 HB2 TYR 19 1HB TYR 19 -2.320 -0.900 2.470
143 HB3 TYR 19 2HB TYR 19 -3.411 0.002 3.511
144 HD1 TYR 19 1HD TYR 19 -2.833 0.560 5.839
145 HD2 TYR 19 2HD TYR 19 -0.017 -1.408 3.227
146 HE1 TYR 19 1HE TYR 19 -1.002 1.052 7.448
147 HE2 TYR 19 2HE TYR 19 1.813 -0.935 4.857
148 HH TYR 19 HH TYR 19 1.199 0.786 7.952
149 H SER 20 H SER 20 -5.603 -1.006 4.584
150 HA SER 20 HA SER 20 -7.408 -2.621 2.999
151 HB2 SER 20 1HB SER 20 -7.975 -0.082 4.568
152 HB3 SER 20 2HB SER 20 -9.156 -1.294 4.036
153 HG SER 20 HG SER 20 -8.535 -1.576 6.237
154 H ASP 21 H ASP 21 -5.659 0.190 2.183
155 HA ASP 21 HA ASP 21 -7.172 0.647 -0.283
156 HB2 ASP 21 1HB ASP 21 -7.658 2.978 0.170
157 HB3 ASP 21 2HB ASP 21 -8.428 1.983 1.396
158 H VAL 22 H VAL 22 -6.135 2.303 -1.663
159 HA VAL 22 HA VAL 22 -3.308 1.801 -1.808
160 HB VAL 22 HB VAL 22 -4.905 2.073 -3.712
161 HG11 VAL 22 1HG1 VAL 22 -6.005 4.199 -3.022
162 HG12 VAL 22 2HG1 VAL 22 -4.488 5.060 -3.384
163 HG13 VAL 22 3HG1 VAL 22 -5.369 4.225 -4.672
164 HG21 VAL 22 3HG2 VAL 22 -2.467 1.979 -4.033
165 HG22 VAL 22 1HG2 VAL 22 -3.268 2.997 -5.243
166 HG23 VAL 22 2HG2 VAL 22 -2.387 3.749 -3.900
167 H LYS 23 H LYS 23 -5.107 4.489 -0.393
168 HA LYS 23 HA LYS 23 -2.914 6.369 -0.749
169 HB2 LYS 23 1HB LYS 23 -5.401 6.596 1.010
170 HB3 LYS 23 2HB LYS 23 -4.295 7.908 0.626
171 HG2 LYS 23 1HG LYS 23 -6.044 6.422 -1.384
172 HG3 LYS 23 2HG LYS 23 -6.366 8.006 -0.685
173 HD2 LYS 23 1HD LYS 23 -4.292 8.906 -1.753
174 HD3 LYS 23 2HD LYS 23 -3.976 7.316 -2.453
175 HE2 LYS 23 1HE LYS 23 -4.957 8.618 -4.172
176 HE3 LYS 23 2HE LYS 23 -6.152 7.419 -3.672
177 HZ1 LYS 23 3HZ LYS 23 -7.260 9.171 -2.377
178 HZ2 LYS 23 1HZ LYS 23 -7.126 9.639 -3.932
179 HZ3 LYS 23 2HZ LYS 23 -6.127 10.270 -2.810
180 H ASN 24 H ASN 24 -4.187 4.511 2.021
181 HA ASN 24 HA ASN 24 -2.071 5.302 3.842
182 HB2 ASN 24 1HB ASN 24 -4.057 3.002 3.792
183 HB3 ASN 24 2HB ASN 24 -2.831 3.160 5.049
184 HD21 ASN 24 1HD2 ASN 24 -6.005 4.026 4.297
185 HD22 ASN 24 2HD2 ASN 24 -6.136 5.347 5.462
186 H LEU 25 H LEU 25 -2.258 2.719 1.379
187 HA LEU 25 HA LEU 25 0.257 1.501 2.041
188 HB2 LEU 25 1HB LEU 25 -1.335 0.369 0.625
189 HB3 LEU 25 2HB LEU 25 -1.343 1.695 -0.532
190 HG LEU 25 HG LEU 25 0.996 1.232 -1.155
191 HD11 LEU 25 1HD1 LEU 25 1.831 0.229 0.953
192 HD12 LEU 25 2HD1 LEU 25 2.066 -0.844 -0.420
193 HD13 LEU 25 3HD1 LEU 25 0.743 -1.161 0.725
194 HD21 LEU 25 3HD2 LEU 25 0.584 -0.824 -2.366
195 HD22 LEU 25 1HD2 LEU 25 -0.891 0.157 -2.355
196 HD23 LEU 25 2HD2 LEU 25 -0.746 -1.249 -1.271
197 H ILE 26 H ILE 26 -0.512 4.211 -0.250
198 HA ILE 26 HA ILE 26 2.221 4.682 -0.982
199 HB ILE 26 HB ILE 26 -0.241 6.452 -1.036
200 HG12 ILE 26 1HG1 ILE 26 1.386 5.229 -3.317
201 HG13 ILE 26 2HG1 ILE 26 0.042 4.382 -2.575
202 HG21 ILE 26 1HG2 ILE 26 2.553 7.073 -2.111
203 HG22 ILE 26 2HG2 ILE 26 1.092 8.009 -2.485
204 HG23 ILE 26 3HG2 ILE 26 1.692 7.970 -0.839
205 HD11 ILE 26 3HD1 ILE 26 -1.492 6.245 -3.193
206 HD12 ILE 26 1HD1 ILE 26 -0.149 7.035 -4.055
207 HD13 ILE 26 2HD1 ILE 26 -0.732 5.455 -4.588
208 H LYS 27 H LYS 27 0.265 6.102 1.691
209 HA LYS 27 HA LYS 27 2.340 7.749 2.782
210 HB2 LYS 27 1HB LYS 27 -0.023 6.337 4.083
211 HB3 LYS 27 2HB LYS 27 1.058 7.419 4.965
212 HG2 LYS 27 1HG LYS 27 0.508 9.291 3.511
213 HG3 LYS 27 2HG LYS 27 -0.501 8.264 2.485
214 HD2 LYS 27 1HD LYS 27 -2.008 7.811 4.413
215 HD3 LYS 27 2HD LYS 27 -0.997 8.854 5.437
216 HE2 LYS 27 1HE LYS 27 -1.449 10.768 3.905
217 HE3 LYS 27 2HE LYS 27 -2.478 9.727 2.913
218 HZ1 LYS 27 3HZ LYS 27 -3.932 9.437 4.858
219 HZ2 LYS 27 1HZ LYS 27 -3.794 11.022 4.490
220 HZ3 LYS 27 2HZ LYS 27 -2.981 10.410 5.764
221 H HIS 28 H HIS 28 1.622 4.283 3.486
222 HA HIS 28 HA HIS 28 3.771 3.848 5.302
223 HB2 HIS 28 1HB HIS 28 2.082 2.182 5.052
224 HB3 HIS 28 2HB HIS 28 2.355 2.024 3.326
225 HD1 HIS 28 1HD HIS 28 3.781 0.812 6.624
226 HD2 HIS 28 2HD HIS 28 4.466 0.565 2.492
227 HE1 HIS 28 1HE HIS 28 5.577 -0.959 6.330
228 H ILE 29 H ILE 29 3.762 3.512 1.704
229 HA ILE 29 HA ILE 29 6.496 2.749 1.492
230 HB ILE 29 HB ILE 29 4.608 4.067 -0.469
231 HG12 ILE 29 1HG1 ILE 29 5.697 1.218 -0.454
232 HG13 ILE 29 2HG1 ILE 29 4.217 1.658 0.383
233 HG21 ILE 29 1HG2 ILE 29 6.243 3.419 -2.262
234 HG22 ILE 29 2HG2 ILE 29 6.857 4.672 -1.204
235 HG23 ILE 29 3HG2 ILE 29 7.415 2.993 -0.997
236 HD11 ILE 29 3HD1 ILE 29 4.676 1.871 -2.614
237 HD12 ILE 29 1HD1 ILE 29 3.614 0.750 -1.753
238 HD13 ILE 29 2HD1 ILE 29 3.239 2.486 -1.762
239 H ARG 30 H ARG 30 5.075 6.055 1.330
240 HA ARG 30 HA ARG 30 7.671 7.329 0.985
241 HB2 ARG 30 1HB ARG 30 4.955 8.431 1.858
242 HB3 ARG 30 2HB ARG 30 6.387 9.407 1.559
243 HG2 ARG 30 1HG ARG 30 6.279 7.901 -0.772
244 HG3 ARG 30 2HG ARG 30 4.581 8.009 -0.379
245 HD2 ARG 30 1HD ARG 30 5.300 9.806 -1.925
246 HD3 ARG 30 2HD ARG 30 4.624 10.421 -0.418
247 HE ARG 30 HE ARG 30 6.572 11.568 -0.106
248 HH11 ARG 30 2HH1 ARG 30 7.594 8.813 -2.076
249 HH12 ARG 30 1HH1 ARG 30 9.285 9.139 -1.676
250 HH21 ARG 30 2HH2 ARG 30 8.783 11.885 0.169
251 HH22 ARG 30 1HH2 ARG 30 9.878 10.718 -0.566
252 H ASP 31 H ASP 31 5.874 6.489 3.925
253 HA ASP 31 HA ASP 31 7.694 8.017 5.618
254 HB2 ASP 31 1HB ASP 31 5.291 7.602 6.124
255 HB3 ASP 31 2HB ASP 31 5.662 5.891 6.367
256 H MET 32 H MET 32 7.492 4.599 4.623
257 HA MET 32 HA MET 32 9.688 3.870 6.490
258 HB2 MET 32 1HB MET 32 7.799 2.158 4.837
259 HB3 MET 32 2HB MET 32 9.005 1.550 5.957
260 HG2 MET 32 1HG MET 32 6.640 3.311 6.698
261 HG3 MET 32 2HG MET 32 6.739 1.576 6.931
262 HE1 MET 32 3HE MET 32 9.310 1.145 9.832
263 HE2 MET 32 1HE MET 32 8.190 0.343 8.710
264 HE3 MET 32 2HE MET 32 9.701 1.063 8.104
265 H HIS 33 H HIS 33 9.199 4.146 2.986
266 HA HIS 33 HA HIS 33 11.846 2.795 2.548
267 HB2 HIS 33 1HB HIS 33 9.386 2.609 0.787
268 HB3 HIS 33 2HB HIS 33 10.897 1.726 0.608
269 HD1 HIS 33 1HD HIS 33 11.335 0.425 3.378
270 HD2 HIS 33 2HD HIS 33 7.569 0.965 1.602
271 HE1 HIS 33 1HE HIS 33 9.796 -1.237 4.517
272 H ASP 34 H ASP 34 9.641 5.270 1.236
273 HA ASP 34 HA ASP 34 9.886 6.878 -0.350
274 HB2 ASP 34 1HB ASP 34 10.754 7.927 1.618
275 HB3 ASP 34 2HB ASP 34 12.372 7.321 1.295
276 HA PRO 35 HA PRO 35 12.701 4.637 -3.324
277 HB2 PRO 35 1HB PRO 35 10.825 4.039 -5.224
278 HB3 PRO 35 2HB PRO 35 11.146 3.004 -3.797
279 HG2 PRO 35 1HG PRO 35 8.968 5.101 -4.121
280 HG3 PRO 35 2HG PRO 35 8.793 3.412 -3.549
281 HD2 PRO 35 1HD PRO 35 9.005 5.489 -1.815
282 HD3 PRO 35 2HD PRO 35 9.782 3.916 -1.464
283 H GLN 36 H GLN 36 13.657 5.693 -5.025
284 HA GLN 36 HA GLN 36 12.431 8.043 -6.305
285 HB2 GLN 36 1HB GLN 36 15.062 8.106 -4.758
286 HB3 GLN 36 2HB GLN 36 14.518 9.368 -5.855
287 HG2 GLN 36 1HG GLN 36 13.118 8.545 -3.270
288 HG3 GLN 36 2HG GLN 36 14.149 9.945 -3.478
289 HE21 GLN 36 1HE2 GLN 36 11.386 10.004 -2.577
290 HE22 GLN 36 2HE2 GLN 36 10.538 10.984 -3.782
291 H ASP 37 H ASP 37 13.125 8.325 -8.311
292 HA ASP 37 HA ASP 37 15.476 6.923 -9.452
293 HB2 ASP 37 1HB ASP 37 13.614 5.332 -9.684
294 HB3 ASP 37 2HB ASP 37 12.636 6.558 -10.480
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -20.994 -2.691 9.545
2 H2 GLY 1 2H GLY 1 -21.370 -1.171 9.062
3 H3 GLY 1 3H GLY 1 -19.978 -1.450 9.876
4 HA2 GLY 1 1HA GLY 1 -19.097 -2.762 8.065
5 HA3 GLY 1 2HA GLY 1 -20.611 -2.482 7.186
6 H SER 2 H SER 2 -18.041 -1.806 6.201
7 HA SER 2 HA SER 2 -17.473 1.001 6.616
8 HB2 SER 2 1HB SER 2 -16.302 -0.906 4.572
9 HB3 SER 2 2HB SER 2 -15.632 0.656 5.090
10 HG SER 2 HG SER 2 -14.653 -1.126 6.178
11 H SER 3 H SER 3 -20.056 1.012 5.777
12 HA SER 3 HA SER 3 -20.540 1.166 2.982
13 HB2 SER 3 1HB SER 3 -22.035 2.514 5.262
14 HB3 SER 3 2HB SER 3 -22.641 2.263 3.613
15 HG SER 3 HG SER 3 -23.354 0.620 5.052
16 H GLY 4 H GLY 4 -19.625 2.529 1.596
17 HA2 GLY 4 1HA GLY 4 -18.982 4.486 0.560
18 HA3 GLY 4 2HA GLY 4 -19.723 5.419 1.861
19 H SER 5 H SER 5 -17.488 3.190 3.163
20 HA SER 5 HA SER 5 -15.253 5.175 3.181
21 HB2 SER 5 1HB SER 5 -14.960 4.756 5.569
22 HB3 SER 5 2HB SER 5 -16.558 5.423 5.209
23 HG SER 5 HG SER 5 -16.663 3.670 6.679
24 H SER 6 H SER 6 -15.947 2.103 2.207
25 HA SER 6 HA SER 6 -13.642 0.640 3.101
26 HB2 SER 6 1HB SER 6 -14.190 -0.875 1.202
27 HB3 SER 6 2HB SER 6 -15.548 -0.551 2.293
28 HG SER 6 HG SER 6 -16.155 -0.413 0.078
29 H GLY 7 H GLY 7 -11.728 0.133 2.055
30 HA2 GLY 7 1HA GLY 7 -10.635 2.277 0.294
31 HA3 GLY 7 2HA GLY 7 -9.733 1.236 1.378
32 H ILE 8 H ILE 8 -8.862 1.676 -1.140
33 HA ILE 8 HA ILE 8 -9.481 -0.693 -2.828
34 HB ILE 8 HB ILE 8 -7.452 1.528 -3.249
35 HG12 ILE 8 1HG1 ILE 8 -9.625 2.567 -3.246
36 HG13 ILE 8 2HG1 ILE 8 -9.009 2.487 -4.882
37 HG21 ILE 8 1HG2 ILE 8 -8.521 -0.622 -5.133
38 HG22 ILE 8 2HG2 ILE 8 -7.520 0.760 -5.628
39 HG23 ILE 8 3HG2 ILE 8 -6.861 -0.453 -4.533
40 HD11 ILE 8 3HD1 ILE 8 -11.152 0.656 -3.706
41 HD12 ILE 8 1HD1 ILE 8 -11.404 2.001 -4.828
42 HD13 ILE 8 2HD1 ILE 8 -10.523 0.564 -5.369
43 H LYS 9 H LYS 9 -8.845 -2.390 -1.484
44 HA LYS 9 HA LYS 9 -6.545 -2.455 0.099
45 HB2 LYS 9 1HB LYS 9 -6.933 -4.825 0.396
46 HB3 LYS 9 2HB LYS 9 -8.444 -3.919 0.452
47 HG2 LYS 9 1HG LYS 9 -8.924 -4.610 -1.915
48 HG3 LYS 9 2HG LYS 9 -7.427 -5.561 -1.917
49 HD2 LYS 9 1HD LYS 9 -8.290 -6.932 -0.039
50 HD3 LYS 9 2HD LYS 9 -9.791 -5.978 -0.036
51 HE2 LYS 9 1HE LYS 9 -10.223 -6.661 -2.390
52 HE3 LYS 9 2HE LYS 9 -8.734 -7.615 -2.388
53 HZ1 LYS 9 3HZ LYS 9 -10.674 -8.999 -1.924
54 HZ2 LYS 9 1HZ LYS 9 -11.074 -8.107 -0.619
55 HZ3 LYS 9 2HZ LYS 9 -9.698 -8.991 -0.618
56 H GLN 10 H GLN 10 -4.552 -3.276 0.051
57 HA GLN 10 HA GLN 10 -3.266 -4.237 -2.438
58 HB2 GLN 10 1HB GLN 10 -2.775 -1.506 -1.143
59 HB3 GLN 10 2HB GLN 10 -1.561 -2.292 -2.140
60 HG2 GLN 10 1HG GLN 10 -4.286 -1.459 -3.157
61 HG3 GLN 10 2HG GLN 10 -2.770 -0.607 -3.389
62 HE21 GLN 10 1HE2 GLN 10 -4.669 -3.379 -4.415
63 HE22 GLN 10 2HE2 GLN 10 -3.581 -3.845 -5.728
64 H HIS 11 H HIS 11 -0.766 -4.305 -1.991
65 HA HIS 11 HA HIS 11 -0.101 -4.682 0.851
66 HB2 HIS 11 1HB HIS 11 1.121 -6.711 0.505
67 HB3 HIS 11 2HB HIS 11 -0.535 -6.966 -0.027
68 HD1 HIS 11 1HD HIS 11 2.996 -6.394 -1.570
69 HD2 HIS 11 2HD HIS 11 -0.878 -7.747 -2.541
70 HE1 HIS 11 1HE HIS 11 3.154 -7.415 -3.898
71 H CYS 12 H CYS 12 2.096 -4.303 1.339
72 HA CYS 12 HA CYS 12 3.408 -2.314 -0.222
73 HB2 CYS 12 1HB CYS 12 3.586 -2.577 2.224
74 HB3 CYS 12 2HB CYS 12 4.490 -4.082 1.995
75 H ARG 13 H ARG 13 5.200 -2.324 -1.385
76 HA ARG 13 HA ARG 13 5.876 -4.840 -2.874
77 HB2 ARG 13 1HB ARG 13 5.902 -1.906 -3.669
78 HB3 ARG 13 2HB ARG 13 6.603 -3.186 -4.671
79 HG2 ARG 13 1HG ARG 13 4.506 -4.278 -4.987
80 HG3 ARG 13 2HG ARG 13 3.710 -3.341 -3.719
81 HD2 ARG 13 1HD ARG 13 3.862 -1.292 -5.034
82 HD3 ARG 13 2HD ARG 13 4.814 -2.120 -6.268
83 HE ARG 13 HE ARG 13 2.903 -2.967 -7.201
84 HH11 ARG 13 2HH1 ARG 13 1.900 -2.069 -3.929
85 HH12 ARG 13 1HH1 ARG 13 0.212 -2.164 -4.395
86 HH21 ARG 13 1HH2 ARG 13 0.704 -3.113 -7.586
87 HH22 ARG 13 2HH2 ARG 13 -0.407 -2.739 -6.280
88 H PHE 14 H PHE 14 7.063 -3.126 -0.388
89 HA PHE 14 HA PHE 14 9.914 -3.825 -1.010
90 HB2 PHE 14 1HB PHE 14 8.912 -1.543 0.700
91 HB3 PHE 14 2HB PHE 14 10.579 -1.879 0.273
92 HD1 PHE 14 2HD PHE 14 11.377 -1.509 -2.086
93 HD2 PHE 14 1HD PHE 14 7.406 -0.393 -0.823
94 HE1 PHE 14 2HE PHE 14 11.118 -0.109 -4.122
95 HE2 PHE 14 1HE PHE 14 7.153 1.007 -2.859
96 HZ PHE 14 HZ PHE 14 9.003 1.139 -4.517
97 H CYS 15 H CYS 15 7.353 -3.859 1.474
98 HA CYS 15 HA CYS 15 8.977 -5.834 2.975
99 HB2 CYS 15 1HB CYS 15 8.570 -4.873 5.071
100 HB3 CYS 15 2HB CYS 15 9.263 -3.642 4.032
101 H LYS 16 H LYS 16 6.378 -5.689 1.230
102 HA LYS 16 HA LYS 16 4.541 -6.948 0.893
103 HB2 LYS 16 1HB LYS 16 6.150 -8.957 2.484
104 HB3 LYS 16 2HB LYS 16 4.804 -9.331 1.403
105 HG2 LYS 16 1HG LYS 16 6.043 -8.305 -0.501
106 HG3 LYS 16 2HG LYS 16 7.435 -8.038 0.568
107 HD2 LYS 16 1HD LYS 16 7.584 -10.475 0.992
108 HD3 LYS 16 2HD LYS 16 6.193 -10.747 -0.083
109 HE2 LYS 16 1HE LYS 16 7.457 -9.726 -1.966
110 HE3 LYS 16 2HE LYS 16 8.841 -9.463 -0.899
111 HZ1 LYS 16 3HZ LYS 16 8.993 -11.883 -0.612
112 HZ2 LYS 16 1HZ LYS 16 9.098 -11.501 -2.194
113 HZ3 LYS 16 2HZ LYS 16 7.712 -12.124 -1.599
114 H LYS 17 H LYS 17 4.458 -5.492 3.670
115 HA LYS 17 HA LYS 17 2.445 -6.919 5.171
116 HB2 LYS 17 1HB LYS 17 3.092 -3.945 5.029
117 HB3 LYS 17 2HB LYS 17 2.014 -4.698 6.216
118 HG2 LYS 17 1HG LYS 17 3.846 -6.003 7.161
119 HG3 LYS 17 2HG LYS 17 4.940 -5.468 5.875
120 HD2 LYS 17 1HD LYS 17 4.667 -3.097 6.669
121 HD3 LYS 17 2HD LYS 17 3.679 -3.694 8.006
122 HE2 LYS 17 1HE LYS 17 5.976 -3.277 8.732
123 HE3 LYS 17 2HE LYS 17 5.576 -4.992 8.882
124 HZ1 LYS 17 3HZ LYS 17 6.838 -5.450 6.910
125 HZ2 LYS 17 1HZ LYS 17 7.798 -4.511 7.846
126 HZ3 LYS 17 2HZ LYS 17 7.026 -3.882 6.530
127 H LYS 18 H LYS 18 0.231 -6.791 5.166
128 HA LYS 18 HA LYS 18 -1.120 -5.952 2.700
129 HB2 LYS 18 1HB LYS 18 -1.632 -8.040 3.957
130 HB3 LYS 18 2HB LYS 18 -2.254 -7.063 5.295
131 HG2 LYS 18 1HG LYS 18 -3.986 -6.103 3.787
132 HG3 LYS 18 2HG LYS 18 -3.347 -7.042 2.433
133 HD2 LYS 18 1HD LYS 18 -4.534 -8.208 4.993
134 HD3 LYS 18 2HD LYS 18 -5.399 -8.009 3.463
135 HE2 LYS 18 1HE LYS 18 -3.761 -9.511 2.337
136 HE3 LYS 18 2HE LYS 18 -2.924 -9.747 3.876
137 HZ1 LYS 18 3HZ LYS 18 -4.489 -11.547 3.444
138 HZ2 LYS 18 1HZ LYS 18 -5.746 -10.512 3.344
139 HZ3 LYS 18 2HZ LYS 18 -4.971 -10.725 4.768
140 H TYR 19 H TYR 19 -2.484 -4.261 2.395
141 HA TYR 19 HA TYR 19 -2.927 -2.304 4.596
142 HB2 TYR 19 1HB TYR 19 -1.479 -1.899 2.013
143 HB3 TYR 19 2HB TYR 19 -2.625 -0.651 2.475
144 HD1 TYR 19 2HD TYR 19 0.418 -2.485 3.649
145 HD2 TYR 19 1HD TYR 19 -2.236 0.858 4.265
146 HE1 TYR 19 2HE TYR 19 1.907 -1.636 5.456
147 HE2 TYR 19 1HE TYR 19 -0.744 1.713 6.065
148 HH TYR 19 HH TYR 19 2.175 -0.088 7.114
149 H SER 20 H SER 20 -4.776 -1.216 4.640
150 HA SER 20 HA SER 20 -7.087 -2.418 3.460
151 HB2 SER 20 1HB SER 20 -8.257 -0.559 4.674
152 HB3 SER 20 2HB SER 20 -7.148 -1.504 5.681
153 HG SER 20 HG SER 20 -6.931 0.770 5.991
154 H ASP 21 H ASP 21 -5.162 0.346 2.489
155 HA ASP 21 HA ASP 21 -6.864 0.822 0.132
156 HB2 ASP 21 1HB ASP 21 -7.867 2.211 1.914
157 HB3 ASP 21 2HB ASP 21 -6.298 2.950 2.225
158 H VAL 22 H VAL 22 -5.761 1.764 -1.595
159 HA VAL 22 HA VAL 22 -2.948 1.560 -1.670
160 HB VAL 22 HB VAL 22 -4.439 1.390 -3.589
161 HG11 VAL 22 1HG1 VAL 22 -5.885 3.373 -3.249
162 HG12 VAL 22 2HG1 VAL 22 -4.513 4.413 -3.721
163 HG13 VAL 22 3HG1 VAL 22 -5.206 3.264 -4.877
164 HG21 VAL 22 3HG2 VAL 22 -1.992 1.671 -3.876
165 HG22 VAL 22 1HG2 VAL 22 -2.934 2.287 -5.245
166 HG23 VAL 22 2HG2 VAL 22 -2.242 3.418 -4.068
167 H LYS 23 H LYS 23 -4.914 4.446 -0.858
168 HA LYS 23 HA LYS 23 -2.596 6.166 -1.216
169 HB2 LYS 23 1HB LYS 23 -5.221 6.838 0.199
170 HB3 LYS 23 2HB LYS 23 -3.939 7.954 -0.209
171 HG2 LYS 23 1HG LYS 23 -5.347 8.392 -1.940
172 HG3 LYS 23 2HG LYS 23 -4.301 7.191 -2.683
173 HD2 LYS 23 1HD LYS 23 -6.565 6.704 -3.318
174 HD3 LYS 23 2HD LYS 23 -6.076 5.452 -2.182
175 HE2 LYS 23 1HE LYS 23 -7.206 6.830 -0.347
176 HE3 LYS 23 2HE LYS 23 -7.865 7.850 -1.635
177 HZ1 LYS 23 3HZ LYS 23 -8.892 5.783 -2.549
178 HZ2 LYS 23 1HZ LYS 23 -9.425 6.108 -1.038
179 HZ3 LYS 23 2HZ LYS 23 -8.318 4.930 -1.259
180 H ASN 24 H ASN 24 -4.241 4.569 1.466
181 HA ASN 24 HA ASN 24 -2.583 5.448 3.635
182 HB2 ASN 24 1HB ASN 24 -4.784 4.208 3.784
183 HB3 ASN 24 2HB ASN 24 -3.958 2.750 3.237
184 HD21 ASN 24 2HD2 ASN 24 -4.880 1.886 5.313
185 HD22 ASN 24 1HD2 ASN 24 -3.933 2.176 6.761
186 H LEU 25 H LEU 25 -2.204 2.698 1.324
187 HA LEU 25 HA LEU 25 0.308 1.840 2.351
188 HB2 LEU 25 1HB LEU 25 -1.071 0.422 0.921
189 HB3 LEU 25 2HB LEU 25 -0.916 1.560 -0.416
190 HG LEU 25 HG LEU 25 1.517 1.141 -0.523
191 HD11 LEU 25 1HD1 LEU 25 2.587 -0.616 0.709
192 HD12 LEU 25 2HD1 LEU 25 1.062 -1.106 1.483
193 HD13 LEU 25 3HD1 LEU 25 1.841 0.430 1.898
194 HD21 LEU 25 3HD2 LEU 25 -0.096 -1.416 -0.604
195 HD22 LEU 25 1HD2 LEU 25 1.414 -1.067 -1.477
196 HD23 LEU 25 2HD2 LEU 25 -0.061 -0.176 -1.887
197 H ILE 26 H ILE 26 -0.398 4.239 -0.275
198 HA ILE 26 HA ILE 26 2.338 4.747 -0.920
199 HB ILE 26 HB ILE 26 -0.178 6.407 -1.199
200 HG12 ILE 26 1HG1 ILE 26 1.625 5.166 -3.331
201 HG13 ILE 26 2HG1 ILE 26 0.321 4.259 -2.588
202 HG21 ILE 26 1HG2 ILE 26 1.140 7.941 -2.685
203 HG22 ILE 26 2HG2 ILE 26 1.639 8.046 -1.007
204 HG23 ILE 26 3HG2 ILE 26 2.629 7.126 -2.164
205 HD11 ILE 26 3HD1 ILE 26 -0.011 6.803 -4.229
206 HD12 ILE 26 1HD1 ILE 26 -0.456 5.153 -4.686
207 HD13 ILE 26 2HD1 ILE 26 -1.325 5.963 -3.369
208 H LYS 27 H LYS 27 0.287 6.212 1.633
209 HA LYS 27 HA LYS 27 2.314 7.975 2.680
210 HB2 LYS 27 1HB LYS 27 -0.094 6.638 3.977
211 HB3 LYS 27 2HB LYS 27 0.956 7.785 4.815
212 HG2 LYS 27 1HG LYS 27 0.427 9.555 3.228
213 HG3 LYS 27 2HG LYS 27 -0.465 8.443 2.199
214 HD2 LYS 27 1HD LYS 27 -2.042 9.772 3.471
215 HD3 LYS 27 2HD LYS 27 -2.148 8.082 3.944
216 HE2 LYS 27 1HE LYS 27 -2.323 9.406 5.929
217 HE3 LYS 27 2HE LYS 27 -0.771 8.571 5.978
218 HZ1 LYS 27 3HZ LYS 27 0.285 10.659 5.244
219 HZ2 LYS 27 1HZ LYS 27 -0.571 10.918 6.607
220 HZ3 LYS 27 2HZ LYS 27 -1.165 11.413 5.173
221 H HIS 28 H HIS 28 1.604 4.540 3.508
222 HA HIS 28 HA HIS 28 3.726 4.220 5.402
223 HB2 HIS 28 1HB HIS 28 2.120 2.518 5.312
224 HB3 HIS 28 2HB HIS 28 2.236 2.322 3.576
225 HD1 HIS 28 1HD HIS 28 4.325 1.477 6.711
226 HD2 HIS 28 2HD HIS 28 4.031 0.634 2.607
227 HE1 HIS 28 1HE HIS 28 5.967 -0.395 6.275
228 H ILE 29 H ILE 29 3.766 3.732 1.834
229 HA ILE 29 HA ILE 29 6.490 2.919 1.677
230 HB ILE 29 HB ILE 29 4.644 4.207 -0.361
231 HG12 ILE 29 1HG1 ILE 29 5.689 1.340 -0.189
232 HG13 ILE 29 2HG1 ILE 29 4.179 1.840 0.548
233 HG21 ILE 29 1HG2 ILE 29 6.287 3.506 -2.103
234 HG22 ILE 29 2HG2 ILE 29 6.956 4.727 -1.043
235 HG23 ILE 29 3HG2 ILE 29 7.419 3.020 -0.827
236 HD11 ILE 29 3HD1 ILE 29 4.795 1.900 -2.430
237 HD12 ILE 29 1HD1 ILE 29 3.695 0.817 -1.573
238 HD13 ILE 29 2HD1 ILE 29 3.316 2.550 -1.683
239 H ARG 30 H ARG 30 5.105 6.227 1.318
240 HA ARG 30 HA ARG 30 7.678 7.521 1.005
241 HB2 ARG 30 1HB ARG 30 4.929 8.536 1.853
242 HB3 ARG 30 2HB ARG 30 6.320 9.593 1.576
243 HG2 ARG 30 1HG ARG 30 6.487 8.907 -0.751
244 HG3 ARG 30 2HG ARG 30 5.201 7.706 -0.547
245 HD2 ARG 30 1HD ARG 30 3.595 9.495 0.007
246 HD3 ARG 30 2HD ARG 30 4.874 10.714 -0.204
247 HE ARG 30 HE ARG 30 4.804 9.220 -2.584
248 HH11 ARG 30 2HH1 ARG 30 2.598 11.376 -0.925
249 HH12 ARG 30 1HH1 ARG 30 1.794 11.837 -2.400
250 HH21 ARG 30 2HH2 ARG 30 3.740 9.856 -4.429
251 HH22 ARG 30 1HH2 ARG 30 2.434 10.999 -4.330
252 H ASP 31 H ASP 31 5.928 6.587 3.927
253 HA ASP 31 HA ASP 31 7.672 8.152 5.671
254 HB2 ASP 31 1HB ASP 31 5.308 7.669 6.191
255 HB3 ASP 31 2HB ASP 31 5.687 5.948 6.317
256 H MET 32 H MET 32 7.520 4.689 4.727
257 HA MET 32 HA MET 32 9.825 4.117 6.528
258 HB2 MET 32 1HB MET 32 7.828 2.216 5.252
259 HB3 MET 32 2HB MET 32 9.116 1.798 6.384
260 HG2 MET 32 1HG MET 32 8.001 3.567 7.960
261 HG3 MET 32 2HG MET 32 6.608 3.398 6.889
262 HE1 MET 32 3HE MET 32 8.267 0.187 9.794
263 HE2 MET 32 1HE MET 32 9.238 0.733 8.412
264 HE3 MET 32 2HE MET 32 8.801 1.879 9.701
265 H HIS 33 H HIS 33 9.222 4.264 3.089
266 HA HIS 33 HA HIS 33 11.777 2.765 2.578
267 HB2 HIS 33 1HB HIS 33 9.282 2.740 0.855
268 HB3 HIS 33 2HB HIS 33 10.744 1.789 0.631
269 HD1 HIS 33 1HD HIS 33 11.067 0.531 3.526
270 HD2 HIS 33 2HD HIS 33 7.466 0.982 1.418
271 HE1 HIS 33 1HE HIS 33 9.479 -1.189 4.502
272 H ASP 34 H ASP 34 9.620 5.306 1.351
273 HA ASP 34 HA ASP 34 9.844 6.930 -0.202
274 HB2 ASP 34 1HB ASP 34 10.734 7.819 1.902
275 HB3 ASP 34 2HB ASP 34 12.365 7.405 1.395
276 HA PRO 35 HA PRO 35 12.817 4.426 -2.819
277 HB2 PRO 35 1HB PRO 35 11.134 3.720 -4.874
278 HB3 PRO 35 2HB PRO 35 11.237 2.840 -3.319
279 HG2 PRO 35 1HG PRO 35 9.243 4.998 -4.098
280 HG3 PRO 35 2HG PRO 35 8.902 3.393 -3.380
281 HD2 PRO 35 1HD PRO 35 9.047 5.596 -1.832
282 HD3 PRO 35 2HD PRO 35 9.750 4.048 -1.271
283 H GLN 36 H GLN 36 14.181 5.404 -4.112
284 HA GLN 36 HA GLN 36 13.379 7.504 -6.047
285 HB2 GLN 36 1HB GLN 36 14.802 9.176 -4.990
286 HB3 GLN 36 2HB GLN 36 13.576 8.600 -3.872
287 HG2 GLN 36 1HG GLN 36 15.393 7.009 -2.921
288 HG3 GLN 36 2HG GLN 36 16.551 7.948 -3.865
289 HE21 GLN 36 1HE2 GLN 36 14.064 8.148 -1.287
290 HE22 GLN 36 2HE2 GLN 36 14.704 9.613 -0.555
291 H ASP 37 H ASP 37 14.916 4.765 -5.950
292 HA ASP 37 HA ASP 37 17.570 5.440 -7.018
293 HB2 ASP 37 1HB ASP 37 17.275 3.545 -5.497
294 HB3 ASP 37 2HB ASP 37 16.158 2.782 -6.623
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -20.359 -21.639 -1.864
2 H2 GLY 1 2H GLY 1 -18.945 -22.431 -2.100
3 H3 GLY 1 3H GLY 1 -19.847 -21.958 -3.385
4 HA2 GLY 1 1HA GLY 1 -18.511 -20.149 -1.478
5 HA3 GLY 1 2HA GLY 1 -17.945 -20.502 -3.120
6 H SER 2 H SER 2 -18.374 -17.904 -2.376
7 HA SER 2 HA SER 2 -20.975 -16.860 -2.936
8 HB2 SER 2 1HB SER 2 -18.269 -15.486 -3.137
9 HB3 SER 2 2HB SER 2 -19.849 -14.689 -3.029
10 HG SER 2 HG SER 2 -18.806 -14.833 -0.983
11 H SER 3 H SER 3 -21.776 -15.691 -4.718
12 HA SER 3 HA SER 3 -21.238 -16.787 -7.298
13 HB2 SER 3 1HB SER 3 -22.800 -14.274 -6.601
14 HB3 SER 3 2HB SER 3 -22.955 -15.241 -8.076
15 HG SER 3 HG SER 3 -23.731 -16.968 -6.818
16 H GLY 4 H GLY 4 -19.688 -14.147 -5.722
17 HA2 GLY 4 1HA GLY 4 -17.831 -13.724 -7.865
18 HA3 GLY 4 2HA GLY 4 -18.945 -12.357 -7.743
19 H SER 5 H SER 5 -16.291 -11.912 -7.342
20 HA SER 5 HA SER 5 -16.148 -11.005 -4.548
21 HB2 SER 5 1HB SER 5 -13.958 -12.042 -4.134
22 HB3 SER 5 2HB SER 5 -15.217 -13.260 -4.384
23 HG SER 5 HG SER 5 -13.300 -13.756 -5.544
24 H SER 6 H SER 6 -14.278 -9.636 -4.128
25 HA SER 6 HA SER 6 -12.938 -8.391 -6.479
26 HB2 SER 6 1HB SER 6 -14.318 -6.868 -4.230
27 HB3 SER 6 2HB SER 6 -13.226 -6.155 -5.425
28 HG SER 6 HG SER 6 -15.702 -7.465 -5.964
29 H GLY 7 H GLY 7 -10.870 -7.538 -6.027
30 HA2 GLY 7 1HA GLY 7 -9.370 -8.921 -4.016
31 HA3 GLY 7 2HA GLY 7 -8.780 -7.628 -5.062
32 H ILE 8 H ILE 8 -10.272 -5.498 -4.300
33 HA ILE 8 HA ILE 8 -10.362 -3.711 -2.971
34 HB ILE 8 HB ILE 8 -10.736 -5.664 -0.689
35 HG12 ILE 8 1HG1 ILE 8 -12.392 -6.169 -2.375
36 HG13 ILE 8 2HG1 ILE 8 -13.146 -5.370 -1.015
37 HG21 ILE 8 1HG2 ILE 8 -10.284 -3.465 0.200
38 HG22 ILE 8 2HG2 ILE 8 -11.418 -2.708 -0.935
39 HG23 ILE 8 3HG2 ILE 8 -12.012 -3.778 0.352
40 HD11 ILE 8 3HD1 ILE 8 -14.099 -4.564 -3.107
41 HD12 ILE 8 1HD1 ILE 8 -13.239 -3.235 -2.317
42 HD13 ILE 8 2HD1 ILE 8 -12.507 -4.076 -3.706
43 H LYS 9 H LYS 9 -8.280 -5.990 -1.150
44 HA LYS 9 HA LYS 9 -6.752 -3.823 0.061
45 HB2 LYS 9 1HB LYS 9 -6.290 -6.837 0.089
46 HB3 LYS 9 2HB LYS 9 -5.442 -5.648 1.088
47 HG2 LYS 9 1HG LYS 9 -7.667 -4.955 2.056
48 HG3 LYS 9 2HG LYS 9 -8.423 -6.289 1.176
49 HD2 LYS 9 1HD LYS 9 -7.006 -7.907 2.400
50 HD3 LYS 9 2HD LYS 9 -6.212 -6.563 3.261
51 HE2 LYS 9 1HE LYS 9 -8.404 -5.860 4.187
52 HE3 LYS 9 2HE LYS 9 -9.198 -7.193 3.340
53 HZ1 LYS 9 3HZ LYS 9 -7.862 -8.744 4.673
54 HZ2 LYS 9 1HZ LYS 9 -8.733 -7.771 5.648
55 HZ3 LYS 9 2HZ LYS 9 -7.136 -7.505 5.461
56 H GLN 10 H GLN 10 -4.495 -3.577 -0.019
57 HA GLN 10 HA GLN 10 -3.053 -4.393 -2.502
58 HB2 GLN 10 1HB GLN 10 -3.185 -1.581 -1.334
59 HB3 GLN 10 2HB GLN 10 -2.106 -2.090 -2.634
60 HG2 GLN 10 1HG GLN 10 -5.147 -2.142 -2.866
61 HG3 GLN 10 2HG GLN 10 -4.130 -0.802 -3.363
62 HE21 GLN 10 1HE2 GLN 10 -4.874 -4.250 -4.096
63 HE22 GLN 10 2HE2 GLN 10 -4.208 -4.158 -5.726
64 H HIS 11 H HIS 11 -0.652 -4.207 -2.237
65 HA HIS 11 HA HIS 11 0.213 -4.355 0.595
66 HB2 HIS 11 1HB HIS 11 1.356 -6.456 0.240
67 HB3 HIS 11 2HB HIS 11 -0.362 -6.627 -0.082
68 HD1 HIS 11 1HD HIS 11 -1.038 -7.215 -2.648
69 HD2 HIS 11 2HD HIS 11 3.065 -6.707 -1.853
70 HE1 HIS 11 1HE HIS 11 0.200 -8.073 -4.703
71 H CYS 12 H CYS 12 2.374 -4.178 1.055
72 HA CYS 12 HA CYS 12 3.827 -2.231 -0.465
73 HB2 CYS 12 1HB CYS 12 3.784 -2.371 1.979
74 HB3 CYS 12 2HB CYS 12 4.599 -3.947 1.914
75 H ARG 13 H ARG 13 5.466 -2.351 -1.784
76 HA ARG 13 HA ARG 13 6.270 -4.883 -3.039
77 HB2 ARG 13 1HB ARG 13 5.821 -2.756 -4.274
78 HB3 ARG 13 2HB ARG 13 7.222 -2.018 -3.491
79 HG2 ARG 13 1HG ARG 13 8.727 -3.610 -4.610
80 HG3 ARG 13 2HG ARG 13 7.332 -4.480 -5.289
81 HD2 ARG 13 1HD ARG 13 6.683 -2.435 -6.532
82 HD3 ARG 13 2HD ARG 13 8.087 -1.581 -5.852
83 HE ARG 13 HE ARG 13 9.063 -3.928 -7.085
84 HH11 ARG 13 2HH1 ARG 13 7.514 -0.979 -8.165
85 HH12 ARG 13 1HH1 ARG 13 8.251 -1.060 -9.743
86 HH21 ARG 13 2HH2 ARG 13 9.969 -3.972 -9.114
87 HH22 ARG 13 1HH2 ARG 13 9.606 -2.713 -10.257
88 H PHE 14 H PHE 14 7.443 -2.981 -0.423
89 HA PHE 14 HA PHE 14 10.235 -4.001 -0.726
90 HB2 PHE 14 1HB PHE 14 9.229 -1.689 0.929
91 HB3 PHE 14 2HB PHE 14 10.896 -2.070 0.540
92 HD1 PHE 14 2HD PHE 14 11.730 -1.768 -1.831
93 HD2 PHE 14 1HD PHE 14 7.804 -0.468 -0.608
94 HE1 PHE 14 2HE PHE 14 11.557 -0.358 -3.871
95 HE2 PHE 14 1HE PHE 14 7.637 0.944 -2.641
96 HZ PHE 14 HZ PHE 14 9.510 0.994 -4.281
97 H CYS 15 H CYS 15 7.547 -3.960 1.601
98 HA CYS 15 HA CYS 15 9.040 -5.932 3.242
99 HB2 CYS 15 1HB CYS 15 8.586 -4.850 5.285
100 HB3 CYS 15 2HB CYS 15 9.376 -3.700 4.218
101 H LYS 16 H LYS 16 6.492 -5.740 1.405
102 HA LYS 16 HA LYS 16 4.606 -6.925 1.081
103 HB2 LYS 16 1HB LYS 16 6.029 -8.926 2.850
104 HB3 LYS 16 2HB LYS 16 4.739 -9.284 1.696
105 HG2 LYS 16 1HG LYS 16 6.157 -8.385 -0.155
106 HG3 LYS 16 2HG LYS 16 7.491 -8.174 0.982
107 HD2 LYS 16 1HD LYS 16 6.146 -10.825 0.314
108 HD3 LYS 16 2HD LYS 16 7.678 -10.239 -0.355
109 HE2 LYS 16 1HE LYS 16 8.648 -10.164 1.942
110 HE3 LYS 16 2HE LYS 16 7.135 -10.805 2.595
111 HZ1 LYS 16 3HZ LYS 16 8.757 -12.572 2.239
112 HZ2 LYS 16 1HZ LYS 16 8.882 -12.220 0.651
113 HZ3 LYS 16 2HZ LYS 16 7.481 -12.811 1.251
114 H LYS 17 H LYS 17 4.526 -5.279 3.724
115 HA LYS 17 HA LYS 17 2.328 -6.441 5.219
116 HB2 LYS 17 1HB LYS 17 3.212 -3.545 4.886
117 HB3 LYS 17 2HB LYS 17 1.994 -4.123 6.038
118 HG2 LYS 17 1HG LYS 17 3.649 -5.461 7.227
119 HG3 LYS 17 2HG LYS 17 4.869 -5.125 5.989
120 HD2 LYS 17 1HD LYS 17 4.720 -2.676 6.561
121 HD3 LYS 17 2HD LYS 17 3.615 -3.088 7.873
122 HE2 LYS 17 1HE LYS 17 5.897 -2.765 8.703
123 HE3 LYS 17 2HE LYS 17 5.357 -4.423 8.979
124 HZ1 LYS 17 3HZ LYS 17 6.695 -5.159 7.150
125 HZ2 LYS 17 1HZ LYS 17 7.667 -4.195 8.045
126 HZ3 LYS 17 2HZ LYS 17 7.015 -3.657 6.629
127 H LYS 18 H LYS 18 0.136 -5.660 5.262
128 HA LYS 18 HA LYS 18 -0.937 -5.085 2.522
129 HB2 LYS 18 1HB LYS 18 -0.929 -7.480 3.339
130 HB3 LYS 18 2HB LYS 18 -2.074 -6.989 4.592
131 HG2 LYS 18 1HG LYS 18 -3.629 -6.192 2.748
132 HG3 LYS 18 2HG LYS 18 -2.489 -6.826 1.560
133 HD2 LYS 18 1HD LYS 18 -4.016 -8.396 3.680
134 HD3 LYS 18 2HD LYS 18 -4.373 -8.378 1.959
135 HE2 LYS 18 1HE LYS 18 -1.810 -9.481 3.206
136 HE3 LYS 18 2HE LYS 18 -3.215 -10.445 2.766
137 HZ1 LYS 18 3HZ LYS 18 -1.568 -8.893 0.842
138 HZ2 LYS 18 1HZ LYS 18 -2.900 -9.765 0.449
139 HZ3 LYS 18 2HZ LYS 18 -1.569 -10.512 1.015
140 H TYR 19 H TYR 19 -2.682 -3.818 2.295
141 HA TYR 19 HA TYR 19 -3.887 -2.468 4.674
142 HB2 TYR 19 1HB TYR 19 -2.714 -1.111 2.212
143 HB3 TYR 19 2HB TYR 19 -3.548 -0.305 3.532
144 HD1 TYR 19 2HD TYR 19 -0.442 -2.053 2.529
145 HD2 TYR 19 1HD TYR 19 -2.455 0.080 5.691
146 HE1 TYR 19 2HE TYR 19 1.701 -1.916 3.801
147 HE2 TYR 19 1HE TYR 19 -0.322 0.208 6.962
148 HH TYR 19 HH TYR 19 1.879 -0.406 7.046
149 H SER 20 H SER 20 -5.997 -1.800 4.430
150 HA SER 20 HA SER 20 -7.519 -2.815 2.144
151 HB2 SER 20 1HB SER 20 -8.450 -1.311 4.608
152 HB3 SER 20 2HB SER 20 -9.484 -2.151 3.434
153 HG SER 20 HG SER 20 -8.993 -3.407 5.330
154 H ASP 21 H ASP 21 -5.765 -0.088 2.330
155 HA ASP 21 HA ASP 21 -7.405 1.346 0.340
156 HB2 ASP 21 1HB ASP 21 -8.162 2.412 2.348
157 HB3 ASP 21 2HB ASP 21 -6.530 2.470 3.021
158 H VAL 22 H VAL 22 -6.203 2.337 -1.197
159 HA VAL 22 HA VAL 22 -3.413 1.654 -1.392
160 HB VAL 22 HB VAL 22 -5.059 1.817 -3.265
161 HG11 VAL 22 1HG1 VAL 22 -6.024 4.063 -2.770
162 HG12 VAL 22 2HG1 VAL 22 -4.482 4.798 -3.273
163 HG13 VAL 22 3HG1 VAL 22 -5.450 3.877 -4.434
164 HG21 VAL 22 3HG2 VAL 22 -2.458 3.321 -3.683
165 HG22 VAL 22 1HG2 VAL 22 -2.646 1.554 -3.645
166 HG23 VAL 22 2HG2 VAL 22 -3.422 2.499 -4.927
167 H LYS 23 H LYS 23 -5.055 4.651 -0.394
168 HA LYS 23 HA LYS 23 -2.699 6.264 -0.825
169 HB2 LYS 23 1HB LYS 23 -5.220 6.863 0.787
170 HB3 LYS 23 2HB LYS 23 -3.955 8.034 0.402
171 HG2 LYS 23 1HG LYS 23 -4.363 7.717 -2.018
172 HG3 LYS 23 2HG LYS 23 -5.645 6.541 -1.658
173 HD2 LYS 23 1HD LYS 23 -6.892 8.270 -0.401
174 HD3 LYS 23 2HD LYS 23 -5.661 9.473 -0.806
175 HE2 LYS 23 1HE LYS 23 -7.334 7.915 -2.837
176 HE3 LYS 23 2HE LYS 23 -7.742 9.524 -2.237
177 HZ1 LYS 23 3HZ LYS 23 -5.643 10.344 -3.168
178 HZ2 LYS 23 1HZ LYS 23 -6.567 9.679 -4.335
179 HZ3 LYS 23 2HZ LYS 23 -5.278 8.862 -3.760
180 H ASN 24 H ASN 24 -4.098 4.660 2.004
181 HA ASN 24 HA ASN 24 -2.091 5.413 3.927
182 HB2 ASN 24 1HB ASN 24 -4.047 3.098 3.674
183 HB3 ASN 24 2HB ASN 24 -2.835 3.122 4.952
184 HD21 ASN 24 1HD2 ASN 24 -5.579 5.029 3.624
185 HD22 ASN 24 2HD2 ASN 24 -5.908 5.823 5.168
186 H LEU 25 H LEU 25 -2.171 2.683 1.567
187 HA LEU 25 HA LEU 25 0.371 1.594 2.322
188 HB2 LEU 25 1HB LEU 25 -1.143 0.282 1.020
189 HB3 LEU 25 2HB LEU 25 -1.260 1.511 -0.232
190 HG LEU 25 HG LEU 25 1.084 1.129 -0.893
191 HD11 LEU 25 1HD1 LEU 25 2.350 -0.751 -0.065
192 HD12 LEU 25 2HD1 LEU 25 1.059 -1.219 1.053
193 HD13 LEU 25 3HD1 LEU 25 1.973 0.282 1.309
194 HD21 LEU 25 3HD2 LEU 25 0.742 -1.065 -1.909
195 HD22 LEU 25 1HD2 LEU 25 -0.742 -0.100 -1.976
196 HD23 LEU 25 2HD2 LEU 25 -0.583 -1.400 -0.769
197 H ILE 26 H ILE 26 -0.448 4.065 -0.195
198 HA ILE 26 HA ILE 26 2.246 4.511 -1.032
199 HB ILE 26 HB ILE 26 -0.238 6.246 -1.129
200 HG12 ILE 26 1HG1 ILE 26 1.329 4.862 -3.360
201 HG13 ILE 26 2HG1 ILE 26 0.009 4.074 -2.513
202 HG21 ILE 26 1HG2 ILE 26 1.002 7.717 -2.732
203 HG22 ILE 26 2HG2 ILE 26 1.665 7.806 -1.113
204 HG23 ILE 26 3HG2 ILE 26 2.498 6.840 -2.354
205 HD11 ILE 26 3HD1 ILE 26 -1.550 5.878 -3.237
206 HD12 ILE 26 1HD1 ILE 26 -0.234 6.591 -4.205
207 HD13 ILE 26 2HD1 ILE 26 -0.829 4.969 -4.581
208 H LYS 27 H LYS 27 0.375 6.134 1.592
209 HA LYS 27 HA LYS 27 2.531 7.837 2.418
210 HB2 LYS 27 1HB LYS 27 0.156 8.145 3.086
211 HB3 LYS 27 2HB LYS 27 0.237 6.676 4.077
212 HG2 LYS 27 1HG LYS 27 2.015 7.702 5.458
213 HG3 LYS 27 2HG LYS 27 1.966 9.167 4.457
214 HD2 LYS 27 1HD LYS 27 -0.404 9.515 5.147
215 HD3 LYS 27 2HD LYS 27 -0.314 8.082 6.182
216 HE2 LYS 27 1HE LYS 27 1.437 10.577 6.434
217 HE3 LYS 27 2HE LYS 27 0.003 10.245 7.409
218 HZ1 LYS 27 3HZ LYS 27 1.993 9.596 8.597
219 HZ2 LYS 27 1HZ LYS 27 2.500 8.607 7.405
220 HZ3 LYS 27 2HZ LYS 27 1.145 8.244 8.258
221 H HIS 28 H HIS 28 1.691 4.492 3.525
222 HA HIS 28 HA HIS 28 3.834 4.170 5.373
223 HB2 HIS 28 1HB HIS 28 2.215 2.455 5.345
224 HB3 HIS 28 2HB HIS 28 2.288 2.257 3.600
225 HD1 HIS 28 1HD HIS 28 4.510 1.479 6.670
226 HD2 HIS 28 2HD HIS 28 4.038 0.561 2.598
227 HE1 HIS 28 1HE HIS 28 6.203 -0.328 6.174
228 H ILE 29 H ILE 29 3.808 3.582 1.824
229 HA ILE 29 HA ILE 29 6.536 2.796 1.615
230 HB ILE 29 HB ILE 29 4.599 4.006 -0.381
231 HG12 ILE 29 1HG1 ILE 29 5.757 1.185 -0.235
232 HG13 ILE 29 2HG1 ILE 29 4.260 1.634 0.566
233 HG21 ILE 29 1HG2 ILE 29 6.221 3.327 -2.161
234 HG22 ILE 29 2HG2 ILE 29 6.819 4.627 -1.154
235 HG23 ILE 29 3HG2 ILE 29 7.415 2.964 -0.895
236 HD11 ILE 29 3HD1 ILE 29 3.278 2.309 -1.628
237 HD12 ILE 29 1HD1 ILE 29 4.744 1.705 -2.437
238 HD13 ILE 29 2HD1 ILE 29 3.716 0.592 -1.532
239 H ARG 30 H ARG 30 5.112 6.079 1.266
240 HA ARG 30 HA ARG 30 7.608 7.483 0.898
241 HB2 ARG 30 1HB ARG 30 4.941 8.354 2.110
242 HB3 ARG 30 2HB ARG 30 6.211 9.465 1.640
243 HG2 ARG 30 1HG ARG 30 5.227 7.598 -0.519
244 HG3 ARG 30 2HG ARG 30 4.091 8.803 0.083
245 HD2 ARG 30 1HD ARG 30 5.189 9.740 -1.803
246 HD3 ARG 30 2HD ARG 30 5.720 10.592 -0.360
247 HE ARG 30 HE ARG 30 7.901 9.731 -0.611
248 HH11 ARG 30 2HH1 ARG 30 5.894 8.222 -3.087
249 HH12 ARG 30 1HH1 ARG 30 7.300 7.702 -3.978
250 HH21 ARG 30 2HH2 ARG 30 9.547 9.036 -1.745
251 HH22 ARG 30 1HH2 ARG 30 9.340 8.147 -3.253
252 H ASP 31 H ASP 31 5.943 6.540 3.898
253 HA ASP 31 HA ASP 31 7.740 8.092 5.584
254 HB2 ASP 31 1HB ASP 31 5.635 5.974 6.154
255 HB3 ASP 31 2HB ASP 31 6.612 6.708 7.416
256 H MET 32 H MET 32 7.668 4.656 4.599
257 HA MET 32 HA MET 32 10.004 4.138 6.391
258 HB2 MET 32 1HB MET 32 7.999 2.192 5.201
259 HB3 MET 32 2HB MET 32 9.327 1.806 6.302
260 HG2 MET 32 1HG MET 32 8.267 3.551 7.905
261 HG3 MET 32 2HG MET 32 6.850 3.451 6.862
262 HE1 MET 32 3HE MET 32 8.431 0.130 9.683
263 HE2 MET 32 1HE MET 32 9.390 0.647 8.282
264 HE3 MET 32 2HE MET 32 9.044 1.795 9.596
265 H HIS 33 H HIS 33 9.308 4.231 2.972
266 HA HIS 33 HA HIS 33 11.918 2.851 2.408
267 HB2 HIS 33 1HB HIS 33 9.398 2.658 0.737
268 HB3 HIS 33 2HB HIS 33 10.888 1.746 0.542
269 HD1 HIS 33 1HD HIS 33 11.290 0.528 3.413
270 HD2 HIS 33 2HD HIS 33 7.600 0.974 1.470
271 HE1 HIS 33 1HE HIS 33 9.726 -1.144 4.510
272 H ASP 34 H ASP 34 9.624 5.307 1.325
273 HA ASP 34 HA ASP 34 9.691 6.999 -0.146
274 HB2 ASP 34 1HB ASP 34 10.773 7.778 1.921
275 HB3 ASP 34 2HB ASP 34 12.340 7.437 1.227
276 HA PRO 35 HA PRO 35 12.496 5.028 -3.359
277 HB2 PRO 35 1HB PRO 35 10.674 3.905 -5.028
278 HB3 PRO 35 2HB PRO 35 11.153 3.125 -3.488
279 HG2 PRO 35 1HG PRO 35 8.733 4.905 -3.989
280 HG3 PRO 35 2HG PRO 35 8.762 3.273 -3.247
281 HD2 PRO 35 1HD PRO 35 8.789 5.538 -1.731
282 HD3 PRO 35 2HD PRO 35 9.722 4.083 -1.262
283 H GLN 36 H GLN 36 12.844 5.654 -5.572
284 HA GLN 36 HA GLN 36 11.159 7.746 -6.770
285 HB2 GLN 36 1HB GLN 36 12.806 8.938 -5.340
286 HB3 GLN 36 2HB GLN 36 14.129 8.141 -6.205
287 HG2 GLN 36 1HG GLN 36 13.414 9.248 -8.313
288 HG3 GLN 36 2HG GLN 36 12.054 9.992 -7.469
289 HE21 GLN 36 1HE2 GLN 36 13.453 11.833 -8.690
290 HE22 GLN 36 2HE2 GLN 36 14.581 12.646 -7.613
291 H ASP 37 H ASP 37 11.078 7.569 -8.882
292 HA ASP 37 HA ASP 37 11.104 6.636 -10.943
293 HB2 ASP 37 1HB ASP 37 12.907 8.266 -11.065
294 HB3 ASP 37 2HB ASP 37 14.085 7.043 -10.605
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 1.457 10.078 -10.967
2 H2 GLY 1 2H GLY 1 2.727 10.505 -11.907
3 H3 GLY 1 3H GLY 1 2.673 10.981 -10.341
4 HA2 GLY 1 1HA GLY 1 4.238 9.170 -10.595
5 HA3 GLY 1 2HA GLY 1 2.870 8.723 -9.558
6 H SER 2 H SER 2 4.645 6.981 -11.155
7 HA SER 2 HA SER 2 3.137 6.021 -13.455
8 HB2 SER 2 1HB SER 2 4.930 4.305 -13.532
9 HB3 SER 2 2HB SER 2 5.538 5.970 -13.493
10 HG SER 2 HG SER 2 6.667 4.587 -12.032
11 H SER 3 H SER 3 3.166 5.183 -10.061
12 HA SER 3 HA SER 3 1.909 2.544 -10.423
13 HB2 SER 3 1HB SER 3 2.383 4.213 -7.929
14 HB3 SER 3 2HB SER 3 1.745 2.559 -7.958
15 HG SER 3 HG SER 3 4.208 3.258 -9.198
16 H GLY 4 H GLY 4 -0.228 2.118 -10.507
17 HA2 GLY 4 1HA GLY 4 -2.352 3.434 -9.237
18 HA3 GLY 4 2HA GLY 4 -2.164 4.221 -10.805
19 H SER 5 H SER 5 -4.479 3.203 -10.525
20 HA SER 5 HA SER 5 -6.083 1.737 -11.083
21 HB2 SER 5 1HB SER 5 -6.123 1.058 -13.412
22 HB3 SER 5 2HB SER 5 -5.595 2.724 -13.185
23 HG SER 5 HG SER 5 -3.918 0.478 -13.717
24 H SER 6 H SER 6 -4.233 0.464 -9.345
25 HA SER 6 HA SER 6 -3.757 -2.257 -10.089
26 HB2 SER 6 1HB SER 6 -4.013 -1.046 -7.310
27 HB3 SER 6 2HB SER 6 -3.229 -2.579 -7.726
28 HG SER 6 HG SER 6 -1.704 -0.887 -7.515
29 H GLY 7 H GLY 7 -4.653 -4.176 -9.165
30 HA2 GLY 7 1HA GLY 7 -7.571 -4.290 -8.812
31 HA3 GLY 7 2HA GLY 7 -6.423 -5.626 -8.735
32 H ILE 8 H ILE 8 -7.486 -6.418 -6.838
33 HA ILE 8 HA ILE 8 -7.768 -4.856 -4.434
34 HB ILE 8 HB ILE 8 -8.434 -6.948 -3.369
35 HG12 ILE 8 1HG1 ILE 8 -7.754 -8.341 -6.002
36 HG13 ILE 8 2HG1 ILE 8 -6.796 -8.460 -4.525
37 HG21 ILE 8 1HG2 ILE 8 -9.698 -6.684 -6.127
38 HG22 ILE 8 2HG2 ILE 8 -10.453 -7.288 -4.640
39 HG23 ILE 8 3HG2 ILE 8 -10.003 -5.588 -4.761
40 HD11 ILE 8 3HD1 ILE 8 -8.184 -10.417 -4.707
41 HD12 ILE 8 1HD1 ILE 8 -8.769 -9.442 -3.344
42 HD13 ILE 8 2HD1 ILE 8 -9.652 -9.446 -4.893
43 H LYS 9 H LYS 9 -4.915 -5.758 -5.672
44 HA LYS 9 HA LYS 9 -3.584 -6.917 -3.343
45 HB2 LYS 9 1HB LYS 9 -2.542 -6.015 -6.057
46 HB3 LYS 9 2HB LYS 9 -1.566 -6.806 -4.812
47 HG2 LYS 9 1HG LYS 9 -3.066 -8.779 -4.865
48 HG3 LYS 9 2HG LYS 9 -4.007 -8.028 -6.170
49 HD2 LYS 9 1HD LYS 9 -1.972 -7.935 -7.587
50 HD3 LYS 9 2HD LYS 9 -1.030 -8.719 -6.313
51 HE2 LYS 9 1HE LYS 9 -3.474 -9.941 -7.682
52 HE3 LYS 9 2HE LYS 9 -1.806 -10.233 -8.178
53 HZ1 LYS 9 3HZ LYS 9 -2.934 -10.948 -5.523
54 HZ2 LYS 9 1HZ LYS 9 -1.377 -11.177 -5.970
55 HZ3 LYS 9 2HZ LYS 9 -2.572 -11.992 -6.720
56 H GLN 10 H GLN 10 -4.496 -4.872 -2.160
57 HA GLN 10 HA GLN 10 -2.590 -2.620 -2.107
58 HB2 GLN 10 1HB GLN 10 -5.041 -3.306 -0.467
59 HB3 GLN 10 2HB GLN 10 -3.916 -2.030 0.008
60 HG2 GLN 10 1HG GLN 10 -5.747 -1.028 -1.163
61 HG3 GLN 10 2HG GLN 10 -4.266 -0.832 -2.087
62 HE21 GLN 10 1HE2 GLN 10 -4.257 -1.593 -4.255
63 HE22 GLN 10 2HE2 GLN 10 -5.595 -2.526 -4.926
64 H HIS 11 H HIS 11 -0.756 -4.119 -1.954
65 HA HIS 11 HA HIS 11 0.039 -4.299 0.881
66 HB2 HIS 11 1HB HIS 11 1.087 -6.439 0.662
67 HB3 HIS 11 2HB HIS 11 -0.606 -6.595 0.221
68 HD1 HIS 11 1HD HIS 11 2.868 -6.393 -1.543
69 HD2 HIS 11 2HD HIS 11 -1.107 -7.676 -2.127
70 HE1 HIS 11 1HE HIS 11 2.846 -7.693 -3.733
71 H CYS 12 H CYS 12 2.234 -4.142 1.287
72 HA CYS 12 HA CYS 12 3.726 -2.302 -0.280
73 HB2 CYS 12 1HB CYS 12 3.811 -2.647 2.167
74 HB3 CYS 12 2HB CYS 12 4.590 -4.216 1.908
75 H ARG 13 H ARG 13 5.573 -2.526 -1.411
76 HA ARG 13 HA ARG 13 6.203 -5.179 -2.655
77 HB2 ARG 13 1HB ARG 13 6.856 -4.028 -4.686
78 HB3 ARG 13 2HB ARG 13 5.182 -3.704 -4.254
79 HG2 ARG 13 1HG ARG 13 5.898 -1.474 -3.306
80 HG3 ARG 13 2HG ARG 13 7.542 -1.800 -3.901
81 HD2 ARG 13 1HD ARG 13 6.711 -1.932 -6.205
82 HD3 ARG 13 2HD ARG 13 5.037 -1.795 -5.632
83 HE ARG 13 HE ARG 13 6.805 0.446 -4.907
84 HH11 ARG 13 2HH1 ARG 13 4.508 -0.676 -7.339
85 HH12 ARG 13 1HH1 ARG 13 4.161 0.974 -7.841
86 HH21 ARG 13 2HH2 ARG 13 6.240 2.506 -5.669
87 HH22 ARG 13 1HH2 ARG 13 5.057 2.621 -6.956
88 H PHE 14 H PHE 14 7.320 -3.295 -0.333
89 HA PHE 14 HA PHE 14 10.202 -3.954 -0.864
90 HB2 PHE 14 1HB PHE 14 9.086 -1.762 0.891
91 HB3 PHE 14 2HB PHE 14 10.770 -2.039 0.496
92 HD1 PHE 14 2HD PHE 14 11.588 -1.597 -1.867
93 HD2 PHE 14 1HD PHE 14 7.633 -0.495 -0.548
94 HE1 PHE 14 2HE PHE 14 11.395 -0.005 -3.765
95 HE2 PHE 14 1HE PHE 14 7.452 1.110 -2.434
96 HZ PHE 14 HZ PHE 14 9.335 1.359 -4.044
97 H CYS 15 H CYS 15 7.575 -4.034 1.544
98 HA CYS 15 HA CYS 15 9.102 -6.061 3.072
99 HB2 CYS 15 1HB CYS 15 8.744 -5.055 5.153
100 HB3 CYS 15 2HB CYS 15 9.453 -3.843 4.105
101 H LYS 16 H LYS 16 6.542 -5.792 1.299
102 HA LYS 16 HA LYS 16 4.650 -6.943 0.920
103 HB2 LYS 16 1HB LYS 16 6.052 -9.027 2.606
104 HB3 LYS 16 2HB LYS 16 4.757 -9.326 1.438
105 HG2 LYS 16 1HG LYS 16 6.187 -8.344 -0.371
106 HG3 LYS 16 2HG LYS 16 7.526 -8.229 0.779
107 HD2 LYS 16 1HD LYS 16 6.115 -10.801 -0.046
108 HD3 LYS 16 2HD LYS 16 7.668 -10.223 -0.668
109 HE2 LYS 16 1HE LYS 16 8.621 -10.310 1.634
110 HE3 LYS 16 2HE LYS 16 7.083 -10.939 2.241
111 HZ1 LYS 16 3HZ LYS 16 8.650 -12.735 1.794
112 HZ2 LYS 16 1HZ LYS 16 8.799 -12.297 0.230
113 HZ3 LYS 16 2HZ LYS 16 7.375 -12.876 0.787
114 H LYS 17 H LYS 17 4.577 -5.481 3.732
115 HA LYS 17 HA LYS 17 2.425 -6.828 5.118
116 HB2 LYS 17 1HB LYS 17 3.296 -3.914 5.185
117 HB3 LYS 17 2HB LYS 17 2.142 -4.674 6.298
118 HG2 LYS 17 1HG LYS 17 3.856 -6.152 7.192
119 HG3 LYS 17 2HG LYS 17 5.005 -5.651 5.944
120 HD2 LYS 17 1HD LYS 17 4.886 -3.294 6.864
121 HD3 LYS 17 2HD LYS 17 3.909 -3.922 8.195
122 HE2 LYS 17 1HE LYS 17 6.244 -3.704 8.871
123 HE3 LYS 17 2HE LYS 17 5.765 -5.403 8.883
124 HZ1 LYS 17 3HZ LYS 17 6.926 -5.730 6.816
125 HZ2 LYS 17 1HZ LYS 17 7.968 -4.948 7.806
126 HZ3 LYS 17 2HZ LYS 17 7.195 -4.147 6.589
127 H LYS 18 H LYS 18 0.261 -6.322 5.259
128 HA LYS 18 HA LYS 18 -1.017 -5.363 2.754
129 HB2 LYS 18 1HB LYS 18 -1.992 -6.880 5.192
130 HB3 LYS 18 2HB LYS 18 -3.066 -6.347 3.884
131 HG2 LYS 18 1HG LYS 18 -1.741 -7.656 2.243
132 HG3 LYS 18 2HG LYS 18 -0.685 -8.229 3.548
133 HD2 LYS 18 1HD LYS 18 -2.632 -9.290 4.664
134 HD3 LYS 18 2HD LYS 18 -3.690 -8.724 3.351
135 HE2 LYS 18 1HE LYS 18 -2.341 -10.018 1.712
136 HE3 LYS 18 2HE LYS 18 -1.283 -10.577 3.015
137 HZ1 LYS 18 3HZ LYS 18 -4.191 -11.169 2.812
138 HZ2 LYS 18 1HZ LYS 18 -3.213 -11.685 4.015
139 HZ3 LYS 18 2HZ LYS 18 -2.989 -12.225 2.493
140 H TYR 19 H TYR 19 -2.564 -3.819 2.620
141 HA TYR 19 HA TYR 19 -3.262 -2.157 4.985
142 HB2 TYR 19 1HB TYR 19 -1.987 -1.225 2.405
143 HB3 TYR 19 2HB TYR 19 -3.107 -0.177 3.257
144 HD1 TYR 19 1HD TYR 19 -2.630 0.754 5.451
145 HD2 TYR 19 2HD TYR 19 0.225 -1.793 3.450
146 HE1 TYR 19 1HE TYR 19 -0.896 1.395 7.114
147 HE2 TYR 19 2HE TYR 19 1.953 -1.161 5.128
148 HH TYR 19 HH TYR 19 1.232 1.073 7.851
149 H SER 20 H SER 20 -5.249 -1.061 4.844
150 HA SER 20 HA SER 20 -7.270 -2.489 3.313
151 HB2 SER 20 1HB SER 20 -7.567 -0.104 5.170
152 HB3 SER 20 2HB SER 20 -8.859 -1.182 4.611
153 HG SER 20 HG SER 20 -8.100 -1.759 6.701
154 H ASP 21 H ASP 21 -5.435 0.275 2.545
155 HA ASP 21 HA ASP 21 -7.264 1.136 0.391
156 HB2 ASP 21 1HB ASP 21 -8.086 2.405 2.291
157 HB3 ASP 21 2HB ASP 21 -6.449 2.860 2.762
158 H VAL 22 H VAL 22 -6.235 2.221 -1.289
159 HA VAL 22 HA VAL 22 -3.437 1.683 -1.601
160 HB VAL 22 HB VAL 22 -5.096 1.669 -3.401
161 HG11 VAL 22 1HG1 VAL 22 -4.904 4.695 -3.467
162 HG12 VAL 22 2HG1 VAL 22 -5.753 3.648 -4.615
163 HG13 VAL 22 3HG1 VAL 22 -6.331 3.757 -2.949
164 HG21 VAL 22 3HG2 VAL 22 -2.745 3.478 -4.020
165 HG22 VAL 22 1HG2 VAL 22 -2.673 1.708 -3.877
166 HG23 VAL 22 2HG2 VAL 22 -3.639 2.454 -5.159
167 H LYS 23 H LYS 23 -5.099 4.656 -0.544
168 HA LYS 23 HA LYS 23 -2.733 6.253 -1.136
169 HB2 LYS 23 1HB LYS 23 -5.137 7.073 0.558
170 HB3 LYS 23 2HB LYS 23 -3.853 8.107 -0.030
171 HG2 LYS 23 1HG LYS 23 -5.407 8.606 -1.609
172 HG3 LYS 23 2HG LYS 23 -4.593 7.280 -2.426
173 HD2 LYS 23 1HD LYS 23 -6.961 6.991 -2.710
174 HD3 LYS 23 2HD LYS 23 -6.434 5.741 -1.583
175 HE2 LYS 23 1HE LYS 23 -7.167 7.242 0.321
176 HE3 LYS 23 2HE LYS 23 -7.817 8.368 -0.883
177 HZ1 LYS 23 3HZ LYS 23 -8.647 5.543 -0.465
178 HZ2 LYS 23 1HZ LYS 23 -9.255 6.509 -1.653
179 HZ3 LYS 23 2HZ LYS 23 -9.533 6.861 -0.079
180 H ASN 24 H ASN 24 -4.223 4.714 1.684
181 HA ASN 24 HA ASN 24 -2.227 5.458 3.624
182 HB2 ASN 24 1HB ASN 24 -4.082 3.048 3.419
183 HB3 ASN 24 2HB ASN 24 -3.038 3.363 4.801
184 HD21 ASN 24 1HD2 ASN 24 -5.653 3.145 5.370
185 HD22 ASN 24 2HD2 ASN 24 -6.314 4.734 5.723
186 H LEU 25 H LEU 25 -2.326 2.706 1.299
187 HA LEU 25 HA LEU 25 0.184 1.580 2.056
188 HB2 LEU 25 1HB LEU 25 -1.457 0.403 0.682
189 HB3 LEU 25 2HB LEU 25 -1.316 1.614 -0.587
190 HG LEU 25 HG LEU 25 1.043 0.953 -0.993
191 HD11 LEU 25 1HD1 LEU 25 1.898 -1.121 -0.032
192 HD12 LEU 25 2HD1 LEU 25 0.459 -1.285 0.998
193 HD13 LEU 25 3HD1 LEU 25 1.616 0.046 1.250
194 HD21 LEU 25 3HD2 LEU 25 0.527 -1.182 -2.058
195 HD22 LEU 25 1HD2 LEU 25 -0.800 -0.034 -2.283
196 HD23 LEU 25 2HD2 LEU 25 -0.950 -1.330 -1.074
197 H ILE 26 H ILE 26 -0.553 4.152 -0.376
198 HA ILE 26 HA ILE 26 2.180 4.574 -1.153
199 HB ILE 26 HB ILE 26 -0.285 6.329 -1.253
200 HG12 ILE 26 1HG1 ILE 26 1.363 5.054 -3.490
201 HG13 ILE 26 2HG1 ILE 26 0.023 4.220 -2.723
202 HG21 ILE 26 1HG2 ILE 26 1.011 7.874 -2.733
203 HG22 ILE 26 2HG2 ILE 26 1.613 7.883 -1.086
204 HG23 ILE 26 3HG2 ILE 26 2.495 6.981 -2.340
205 HD11 ILE 26 3HD1 ILE 26 -0.765 5.198 -4.765
206 HD12 ILE 26 1HD1 ILE 26 -1.523 6.053 -3.408
207 HD13 ILE 26 2HD1 ILE 26 -0.182 6.805 -4.308
208 H LYS 27 H LYS 27 0.259 6.104 1.491
209 HA LYS 27 HA LYS 27 2.418 7.724 2.471
210 HB2 LYS 27 1HB LYS 27 -0.069 6.583 3.808
211 HB3 LYS 27 2HB LYS 27 1.054 7.665 4.639
212 HG2 LYS 27 1HG LYS 27 0.673 9.444 3.047
213 HG3 LYS 27 2HG LYS 27 -0.324 8.404 2.022
214 HD2 LYS 27 1HD LYS 27 -1.960 8.137 3.876
215 HD3 LYS 27 2HD LYS 27 -1.006 9.231 4.884
216 HE2 LYS 27 1HE LYS 27 -2.244 9.958 2.185
217 HE3 LYS 27 2HE LYS 27 -3.008 10.267 3.746
218 HZ1 LYS 27 3HZ LYS 27 -0.419 11.431 2.870
219 HZ2 LYS 27 1HZ LYS 27 -1.111 11.683 4.332
220 HZ3 LYS 27 2HZ LYS 27 -1.836 12.228 2.978
221 H HIS 28 H HIS 28 1.634 4.299 3.204
222 HA HIS 28 HA HIS 28 3.695 3.905 5.159
223 HB2 HIS 28 1HB HIS 28 2.043 2.221 4.868
224 HB3 HIS 28 2HB HIS 28 2.364 2.052 3.157
225 HD1 HIS 28 1HD HIS 28 3.659 0.832 6.487
226 HD2 HIS 28 2HD HIS 28 4.497 0.599 2.383
227 HE1 HIS 28 1HE HIS 28 5.405 -0.993 6.250
228 H ILE 29 H ILE 29 3.836 3.729 1.561
229 HA ILE 29 HA ILE 29 6.652 3.119 1.450
230 HB ILE 29 HB ILE 29 4.766 4.335 -0.585
231 HG12 ILE 29 1HG1 ILE 29 5.945 1.526 -0.473
232 HG13 ILE 29 2HG1 ILE 29 4.392 1.927 0.240
233 HG21 ILE 29 1HG2 ILE 29 7.085 5.009 -1.153
234 HG22 ILE 29 2HG2 ILE 29 7.606 3.317 -1.030
235 HG23 ILE 29 3HG2 ILE 29 6.476 3.827 -2.297
236 HD11 ILE 29 3HD1 ILE 29 3.541 2.672 -1.980
237 HD12 ILE 29 1HD1 ILE 29 5.062 2.111 -2.717
238 HD13 ILE 29 2HD1 ILE 29 3.989 0.959 -1.910
239 H ARG 30 H ARG 30 4.919 6.274 1.416
240 HA ARG 30 HA ARG 30 7.253 7.946 1.270
241 HB2 ARG 30 1HB ARG 30 4.576 8.441 2.655
242 HB3 ARG 30 2HB ARG 30 5.796 9.662 2.406
243 HG2 ARG 30 1HG ARG 30 4.215 8.241 0.233
244 HG3 ARG 30 2HG ARG 30 4.032 9.903 0.767
245 HD2 ARG 30 1HD ARG 30 6.424 8.698 -0.668
246 HD3 ARG 30 2HD ARG 30 5.206 9.788 -1.348
247 HE ARG 30 HE ARG 30 6.359 11.089 0.898
248 HH11 ARG 30 2HH1 ARG 30 7.391 10.228 -2.379
249 HH12 ARG 30 1HH1 ARG 30 8.585 11.535 -2.347
250 HH21 ARG 30 2HH2 ARG 30 8.017 12.625 0.749
251 HH22 ARG 30 1HH2 ARG 30 8.910 12.714 -0.761
252 H ASP 31 H ASP 31 5.819 6.348 4.086
253 HA ASP 31 HA ASP 31 7.558 7.793 5.942
254 HB2 ASP 31 1HB ASP 31 5.187 7.175 6.398
255 HB3 ASP 31 2HB ASP 31 5.659 5.475 6.425
256 H MET 32 H MET 32 7.509 4.504 4.572
257 HA MET 32 HA MET 32 9.846 3.723 6.259
258 HB2 MET 32 1HB MET 32 7.772 2.077 4.769
259 HB3 MET 32 2HB MET 32 9.104 1.410 5.698
260 HG2 MET 32 1HG MET 32 6.880 3.149 6.822
261 HG3 MET 32 2HG MET 32 6.963 1.400 6.932
262 HE1 MET 32 3HE MET 32 10.026 0.750 7.699
263 HE2 MET 32 1HE MET 32 9.851 0.735 9.464
264 HE3 MET 32 2HE MET 32 8.577 0.031 8.445
265 H HIS 33 H HIS 33 9.065 4.194 2.842
266 HA HIS 33 HA HIS 33 11.626 2.854 2.070
267 HB2 HIS 33 1HB HIS 33 8.994 2.524 0.615
268 HB3 HIS 33 2HB HIS 33 10.497 1.658 0.321
269 HD1 HIS 33 1HD HIS 33 11.218 0.337 2.970
270 HD2 HIS 33 2HD HIS 33 7.269 0.986 1.694
271 HE1 HIS 33 1HE HIS 33 9.800 -1.335 4.251
272 H ASP 34 H ASP 34 10.751 5.815 2.184
273 HA ASP 34 HA ASP 34 10.359 6.684 -0.474
274 HB2 ASP 34 1HB ASP 34 10.569 8.886 0.323
275 HB3 ASP 34 2HB ASP 34 9.803 7.957 1.598
276 HA PRO 35 HA PRO 35 14.494 6.659 -2.139
277 HB2 PRO 35 1HB PRO 35 14.205 8.117 -4.408
278 HB3 PRO 35 2HB PRO 35 13.309 6.598 -4.136
279 HG2 PRO 35 1HG PRO 35 12.318 9.426 -3.601
280 HG3 PRO 35 2HG PRO 35 11.528 8.154 -4.590
281 HD2 PRO 35 1HD PRO 35 10.861 8.533 -1.976
282 HD3 PRO 35 2HD PRO 35 10.945 6.898 -2.687
283 H GLN 36 H GLN 36 14.639 8.085 0.070
284 HA GLN 36 HA GLN 36 15.366 9.842 1.251
285 HB2 GLN 36 1HB GLN 36 17.610 10.633 0.803
286 HB3 GLN 36 2HB GLN 36 17.448 8.884 0.743
287 HG2 GLN 36 1HG GLN 36 17.582 8.891 -1.699
288 HG3 GLN 36 2HG GLN 36 17.608 10.656 -1.731
289 HE21 GLN 36 1HE2 GLN 36 19.633 9.832 -3.080
290 HE22 GLN 36 2HE2 GLN 36 21.121 9.765 -2.143
291 H ASP 37 H ASP 37 13.272 10.717 0.305
292 HA ASP 37 HA ASP 37 13.667 13.327 -1.129
293 HB2 ASP 37 1HB ASP 37 12.686 11.696 -2.587
294 HB3 ASP 37 2HB ASP 37 11.491 11.236 -1.378
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -11.807 0.080 1.970
2 H2 GLY 1 2H GLY 1 -11.059 -0.571 0.662
3 H3 GLY 1 3H GLY 1 -10.168 -0.049 1.936
4 HA2 GLY 1 1HA GLY 1 -11.101 -1.739 3.367
5 HA3 GLY 1 2HA GLY 1 -12.051 -2.320 1.983
6 H SER 2 H SER 2 -9.882 -3.610 3.661
7 HA SER 2 HA SER 2 -7.473 -3.863 2.193
8 HB2 SER 2 1HB SER 2 -8.736 -5.895 4.068
9 HB3 SER 2 2HB SER 2 -7.022 -5.778 3.622
10 HG SER 2 HG SER 2 -7.514 -4.786 5.659
11 H SER 3 H SER 3 -6.648 -5.408 0.820
12 HA SER 3 HA SER 3 -8.498 -6.646 -1.045
13 HB2 SER 3 1HB SER 3 -5.469 -6.736 -0.840
14 HB3 SER 3 2HB SER 3 -6.422 -7.346 -2.208
15 HG SER 3 HG SER 3 -7.138 -5.295 -2.641
16 H GLY 4 H GLY 4 -8.281 -8.861 -1.835
17 HA2 GLY 4 1HA GLY 4 -6.914 -10.963 -0.625
18 HA3 GLY 4 2HA GLY 4 -8.463 -10.896 0.220
19 H SER 5 H SER 5 -9.785 -9.980 -2.413
20 HA SER 5 HA SER 5 -10.525 -12.629 -3.298
21 HB2 SER 5 1HB SER 5 -12.288 -11.399 -4.546
22 HB3 SER 5 2HB SER 5 -12.218 -11.035 -2.820
23 HG SER 5 HG SER 5 -11.296 -9.431 -4.979
24 H SER 6 H SER 6 -7.900 -12.267 -4.067
25 HA SER 6 HA SER 6 -6.409 -12.459 -5.761
26 HB2 SER 6 1HB SER 6 -8.795 -13.393 -7.383
27 HB3 SER 6 2HB SER 6 -7.092 -13.678 -7.765
28 HG SER 6 HG SER 6 -8.046 -15.452 -6.660
29 H GLY 7 H GLY 7 -6.004 -12.003 -8.286
30 HA2 GLY 7 1HA GLY 7 -5.676 -10.386 -9.927
31 HA3 GLY 7 2HA GLY 7 -7.033 -9.466 -9.282
32 H ILE 8 H ILE 8 -5.855 -7.501 -9.512
33 HA ILE 8 HA ILE 8 -3.358 -6.987 -8.152
34 HB ILE 8 HB ILE 8 -3.851 -4.605 -8.487
35 HG12 ILE 8 1HG1 ILE 8 -6.448 -5.508 -9.818
36 HG13 ILE 8 2HG1 ILE 8 -6.331 -4.661 -8.272
37 HG21 ILE 8 1HG2 ILE 8 -4.294 -6.272 -11.001
38 HG22 ILE 8 2HG2 ILE 8 -3.549 -4.664 -10.892
39 HG23 ILE 8 3HG2 ILE 8 -2.729 -6.055 -10.189
40 HD11 ILE 8 3HD1 ILE 8 -6.915 -3.065 -9.962
41 HD12 ILE 8 1HD1 ILE 8 -5.255 -2.724 -9.432
42 HD13 ILE 8 2HD1 ILE 8 -5.554 -3.541 -10.988
43 H LYS 9 H LYS 9 -2.901 -6.129 -6.174
44 HA LYS 9 HA LYS 9 -5.059 -5.767 -4.189
45 HB2 LYS 9 1HB LYS 9 -4.101 -7.567 -2.730
46 HB3 LYS 9 2HB LYS 9 -4.924 -8.110 -4.189
47 HG2 LYS 9 1HG LYS 9 -2.642 -8.428 -5.269
48 HG3 LYS 9 2HG LYS 9 -1.922 -8.053 -3.689
49 HD2 LYS 9 1HD LYS 9 -3.153 -9.974 -2.688
50 HD3 LYS 9 2HD LYS 9 -3.969 -10.261 -4.225
51 HE2 LYS 9 1HE LYS 9 -2.237 -11.888 -3.992
52 HE3 LYS 9 2HE LYS 9 -1.815 -10.795 -5.313
53 HZ1 LYS 9 3HZ LYS 9 0.052 -11.298 -3.763
54 HZ2 LYS 9 1HZ LYS 9 -0.748 -10.539 -2.546
55 HZ3 LYS 9 2HZ LYS 9 -0.250 -9.696 -3.859
56 H GLN 10 H GLN 10 -4.542 -4.918 -2.264
57 HA GLN 10 HA GLN 10 -2.413 -2.942 -2.345
58 HB2 GLN 10 1HB GLN 10 -4.598 -3.608 -0.345
59 HB3 GLN 10 2HB GLN 10 -3.519 -2.222 -0.182
60 HG2 GLN 10 1HG GLN 10 -4.413 -1.106 -2.053
61 HG3 GLN 10 2HG GLN 10 -5.146 -2.556 -2.724
62 HE21 GLN 10 1HE2 GLN 10 -6.860 -3.639 -1.161
63 HE22 GLN 10 2HE2 GLN 10 -7.969 -2.489 -0.405
64 H HIS 11 H HIS 11 -0.466 -4.093 -2.185
65 HA HIS 11 HA HIS 11 0.259 -4.952 0.576
66 HB2 HIS 11 1HB HIS 11 1.166 -6.269 -2.011
67 HB3 HIS 11 2HB HIS 11 1.849 -6.581 -0.424
68 HD1 HIS 11 1HD HIS 11 -1.865 -6.559 -0.081
69 HD2 HIS 11 2HD HIS 11 1.216 -9.159 -1.263
70 HE1 HIS 11 1HE HIS 11 -2.885 -8.907 -0.133
71 H CYS 12 H CYS 12 2.308 -4.314 1.254
72 HA CYS 12 HA CYS 12 3.682 -2.159 -0.040
73 HB2 CYS 12 1HB CYS 12 3.724 -2.566 2.362
74 HB3 CYS 12 2HB CYS 12 4.596 -4.093 2.104
75 H ARG 13 H ARG 13 5.302 -2.066 -1.398
76 HA ARG 13 HA ARG 13 6.119 -4.361 -3.016
77 HB2 ARG 13 1HB ARG 13 5.701 -2.076 -3.903
78 HB3 ARG 13 2HB ARG 13 7.061 -1.459 -2.966
79 HG2 ARG 13 1HG ARG 13 8.611 -2.902 -4.281
80 HG3 ARG 13 2HG ARG 13 7.227 -3.533 -5.200
81 HD2 ARG 13 1HD ARG 13 6.732 -1.218 -5.977
82 HD3 ARG 13 2HD ARG 13 8.128 -0.611 -5.088
83 HE ARG 13 HE ARG 13 8.104 -2.034 -7.640
84 HH11 ARG 13 2HH1 ARG 13 10.211 -1.275 -4.936
85 HH12 ARG 13 1HH1 ARG 13 11.651 -1.515 -5.888
86 HH21 ARG 13 2HH2 ARG 13 9.980 -2.323 -8.776
87 HH22 ARG 13 1HH2 ARG 13 11.518 -2.089 -7.999
88 H PHE 14 H PHE 14 7.362 -2.847 -0.160
89 HA PHE 14 HA PHE 14 10.099 -3.983 -0.606
90 HB2 PHE 14 1HB PHE 14 9.190 -1.671 1.112
91 HB3 PHE 14 2HB PHE 14 10.850 -2.193 0.885
92 HD1 PHE 14 2HD PHE 14 12.022 -1.813 -1.274
93 HD2 PHE 14 1HD PHE 14 8.015 -0.369 -0.599
94 HE1 PHE 14 2HE PHE 14 12.247 -0.277 -3.212
95 HE2 PHE 14 1HE PHE 14 8.234 1.146 -2.557
96 HZ PHE 14 HZ PHE 14 10.353 1.207 -3.856
97 H CYS 15 H CYS 15 7.445 -3.960 1.758
98 HA CYS 15 HA CYS 15 8.913 -6.048 3.274
99 HB2 CYS 15 1HB CYS 15 8.466 -5.118 5.375
100 HB3 CYS 15 2HB CYS 15 9.250 -3.898 4.393
101 H LYS 16 H LYS 16 6.464 -5.807 1.387
102 HA LYS 16 HA LYS 16 4.645 -7.025 0.887
103 HB2 LYS 16 1HB LYS 16 6.002 -9.063 2.669
104 HB3 LYS 16 2HB LYS 16 4.783 -9.408 1.439
105 HG2 LYS 16 1HG LYS 16 6.276 -8.486 -0.320
106 HG3 LYS 16 2HG LYS 16 7.534 -8.205 0.901
107 HD2 LYS 16 1HD LYS 16 7.574 -10.622 1.430
108 HD3 LYS 16 2HD LYS 16 6.328 -10.913 0.195
109 HE2 LYS 16 1HE LYS 16 7.845 -9.993 -1.546
110 HE3 LYS 16 2HE LYS 16 9.083 -9.697 -0.317
111 HZ1 LYS 16 3HZ LYS 16 9.474 -11.792 -1.483
112 HZ2 LYS 16 1HZ LYS 16 8.015 -12.376 -1.047
113 HZ3 LYS 16 2HZ LYS 16 9.160 -12.102 0.087
114 H LYS 17 H LYS 17 4.416 -5.615 3.741
115 HA LYS 17 HA LYS 17 2.262 -6.988 5.051
116 HB2 LYS 17 1HB LYS 17 3.000 -4.031 5.025
117 HB3 LYS 17 2HB LYS 17 1.825 -4.777 6.123
118 HG2 LYS 17 1HG LYS 17 3.552 -6.161 7.146
119 HG3 LYS 17 2HG LYS 17 4.741 -5.635 5.945
120 HD2 LYS 17 1HD LYS 17 4.500 -3.276 6.779
121 HD3 LYS 17 2HD LYS 17 3.409 -3.866 8.036
122 HE2 LYS 17 1HE LYS 17 5.668 -3.555 8.918
123 HE3 LYS 17 2HE LYS 17 5.201 -5.257 8.993
124 HZ1 LYS 17 3HZ LYS 17 7.498 -4.837 8.116
125 HZ2 LYS 17 1HZ LYS 17 6.842 -4.130 6.777
126 HZ3 LYS 17 2HZ LYS 17 6.568 -5.701 7.082
127 H LYS 18 H LYS 18 0.080 -6.815 4.935
128 HA LYS 18 HA LYS 18 -1.212 -5.825 2.494
129 HB2 LYS 18 1HB LYS 18 -2.331 -6.936 5.101
130 HB3 LYS 18 2HB LYS 18 -3.295 -6.519 3.677
131 HG2 LYS 18 1HG LYS 18 -1.898 -8.190 2.353
132 HG3 LYS 18 2HG LYS 18 -1.150 -8.680 3.872
133 HD2 LYS 18 1HD LYS 18 -2.891 -10.251 3.359
134 HD3 LYS 18 2HD LYS 18 -3.420 -9.297 4.756
135 HE2 LYS 18 1HE LYS 18 -4.814 -7.879 3.257
136 HE3 LYS 18 2HE LYS 18 -4.234 -8.783 1.854
137 HZ1 LYS 18 3HZ LYS 18 -6.382 -9.574 2.541
138 HZ2 LYS 18 1HZ LYS 18 -5.872 -9.902 4.067
139 HZ3 LYS 18 2HZ LYS 18 -5.299 -10.773 2.804
140 H TYR 19 H TYR 19 -2.655 -4.117 2.299
141 HA TYR 19 HA TYR 19 -2.929 -2.250 4.604
142 HB2 TYR 19 1HB TYR 19 -1.631 -1.698 1.981
143 HB3 TYR 19 2HB TYR 19 -2.742 -0.469 2.574
144 HD1 TYR 19 1HD TYR 19 -2.398 0.714 4.657
145 HD2 TYR 19 2HD TYR 19 0.465 -2.207 3.287
146 HE1 TYR 19 1HE TYR 19 -0.835 1.414 6.457
147 HE2 TYR 19 2HE TYR 19 2.035 -1.502 5.098
148 HH TYR 19 HH TYR 19 1.129 0.982 7.526
149 H SER 20 H SER 20 -4.616 -0.821 4.632
150 HA SER 20 HA SER 20 -7.089 -2.060 3.739
151 HB2 SER 20 1HB SER 20 -8.073 -0.436 5.359
152 HB3 SER 20 2HB SER 20 -6.812 -1.470 6.049
153 HG SER 20 HG SER 20 -6.581 0.754 6.628
154 H ASP 21 H ASP 21 -5.285 0.698 2.685
155 HA ASP 21 HA ASP 21 -7.302 1.310 0.657
156 HB2 ASP 21 1HB ASP 21 -7.918 2.748 2.645
157 HB3 ASP 21 2HB ASP 21 -6.337 3.519 2.515
158 H VAL 22 H VAL 22 -6.337 2.275 -1.204
159 HA VAL 22 HA VAL 22 -3.592 1.787 -1.644
160 HB VAL 22 HB VAL 22 -5.356 1.988 -3.364
161 HG11 VAL 22 1HG1 VAL 22 -6.377 4.162 -2.694
162 HG12 VAL 22 2HG1 VAL 22 -4.924 4.987 -3.311
163 HG13 VAL 22 3HG1 VAL 22 -5.953 4.057 -4.409
164 HG21 VAL 22 3HG2 VAL 22 -2.966 1.872 -3.949
165 HG22 VAL 22 1HG2 VAL 22 -3.897 2.812 -5.125
166 HG23 VAL 22 2HG2 VAL 22 -2.880 3.646 -3.935
167 H LYS 23 H LYS 23 -5.199 4.781 -0.512
168 HA LYS 23 HA LYS 23 -2.806 6.357 -0.901
169 HB2 LYS 23 1HB LYS 23 -5.309 6.942 0.748
170 HB3 LYS 23 2HB LYS 23 -4.025 8.106 0.404
171 HG2 LYS 23 1HG LYS 23 -4.456 7.907 -2.026
172 HG3 LYS 23 2HG LYS 23 -5.754 6.739 -1.708
173 HD2 LYS 23 1HD LYS 23 -6.984 8.434 -0.399
174 HD3 LYS 23 2HD LYS 23 -5.700 9.621 -0.723
175 HE2 LYS 23 1HE LYS 23 -6.107 9.387 -3.165
176 HE3 LYS 23 2HE LYS 23 -7.383 8.206 -2.841
177 HZ1 LYS 23 3HZ LYS 23 -8.606 9.953 -1.657
178 HZ2 LYS 23 1HZ LYS 23 -8.302 10.427 -3.188
179 HZ3 LYS 23 2HZ LYS 23 -7.428 11.045 -1.957
180 H ASN 24 H ASN 24 -4.166 4.514 1.764
181 HA ASN 24 HA ASN 24 -2.294 5.333 3.815
182 HB2 ASN 24 1HB ASN 24 -4.576 4.264 4.142
183 HB3 ASN 24 2HB ASN 24 -3.892 2.742 3.572
184 HD21 ASN 24 1HD2 ASN 24 -4.720 2.020 5.756
185 HD22 ASN 24 2HD2 ASN 24 -3.652 2.293 7.120
186 H LEU 25 H LEU 25 -2.361 2.649 1.435
187 HA LEU 25 HA LEU 25 0.151 1.469 2.095
188 HB2 LEU 25 1HB LEU 25 -1.532 0.383 0.706
189 HB3 LEU 25 2HB LEU 25 -1.434 1.651 -0.497
190 HG LEU 25 HG LEU 25 0.833 0.990 -1.117
191 HD11 LEU 25 1HD1 LEU 25 0.519 -1.262 0.917
192 HD12 LEU 25 2HD1 LEU 25 1.660 0.097 1.048
193 HD13 LEU 25 3HD1 LEU 25 1.832 -1.065 -0.262
194 HD21 LEU 25 3HD2 LEU 25 -1.106 -0.065 -2.216
195 HD22 LEU 25 1HD2 LEU 25 -1.101 -1.354 -0.991
196 HD23 LEU 25 2HD2 LEU 25 0.266 -1.180 -2.119
197 H ILE 26 H ILE 26 -0.600 4.065 -0.318
198 HA ILE 26 HA ILE 26 2.130 4.486 -1.081
199 HB ILE 26 HB ILE 26 -0.340 6.232 -1.255
200 HG12 ILE 26 1HG1 ILE 26 1.302 4.838 -3.429
201 HG13 ILE 26 2HG1 ILE 26 -0.060 4.066 -2.637
202 HG21 ILE 26 1HG2 ILE 26 1.569 7.779 -1.167
203 HG22 ILE 26 2HG2 ILE 26 2.448 6.806 -2.370
204 HG23 ILE 26 3HG2 ILE 26 0.976 7.696 -2.813
205 HD11 ILE 26 3HD1 ILE 26 -0.195 6.574 -4.350
206 HD12 ILE 26 1HD1 ILE 26 -0.819 4.964 -4.725
207 HD13 ILE 26 2HD1 ILE 26 -1.560 5.908 -3.417
208 H LYS 27 H LYS 27 0.193 6.034 1.531
209 HA LYS 27 HA LYS 27 2.245 7.776 2.476
210 HB2 LYS 27 1HB LYS 27 -0.155 7.883 3.106
211 HB3 LYS 27 2HB LYS 27 0.031 6.408 4.066
212 HG2 LYS 27 1HG LYS 27 1.676 7.553 5.523
213 HG3 LYS 27 2HG LYS 27 1.554 9.014 4.523
214 HD2 LYS 27 1HD LYS 27 -0.852 9.207 5.106
215 HD3 LYS 27 2HD LYS 27 -0.726 7.742 6.105
216 HE2 LYS 27 1HE LYS 27 0.987 8.857 7.519
217 HE3 LYS 27 2HE LYS 27 0.870 10.314 6.523
218 HZ1 LYS 27 3HZ LYS 27 -0.492 10.499 8.523
219 HZ2 LYS 27 1HZ LYS 27 -1.353 9.170 8.134
220 HZ3 LYS 27 2HZ LYS 27 -1.461 10.517 7.212
221 H HIS 28 H HIS 28 1.582 4.359 3.399
222 HA HIS 28 HA HIS 28 3.731 4.060 5.242
223 HB2 HIS 28 1HB HIS 28 2.054 2.377 5.103
224 HB3 HIS 28 2HB HIS 28 2.312 2.116 3.386
225 HD1 HIS 28 1HD HIS 28 4.099 1.401 6.723
226 HD2 HIS 28 2HD HIS 28 4.176 0.400 2.642
227 HE1 HIS 28 1HE HIS 28 5.796 -0.459 6.510
228 H ILE 29 H ILE 29 3.740 3.539 1.673
229 HA ILE 29 HA ILE 29 6.506 2.811 1.524
230 HB ILE 29 HB ILE 29 4.607 3.950 -0.543
231 HG12 ILE 29 1HG1 ILE 29 5.662 1.096 -0.289
232 HG13 ILE 29 2HG1 ILE 29 4.191 1.613 0.516
233 HG21 ILE 29 1HG2 ILE 29 7.392 2.773 -0.946
234 HG22 ILE 29 2HG2 ILE 29 6.248 3.137 -2.253
235 HG23 ILE 29 3HG2 ILE 29 6.900 4.447 -1.285
236 HD11 ILE 29 3HD1 ILE 29 3.575 0.544 -1.540
237 HD12 ILE 29 1HD1 ILE 29 3.205 2.275 -1.682
238 HD13 ILE 29 2HD1 ILE 29 4.637 1.592 -2.491
239 H ARG 30 H ARG 30 4.949 6.026 1.168
240 HA ARG 30 HA ARG 30 7.442 7.442 0.743
241 HB2 ARG 30 1HB ARG 30 4.665 8.356 1.590
242 HB3 ARG 30 2HB ARG 30 6.014 9.459 1.291
243 HG2 ARG 30 1HG ARG 30 6.225 8.653 -1.031
244 HG3 ARG 30 2HG ARG 30 4.923 7.491 -0.772
245 HD2 ARG 30 1HD ARG 30 4.001 9.353 -1.935
246 HD3 ARG 30 2HD ARG 30 3.353 9.374 -0.302
247 HE ARG 30 HE ARG 30 5.464 11.189 -1.432
248 HH11 ARG 30 2HH1 ARG 30 3.102 10.694 1.119
249 HH12 ARG 30 1HH1 ARG 30 3.337 12.298 1.756
250 HH21 ARG 30 2HH2 ARG 30 5.697 13.206 -0.567
251 HH22 ARG 30 1HH2 ARG 30 4.762 13.676 0.821
252 H ASP 31 H ASP 31 5.914 6.370 3.702
253 HA ASP 31 HA ASP 31 7.600 8.099 5.379
254 HB2 ASP 31 1HB ASP 31 5.255 7.597 5.949
255 HB3 ASP 31 2HB ASP 31 5.661 5.886 6.117
256 H MET 32 H MET 32 7.476 4.589 4.595
257 HA MET 32 HA MET 32 9.877 4.141 6.310
258 HB2 MET 32 1HB MET 32 7.895 2.144 5.156
259 HB3 MET 32 2HB MET 32 9.238 1.797 6.250
260 HG2 MET 32 1HG MET 32 8.107 3.558 7.828
261 HG3 MET 32 2HG MET 32 6.688 3.311 6.807
262 HE1 MET 32 3HE MET 32 9.468 0.778 8.289
263 HE2 MET 32 1HE MET 32 9.029 1.932 9.571
264 HE3 MET 32 2HE MET 32 8.565 0.223 9.711
265 H HIS 33 H HIS 33 9.078 4.194 2.917
266 HA HIS 33 HA HIS 33 11.649 2.847 2.216
267 HB2 HIS 33 1HB HIS 33 9.027 2.374 0.778
268 HB3 HIS 33 2HB HIS 33 10.549 1.514 0.570
269 HD1 HIS 33 1HD HIS 33 11.225 0.359 3.315
270 HD2 HIS 33 2HD HIS 33 7.304 0.892 1.913
271 HE1 HIS 33 1HE HIS 33 9.789 -1.264 4.648
272 H ASP 34 H ASP 34 11.263 5.635 2.361
273 HA ASP 34 HA ASP 34 10.216 6.863 0.109
274 HB2 ASP 34 1HB ASP 34 11.282 8.892 0.878
275 HB3 ASP 34 2HB ASP 34 10.576 7.994 2.213
276 HA PRO 35 HA PRO 35 13.455 6.465 -3.004
277 HB2 PRO 35 1HB PRO 35 12.552 8.214 -4.889
278 HB3 PRO 35 2HB PRO 35 11.743 6.651 -4.555
279 HG2 PRO 35 1HG PRO 35 11.008 9.393 -3.473
280 HG3 PRO 35 2HG PRO 35 9.929 8.176 -4.229
281 HD2 PRO 35 1HD PRO 35 10.180 8.409 -1.521
282 HD3 PRO 35 2HD PRO 35 9.959 6.817 -2.305
283 H GLN 36 H GLN 36 15.344 7.549 -3.616
284 HA GLN 36 HA GLN 36 15.823 10.331 -2.781
285 HB2 GLN 36 1HB GLN 36 17.474 7.965 -1.785
286 HB3 GLN 36 2HB GLN 36 17.897 9.674 -1.606
287 HG2 GLN 36 1HG GLN 36 15.806 10.029 -0.273
288 HG3 GLN 36 2HG GLN 36 15.464 8.301 -0.390
289 HE21 GLN 36 1HE2 GLN 36 15.411 8.740 2.036
290 HE22 GLN 36 2HE2 GLN 36 16.948 8.493 2.887
291 H ASP 37 H ASP 37 17.288 11.314 -3.981
292 HA ASP 37 HA ASP 37 19.002 9.920 -5.969
293 HB2 ASP 37 1HB ASP 37 16.880 10.379 -7.123
294 HB3 ASP 37 2HB ASP 37 16.966 12.073 -6.658
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -17.878 -17.319 4.579
2 H2 GLY 1 2H GLY 1 -19.401 -16.850 4.200
3 H3 GLY 1 3H GLY 1 -18.131 -15.877 3.846
4 HA2 GLY 1 1HA GLY 1 -18.643 -18.518 2.641
5 HA3 GLY 1 2HA GLY 1 -18.938 -16.959 1.849
6 H SER 2 H SER 2 -17.214 -19.080 0.903
7 HA SER 2 HA SER 2 -14.431 -18.300 1.324
8 HB2 SER 2 1HB SER 2 -13.983 -20.029 -0.394
9 HB3 SER 2 2HB SER 2 -14.945 -20.617 0.970
10 HG SER 2 HG SER 2 -15.791 -21.306 -1.057
11 H SER 3 H SER 3 -12.978 -17.742 -0.446
12 HA SER 3 HA SER 3 -14.092 -16.378 -2.810
13 HB2 SER 3 1HB SER 3 -14.111 -14.607 -1.113
14 HB3 SER 3 2HB SER 3 -12.406 -14.920 -0.735
15 HG SER 3 HG SER 3 -12.830 -13.149 -2.241
16 H GLY 4 H GLY 4 -12.655 -16.178 -4.489
17 HA2 GLY 4 1HA GLY 4 -10.134 -17.715 -4.426
18 HA3 GLY 4 2HA GLY 4 -10.904 -16.971 -5.826
19 H SER 5 H SER 5 -10.903 -14.557 -3.581
20 HA SER 5 HA SER 5 -9.867 -12.568 -3.429
21 HB2 SER 5 1HB SER 5 -8.030 -14.070 -2.454
22 HB3 SER 5 2HB SER 5 -7.188 -13.842 -3.995
23 HG SER 5 HG SER 5 -7.935 -11.922 -2.035
24 H SER 6 H SER 6 -7.977 -11.171 -4.666
25 HA SER 6 HA SER 6 -8.236 -11.401 -7.597
26 HB2 SER 6 1HB SER 6 -10.249 -10.110 -6.747
27 HB3 SER 6 2HB SER 6 -9.121 -8.853 -6.200
28 HG SER 6 HG SER 6 -9.973 -8.487 -8.333
29 H GLY 7 H GLY 7 -6.889 -9.869 -8.745
30 HA2 GLY 7 1HA GLY 7 -4.214 -9.632 -7.613
31 HA3 GLY 7 2HA GLY 7 -4.740 -9.154 -9.225
32 H ILE 8 H ILE 8 -3.095 -7.489 -8.526
33 HA ILE 8 HA ILE 8 -2.405 -5.483 -7.839
34 HB ILE 8 HB ILE 8 -3.674 -3.575 -8.658
35 HG12 ILE 8 1HG1 ILE 8 -5.687 -3.940 -10.070
36 HG13 ILE 8 2HG1 ILE 8 -5.898 -5.538 -9.380
37 HG21 ILE 8 1HG2 ILE 8 -3.533 -4.221 -10.984
38 HG22 ILE 8 2HG2 ILE 8 -2.217 -4.977 -10.081
39 HG23 ILE 8 3HG2 ILE 8 -3.631 -5.940 -10.568
40 HD11 ILE 8 3HD1 ILE 8 -7.403 -3.831 -8.395
41 HD12 ILE 8 1HD1 ILE 8 -6.335 -4.497 -7.154
42 HD13 ILE 8 2HD1 ILE 8 -6.000 -2.893 -7.850
43 H LYS 9 H LYS 9 -3.567 -6.918 -5.631
44 HA LYS 9 HA LYS 9 -4.998 -5.181 -3.913
45 HB2 LYS 9 1HB LYS 9 -4.576 -6.800 -2.160
46 HB3 LYS 9 2HB LYS 9 -5.031 -7.583 -3.668
47 HG2 LYS 9 1HG LYS 9 -2.677 -8.234 -4.084
48 HG3 LYS 9 2HG LYS 9 -2.168 -7.301 -2.675
49 HD2 LYS 9 1HD LYS 9 -2.121 -9.453 -1.895
50 HD3 LYS 9 2HD LYS 9 -3.632 -8.853 -1.247
51 HE2 LYS 9 1HE LYS 9 -3.323 -10.638 -3.723
52 HE3 LYS 9 2HE LYS 9 -3.662 -11.208 -2.092
53 HZ1 LYS 9 3HZ LYS 9 -5.722 -9.719 -2.237
54 HZ2 LYS 9 1HZ LYS 9 -5.743 -11.105 -3.079
55 HZ3 LYS 9 2HZ LYS 9 -5.475 -9.721 -3.875
56 H GLN 10 H GLN 10 -4.392 -4.413 -1.823
57 HA GLN 10 HA GLN 10 -2.438 -2.338 -2.189
58 HB2 GLN 10 1HB GLN 10 -4.118 -2.805 0.290
59 HB3 GLN 10 2HB GLN 10 -3.402 -1.308 -0.281
60 HG2 GLN 10 1HG GLN 10 -5.645 -1.048 -0.793
61 HG3 GLN 10 2HG GLN 10 -4.958 -1.525 -2.340
62 HE21 GLN 10 1HE2 GLN 10 -7.523 -1.894 -2.481
63 HE22 GLN 10 2HE2 GLN 10 -8.020 -3.528 -2.073
64 H HIS 11 H HIS 11 -0.887 -4.520 -2.120
65 HA HIS 11 HA HIS 11 0.243 -4.857 0.572
66 HB2 HIS 11 1HB HIS 11 1.348 -6.763 -0.231
67 HB3 HIS 11 2HB HIS 11 -0.288 -6.840 -0.862
68 HD1 HIS 11 1HD HIS 11 -0.440 -6.101 -3.647
69 HD2 HIS 11 2HD HIS 11 3.312 -6.945 -1.926
70 HE1 HIS 11 1HE HIS 11 1.142 -6.584 -5.577
71 H CYS 12 H CYS 12 2.367 -4.422 1.127
72 HA CYS 12 HA CYS 12 3.803 -2.346 -0.324
73 HB2 CYS 12 1HB CYS 12 3.808 -2.520 2.129
74 HB3 CYS 12 2HB CYS 12 4.630 -4.098 2.008
75 H ARG 13 H ARG 13 5.115 -2.585 -1.927
76 HA ARG 13 HA ARG 13 5.883 -5.199 -3.016
77 HB2 ARG 13 1HB ARG 13 6.428 -2.302 -3.765
78 HB3 ARG 13 2HB ARG 13 7.287 -3.623 -4.545
79 HG2 ARG 13 1HG ARG 13 5.408 -2.921 -5.892
80 HG3 ARG 13 2HG ARG 13 5.238 -4.601 -5.387
81 HD2 ARG 13 1HD ARG 13 3.522 -4.021 -3.778
82 HD3 ARG 13 2HD ARG 13 3.782 -2.283 -4.051
83 HE ARG 13 HE ARG 13 3.187 -3.317 -6.561
84 HH11 ARG 13 2HH1 ARG 13 1.390 -3.258 -3.538
85 HH12 ARG 13 1HH1 ARG 13 -0.147 -3.325 -4.373
86 HH21 ARG 13 2HH2 ARG 13 1.196 -3.321 -7.523
87 HH22 ARG 13 1HH2 ARG 13 -0.241 -3.259 -6.546
88 H PHE 14 H PHE 14 7.240 -3.085 -0.659
89 HA PHE 14 HA PHE 14 10.004 -4.071 -1.096
90 HB2 PHE 14 1HB PHE 14 9.052 -1.814 0.677
91 HB3 PHE 14 2HB PHE 14 10.690 -2.133 0.137
92 HD1 PHE 14 2HD PHE 14 11.277 -1.819 -2.325
93 HD2 PHE 14 1HD PHE 14 7.496 -0.561 -0.672
94 HE1 PHE 14 2HE PHE 14 10.874 -0.389 -4.318
95 HE2 PHE 14 1HE PHE 14 7.100 0.867 -2.665
96 HZ PHE 14 HZ PHE 14 8.782 0.943 -4.496
97 H CYS 15 H CYS 15 7.498 -4.068 1.450
98 HA CYS 15 HA CYS 15 9.140 -6.034 2.949
99 HB2 CYS 15 1HB CYS 15 8.861 -4.998 5.028
100 HB3 CYS 15 2HB CYS 15 9.520 -3.817 3.912
101 H LYS 16 H LYS 16 6.513 -5.941 1.297
102 HA LYS 16 HA LYS 16 4.748 -7.279 1.008
103 HB2 LYS 16 1HB LYS 16 6.059 -9.255 2.856
104 HB3 LYS 16 2HB LYS 16 5.052 -9.568 1.450
105 HG2 LYS 16 1HG LYS 16 7.912 -8.537 1.483
106 HG3 LYS 16 2HG LYS 16 7.334 -10.105 0.941
107 HD2 LYS 16 1HD LYS 16 6.130 -8.998 -0.953
108 HD3 LYS 16 2HD LYS 16 6.787 -7.431 -0.429
109 HE2 LYS 16 1HE LYS 16 9.105 -8.381 -0.631
110 HE3 LYS 16 2HE LYS 16 8.405 -9.874 -1.267
111 HZ1 LYS 16 3HZ LYS 16 7.473 -8.520 -3.110
112 HZ2 LYS 16 1HZ LYS 16 9.103 -8.466 -3.077
113 HZ3 LYS 16 2HZ LYS 16 8.251 -7.187 -2.540
114 H LYS 17 H LYS 17 4.562 -5.593 3.581
115 HA LYS 17 HA LYS 17 2.382 -6.863 5.082
116 HB2 LYS 17 1HB LYS 17 3.347 -3.975 4.917
117 HB3 LYS 17 2HB LYS 17 2.140 -4.579 6.065
118 HG2 LYS 17 1HG LYS 17 3.760 -6.032 7.143
119 HG3 LYS 17 2HG LYS 17 4.961 -5.709 5.890
120 HD2 LYS 17 1HD LYS 17 4.916 -3.262 6.579
121 HD3 LYS 17 2HD LYS 17 3.907 -3.738 7.950
122 HE2 LYS 17 1HE LYS 17 6.234 -3.567 8.646
123 HE3 LYS 17 2HE LYS 17 5.704 -5.249 8.757
124 HZ1 LYS 17 3HZ LYS 17 6.873 -5.723 6.706
125 HZ2 LYS 17 1HZ LYS 17 7.928 -4.949 7.691
126 HZ3 LYS 17 2HZ LYS 17 7.218 -4.161 6.429
127 H LYS 18 H LYS 18 0.197 -5.654 5.225
128 HA LYS 18 HA LYS 18 -0.764 -4.748 2.543
129 HB2 LYS 18 1HB LYS 18 -1.250 -7.251 3.704
130 HB3 LYS 18 2HB LYS 18 -2.700 -6.363 4.100
131 HG2 LYS 18 1HG LYS 18 -1.507 -6.573 1.296
132 HG3 LYS 18 2HG LYS 18 -2.673 -7.715 1.942
133 HD2 LYS 18 1HD LYS 18 -3.250 -4.740 1.638
134 HD3 LYS 18 2HD LYS 18 -3.620 -5.945 0.408
135 HE2 LYS 18 1HE LYS 18 -5.131 -7.125 1.910
136 HE3 LYS 18 2HE LYS 18 -4.697 -6.059 3.254
137 HZ1 LYS 18 3HZ LYS 18 -6.001 -5.090 0.760
138 HZ2 LYS 18 1HZ LYS 18 -5.672 -4.204 2.086
139 HZ3 LYS 18 2HZ LYS 18 -6.793 -5.399 2.163
140 H TYR 19 H TYR 19 -2.141 -3.095 2.481
141 HA TYR 19 HA TYR 19 -3.047 -1.865 5.053
142 HB2 TYR 19 1HB TYR 19 -1.954 -0.695 2.499
143 HB3 TYR 19 2HB TYR 19 -3.002 0.265 3.533
144 HD1 TYR 19 1HD TYR 19 -2.362 0.968 5.761
145 HD2 TYR 19 2HD TYR 19 0.274 -1.476 3.371
146 HE1 TYR 19 1HE TYR 19 -0.558 1.284 7.437
147 HE2 TYR 19 2HE TYR 19 2.077 -1.170 5.061
148 HH TYR 19 HH TYR 19 1.550 0.720 8.079
149 H SER 20 H SER 20 -4.918 -0.395 4.900
150 HA SER 20 HA SER 20 -7.214 -1.908 4.058
151 HB2 SER 20 1HB SER 20 -8.441 0.054 5.029
152 HB3 SER 20 2HB SER 20 -7.258 -0.695 6.111
153 HG SER 20 HG SER 20 -7.031 1.527 6.202
154 H ASP 21 H ASP 21 -5.498 0.780 2.602
155 HA ASP 21 HA ASP 21 -7.136 0.639 0.172
156 HB2 ASP 21 1HB ASP 21 -8.275 2.303 1.736
157 HB3 ASP 21 2HB ASP 21 -6.812 3.284 1.657
158 H VAL 22 H VAL 22 -6.024 1.656 -1.670
159 HA VAL 22 HA VAL 22 -3.178 1.464 -1.611
160 HB VAL 22 HB VAL 22 -4.726 1.321 -3.606
161 HG11 VAL 22 1HG1 VAL 22 -4.356 4.324 -3.823
162 HG12 VAL 22 2HG1 VAL 22 -5.160 3.243 -4.971
163 HG13 VAL 22 3HG1 VAL 22 -5.884 3.515 -3.378
164 HG21 VAL 22 3HG2 VAL 22 -3.011 1.984 -5.181
165 HG22 VAL 22 1HG2 VAL 22 -2.243 3.021 -3.965
166 HG23 VAL 22 2HG2 VAL 22 -2.253 1.255 -3.755
167 H LYS 23 H LYS 23 -5.349 4.253 -1.103
168 HA LYS 23 HA LYS 23 -3.177 6.138 -1.176
169 HB2 LYS 23 1HB LYS 23 -5.966 6.427 0.034
170 HB3 LYS 23 2HB LYS 23 -4.849 7.756 -0.254
171 HG2 LYS 23 1HG LYS 23 -6.107 6.005 -2.411
172 HG3 LYS 23 2HG LYS 23 -6.599 7.635 -1.958
173 HD2 LYS 23 1HD LYS 23 -4.356 8.500 -2.676
174 HD3 LYS 23 2HD LYS 23 -3.896 6.859 -3.145
175 HE2 LYS 23 1HE LYS 23 -4.540 7.972 -5.137
176 HE3 LYS 23 2HE LYS 23 -5.794 6.790 -4.762
177 HZ1 LYS 23 3HZ LYS 23 -7.152 8.618 -3.877
178 HZ2 LYS 23 1HZ LYS 23 -6.727 8.945 -5.416
179 HZ3 LYS 23 2HZ LYS 23 -5.970 9.706 -4.189
180 H ASN 24 H ASN 24 -4.016 3.887 1.201
181 HA ASN 24 HA ASN 24 -2.504 5.330 3.341
182 HB2 ASN 24 1HB ASN 24 -4.187 2.793 3.392
183 HB3 ASN 24 2HB ASN 24 -3.254 3.400 4.759
184 HD21 ASN 24 1HD2 ASN 24 -6.112 3.018 4.775
185 HD22 ASN 24 2HD2 ASN 24 -6.799 4.621 5.004
186 H LEU 25 H LEU 25 -2.285 2.531 1.135
187 HA LEU 25 HA LEU 25 0.220 1.539 2.080
188 HB2 LEU 25 1HB LEU 25 -1.154 0.294 0.511
189 HB3 LEU 25 2HB LEU 25 -1.047 1.590 -0.685
190 HG LEU 25 HG LEU 25 1.416 1.195 -0.871
191 HD11 LEU 25 1HD1 LEU 25 2.349 -0.878 -0.002
192 HD12 LEU 25 2HD1 LEU 25 0.821 -1.274 0.816
193 HD13 LEU 25 3HD1 LEU 25 1.802 0.118 1.340
194 HD21 LEU 25 3HD2 LEU 25 -0.328 -1.216 -1.428
195 HD22 LEU 25 1HD2 LEU 25 1.228 -0.832 -2.195
196 HD23 LEU 25 2HD2 LEU 25 -0.169 0.219 -2.464
197 H ILE 26 H ILE 26 -0.456 4.165 -0.356
198 HA ILE 26 HA ILE 26 2.270 4.810 -0.794
199 HB ILE 26 HB ILE 26 -0.363 6.212 -1.158
200 HG12 ILE 26 1HG1 ILE 26 0.196 6.132 -3.476
201 HG13 ILE 26 2HG1 ILE 26 1.884 5.720 -3.145
202 HG21 ILE 26 1HG2 ILE 26 1.054 8.092 -0.508
203 HG22 ILE 26 2HG2 ILE 26 2.353 7.521 -1.591
204 HG23 ILE 26 3HG2 ILE 26 0.819 8.123 -2.256
205 HD11 ILE 26 3HD1 ILE 26 1.190 3.442 -2.468
206 HD12 ILE 26 1HD1 ILE 26 -0.494 3.887 -2.819
207 HD13 ILE 26 2HD1 ILE 26 0.698 3.850 -4.116
208 H LYS 27 H LYS 27 0.157 5.866 1.900
209 HA LYS 27 HA LYS 27 2.070 7.722 3.039
210 HB2 LYS 27 1HB LYS 27 -0.073 6.079 4.461
211 HB3 LYS 27 2HB LYS 27 0.841 7.406 5.163
212 HG2 LYS 27 1HG LYS 27 -0.151 8.988 3.543
213 HG3 LYS 27 2HG LYS 27 -1.066 7.663 2.816
214 HD2 LYS 27 1HD LYS 27 -2.115 7.235 5.109
215 HD3 LYS 27 2HD LYS 27 -1.268 8.672 5.685
216 HE2 LYS 27 1HE LYS 27 -3.435 9.430 5.222
217 HE3 LYS 27 2HE LYS 27 -2.470 9.990 3.852
218 HZ1 LYS 27 3HZ LYS 27 -4.556 8.986 3.119
219 HZ2 LYS 27 1HZ LYS 27 -4.223 7.573 3.875
220 HZ3 LYS 27 2HZ LYS 27 -3.319 8.045 2.596
221 H HIS 28 H HIS 28 1.614 4.199 3.431
222 HA HIS 28 HA HIS 28 3.728 3.841 5.356
223 HB2 HIS 28 1HB HIS 28 2.137 2.111 5.089
224 HB3 HIS 28 2HB HIS 28 2.386 1.990 3.359
225 HD1 HIS 28 1HD HIS 28 3.899 0.770 6.605
226 HD2 HIS 28 2HD HIS 28 4.511 0.622 2.457
227 HE1 HIS 28 1HE HIS 28 5.721 -0.958 6.246
228 H ILE 29 H ILE 29 3.779 3.589 1.743
229 HA ILE 29 HA ILE 29 6.545 2.958 1.568
230 HB ILE 29 HB ILE 29 4.757 4.369 -0.427
231 HG12 ILE 29 1HG1 ILE 29 5.676 1.461 -0.477
232 HG13 ILE 29 2HG1 ILE 29 4.191 1.948 0.322
233 HG21 ILE 29 1HG2 ILE 29 7.111 4.834 -1.010
234 HG22 ILE 29 2HG2 ILE 29 7.506 3.107 -0.870
235 HG23 ILE 29 3HG2 ILE 29 6.437 3.697 -2.156
236 HD11 ILE 29 3HD1 ILE 29 3.372 2.961 -1.816
237 HD12 ILE 29 1HD1 ILE 29 4.791 2.279 -2.640
238 HD13 ILE 29 2HD1 ILE 29 3.616 1.200 -1.881
239 H ARG 30 H ARG 30 5.000 6.217 1.406
240 HA ARG 30 HA ARG 30 7.487 7.591 1.019
241 HB2 ARG 30 1HB ARG 30 6.278 9.550 1.086
242 HB3 ARG 30 2HB ARG 30 5.120 8.356 0.489
243 HG2 ARG 30 1HG ARG 30 4.231 8.187 2.855
244 HG3 ARG 30 2HG ARG 30 5.268 9.563 3.281
245 HD2 ARG 30 1HD ARG 30 4.185 10.879 1.456
246 HD3 ARG 30 2HD ARG 30 3.096 9.508 1.155
247 HE ARG 30 HE ARG 30 3.006 10.273 3.934
248 HH11 ARG 30 2HH1 ARG 30 1.849 11.444 0.841
249 HH12 ARG 30 1HH1 ARG 30 0.535 12.330 1.565
250 HH21 ARG 30 2HH2 ARG 30 1.319 11.440 4.793
251 HH22 ARG 30 1HH2 ARG 30 0.257 12.330 3.746
252 H ASP 31 H ASP 31 6.015 6.479 3.955
253 HA ASP 31 HA ASP 31 7.793 8.108 5.663
254 HB2 ASP 31 1HB ASP 31 5.367 7.724 6.163
255 HB3 ASP 31 2HB ASP 31 5.732 6.018 6.434
256 H MET 32 H MET 32 7.451 4.673 4.721
257 HA MET 32 HA MET 32 9.630 3.885 6.570
258 HB2 MET 32 1HB MET 32 7.712 2.231 4.888
259 HB3 MET 32 2HB MET 32 8.895 1.583 6.011
260 HG2 MET 32 1HG MET 32 6.568 3.397 6.749
261 HG3 MET 32 2HG MET 32 6.634 1.658 6.982
262 HE1 MET 32 3HE MET 32 9.588 1.101 8.163
263 HE2 MET 32 1HE MET 32 9.191 1.184 9.889
264 HE3 MET 32 2HE MET 32 8.064 0.399 8.763
265 H HIS 33 H HIS 33 9.201 4.270 3.088
266 HA HIS 33 HA HIS 33 11.803 2.841 2.625
267 HB2 HIS 33 1HB HIS 33 9.336 2.801 0.858
268 HB3 HIS 33 2HB HIS 33 10.847 1.939 0.583
269 HD1 HIS 33 1HD HIS 33 11.322 0.482 3.288
270 HD2 HIS 33 2HD HIS 33 7.559 1.034 1.504
271 HE1 HIS 33 1HE HIS 33 9.825 -1.304 4.283
272 H ASP 34 H ASP 34 9.604 5.279 1.201
273 HA ASP 34 HA ASP 34 9.922 6.839 -0.427
274 HB2 ASP 34 1HB ASP 34 10.433 7.901 1.722
275 HB3 ASP 34 2HB ASP 34 12.146 7.578 1.490
276 HA PRO 35 HA PRO 35 13.460 4.482 -2.395
277 HB2 PRO 35 1HB PRO 35 12.204 3.492 -4.633
278 HB3 PRO 35 2HB PRO 35 12.130 2.720 -3.019
279 HG2 PRO 35 1HG PRO 35 10.110 4.621 -4.261
280 HG3 PRO 35 2HG PRO 35 9.802 3.035 -3.484
281 HD2 PRO 35 1HD PRO 35 9.492 5.335 -2.104
282 HD3 PRO 35 2HD PRO 35 10.224 3.901 -1.327
283 H GLN 36 H GLN 36 14.913 5.238 -3.790
284 HA GLN 36 HA GLN 36 14.246 6.960 -6.076
285 HB2 GLN 36 1HB GLN 36 14.334 8.533 -4.137
286 HB3 GLN 36 2HB GLN 36 15.987 8.012 -3.797
287 HG2 GLN 36 1HG GLN 36 16.720 8.880 -6.001
288 HG3 GLN 36 2HG GLN 36 15.051 9.308 -6.401
289 HE21 GLN 36 1HE2 GLN 36 17.741 10.050 -4.105
290 HE22 GLN 36 2HE2 GLN 36 17.167 11.677 -3.769
291 H ASP 37 H ASP 37 16.876 5.609 -4.034
292 HA ASP 37 HA ASP 37 18.324 4.627 -6.430
293 HB2 ASP 37 1HB ASP 37 19.284 6.835 -5.915
294 HB3 ASP 37 2HB ASP 37 19.545 6.357 -4.243
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -17.047 -19.302 -12.272
2 H2 GLY 1 2H GLY 1 -18.392 -19.896 -12.990
3 H3 GLY 1 3H GLY 1 -17.732 -20.682 -11.711
4 HA2 GLY 1 1HA GLY 1 -19.702 -19.511 -11.003
5 HA3 GLY 1 2HA GLY 1 -18.245 -18.853 -10.236
6 H SER 2 H SER 2 -19.679 -16.959 -9.926
7 HA SER 2 HA SER 2 -19.378 -14.994 -12.118
8 HB2 SER 2 1HB SER 2 -21.724 -14.249 -11.881
9 HB3 SER 2 2HB SER 2 -21.591 -15.891 -12.525
10 HG SER 2 HG SER 2 -23.199 -15.730 -10.891
11 H SER 3 H SER 3 -19.732 -12.819 -11.452
12 HA SER 3 HA SER 3 -19.312 -10.976 -10.287
13 HB2 SER 3 1HB SER 3 -20.581 -12.437 -7.960
14 HB3 SER 3 2HB SER 3 -20.314 -10.691 -8.081
15 HG SER 3 HG SER 3 -22.440 -11.299 -8.728
16 H GLY 4 H GLY 4 -17.922 -13.760 -8.587
17 HA2 GLY 4 1HA GLY 4 -15.811 -14.007 -7.661
18 HA3 GLY 4 2HA GLY 4 -15.400 -12.365 -8.141
19 H SER 5 H SER 5 -14.369 -13.007 -5.879
20 HA SER 5 HA SER 5 -15.952 -11.652 -3.738
21 HB2 SER 5 1HB SER 5 -15.218 -13.379 -2.143
22 HB3 SER 5 2HB SER 5 -16.214 -14.050 -3.442
23 HG SER 5 HG SER 5 -14.344 -15.328 -3.030
24 H SER 6 H SER 6 -13.185 -11.363 -5.478
25 HA SER 6 HA SER 6 -11.126 -11.127 -3.547
26 HB2 SER 6 1HB SER 6 -11.343 -9.743 -6.244
27 HB3 SER 6 2HB SER 6 -9.861 -10.000 -5.302
28 HG SER 6 HG SER 6 -10.144 -11.602 -6.929
29 H GLY 7 H GLY 7 -10.368 -9.525 -2.290
30 HA2 GLY 7 1HA GLY 7 -11.940 -7.076 -1.875
31 HA3 GLY 7 2HA GLY 7 -10.571 -7.635 -0.924
32 H ILE 8 H ILE 8 -10.850 -5.000 -1.553
33 HA ILE 8 HA ILE 8 -9.085 -4.303 -3.786
34 HB ILE 8 HB ILE 8 -11.159 -3.061 -3.236
35 HG12 ILE 8 1HG1 ILE 8 -10.392 -0.803 -3.550
36 HG13 ILE 8 2HG1 ILE 8 -8.759 -1.205 -3.050
37 HG21 ILE 8 1HG2 ILE 8 -11.028 -3.119 -0.757
38 HG22 ILE 8 2HG2 ILE 8 -9.643 -2.007 -0.809
39 HG23 ILE 8 3HG2 ILE 8 -11.237 -1.479 -1.371
40 HD11 ILE 8 3HD1 ILE 8 -9.031 -0.989 -5.521
41 HD12 ILE 8 1HD1 ILE 8 -8.449 -2.594 -5.060
42 HD13 ILE 8 2HD1 ILE 8 -10.158 -2.361 -5.506
43 H LYS 9 H LYS 9 -8.502 -5.268 -0.651
44 HA LYS 9 HA LYS 9 -6.580 -3.537 0.422
45 HB2 LYS 9 1HB LYS 9 -6.677 -6.573 0.669
46 HB3 LYS 9 2HB LYS 9 -5.806 -5.472 1.742
47 HG2 LYS 9 1HG LYS 9 -7.972 -4.410 2.393
48 HG3 LYS 9 2HG LYS 9 -8.833 -5.583 1.376
49 HD2 LYS 9 1HD LYS 9 -7.765 -7.437 2.706
50 HD3 LYS 9 2HD LYS 9 -7.100 -6.228 3.807
51 HE2 LYS 9 1HE LYS 9 -10.071 -6.657 3.216
52 HE3 LYS 9 2HE LYS 9 -9.213 -7.343 4.596
53 HZ1 LYS 9 3HZ LYS 9 -8.741 -5.071 5.356
54 HZ2 LYS 9 1HZ LYS 9 -10.347 -5.323 5.236
55 HZ3 LYS 9 2HZ LYS 9 -9.587 -4.439 4.100
56 H GLN 10 H GLN 10 -4.382 -3.441 0.491
57 HA GLN 10 HA GLN 10 -2.951 -4.443 -1.948
58 HB2 GLN 10 1HB GLN 10 -2.723 -1.785 -0.470
59 HB3 GLN 10 2HB GLN 10 -1.688 -2.290 -1.802
60 HG2 GLN 10 1HG GLN 10 -4.699 -1.834 -1.964
61 HG3 GLN 10 2HG GLN 10 -3.448 -0.762 -2.572
62 HE21 GLN 10 1HE2 GLN 10 -5.651 -2.958 -3.655
63 HE22 GLN 10 2HE2 GLN 10 -4.775 -3.517 -5.082
64 H HIS 11 H HIS 11 -0.895 -5.205 -1.779
65 HA HIS 11 HA HIS 11 0.331 -5.442 0.923
66 HB2 HIS 11 1HB HIS 11 1.757 -7.145 -0.058
67 HB3 HIS 11 2HB HIS 11 0.055 -7.541 -0.253
68 HD1 HIS 11 1HD HIS 11 -0.786 -7.875 -2.760
69 HD2 HIS 11 2HD HIS 11 3.105 -6.321 -2.353
70 HE1 HIS 11 1HE HIS 11 0.229 -7.861 -5.098
71 H CYS 12 H CYS 12 2.335 -4.530 1.381
72 HA CYS 12 HA CYS 12 3.245 -2.341 -0.124
73 HB2 CYS 12 1HB CYS 12 3.643 -2.513 2.234
74 HB3 CYS 12 2HB CYS 12 4.600 -3.990 2.023
75 H ARG 13 H ARG 13 4.754 -1.934 -1.539
76 HA ARG 13 HA ARG 13 5.560 -4.068 -3.367
77 HB2 ARG 13 1HB ARG 13 6.346 -1.126 -3.423
78 HB3 ARG 13 2HB ARG 13 6.425 -2.266 -4.757
79 HG2 ARG 13 1HG ARG 13 3.907 -1.161 -3.436
80 HG3 ARG 13 2HG ARG 13 4.564 -0.711 -4.996
81 HD2 ARG 13 1HD ARG 13 3.449 -2.314 -6.013
82 HD3 ARG 13 2HD ARG 13 4.232 -3.560 -5.063
83 HE ARG 13 HE ARG 13 2.468 -3.322 -3.343
84 HH11 ARG 13 2HH1 ARG 13 1.559 -2.070 -6.514
85 HH12 ARG 13 1HH1 ARG 13 -0.137 -2.199 -6.125
86 HH21 ARG 13 2HH2 ARG 13 0.416 -3.390 -2.958
87 HH22 ARG 13 1HH2 ARG 13 -0.798 -2.935 -4.163
88 H PHE 14 H PHE 14 6.978 -2.817 -0.570
89 HA PHE 14 HA PHE 14 9.708 -3.780 -1.372
90 HB2 PHE 14 1HB PHE 14 8.973 -1.590 0.578
91 HB3 PHE 14 2HB PHE 14 10.598 -2.085 0.143
92 HD1 PHE 14 2HD PHE 14 11.510 -1.590 -2.134
93 HD2 PHE 14 1HD PHE 14 7.648 -0.146 -0.873
94 HE1 PHE 14 2HE PHE 14 11.495 0.024 -4.024
95 HE2 PHE 14 1HE PHE 14 7.635 1.466 -2.767
96 HZ PHE 14 HZ PHE 14 9.553 1.541 -4.349
97 H CYS 15 H CYS 15 7.247 -3.897 1.209
98 HA CYS 15 HA CYS 15 8.816 -6.080 2.467
99 HB2 CYS 15 1HB CYS 15 8.653 -5.208 4.639
100 HB3 CYS 15 2HB CYS 15 9.368 -3.981 3.608
101 H LYS 16 H LYS 16 6.105 -5.702 0.945
102 HA LYS 16 HA LYS 16 4.151 -6.791 0.751
103 HB2 LYS 16 1HB LYS 16 5.624 -8.932 2.312
104 HB3 LYS 16 2HB LYS 16 4.198 -9.202 1.324
105 HG2 LYS 16 1HG LYS 16 6.866 -8.201 0.240
106 HG3 LYS 16 2HG LYS 16 6.316 -9.875 0.241
107 HD2 LYS 16 1HD LYS 16 4.379 -9.268 -1.198
108 HD3 LYS 16 2HD LYS 16 4.898 -7.583 -1.180
109 HE2 LYS 16 1HE LYS 16 5.620 -8.488 -3.246
110 HE3 LYS 16 2HE LYS 16 7.053 -8.223 -2.250
111 HZ1 LYS 16 3HZ LYS 16 7.058 -10.615 -1.753
112 HZ2 LYS 16 1HZ LYS 16 7.095 -10.391 -3.366
113 HZ3 LYS 16 2HZ LYS 16 5.707 -10.851 -2.646
114 H LYS 17 H LYS 17 4.531 -5.446 3.660
115 HA LYS 17 HA LYS 17 2.465 -6.626 5.243
116 HB2 LYS 17 1HB LYS 17 3.420 -3.739 5.123
117 HB3 LYS 17 2HB LYS 17 2.357 -4.418 6.370
118 HG2 LYS 17 1HG LYS 17 4.107 -5.955 7.115
119 HG3 LYS 17 2HG LYS 17 5.152 -5.467 5.772
120 HD2 LYS 17 1HD LYS 17 5.167 -3.118 6.690
121 HD3 LYS 17 2HD LYS 17 4.242 -3.696 8.079
122 HE2 LYS 17 1HE LYS 17 6.622 -3.523 8.614
123 HE3 LYS 17 2HE LYS 17 6.079 -5.199 8.725
124 HZ1 LYS 17 3HZ LYS 17 7.127 -5.674 6.641
125 HZ2 LYS 17 1HZ LYS 17 8.242 -4.850 7.511
126 HZ3 LYS 17 2HZ LYS 17 7.408 -4.114 6.292
127 H LYS 18 H LYS 18 0.341 -6.014 5.638
128 HA LYS 18 HA LYS 18 -1.142 -5.388 3.166
129 HB2 LYS 18 1HB LYS 18 -1.908 -6.562 5.852
130 HB3 LYS 18 2HB LYS 18 -3.082 -6.238 4.560
131 HG2 LYS 18 1HG LYS 18 -1.825 -7.732 3.026
132 HG3 LYS 18 2HG LYS 18 -0.668 -8.093 4.320
133 HD2 LYS 18 1HD LYS 18 -2.506 -9.034 5.703
134 HD3 LYS 18 2HD LYS 18 -3.660 -8.689 4.395
135 HE2 LYS 18 1HE LYS 18 -2.369 -10.164 2.869
136 HE3 LYS 18 2HE LYS 18 -1.209 -10.498 4.161
137 HZ1 LYS 18 3HZ LYS 18 -4.096 -11.207 4.244
138 HZ2 LYS 18 1HZ LYS 18 -3.022 -11.515 5.438
139 HZ3 LYS 18 2HZ LYS 18 -2.872 -12.258 3.993
140 H TYR 19 H TYR 19 -2.411 -3.747 2.778
141 HA TYR 19 HA TYR 19 -3.251 -1.846 4.911
142 HB2 TYR 19 1HB TYR 19 -1.879 -1.183 2.284
143 HB3 TYR 19 2HB TYR 19 -2.819 -0.003 3.193
144 HD1 TYR 19 1HD TYR 19 -2.164 0.696 5.477
145 HD2 TYR 19 2HD TYR 19 0.337 -1.892 3.091
146 HE1 TYR 19 1HE TYR 19 -0.299 0.994 7.104
147 HE2 TYR 19 2HE TYR 19 2.200 -1.582 4.714
148 HH TYR 19 HH TYR 19 2.830 -0.686 6.730
149 H SER 20 H SER 20 -5.175 -0.731 4.547
150 HA SER 20 HA SER 20 -7.184 -2.327 3.264
151 HB2 SER 20 1HB SER 20 -8.694 -0.521 4.168
152 HB3 SER 20 2HB SER 20 -7.634 -1.291 5.361
153 HG SER 20 HG SER 20 -7.622 0.970 5.590
154 H ASP 21 H ASP 21 -5.454 0.484 2.171
155 HA ASP 21 HA ASP 21 -6.891 0.527 -0.397
156 HB2 ASP 21 1HB ASP 21 -8.182 2.069 1.102
157 HB3 ASP 21 2HB ASP 21 -6.705 2.980 1.412
158 H VAL 22 H VAL 22 -5.667 1.683 -2.056
159 HA VAL 22 HA VAL 22 -2.854 1.365 -1.847
160 HB VAL 22 HB VAL 22 -4.207 1.447 -3.958
161 HG11 VAL 22 1HG1 VAL 22 -5.381 3.634 -3.573
162 HG12 VAL 22 2HG1 VAL 22 -3.824 4.457 -3.852
163 HG13 VAL 22 3HG1 VAL 22 -4.567 3.500 -5.141
164 HG21 VAL 22 3HG2 VAL 22 -1.736 1.395 -3.931
165 HG22 VAL 22 1HG2 VAL 22 -2.369 2.306 -5.313
166 HG23 VAL 22 2HG2 VAL 22 -1.705 3.172 -3.912
167 H LYS 23 H LYS 23 -4.839 4.285 -1.165
168 HA LYS 23 HA LYS 23 -2.501 5.979 -1.163
169 HB2 LYS 23 1HB LYS 23 -5.285 6.433 0.011
170 HB3 LYS 23 2HB LYS 23 -4.033 7.674 -0.110
171 HG2 LYS 23 1HG LYS 23 -3.986 7.425 -2.574
172 HG3 LYS 23 2HG LYS 23 -5.250 6.186 -2.482
173 HD2 LYS 23 1HD LYS 23 -6.801 7.822 -1.464
174 HD3 LYS 23 2HD LYS 23 -5.544 9.077 -1.564
175 HE2 LYS 23 1HE LYS 23 -5.469 8.796 -4.034
176 HE3 LYS 23 2HE LYS 23 -6.717 7.547 -3.933
177 HZ1 LYS 23 3HZ LYS 23 -8.237 9.229 -3.034
178 HZ2 LYS 23 1HZ LYS 23 -7.675 9.707 -4.488
179 HZ3 LYS 23 2HZ LYS 23 -7.084 10.385 -3.128
180 H ASN 24 H ASN 24 -4.082 4.082 1.320
181 HA ASN 24 HA ASN 24 -2.529 5.085 3.574
182 HB2 ASN 24 1HB ASN 24 -4.047 2.474 3.114
183 HB3 ASN 24 2HB ASN 24 -3.296 2.934 4.640
184 HD21 ASN 24 1HD2 ASN 24 -6.104 2.388 4.430
185 HD22 ASN 24 2HD2 ASN 24 -6.909 3.915 4.742
186 H LEU 25 H LEU 25 -2.035 2.534 1.107
187 HA LEU 25 HA LEU 25 0.513 1.719 2.183
188 HB2 LEU 25 1HB LEU 25 -0.715 0.222 0.757
189 HB3 LEU 25 2HB LEU 25 -0.735 1.380 -0.563
190 HG LEU 25 HG LEU 25 1.692 1.219 -0.822
191 HD11 LEU 25 1HD1 LEU 25 3.056 -0.337 0.366
192 HD12 LEU 25 2HD1 LEU 25 1.653 -1.043 1.217
193 HD13 LEU 25 3HD1 LEU 25 2.230 0.588 1.593
194 HD21 LEU 25 3HD2 LEU 25 0.227 -0.298 -2.087
195 HD22 LEU 25 1HD2 LEU 25 0.352 -1.502 -0.781
196 HD23 LEU 25 2HD2 LEU 25 1.791 -1.047 -1.720
197 H ILE 26 H ILE 26 -0.366 4.200 -0.304
198 HA ILE 26 HA ILE 26 2.293 4.945 -0.963
199 HB ILE 26 HB ILE 26 -0.071 6.845 -0.791
200 HG12 ILE 26 1HG1 ILE 26 -0.900 5.444 -2.407
201 HG13 ILE 26 2HG1 ILE 26 0.006 6.553 -3.377
202 HG21 ILE 26 1HG2 ILE 26 1.218 8.184 -2.445
203 HG22 ILE 26 2HG2 ILE 26 2.067 8.044 -0.918
204 HG23 ILE 26 3HG2 ILE 26 2.573 7.043 -2.299
205 HD11 ILE 26 3HD1 ILE 26 1.881 4.853 -3.463
206 HD12 ILE 26 1HD1 ILE 26 0.776 3.724 -2.623
207 HD13 ILE 26 2HD1 ILE 26 0.342 4.356 -4.212
208 H LYS 27 H LYS 27 0.259 6.122 1.757
209 HA LYS 27 HA LYS 27 2.201 7.850 2.922
210 HB2 LYS 27 1HB LYS 27 -0.184 7.862 3.514
211 HB3 LYS 27 2HB LYS 27 -0.055 6.244 4.193
212 HG2 LYS 27 1HG LYS 27 -0.125 7.901 5.953
213 HG3 LYS 27 2HG LYS 27 1.423 7.058 5.977
214 HD2 LYS 27 1HD LYS 27 2.517 8.998 4.882
215 HD3 LYS 27 2HD LYS 27 0.946 9.823 4.767
216 HE2 LYS 27 1HE LYS 27 0.758 9.771 7.250
217 HE3 LYS 27 2HE LYS 27 2.320 8.950 7.352
218 HZ1 LYS 27 3HZ LYS 27 2.551 11.342 7.700
219 HZ2 LYS 27 1HZ LYS 27 1.900 11.678 6.244
220 HZ3 LYS 27 2HZ LYS 27 3.347 10.920 6.340
221 H HIS 28 H HIS 28 1.654 4.340 3.546
222 HA HIS 28 HA HIS 28 3.787 4.002 5.416
223 HB2 HIS 28 1HB HIS 28 2.207 2.249 5.185
224 HB3 HIS 28 2HB HIS 28 2.437 2.134 3.446
225 HD1 HIS 28 1HD HIS 28 4.441 1.339 6.660
226 HD2 HIS 28 2HD HIS 28 4.318 0.524 2.540
227 HE1 HIS 28 1HE HIS 28 6.184 -0.452 6.260
228 H ILE 29 H ILE 29 3.856 3.716 1.820
229 HA ILE 29 HA ILE 29 6.610 2.988 1.664
230 HB ILE 29 HB ILE 29 4.742 4.273 -0.357
231 HG12 ILE 29 1HG1 ILE 29 5.888 1.440 -0.190
232 HG13 ILE 29 2HG1 ILE 29 4.321 1.887 0.456
233 HG21 ILE 29 1HG2 ILE 29 7.059 4.891 -0.973
234 HG22 ILE 29 2HG2 ILE 29 7.563 3.191 -0.811
235 HG23 ILE 29 3HG2 ILE 29 6.438 3.697 -2.089
236 HD11 ILE 29 3HD1 ILE 29 5.121 1.956 -2.478
237 HD12 ILE 29 1HD1 ILE 29 3.991 0.858 -1.688
238 HD13 ILE 29 2HD1 ILE 29 3.582 2.581 -1.834
239 H ARG 30 H ARG 30 5.113 6.258 1.429
240 HA ARG 30 HA ARG 30 7.639 7.649 1.176
241 HB2 ARG 30 1HB ARG 30 4.872 8.538 2.107
242 HB3 ARG 30 2HB ARG 30 6.235 9.644 1.882
243 HG2 ARG 30 1HG ARG 30 6.408 9.053 -0.490
244 HG3 ARG 30 2HG ARG 30 5.092 7.876 -0.328
245 HD2 ARG 30 1HD ARG 30 3.545 9.684 0.339
246 HD3 ARG 30 2HD ARG 30 4.856 10.872 0.166
247 HE ARG 30 HE ARG 30 4.698 9.489 -2.281
248 HH11 ARG 30 2HH1 ARG 30 2.611 11.657 -0.486
249 HH12 ARG 30 1HH1 ARG 30 1.811 12.225 -1.926
250 HH21 ARG 30 2HH2 ARG 30 3.640 10.262 -4.078
251 HH22 ARG 30 1HH2 ARG 30 2.388 11.454 -3.903
252 H ASP 31 H ASP 31 5.917 6.532 4.055
253 HA ASP 31 HA ASP 31 7.632 8.051 5.865
254 HB2 ASP 31 1HB ASP 31 5.264 7.500 6.336
255 HB3 ASP 31 2HB ASP 31 5.688 5.787 6.426
256 H MET 32 H MET 32 7.564 4.634 4.763
257 HA MET 32 HA MET 32 9.878 4.042 6.552
258 HB2 MET 32 1HB MET 32 7.856 2.149 5.308
259 HB3 MET 32 2HB MET 32 9.165 1.725 6.414
260 HG2 MET 32 1HG MET 32 8.098 3.475 8.026
261 HG3 MET 32 2HG MET 32 6.686 3.353 6.976
262 HE1 MET 32 3HE MET 32 8.894 1.738 9.722
263 HE2 MET 32 1HE MET 32 8.318 0.059 9.803
264 HE3 MET 32 2HE MET 32 9.274 0.599 8.409
265 H HIS 33 H HIS 33 9.273 4.267 3.125
266 HA HIS 33 HA HIS 33 11.826 2.765 2.601
267 HB2 HIS 33 1HB HIS 33 9.323 2.776 0.886
268 HB3 HIS 33 2HB HIS 33 10.814 1.898 0.569
269 HD1 HIS 33 1HD HIS 33 11.340 0.344 3.193
270 HD2 HIS 33 2HD HIS 33 7.539 1.034 1.550
271 HE1 HIS 33 1HE HIS 33 9.839 -1.475 4.136
272 H ASP 34 H ASP 34 9.673 5.304 1.350
273 HA ASP 34 HA ASP 34 9.916 6.908 -0.224
274 HB2 ASP 34 1HB ASP 34 10.647 7.913 1.860
275 HB3 ASP 34 2HB ASP 34 12.322 7.508 1.500
276 HA PRO 35 HA PRO 35 12.981 4.813 -3.042
277 HB2 PRO 35 1HB PRO 35 11.304 4.516 -5.202
278 HB3 PRO 35 2HB PRO 35 11.413 3.342 -3.852
279 HG2 PRO 35 1HG PRO 35 9.401 5.592 -4.204
280 HG3 PRO 35 2HG PRO 35 9.073 3.875 -3.809
281 HD2 PRO 35 1HD PRO 35 9.188 5.759 -1.880
282 HD3 PRO 35 2HD PRO 35 9.885 4.135 -1.595
283 H GLN 36 H GLN 36 14.209 5.854 -4.577
284 HA GLN 36 HA GLN 36 13.368 8.396 -5.789
285 HB2 GLN 36 1HB GLN 36 15.863 8.087 -4.057
286 HB3 GLN 36 2HB GLN 36 15.489 9.467 -5.097
287 HG2 GLN 36 1HG GLN 36 13.456 9.938 -3.712
288 HG3 GLN 36 2HG GLN 36 13.894 8.596 -2.653
289 HE21 GLN 36 1HE2 GLN 36 13.929 10.237 -0.859
290 HE22 GLN 36 2HE2 GLN 36 15.368 11.245 -0.726
291 H ASP 37 H ASP 37 14.405 8.801 -7.649
292 HA ASP 37 HA ASP 37 16.634 7.125 -8.668
293 HB2 ASP 37 1HB ASP 37 14.580 5.963 -9.365
294 HB3 ASP 37 2HB ASP 37 13.963 7.442 -10.093
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -3.934 -14.013 -20.602
2 H2 GLY 1 2H GLY 1 -3.339 -14.508 -19.158
3 H3 GLY 1 3H GLY 1 -2.898 -13.055 -19.768
4 HA2 GLY 1 1HA GLY 1 -5.136 -12.208 -19.561
5 HA3 GLY 1 2HA GLY 1 -5.627 -13.785 -18.918
6 H SER 2 H SER 2 -5.886 -11.212 -17.614
7 HA SER 2 HA SER 2 -3.879 -10.789 -15.622
8 HB2 SER 2 1HB SER 2 -6.819 -10.014 -15.584
9 HB3 SER 2 2HB SER 2 -5.537 -9.330 -14.566
10 HG SER 2 HG SER 2 -5.977 -8.031 -16.421
11 H SER 3 H SER 3 -3.918 -11.133 -13.369
12 HA SER 3 HA SER 3 -5.805 -13.074 -12.180
13 HB2 SER 3 1HB SER 3 -4.067 -14.584 -11.459
14 HB3 SER 3 2HB SER 3 -3.960 -14.414 -13.214
15 HG SER 3 HG SER 3 -1.902 -14.251 -12.276
16 H GLY 4 H GLY 4 -5.047 -13.452 -9.755
17 HA2 GLY 4 1HA GLY 4 -5.151 -11.007 -8.339
18 HA3 GLY 4 2HA GLY 4 -4.669 -12.566 -7.661
19 H SER 5 H SER 5 -2.331 -12.754 -9.545
20 HA SER 5 HA SER 5 -0.277 -11.519 -8.006
21 HB2 SER 5 1HB SER 5 -0.158 -12.617 -10.839
22 HB3 SER 5 2HB SER 5 1.221 -12.326 -9.763
23 HG SER 5 HG SER 5 0.536 -14.526 -9.730
24 H SER 6 H SER 6 -2.242 -10.113 -10.506
25 HA SER 6 HA SER 6 -0.387 -7.988 -11.235
26 HB2 SER 6 1HB SER 6 -3.403 -8.162 -11.561
27 HB3 SER 6 2HB SER 6 -2.333 -6.964 -12.310
28 HG SER 6 HG SER 6 -2.673 -8.585 -13.792
29 H GLY 7 H GLY 7 -1.714 -8.559 -8.269
30 HA2 GLY 7 1HA GLY 7 -1.511 -7.177 -6.394
31 HA3 GLY 7 2HA GLY 7 -1.368 -5.749 -7.419
32 H ILE 8 H ILE 8 -3.874 -8.308 -7.096
33 HA ILE 8 HA ILE 8 -6.056 -6.532 -7.515
34 HB ILE 8 HB ILE 8 -5.994 -8.944 -8.011
35 HG12 ILE 8 1HG1 ILE 8 -8.378 -8.213 -6.270
36 HG13 ILE 8 2HG1 ILE 8 -8.103 -7.597 -7.904
37 HG21 ILE 8 1HG2 ILE 8 -6.416 -10.638 -6.302
38 HG22 ILE 8 2HG2 ILE 8 -4.974 -9.735 -5.845
39 HG23 ILE 8 3HG2 ILE 8 -6.520 -9.409 -5.036
40 HD11 ILE 8 3HD1 ILE 8 -8.545 -10.511 -7.134
41 HD12 ILE 8 1HD1 ILE 8 -9.650 -9.446 -8.016
42 HD13 ILE 8 2HD1 ILE 8 -8.121 -9.946 -8.770
43 H LYS 9 H LYS 9 -4.396 -7.296 -4.575
44 HA LYS 9 HA LYS 9 -6.146 -5.409 -3.062
45 HB2 LYS 9 1HB LYS 9 -4.972 -8.021 -2.020
46 HB3 LYS 9 2HB LYS 9 -5.611 -6.735 -0.987
47 HG2 LYS 9 1HG LYS 9 -7.834 -6.935 -2.063
48 HG3 LYS 9 2HG LYS 9 -7.216 -8.194 -3.132
49 HD2 LYS 9 1HD LYS 9 -8.454 -9.251 -1.389
50 HD3 LYS 9 2HD LYS 9 -6.744 -9.642 -1.161
51 HE2 LYS 9 1HE LYS 9 -6.574 -7.923 0.614
52 HE3 LYS 9 2HE LYS 9 -8.253 -7.440 0.329
53 HZ1 LYS 9 3HZ LYS 9 -8.077 -8.962 2.215
54 HZ2 LYS 9 1HZ LYS 9 -7.401 -10.123 1.287
55 HZ3 LYS 9 2HZ LYS 9 -8.948 -9.665 1.030
56 H GLN 10 H GLN 10 -5.043 -4.233 -1.392
57 HA GLN 10 HA GLN 10 -2.574 -3.177 -2.486
58 HB2 GLN 10 1HB GLN 10 -3.870 -2.401 0.142
59 HB3 GLN 10 2HB GLN 10 -2.705 -1.493 -0.774
60 HG2 GLN 10 1HG GLN 10 -4.771 -0.431 -1.090
61 HG3 GLN 10 2HG GLN 10 -4.394 -1.226 -2.618
62 HE21 GLN 10 1HE2 GLN 10 -5.976 -2.424 0.484
63 HE22 GLN 10 2HE2 GLN 10 -7.444 -2.902 -0.356
64 H HIS 11 H HIS 11 -0.568 -3.914 -2.074
65 HA HIS 11 HA HIS 11 0.168 -4.431 0.713
66 HB2 HIS 11 1HB HIS 11 1.375 -6.460 0.282
67 HB3 HIS 11 2HB HIS 11 -0.299 -6.680 -0.208
68 HD1 HIS 11 1HD HIS 11 3.211 -6.204 -1.788
69 HD2 HIS 11 2HD HIS 11 -0.750 -7.256 -2.783
70 HE1 HIS 11 1HE HIS 11 3.284 -7.120 -4.169
71 H CYS 12 H CYS 12 2.336 -4.143 1.214
72 HA CYS 12 HA CYS 12 3.822 -2.164 -0.208
73 HB2 CYS 12 1HB CYS 12 3.874 -2.550 2.211
74 HB3 CYS 12 2HB CYS 12 4.639 -4.125 1.950
75 H ARG 13 H ARG 13 5.692 -2.288 -1.324
76 HA ARG 13 HA ARG 13 6.234 -4.730 -2.947
77 HB2 ARG 13 1HB ARG 13 5.880 -2.533 -4.026
78 HB3 ARG 13 2HB ARG 13 7.247 -1.859 -3.141
79 HG2 ARG 13 1HG ARG 13 8.795 -3.387 -4.304
80 HG3 ARG 13 2HG ARG 13 7.442 -4.145 -5.160
81 HD2 ARG 13 1HD ARG 13 8.232 -1.204 -5.346
82 HD3 ARG 13 2HD ARG 13 8.732 -2.456 -6.495
83 HE ARG 13 HE ARG 13 5.934 -2.607 -6.388
84 HH11 ARG 13 2HH1 ARG 13 8.262 -0.203 -7.423
85 HH12 ARG 13 1HH1 ARG 13 7.160 0.504 -8.572
86 HH21 ARG 13 2HH2 ARG 13 4.574 -1.653 -7.867
87 HH22 ARG 13 1HH2 ARG 13 5.128 -0.306 -8.814
88 H PHE 14 H PHE 14 7.562 -2.979 -0.265
89 HA PHE 14 HA PHE 14 10.270 -4.184 -0.640
90 HB2 PHE 14 1HB PHE 14 9.432 -1.816 1.041
91 HB3 PHE 14 2HB PHE 14 11.070 -2.310 0.651
92 HD1 PHE 14 2HD PHE 14 11.887 -2.128 -1.758
93 HD2 PHE 14 1HD PHE 14 8.137 -0.441 -0.457
94 HE1 PHE 14 2HE PHE 14 11.826 -0.691 -3.784
95 HE2 PHE 14 1HE PHE 14 8.085 0.999 -2.480
96 HZ PHE 14 HZ PHE 14 9.929 0.878 -4.145
97 H CYS 15 H CYS 15 7.631 -4.027 1.714
98 HA CYS 15 HA CYS 15 9.040 -6.090 3.318
99 HB2 CYS 15 1HB CYS 15 8.577 -5.078 5.379
100 HB3 CYS 15 2HB CYS 15 9.373 -3.887 4.369
101 H LYS 16 H LYS 16 6.551 -5.682 1.433
102 HA LYS 16 HA LYS 16 4.678 -6.811 0.910
103 HB2 LYS 16 1HB LYS 16 5.839 -9.044 2.580
104 HB3 LYS 16 2HB LYS 16 4.775 -9.187 1.187
105 HG2 LYS 16 1HG LYS 16 7.679 -8.268 1.164
106 HG3 LYS 16 2HG LYS 16 7.030 -9.802 0.595
107 HD2 LYS 16 1HD LYS 16 5.747 -8.591 -1.189
108 HD3 LYS 16 2HD LYS 16 6.424 -7.067 -0.607
109 HE2 LYS 16 1HE LYS 16 7.705 -7.682 -2.501
110 HE3 LYS 16 2HE LYS 16 8.724 -7.893 -1.076
111 HZ1 LYS 16 3HZ LYS 16 7.301 -10.090 -2.497
112 HZ2 LYS 16 1HZ LYS 16 8.280 -10.293 -1.201
113 HZ3 LYS 16 2HZ LYS 16 8.896 -9.774 -2.618
114 H LYS 17 H LYS 17 4.502 -5.457 3.735
115 HA LYS 17 HA LYS 17 2.320 -6.806 5.054
116 HB2 LYS 17 1HB LYS 17 3.127 -3.872 5.074
117 HB3 LYS 17 2HB LYS 17 1.946 -4.623 6.164
118 HG2 LYS 17 1HG LYS 17 3.660 -6.029 7.169
119 HG3 LYS 17 2HG LYS 17 4.847 -5.528 5.955
120 HD2 LYS 17 1HD LYS 17 4.658 -3.162 6.792
121 HD3 LYS 17 2HD LYS 17 3.581 -3.737 8.068
122 HE2 LYS 17 1HE LYS 17 5.858 -3.459 8.907
123 HE3 LYS 17 2HE LYS 17 5.372 -5.155 8.988
124 HZ1 LYS 17 3HZ LYS 17 6.979 -4.049 6.736
125 HZ2 LYS 17 1HZ LYS 17 6.702 -5.615 7.059
126 HZ3 LYS 17 2HZ LYS 17 7.658 -4.748 8.065
127 H LYS 18 H LYS 18 0.137 -6.336 5.094
128 HA LYS 18 HA LYS 18 -1.065 -5.442 2.528
129 HB2 LYS 18 1HB LYS 18 -2.090 -6.945 4.950
130 HB3 LYS 18 2HB LYS 18 -3.133 -6.466 3.594
131 HG2 LYS 18 1HG LYS 18 -1.725 -7.749 2.019
132 HG3 LYS 18 2HG LYS 18 -0.680 -8.274 3.342
133 HD2 LYS 18 1HD LYS 18 -3.655 -8.904 3.108
134 HD3 LYS 18 2HD LYS 18 -2.338 -9.989 2.639
135 HE2 LYS 18 1HE LYS 18 -1.476 -9.948 4.983
136 HE3 LYS 18 2HE LYS 18 -2.840 -8.926 5.457
137 HZ1 LYS 18 3HZ LYS 18 -3.284 -11.265 5.923
138 HZ2 LYS 18 1HZ LYS 18 -3.078 -11.678 4.359
139 HZ3 LYS 18 2HZ LYS 18 -4.339 -10.733 4.800
140 H TYR 19 H TYR 19 -2.698 -3.921 2.350
141 HA TYR 19 HA TYR 19 -3.218 -2.141 4.689
142 HB2 TYR 19 1HB TYR 19 -2.052 -1.346 2.012
143 HB3 TYR 19 2HB TYR 19 -2.946 -0.196 3.001
144 HD1 TYR 19 1HD TYR 19 -2.241 0.303 5.352
145 HD2 TYR 19 2HD TYR 19 0.230 -1.995 2.659
146 HE1 TYR 19 1HE TYR 19 -0.325 0.509 6.929
147 HE2 TYR 19 2HE TYR 19 2.146 -1.769 4.229
148 HH TYR 19 HH TYR 19 2.842 -1.000 6.279
149 H SER 20 H SER 20 -5.018 -0.821 4.655
150 HA SER 20 HA SER 20 -7.352 -2.127 3.576
151 HB2 SER 20 1HB SER 20 -8.526 -0.332 4.873
152 HB3 SER 20 2HB SER 20 -7.359 -1.277 5.812
153 HG SER 20 HG SER 20 -7.114 0.931 6.234
154 H ASP 21 H ASP 21 -5.499 0.635 2.513
155 HA ASP 21 HA ASP 21 -7.285 1.089 0.221
156 HB2 ASP 21 1HB ASP 21 -8.184 2.498 2.125
157 HB3 ASP 21 2HB ASP 21 -6.632 3.330 2.186
158 H VAL 22 H VAL 22 -6.255 2.330 -1.475
159 HA VAL 22 HA VAL 22 -3.463 1.889 -1.777
160 HB VAL 22 HB VAL 22 -5.159 2.194 -3.578
161 HG11 VAL 22 1HG1 VAL 22 -4.722 5.179 -3.279
162 HG12 VAL 22 2HG1 VAL 22 -5.679 4.340 -4.508
163 HG13 VAL 22 3HG1 VAL 22 -6.212 4.317 -2.821
164 HG21 VAL 22 3HG2 VAL 22 -2.747 2.093 -4.041
165 HG22 VAL 22 1HG2 VAL 22 -3.604 3.128 -5.195
166 HG23 VAL 22 2HG2 VAL 22 -2.648 3.859 -3.892
167 H LYS 23 H LYS 23 -5.215 4.724 -0.505
168 HA LYS 23 HA LYS 23 -2.893 6.414 -0.631
169 HB2 LYS 23 1HB LYS 23 -5.450 6.670 1.018
170 HB3 LYS 23 2HB LYS 23 -4.199 7.915 0.911
171 HG2 LYS 23 1HG LYS 23 -4.538 8.108 -1.525
172 HG3 LYS 23 2HG LYS 23 -5.737 6.811 -1.484
173 HD2 LYS 23 1HD LYS 23 -6.891 8.909 -1.608
174 HD3 LYS 23 2HD LYS 23 -7.194 8.185 -0.022
175 HE2 LYS 23 1HE LYS 23 -5.486 9.680 0.990
176 HE3 LYS 23 2HE LYS 23 -5.131 10.364 -0.602
177 HZ1 LYS 23 3HZ LYS 23 -7.753 10.556 0.789
178 HZ2 LYS 23 1HZ LYS 23 -7.423 11.192 -0.680
179 HZ3 LYS 23 2HZ LYS 23 -6.672 11.768 0.646
180 H ASN 24 H ASN 24 -4.152 4.205 1.816
181 HA ASN 24 HA ASN 24 -2.230 4.911 3.893
182 HB2 ASN 24 1HB ASN 24 -4.064 2.519 3.461
183 HB3 ASN 24 2HB ASN 24 -2.962 2.650 4.828
184 HD21 ASN 24 1HD2 ASN 24 -5.870 2.487 5.015
185 HD22 ASN 24 2HD2 ASN 24 -6.346 3.993 5.782
186 H LEU 25 H LEU 25 -2.274 2.483 1.256
187 HA LEU 25 HA LEU 25 0.272 1.325 1.860
188 HB2 LEU 25 1HB LEU 25 -1.289 0.263 0.345
189 HB3 LEU 25 2HB LEU 25 -1.280 1.651 -0.736
190 HG LEU 25 HG LEU 25 1.074 1.238 -1.329
191 HD11 LEU 25 1HD1 LEU 25 0.811 -1.224 0.451
192 HD12 LEU 25 2HD1 LEU 25 1.893 0.157 0.737
193 HD13 LEU 25 3HD1 LEU 25 2.149 -0.877 -0.666
194 HD21 LEU 25 3HD2 LEU 25 0.736 -0.760 -2.646
195 HD22 LEU 25 1HD2 LEU 25 -0.766 0.180 -2.621
196 HD23 LEU 25 2HD2 LEU 25 -0.604 -1.277 -1.610
197 H ILE 26 H ILE 26 -0.528 4.086 -0.345
198 HA ILE 26 HA ILE 26 2.205 4.628 -1.024
199 HB ILE 26 HB ILE 26 -0.305 6.329 -1.146
200 HG12 ILE 26 1HG1 ILE 26 1.372 5.014 -3.344
201 HG13 ILE 26 2HG1 ILE 26 -0.033 4.247 -2.621
202 HG21 ILE 26 1HG2 ILE 26 1.590 7.887 -0.968
203 HG22 ILE 26 2HG2 ILE 26 2.482 6.985 -2.217
204 HG23 ILE 26 3HG2 ILE 26 1.001 7.883 -2.616
205 HD11 ILE 26 3HD1 ILE 26 -0.055 6.810 -4.254
206 HD12 ILE 26 1HD1 ILE 26 -0.709 5.230 -4.695
207 HD13 ILE 26 2HD1 ILE 26 -1.461 6.155 -3.379
208 H LYS 27 H LYS 27 0.159 5.991 1.591
209 HA LYS 27 HA LYS 27 2.078 7.747 2.749
210 HB2 LYS 27 1HB LYS 27 -0.287 7.745 3.293
211 HB3 LYS 27 2HB LYS 27 -0.174 6.104 3.945
212 HG2 LYS 27 1HG LYS 27 1.144 6.869 5.835
213 HG3 LYS 27 2HG LYS 27 1.305 8.486 5.130
214 HD2 LYS 27 1HD LYS 27 -0.387 8.395 6.955
215 HD3 LYS 27 2HD LYS 27 -1.065 8.924 5.407
216 HE2 LYS 27 1HE LYS 27 -1.926 6.634 4.996
217 HE3 LYS 27 2HE LYS 27 -1.265 6.092 6.544
218 HZ1 LYS 27 3HZ LYS 27 -3.321 8.222 6.252
219 HZ2 LYS 27 1HZ LYS 27 -2.812 7.562 7.661
220 HZ3 LYS 27 2HZ LYS 27 -3.658 6.661 6.577
221 H HIS 28 H HIS 28 1.590 4.230 3.381
222 HA HIS 28 HA HIS 28 3.713 3.943 5.272
223 HB2 HIS 28 1HB HIS 28 2.112 2.191 5.049
224 HB3 HIS 28 2HB HIS 28 2.385 2.032 3.321
225 HD1 HIS 28 1HD HIS 28 4.335 1.368 6.597
226 HD2 HIS 28 2HD HIS 28 4.216 0.338 2.520
227 HE1 HIS 28 1HE HIS 28 6.033 -0.483 6.310
228 H ILE 29 H ILE 29 3.785 3.539 1.686
229 HA ILE 29 HA ILE 29 6.567 2.889 1.550
230 HB ILE 29 HB ILE 29 4.689 4.079 -0.509
231 HG12 ILE 29 1HG1 ILE 29 5.747 1.221 -0.338
232 HG13 ILE 29 2HG1 ILE 29 4.254 1.703 0.446
233 HG21 ILE 29 1HG2 ILE 29 6.347 3.358 -2.223
234 HG22 ILE 29 2HG2 ILE 29 7.027 4.586 -1.172
235 HG23 ILE 29 3HG2 ILE 29 7.461 2.880 -0.930
236 HD11 ILE 29 3HD1 ILE 29 3.324 2.447 -1.749
237 HD12 ILE 29 1HD1 ILE 29 4.782 1.811 -2.548
238 HD13 ILE 29 2HD1 ILE 29 3.708 0.715 -1.675
239 H ARG 30 H ARG 30 4.941 6.079 1.312
240 HA ARG 30 HA ARG 30 7.389 7.586 0.951
241 HB2 ARG 30 1HB ARG 30 4.588 8.363 1.853
242 HB3 ARG 30 2HB ARG 30 5.898 9.529 1.620
243 HG2 ARG 30 1HG ARG 30 6.128 8.886 -0.743
244 HG3 ARG 30 2HG ARG 30 4.883 7.649 -0.561
245 HD2 ARG 30 1HD ARG 30 3.849 9.556 -1.588
246 HD3 ARG 30 2HD ARG 30 3.232 9.409 0.052
247 HE ARG 30 HE ARG 30 4.230 11.423 0.641
248 HH11 ARG 30 2HH1 ARG 30 5.484 10.562 -2.521
249 HH12 ARG 30 1HH1 ARG 30 6.229 12.121 -2.743
250 HH21 ARG 30 2HH2 ARG 30 5.212 13.377 0.289
251 HH22 ARG 30 1HH2 ARG 30 6.075 13.665 -1.193
252 H ASP 31 H ASP 31 5.932 6.291 3.847
253 HA ASP 31 HA ASP 31 7.559 8.001 5.612
254 HB2 ASP 31 1HB ASP 31 5.238 7.372 6.173
255 HB3 ASP 31 2HB ASP 31 5.718 5.673 6.246
256 H MET 32 H MET 32 7.579 4.574 4.553
257 HA MET 32 HA MET 32 10.020 4.098 6.210
258 HB2 MET 32 1HB MET 32 8.011 2.120 5.078
259 HB3 MET 32 2HB MET 32 9.402 1.746 6.099
260 HG2 MET 32 1HG MET 32 8.361 3.419 7.799
261 HG3 MET 32 2HG MET 32 6.896 3.272 6.824
262 HE1 MET 32 3HE MET 32 8.779 -0.030 9.479
263 HE2 MET 32 1HE MET 32 9.643 0.572 8.052
264 HE3 MET 32 2HE MET 32 9.298 1.667 9.409
265 H HIS 33 H HIS 33 9.146 4.236 2.828
266 HA HIS 33 HA HIS 33 11.706 2.896 2.072
267 HB2 HIS 33 1HB HIS 33 9.059 2.433 0.684
268 HB3 HIS 33 2HB HIS 33 10.576 1.580 0.422
269 HD1 HIS 33 1HD HIS 33 11.315 0.421 3.168
270 HD2 HIS 33 2HD HIS 33 7.383 0.871 1.763
271 HE1 HIS 33 1HE HIS 33 9.925 -1.275 4.459
272 H ASP 34 H ASP 34 10.946 5.806 2.118
273 HA ASP 34 HA ASP 34 10.245 6.713 -0.442
274 HB2 ASP 34 1HB ASP 34 10.927 8.899 0.266
275 HB3 ASP 34 2HB ASP 34 10.020 8.074 1.521
276 HA PRO 35 HA PRO 35 14.019 6.064 -2.781
277 HB2 PRO 35 1HB PRO 35 12.888 8.261 -4.520
278 HB3 PRO 35 2HB PRO 35 13.595 6.686 -5.002
279 HG2 PRO 35 1HG PRO 35 10.909 7.008 -4.958
280 HG3 PRO 35 2HG PRO 35 11.637 5.509 -4.289
281 HD2 PRO 35 1HD PRO 35 10.668 7.957 -2.784
282 HD3 PRO 35 2HD PRO 35 10.401 6.222 -2.443
283 H GLN 36 H GLN 36 16.054 6.897 -2.732
284 HA GLN 36 HA GLN 36 16.603 9.763 -2.424
285 HB2 GLN 36 1HB GLN 36 17.569 7.668 -0.424
286 HB3 GLN 36 2HB GLN 36 18.159 9.332 -0.539
287 HG2 GLN 36 1HG GLN 36 15.856 10.164 -0.022
288 HG3 GLN 36 2HG GLN 36 15.318 8.494 0.164
289 HE21 GLN 36 1HE2 GLN 36 14.642 9.310 2.330
290 HE22 GLN 36 2HE2 GLN 36 15.864 9.300 3.613
291 H ASP 37 H ASP 37 18.497 10.316 -3.302
292 HA ASP 37 HA ASP 37 20.535 8.342 -4.167
293 HB2 ASP 37 1HB ASP 37 18.945 8.482 -6.044
294 HB3 ASP 37 2HB ASP 37 19.104 10.235 -6.074
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -14.344 -10.748 5.251
2 H2 GLY 1 2H GLY 1 -13.253 -10.896 4.037
3 H3 GLY 1 3H GLY 1 -14.741 -10.281 3.732
4 HA2 GLY 1 1HA GLY 1 -14.292 -8.349 5.105
5 HA3 GLY 1 2HA GLY 1 -12.686 -9.021 5.435
6 H SER 2 H SER 2 -14.394 -6.906 3.484
7 HA SER 2 HA SER 2 -12.387 -6.944 1.258
8 HB2 SER 2 1HB SER 2 -15.406 -6.675 0.995
9 HB3 SER 2 2HB SER 2 -14.224 -6.607 -0.321
10 HG SER 2 HG SER 2 -15.203 -8.685 -0.107
11 H SER 3 H SER 3 -11.979 -4.955 0.250
12 HA SER 3 HA SER 3 -13.167 -2.488 1.457
13 HB2 SER 3 1HB SER 3 -10.187 -3.007 1.166
14 HB3 SER 3 2HB SER 3 -10.951 -1.513 1.744
15 HG SER 3 HG SER 3 -11.847 -2.733 3.477
16 H GLY 4 H GLY 4 -13.150 -0.637 0.212
17 HA2 GLY 4 1HA GLY 4 -13.096 0.663 -1.706
18 HA3 GLY 4 2HA GLY 4 -11.928 -0.444 -2.420
19 H SER 5 H SER 5 -13.493 0.378 -4.259
20 HA SER 5 HA SER 5 -16.121 -0.759 -4.479
21 HB2 SER 5 1HB SER 5 -15.967 0.021 -6.835
22 HB3 SER 5 2HB SER 5 -15.553 1.264 -5.642
23 HG SER 5 HG SER 5 -14.053 1.189 -7.393
24 H SER 6 H SER 6 -12.954 -2.001 -5.423
25 HA SER 6 HA SER 6 -14.042 -4.284 -6.930
26 HB2 SER 6 1HB SER 6 -11.675 -4.890 -7.171
27 HB3 SER 6 2HB SER 6 -11.949 -3.192 -7.604
28 HG SER 6 HG SER 6 -10.167 -3.271 -6.259
29 H GLY 7 H GLY 7 -13.341 -3.596 -3.623
30 HA2 GLY 7 1HA GLY 7 -13.536 -4.908 -1.728
31 HA3 GLY 7 2HA GLY 7 -13.753 -6.351 -2.718
32 H ILE 8 H ILE 8 -11.009 -4.950 -3.956
33 HA ILE 8 HA ILE 8 -9.406 -7.107 -2.862
34 HB ILE 8 HB ILE 8 -8.818 -4.986 -4.950
35 HG12 ILE 8 1HG1 ILE 8 -9.525 -7.950 -5.231
36 HG13 ILE 8 2HG1 ILE 8 -10.648 -6.622 -5.495
37 HG21 ILE 8 1HG2 ILE 8 -6.899 -6.421 -5.632
38 HG22 ILE 8 2HG2 ILE 8 -6.691 -5.751 -4.037
39 HG23 ILE 8 3HG2 ILE 8 -7.182 -7.455 -4.215
40 HD11 ILE 8 3HD1 ILE 8 -9.171 -5.773 -7.344
41 HD12 ILE 8 1HD1 ILE 8 -8.230 -7.280 -7.197
42 HD13 ILE 8 2HD1 ILE 8 -9.940 -7.345 -7.633
43 H LYS 9 H LYS 9 -7.658 -7.085 -1.584
44 HA LYS 9 HA LYS 9 -6.956 -4.656 -0.034
45 HB2 LYS 9 1HB LYS 9 -5.990 -7.535 0.172
46 HB3 LYS 9 2HB LYS 9 -5.480 -6.227 1.230
47 HG2 LYS 9 1HG LYS 9 -8.330 -7.292 1.001
48 HG3 LYS 9 2HG LYS 9 -7.160 -7.675 2.265
49 HD2 LYS 9 1HD LYS 9 -7.080 -5.190 2.833
50 HD3 LYS 9 2HD LYS 9 -8.466 -4.976 1.734
51 HE2 LYS 9 1HE LYS 9 -9.734 -6.681 3.057
52 HE3 LYS 9 2HE LYS 9 -8.353 -6.845 4.147
53 HZ1 LYS 9 3HZ LYS 9 -9.983 -4.387 3.762
54 HZ2 LYS 9 1HZ LYS 9 -8.640 -4.428 4.678
55 HZ3 LYS 9 2HZ LYS 9 -9.943 -5.321 5.100
56 H GLN 10 H GLN 10 -4.987 -3.754 0.068
57 HA GLN 10 HA GLN 10 -3.242 -3.962 -2.347
58 HB2 GLN 10 1HB GLN 10 -3.926 -1.779 -0.346
59 HB3 GLN 10 2HB GLN 10 -2.481 -1.676 -1.332
60 HG2 GLN 10 1HG GLN 10 -4.409 -0.422 -2.272
61 HG3 GLN 10 2HG GLN 10 -3.696 -1.597 -3.373
62 HE21 GLN 10 1HE2 GLN 10 -6.470 -1.340 -0.995
63 HE22 GLN 10 2HE2 GLN 10 -7.479 -2.437 -1.939
64 H HIS 11 H HIS 11 -0.849 -3.809 -2.002
65 HA HIS 11 HA HIS 11 0.069 -4.425 0.720
66 HB2 HIS 11 1HB HIS 11 1.223 -6.437 0.187
67 HB3 HIS 11 2HB HIS 11 -0.453 -6.637 -0.291
68 HD1 HIS 11 1HD HIS 11 3.057 -6.246 -1.824
69 HD2 HIS 11 2HD HIS 11 -0.939 -7.004 -2.926
70 HE1 HIS 11 1HE HIS 11 3.119 -7.034 -4.251
71 H CYS 12 H CYS 12 2.249 -4.206 1.146
72 HA CYS 12 HA CYS 12 3.759 -2.248 -0.372
73 HB2 CYS 12 1HB CYS 12 3.791 -2.465 2.085
74 HB3 CYS 12 2HB CYS 12 4.537 -4.065 1.929
75 H ARG 13 H ARG 13 5.602 -2.531 -1.526
76 HA ARG 13 HA ARG 13 6.132 -5.240 -2.694
77 HB2 ARG 13 1HB ARG 13 7.168 -4.149 -4.544
78 HB3 ARG 13 2HB ARG 13 5.576 -3.438 -4.284
79 HG2 ARG 13 1HG ARG 13 6.638 -1.500 -3.124
80 HG3 ARG 13 2HG ARG 13 8.234 -2.207 -3.410
81 HD2 ARG 13 1HD ARG 13 6.254 -1.310 -5.541
82 HD3 ARG 13 2HD ARG 13 7.684 -0.418 -5.033
83 HE ARG 13 HE ARG 13 7.562 -2.653 -6.878
84 HH11 ARG 13 2HH1 ARG 13 9.791 -1.109 -4.643
85 HH12 ARG 13 1HH1 ARG 13 11.184 -1.703 -5.503
86 HH21 ARG 13 2HH2 ARG 13 9.385 -3.379 -7.897
87 HH22 ARG 13 1HH2 ARG 13 10.956 -2.953 -7.287
88 H PHE 14 H PHE 14 7.426 -3.094 -0.405
89 HA PHE 14 HA PHE 14 10.232 -4.038 -0.767
90 HB2 PHE 14 1HB PHE 14 9.122 -1.865 1.010
91 HB3 PHE 14 2HB PHE 14 10.811 -2.186 0.694
92 HD1 PHE 14 2HD PHE 14 11.841 -1.527 -1.468
93 HD2 PHE 14 1HD PHE 14 7.725 -0.620 -0.553
94 HE1 PHE 14 2HE PHE 14 11.827 0.215 -3.240
95 HE2 PHE 14 1HE PHE 14 7.710 1.109 -2.335
96 HZ PHE 14 HZ PHE 14 9.762 1.538 -3.674
97 H CYS 15 H CYS 15 7.612 -3.989 1.653
98 HA CYS 15 HA CYS 15 9.083 -6.018 3.252
99 HB2 CYS 15 1HB CYS 15 8.614 -4.952 5.292
100 HB3 CYS 15 2HB CYS 15 9.401 -3.792 4.235
101 H LYS 16 H LYS 16 6.527 -5.729 1.419
102 HA LYS 16 HA LYS 16 4.660 -6.926 1.012
103 HB2 LYS 16 1HB LYS 16 5.956 -9.064 2.707
104 HB3 LYS 16 2HB LYS 16 4.834 -9.288 1.371
105 HG2 LYS 16 1HG LYS 16 7.703 -8.282 1.173
106 HG3 LYS 16 2HG LYS 16 7.081 -9.860 0.702
107 HD2 LYS 16 1HD LYS 16 5.674 -8.771 -1.066
108 HD3 LYS 16 2HD LYS 16 6.325 -7.201 -0.585
109 HE2 LYS 16 1HE LYS 16 7.537 -7.864 -2.511
110 HE3 LYS 16 2HE LYS 16 8.627 -7.976 -1.132
111 HZ1 LYS 16 3HZ LYS 16 8.788 -9.920 -2.592
112 HZ2 LYS 16 1HZ LYS 16 7.213 -10.280 -2.380
113 HZ3 LYS 16 2HZ LYS 16 8.259 -10.392 -1.127
114 H LYS 17 H LYS 17 4.507 -5.398 3.677
115 HA LYS 17 HA LYS 17 2.382 -6.707 5.161
116 HB2 LYS 17 1HB LYS 17 3.169 -3.774 4.955
117 HB3 LYS 17 2HB LYS 17 1.993 -4.446 6.103
118 HG2 LYS 17 1HG LYS 17 3.712 -5.782 7.194
119 HG3 LYS 17 2HG LYS 17 4.895 -5.359 5.946
120 HD2 LYS 17 1HD LYS 17 4.704 -2.947 6.628
121 HD3 LYS 17 2HD LYS 17 3.628 -3.437 7.941
122 HE2 LYS 17 1HE LYS 17 5.912 -3.105 8.755
123 HE3 LYS 17 2HE LYS 17 5.418 -4.789 8.953
124 HZ1 LYS 17 3HZ LYS 17 7.706 -4.460 8.004
125 HZ2 LYS 17 1HZ LYS 17 7.027 -3.853 6.628
126 HZ3 LYS 17 2HZ LYS 17 6.743 -5.392 7.064
127 H LYS 18 H LYS 18 0.193 -5.872 5.342
128 HA LYS 18 HA LYS 18 -1.021 -5.426 2.639
129 HB2 LYS 18 1HB LYS 18 -1.876 -7.104 5.009
130 HB3 LYS 18 2HB LYS 18 -2.914 -6.791 3.598
131 HG2 LYS 18 1HG LYS 18 -1.197 -7.840 2.114
132 HG3 LYS 18 2HG LYS 18 -0.179 -8.151 3.518
133 HD2 LYS 18 1HD LYS 18 -1.274 -10.206 3.035
134 HD3 LYS 18 2HD LYS 18 -1.982 -9.562 4.509
135 HE2 LYS 18 1HE LYS 18 -3.780 -10.427 3.234
136 HE3 LYS 18 2HE LYS 18 -3.915 -8.673 3.129
137 HZ1 LYS 18 3HZ LYS 18 -4.200 -9.771 0.958
138 HZ2 LYS 18 1HZ LYS 18 -2.717 -10.431 1.043
139 HZ3 LYS 18 2HZ LYS 18 -2.879 -8.809 0.910
140 H TYR 19 H TYR 19 -2.788 -4.186 2.375
141 HA TYR 19 HA TYR 19 -3.634 -2.344 4.565
142 HB2 TYR 19 1HB TYR 19 -2.605 -1.560 1.804
143 HB3 TYR 19 2HB TYR 19 -3.311 -0.453 2.978
144 HD1 TYR 19 1HD TYR 19 -2.139 0.107 5.084
145 HD2 TYR 19 2HD TYR 19 -0.338 -2.445 2.107
146 HE1 TYR 19 1HE TYR 19 0.016 0.195 6.317
147 HE2 TYR 19 2HE TYR 19 1.818 -2.371 3.354
148 HH TYR 19 HH TYR 19 2.141 -0.640 6.469
149 H SER 20 H SER 20 -5.672 -1.514 4.433
150 HA SER 20 HA SER 20 -7.599 -2.730 2.604
151 HB2 SER 20 1HB SER 20 -7.901 -0.574 4.724
152 HB3 SER 20 2HB SER 20 -9.233 -1.405 3.903
153 HG SER 20 HG SER 20 -8.530 -2.265 6.025
154 H ASP 21 H ASP 21 -5.613 0.048 2.352
155 HA ASP 21 HA ASP 21 -7.263 1.239 0.187
156 HB2 ASP 21 1HB ASP 21 -8.050 2.314 2.216
157 HB3 ASP 21 2HB ASP 21 -6.396 2.614 2.758
158 H VAL 22 H VAL 22 -6.124 2.333 -1.362
159 HA VAL 22 HA VAL 22 -3.319 1.732 -1.599
160 HB VAL 22 HB VAL 22 -4.931 1.835 -3.459
161 HG11 VAL 22 1HG1 VAL 22 -6.107 3.946 -2.960
162 HG12 VAL 22 2HG1 VAL 22 -4.630 4.852 -3.382
163 HG13 VAL 22 3HG1 VAL 22 -5.469 3.888 -4.606
164 HG21 VAL 22 3HG2 VAL 22 -2.494 1.800 -3.844
165 HG22 VAL 22 1HG2 VAL 22 -3.379 2.648 -5.123
166 HG23 VAL 22 2HG2 VAL 22 -2.490 3.577 -3.901
167 H LYS 23 H LYS 23 -4.987 4.656 -0.444
168 HA LYS 23 HA LYS 23 -2.616 6.279 -0.918
169 HB2 LYS 23 1HB LYS 23 -5.047 7.009 0.776
170 HB3 LYS 23 2HB LYS 23 -3.746 8.070 0.280
171 HG2 LYS 23 1HG LYS 23 -5.246 8.662 -1.319
172 HG3 LYS 23 2HG LYS 23 -4.426 7.365 -2.177
173 HD2 LYS 23 1HD LYS 23 -6.780 7.101 -2.534
174 HD3 LYS 23 2HD LYS 23 -6.305 5.812 -1.426
175 HE2 LYS 23 1HE LYS 23 -7.070 7.287 0.493
176 HE3 LYS 23 2HE LYS 23 -7.681 8.438 -0.705
177 HZ1 LYS 23 3HZ LYS 23 -9.112 6.606 -1.546
178 HZ2 LYS 23 1HZ LYS 23 -9.427 6.930 0.027
179 HZ3 LYS 23 2HZ LYS 23 -8.536 5.615 -0.364
180 H ASN 24 H ASN 24 -4.099 4.594 1.832
181 HA ASN 24 HA ASN 24 -2.081 5.275 3.780
182 HB2 ASN 24 1HB ASN 24 -4.006 2.938 3.510
183 HB3 ASN 24 2HB ASN 24 -2.885 3.090 4.861
184 HD21 ASN 24 1HD2 ASN 24 -5.652 3.034 5.293
185 HD22 ASN 24 2HD2 ASN 24 -6.115 4.618 5.895
186 H LEU 25 H LEU 25 -2.148 2.625 1.341
187 HA LEU 25 HA LEU 25 0.406 1.529 2.056
188 HB2 LEU 25 1HB LEU 25 -1.037 0.283 0.621
189 HB3 LEU 25 2HB LEU 25 -1.193 1.614 -0.517
190 HG LEU 25 HG LEU 25 1.170 1.381 -1.189
191 HD11 LEU 25 1HD1 LEU 25 2.124 0.404 0.892
192 HD12 LEU 25 2HD1 LEU 25 2.448 -0.593 -0.522
193 HD13 LEU 25 3HD1 LEU 25 1.178 -1.073 0.623
194 HD21 LEU 25 3HD2 LEU 25 0.928 -0.648 -2.453
195 HD22 LEU 25 1HD2 LEU 25 -0.648 0.156 -2.367
196 HD23 LEU 25 2HD2 LEU 25 -0.303 -1.258 -1.337
197 H ILE 26 H ILE 26 -0.415 4.164 -0.296
198 HA ILE 26 HA ILE 26 2.290 4.730 -1.013
199 HB ILE 26 HB ILE 26 -0.229 6.412 -1.069
200 HG12 ILE 26 1HG1 ILE 26 1.441 5.236 -3.342
201 HG13 ILE 26 2HG1 ILE 26 0.132 4.342 -2.587
202 HG21 ILE 26 1HG2 ILE 26 1.022 8.019 -2.525
203 HG22 ILE 26 2HG2 ILE 26 1.625 8.015 -0.879
204 HG23 ILE 26 3HG2 ILE 26 2.529 7.159 -2.152
205 HD11 ILE 26 3HD1 ILE 26 -0.168 6.961 -4.103
206 HD12 ILE 26 1HD1 ILE 26 -0.697 5.349 -4.602
207 HD13 ILE 26 2HD1 ILE 26 -1.477 6.140 -3.217
208 H LYS 27 H LYS 27 0.314 6.173 1.629
209 HA LYS 27 HA LYS 27 2.318 7.900 2.698
210 HB2 LYS 27 1HB LYS 27 -0.018 6.403 3.958
211 HB3 LYS 27 2HB LYS 27 0.980 7.530 4.876
212 HG2 LYS 27 1HG LYS 27 0.264 9.408 3.671
213 HG3 LYS 27 2HG LYS 27 -0.291 8.462 2.292
214 HD2 LYS 27 1HD LYS 27 -2.178 9.371 3.573
215 HD3 LYS 27 2HD LYS 27 -2.194 7.610 3.524
216 HE2 LYS 27 1HE LYS 27 -1.150 7.585 5.824
217 HE3 LYS 27 2HE LYS 27 -1.302 9.346 5.864
218 HZ1 LYS 27 3HZ LYS 27 -3.563 7.422 5.587
219 HZ2 LYS 27 1HZ LYS 27 -3.722 9.053 5.615
220 HZ3 LYS 27 2HZ LYS 27 -3.194 8.262 6.940
221 H HIS 28 H HIS 28 1.728 4.428 3.441
222 HA HIS 28 HA HIS 28 3.873 4.120 5.314
223 HB2 HIS 28 1HB HIS 28 2.255 2.396 5.166
224 HB3 HIS 28 2HB HIS 28 2.431 2.232 3.430
225 HD1 HIS 28 1HD HIS 28 4.321 1.298 6.642
226 HD2 HIS 28 2HD HIS 28 4.327 0.648 2.485
227 HE1 HIS 28 1HE HIS 28 5.927 -0.623 6.251
228 H ILE 29 H ILE 29 3.868 3.815 1.721
229 HA ILE 29 HA ILE 29 6.663 3.174 1.518
230 HB ILE 29 HB ILE 29 4.701 4.337 -0.478
231 HG12 ILE 29 1HG1 ILE 29 5.913 1.540 -0.347
232 HG13 ILE 29 2HG1 ILE 29 4.392 1.939 0.430
233 HG21 ILE 29 1HG2 ILE 29 6.343 3.764 -2.239
234 HG22 ILE 29 2HG2 ILE 29 6.996 4.983 -1.162
235 HG23 ILE 29 3HG2 ILE 29 7.513 3.291 -0.993
236 HD11 ILE 29 3HD1 ILE 29 4.930 2.079 -2.561
237 HD12 ILE 29 1HD1 ILE 29 3.921 0.918 -1.696
238 HD13 ILE 29 2HD1 ILE 29 3.430 2.622 -1.767
239 H ARG 30 H ARG 30 4.998 6.383 1.492
240 HA ARG 30 HA ARG 30 7.404 7.939 1.154
241 HB2 ARG 30 1HB ARG 30 4.889 8.703 2.712
242 HB3 ARG 30 2HB ARG 30 6.152 9.794 2.184
243 HG2 ARG 30 1HG ARG 30 4.034 8.450 0.526
244 HG3 ARG 30 2HG ARG 30 4.383 10.149 0.702
245 HD2 ARG 30 1HD ARG 30 6.084 8.114 -0.791
246 HD3 ARG 30 2HD ARG 30 4.981 9.300 -1.499
247 HE ARG 30 HE ARG 30 7.036 10.500 0.205
248 HH11 ARG 30 2HH1 ARG 30 6.368 9.528 -3.092
249 HH12 ARG 30 1HH1 ARG 30 7.549 10.627 -3.749
250 HH21 ARG 30 2HH2 ARG 30 8.558 11.839 -0.694
251 HH22 ARG 30 1HH2 ARG 30 8.777 11.873 -2.417
252 H ASP 31 H ASP 31 5.978 6.544 4.080
253 HA ASP 31 HA ASP 31 7.814 7.954 5.841
254 HB2 ASP 31 1HB ASP 31 5.451 7.375 6.381
255 HB3 ASP 31 2HB ASP 31 5.903 5.669 6.426
256 H MET 32 H MET 32 7.678 4.626 4.568
257 HA MET 32 HA MET 32 10.090 3.874 6.166
258 HB2 MET 32 1HB MET 32 7.927 2.209 4.824
259 HB3 MET 32 2HB MET 32 9.309 1.547 5.685
260 HG2 MET 32 1HG MET 32 7.164 3.324 6.902
261 HG3 MET 32 2HG MET 32 7.261 1.578 7.059
262 HE1 MET 32 3HE MET 32 10.315 0.999 9.415
263 HE2 MET 32 1HE MET 32 8.987 0.257 8.497
264 HE3 MET 32 2HE MET 32 10.378 0.970 7.644
265 H HIS 33 H HIS 33 9.139 4.291 2.803
266 HA HIS 33 HA HIS 33 11.673 3.015 1.877
267 HB2 HIS 33 1HB HIS 33 8.988 2.553 0.563
268 HB3 HIS 33 2HB HIS 33 10.504 1.722 0.244
269 HD1 HIS 33 1HD HIS 33 11.274 0.466 2.949
270 HD2 HIS 33 2HD HIS 33 7.328 0.978 1.614
271 HE1 HIS 33 1HE HIS 33 9.893 -1.255 4.211
272 H ASP 34 H ASP 34 11.299 5.798 2.131
273 HA ASP 34 HA ASP 34 10.016 7.085 0.070
274 HB2 ASP 34 1HB ASP 34 11.144 9.086 0.694
275 HB3 ASP 34 2HB ASP 34 10.756 8.157 2.131
276 HA PRO 35 HA PRO 35 12.658 6.458 -3.478
277 HB2 PRO 35 1HB PRO 35 11.449 8.056 -5.323
278 HB3 PRO 35 2HB PRO 35 10.693 6.557 -4.697
279 HG2 PRO 35 1HG PRO 35 10.212 9.410 -3.776
280 HG3 PRO 35 2HG PRO 35 8.995 8.159 -4.189
281 HD2 PRO 35 1HD PRO 35 9.775 8.657 -1.610
282 HD3 PRO 35 2HD PRO 35 9.352 7.009 -2.169
283 H GLN 36 H GLN 36 14.433 7.378 -4.462
284 HA GLN 36 HA GLN 36 15.063 10.239 -4.163
285 HB2 GLN 36 1HB GLN 36 16.839 7.985 -3.129
286 HB3 GLN 36 2HB GLN 36 17.354 9.654 -3.327
287 HG2 GLN 36 1HG GLN 36 15.170 8.689 -1.425
288 HG3 GLN 36 2HG GLN 36 16.813 9.093 -0.980
289 HE21 GLN 36 1HE2 GLN 36 14.462 10.328 0.155
290 HE22 GLN 36 2HE2 GLN 36 14.581 12.042 -0.265
291 H ASP 37 H ASP 37 16.144 10.988 -5.846
292 HA ASP 37 HA ASP 37 17.582 9.269 -7.775
293 HB2 ASP 37 1HB ASP 37 16.347 9.923 -9.667
294 HB3 ASP 37 2HB ASP 37 15.190 9.310 -8.506
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -12.852 -12.676 7.036
2 H2 GLY 1 2H GLY 1 -13.230 -13.573 8.358
3 H3 GLY 1 3H GLY 1 -14.241 -12.384 7.852
4 HA2 GLY 1 1HA GLY 1 -15.177 -14.475 7.215
5 HA3 GLY 1 2HA GLY 1 -14.662 -13.568 5.781
6 H SER 2 H SER 2 -14.830 -15.924 4.990
7 HA SER 2 HA SER 2 -12.915 -17.881 5.800
8 HB2 SER 2 1HB SER 2 -13.599 -19.059 3.714
9 HB3 SER 2 2HB SER 2 -14.938 -18.582 4.769
10 HG SER 2 HG SER 2 -15.357 -18.105 2.558
11 H SER 3 H SER 3 -11.093 -18.684 4.819
12 HA SER 3 HA SER 3 -8.976 -18.546 4.118
13 HB2 SER 3 1HB SER 3 -10.064 -17.013 1.742
14 HB3 SER 3 2HB SER 3 -8.480 -17.793 1.855
15 HG SER 3 HG SER 3 -11.026 -19.071 2.000
16 H GLY 4 H GLY 4 -10.206 -15.951 5.542
17 HA2 GLY 4 1HA GLY 4 -9.227 -14.176 6.625
18 HA3 GLY 4 2HA GLY 4 -7.655 -14.763 6.096
19 H SER 5 H SER 5 -7.319 -12.389 6.100
20 HA SER 5 HA SER 5 -7.028 -10.363 5.149
21 HB2 SER 5 1HB SER 5 -6.918 -11.944 2.568
22 HB3 SER 5 2HB SER 5 -6.247 -10.326 2.848
23 HG SER 5 HG SER 5 -5.519 -12.732 4.192
24 H SER 6 H SER 6 -9.808 -10.894 5.601
25 HA SER 6 HA SER 6 -11.438 -9.925 3.457
26 HB2 SER 6 1HB SER 6 -11.946 -9.724 6.449
27 HB3 SER 6 2HB SER 6 -13.153 -9.604 5.155
28 HG SER 6 HG SER 6 -12.542 -11.775 4.548
29 H GLY 7 H GLY 7 -11.952 -7.907 2.766
30 HA2 GLY 7 1HA GLY 7 -11.996 -5.613 2.568
31 HA3 GLY 7 2HA GLY 7 -11.634 -5.477 4.289
32 H ILE 8 H ILE 8 -9.306 -7.299 2.514
33 HA ILE 8 HA ILE 8 -7.385 -5.003 2.389
34 HB ILE 8 HB ILE 8 -7.061 -7.852 3.343
35 HG12 ILE 8 1HG1 ILE 8 -6.246 -5.190 4.587
36 HG13 ILE 8 2HG1 ILE 8 -7.760 -6.022 4.932
37 HG21 ILE 8 1HG2 ILE 8 -4.669 -7.606 3.436
38 HG22 ILE 8 2HG2 ILE 8 -5.179 -7.463 1.782
39 HG23 ILE 8 3HG2 ILE 8 -4.747 -5.991 2.690
40 HD11 ILE 8 3HD1 ILE 8 -6.244 -6.501 6.715
41 HD12 ILE 8 1HD1 ILE 8 -6.475 -7.992 5.783
42 HD13 ILE 8 2HD1 ILE 8 -4.979 -7.042 5.606
43 H LYS 9 H LYS 9 -6.021 -4.878 0.659
44 HA LYS 9 HA LYS 9 -6.021 -6.933 -1.457
45 HB2 LYS 9 1HB LYS 9 -8.049 -5.695 -2.038
46 HB3 LYS 9 2HB LYS 9 -7.201 -4.158 -1.928
47 HG2 LYS 9 1HG LYS 9 -7.581 -4.794 -4.243
48 HG3 LYS 9 2HG LYS 9 -5.860 -4.699 -3.890
49 HD2 LYS 9 1HD LYS 9 -5.729 -7.184 -3.770
50 HD3 LYS 9 2HD LYS 9 -7.479 -7.280 -4.011
51 HE2 LYS 9 1HE LYS 9 -6.393 -7.747 -6.112
52 HE3 LYS 9 2HE LYS 9 -7.237 -6.202 -6.236
53 HZ1 LYS 9 3HZ LYS 9 -5.084 -5.081 -5.899
54 HZ2 LYS 9 1HZ LYS 9 -5.004 -6.081 -7.187
55 HZ3 LYS 9 2HZ LYS 9 -4.314 -6.523 -5.776
56 H GLN 10 H GLN 10 -5.093 -3.519 -0.843
57 HA GLN 10 HA GLN 10 -2.725 -3.769 -2.518
58 HB2 GLN 10 1HB GLN 10 -3.628 -1.548 -0.641
59 HB3 GLN 10 2HB GLN 10 -2.262 -1.450 -1.751
60 HG2 GLN 10 1HG GLN 10 -5.186 -1.818 -2.549
61 HG3 GLN 10 2HG GLN 10 -4.236 -0.350 -2.701
62 HE21 GLN 10 1HE2 GLN 10 -2.270 -0.459 -4.222
63 HE22 GLN 10 2HE2 GLN 10 -2.425 -1.532 -5.602
64 H HIS 11 H HIS 11 -0.618 -4.072 -1.960
65 HA HIS 11 HA HIS 11 0.136 -4.230 0.870
66 HB2 HIS 11 1HB HIS 11 1.063 -6.525 0.611
67 HB3 HIS 11 2HB HIS 11 -0.690 -6.445 0.558
68 HD1 HIS 11 1HD HIS 11 -1.829 -6.788 -1.979
69 HD2 HIS 11 2HD HIS 11 2.273 -7.636 -1.462
70 HE1 HIS 11 1HE HIS 11 -1.109 -8.133 -4.019
71 H CYS 12 H CYS 12 2.325 -4.172 1.297
72 HA CYS 12 HA CYS 12 3.643 -2.303 -0.313
73 HB2 CYS 12 1HB CYS 12 3.790 -2.460 2.106
74 HB3 CYS 12 2HB CYS 12 4.667 -3.991 1.981
75 H ARG 13 H ARG 13 5.365 -2.199 -1.532
76 HA ARG 13 HA ARG 13 6.092 -4.543 -3.174
77 HB2 ARG 13 1HB ARG 13 7.080 -1.661 -3.291
78 HB3 ARG 13 2HB ARG 13 7.369 -2.897 -4.498
79 HG2 ARG 13 1HG ARG 13 4.693 -1.613 -3.779
80 HG3 ARG 13 2HG ARG 13 5.712 -1.265 -5.168
81 HD2 ARG 13 1HD ARG 13 4.216 -2.635 -6.110
82 HD3 ARG 13 2HD ARG 13 5.482 -3.805 -5.730
83 HE ARG 13 HE ARG 13 3.399 -3.488 -3.662
84 HH11 ARG 13 2HH1 ARG 13 4.215 -5.372 -6.516
85 HH12 ARG 13 1HH1 ARG 13 3.111 -6.646 -6.071
86 HH21 ARG 13 2HH2 ARG 13 2.060 -5.074 -3.190
87 HH22 ARG 13 1HH2 ARG 13 1.932 -6.510 -4.179
88 H PHE 14 H PHE 14 7.343 -3.049 -0.365
89 HA PHE 14 HA PHE 14 10.115 -4.083 -0.860
90 HB2 PHE 14 1HB PHE 14 9.202 -1.859 0.968
91 HB3 PHE 14 2HB PHE 14 10.857 -2.288 0.585
92 HD1 PHE 14 2HD PHE 14 11.835 -1.713 -1.630
93 HD2 PHE 14 1HD PHE 14 7.818 -0.548 -0.570
94 HE1 PHE 14 2HE PHE 14 11.818 -0.061 -3.487
95 HE2 PHE 14 1HE PHE 14 7.808 1.102 -2.425
96 HZ PHE 14 HZ PHE 14 9.809 1.351 -3.882
97 H CYS 15 H CYS 15 7.502 -4.042 1.561
98 HA CYS 15 HA CYS 15 8.965 -6.121 3.109
99 HB2 CYS 15 1HB CYS 15 8.519 -5.062 5.189
100 HB3 CYS 15 2HB CYS 15 9.354 -3.923 4.142
101 H LYS 16 H LYS 16 6.323 -5.692 1.354
102 HA LYS 16 HA LYS 16 4.320 -6.677 1.083
103 HB2 LYS 16 1HB LYS 16 5.697 -8.951 2.532
104 HB3 LYS 16 2HB LYS 16 4.285 -9.091 1.475
105 HG2 LYS 16 1HG LYS 16 5.610 -8.128 -0.411
106 HG3 LYS 16 2HG LYS 16 7.053 -8.140 0.611
107 HD2 LYS 16 1HD LYS 16 5.420 -10.591 -0.171
108 HD3 LYS 16 2HD LYS 16 6.935 -10.070 -0.925
109 HE2 LYS 16 1HE LYS 16 8.103 -10.307 1.267
110 HE3 LYS 16 2HE LYS 16 6.601 -10.884 1.999
111 HZ1 LYS 16 3HZ LYS 16 8.038 -12.232 -0.226
112 HZ2 LYS 16 1HZ LYS 16 6.647 -12.765 0.445
113 HZ3 LYS 16 2HZ LYS 16 8.019 -12.732 1.325
114 H LYS 17 H LYS 17 4.519 -5.210 3.798
115 HA LYS 17 HA LYS 17 2.428 -6.335 5.424
116 HB2 LYS 17 1HB LYS 17 3.320 -3.450 5.018
117 HB3 LYS 17 2HB LYS 17 2.075 -3.968 6.166
118 HG2 LYS 17 1HG LYS 17 3.737 -5.446 7.299
119 HG3 LYS 17 2HG LYS 17 4.980 -4.901 6.169
120 HD2 LYS 17 1HD LYS 17 5.242 -3.683 8.224
121 HD3 LYS 17 2HD LYS 17 4.662 -2.555 6.987
122 HE2 LYS 17 1HE LYS 17 2.371 -2.700 7.878
123 HE3 LYS 17 2HE LYS 17 2.873 -3.942 9.034
124 HZ1 LYS 17 3HZ LYS 17 2.775 -1.758 10.077
125 HZ2 LYS 17 1HZ LYS 17 3.851 -1.136 9.019
126 HZ3 LYS 17 2HZ LYS 17 4.317 -2.286 10.085
127 H LYS 18 H LYS 18 0.268 -5.757 5.602
128 HA LYS 18 HA LYS 18 -1.087 -5.484 2.959
129 HB2 LYS 18 1HB LYS 18 -1.657 -6.920 5.565
130 HB3 LYS 18 2HB LYS 18 -2.936 -6.634 4.388
131 HG2 LYS 18 1HG LYS 18 -1.689 -7.839 2.648
132 HG3 LYS 18 2HG LYS 18 -0.332 -8.097 3.762
133 HD2 LYS 18 1HD LYS 18 -1.748 -9.460 5.237
134 HD3 LYS 18 2HD LYS 18 -3.165 -9.147 4.218
135 HE2 LYS 18 1HE LYS 18 -2.004 -10.232 2.294
136 HE3 LYS 18 2HE LYS 18 -0.628 -10.595 3.345
137 HZ1 LYS 18 3HZ LYS 18 -3.403 -11.607 3.746
138 HZ2 LYS 18 1HZ LYS 18 -2.132 -11.946 4.718
139 HZ3 LYS 18 2HZ LYS 18 -2.149 -12.487 3.179
140 H TYR 19 H TYR 19 -2.701 -4.132 2.534
141 HA TYR 19 HA TYR 19 -3.754 -2.298 4.625
142 HB2 TYR 19 1HB TYR 19 -2.522 -1.509 1.956
143 HB3 TYR 19 2HB TYR 19 -3.411 -0.419 3.011
144 HD1 TYR 19 1HD TYR 19 -2.527 0.228 5.240
145 HD2 TYR 19 2HD TYR 19 -0.232 -2.213 2.520
146 HE1 TYR 19 1HE TYR 19 -0.511 0.539 6.662
147 HE2 TYR 19 2HE TYR 19 1.790 -1.892 3.949
148 HH TYR 19 HH TYR 19 1.663 -0.019 7.002
149 H SER 20 H SER 20 -5.696 -1.273 4.191
150 HA SER 20 HA SER 20 -7.585 -2.756 2.505
151 HB2 SER 20 1HB SER 20 -9.245 -1.336 3.718
152 HB3 SER 20 2HB SER 20 -8.200 -2.297 4.781
153 HG SER 20 HG SER 20 -8.402 -0.107 5.486
154 H ASP 21 H ASP 21 -5.778 0.177 2.196
155 HA ASP 21 HA ASP 21 -7.247 0.930 -0.254
156 HB2 ASP 21 1HB ASP 21 -8.313 2.131 1.696
157 HB3 ASP 21 2HB ASP 21 -6.760 2.899 2.019
158 H VAL 22 H VAL 22 -6.019 2.133 -1.728
159 HA VAL 22 HA VAL 22 -3.213 1.663 -1.728
160 HB VAL 22 HB VAL 22 -4.704 1.950 -3.707
161 HG11 VAL 22 1HG1 VAL 22 -5.847 4.074 -3.058
162 HG12 VAL 22 2HG1 VAL 22 -4.325 4.943 -3.375
163 HG13 VAL 22 3HG1 VAL 22 -5.153 4.092 -4.686
164 HG21 VAL 22 3HG2 VAL 22 -2.198 3.652 -3.770
165 HG22 VAL 22 1HG2 VAL 22 -2.246 1.885 -3.903
166 HG23 VAL 22 2HG2 VAL 22 -3.000 2.888 -5.154
167 H LYS 23 H LYS 23 -5.037 4.540 -0.641
168 HA LYS 23 HA LYS 23 -2.716 6.245 -0.733
169 HB2 LYS 23 1HB LYS 23 -5.348 6.568 0.777
170 HB3 LYS 23 2HB LYS 23 -4.118 7.827 0.614
171 HG2 LYS 23 1HG LYS 23 -4.361 7.795 -1.845
172 HG3 LYS 23 2HG LYS 23 -5.589 6.522 -1.723
173 HD2 LYS 23 1HD LYS 23 -7.037 8.023 -0.394
174 HD3 LYS 23 2HD LYS 23 -5.820 9.315 -0.525
175 HE2 LYS 23 1HE LYS 23 -6.029 9.252 -3.002
176 HE3 LYS 23 2HE LYS 23 -7.232 7.962 -2.871
177 HZ1 LYS 23 3HZ LYS 23 -8.669 9.516 -1.661
178 HZ2 LYS 23 1HZ LYS 23 -8.289 10.132 -3.121
179 HZ3 LYS 23 2HZ LYS 23 -7.559 10.709 -1.783
180 H ASN 24 H ASN 24 -4.126 4.217 1.777
181 HA ASN 24 HA ASN 24 -2.397 5.023 3.952
182 HB2 ASN 24 1HB ASN 24 -3.925 2.436 3.397
183 HB3 ASN 24 2HB ASN 24 -3.085 2.793 4.904
184 HD21 ASN 24 1HD2 ASN 24 -5.804 2.199 4.941
185 HD22 ASN 24 2HD2 ASN 24 -6.660 3.664 5.383
186 H LEU 25 H LEU 25 -2.088 2.533 1.378
187 HA LEU 25 HA LEU 25 0.473 1.599 2.289
188 HB2 LEU 25 1HB LEU 25 -0.887 0.199 0.881
189 HB3 LEU 25 2HB LEU 25 -0.934 1.418 -0.395
190 HG LEU 25 HG LEU 25 1.470 1.162 -0.798
191 HD11 LEU 25 1HD1 LEU 25 2.123 0.410 1.560
192 HD12 LEU 25 2HD1 LEU 25 2.833 -0.484 0.239
193 HD13 LEU 25 3HD1 LEU 25 1.469 -1.183 1.143
194 HD21 LEU 25 3HD2 LEU 25 -0.009 -1.484 -0.783
195 HD22 LEU 25 1HD2 LEU 25 1.430 -1.097 -1.752
196 HD23 LEU 25 2HD2 LEU 25 -0.089 -0.237 -2.051
197 H ILE 26 H ILE 26 -0.407 4.147 -0.136
198 HA ILE 26 HA ILE 26 2.295 4.764 -0.849
199 HB ILE 26 HB ILE 26 -0.228 6.448 -0.906
200 HG12 ILE 26 1HG1 ILE 26 1.400 5.218 -3.185
201 HG13 ILE 26 2HG1 ILE 26 0.065 4.372 -2.424
202 HG21 ILE 26 1HG2 ILE 26 1.051 8.018 -2.393
203 HG22 ILE 26 2HG2 ILE 26 1.678 8.012 -0.758
204 HG23 ILE 26 3HG2 ILE 26 2.536 7.114 -2.032
205 HD11 ILE 26 3HD1 ILE 26 -0.716 5.410 -4.457
206 HD12 ILE 26 1HD1 ILE 26 -1.492 6.201 -3.071
207 HD13 ILE 26 2HD1 ILE 26 -0.161 7.002 -3.940
208 H LYS 27 H LYS 27 0.267 6.100 1.807
209 HA LYS 27 HA LYS 27 2.264 7.860 2.881
210 HB2 LYS 27 1HB LYS 27 -0.096 6.401 4.137
211 HB3 LYS 27 2HB LYS 27 0.929 7.519 5.046
212 HG2 LYS 27 1HG LYS 27 0.381 9.364 3.569
213 HG3 LYS 27 2HG LYS 27 -0.540 8.307 2.491
214 HD2 LYS 27 1HD LYS 27 -2.134 7.810 4.333
215 HD3 LYS 27 2HD LYS 27 -1.214 8.885 5.411
216 HE2 LYS 27 1HE LYS 27 -1.638 10.784 3.854
217 HE3 LYS 27 2HE LYS 27 -2.570 9.710 2.802
218 HZ1 LYS 27 3HZ LYS 27 -4.133 9.374 4.651
219 HZ2 LYS 27 1HZ LYS 27 -4.020 10.962 4.295
220 HZ3 LYS 27 2HZ LYS 27 -3.270 10.373 5.615
221 H HIS 28 H HIS 28 1.729 4.367 3.515
222 HA HIS 28 HA HIS 28 3.879 4.080 5.407
223 HB2 HIS 28 1HB HIS 28 2.294 2.328 5.284
224 HB3 HIS 28 2HB HIS 28 2.443 2.169 3.545
225 HD1 HIS 28 1HD HIS 28 4.478 1.338 6.707
226 HD2 HIS 28 2HD HIS 28 4.298 0.564 2.580
227 HE1 HIS 28 1HE HIS 28 6.152 -0.521 6.279
228 H ILE 29 H ILE 29 3.855 3.607 1.825
229 HA ILE 29 HA ILE 29 6.601 2.924 1.579
230 HB ILE 29 HB ILE 29 4.660 4.197 -0.374
231 HG12 ILE 29 1HG1 ILE 29 5.807 1.365 -0.315
232 HG13 ILE 29 2HG1 ILE 29 4.300 1.794 0.475
233 HG21 ILE 29 1HG2 ILE 29 6.276 3.597 -2.181
234 HG22 ILE 29 2HG2 ILE 29 6.932 4.818 -1.115
235 HG23 ILE 29 3HG2 ILE 29 7.462 3.129 -0.947
236 HD11 ILE 29 3HD1 ILE 29 4.842 1.950 -2.513
237 HD12 ILE 29 1HD1 ILE 29 3.776 0.832 -1.664
238 HD13 ILE 29 2HD1 ILE 29 3.371 2.563 -1.720
239 H ARG 30 H ARG 30 5.082 6.187 1.435
240 HA ARG 30 HA ARG 30 7.683 7.457 1.108
241 HB2 ARG 30 1HB ARG 30 4.947 8.665 1.623
242 HB3 ARG 30 2HB ARG 30 6.435 9.571 1.306
243 HG2 ARG 30 1HG ARG 30 6.642 8.050 -0.831
244 HG3 ARG 30 2HG ARG 30 4.923 7.739 -0.583
245 HD2 ARG 30 1HD ARG 30 4.456 10.153 -0.651
246 HD3 ARG 30 2HD ARG 30 6.181 10.512 -0.807
247 HE ARG 30 HE ARG 30 4.368 9.675 -2.907
248 HH11 ARG 30 2HH1 ARG 30 7.837 9.503 -2.078
249 HH12 ARG 30 1HH1 ARG 30 8.263 9.557 -3.762
250 HH21 ARG 30 2HH2 ARG 30 5.073 9.636 -4.991
251 HH22 ARG 30 1HH2 ARG 30 6.772 9.561 -5.344
252 H ASP 31 H ASP 31 6.320 6.196 3.892
253 HA ASP 31 HA ASP 31 7.925 8.001 5.644
254 HB2 ASP 31 1HB ASP 31 5.571 7.486 6.244
255 HB3 ASP 31 2HB ASP 31 5.996 5.775 6.375
256 H MET 32 H MET 32 7.792 4.635 4.499
257 HA MET 32 HA MET 32 10.181 3.929 6.145
258 HB2 MET 32 1HB MET 32 8.032 2.246 4.809
259 HB3 MET 32 2HB MET 32 9.400 1.590 5.696
260 HG2 MET 32 1HG MET 32 7.246 3.398 6.849
261 HG3 MET 32 2HG MET 32 7.349 1.658 7.057
262 HE1 MET 32 3HE MET 32 10.482 1.109 7.678
263 HE2 MET 32 1HE MET 32 10.399 1.173 9.449
264 HE3 MET 32 2HE MET 32 9.095 0.389 8.532
265 H HIS 33 H HIS 33 9.274 4.207 2.747
266 HA HIS 33 HA HIS 33 11.847 2.933 1.919
267 HB2 HIS 33 1HB HIS 33 9.199 2.472 0.535
268 HB3 HIS 33 2HB HIS 33 10.708 1.604 0.298
269 HD1 HIS 33 1HD HIS 33 11.382 0.408 3.047
270 HD2 HIS 33 2HD HIS 33 7.485 0.925 1.576
271 HE1 HIS 33 1HE HIS 33 9.944 -1.279 4.296
272 H ASP 34 H ASP 34 10.728 5.853 1.949
273 HA ASP 34 HA ASP 34 9.975 6.638 -0.593
274 HB2 ASP 34 1HB ASP 34 9.804 7.920 1.549
275 HB3 ASP 34 2HB ASP 34 11.491 8.373 1.368
276 HA PRO 35 HA PRO 35 13.706 6.112 -2.960
277 HB2 PRO 35 1HB PRO 35 12.467 8.147 -4.819
278 HB3 PRO 35 2HB PRO 35 13.251 6.583 -5.216
279 HG2 PRO 35 1HG PRO 35 10.554 6.752 -5.139
280 HG3 PRO 35 2HG PRO 35 11.373 5.352 -4.370
281 HD2 PRO 35 1HD PRO 35 10.296 7.859 -3.048
282 HD3 PRO 35 2HD PRO 35 10.123 6.144 -2.565
283 H GLN 36 H GLN 36 15.711 6.985 -3.245
284 HA GLN 36 HA GLN 36 16.250 9.620 -2.037
285 HB2 GLN 36 1HB GLN 36 18.087 7.381 -2.971
286 HB3 GLN 36 2HB GLN 36 18.615 8.869 -2.170
287 HG2 GLN 36 1HG GLN 36 17.234 8.295 -0.181
288 HG3 GLN 36 2HG GLN 36 16.759 6.778 -0.947
289 HE21 GLN 36 1HE2 GLN 36 17.821 6.317 1.405
290 HE22 GLN 36 2HE2 GLN 36 19.505 5.824 1.288
291 H ASP 37 H ASP 37 15.784 8.517 -5.220
292 HA ASP 37 HA ASP 37 16.867 11.005 -6.400
293 HB2 ASP 37 1HB ASP 37 18.707 9.377 -6.579
294 HB3 ASP 37 2HB ASP 37 17.632 8.216 -7.351
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -16.758 -13.454 3.778
2 H2 GLY 1 2H GLY 1 -16.106 -14.058 5.152
3 H3 GLY 1 3H GLY 1 -15.318 -14.236 3.726
4 HA2 GLY 1 1HA GLY 1 -14.265 -12.515 5.041
5 HA3 GLY 1 2HA GLY 1 -14.952 -11.873 3.537
6 H SER 2 H SER 2 -14.397 -10.471 6.072
7 HA SER 2 HA SER 2 -16.776 -9.996 7.566
8 HB2 SER 2 1HB SER 2 -14.365 -8.183 7.179
9 HB3 SER 2 2HB SER 2 -15.581 -8.058 8.466
10 HG SER 2 HG SER 2 -13.702 -9.204 9.149
11 H SER 3 H SER 3 -18.438 -8.561 7.394
12 HA SER 3 HA SER 3 -19.108 -7.505 4.828
13 HB2 SER 3 1HB SER 3 -21.091 -6.587 6.019
14 HB3 SER 3 2HB SER 3 -20.800 -8.304 6.338
15 HG SER 3 HG SER 3 -21.260 -7.119 8.263
16 H GLY 4 H GLY 4 -17.450 -5.990 7.509
17 HA2 GLY 4 1HA GLY 4 -17.819 -3.234 6.658
18 HA3 GLY 4 2HA GLY 4 -16.665 -3.842 7.846
19 H SER 5 H SER 5 -15.943 -5.713 5.253
20 HA SER 5 HA SER 5 -13.777 -3.872 4.337
21 HB2 SER 5 1HB SER 5 -13.882 -6.904 4.375
22 HB3 SER 5 2HB SER 5 -12.528 -5.912 3.808
23 HG SER 5 HG SER 5 -12.219 -6.565 5.973
24 H SER 6 H SER 6 -13.298 -3.570 2.197
25 HA SER 6 HA SER 6 -15.366 -4.164 0.211
26 HB2 SER 6 1HB SER 6 -14.025 -2.746 -1.239
27 HB3 SER 6 2HB SER 6 -14.217 -1.979 0.348
28 HG SER 6 HG SER 6 -12.055 -1.848 -0.232
29 H GLY 7 H GLY 7 -12.304 -5.554 1.115
30 HA2 GLY 7 1HA GLY 7 -11.217 -7.472 0.347
31 HA3 GLY 7 2HA GLY 7 -12.376 -7.619 -0.976
32 H ILE 8 H ILE 8 -11.324 -4.448 -1.114
33 HA ILE 8 HA ILE 8 -9.526 -5.074 -3.364
34 HB ILE 8 HB ILE 8 -10.515 -2.311 -2.643
35 HG12 ILE 8 1HG1 ILE 8 -11.974 -4.392 -4.342
36 HG13 ILE 8 2HG1 ILE 8 -12.519 -3.760 -2.792
37 HG21 ILE 8 1HG2 ILE 8 -8.672 -2.630 -4.386
38 HG22 ILE 8 2HG2 ILE 8 -9.812 -3.594 -5.335
39 HG23 ILE 8 3HG2 ILE 8 -10.119 -1.872 -5.017
40 HD11 ILE 8 3HD1 ILE 8 -12.344 -2.200 -5.381
41 HD12 ILE 8 1HD1 ILE 8 -13.785 -2.664 -4.468
42 HD13 ILE 8 2HD1 ILE 8 -12.664 -1.470 -3.785
43 H LYS 9 H LYS 9 -8.284 -5.842 -1.204
44 HA LYS 9 HA LYS 9 -6.727 -3.852 0.193
45 HB2 LYS 9 1HB LYS 9 -5.584 -5.712 1.236
46 HB3 LYS 9 2HB LYS 9 -7.327 -5.982 1.223
47 HG2 LYS 9 1HG LYS 9 -7.079 -7.527 -0.716
48 HG3 LYS 9 2HG LYS 9 -5.329 -7.242 -0.718
49 HD2 LYS 9 1HD LYS 9 -5.178 -8.167 1.584
50 HD3 LYS 9 2HD LYS 9 -6.933 -8.469 1.568
51 HE2 LYS 9 1HE LYS 9 -6.637 -9.937 -0.431
52 HE3 LYS 9 2HE LYS 9 -4.893 -9.648 -0.375
53 HZ1 LYS 9 3HZ LYS 9 -4.859 -10.701 1.825
54 HZ2 LYS 9 1HZ LYS 9 -5.485 -11.732 0.726
55 HZ3 LYS 9 2HZ LYS 9 -6.472 -10.966 1.773
56 H GLN 10 H GLN 10 -4.505 -3.583 0.264
57 HA GLN 10 HA GLN 10 -3.084 -3.821 -2.360
58 HB2 GLN 10 1HB GLN 10 -3.119 -1.417 -0.491
59 HB3 GLN 10 2HB GLN 10 -2.348 -1.527 -2.074
60 HG2 GLN 10 1HG GLN 10 -5.349 -1.560 -1.532
61 HG3 GLN 10 2HG GLN 10 -4.421 -0.220 -2.156
62 HE21 GLN 10 1HE2 GLN 10 -6.663 -2.146 -3.276
63 HE22 GLN 10 2HE2 GLN 10 -6.040 -2.437 -4.901
64 H HIS 11 H HIS 11 -0.925 -4.340 -2.251
65 HA HIS 11 HA HIS 11 0.195 -4.923 0.466
66 HB2 HIS 11 1HB HIS 11 0.799 -6.347 -2.134
67 HB3 HIS 11 2HB HIS 11 1.314 -6.808 -0.518
68 HD1 HIS 11 1HD HIS 11 -0.276 -8.795 -2.412
69 HD2 HIS 11 2HD HIS 11 -1.951 -6.376 0.593
70 HE1 HIS 11 1HE HIS 11 -2.458 -9.912 -1.724
71 H CYS 12 H CYS 12 2.261 -4.390 0.970
72 HA CYS 12 HA CYS 12 3.723 -2.410 -0.534
73 HB2 CYS 12 1HB CYS 12 3.671 -2.526 1.910
74 HB3 CYS 12 2HB CYS 12 4.436 -4.124 1.870
75 H ARG 13 H ARG 13 5.545 -2.527 -1.651
76 HA ARG 13 HA ARG 13 6.234 -5.107 -2.962
77 HB2 ARG 13 1HB ARG 13 7.412 -2.368 -3.543
78 HB3 ARG 13 2HB ARG 13 7.396 -3.783 -4.591
79 HG2 ARG 13 1HG ARG 13 5.052 -2.000 -3.823
80 HG3 ARG 13 2HG ARG 13 5.836 -2.092 -5.389
81 HD2 ARG 13 1HD ARG 13 4.633 -3.884 -6.050
82 HD3 ARG 13 2HD ARG 13 4.827 -4.728 -4.529
83 HE ARG 13 HE ARG 13 2.921 -3.695 -3.606
84 HH11 ARG 13 2HH1 ARG 13 3.274 -2.600 -6.928
85 HH12 ARG 13 1HH1 ARG 13 1.666 -1.925 -6.941
86 HH21 ARG 13 2HH2 ARG 13 1.022 -2.822 -3.666
87 HH22 ARG 13 1HH2 ARG 13 0.379 -2.065 -5.116
88 H PHE 14 H PHE 14 7.471 -3.053 -0.494
89 HA PHE 14 HA PHE 14 10.251 -4.060 -0.798
90 HB2 PHE 14 1HB PHE 14 9.175 -1.846 0.951
91 HB3 PHE 14 2HB PHE 14 10.855 -2.156 0.561
92 HD1 PHE 14 2HD PHE 14 11.728 -1.647 -1.737
93 HD2 PHE 14 1HD PHE 14 7.696 -0.652 -0.570
94 HE1 PHE 14 2HE PHE 14 11.544 -0.095 -3.671
95 HE2 PHE 14 1HE PHE 14 7.518 0.900 -2.500
96 HZ PHE 14 HZ PHE 14 9.443 1.180 -4.052
97 H CYS 15 H CYS 15 7.605 -4.034 1.584
98 HA CYS 15 HA CYS 15 9.104 -6.026 3.207
99 HB2 CYS 15 1HB CYS 15 8.658 -4.947 5.232
100 HB3 CYS 15 2HB CYS 15 9.387 -3.766 4.158
101 H LYS 16 H LYS 16 6.468 -5.720 1.410
102 HA LYS 16 HA LYS 16 4.592 -6.925 1.061
103 HB2 LYS 16 1HB LYS 16 6.317 -8.914 2.537
104 HB3 LYS 16 2HB LYS 16 4.735 -9.354 1.927
105 HG2 LYS 16 1HG LYS 16 6.355 -10.026 0.339
106 HG3 LYS 16 2HG LYS 16 5.357 -8.755 -0.361
107 HD2 LYS 16 1HD LYS 16 7.167 -7.135 -0.153
108 HD3 LYS 16 2HD LYS 16 8.149 -8.290 0.785
109 HE2 LYS 16 1HE LYS 16 8.181 -9.818 -1.177
110 HE3 LYS 16 2HE LYS 16 7.210 -8.667 -2.099
111 HZ1 LYS 16 3HZ LYS 16 9.929 -8.103 -1.032
112 HZ2 LYS 16 1HZ LYS 16 9.033 -7.070 -1.944
113 HZ3 LYS 16 2HZ LYS 16 9.589 -8.464 -2.585
114 H LYS 17 H LYS 17 4.680 -5.398 3.784
115 HA LYS 17 HA LYS 17 2.432 -6.495 5.240
116 HB2 LYS 17 1HB LYS 17 3.456 -3.634 5.077
117 HB3 LYS 17 2HB LYS 17 2.230 -4.250 6.208
118 HG2 LYS 17 1HG LYS 17 3.857 -5.768 7.239
119 HG3 LYS 17 2HG LYS 17 5.072 -5.333 6.028
120 HD2 LYS 17 1HD LYS 17 4.915 -2.934 6.854
121 HD3 LYS 17 2HD LYS 17 3.892 -3.516 8.169
122 HE2 LYS 17 1HE LYS 17 6.210 -3.251 8.905
123 HE3 LYS 17 2HE LYS 17 5.725 -4.947 8.994
124 HZ1 LYS 17 3HZ LYS 17 7.971 -4.509 7.957
125 HZ2 LYS 17 1HZ LYS 17 7.201 -3.849 6.654
126 HZ3 LYS 17 2HZ LYS 17 6.971 -5.410 7.028
127 H LYS 18 H LYS 18 0.356 -5.305 5.443
128 HA LYS 18 HA LYS 18 -0.778 -4.804 2.713
129 HB2 LYS 18 1HB LYS 18 -1.699 -6.743 4.857
130 HB3 LYS 18 2HB LYS 18 -2.535 -6.446 3.307
131 HG2 LYS 18 1HG LYS 18 -0.355 -7.141 2.152
132 HG3 LYS 18 2HG LYS 18 0.246 -7.635 3.734
133 HD2 LYS 18 1HD LYS 18 -1.450 -9.340 3.958
134 HD3 LYS 18 2HD LYS 18 -2.253 -8.795 2.477
135 HE2 LYS 18 1HE LYS 18 -0.908 -10.774 2.000
136 HE3 LYS 18 2HE LYS 18 -0.282 -9.374 1.129
137 HZ1 LYS 18 3HZ LYS 18 1.498 -9.192 2.789
138 HZ2 LYS 18 1HZ LYS 18 1.488 -10.701 2.174
139 HZ3 LYS 18 2HZ LYS 18 0.873 -10.435 3.659
140 H TYR 19 H TYR 19 -2.483 -3.550 2.484
141 HA TYR 19 HA TYR 19 -3.736 -2.201 4.838
142 HB2 TYR 19 1HB TYR 19 -2.462 -0.919 2.387
143 HB3 TYR 19 2HB TYR 19 -3.559 -0.067 3.456
144 HD1 TYR 19 1HD TYR 19 -2.963 0.413 5.817
145 HD2 TYR 19 2HD TYR 19 -0.145 -1.377 3.082
146 HE1 TYR 19 1HE TYR 19 -1.109 0.933 7.390
147 HE2 TYR 19 2HE TYR 19 1.713 -0.862 4.672
148 HH TYR 19 HH TYR 19 1.118 0.751 7.822
149 H SER 20 H SER 20 -5.866 -1.519 4.543
150 HA SER 20 HA SER 20 -7.400 -2.857 2.463
151 HB2 SER 20 1HB SER 20 -8.316 -0.883 4.581
152 HB3 SER 20 2HB SER 20 -9.343 -1.972 3.630
153 HG SER 20 HG SER 20 -8.859 -2.820 5.717
154 H ASP 21 H ASP 21 -5.684 -0.042 2.256
155 HA ASP 21 HA ASP 21 -7.336 1.156 0.119
156 HB2 ASP 21 1HB ASP 21 -8.256 2.280 2.011
157 HB3 ASP 21 2HB ASP 21 -6.682 2.429 2.795
158 H VAL 22 H VAL 22 -6.150 2.378 -1.351
159 HA VAL 22 HA VAL 22 -3.316 1.764 -1.410
160 HB VAL 22 HB VAL 22 -4.940 1.828 -3.357
161 HG11 VAL 22 1HG1 VAL 22 -5.152 3.780 -4.694
162 HG12 VAL 22 2HG1 VAL 22 -5.768 4.155 -3.078
163 HG13 VAL 22 3HG1 VAL 22 -4.152 4.731 -3.588
164 HG21 VAL 22 3HG2 VAL 22 -2.217 3.119 -3.706
165 HG22 VAL 22 1HG2 VAL 22 -2.539 1.374 -3.584
166 HG23 VAL 22 2HG2 VAL 22 -3.162 2.292 -4.962
167 H LYS 23 H LYS 23 -5.104 4.692 -0.484
168 HA LYS 23 HA LYS 23 -2.772 6.381 -0.826
169 HB2 LYS 23 1HB LYS 23 -5.413 6.805 0.637
170 HB3 LYS 23 2HB LYS 23 -4.068 7.892 0.887
171 HG2 LYS 23 1HG LYS 23 -5.440 8.909 -0.727
172 HG3 LYS 23 2HG LYS 23 -3.953 8.415 -1.512
173 HD2 LYS 23 1HD LYS 23 -5.898 8.036 -2.958
174 HD3 LYS 23 2HD LYS 23 -5.069 6.540 -2.580
175 HE2 LYS 23 1HE LYS 23 -7.430 6.111 -2.485
176 HE3 LYS 23 2HE LYS 23 -6.799 6.028 -0.839
177 HZ1 LYS 23 3HZ LYS 23 -8.860 7.292 -0.944
178 HZ2 LYS 23 1HZ LYS 23 -8.229 8.361 -2.002
179 HZ3 LYS 23 2HZ LYS 23 -7.656 8.284 -0.471
180 H ASN 24 H ASN 24 -4.179 4.546 1.842
181 HA ASN 24 HA ASN 24 -2.249 5.192 3.869
182 HB2 ASN 24 1HB ASN 24 -4.138 2.856 3.396
183 HB3 ASN 24 2HB ASN 24 -2.983 2.844 4.727
184 HD21 ASN 24 1HD2 ASN 24 -5.704 4.788 3.371
185 HD22 ASN 24 2HD2 ASN 24 -6.125 5.467 4.946
186 H LEU 25 H LEU 25 -2.195 2.557 1.377
187 HA LEU 25 HA LEU 25 0.375 1.570 2.169
188 HB2 LEU 25 1HB LEU 25 -1.077 0.234 0.772
189 HB3 LEU 25 2HB LEU 25 -1.099 1.471 -0.483
190 HG LEU 25 HG LEU 25 1.329 1.122 -0.893
191 HD11 LEU 25 1HD1 LEU 25 1.984 0.269 1.380
192 HD12 LEU 25 2HD1 LEU 25 2.512 -0.761 0.061
193 HD13 LEU 25 3HD1 LEU 25 1.101 -1.237 1.031
194 HD21 LEU 25 3HD2 LEU 25 -0.240 -1.462 -1.003
195 HD22 LEU 25 1HD2 LEU 25 1.172 -1.015 -1.988
196 HD23 LEU 25 2HD2 LEU 25 -0.350 -0.131 -2.186
197 H ILE 26 H ILE 26 -0.501 4.121 -0.235
198 HA ILE 26 HA ILE 26 2.181 4.661 -1.066
199 HB ILE 26 HB ILE 26 -0.344 6.334 -1.066
200 HG12 ILE 26 1HG1 ILE 26 1.269 5.158 -3.378
201 HG13 ILE 26 2HG1 ILE 26 0.001 4.250 -2.575
202 HG21 ILE 26 1HG2 ILE 26 0.856 7.935 -2.571
203 HG22 ILE 26 2HG2 ILE 26 1.504 7.952 -0.942
204 HG23 ILE 26 3HG2 ILE 26 2.379 7.088 -2.230
205 HD11 ILE 26 3HD1 ILE 26 -0.385 6.852 -4.101
206 HD12 ILE 26 1HD1 ILE 26 -0.909 5.229 -4.569
207 HD13 ILE 26 2HD1 ILE 26 -1.654 6.021 -3.166
208 H LYS 27 H LYS 27 0.283 6.134 1.636
209 HA LYS 27 HA LYS 27 2.439 7.789 2.545
210 HB2 LYS 27 1HB LYS 27 0.058 8.109 3.158
211 HB3 LYS 27 2HB LYS 27 0.054 6.579 4.031
212 HG2 LYS 27 1HG LYS 27 0.170 8.437 5.574
213 HG3 LYS 27 2HG LYS 27 1.644 7.476 5.686
214 HD2 LYS 27 1HD LYS 27 2.866 9.166 4.343
215 HD3 LYS 27 2HD LYS 27 1.365 10.100 4.140
216 HE2 LYS 27 1HE LYS 27 1.223 10.364 6.615
217 HE3 LYS 27 2HE LYS 27 2.726 9.449 6.798
218 HZ1 LYS 27 3HZ LYS 27 2.475 12.043 5.364
219 HZ2 LYS 27 1HZ LYS 27 3.866 11.201 5.539
220 HZ3 LYS 27 2HZ LYS 27 3.130 11.844 6.843
221 H HIS 28 H HIS 28 1.647 4.384 3.375
222 HA HIS 28 HA HIS 28 3.754 3.989 5.271
223 HB2 HIS 28 1HB HIS 28 2.095 2.314 5.070
224 HB3 HIS 28 2HB HIS 28 2.305 2.155 3.340
225 HD1 HIS 28 1HD HIS 28 3.874 0.961 6.582
226 HD2 HIS 28 2HD HIS 28 4.328 0.644 2.420
227 HE1 HIS 28 1HE HIS 28 5.586 -0.873 6.217
228 H ILE 29 H ILE 29 3.806 3.726 1.673
229 HA ILE 29 HA ILE 29 6.606 3.106 1.494
230 HB ILE 29 HB ILE 29 4.674 4.327 -0.500
231 HG12 ILE 29 1HG1 ILE 29 5.884 1.528 -0.447
232 HG13 ILE 29 2HG1 ILE 29 4.365 1.898 0.345
233 HG21 ILE 29 1HG2 ILE 29 7.503 3.310 -1.008
234 HG22 ILE 29 2HG2 ILE 29 6.343 3.810 -2.252
235 HG23 ILE 29 3HG2 ILE 29 6.972 5.002 -1.128
236 HD11 ILE 29 3HD1 ILE 29 3.879 0.949 -1.803
237 HD12 ILE 29 1HD1 ILE 29 3.399 2.656 -1.825
238 HD13 ILE 29 2HD1 ILE 29 4.895 2.134 -2.637
239 H ARG 30 H ARG 30 4.915 6.295 1.449
240 HA ARG 30 HA ARG 30 7.278 7.893 1.212
241 HB2 ARG 30 1HB ARG 30 4.676 8.585 2.644
242 HB3 ARG 30 2HB ARG 30 5.956 9.713 2.243
243 HG2 ARG 30 1HG ARG 30 4.034 8.369 0.342
244 HG3 ARG 30 2HG ARG 30 4.319 10.079 0.623
245 HD2 ARG 30 1HD ARG 30 6.628 9.786 -0.326
246 HD3 ARG 30 2HD ARG 30 6.195 8.103 -0.715
247 HE ARG 30 HE ARG 30 4.216 9.741 -1.865
248 HH11 ARG 30 2HH1 ARG 30 7.683 9.235 -2.317
249 HH12 ARG 30 1HH1 ARG 30 7.585 9.645 -4.014
250 HH21 ARG 30 2HH2 ARG 30 4.206 10.264 -4.029
251 HH22 ARG 30 1HH2 ARG 30 5.683 10.214 -4.946
252 H ASP 31 H ASP 31 5.846 6.470 4.117
253 HA ASP 31 HA ASP 31 7.691 7.875 5.881
254 HB2 ASP 31 1HB ASP 31 5.324 7.281 6.424
255 HB3 ASP 31 2HB ASP 31 5.793 5.580 6.468
256 H MET 32 H MET 32 7.573 4.581 4.526
257 HA MET 32 HA MET 32 9.923 3.780 6.182
258 HB2 MET 32 1HB MET 32 7.828 2.142 4.713
259 HB3 MET 32 2HB MET 32 9.152 1.476 5.648
260 HG2 MET 32 1HG MET 32 6.943 3.242 6.756
261 HG3 MET 32 2HG MET 32 7.019 1.494 6.890
262 HE1 MET 32 3HE MET 32 8.650 0.140 8.407
263 HE2 MET 32 1HE MET 32 10.095 0.857 7.652
264 HE3 MET 32 2HE MET 32 9.923 0.859 9.418
265 H HIS 33 H HIS 33 9.102 4.161 2.745
266 HA HIS 33 HA HIS 33 11.660 2.770 2.018
267 HB2 HIS 33 1HB HIS 33 9.023 2.531 0.555
268 HB3 HIS 33 2HB HIS 33 10.496 1.616 0.257
269 HD1 HIS 33 1HD HIS 33 11.160 0.382 3.022
270 HD2 HIS 33 2HD HIS 33 7.277 0.930 1.528
271 HE1 HIS 33 1HE HIS 33 9.702 -1.284 4.268
272 H ASP 34 H ASP 34 10.304 5.761 1.829
273 HA ASP 34 HA ASP 34 10.399 6.432 -0.882
274 HB2 ASP 34 1HB ASP 34 9.379 7.645 1.110
275 HB3 ASP 34 2HB ASP 34 10.959 8.354 1.397
276 HA PRO 35 HA PRO 35 14.766 6.375 -1.639
277 HB2 PRO 35 1HB PRO 35 14.968 7.635 -4.070
278 HB3 PRO 35 2HB PRO 35 14.265 6.004 -3.844
279 HG2 PRO 35 1HG PRO 35 12.794 8.655 -4.017
280 HG3 PRO 35 2HG PRO 35 12.446 7.137 -4.908
281 HD2 PRO 35 1HD PRO 35 11.089 7.794 -2.658
282 HD3 PRO 35 2HD PRO 35 11.563 6.097 -2.970
283 H GLN 36 H GLN 36 16.582 7.506 -1.243
284 HA GLN 36 HA GLN 36 16.323 10.133 -0.056
285 HB2 GLN 36 1HB GLN 36 18.786 8.383 -0.484
286 HB3 GLN 36 2HB GLN 36 18.688 9.822 0.519
287 HG2 GLN 36 1HG GLN 36 18.504 8.119 2.074
288 HG3 GLN 36 2HG GLN 36 16.842 8.650 1.860
289 HE21 GLN 36 1HE2 GLN 36 16.687 6.375 2.991
290 HE22 GLN 36 2HE2 GLN 36 16.535 5.015 1.885
291 H ASP 37 H ASP 37 17.188 9.121 -3.209
292 HA ASP 37 HA ASP 37 18.176 10.028 -5.033
293 HB2 ASP 37 1HB ASP 37 16.035 11.178 -4.941
294 HB3 ASP 37 2HB ASP 37 16.746 12.495 -4.017
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -0.627 -17.696 11.763
2 H2 GLY 1 2H GLY 1 -1.926 -18.678 11.936
3 H3 GLY 1 3H GLY 1 -1.757 -17.363 12.903
4 HA2 GLY 1 1HA GLY 1 -3.425 -16.926 11.234
5 HA3 GLY 1 2HA GLY 1 -2.015 -15.870 11.036
6 H SER 2 H SER 2 -3.034 -15.733 8.824
7 HA SER 2 HA SER 2 -2.816 -17.984 7.000
8 HB2 SER 2 1HB SER 2 -4.466 -16.202 6.682
9 HB3 SER 2 2HB SER 2 -3.165 -15.017 6.444
10 HG SER 2 HG SER 2 -4.101 -15.936 4.480
11 H SER 3 H SER 3 -1.363 -18.344 5.352
12 HA SER 3 HA SER 3 1.374 -17.303 5.607
13 HB2 SER 3 1HB SER 3 0.165 -19.212 3.572
14 HB3 SER 3 2HB SER 3 1.890 -18.880 3.809
15 HG SER 3 HG SER 3 1.209 -20.791 4.898
16 H GLY 4 H GLY 4 -1.420 -16.217 3.962
17 HA2 GLY 4 1HA GLY 4 -0.260 -15.302 1.485
18 HA3 GLY 4 2HA GLY 4 -1.804 -14.808 2.167
19 H SER 5 H SER 5 0.384 -13.294 0.826
20 HA SER 5 HA SER 5 0.448 -10.966 2.648
21 HB2 SER 5 1HB SER 5 2.877 -10.622 2.299
22 HB3 SER 5 2HB SER 5 2.501 -12.050 3.270
23 HG SER 5 HG SER 5 4.082 -12.560 1.734
24 H SER 6 H SER 6 1.923 -12.038 -0.431
25 HA SER 6 HA SER 6 1.176 -9.564 -1.811
26 HB2 SER 6 1HB SER 6 2.433 -12.113 -2.885
27 HB3 SER 6 2HB SER 6 2.221 -10.601 -3.784
28 HG SER 6 HG SER 6 3.787 -10.992 -1.433
29 H GLY 7 H GLY 7 -0.162 -9.420 -3.707
30 HA2 GLY 7 1HA GLY 7 -1.701 -11.415 -4.912
31 HA3 GLY 7 2HA GLY 7 -2.651 -10.894 -3.522
32 H ILE 8 H ILE 8 -4.216 -10.323 -5.202
33 HA ILE 8 HA ILE 8 -3.711 -8.022 -6.921
34 HB ILE 8 HB ILE 8 -6.058 -8.207 -7.546
35 HG12 ILE 8 1HG1 ILE 8 -6.273 -10.492 -5.530
36 HG13 ILE 8 2HG1 ILE 8 -6.980 -8.889 -5.323
37 HG21 ILE 8 1HG2 ILE 8 -4.716 -10.944 -7.518
38 HG22 ILE 8 2HG2 ILE 8 -5.876 -10.317 -8.707
39 HG23 ILE 8 3HG2 ILE 8 -4.266 -9.605 -8.596
40 HD11 ILE 8 3HD1 ILE 8 -8.352 -9.242 -7.382
41 HD12 ILE 8 1HD1 ILE 8 -7.733 -10.911 -7.464
42 HD13 ILE 8 2HD1 ILE 8 -8.698 -10.392 -6.075
43 H LYS 9 H LYS 9 -4.475 -8.238 -3.645
44 HA LYS 9 HA LYS 9 -5.939 -5.663 -3.449
45 HB2 LYS 9 1HB LYS 9 -5.025 -7.584 -1.269
46 HB3 LYS 9 2HB LYS 9 -6.123 -6.222 -1.065
47 HG2 LYS 9 1HG LYS 9 -6.679 -8.767 -2.646
48 HG3 LYS 9 2HG LYS 9 -7.352 -8.311 -1.084
49 HD2 LYS 9 1HD LYS 9 -8.486 -6.355 -2.145
50 HD3 LYS 9 2HD LYS 9 -7.861 -6.873 -3.729
51 HE2 LYS 9 1HE LYS 9 -9.020 -9.050 -3.482
52 HE3 LYS 9 2HE LYS 9 -9.642 -8.548 -1.905
53 HZ1 LYS 9 3HZ LYS 9 -10.851 -6.750 -3.025
54 HZ2 LYS 9 1HZ LYS 9 -11.284 -8.189 -3.659
55 HZ3 LYS 9 2HZ LYS 9 -10.275 -7.208 -4.486
56 H GLN 10 H GLN 10 -5.163 -4.269 -1.505
57 HA GLN 10 HA GLN 10 -2.698 -3.052 -2.386
58 HB2 GLN 10 1HB GLN 10 -4.579 -2.485 -0.068
59 HB3 GLN 10 2HB GLN 10 -3.130 -1.543 -0.380
60 HG2 GLN 10 1HG GLN 10 -4.974 -0.366 -1.303
61 HG3 GLN 10 2HG GLN 10 -3.999 -0.960 -2.644
62 HE21 GLN 10 1HE2 GLN 10 -7.040 -1.674 -0.735
63 HE22 GLN 10 2HE2 GLN 10 -7.819 -2.441 -2.106
64 H HIS 11 H HIS 11 -0.746 -3.917 -1.990
65 HA HIS 11 HA HIS 11 0.044 -4.305 0.813
66 HB2 HIS 11 1HB HIS 11 1.094 -6.404 0.520
67 HB3 HIS 11 2HB HIS 11 -0.555 -6.583 -0.051
68 HD1 HIS 11 1HD HIS 11 3.065 -6.457 -1.387
69 HD2 HIS 11 2HD HIS 11 -0.884 -7.195 -2.659
70 HE1 HIS 11 1HE HIS 11 3.243 -7.550 -3.681
71 H CYS 12 H CYS 12 2.247 -4.116 1.225
72 HA CYS 12 HA CYS 12 3.756 -2.254 -0.372
73 HB2 CYS 12 1HB CYS 12 3.747 -2.471 2.099
74 HB3 CYS 12 2HB CYS 12 4.533 -4.051 1.951
75 H ARG 13 H ARG 13 5.551 -2.578 -1.614
76 HA ARG 13 HA ARG 13 6.131 -5.351 -2.576
77 HB2 ARG 13 1HB ARG 13 7.212 -4.382 -4.470
78 HB3 ARG 13 2HB ARG 13 5.589 -3.727 -4.294
79 HG2 ARG 13 1HG ARG 13 6.562 -1.627 -3.319
80 HG3 ARG 13 2HG ARG 13 8.190 -2.294 -3.568
81 HD2 ARG 13 1HD ARG 13 7.694 -2.512 -6.014
82 HD3 ARG 13 2HD ARG 13 6.096 -1.832 -5.736
83 HE ARG 13 HE ARG 13 6.986 0.302 -5.473
84 HH11 ARG 13 2HH1 ARG 13 9.681 -1.926 -5.752
85 HH12 ARG 13 1HH1 ARG 13 10.799 -0.657 -6.168
86 HH21 ARG 13 2HH2 ARG 13 8.459 1.856 -6.040
87 HH22 ARG 13 1HH2 ARG 13 10.117 1.424 -6.326
88 H PHE 14 H PHE 14 7.448 -2.990 -0.470
89 HA PHE 14 HA PHE 14 10.227 -3.966 -0.741
90 HB2 PHE 14 1HB PHE 14 9.041 -1.912 1.132
91 HB3 PHE 14 2HB PHE 14 10.744 -2.216 0.873
92 HD1 PHE 14 1HD PHE 14 7.676 -0.692 -0.535
93 HD2 PHE 14 2HD PHE 14 11.892 -1.392 -1.137
94 HE1 PHE 14 1HE PHE 14 7.725 1.088 -2.263
95 HE2 PHE 14 2HE PHE 14 11.937 0.404 -2.853
96 HZ PHE 14 HZ PHE 14 9.863 1.663 -3.394
97 H CYS 15 H CYS 15 7.649 -3.939 1.745
98 HA CYS 15 HA CYS 15 9.117 -6.050 3.256
99 HB2 CYS 15 1HB CYS 15 8.489 -5.073 5.317
100 HB3 CYS 15 2HB CYS 15 9.326 -3.879 4.336
101 H LYS 16 H LYS 16 6.481 -5.737 1.401
102 HA LYS 16 HA LYS 16 4.650 -7.002 0.987
103 HB2 LYS 16 1HB LYS 16 6.563 -8.922 2.248
104 HB3 LYS 16 2HB LYS 16 4.926 -9.471 1.996
105 HG2 LYS 16 1HG LYS 16 6.226 -10.100 0.104
106 HG3 LYS 16 2HG LYS 16 5.002 -8.935 -0.371
107 HD2 LYS 16 1HD LYS 16 7.083 -8.569 -1.560
108 HD3 LYS 16 2HD LYS 16 6.698 -7.165 -0.564
109 HE2 LYS 16 1HE LYS 16 8.367 -7.758 1.076
110 HE3 LYS 16 2HE LYS 16 8.586 -9.365 0.376
111 HZ1 LYS 16 3HZ LYS 16 10.341 -7.707 -0.243
112 HZ2 LYS 16 1HZ LYS 16 9.233 -6.885 -1.132
113 HZ3 LYS 16 2HZ LYS 16 9.626 -8.415 -1.530
114 H LYS 17 H LYS 17 4.667 -5.553 3.776
115 HA LYS 17 HA LYS 17 2.491 -6.848 5.168
116 HB2 LYS 17 1HB LYS 17 3.391 -3.937 5.204
117 HB3 LYS 17 2HB LYS 17 2.207 -4.681 6.297
118 HG2 LYS 17 1HG LYS 17 3.945 -6.263 7.113
119 HG3 LYS 17 2HG LYS 17 5.138 -5.511 6.040
120 HD2 LYS 17 1HD LYS 17 4.810 -3.336 7.218
121 HD3 LYS 17 2HD LYS 17 3.674 -4.134 8.332
122 HE2 LYS 17 1HE LYS 17 5.483 -5.734 8.985
123 HE3 LYS 17 2HE LYS 17 6.601 -4.897 7.898
124 HZ1 LYS 17 3HZ LYS 17 6.320 -2.895 9.257
125 HZ2 LYS 17 1HZ LYS 17 6.838 -4.127 10.191
126 HZ3 LYS 17 2HZ LYS 17 5.276 -3.662 10.258
127 H LYS 18 H LYS 18 0.346 -6.269 5.302
128 HA LYS 18 HA LYS 18 -0.890 -5.465 2.715
129 HB2 LYS 18 1HB LYS 18 -1.820 -7.039 5.132
130 HB3 LYS 18 2HB LYS 18 -2.918 -6.550 3.827
131 HG2 LYS 18 1HG LYS 18 -1.596 -7.799 2.175
132 HG3 LYS 18 2HG LYS 18 -0.390 -8.207 3.391
133 HD2 LYS 18 1HD LYS 18 -1.831 -10.128 2.994
134 HD3 LYS 18 2HD LYS 18 -2.000 -9.543 4.644
135 HE2 LYS 18 1HE LYS 18 -4.174 -10.144 3.844
136 HE3 LYS 18 2HE LYS 18 -4.126 -8.391 4.021
137 HZ1 LYS 18 3HZ LYS 18 -3.808 -9.863 1.452
138 HZ2 LYS 18 1HZ LYS 18 -3.795 -8.232 1.602
139 HZ3 LYS 18 2HZ LYS 18 -5.157 -9.074 1.923
140 H TYR 19 H TYR 19 -2.537 -4.030 2.521
141 HA TYR 19 HA TYR 19 -3.292 -2.277 4.804
142 HB2 TYR 19 1HB TYR 19 -1.966 -1.464 2.205
143 HB3 TYR 19 2HB TYR 19 -3.109 -0.379 2.976
144 HD1 TYR 19 1HD TYR 19 -2.736 0.549 5.212
145 HD2 TYR 19 2HD TYR 19 0.260 -1.864 3.258
146 HE1 TYR 19 1HE TYR 19 -1.061 1.275 6.898
147 HE2 TYR 19 2HE TYR 19 1.935 -1.147 4.963
148 HH TYR 19 HH TYR 19 1.058 1.030 7.684
149 H SER 20 H SER 20 -5.242 -1.029 4.427
150 HA SER 20 HA SER 20 -7.264 -2.555 2.952
151 HB2 SER 20 1HB SER 20 -7.533 0.013 4.552
152 HB3 SER 20 2HB SER 20 -8.855 -1.013 3.965
153 HG SER 20 HG SER 20 -8.316 -1.460 6.157
154 H ASP 21 H ASP 21 -5.773 0.680 2.634
155 HA ASP 21 HA ASP 21 -7.191 1.104 0.033
156 HB2 ASP 21 1HB ASP 21 -6.840 3.038 2.353
157 HB3 ASP 21 2HB ASP 21 -7.352 3.516 0.737
158 H VAL 22 H VAL 22 -6.148 2.291 -1.536
159 HA VAL 22 HA VAL 22 -3.355 1.922 -1.705
160 HB VAL 22 HB VAL 22 -4.965 2.117 -3.584
161 HG11 VAL 22 1HG1 VAL 22 -5.492 4.213 -4.627
162 HG12 VAL 22 2HG1 VAL 22 -6.116 4.229 -2.974
163 HG13 VAL 22 3HG1 VAL 22 -4.627 5.123 -3.382
164 HG21 VAL 22 3HG2 VAL 22 -2.536 2.063 -3.945
165 HG22 VAL 22 1HG2 VAL 22 -3.368 3.029 -5.173
166 HG23 VAL 22 2HG2 VAL 22 -2.488 3.838 -3.863
167 H LYS 23 H LYS 23 -5.170 4.854 -0.752
168 HA LYS 23 HA LYS 23 -2.961 6.572 -0.816
169 HB2 LYS 23 1HB LYS 23 -5.404 6.734 1.011
170 HB3 LYS 23 2HB LYS 23 -4.366 8.087 0.530
171 HG2 LYS 23 1HG LYS 23 -4.994 7.693 -1.860
172 HG3 LYS 23 2HG LYS 23 -6.105 6.415 -1.359
173 HD2 LYS 23 1HD LYS 23 -6.310 9.335 -0.607
174 HD3 LYS 23 2HD LYS 23 -7.272 8.457 -1.816
175 HE2 LYS 23 1HE LYS 23 -8.169 6.978 -0.024
176 HE3 LYS 23 2HE LYS 23 -7.262 7.901 1.184
177 HZ1 LYS 23 3HZ LYS 23 -9.553 8.679 1.025
178 HZ2 LYS 23 1HZ LYS 23 -9.391 9.020 -0.561
179 HZ3 LYS 23 2HZ LYS 23 -8.548 9.873 0.550
180 H ASN 24 H ASN 24 -4.110 4.464 1.785
181 HA ASN 24 HA ASN 24 -2.212 5.383 3.786
182 HB2 ASN 24 1HB ASN 24 -4.489 4.266 4.156
183 HB3 ASN 24 2HB ASN 24 -3.725 2.740 3.703
184 HD21 ASN 24 1HD2 ASN 24 -4.755 2.512 6.045
185 HD22 ASN 24 2HD2 ASN 24 -3.608 2.788 7.346
186 H LEU 25 H LEU 25 -2.271 2.699 1.404
187 HA LEU 25 HA LEU 25 0.260 1.557 2.072
188 HB2 LEU 25 1HB LEU 25 -1.376 0.426 0.678
189 HB3 LEU 25 2HB LEU 25 -1.314 1.710 -0.523
190 HG LEU 25 HG LEU 25 1.015 1.132 -1.089
191 HD11 LEU 25 1HD1 LEU 25 2.002 -0.950 -0.264
192 HD12 LEU 25 2HD1 LEU 25 0.643 -1.186 0.861
193 HD13 LEU 25 3HD1 LEU 25 1.772 0.174 1.070
194 HD21 LEU 25 3HD2 LEU 25 -0.866 -1.255 -1.138
195 HD22 LEU 25 1HD2 LEU 25 0.521 -0.977 -2.212
196 HD23 LEU 25 2HD2 LEU 25 -0.882 0.099 -2.292
197 H ILE 26 H ILE 26 -0.536 4.242 -0.210
198 HA ILE 26 HA ILE 26 2.189 4.735 -0.986
199 HB ILE 26 HB ILE 26 -0.310 6.451 -1.049
200 HG12 ILE 26 1HG1 ILE 26 1.350 5.205 -3.298
201 HG13 ILE 26 2HG1 ILE 26 -0.016 4.384 -2.563
202 HG21 ILE 26 1HG2 ILE 26 2.463 7.137 -2.143
203 HG22 ILE 26 2HG2 ILE 26 0.973 8.036 -2.504
204 HG23 ILE 26 3HG2 ILE 26 1.590 8.014 -0.864
205 HD11 ILE 26 3HD1 ILE 26 -0.147 6.996 -4.119
206 HD12 ILE 26 1HD1 ILE 26 -0.749 5.410 -4.608
207 HD13 ILE 26 2HD1 ILE 26 -1.516 6.259 -3.249
208 H LYS 27 H LYS 27 0.227 6.162 1.692
209 HA LYS 27 HA LYS 27 2.333 7.822 2.722
210 HB2 LYS 27 1HB LYS 27 -0.107 6.550 4.016
211 HB3 LYS 27 2HB LYS 27 1.017 7.581 4.911
212 HG2 LYS 27 1HG LYS 27 0.630 9.454 3.402
213 HG3 LYS 27 2HG LYS 27 -0.425 8.472 2.377
214 HD2 LYS 27 1HD LYS 27 -2.007 8.180 4.271
215 HD3 LYS 27 2HD LYS 27 -0.943 9.163 5.304
216 HE2 LYS 27 1HE LYS 27 -1.201 11.072 3.714
217 HE3 LYS 27 2HE LYS 27 -2.293 10.093 2.725
218 HZ1 LYS 27 3HZ LYS 27 -3.807 9.981 4.644
219 HZ2 LYS 27 1HZ LYS 27 -3.523 11.537 4.244
220 HZ3 LYS 27 2HZ LYS 27 -2.792 10.888 5.548
221 H HIS 28 H HIS 28 1.633 4.370 3.403
222 HA HIS 28 HA HIS 28 3.752 3.959 5.280
223 HB2 HIS 28 1HB HIS 28 2.073 2.291 5.007
224 HB3 HIS 28 2HB HIS 28 2.366 2.131 3.288
225 HD1 HIS 28 1HD HIS 28 3.800 0.962 6.607
226 HD2 HIS 28 2HD HIS 28 4.387 0.588 2.470
227 HE1 HIS 28 1HE HIS 28 5.495 -0.906 6.321
228 H ILE 29 H ILE 29 3.794 3.613 1.681
229 HA ILE 29 HA ILE 29 6.576 2.984 1.488
230 HB ILE 29 HB ILE 29 4.633 4.221 -0.476
231 HG12 ILE 29 1HG1 ILE 29 5.833 1.418 -0.462
232 HG13 ILE 29 2HG1 ILE 29 4.336 1.798 0.372
233 HG21 ILE 29 1HG2 ILE 29 6.292 3.663 -2.265
234 HG22 ILE 29 2HG2 ILE 29 6.877 4.918 -1.191
235 HG23 ILE 29 3HG2 ILE 29 7.479 3.258 -1.010
236 HD11 ILE 29 3HD1 ILE 29 3.328 2.587 -1.774
237 HD12 ILE 29 1HD1 ILE 29 4.790 2.031 -2.624
238 HD13 ILE 29 2HD1 ILE 29 3.771 0.869 -1.761
239 H ARG 30 H ARG 30 4.953 6.194 1.355
240 HA ARG 30 HA ARG 30 7.445 7.641 1.076
241 HB2 ARG 30 1HB ARG 30 4.650 8.564 1.848
242 HB3 ARG 30 2HB ARG 30 6.019 9.638 1.609
243 HG2 ARG 30 1HG ARG 30 6.046 8.079 -0.737
244 HG3 ARG 30 2HG ARG 30 4.328 8.287 -0.397
245 HD2 ARG 30 1HD ARG 30 5.031 10.085 -1.829
246 HD3 ARG 30 2HD ARG 30 4.711 10.762 -0.220
247 HE ARG 30 HE ARG 30 7.508 9.956 -0.663
248 HH11 ARG 30 2HH1 ARG 30 5.366 12.678 -1.219
249 HH12 ARG 30 1HH1 ARG 30 6.680 13.821 -1.156
250 HH21 ARG 30 2HH2 ARG 30 9.078 11.424 -0.460
251 HH22 ARG 30 1HH2 ARG 30 8.756 13.116 -0.776
252 H ASP 31 H ASP 31 6.136 6.212 3.882
253 HA ASP 31 HA ASP 31 7.755 7.974 5.660
254 HB2 ASP 31 1HB ASP 31 5.380 7.491 6.207
255 HB3 ASP 31 2HB ASP 31 5.784 5.778 6.355
256 H MET 32 H MET 32 7.602 4.603 4.527
257 HA MET 32 HA MET 32 9.932 3.869 6.240
258 HB2 MET 32 1HB MET 32 7.846 2.193 4.796
259 HB3 MET 32 2HB MET 32 9.159 1.547 5.769
260 HG2 MET 32 1HG MET 32 6.929 3.347 6.782
261 HG3 MET 32 2HG MET 32 7.019 1.606 6.988
262 HE1 MET 32 3HE MET 32 9.912 1.115 9.570
263 HE2 MET 32 1HE MET 32 8.674 0.333 8.563
264 HE3 MET 32 2HE MET 32 10.114 1.061 7.808
265 H HIS 33 H HIS 33 9.119 4.184 2.820
266 HA HIS 33 HA HIS 33 11.706 2.902 2.041
267 HB2 HIS 33 1HB HIS 33 9.079 2.444 0.609
268 HB3 HIS 33 2HB HIS 33 10.592 1.573 0.407
269 HD1 HIS 33 1HD HIS 33 11.214 0.395 3.166
270 HD2 HIS 33 2HD HIS 33 7.328 0.936 1.670
271 HE1 HIS 33 1HE HIS 33 9.752 -1.237 4.449
272 H ASP 34 H ASP 34 10.683 5.798 2.111
273 HA ASP 34 HA ASP 34 9.866 6.619 -0.399
274 HB2 ASP 34 1HB ASP 34 9.732 7.813 1.817
275 HB3 ASP 34 2HB ASP 34 11.380 8.371 1.553
276 HA PRO 35 HA PRO 35 13.642 6.532 -2.875
277 HB2 PRO 35 1HB PRO 35 12.033 8.427 -4.592
278 HB3 PRO 35 2HB PRO 35 13.033 7.024 -5.088
279 HG2 PRO 35 1HG PRO 35 10.346 6.772 -4.946
280 HG3 PRO 35 2HG PRO 35 11.391 5.477 -4.270
281 HD2 PRO 35 1HD PRO 35 9.999 7.730 -2.794
282 HD3 PRO 35 2HD PRO 35 10.077 5.987 -2.394
283 H GLN 36 H GLN 36 15.484 7.769 -2.960
284 HA GLN 36 HA GLN 36 15.541 10.631 -2.486
285 HB2 GLN 36 1HB GLN 36 16.672 10.456 -0.307
286 HB3 GLN 36 2HB GLN 36 15.029 9.834 -0.246
287 HG2 GLN 36 1HG GLN 36 16.065 7.472 -0.526
288 HG3 GLN 36 2HG GLN 36 17.622 8.242 -0.214
289 HE21 GLN 36 1HE2 GLN 36 14.387 7.541 1.154
290 HE22 GLN 36 2HE2 GLN 36 14.892 7.752 2.833
291 H ASP 37 H ASP 37 17.546 11.486 -2.735
292 HA ASP 37 HA ASP 37 19.901 9.839 -3.487
293 HB2 ASP 37 1HB ASP 37 18.657 10.192 -5.580
294 HB3 ASP 37 2HB ASP 37 18.629 11.928 -5.298
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -4.553 -16.619 10.799
2 H2 GLY 1 2H GLY 1 -5.136 -17.966 11.521
3 H3 GLY 1 3H GLY 1 -3.541 -17.604 11.634
4 HA2 GLY 1 1HA GLY 1 -4.678 -17.111 13.712
5 HA3 GLY 1 2HA GLY 1 -3.993 -15.658 12.957
6 H SER 2 H SER 2 -5.381 -13.994 13.247
7 HA SER 2 HA SER 2 -8.292 -14.266 13.242
8 HB2 SER 2 1HB SER 2 -8.190 -11.775 13.548
9 HB3 SER 2 2HB SER 2 -7.357 -12.728 14.781
10 HG SER 2 HG SER 2 -6.100 -10.938 14.047
11 H SER 3 H SER 3 -7.341 -15.283 10.913
12 HA SER 3 HA SER 3 -7.027 -13.425 8.749
13 HB2 SER 3 1HB SER 3 -7.519 -16.421 8.657
14 HB3 SER 3 2HB SER 3 -6.771 -15.427 7.398
15 HG SER 3 HG SER 3 -5.008 -15.079 8.734
16 H GLY 4 H GLY 4 -8.289 -13.177 6.860
17 HA2 GLY 4 1HA GLY 4 -10.850 -14.292 6.354
18 HA3 GLY 4 2HA GLY 4 -11.079 -12.778 7.233
19 H SER 5 H SER 5 -12.248 -12.440 5.092
20 HA SER 5 HA SER 5 -10.637 -11.785 2.744
21 HB2 SER 5 1HB SER 5 -12.850 -11.283 1.737
22 HB3 SER 5 2HB SER 5 -12.746 -12.898 2.451
23 HG SER 5 HG SER 5 -14.696 -11.807 3.023
24 H SER 6 H SER 6 -10.992 -10.041 5.485
25 HA SER 6 HA SER 6 -11.959 -7.523 4.775
26 HB2 SER 6 1HB SER 6 -9.803 -8.155 6.821
27 HB3 SER 6 2HB SER 6 -10.839 -6.714 6.784
28 HG SER 6 HG SER 6 -11.648 -8.301 8.227
29 H GLY 7 H GLY 7 -11.053 -5.528 4.316
30 HA2 GLY 7 1HA GLY 7 -9.595 -3.981 3.396
31 HA3 GLY 7 2HA GLY 7 -8.259 -5.109 3.620
32 H ILE 8 H ILE 8 -7.451 -4.486 1.555
33 HA ILE 8 HA ILE 8 -8.791 -5.769 -0.785
34 HB ILE 8 HB ILE 8 -8.099 -3.900 -2.207
35 HG12 ILE 8 1HG1 ILE 8 -7.375 -2.424 0.359
36 HG13 ILE 8 2HG1 ILE 8 -6.216 -3.050 -0.805
37 HG21 ILE 8 1HG2 ILE 8 -9.901 -2.422 -1.647
38 HG22 ILE 8 2HG2 ILE 8 -10.386 -4.056 -1.189
39 HG23 ILE 8 3HG2 ILE 8 -9.860 -2.906 0.060
40 HD11 ILE 8 3HD1 ILE 8 -7.240 -1.559 -2.561
41 HD12 ILE 8 1HD1 ILE 8 -8.254 -0.840 -1.288
42 HD13 ILE 8 2HD1 ILE 8 -6.493 -0.697 -1.201
43 H LYS 9 H LYS 9 -7.054 -5.657 -2.716
44 HA LYS 9 HA LYS 9 -4.918 -7.447 -1.854
45 HB2 LYS 9 1HB LYS 9 -5.582 -6.302 -4.601
46 HB3 LYS 9 2HB LYS 9 -4.448 -7.611 -4.290
47 HG2 LYS 9 1HG LYS 9 -7.453 -7.708 -3.809
48 HG3 LYS 9 2HG LYS 9 -6.559 -8.465 -5.129
49 HD2 LYS 9 1HD LYS 9 -5.272 -9.801 -3.396
50 HD3 LYS 9 2HD LYS 9 -6.391 -9.196 -2.169
51 HE2 LYS 9 1HE LYS 9 -7.172 -10.777 -4.662
52 HE3 LYS 9 2HE LYS 9 -6.953 -11.471 -3.055
53 HZ1 LYS 9 3HZ LYS 9 -9.283 -11.020 -3.475
54 HZ2 LYS 9 1HZ LYS 9 -9.007 -9.442 -3.765
55 HZ3 LYS 9 2HZ LYS 9 -8.779 -10.057 -2.263
56 H GLN 10 H GLN 10 -4.902 -4.124 -1.804
57 HA GLN 10 HA GLN 10 -2.340 -3.539 -2.968
58 HB2 GLN 10 1HB GLN 10 -4.043 -2.040 -0.942
59 HB3 GLN 10 2HB GLN 10 -2.552 -1.398 -1.607
60 HG2 GLN 10 1HG GLN 10 -4.968 -2.191 -3.291
61 HG3 GLN 10 2HG GLN 10 -4.607 -0.559 -2.744
62 HE21 GLN 10 1HE2 GLN 10 -4.918 -0.778 -5.405
63 HE22 GLN 10 2HE2 GLN 10 -3.352 -0.721 -6.204
64 H HIS 11 H HIS 11 -0.423 -4.096 -2.322
65 HA HIS 11 HA HIS 11 0.242 -4.350 0.542
66 HB2 HIS 11 1HB HIS 11 1.311 -6.514 0.171
67 HB3 HIS 11 2HB HIS 11 -0.405 -6.586 -0.200
68 HD1 HIS 11 1HD HIS 11 -1.032 -6.828 -2.872
69 HD2 HIS 11 2HD HIS 11 3.044 -6.992 -1.813
70 HE1 HIS 11 1HE HIS 11 0.202 -7.773 -4.900
71 H CYS 12 H CYS 12 2.433 -4.297 1.067
72 HA CYS 12 HA CYS 12 3.965 -2.348 -0.359
73 HB2 CYS 12 1HB CYS 12 3.874 -2.585 2.082
74 HB3 CYS 12 2HB CYS 12 4.682 -4.164 1.959
75 H ARG 13 H ARG 13 5.625 -2.461 -1.637
76 HA ARG 13 HA ARG 13 6.405 -4.993 -2.925
77 HB2 ARG 13 1HB ARG 13 6.141 -2.318 -3.776
78 HB3 ARG 13 2HB ARG 13 7.872 -2.551 -3.737
79 HG2 ARG 13 1HG ARG 13 5.742 -4.130 -5.238
80 HG3 ARG 13 2HG ARG 13 6.857 -2.948 -5.920
81 HD2 ARG 13 1HD ARG 13 7.535 -5.699 -4.827
82 HD3 ARG 13 2HD ARG 13 7.554 -5.133 -6.492
83 HE ARG 13 HE ARG 13 9.524 -4.589 -4.359
84 HH11 ARG 13 2HH1 ARG 13 8.654 -3.804 -7.669
85 HH12 ARG 13 1HH1 ARG 13 10.225 -3.136 -8.018
86 HH21 ARG 13 2HH2 ARG 13 11.499 -3.751 -4.882
87 HH22 ARG 13 1HH2 ARG 13 11.796 -3.112 -6.473
88 H PHE 14 H PHE 14 7.468 -3.347 -0.204
89 HA PHE 14 HA PHE 14 10.309 -4.268 -0.524
90 HB2 PHE 14 1HB PHE 14 9.290 -1.883 1.023
91 HB3 PHE 14 2HB PHE 14 10.960 -2.281 0.662
92 HD1 PHE 14 2HD PHE 14 11.776 -2.130 -1.754
93 HD2 PHE 14 1HD PHE 14 7.915 -0.657 -0.518
94 HE1 PHE 14 2HE PHE 14 11.620 -0.777 -3.835
95 HE2 PHE 14 1HE PHE 14 7.768 0.700 -2.592
96 HZ PHE 14 HZ PHE 14 9.618 0.637 -4.256
97 H CYS 15 H CYS 15 7.585 -4.136 1.755
98 HA CYS 15 HA CYS 15 9.038 -6.076 3.461
99 HB2 CYS 15 1HB CYS 15 8.586 -4.954 5.484
100 HB3 CYS 15 2HB CYS 15 9.405 -3.843 4.403
101 H LYS 16 H LYS 16 6.593 -5.948 1.560
102 HA LYS 16 HA LYS 16 4.747 -7.159 1.162
103 HB2 LYS 16 1HB LYS 16 6.171 -9.049 3.047
104 HB3 LYS 16 2HB LYS 16 4.836 -9.508 1.983
105 HG2 LYS 16 1HG LYS 16 6.105 -8.771 0.004
106 HG3 LYS 16 2HG LYS 16 7.482 -8.337 1.033
107 HD2 LYS 16 1HD LYS 16 7.677 -10.665 1.803
108 HD3 LYS 16 2HD LYS 16 6.312 -11.151 0.786
109 HE2 LYS 16 1HE LYS 16 8.825 -9.805 -0.292
110 HE3 LYS 16 2HE LYS 16 8.687 -11.560 -0.124
111 HZ1 LYS 16 3HZ LYS 16 6.777 -11.500 -1.631
112 HZ2 LYS 16 1HZ LYS 16 8.089 -10.868 -2.359
113 HZ3 LYS 16 2HZ LYS 16 6.912 -9.880 -1.813
114 H LYS 17 H LYS 17 4.488 -5.455 3.797
115 HA LYS 17 HA LYS 17 2.179 -6.630 5.133
116 HB2 LYS 17 1HB LYS 17 3.106 -3.737 4.927
117 HB3 LYS 17 2HB LYS 17 1.807 -4.357 5.968
118 HG2 LYS 17 1HG LYS 17 3.374 -5.655 7.291
119 HG3 LYS 17 2HG LYS 17 4.663 -5.417 6.107
120 HD2 LYS 17 1HD LYS 17 4.582 -2.930 6.606
121 HD3 LYS 17 2HD LYS 17 3.453 -3.290 7.915
122 HE2 LYS 17 1HE LYS 17 5.717 -3.053 8.787
123 HE3 LYS 17 2HE LYS 17 5.158 -4.712 9.013
124 HZ1 LYS 17 3HZ LYS 17 6.880 -3.869 6.729
125 HZ2 LYS 17 1HZ LYS 17 6.499 -5.393 7.140
126 HZ3 LYS 17 2HZ LYS 17 7.471 -4.518 8.124
127 H LYS 18 H LYS 18 0.032 -5.480 5.163
128 HA LYS 18 HA LYS 18 -0.830 -4.627 2.442
129 HB2 LYS 18 1HB LYS 18 -2.390 -6.294 2.218
130 HB3 LYS 18 2HB LYS 18 -0.973 -7.071 2.904
131 HG2 LYS 18 1HG LYS 18 -2.778 -8.090 3.957
132 HG3 LYS 18 2HG LYS 18 -2.048 -7.049 5.162
133 HD2 LYS 18 1HD LYS 18 -4.554 -7.135 5.210
134 HD3 LYS 18 2HD LYS 18 -3.904 -5.522 5.095
135 HE2 LYS 18 1HE LYS 18 -5.782 -5.610 3.636
136 HE3 LYS 18 2HE LYS 18 -4.353 -5.532 2.616
137 HZ1 LYS 18 3HZ LYS 18 -5.772 -7.172 1.730
138 HZ2 LYS 18 1HZ LYS 18 -6.011 -7.932 3.171
139 HZ3 LYS 18 2HZ LYS 18 -4.558 -8.022 2.414
140 H TYR 19 H TYR 19 -2.850 -3.607 2.235
141 HA TYR 19 HA TYR 19 -3.797 -2.190 4.695
142 HB2 TYR 19 1HB TYR 19 -2.862 -0.970 2.075
143 HB3 TYR 19 2HB TYR 19 -3.777 -0.089 3.293
144 HD1 TYR 19 1HD TYR 19 -2.864 0.305 5.572
145 HD2 TYR 19 2HD TYR 19 -0.486 -1.497 2.457
146 HE1 TYR 19 1HE TYR 19 -0.808 0.643 6.941
147 HE2 TYR 19 2HE TYR 19 1.569 -1.156 3.828
148 HH TYR 19 HH TYR 19 2.416 -0.421 5.832
149 H SER 20 H SER 20 -5.787 -1.001 4.477
150 HA SER 20 HA SER 20 -7.835 -2.501 2.989
151 HB2 SER 20 1HB SER 20 -9.387 -1.177 4.424
152 HB3 SER 20 2HB SER 20 -8.213 -2.142 5.333
153 HG SER 20 HG SER 20 -8.392 0.015 6.138
154 H ASP 21 H ASP 21 -6.110 0.442 2.555
155 HA ASP 21 HA ASP 21 -7.617 0.986 0.115
156 HB2 ASP 21 1HB ASP 21 -8.656 2.337 2.083
157 HB3 ASP 21 2HB ASP 21 -7.183 3.302 2.019
158 H VAL 22 H VAL 22 -6.381 2.341 -1.360
159 HA VAL 22 HA VAL 22 -3.601 1.581 -1.336
160 HB VAL 22 HB VAL 22 -5.056 1.845 -3.339
161 HG11 VAL 22 1HG1 VAL 22 -5.311 3.961 -4.463
162 HG12 VAL 22 2HG1 VAL 22 -6.062 4.054 -2.866
163 HG13 VAL 22 3HG1 VAL 22 -4.478 4.821 -3.160
164 HG21 VAL 22 3HG2 VAL 22 -2.602 1.592 -3.510
165 HG22 VAL 22 1HG2 VAL 22 -3.291 2.538 -4.839
166 HG23 VAL 22 2HG2 VAL 22 -2.435 3.359 -3.521
167 H LYS 23 H LYS 23 -5.204 4.533 -0.328
168 HA LYS 23 HA LYS 23 -2.901 6.205 -0.581
169 HB2 LYS 23 1HB LYS 23 -5.261 6.691 1.300
170 HB3 LYS 23 2HB LYS 23 -4.085 7.869 0.732
171 HG2 LYS 23 1HG LYS 23 -5.724 8.375 -0.759
172 HG3 LYS 23 2HG LYS 23 -4.965 7.076 -1.685
173 HD2 LYS 23 1HD LYS 23 -6.655 5.497 -0.552
174 HD3 LYS 23 2HD LYS 23 -7.457 6.936 0.079
175 HE2 LYS 23 1HE LYS 23 -7.882 7.725 -2.217
176 HE3 LYS 23 2HE LYS 23 -6.957 6.368 -2.878
177 HZ1 LYS 23 3HZ LYS 23 -9.474 6.125 -1.323
178 HZ2 LYS 23 1HZ LYS 23 -8.590 4.859 -1.808
179 HZ3 LYS 23 2HZ LYS 23 -9.310 5.834 -2.927
180 H ASN 24 H ASN 24 -4.043 4.168 2.059
181 HA ASN 24 HA ASN 24 -2.117 5.018 4.043
182 HB2 ASN 24 1HB ASN 24 -3.690 2.421 3.703
183 HB3 ASN 24 2HB ASN 24 -2.742 2.848 5.126
184 HD21 ASN 24 1HD2 ASN 24 -3.468 4.635 6.490
185 HD22 ASN 24 2HD2 ASN 24 -5.140 5.163 6.380
186 H LEU 25 H LEU 25 -2.050 2.499 1.485
187 HA LEU 25 HA LEU 25 0.561 1.492 2.148
188 HB2 LEU 25 1HB LEU 25 -0.962 0.204 0.768
189 HB3 LEU 25 2HB LEU 25 -1.052 1.486 -0.431
190 HG LEU 25 HG LEU 25 1.310 1.172 -1.027
191 HD11 LEU 25 1HD1 LEU 25 2.196 0.304 1.142
192 HD12 LEU 25 2HD1 LEU 25 2.583 -0.738 -0.220
193 HD13 LEU 25 3HD1 LEU 25 1.280 -1.201 0.893
194 HD21 LEU 25 3HD2 LEU 25 -0.445 -0.090 -2.204
195 HD22 LEU 25 1HD2 LEU 25 -0.256 -1.421 -1.039
196 HD23 LEU 25 2HD2 LEU 25 1.077 -0.988 -2.129
197 H ILE 26 H ILE 26 -0.498 4.092 -0.125
198 HA ILE 26 HA ILE 26 2.145 4.752 -1.015
199 HB ILE 26 HB ILE 26 -0.438 6.341 -0.936
200 HG12 ILE 26 1HG1 ILE 26 1.117 5.100 -3.261
201 HG13 ILE 26 2HG1 ILE 26 -0.178 4.262 -2.422
202 HG21 ILE 26 1HG2 ILE 26 2.221 7.122 -2.227
203 HG22 ILE 26 2HG2 ILE 26 0.673 7.951 -2.502
204 HG23 ILE 26 3HG2 ILE 26 1.397 7.984 -0.905
205 HD11 ILE 26 3HD1 ILE 26 -1.773 6.064 -3.063
206 HD12 ILE 26 1HD1 ILE 26 -0.483 6.820 -4.033
207 HD13 ILE 26 2HD1 ILE 26 -1.058 5.202 -4.442
208 H LYS 27 H LYS 27 0.247 6.110 1.732
209 HA LYS 27 HA LYS 27 2.309 7.868 2.692
210 HB2 LYS 27 1HB LYS 27 -0.018 6.465 4.062
211 HB3 LYS 27 2HB LYS 27 1.071 7.569 4.915
212 HG2 LYS 27 1HG LYS 27 0.519 9.404 3.412
213 HG3 LYS 27 2HG LYS 27 -0.506 8.354 2.425
214 HD2 LYS 27 1HD LYS 27 -2.006 7.976 4.367
215 HD3 LYS 27 2HD LYS 27 -0.974 9.028 5.364
216 HE2 LYS 27 1HE LYS 27 -1.398 10.911 3.780
217 HE3 LYS 27 2HE LYS 27 -2.454 9.861 2.825
218 HZ1 LYS 27 3HZ LYS 27 -2.923 10.632 5.660
219 HZ2 LYS 27 1HZ LYS 27 -3.904 9.662 4.783
220 HZ3 LYS 27 2HZ LYS 27 -3.729 11.232 4.375
221 H HIS 28 H HIS 28 1.740 4.402 3.425
222 HA HIS 28 HA HIS 28 3.904 4.082 5.258
223 HB2 HIS 28 1HB HIS 28 2.251 2.389 5.108
224 HB3 HIS 28 2HB HIS 28 2.448 2.202 3.374
225 HD1 HIS 28 1HD HIS 28 4.333 1.337 6.613
226 HD2 HIS 28 2HD HIS 28 4.328 0.572 2.476
227 HE1 HIS 28 1HE HIS 28 5.996 -0.535 6.259
228 H ILE 29 H ILE 29 3.882 3.664 1.669
229 HA ILE 29 HA ILE 29 6.662 3.010 1.442
230 HB ILE 29 HB ILE 29 4.712 4.238 -0.525
231 HG12 ILE 29 1HG1 ILE 29 5.816 1.396 -0.503
232 HG13 ILE 29 2HG1 ILE 29 4.358 1.821 0.374
233 HG21 ILE 29 1HG2 ILE 29 6.317 3.600 -2.316
234 HG22 ILE 29 2HG2 ILE 29 7.017 4.801 -1.248
235 HG23 ILE 29 3HG2 ILE 29 7.483 3.093 -1.084
236 HD11 ILE 29 3HD1 ILE 29 3.301 2.632 -1.740
237 HD12 ILE 29 1HD1 ILE 29 4.731 2.068 -2.636
238 HD13 ILE 29 2HD1 ILE 29 3.725 0.907 -1.764
239 H ARG 30 H ARG 30 5.010 6.195 1.298
240 HA ARG 30 HA ARG 30 7.428 7.739 0.947
241 HB2 ARG 30 1HB ARG 30 4.638 8.435 1.943
242 HB3 ARG 30 2HB ARG 30 5.913 9.639 1.721
243 HG2 ARG 30 1HG ARG 30 6.091 9.141 -0.654
244 HG3 ARG 30 2HG ARG 30 4.922 7.820 -0.519
245 HD2 ARG 30 1HD ARG 30 3.182 9.420 0.208
246 HD3 ARG 30 2HD ARG 30 4.348 10.754 0.059
247 HE ARG 30 HE ARG 30 4.305 9.400 -2.422
248 HH11 ARG 30 2HH1 ARG 30 2.072 11.355 -0.563
249 HH12 ARG 30 1HH1 ARG 30 1.208 11.882 -1.981
250 HH21 ARG 30 2HH2 ARG 30 3.165 10.116 -4.191
251 HH22 ARG 30 1HH2 ARG 30 1.820 11.197 -3.979
252 H ASP 31 H ASP 31 6.161 6.259 3.815
253 HA ASP 31 HA ASP 31 7.801 7.972 5.591
254 HB2 ASP 31 1HB ASP 31 5.477 7.392 6.184
255 HB3 ASP 31 2HB ASP 31 5.913 5.682 6.221
256 H MET 32 H MET 32 7.717 4.547 4.519
257 HA MET 32 HA MET 32 10.195 4.007 6.102
258 HB2 MET 32 1HB MET 32 8.142 2.079 4.955
259 HB3 MET 32 2HB MET 32 9.547 1.666 5.941
260 HG2 MET 32 1HG MET 32 8.535 3.298 7.704
261 HG3 MET 32 2HG MET 32 7.055 3.168 6.748
262 HE1 MET 32 3HE MET 32 9.508 1.507 9.249
263 HE2 MET 32 1HE MET 32 8.997 -0.194 9.283
264 HE3 MET 32 2HE MET 32 9.835 0.448 7.858
265 H HIS 33 H HIS 33 9.204 4.242 2.768
266 HA HIS 33 HA HIS 33 11.727 2.944 1.846
267 HB2 HIS 33 1HB HIS 33 9.029 2.498 0.551
268 HB3 HIS 33 2HB HIS 33 10.535 1.649 0.228
269 HD1 HIS 33 1HD HIS 33 11.335 0.435 2.946
270 HD2 HIS 33 2HD HIS 33 7.368 0.950 1.669
271 HE1 HIS 33 1HE HIS 33 9.958 -1.233 4.287
272 H ASP 34 H ASP 34 11.213 5.750 2.121
273 HA ASP 34 HA ASP 34 10.015 6.969 -0.052
274 HB2 ASP 34 1HB ASP 34 10.940 9.035 0.723
275 HB3 ASP 34 2HB ASP 34 10.365 8.052 2.060
276 HA PRO 35 HA PRO 35 13.005 6.724 -3.390
277 HB2 PRO 35 1HB PRO 35 11.588 9.196 -4.375
278 HB3 PRO 35 2HB PRO 35 12.024 7.709 -5.276
279 HG2 PRO 35 1HG PRO 35 9.479 8.092 -4.442
280 HG3 PRO 35 2HG PRO 35 10.247 6.481 -4.240
281 HD2 PRO 35 1HD PRO 35 9.930 8.682 -2.172
282 HD3 PRO 35 2HD PRO 35 9.590 6.928 -2.041
283 H GLN 36 H GLN 36 14.845 7.785 -4.234
284 HA GLN 36 HA GLN 36 16.067 9.750 -2.480
285 HB2 GLN 36 1HB GLN 36 18.068 9.371 -3.752
286 HB3 GLN 36 2HB GLN 36 17.301 7.832 -3.374
287 HG2 GLN 36 1HG GLN 36 16.383 7.721 -5.697
288 HG3 GLN 36 2HG GLN 36 17.156 9.266 -6.071
289 HE21 GLN 36 1HE2 GLN 36 19.592 9.339 -5.992
290 HE22 GLN 36 2HE2 GLN 36 20.458 7.841 -6.303
291 H ASP 37 H ASP 37 14.118 10.156 -5.229
292 HA ASP 37 HA ASP 37 14.822 13.017 -5.498
293 HB2 ASP 37 1HB ASP 37 16.221 11.878 -7.173
294 HB3 ASP 37 2HB ASP 37 14.809 11.065 -7.832
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -4.139 -19.372 -16.863
2 H2 GLY 1 2H GLY 1 -4.553 -20.937 -16.614
3 H3 GLY 1 3H GLY 1 -4.426 -19.910 -15.344
4 HA2 GLY 1 1HA GLY 1 -6.429 -19.717 -17.497
5 HA3 GLY 1 2HA GLY 1 -6.745 -20.324 -15.860
6 H SER 2 H SER 2 -7.858 -17.983 -17.364
7 HA SER 2 HA SER 2 -6.879 -15.551 -16.154
8 HB2 SER 2 1HB SER 2 -9.528 -16.119 -17.534
9 HB3 SER 2 2HB SER 2 -8.846 -14.520 -17.186
10 HG SER 2 HG SER 2 -8.414 -15.208 -19.342
11 H SER 3 H SER 3 -7.990 -14.142 -14.722
12 HA SER 3 HA SER 3 -8.943 -13.569 -12.751
13 HB2 SER 3 1HB SER 3 -10.944 -13.954 -14.245
14 HB3 SER 3 2HB SER 3 -11.179 -15.500 -13.411
15 HG SER 3 HG SER 3 -12.372 -13.694 -12.510
16 H GLY 4 H GLY 4 -10.524 -15.017 -10.881
17 HA2 GLY 4 1HA GLY 4 -10.414 -16.576 -9.159
18 HA3 GLY 4 2HA GLY 4 -9.039 -17.361 -9.935
19 H SER 5 H SER 5 -8.723 -13.939 -9.380
20 HA SER 5 HA SER 5 -6.423 -14.136 -7.758
21 HB2 SER 5 1HB SER 5 -8.327 -11.779 -8.021
22 HB3 SER 5 2HB SER 5 -6.644 -11.719 -7.463
23 HG SER 5 HG SER 5 -6.838 -11.179 -9.691
24 H SER 6 H SER 6 -5.994 -13.912 -5.593
25 HA SER 6 HA SER 6 -7.934 -15.004 -3.833
26 HB2 SER 6 1HB SER 6 -5.235 -13.795 -3.144
27 HB3 SER 6 2HB SER 6 -6.163 -14.953 -2.171
28 HG SER 6 HG SER 6 -4.534 -15.988 -3.416
29 H GLY 7 H GLY 7 -7.318 -11.649 -4.458
30 HA2 GLY 7 1HA GLY 7 -9.430 -10.694 -2.865
31 HA3 GLY 7 2HA GLY 7 -7.963 -10.507 -1.901
32 H ILE 8 H ILE 8 -9.240 -8.282 -2.389
33 HA ILE 8 HA ILE 8 -8.074 -6.942 -4.782
34 HB ILE 8 HB ILE 8 -9.870 -5.322 -4.580
35 HG12 ILE 8 1HG1 ILE 8 -10.970 -7.021 -2.291
36 HG13 ILE 8 2HG1 ILE 8 -10.180 -5.454 -2.093
37 HG21 ILE 8 1HG2 ILE 8 -11.637 -6.741 -5.405
38 HG22 ILE 8 2HG2 ILE 8 -10.095 -7.419 -5.927
39 HG23 ILE 8 3HG2 ILE 8 -10.973 -8.160 -4.572
40 HD11 ILE 8 3HD1 ILE 8 -12.797 -5.969 -3.559
41 HD12 ILE 8 1HD1 ILE 8 -12.565 -5.134 -2.016
42 HD13 ILE 8 2HD1 ILE 8 -11.951 -4.402 -3.511
43 H LYS 9 H LYS 9 -7.243 -7.134 -1.608
44 HA LYS 9 HA LYS 9 -6.774 -4.381 -0.937
45 HB2 LYS 9 1HB LYS 9 -5.762 -5.116 1.002
46 HB3 LYS 9 2HB LYS 9 -6.960 -6.350 0.674
47 HG2 LYS 9 1HG LYS 9 -3.947 -6.543 0.220
48 HG3 LYS 9 2HG LYS 9 -4.868 -7.293 1.513
49 HD2 LYS 9 1HD LYS 9 -6.042 -8.735 -0.132
50 HD3 LYS 9 2HD LYS 9 -5.097 -7.991 -1.447
51 HE2 LYS 9 1HE LYS 9 -2.993 -8.711 -0.337
52 HE3 LYS 9 2HE LYS 9 -3.939 -9.503 0.931
53 HZ1 LYS 9 3HZ LYS 9 -4.028 -10.216 -1.959
54 HZ2 LYS 9 1HZ LYS 9 -4.885 -10.964 -0.777
55 HZ3 LYS 9 2HZ LYS 9 -3.258 -11.073 -0.806
56 H GLN 10 H GLN 10 -4.722 -3.358 -0.517
57 HA GLN 10 HA GLN 10 -2.724 -3.737 -2.692
58 HB2 GLN 10 1HB GLN 10 -2.970 -1.540 -0.591
59 HB3 GLN 10 2HB GLN 10 -1.750 -1.656 -1.837
60 HG2 GLN 10 1HG GLN 10 -3.328 -0.043 -2.544
61 HG3 GLN 10 2HG GLN 10 -3.455 -1.441 -3.604
62 HE21 GLN 10 1HE2 GLN 10 -4.999 -0.945 -0.326
63 HE22 GLN 10 2HE2 GLN 10 -6.627 -0.975 -0.987
64 H HIS 11 H HIS 11 -0.438 -3.862 -2.121
65 HA HIS 11 HA HIS 11 0.185 -4.441 0.689
66 HB2 HIS 11 1HB HIS 11 1.482 -6.401 0.259
67 HB3 HIS 11 2HB HIS 11 -0.151 -6.669 -0.328
68 HD1 HIS 11 1HD HIS 11 3.422 -6.048 -1.686
69 HD2 HIS 11 2HD HIS 11 -0.442 -7.172 -2.942
70 HE1 HIS 11 1HE HIS 11 3.659 -6.881 -4.086
71 H CYS 12 H CYS 12 2.316 -4.072 1.304
72 HA CYS 12 HA CYS 12 3.800 -2.013 -0.019
73 HB2 CYS 12 1HB CYS 12 3.827 -2.457 2.385
74 HB3 CYS 12 2HB CYS 12 4.589 -4.034 2.097
75 H ARG 13 H ARG 13 5.596 -2.067 -1.252
76 HA ARG 13 HA ARG 13 6.192 -4.551 -2.792
77 HB2 ARG 13 1HB ARG 13 7.047 -1.667 -3.261
78 HB3 ARG 13 2HB ARG 13 7.413 -3.038 -4.314
79 HG2 ARG 13 1HG ARG 13 4.938 -3.429 -4.591
80 HG3 ARG 13 2HG ARG 13 4.634 -1.925 -3.711
81 HD2 ARG 13 1HD ARG 13 6.248 -2.186 -6.283
82 HD3 ARG 13 2HD ARG 13 4.557 -1.665 -6.186
83 HE ARG 13 HE ARG 13 5.901 0.077 -4.491
84 HH11 ARG 13 2HH1 ARG 13 6.153 -0.659 -7.907
85 HH12 ARG 13 1HH1 ARG 13 6.745 0.932 -8.302
86 HH21 ARG 13 2HH2 ARG 13 6.659 2.099 -5.071
87 HH22 ARG 13 1HH2 ARG 13 7.017 2.440 -6.735
88 H PHE 14 H PHE 14 7.394 -3.092 -0.051
89 HA PHE 14 HA PHE 14 10.204 -4.040 -0.531
90 HB2 PHE 14 1HB PHE 14 9.232 -1.732 1.165
91 HB3 PHE 14 2HB PHE 14 10.904 -2.174 0.866
92 HD1 PHE 14 2HD PHE 14 11.938 -1.789 -1.375
93 HD2 PHE 14 1HD PHE 14 7.919 -0.500 -0.485
94 HE1 PHE 14 2HE PHE 14 11.967 -0.310 -3.372
95 HE2 PHE 14 1HE PHE 14 7.951 0.968 -2.489
96 HZ PHE 14 HZ PHE 14 9.974 1.069 -3.932
97 H CYS 15 H CYS 15 7.561 -3.958 1.844
98 HA CYS 15 HA CYS 15 8.980 -6.066 3.373
99 HB2 CYS 15 1HB CYS 15 8.553 -5.100 5.470
100 HB3 CYS 15 2HB CYS 15 9.360 -3.905 4.478
101 H LYS 16 H LYS 16 6.497 -5.660 1.506
102 HA LYS 16 HA LYS 16 4.593 -6.756 1.017
103 HB2 LYS 16 1HB LYS 16 5.966 -8.951 2.590
104 HB3 LYS 16 2HB LYS 16 4.654 -9.174 1.426
105 HG2 LYS 16 1HG LYS 16 6.069 -8.202 -0.376
106 HG3 LYS 16 2HG LYS 16 7.394 -8.001 0.776
107 HD2 LYS 16 1HD LYS 16 7.818 -9.971 -0.508
108 HD3 LYS 16 2HD LYS 16 7.445 -10.459 1.152
109 HE2 LYS 16 1HE LYS 16 5.126 -11.035 0.461
110 HE3 LYS 16 2HE LYS 16 5.474 -10.489 -1.186
111 HZ1 LYS 16 3HZ LYS 16 5.698 -12.900 -0.982
112 HZ2 LYS 16 1HZ LYS 16 6.833 -12.756 0.181
113 HZ3 LYS 16 2HZ LYS 16 7.150 -12.255 -1.342
114 H LYS 17 H LYS 17 4.438 -5.366 3.785
115 HA LYS 17 HA LYS 17 2.295 -6.711 5.174
116 HB2 LYS 17 1HB LYS 17 3.103 -3.775 5.122
117 HB3 LYS 17 2HB LYS 17 1.910 -4.487 6.227
118 HG2 LYS 17 1HG LYS 17 3.600 -5.921 7.243
119 HG3 LYS 17 2HG LYS 17 4.800 -5.433 6.037
120 HD2 LYS 17 1HD LYS 17 4.650 -3.074 6.874
121 HD3 LYS 17 2HD LYS 17 3.534 -3.618 8.131
122 HE2 LYS 17 1HE LYS 17 5.807 -3.392 9.011
123 HE3 LYS 17 2HE LYS 17 5.266 -5.069 9.099
124 HZ1 LYS 17 3HZ LYS 17 6.955 -4.043 6.871
125 HZ2 LYS 17 1HZ LYS 17 6.619 -5.596 7.204
126 HZ3 LYS 17 2HZ LYS 17 7.582 -4.752 8.222
127 H LYS 18 H LYS 18 0.120 -6.312 5.220
128 HA LYS 18 HA LYS 18 -1.132 -5.675 2.623
129 HB2 LYS 18 1HB LYS 18 -2.185 -6.779 5.251
130 HB3 LYS 18 2HB LYS 18 -3.176 -6.562 3.796
131 HG2 LYS 18 1HG LYS 18 -1.752 -8.153 2.552
132 HG3 LYS 18 2HG LYS 18 -0.712 -8.360 3.975
133 HD2 LYS 18 1HD LYS 18 -2.682 -9.199 5.267
134 HD3 LYS 18 2HD LYS 18 -3.671 -9.087 3.796
135 HE2 LYS 18 1HE LYS 18 -2.146 -10.682 2.652
136 HE3 LYS 18 2HE LYS 18 -1.126 -10.753 4.091
137 HZ1 LYS 18 3HZ LYS 18 -3.004 -11.708 5.311
138 HZ2 LYS 18 1HZ LYS 18 -2.666 -12.630 4.010
139 HZ3 LYS 18 2HZ LYS 18 -3.964 -11.639 3.991
140 H TYR 19 H TYR 19 -2.485 -4.046 2.175
141 HA TYR 19 HA TYR 19 -3.441 -2.190 4.302
142 HB2 TYR 19 1HB TYR 19 -1.785 -1.487 1.868
143 HB3 TYR 19 2HB TYR 19 -2.898 -0.324 2.580
144 HD1 TYR 19 1HD TYR 19 -2.633 0.457 4.920
145 HD2 TYR 19 2HD TYR 19 0.350 -1.990 2.982
146 HE1 TYR 19 1HE TYR 19 -1.007 1.026 6.714
147 HE2 TYR 19 2HE TYR 19 1.982 -1.407 4.782
148 HH TYR 19 HH TYR 19 1.073 0.668 7.565
149 H SER 20 H SER 20 -5.592 -2.219 4.178
150 HA SER 20 HA SER 20 -7.072 -3.049 1.874
151 HB2 SER 20 1HB SER 20 -8.047 -1.527 4.318
152 HB3 SER 20 2HB SER 20 -9.041 -2.469 3.189
153 HG SER 20 HG SER 20 -8.504 -3.665 5.081
154 H ASP 21 H ASP 21 -5.778 0.050 2.636
155 HA ASP 21 HA ASP 21 -7.532 1.425 0.639
156 HB2 ASP 21 1HB ASP 21 -8.131 2.056 2.911
157 HB3 ASP 21 2HB ASP 21 -6.445 2.408 3.297
158 H VAL 22 H VAL 22 -6.538 2.504 -0.956
159 HA VAL 22 HA VAL 22 -3.816 1.938 -1.514
160 HB VAL 22 HB VAL 22 -5.571 2.290 -3.194
161 HG11 VAL 22 1HG1 VAL 22 -6.240 4.449 -4.007
162 HG12 VAL 22 2HG1 VAL 22 -6.636 4.370 -2.286
163 HG13 VAL 22 3HG1 VAL 22 -5.218 5.291 -2.836
164 HG21 VAL 22 3HG2 VAL 22 -3.179 2.313 -3.816
165 HG22 VAL 22 1HG2 VAL 22 -4.170 3.320 -4.885
166 HG23 VAL 22 2HG2 VAL 22 -3.158 4.081 -3.643
167 H LYS 23 H LYS 23 -5.274 4.963 -0.310
168 HA LYS 23 HA LYS 23 -2.791 6.386 -0.598
169 HB2 LYS 23 1HB LYS 23 -3.900 8.199 0.714
170 HB3 LYS 23 2HB LYS 23 -4.762 7.657 -0.728
171 HG2 LYS 23 1HG LYS 23 -6.281 6.295 0.661
172 HG3 LYS 23 2HG LYS 23 -5.431 6.847 2.127
173 HD2 LYS 23 1HD LYS 23 -6.155 9.136 1.722
174 HD3 LYS 23 2HD LYS 23 -6.772 8.699 0.119
175 HE2 LYS 23 1HE LYS 23 -8.594 8.969 1.769
176 HE3 LYS 23 2HE LYS 23 -8.542 7.359 1.042
177 HZ1 LYS 23 3HZ LYS 23 -8.883 7.297 3.462
178 HZ2 LYS 23 1HZ LYS 23 -7.420 7.977 3.719
179 HZ3 LYS 23 2HZ LYS 23 -7.540 6.487 3.020
180 H ASN 24 H ASN 24 -4.180 4.555 2.076
181 HA ASN 24 HA ASN 24 -2.098 5.240 3.987
182 HB2 ASN 24 1HB ASN 24 -4.152 3.010 3.835
183 HB3 ASN 24 2HB ASN 24 -2.945 3.100 5.114
184 HD21 ASN 24 1HD2 ASN 24 -5.572 3.158 5.857
185 HD22 ASN 24 2HD2 ASN 24 -5.953 4.773 6.430
186 H LEU 25 H LEU 25 -2.359 2.631 1.510
187 HA LEU 25 HA LEU 25 0.179 1.419 2.114
188 HB2 LEU 25 1HB LEU 25 -1.305 0.325 0.582
189 HB3 LEU 25 2HB LEU 25 -1.405 1.701 -0.474
190 HG LEU 25 HG LEU 25 -0.025 -0.190 -1.334
191 HD11 LEU 25 1HD1 LEU 25 1.499 0.935 -2.502
192 HD12 LEU 25 2HD1 LEU 25 1.638 2.229 -1.307
193 HD13 LEU 25 3HD1 LEU 25 0.143 2.022 -2.252
194 HD21 LEU 25 3HD2 LEU 25 0.985 -0.868 0.794
195 HD22 LEU 25 1HD2 LEU 25 2.064 0.537 0.688
196 HD23 LEU 25 2HD2 LEU 25 2.104 -0.719 -0.562
197 H ILE 26 H ILE 26 -0.637 4.090 -0.184
198 HA ILE 26 HA ILE 26 2.040 4.421 -0.928
199 HB ILE 26 HB ILE 26 -0.309 6.333 -1.147
200 HG12 ILE 26 1HG1 ILE 26 1.201 4.559 -3.137
201 HG13 ILE 26 2HG1 ILE 26 -0.366 4.198 -2.425
202 HG21 ILE 26 1HG2 ILE 26 1.725 7.734 -1.140
203 HG22 ILE 26 2HG2 ILE 26 2.479 6.671 -2.353
204 HG23 ILE 26 3HG2 ILE 26 1.055 7.661 -2.754
205 HD11 ILE 26 3HD1 ILE 26 0.230 6.393 -4.416
206 HD12 ILE 26 1HD1 ILE 26 -0.747 4.939 -4.637
207 HD13 ILE 26 2HD1 ILE 26 -1.321 6.220 -3.546
208 H LYS 27 H LYS 27 0.235 6.101 1.663
209 HA LYS 27 HA LYS 27 2.280 7.810 2.689
210 HB2 LYS 27 1HB LYS 27 -0.028 6.308 3.972
211 HB3 LYS 27 2HB LYS 27 1.045 7.339 4.917
212 HG2 LYS 27 1HG LYS 27 0.379 9.313 3.823
213 HG3 LYS 27 2HG LYS 27 -0.315 8.455 2.449
214 HD2 LYS 27 1HD LYS 27 -2.065 9.398 3.895
215 HD3 LYS 27 2HD LYS 27 -2.170 7.643 3.788
216 HE2 LYS 27 1HE LYS 27 -0.970 7.477 6.001
217 HE3 LYS 27 2HE LYS 27 -1.031 9.243 6.117
218 HZ1 LYS 27 3HZ LYS 27 -3.400 7.443 5.923
219 HZ2 LYS 27 1HZ LYS 27 -3.471 9.078 6.039
220 HZ3 LYS 27 2HZ LYS 27 -2.894 8.196 7.284
221 H HIS 28 H HIS 28 1.674 4.331 3.464
222 HA HIS 28 HA HIS 28 3.858 4.051 5.286
223 HB2 HIS 28 1HB HIS 28 2.172 2.376 5.232
224 HB3 HIS 28 2HB HIS 28 2.373 2.080 3.515
225 HD1 HIS 28 1HD HIS 28 4.096 1.265 6.833
226 HD2 HIS 28 2HD HIS 28 4.284 0.425 2.721
227 HE1 HIS 28 1HE HIS 28 5.759 -0.635 6.598
228 H ILE 29 H ILE 29 3.783 3.537 1.710
229 HA ILE 29 HA ILE 29 6.553 2.799 1.525
230 HB ILE 29 HB ILE 29 4.682 3.962 -0.553
231 HG12 ILE 29 1HG1 ILE 29 5.591 1.085 -0.059
232 HG13 ILE 29 2HG1 ILE 29 4.030 1.748 0.395
233 HG21 ILE 29 1HG2 ILE 29 7.007 4.395 -1.254
234 HG22 ILE 29 2HG2 ILE 29 7.434 2.702 -0.930
235 HG23 ILE 29 3HG2 ILE 29 6.316 3.127 -2.245
236 HD11 ILE 29 3HD1 ILE 29 5.049 1.174 -2.391
237 HD12 ILE 29 1HD1 ILE 29 3.559 0.617 -1.598
238 HD13 ILE 29 2HD1 ILE 29 3.704 2.305 -2.118
239 H ARG 30 H ARG 30 4.995 6.014 1.184
240 HA ARG 30 HA ARG 30 7.442 7.455 0.689
241 HB2 ARG 30 1HB ARG 30 4.707 8.301 1.723
242 HB3 ARG 30 2HB ARG 30 6.022 9.446 1.423
243 HG2 ARG 30 1HG ARG 30 6.141 8.801 -0.934
244 HG3 ARG 30 2HG ARG 30 4.882 7.577 -0.704
245 HD2 ARG 30 1HD ARG 30 3.280 9.338 -0.036
246 HD3 ARG 30 2HD ARG 30 4.536 10.573 -0.268
247 HE ARG 30 HE ARG 30 4.371 9.133 -2.682
248 HH11 ARG 30 2HH1 ARG 30 2.251 11.259 -0.877
249 HH12 ARG 30 1HH1 ARG 30 1.392 11.764 -2.306
250 HH21 ARG 30 2HH2 ARG 30 3.239 9.829 -4.465
251 HH22 ARG 30 1HH2 ARG 30 1.945 10.975 -4.282
252 H ASP 31 H ASP 31 5.920 6.515 3.749
253 HA ASP 31 HA ASP 31 7.751 8.162 5.321
254 HB2 ASP 31 1HB ASP 31 5.385 7.683 5.936
255 HB3 ASP 31 2HB ASP 31 5.821 5.993 6.207
256 H MET 32 H MET 32 7.633 4.720 4.404
257 HA MET 32 HA MET 32 9.957 4.136 6.189
258 HB2 MET 32 1HB MET 32 7.904 2.314 4.884
259 HB3 MET 32 2HB MET 32 9.211 1.779 5.922
260 HG2 MET 32 1HG MET 32 6.957 3.643 6.753
261 HG3 MET 32 2HG MET 32 7.051 1.926 7.106
262 HE1 MET 32 3HE MET 32 8.658 0.797 8.820
263 HE2 MET 32 1HE MET 32 10.112 1.435 8.015
264 HE3 MET 32 2HE MET 32 9.897 1.655 9.760
265 H HIS 33 H HIS 33 9.200 4.141 2.725
266 HA HIS 33 HA HIS 33 11.775 2.705 2.187
267 HB2 HIS 33 1HB HIS 33 9.168 2.294 0.707
268 HB3 HIS 33 2HB HIS 33 10.656 1.366 0.541
269 HD1 HIS 33 1HD HIS 33 11.305 0.299 3.312
270 HD2 HIS 33 2HD HIS 33 7.392 0.906 1.909
271 HE1 HIS 33 1HE HIS 33 9.828 -1.230 4.710
272 H ASP 34 H ASP 34 10.558 5.676 1.739
273 HA ASP 34 HA ASP 34 10.595 6.239 -0.994
274 HB2 ASP 34 1HB ASP 34 9.766 7.714 0.736
275 HB3 ASP 34 2HB ASP 34 11.395 7.971 1.363
276 HA PRO 35 HA PRO 35 14.962 5.354 -1.584
277 HB2 PRO 35 1HB PRO 35 15.068 5.004 -4.262
278 HB3 PRO 35 2HB PRO 35 14.105 3.939 -3.200
279 HG2 PRO 35 1HG PRO 35 13.111 6.352 -4.763
280 HG3 PRO 35 2HG PRO 35 12.451 4.683 -4.774
281 HD2 PRO 35 1HD PRO 35 11.428 6.634 -3.162
282 HD3 PRO 35 2HD PRO 35 11.520 4.932 -2.638
283 H GLN 36 H GLN 36 15.071 7.752 -0.721
284 HA GLN 36 HA GLN 36 17.132 9.008 -2.310
285 HB2 GLN 36 1HB GLN 36 16.175 11.291 -2.188
286 HB3 GLN 36 2HB GLN 36 15.306 10.220 -3.287
287 HG2 GLN 36 1HG GLN 36 13.543 9.872 -1.592
288 HG3 GLN 36 2HG GLN 36 14.392 10.930 -0.463
289 HE21 GLN 36 1HE2 GLN 36 11.784 11.453 -1.087
290 HE22 GLN 36 2HE2 GLN 36 11.703 12.924 -2.080
291 H ASP 37 H ASP 37 18.491 10.238 -1.121
292 HA ASP 37 HA ASP 37 18.122 10.659 1.793
293 HB2 ASP 37 1HB ASP 37 19.120 8.421 1.591
294 HB3 ASP 37 2HB ASP 37 20.410 9.059 0.580