Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588707 | 2ruv RC | 11486 | 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 22.012 8.662 -9.594
2 H2 GLY 1 2H GLY 1 21.377 9.820 -10.564
3 H3 GLY 1 3H GLY 1 21.028 8.241 -10.833
4 HA2 GLY 1 1HA GLY 1 20.220 9.786 -8.457
5 HA3 GLY 1 2HA GLY 1 19.151 9.349 -9.801
6 H SER 2 H SER 2 18.731 8.670 -7.056
7 HA SER 2 HA SER 2 19.508 5.991 -6.426
8 HB2 SER 2 1HB SER 2 17.142 7.603 -5.402
9 HB3 SER 2 2HB SER 2 17.829 6.150 -4.651
10 HG SER 2 HG SER 2 18.636 8.083 -3.699
11 H SER 3 H SER 3 18.274 4.063 -6.315
12 HA SER 3 HA SER 3 16.565 3.530 -8.595
13 HB2 SER 3 1HB SER 3 16.548 1.223 -7.671
14 HB3 SER 3 2HB SER 3 18.175 1.894 -7.878
15 HG SER 3 HG SER 3 17.900 0.856 -5.835
16 H GLY 4 H GLY 4 15.843 4.662 -5.456
17 HA2 GLY 4 1HA GLY 4 12.966 4.550 -5.988
18 HA3 GLY 4 2HA GLY 4 13.482 3.680 -4.539
19 H SER 5 H SER 5 11.733 5.821 -4.396
20 HA SER 5 HA SER 5 13.147 7.787 -2.733
21 HB2 SER 5 1HB SER 5 12.378 9.730 -4.006
22 HB3 SER 5 2HB SER 5 13.422 8.716 -5.010
23 HG SER 5 HG SER 5 11.578 9.347 -6.163
24 H SER 6 H SER 6 11.708 9.163 -1.506
25 HA SER 6 HA SER 6 9.029 8.080 -0.997
26 HB2 SER 6 1HB SER 6 10.363 10.583 0.095
27 HB3 SER 6 2HB SER 6 8.865 9.838 0.685
28 HG SER 6 HG SER 6 10.706 9.212 1.922
29 H GLY 7 H GLY 7 10.342 11.102 -2.446
30 HA2 GLY 7 1HA GLY 7 9.367 12.742 -3.751
31 HA3 GLY 7 2HA GLY 7 8.434 11.419 -4.449
32 H GLU 8 H GLU 8 6.397 12.084 -4.584
33 HA GLU 8 HA GLU 8 5.003 13.130 -2.156
34 HB2 GLU 8 1HB GLU 8 5.180 14.590 -4.293
35 HB3 GLU 8 2HB GLU 8 3.978 13.496 -4.978
36 HG2 GLU 8 1HG GLU 8 2.415 14.096 -3.119
37 HG3 GLU 8 2HG GLU 8 3.675 15.082 -2.380
38 H LYS 9 H LYS 9 5.679 10.323 -2.897
39 HA LYS 9 HA LYS 9 3.117 9.025 -3.611
40 HB2 LYS 9 1HB LYS 9 5.904 7.950 -3.031
41 HB3 LYS 9 2HB LYS 9 4.531 6.932 -3.423
42 HG2 LYS 9 1HG LYS 9 4.298 7.818 -5.610
43 HG3 LYS 9 2HG LYS 9 5.372 9.179 -5.302
44 HD2 LYS 9 1HD LYS 9 6.320 6.284 -5.269
45 HD3 LYS 9 2HD LYS 9 6.322 7.313 -6.713
46 HE2 LYS 9 1HE LYS 9 7.719 8.997 -5.496
47 HE3 LYS 9 2HE LYS 9 7.810 7.901 -4.111
48 HZ1 LYS 9 3HZ LYS 9 8.935 6.294 -5.519
49 HZ2 LYS 9 1HZ LYS 9 9.749 7.709 -5.572
50 HZ3 LYS 9 2HZ LYS 9 8.814 7.266 -6.838
51 H PHE 10 H PHE 10 2.206 7.344 -2.351
52 HA PHE 10 HA PHE 10 2.144 7.888 0.557
53 HB2 PHE 10 1HB PHE 10 0.481 5.945 -1.079
54 HB3 PHE 10 2HB PHE 10 0.196 6.473 0.577
55 HD1 PHE 10 1HD PHE 10 -0.198 9.029 0.980
56 HD2 PHE 10 2HD PHE 10 -0.548 7.114 -2.866
57 HE1 PHE 10 1HE PHE 10 -1.592 10.920 0.163
58 HE2 PHE 10 2HE PHE 10 -1.955 9.000 -3.674
59 HZ PHE 10 HZ PHE 10 -2.488 10.895 -2.157
60 H ALA 11 H ALA 11 2.330 6.105 2.092
61 HA ALA 11 HA ALA 11 4.146 3.908 1.211
62 HB1 ALA 11 1HB ALA 11 5.447 5.801 2.154
63 HB2 ALA 11 2HB ALA 11 4.500 5.688 3.654
64 HB3 ALA 11 3HB ALA 11 5.548 4.341 3.160
65 H CYS 12 H CYS 12 4.103 2.015 2.340
66 HA CYS 12 HA CYS 12 1.676 1.232 3.682
67 HB2 CYS 12 1HB CYS 12 2.970 -0.192 2.196
68 HB3 CYS 12 2HB CYS 12 4.346 -0.139 3.307
69 H ASP 13 H ASP 13 1.339 0.628 5.763
70 HA ASP 13 HA ASP 13 2.911 2.033 7.845
71 HB2 ASP 13 1HB ASP 13 0.406 2.217 7.661
72 HB3 ASP 13 2HB ASP 13 0.294 0.509 8.079
73 H TYR 14 H TYR 14 2.867 -1.044 6.445
74 HA TYR 14 HA TYR 14 3.775 -2.445 8.940
75 HB2 TYR 14 1HB TYR 14 2.447 -3.596 6.486
76 HB3 TYR 14 2HB TYR 14 2.808 -4.446 7.974
77 HD1 TYR 14 2HD TYR 14 1.438 -4.062 10.015
78 HD2 TYR 14 1HD TYR 14 0.509 -2.140 6.265
79 HE1 TYR 14 2HE TYR 14 -0.849 -3.534 10.850
80 HE2 TYR 14 1HE TYR 14 -1.777 -1.606 7.108
81 HH TYR 14 HH TYR 14 -2.871 -2.562 10.383
82 H CYS 15 H CYS 15 4.686 -1.713 5.618
83 HA CYS 15 HA CYS 15 7.289 -3.015 6.004
84 HB2 CYS 15 1HB CYS 15 7.207 -4.374 4.054
85 HB3 CYS 15 2HB CYS 15 5.814 -4.778 5.043
86 H SER 16 H SER 16 8.560 -2.679 3.758
87 HA SER 16 HA SER 16 8.765 0.226 3.552
88 HB2 SER 16 1HB SER 16 10.582 -1.910 2.386
89 HB3 SER 16 2HB SER 16 10.943 -0.179 2.530
90 HG SER 16 HG SER 16 11.864 -1.407 4.242
91 H PHE 17 H PHE 17 6.534 -0.961 2.187
92 HA PHE 17 HA PHE 17 7.043 -0.637 -0.706
93 HB2 PHE 17 1HB PHE 17 5.603 -2.443 0.023
94 HB3 PHE 17 2HB PHE 17 4.557 -1.320 0.883
95 HD1 PHE 17 2HD PHE 17 5.768 -2.258 -2.535
96 HD2 PHE 17 1HD PHE 17 2.732 -0.241 -0.224
97 HE1 PHE 17 2HE PHE 17 4.404 -1.944 -4.589
98 HE2 PHE 17 1HE PHE 17 1.368 0.053 -2.275
99 HZ PHE 17 HZ PHE 17 2.213 -0.778 -4.461
100 H THR 18 H THR 18 6.313 0.991 -2.013
101 HA THR 18 HA THR 18 4.663 3.174 -0.907
102 HB THR 18 HB THR 18 6.037 4.902 -2.011
103 HG1 THR 18 1HG THR 18 8.178 4.346 -2.579
104 HG21 THR 18 3HG2 THR 18 6.380 4.424 0.411
105 HG22 THR 18 1HG2 THR 18 7.826 5.057 -0.388
106 HG23 THR 18 2HG2 THR 18 7.707 3.323 -0.010
107 H CYS 19 H CYS 19 3.435 4.330 -2.410
108 HA CYS 19 HA CYS 19 3.533 3.643 -5.261
109 HB2 CYS 19 1HB CYS 19 1.189 2.801 -5.314
110 HB3 CYS 19 2HB CYS 19 2.280 1.757 -4.403
111 HG CYS 19 HG CYS 19 0.024 3.946 -3.309
112 H LEU 20 H LEU 20 2.264 4.996 -6.610
113 HA LEU 20 HA LEU 20 1.997 7.685 -5.560
114 HB2 LEU 20 1HB LEU 20 3.004 7.039 -7.756
115 HB3 LEU 20 2HB LEU 20 1.409 6.549 -8.320
116 HG LEU 20 HG LEU 20 0.620 8.895 -8.164
117 HD11 LEU 20 1HD1 LEU 20 3.493 9.528 -7.340
118 HD12 LEU 20 2HD1 LEU 20 2.039 9.765 -6.340
119 HD13 LEU 20 3HD1 LEU 20 2.264 10.723 -7.803
120 HD21 LEU 20 3HD2 LEU 20 3.239 8.597 -9.685
121 HD22 LEU 20 1HD2 LEU 20 1.956 9.785 -10.011
122 HD23 LEU 20 2HD2 LEU 20 1.638 8.059 -10.244
123 H SER 21 H SER 21 -0.254 5.125 -5.853
124 HA SER 21 HA SER 21 -2.604 6.977 -5.739
125 HB2 SER 21 1HB SER 21 -2.780 5.561 -7.629
126 HB3 SER 21 2HB SER 21 -2.350 4.121 -6.691
127 HG SER 21 HG SER 21 -4.677 4.518 -7.132
128 H LYS 22 H LYS 22 -3.866 7.039 -4.017
129 HA LYS 22 HA LYS 22 -3.301 5.590 -1.569
130 HB2 LYS 22 1HB LYS 22 -4.278 7.885 -1.664
131 HB3 LYS 22 2HB LYS 22 -5.720 7.242 -2.433
132 HG2 LYS 22 1HG LYS 22 -6.128 7.674 -0.073
133 HG3 LYS 22 2HG LYS 22 -6.299 5.967 -0.428
134 HD2 LYS 22 1HD LYS 22 -5.156 6.304 1.716
135 HD3 LYS 22 2HD LYS 22 -4.118 5.476 0.572
136 HE2 LYS 22 1HE LYS 22 -2.780 7.083 1.747
137 HE3 LYS 22 2HE LYS 22 -2.946 7.642 0.083
138 HZ1 LYS 22 3HZ LYS 22 -4.663 9.201 0.855
139 HZ2 LYS 22 1HZ LYS 22 -3.293 9.436 1.705
140 HZ3 LYS 22 2HZ LYS 22 -4.542 8.647 2.389
141 H GLY 23 H GLY 23 -5.464 5.047 -4.303
142 HA2 GLY 23 1HA GLY 23 -7.048 2.901 -3.183
143 HA3 GLY 23 2HA GLY 23 -6.746 3.224 -4.899
144 H HIS 24 H HIS 24 -3.915 2.994 -4.969
145 HA HIS 24 HA HIS 24 -3.549 0.140 -4.968
146 HB2 HIS 24 1HB HIS 24 -2.412 1.818 -6.457
147 HB3 HIS 24 2HB HIS 24 -1.380 2.260 -5.096
148 HD1 HIS 24 1HD HIS 24 -1.212 -1.098 -4.328
149 HD2 HIS 24 2HD HIS 24 -0.221 1.018 -7.826
150 HE1 HIS 24 1HE HIS 24 0.420 -2.580 -5.623
151 H LEU 25 H LEU 25 -2.572 2.669 -2.593
152 HA LEU 25 HA LEU 25 -1.197 0.887 -0.832
153 HB2 LEU 25 1HB LEU 25 -0.973 3.318 -0.677
154 HB3 LEU 25 2HB LEU 25 -2.680 3.487 -0.279
155 HG LEU 25 HG LEU 25 -2.353 2.326 1.858
156 HD11 LEU 25 1HD1 LEU 25 0.589 2.161 1.056
157 HD12 LEU 25 2HD1 LEU 25 -0.507 0.784 1.320
158 HD13 LEU 25 3HD1 LEU 25 -0.077 1.827 2.670
159 HD21 LEU 25 3HD2 LEU 25 -1.976 4.785 1.696
160 HD22 LEU 25 1HD2 LEU 25 -0.238 4.466 1.468
161 HD23 LEU 25 2HD2 LEU 25 -1.036 4.017 2.985
162 H LYS 26 H LYS 26 -4.660 1.876 -0.895
163 HA LYS 26 HA LYS 26 -5.522 0.273 1.318
164 HB2 LYS 26 1HB LYS 26 -6.951 1.298 -1.165
165 HB3 LYS 26 2HB LYS 26 -7.777 0.367 0.092
166 HG2 LYS 26 1HG LYS 26 -7.247 2.010 1.787
167 HG3 LYS 26 2HG LYS 26 -6.247 2.943 0.665
168 HD2 LYS 26 1HD LYS 26 -8.206 3.397 -0.757
169 HD3 LYS 26 2HD LYS 26 -9.246 2.456 0.318
170 HE2 LYS 26 1HE LYS 26 -7.673 4.937 1.160
171 HE3 LYS 26 2HE LYS 26 -9.347 4.973 0.599
172 HZ1 LYS 26 3HZ LYS 26 -8.407 3.518 3.014
173 HZ2 LYS 26 1HZ LYS 26 -9.948 3.527 2.465
174 HZ3 LYS 26 2HZ LYS 26 -9.266 4.903 3.008
175 H VAL 27 H VAL 27 -5.374 -0.590 -2.165
176 HA VAL 27 HA VAL 27 -6.240 -3.305 -1.822
177 HB VAL 27 HB VAL 27 -4.602 -1.948 -3.988
178 HG11 VAL 27 1HG1 VAL 27 -4.021 -4.332 -4.112
179 HG12 VAL 27 2HG1 VAL 27 -5.743 -4.776 -4.000
180 HG13 VAL 27 3HG1 VAL 27 -5.122 -3.912 -5.424
181 HG21 VAL 27 3HG2 VAL 27 -6.694 -2.103 -5.261
182 HG22 VAL 27 1HG2 VAL 27 -7.479 -2.984 -3.932
183 HG23 VAL 27 2HG2 VAL 27 -7.022 -1.287 -3.730
184 H HIS 28 H HIS 28 -2.919 -1.912 -1.699
185 HA HIS 28 HA HIS 28 -1.536 -4.380 -1.350
186 HB2 HIS 28 1HB HIS 28 -0.370 -2.325 -1.882
187 HB3 HIS 28 2HB HIS 28 -0.915 -1.557 -0.396
188 HD1 HIS 28 1HD HIS 28 1.517 -4.331 -1.526
189 HD2 HIS 28 2HD HIS 28 0.547 -1.900 1.763
190 HE1 HIS 28 1HE HIS 28 3.348 -4.723 0.186
191 H ILE 29 H ILE 29 -2.791 -2.118 1.188
192 HA ILE 29 HA ILE 29 -2.083 -3.812 3.387
193 HB ILE 29 HB ILE 29 -4.154 -1.608 3.118
194 HG12 ILE 29 1HG1 ILE 29 -1.417 -1.660 4.490
195 HG13 ILE 29 2HG1 ILE 29 -1.679 -1.055 2.861
196 HG21 ILE 29 1HG2 ILE 29 -3.220 -3.053 5.647
197 HG22 ILE 29 2HG2 ILE 29 -4.212 -1.580 5.622
198 HG23 ILE 29 3HG2 ILE 29 -4.864 -3.069 4.974
199 HD11 ILE 29 3HD1 ILE 29 -1.581 0.819 4.347
200 HD12 ILE 29 1HD1 ILE 29 -3.246 0.671 3.747
201 HD13 ILE 29 2HD1 ILE 29 -2.830 0.151 5.400
202 H GLU 30 H GLU 30 -5.179 -3.561 1.593
203 HA GLU 30 HA GLU 30 -6.625 -5.411 3.173
204 HB2 GLU 30 1HB GLU 30 -7.524 -3.650 1.702
205 HB3 GLU 30 2HB GLU 30 -7.041 -4.580 0.278
206 HG2 GLU 30 1HG GLU 30 -8.653 -6.316 0.810
207 HG3 GLU 30 2HG GLU 30 -8.976 -5.602 2.396
208 H ARG 31 H ARG 31 -4.177 -6.162 0.851
209 HA ARG 31 HA ARG 31 -5.148 -9.006 0.659
210 HB2 ARG 31 1HB ARG 31 -3.545 -7.365 -1.344
211 HB3 ARG 31 2HB ARG 31 -3.890 -9.091 -1.487
212 HG2 ARG 31 1HG ARG 31 -6.335 -8.616 -1.520
213 HG3 ARG 31 2HG ARG 31 -6.001 -6.887 -1.384
214 HD2 ARG 31 1HD ARG 31 -6.434 -7.328 -3.678
215 HD3 ARG 31 2HD ARG 31 -4.699 -7.000 -3.518
216 HE ARG 31 HE ARG 31 -5.207 -9.831 -3.338
217 HH11 ARG 31 2HH1 ARG 31 -5.139 -7.315 -5.777
218 HH12 ARG 31 1HH1 ARG 31 -4.773 -8.440 -7.056
219 HH21 ARG 31 2HH2 ARG 31 -4.730 -11.209 -5.018
220 HH22 ARG 31 1HH2 ARG 31 -4.552 -10.585 -6.630
221 H VAL 32 H VAL 32 -2.379 -6.997 1.458
222 HA VAL 32 HA VAL 32 -0.652 -9.407 1.674
223 HB VAL 32 HB VAL 32 0.096 -6.471 1.775
224 HG11 VAL 32 1HG1 VAL 32 1.778 -7.873 2.900
225 HG12 VAL 32 2HG1 VAL 32 1.823 -8.969 1.502
226 HG13 VAL 32 3HG1 VAL 32 2.394 -7.292 1.353
227 HG21 VAL 32 3HG2 VAL 32 -0.749 -7.079 -0.472
228 HG22 VAL 32 1HG2 VAL 32 1.001 -6.875 -0.515
229 HG23 VAL 32 2HG2 VAL 32 0.304 -8.510 -0.493
230 H HIS 33 H HIS 33 -1.865 -6.747 3.728
231 HA HIS 33 HA HIS 33 -0.575 -8.033 6.109
232 HB2 HIS 33 1HB HIS 33 -1.492 -5.169 5.716
233 HB3 HIS 33 2HB HIS 33 -0.643 -5.822 7.121
234 HD1 HIS 33 1HD HIS 33 1.863 -7.126 6.203
235 HD2 HIS 33 2HD HIS 33 0.095 -3.990 4.040
236 HE1 HIS 33 1HE HIS 33 3.690 -6.215 4.695
237 H LYS 34 H LYS 34 -3.617 -7.072 4.777
238 HA LYS 34 HA LYS 34 -5.113 -8.482 6.943
239 HB2 LYS 34 1HB LYS 34 -5.405 -5.961 6.877
240 HB3 LYS 34 2HB LYS 34 -6.079 -6.124 5.257
241 HG2 LYS 34 1HG LYS 34 -7.979 -7.403 6.143
242 HG3 LYS 34 2HG LYS 34 -7.233 -7.446 7.755
243 HD2 LYS 34 1HD LYS 34 -7.410 -4.974 7.888
244 HD3 LYS 34 2HD LYS 34 -8.132 -4.936 6.264
245 HE2 LYS 34 1HE LYS 34 -10.011 -6.352 7.070
246 HE3 LYS 34 2HE LYS 34 -9.289 -6.399 8.683
247 HZ1 LYS 34 3HZ LYS 34 -10.239 -3.934 7.316
248 HZ2 LYS 34 1HZ LYS 34 -9.569 -3.979 8.808
249 HZ3 LYS 34 2HZ LYS 34 -11.010 -4.694 8.536
250 H LYS 35 H LYS 35 -7.309 -9.248 5.872
251 HA LYS 35 HA LYS 35 -7.013 -10.013 3.029
252 HB2 LYS 35 1HB LYS 35 -6.401 -11.873 5.051
253 HB3 LYS 35 2HB LYS 35 -8.083 -12.223 4.693
254 HG2 LYS 35 1HG LYS 35 -6.794 -13.626 3.286
255 HG3 LYS 35 2HG LYS 35 -7.423 -12.362 2.221
256 HD2 LYS 35 1HD LYS 35 -5.223 -11.179 2.353
257 HD3 LYS 35 2HD LYS 35 -4.628 -12.426 3.466
258 HE2 LYS 35 1HE LYS 35 -5.027 -14.140 1.666
259 HE3 LYS 35 2HE LYS 35 -5.504 -12.833 0.573
260 HZ1 LYS 35 3HZ LYS 35 -3.178 -13.349 0.247
261 HZ2 LYS 35 1HZ LYS 35 -2.833 -13.160 1.832
262 HZ3 LYS 35 2HZ LYS 35 -3.258 -11.861 0.937
263 H ILE 36 H ILE 36 -8.961 -10.672 2.001
264 HA ILE 36 HA ILE 36 -11.311 -9.199 2.927
265 HB ILE 36 HB ILE 36 -10.979 -10.978 0.473
266 HG12 ILE 36 1HG1 ILE 36 -11.112 -8.563 -0.628
267 HG13 ILE 36 2HG1 ILE 36 -10.501 -8.011 0.923
268 HG21 ILE 36 1HG2 ILE 36 -13.135 -8.945 1.212
269 HG22 ILE 36 2HG2 ILE 36 -12.995 -9.781 -0.349
270 HG23 ILE 36 3HG2 ILE 36 -13.346 -10.711 1.098
271 HD11 ILE 36 3HD1 ILE 36 -8.749 -8.345 -0.820
272 HD12 ILE 36 1HD1 ILE 36 -8.448 -9.385 0.574
273 HD13 ILE 36 2HD1 ILE 36 -9.159 -10.067 -0.906
274 H LYS 37 H LYS 37 -13.105 -9.992 3.871
275 HA LYS 37 HA LYS 37 -13.674 -12.887 4.030
276 HB2 LYS 37 1HB LYS 37 -12.215 -12.344 5.986
277 HB3 LYS 37 2HB LYS 37 -13.402 -11.143 6.517
278 HG2 LYS 37 1HG LYS 37 -15.104 -12.930 6.768
279 HG3 LYS 37 2HG LYS 37 -13.944 -14.129 6.162
280 HD2 LYS 37 1HD LYS 37 -12.458 -13.666 8.095
281 HD3 LYS 37 2HD LYS 37 -13.618 -12.460 8.698
282 HE2 LYS 37 1HE LYS 37 -15.360 -14.226 8.867
283 HE3 LYS 37 2HE LYS 37 -14.208 -15.426 8.264
284 HZ1 LYS 37 3HZ LYS 37 -14.338 -15.463 10.687
285 HZ2 LYS 37 1HZ LYS 37 -13.904 -13.895 10.795
286 HZ3 LYS 37 2HZ LYS 37 -12.839 -15.004 10.238
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 22.707 16.949 -7.418
2 H2 GLY 1 2H GLY 1 23.108 16.570 -8.962
3 H3 GLY 1 3H GLY 1 23.293 15.461 -7.767
4 HA2 GLY 1 1HA GLY 1 20.717 16.542 -8.704
5 HA3 GLY 1 2HA GLY 1 21.356 14.937 -9.101
6 H SER 2 H SER 2 18.859 15.392 -7.857
7 HA SER 2 HA SER 2 19.161 13.821 -5.371
8 HB2 SER 2 1HB SER 2 17.652 15.308 -4.116
9 HB3 SER 2 2HB SER 2 19.162 16.117 -4.557
10 HG SER 2 HG SER 2 17.338 17.446 -4.953
11 H SER 3 H SER 3 17.062 12.983 -4.580
12 HA SER 3 HA SER 3 14.815 12.914 -6.471
13 HB2 SER 3 1HB SER 3 14.736 10.465 -6.587
14 HB3 SER 3 2HB SER 3 16.194 11.110 -7.347
15 HG SER 3 HG SER 3 17.388 10.512 -5.530
16 H GLY 4 H GLY 4 12.892 11.960 -5.605
17 HA2 GLY 4 1HA GLY 4 11.370 11.331 -3.993
18 HA3 GLY 4 2HA GLY 4 12.684 11.113 -2.840
19 H SER 5 H SER 5 13.429 14.114 -3.449
20 HA SER 5 HA SER 5 12.211 15.315 -1.222
21 HB2 SER 5 1HB SER 5 13.378 16.690 -3.672
22 HB3 SER 5 2HB SER 5 13.104 17.430 -2.083
23 HG SER 5 HG SER 5 15.268 16.724 -2.316
24 H SER 6 H SER 6 10.351 16.344 -0.846
25 HA SER 6 HA SER 6 8.187 16.943 -1.049
26 HB2 SER 6 1HB SER 6 9.117 18.359 -3.562
27 HB3 SER 6 2HB SER 6 7.657 18.720 -2.623
28 HG SER 6 HG SER 6 9.413 20.098 -2.069
29 H GLY 7 H GLY 7 8.798 14.337 -2.271
30 HA2 GLY 7 1HA GLY 7 7.291 13.906 -4.650
31 HA3 GLY 7 2HA GLY 7 7.771 12.674 -3.489
32 H GLU 8 H GLU 8 5.344 12.815 -5.000
33 HA GLU 8 HA GLU 8 3.203 13.426 -3.030
34 HB2 GLU 8 1HB GLU 8 1.702 13.475 -4.884
35 HB3 GLU 8 2HB GLU 8 3.067 14.526 -5.205
36 HG2 GLU 8 1HG GLU 8 2.901 11.694 -6.333
37 HG3 GLU 8 2HG GLU 8 2.141 13.068 -7.117
38 H LYS 9 H LYS 9 4.956 10.760 -3.620
39 HA LYS 9 HA LYS 9 2.982 8.689 -3.995
40 HB2 LYS 9 1HB LYS 9 5.846 8.658 -2.968
41 HB3 LYS 9 2HB LYS 9 4.862 7.202 -3.144
42 HG2 LYS 9 1HG LYS 9 4.598 7.589 -5.549
43 HG3 LYS 9 2HG LYS 9 5.475 9.120 -5.436
44 HD2 LYS 9 1HD LYS 9 6.916 7.350 -6.331
45 HD3 LYS 9 2HD LYS 9 7.528 7.953 -4.784
46 HE2 LYS 9 1HE LYS 9 6.501 6.009 -3.625
47 HE3 LYS 9 2HE LYS 9 5.899 5.394 -5.171
48 HZ1 LYS 9 3HZ LYS 9 8.174 5.055 -5.875
49 HZ2 LYS 9 1HZ LYS 9 8.003 4.380 -4.382
50 HZ3 LYS 9 2HZ LYS 9 8.777 5.803 -4.547
51 H PHE 10 H PHE 10 2.403 7.048 -2.617
52 HA PHE 10 HA PHE 10 1.935 7.765 0.241
53 HB2 PHE 10 1HB PHE 10 0.451 5.869 -1.620
54 HB3 PHE 10 2HB PHE 10 0.095 6.104 0.083
55 HD1 PHE 10 1HD PHE 10 0.019 7.721 -3.263
56 HD2 PHE 10 2HD PHE 10 -1.084 8.075 0.891
57 HE1 PHE 10 1HE PHE 10 -1.426 9.664 -3.814
58 HE2 PHE 10 2HE PHE 10 -2.525 10.022 0.338
59 HZ PHE 10 HZ PHE 10 -2.703 10.817 -2.013
60 H ALA 11 H ALA 11 2.137 6.021 1.812
61 HA ALA 11 HA ALA 11 4.069 3.877 1.062
62 HB1 ALA 11 1HB ALA 11 5.449 4.479 2.988
63 HB2 ALA 11 2HB ALA 11 5.306 5.862 1.884
64 HB3 ALA 11 3HB ALA 11 4.357 5.822 3.386
65 H CYS 12 H CYS 12 4.088 2.048 2.295
66 HA CYS 12 HA CYS 12 1.647 1.261 3.590
67 HB2 CYS 12 1HB CYS 12 3.026 -0.161 2.178
68 HB3 CYS 12 2HB CYS 12 4.348 -0.076 3.353
69 H ASP 13 H ASP 13 1.272 0.648 5.667
70 HA ASP 13 HA ASP 13 2.762 2.091 7.793
71 HB2 ASP 13 1HB ASP 13 0.269 2.314 7.514
72 HB3 ASP 13 2HB ASP 13 0.114 0.609 7.936
73 H TYR 14 H TYR 14 2.718 -0.996 6.414
74 HA TYR 14 HA TYR 14 3.514 -2.393 8.949
75 HB2 TYR 14 1HB TYR 14 2.262 -3.520 6.442
76 HB3 TYR 14 2HB TYR 14 2.598 -4.401 7.918
77 HD1 TYR 14 2HD TYR 14 1.192 -4.074 9.939
78 HD2 TYR 14 1HD TYR 14 0.322 -2.065 6.220
79 HE1 TYR 14 2HE TYR 14 -1.118 -3.573 10.742
80 HE2 TYR 14 1HE TYR 14 -1.979 -1.561 7.028
81 HH TYR 14 HH TYR 14 -3.484 -1.769 8.743
82 H CYS 15 H CYS 15 4.563 -1.677 5.668
83 HA CYS 15 HA CYS 15 7.150 -2.979 6.159
84 HB2 CYS 15 1HB CYS 15 7.140 -4.344 4.215
85 HB3 CYS 15 2HB CYS 15 5.707 -4.740 5.146
86 H SER 16 H SER 16 8.491 -2.651 3.947
87 HA SER 16 HA SER 16 8.688 0.258 3.713
88 HB2 SER 16 1HB SER 16 10.561 -1.879 2.640
89 HB3 SER 16 2HB SER 16 10.901 -0.142 2.761
90 HG SER 16 HG SER 16 11.784 -1.325 4.523
91 H PHE 17 H PHE 17 6.526 -1.009 2.302
92 HA PHE 17 HA PHE 17 7.096 -0.742 -0.579
93 HB2 PHE 17 1HB PHE 17 5.649 -2.528 0.186
94 HB3 PHE 17 2HB PHE 17 4.580 -1.379 0.978
95 HD1 PHE 17 2HD PHE 17 5.736 -2.655 -2.316
96 HD2 PHE 17 1HD PHE 17 2.882 -0.165 -0.250
97 HE1 PHE 17 2HE PHE 17 4.364 -2.503 -4.383
98 HE2 PHE 17 1HE PHE 17 1.512 -0.023 -2.312
99 HZ PHE 17 HZ PHE 17 2.256 -1.192 -4.383
100 H THR 18 H THR 18 6.287 0.794 -1.971
101 HA THR 18 HA THR 18 4.650 3.023 -0.954
102 HB THR 18 HB THR 18 6.002 4.734 -2.041
103 HG1 THR 18 1HG THR 18 7.977 2.721 -2.319
104 HG21 THR 18 3HG2 THR 18 7.845 4.922 -0.493
105 HG22 THR 18 1HG2 THR 18 7.740 3.200 -0.072
106 HG23 THR 18 2HG2 THR 18 6.422 4.306 0.361
107 H CYS 19 H CYS 19 3.501 4.177 -2.550
108 HA CYS 19 HA CYS 19 3.518 3.211 -5.339
109 HB2 CYS 19 1HB CYS 19 1.114 2.557 -5.226
110 HB3 CYS 19 2HB CYS 19 2.163 1.538 -4.239
111 HG CYS 19 HG CYS 19 0.156 4.030 -3.301
112 H LEU 20 H LEU 20 1.928 4.374 -6.712
113 HA LEU 20 HA LEU 20 2.270 7.195 -6.197
114 HB2 LEU 20 1HB LEU 20 1.871 7.532 -8.436
115 HB3 LEU 20 2HB LEU 20 2.717 5.999 -8.365
116 HG LEU 20 HG LEU 20 -0.271 6.422 -8.855
117 HD11 LEU 20 1HD1 LEU 20 0.236 5.618 -11.111
118 HD12 LEU 20 2HD1 LEU 20 1.954 5.442 -10.685
119 HD13 LEU 20 3HD1 LEU 20 1.201 7.052 -10.728
120 HD21 LEU 20 3HD2 LEU 20 -0.024 4.258 -7.731
121 HD22 LEU 20 1HD2 LEU 20 1.316 3.814 -8.827
122 HD23 LEU 20 2HD2 LEU 20 -0.340 4.005 -9.441
123 H SER 21 H SER 21 -0.371 5.210 -5.427
124 HA SER 21 HA SER 21 -2.188 7.553 -5.128
125 HB2 SER 21 1HB SER 21 -2.947 4.947 -6.507
126 HB3 SER 21 2HB SER 21 -4.064 6.255 -6.091
127 HG SER 21 HG SER 21 -2.889 7.624 -7.505
128 H LYS 22 H LYS 22 -3.704 7.403 -3.495
129 HA LYS 22 HA LYS 22 -3.180 5.648 -1.298
130 HB2 LYS 22 1HB LYS 22 -4.131 7.983 -1.231
131 HB3 LYS 22 2HB LYS 22 -5.676 7.327 -1.783
132 HG2 LYS 22 1HG LYS 22 -5.847 5.950 0.255
133 HG3 LYS 22 2HG LYS 22 -4.202 6.388 0.724
134 HD2 LYS 22 1HD LYS 22 -5.781 7.659 2.062
135 HD3 LYS 22 2HD LYS 22 -4.854 8.729 1.020
136 HE2 LYS 22 1HE LYS 22 -7.103 9.516 1.015
137 HE3 LYS 22 2HE LYS 22 -6.790 8.830 -0.577
138 HZ1 LYS 22 3HZ LYS 22 -8.946 8.128 0.316
139 HZ2 LYS 22 1HZ LYS 22 -8.249 7.459 1.629
140 HZ3 LYS 22 2HZ LYS 22 -7.991 6.816 0.146
141 H GLY 23 H GLY 23 -5.547 5.389 -3.926
142 HA2 GLY 23 1HA GLY 23 -7.040 3.149 -2.929
143 HA3 GLY 23 2HA GLY 23 -6.804 3.575 -4.630
144 H HIS 24 H HIS 24 -3.907 3.329 -4.668
145 HA HIS 24 HA HIS 24 -3.615 0.467 -4.977
146 HB2 HIS 24 1HB HIS 24 -2.500 2.344 -6.316
147 HB3 HIS 24 2HB HIS 24 -1.393 2.533 -4.960
148 HD1 HIS 24 1HD HIS 24 -1.704 0.694 -8.119
149 HD2 HIS 24 2HD HIS 24 -0.092 -0.028 -4.298
150 HE1 HIS 24 1HE HIS 24 -0.056 -1.230 -8.391
151 H LEU 25 H LEU 25 -2.521 2.823 -2.492
152 HA LEU 25 HA LEU 25 -1.184 0.955 -0.794
153 HB2 LEU 25 1HB LEU 25 -0.917 3.348 -0.516
154 HB3 LEU 25 2HB LEU 25 -2.637 3.565 -0.227
155 HG LEU 25 HG LEU 25 -2.486 2.346 1.902
156 HD11 LEU 25 1HD1 LEU 25 -0.282 1.820 2.865
157 HD12 LEU 25 2HD1 LEU 25 0.505 2.206 1.315
158 HD13 LEU 25 3HD1 LEU 25 -0.601 0.819 1.449
159 HD21 LEU 25 3HD2 LEU 25 -1.253 4.027 3.142
160 HD22 LEU 25 1HD2 LEU 25 -2.135 4.802 1.814
161 HD23 LEU 25 2HD2 LEU 25 -0.381 4.524 1.682
162 H LYS 26 H LYS 26 -4.636 1.957 -0.876
163 HA LYS 26 HA LYS 26 -5.537 0.318 1.269
164 HB2 LYS 26 1HB LYS 26 -6.723 2.218 0.160
165 HB3 LYS 26 2HB LYS 26 -7.100 1.184 -1.209
166 HG2 LYS 26 1HG LYS 26 -7.920 0.437 1.629
167 HG3 LYS 26 2HG LYS 26 -8.834 1.610 0.683
168 HD2 LYS 26 1HD LYS 26 -9.152 -0.109 -1.118
169 HD3 LYS 26 2HD LYS 26 -8.406 -1.318 -0.047
170 HE2 LYS 26 1HE LYS 26 -10.115 -0.892 1.671
171 HE3 LYS 26 2HE LYS 26 -10.824 0.393 0.683
172 HZ1 LYS 26 3HZ LYS 26 -11.359 -1.304 -0.998
173 HZ2 LYS 26 1HZ LYS 26 -12.057 -1.673 0.431
174 HZ3 LYS 26 2HZ LYS 26 -10.732 -2.490 -0.054
175 H VAL 27 H VAL 27 -5.337 -0.472 -2.225
176 HA VAL 27 HA VAL 27 -6.190 -3.207 -1.959
177 HB VAL 27 HB VAL 27 -4.539 -1.789 -4.072
178 HG11 VAL 27 1HG1 VAL 27 -5.024 -3.746 -5.544
179 HG12 VAL 27 2HG1 VAL 27 -3.918 -4.153 -4.232
180 HG13 VAL 27 3HG1 VAL 27 -5.627 -4.640 -4.129
181 HG21 VAL 27 3HG2 VAL 27 -7.405 -2.853 -4.066
182 HG22 VAL 27 1HG2 VAL 27 -6.961 -1.152 -3.844
183 HG23 VAL 27 2HG2 VAL 27 -6.611 -1.955 -5.379
184 H HIS 28 H HIS 28 -2.870 -1.784 -1.787
185 HA HIS 28 HA HIS 28 -1.483 -4.243 -1.462
186 HB2 HIS 28 1HB HIS 28 -0.327 -2.161 -1.903
187 HB3 HIS 28 2HB HIS 28 -0.895 -1.455 -0.397
188 HD1 HIS 28 1HD HIS 28 1.535 -4.219 -1.574
189 HD2 HIS 28 2HD HIS 28 0.574 -1.821 1.739
190 HE1 HIS 28 1HE HIS 28 3.352 -4.654 0.141
191 H ILE 29 H ILE 29 -2.853 -2.098 1.112
192 HA ILE 29 HA ILE 29 -2.216 -3.851 3.286
193 HB ILE 29 HB ILE 29 -4.324 -1.689 2.970
194 HG12 ILE 29 1HG1 ILE 29 -1.673 -1.705 4.498
195 HG13 ILE 29 2HG1 ILE 29 -1.843 -1.081 2.867
196 HG21 ILE 29 1HG2 ILE 29 -3.484 -3.157 5.519
197 HG22 ILE 29 2HG2 ILE 29 -4.530 -1.722 5.457
198 HG23 ILE 29 3HG2 ILE 29 -5.084 -3.226 4.751
199 HD11 ILE 29 3HD1 ILE 29 -1.890 0.772 4.389
200 HD12 ILE 29 1HD1 ILE 29 -3.502 0.597 3.665
201 HD13 ILE 29 2HD1 ILE 29 -3.199 0.059 5.336
202 H GLU 30 H GLU 30 -5.196 -3.631 1.300
203 HA GLU 30 HA GLU 30 -6.727 -5.563 2.665
204 HB2 GLU 30 1HB GLU 30 -7.550 -3.921 1.025
205 HB3 GLU 30 2HB GLU 30 -6.735 -4.791 -0.282
206 HG2 GLU 30 1HG GLU 30 -8.201 -6.745 0.095
207 HG3 GLU 30 2HG GLU 30 -8.973 -5.914 1.453
208 H ARG 31 H ARG 31 -4.050 -6.179 0.429
209 HA ARG 31 HA ARG 31 -4.879 -9.064 0.197
210 HB2 ARG 31 1HB ARG 31 -3.138 -7.356 -1.626
211 HB3 ARG 31 2HB ARG 31 -3.492 -9.061 -1.859
212 HG2 ARG 31 1HG ARG 31 -5.487 -6.760 -1.976
213 HG3 ARG 31 2HG ARG 31 -4.874 -7.694 -3.332
214 HD2 ARG 31 1HD ARG 31 -6.667 -8.720 -1.092
215 HD3 ARG 31 2HD ARG 31 -7.157 -8.330 -2.742
216 HE ARG 31 HE ARG 31 -5.076 -10.247 -2.915
217 HH11 ARG 31 2HH1 ARG 31 -8.423 -10.148 -1.888
218 HH12 ARG 31 1HH1 ARG 31 -8.663 -11.848 -2.196
219 HH21 ARG 31 2HH2 ARG 31 -5.449 -12.407 -3.284
220 HH22 ARG 31 1HH2 ARG 31 -7.020 -13.085 -2.971
221 H VAL 32 H VAL 32 -2.255 -6.955 1.168
222 HA VAL 32 HA VAL 32 -0.479 -9.294 1.594
223 HB VAL 32 HB VAL 32 0.184 -6.336 1.614
224 HG11 VAL 32 1HG1 VAL 32 1.973 -8.800 1.420
225 HG12 VAL 32 2HG1 VAL 32 2.514 -7.114 1.263
226 HG13 VAL 32 3HG1 VAL 32 1.875 -7.687 2.801
227 HG21 VAL 32 3HG2 VAL 32 1.182 -6.781 -0.640
228 HG22 VAL 32 1HG2 VAL 32 0.472 -8.408 -0.612
229 HG23 VAL 32 2HG2 VAL 32 -0.567 -6.968 -0.642
230 H HIS 33 H HIS 33 -2.199 -6.828 3.452
231 HA HIS 33 HA HIS 33 -0.932 -7.827 5.974
232 HB2 HIS 33 1HB HIS 33 -1.706 -4.972 5.318
233 HB3 HIS 33 2HB HIS 33 -0.995 -5.554 6.824
234 HD1 HIS 33 1HD HIS 33 1.530 -7.014 6.147
235 HD2 HIS 33 2HD HIS 33 0.043 -3.876 3.784
236 HE1 HIS 33 1HE HIS 33 3.509 -6.170 4.800
237 H LYS 34 H LYS 34 -2.851 -9.299 5.538
238 HA LYS 34 HA LYS 34 -5.545 -8.539 5.933
239 HB2 LYS 34 1HB LYS 34 -4.257 -11.137 6.871
240 HB3 LYS 34 2HB LYS 34 -5.951 -10.883 6.493
241 HG2 LYS 34 1HG LYS 34 -3.603 -10.931 4.549
242 HG3 LYS 34 2HG LYS 34 -4.860 -12.142 4.728
243 HD2 LYS 34 1HD LYS 34 -5.232 -9.320 3.635
244 HD3 LYS 34 2HD LYS 34 -5.195 -10.826 2.713
245 HE2 LYS 34 1HE LYS 34 -7.209 -11.609 4.064
246 HE3 LYS 34 2HE LYS 34 -7.294 -9.984 4.756
247 HZ1 LYS 34 3HZ LYS 34 -7.450 -9.160 2.402
248 HZ2 LYS 34 1HZ LYS 34 -8.746 -10.062 2.870
249 HZ3 LYS 34 2HZ LYS 34 -7.603 -10.704 1.896
250 H LYS 35 H LYS 35 -6.837 -8.177 7.658
251 HA LYS 35 HA LYS 35 -5.583 -7.416 10.182
252 HB2 LYS 35 1HB LYS 35 -8.490 -7.354 9.268
253 HB3 LYS 35 2HB LYS 35 -7.901 -6.715 10.810
254 HG2 LYS 35 1HG LYS 35 -6.378 -5.163 9.591
255 HG3 LYS 35 2HG LYS 35 -7.027 -5.751 8.047
256 HD2 LYS 35 1HD LYS 35 -9.294 -4.988 8.706
257 HD3 LYS 35 2HD LYS 35 -8.645 -4.395 10.251
258 HE2 LYS 35 1HE LYS 35 -7.118 -2.868 9.016
259 HE3 LYS 35 2HE LYS 35 -7.772 -3.451 7.481
260 HZ1 LYS 35 3HZ LYS 35 -9.951 -2.578 8.157
261 HZ2 LYS 35 1HZ LYS 35 -8.843 -1.382 8.169
262 HZ3 LYS 35 2HZ LYS 35 -9.342 -2.039 9.576
263 H ILE 36 H ILE 36 -6.075 -8.113 12.233
264 HA ILE 36 HA ILE 36 -6.888 -10.978 12.470
265 HB ILE 36 HB ILE 36 -5.411 -11.114 14.396
266 HG12 ILE 36 1HG1 ILE 36 -4.511 -8.270 13.740
267 HG13 ILE 36 2HG1 ILE 36 -5.543 -8.707 15.102
268 HG21 ILE 36 1HG2 ILE 36 -3.336 -11.182 13.166
269 HG22 ILE 36 2HG2 ILE 36 -4.644 -11.637 12.073
270 HG23 ILE 36 3HG2 ILE 36 -3.933 -10.011 11.971
271 HD11 ILE 36 3HD1 ILE 36 -3.284 -8.448 15.894
272 HD12 ILE 36 1HD1 ILE 36 -3.716 -10.166 15.994
273 HD13 ILE 36 2HD1 ILE 36 -2.658 -9.578 14.687
274 H LYS 37 H LYS 37 -8.333 -8.145 12.987
275 HA LYS 37 HA LYS 37 -9.392 -8.481 15.691
276 HB2 LYS 37 1HB LYS 37 -8.973 -6.267 14.628
277 HB3 LYS 37 2HB LYS 37 -10.248 -6.605 13.447
278 HG2 LYS 37 1HG LYS 37 -11.913 -6.743 15.284
279 HG3 LYS 37 2HG LYS 37 -10.627 -6.465 16.476
280 HD2 LYS 37 1HD LYS 37 -10.178 -4.240 15.468
281 HD3 LYS 37 2HD LYS 37 -11.462 -4.525 14.271
282 HE2 LYS 37 1HE LYS 37 -13.121 -4.743 16.113
283 HE3 LYS 37 2HE LYS 37 -11.844 -4.457 17.301
284 HZ1 LYS 37 3HZ LYS 37 -13.070 -2.421 16.815
285 HZ2 LYS 37 1HZ LYS 37 -12.707 -2.509 15.227
286 HZ3 LYS 37 2HZ LYS 37 -11.524 -2.244 16.325
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 1.048 22.959 -9.959
2 H2 GLY 1 2H GLY 1 1.198 23.760 -11.379
3 H3 GLY 1 3H GLY 1 0.523 24.508 -10.087
4 HA2 GLY 1 1HA GLY 1 2.770 25.307 -10.423
5 HA3 GLY 1 2HA GLY 1 2.591 24.466 -8.873
6 H SER 2 H SER 2 4.913 24.879 -10.868
7 HA SER 2 HA SER 2 5.574 22.216 -11.842
8 HB2 SER 2 1HB SER 2 7.659 23.338 -12.595
9 HB3 SER 2 2HB SER 2 6.177 24.136 -13.146
10 HG SER 2 HG SER 2 7.727 25.632 -12.322
11 H SER 3 H SER 3 6.066 23.752 -8.806
12 HA SER 3 HA SER 3 7.702 21.476 -7.873
13 HB2 SER 3 1HB SER 3 9.294 22.918 -6.710
14 HB3 SER 3 2HB SER 3 9.357 23.193 -8.455
15 HG SER 3 HG SER 3 9.348 25.162 -7.278
16 H GLY 4 H GLY 4 7.802 21.359 -5.499
17 HA2 GLY 4 1HA GLY 4 7.014 21.508 -3.348
18 HA3 GLY 4 2HA GLY 4 6.118 22.957 -3.797
19 H SER 5 H SER 5 4.406 21.856 -5.751
20 HA SER 5 HA SER 5 2.841 19.695 -4.409
21 HB2 SER 5 1HB SER 5 2.006 22.036 -3.876
22 HB3 SER 5 2HB SER 5 1.577 22.195 -5.585
23 HG SER 5 HG SER 5 0.231 20.346 -5.324
24 H SER 6 H SER 6 4.677 19.732 -6.767
25 HA SER 6 HA SER 6 3.069 19.511 -9.175
26 HB2 SER 6 1HB SER 6 5.266 18.832 -10.175
27 HB3 SER 6 2HB SER 6 5.276 20.391 -9.336
28 HG SER 6 HG SER 6 7.089 18.996 -8.829
29 H GLY 7 H GLY 7 3.765 17.268 -6.671
30 HA2 GLY 7 1HA GLY 7 2.249 15.165 -7.892
31 HA3 GLY 7 2HA GLY 7 3.970 14.774 -7.952
32 H GLU 8 H GLU 8 2.299 13.131 -6.576
33 HA GLU 8 HA GLU 8 3.231 13.360 -3.786
34 HB2 GLU 8 1HB GLU 8 1.070 14.554 -3.829
35 HB3 GLU 8 2HB GLU 8 0.278 13.132 -4.515
36 HG2 GLU 8 1HG GLU 8 0.637 11.869 -2.477
37 HG3 GLU 8 2HG GLU 8 1.733 13.102 -1.843
38 H LYS 9 H LYS 9 3.427 11.413 -2.741
39 HA LYS 9 HA LYS 9 2.542 8.888 -4.041
40 HB2 LYS 9 1HB LYS 9 5.381 9.473 -3.093
41 HB3 LYS 9 2HB LYS 9 4.756 7.858 -3.448
42 HG2 LYS 9 1HG LYS 9 4.252 8.568 -5.787
43 HG3 LYS 9 2HG LYS 9 4.989 10.148 -5.445
44 HD2 LYS 9 1HD LYS 9 7.137 9.030 -4.907
45 HD3 LYS 9 2HD LYS 9 6.403 7.450 -5.266
46 HE2 LYS 9 1HE LYS 9 5.934 8.199 -7.588
47 HE3 LYS 9 2HE LYS 9 6.653 9.775 -7.231
48 HZ1 LYS 9 3HZ LYS 9 8.245 8.307 -8.330
49 HZ2 LYS 9 1HZ LYS 9 8.112 7.183 -7.154
50 HZ3 LYS 9 2HZ LYS 9 8.774 8.641 -6.823
51 H PHE 10 H PHE 10 2.639 7.062 -2.616
52 HA PHE 10 HA PHE 10 1.895 7.752 0.200
53 HB2 PHE 10 1HB PHE 10 0.525 5.845 -1.735
54 HB3 PHE 10 2HB PHE 10 0.047 6.150 -0.073
55 HD1 PHE 10 2HD PHE 10 0.213 7.593 -3.487
56 HD2 PHE 10 1HD PHE 10 -1.154 8.189 0.557
57 HE1 PHE 10 2HE PHE 10 -1.159 9.524 -4.239
58 HE2 PHE 10 1HE PHE 10 -2.526 10.119 -0.197
59 HZ PHE 10 HZ PHE 10 -2.532 10.786 -2.592
60 H ALA 11 H ALA 11 2.055 5.995 1.746
61 HA ALA 11 HA ALA 11 3.972 3.832 1.040
62 HB1 ALA 11 1HB ALA 11 5.386 4.452 2.937
63 HB2 ALA 11 2HB ALA 11 5.252 5.818 1.809
64 HB3 ALA 11 3HB ALA 11 4.317 5.820 3.321
65 H CYS 12 H CYS 12 3.953 2.027 2.297
66 HA CYS 12 HA CYS 12 1.536 1.315 3.684
67 HB2 CYS 12 1HB CYS 12 2.853 -0.169 2.278
68 HB3 CYS 12 2HB CYS 12 4.215 -0.062 3.405
69 H ASP 13 H ASP 13 1.243 0.722 5.796
70 HA ASP 13 HA ASP 13 2.816 2.210 7.835
71 HB2 ASP 13 1HB ASP 13 0.316 2.448 7.645
72 HB3 ASP 13 2HB ASP 13 0.165 0.755 8.113
73 H TYR 14 H TYR 14 2.677 -0.913 6.529
74 HA TYR 14 HA TYR 14 3.559 -2.253 9.064
75 HB2 TYR 14 1HB TYR 14 2.210 -3.460 6.644
76 HB3 TYR 14 2HB TYR 14 2.558 -4.267 8.161
77 HD1 TYR 14 1HD TYR 14 1.244 -3.694 10.224
78 HD2 TYR 14 2HD TYR 14 0.267 -2.059 6.351
79 HE1 TYR 14 1HE TYR 14 -1.020 -3.074 11.056
80 HE2 TYR 14 2HE TYR 14 -1.998 -1.433 7.191
81 HH TYR 14 HH TYR 14 -3.038 -2.109 10.551
82 H CYS 15 H CYS 15 4.524 -1.600 5.754
83 HA CYS 15 HA CYS 15 7.105 -2.921 6.191
84 HB2 CYS 15 1HB CYS 15 7.034 -4.331 4.275
85 HB3 CYS 15 2HB CYS 15 5.634 -4.704 5.266
86 H SER 16 H SER 16 8.373 -2.664 3.926
87 HA SER 16 HA SER 16 8.589 0.235 3.613
88 HB2 SER 16 1HB SER 16 10.410 -1.946 2.539
89 HB3 SER 16 2HB SER 16 10.770 -0.211 2.611
90 HG SER 16 HG SER 16 11.690 -1.363 4.374
91 H PHE 17 H PHE 17 6.372 -1.036 2.291
92 HA PHE 17 HA PHE 17 6.850 -0.825 -0.611
93 HB2 PHE 17 1HB PHE 17 5.344 -2.525 0.186
94 HB3 PHE 17 2HB PHE 17 4.385 -1.343 1.060
95 HD1 PHE 17 2HD PHE 17 5.197 -2.687 -2.297
96 HD2 PHE 17 1HD PHE 17 2.721 0.048 -0.059
97 HE1 PHE 17 2HE PHE 17 3.669 -2.462 -4.245
98 HE2 PHE 17 1HE PHE 17 1.196 0.258 -2.001
99 HZ PHE 17 HZ PHE 17 1.665 -0.997 -4.096
100 H THR 18 H THR 18 6.261 0.797 -1.957
101 HA THR 18 HA THR 18 4.672 3.085 -0.980
102 HB THR 18 HB THR 18 6.144 4.700 -2.121
103 HG1 THR 18 1HG THR 18 8.251 4.045 -2.649
104 HG21 THR 18 3HG2 THR 18 6.397 4.298 0.331
105 HG22 THR 18 1HG2 THR 18 7.887 4.851 -0.450
106 HG23 THR 18 2HG2 THR 18 7.695 3.138 -0.015
107 H CYS 19 H CYS 19 3.585 4.270 -2.588
108 HA CYS 19 HA CYS 19 3.529 3.236 -5.350
109 HB2 CYS 19 1HB CYS 19 1.110 2.645 -5.174
110 HB3 CYS 19 2HB CYS 19 2.156 1.636 -4.175
111 HG CYS 19 HG CYS 19 0.097 4.103 -3.317
112 H LEU 20 H LEU 20 1.993 4.355 -6.738
113 HA LEU 20 HA LEU 20 2.197 7.220 -6.305
114 HB2 LEU 20 1HB LEU 20 1.762 7.450 -8.629
115 HB3 LEU 20 2HB LEU 20 2.990 6.249 -8.346
116 HG LEU 20 HG LEU 20 1.621 5.687 -10.225
117 HD11 LEU 20 1HD1 LEU 20 0.895 3.669 -8.077
118 HD12 LEU 20 2HD1 LEU 20 2.510 3.806 -8.839
119 HD13 LEU 20 3HD1 LEU 20 1.089 3.409 -9.813
120 HD21 LEU 20 3HD2 LEU 20 -0.523 6.752 -9.488
121 HD22 LEU 20 1HD2 LEU 20 -0.811 5.327 -8.454
122 HD23 LEU 20 2HD2 LEU 20 -0.690 5.141 -10.206
123 H SER 21 H SER 21 -0.240 5.216 -5.363
124 HA SER 21 HA SER 21 -2.216 7.422 -5.331
125 HB2 SER 21 1HB SER 21 -2.794 6.303 -7.377
126 HB3 SER 21 2HB SER 21 -2.706 4.712 -6.603
127 HG SER 21 HG SER 21 -4.872 5.694 -6.880
128 H LYS 22 H LYS 22 -3.674 7.340 -3.677
129 HA LYS 22 HA LYS 22 -3.206 5.687 -1.355
130 HB2 LYS 22 1HB LYS 22 -4.181 8.021 -1.416
131 HB3 LYS 22 2HB LYS 22 -5.680 7.329 -2.047
132 HG2 LYS 22 1HG LYS 22 -5.929 5.973 0.010
133 HG3 LYS 22 2HG LYS 22 -4.365 6.568 0.606
134 HD2 LYS 22 1HD LYS 22 -5.260 8.882 0.645
135 HD3 LYS 22 2HD LYS 22 -6.823 8.288 0.036
136 HE2 LYS 22 1HE LYS 22 -7.047 6.839 2.047
137 HE3 LYS 22 2HE LYS 22 -5.494 7.432 2.652
138 HZ1 LYS 22 3HZ LYS 22 -7.351 8.636 3.653
139 HZ2 LYS 22 1HZ LYS 22 -7.900 9.121 2.195
140 HZ3 LYS 22 2HZ LYS 22 -6.464 9.670 2.754
141 H GLY 23 H GLY 23 -5.217 5.281 -4.217
142 HA2 GLY 23 1HA GLY 23 -6.888 3.117 -3.245
143 HA3 GLY 23 2HA GLY 23 -6.518 3.506 -4.931
144 H HIS 24 H HIS 24 -3.645 3.255 -4.778
145 HA HIS 24 HA HIS 24 -3.305 0.367 -4.946
146 HB2 HIS 24 1HB HIS 24 -1.360 2.699 -5.068
147 HB3 HIS 24 2HB HIS 24 -0.858 1.017 -5.144
148 HD1 HIS 24 1HD HIS 24 -0.073 0.847 -7.601
149 HD2 HIS 24 2HD HIS 24 -3.900 2.533 -7.130
150 HE1 HIS 24 1HE HIS 24 -1.019 1.146 -9.946
151 H LEU 25 H LEU 25 -2.393 2.860 -2.517
152 HA LEU 25 HA LEU 25 -1.159 1.095 -0.658
153 HB2 LEU 25 1HB LEU 25 -0.956 3.522 -0.513
154 HB3 LEU 25 2HB LEU 25 -2.689 3.694 -0.262
155 HG LEU 25 HG LEU 25 -2.537 2.573 1.919
156 HD11 LEU 25 1HD1 LEU 25 -0.640 1.059 1.588
157 HD12 LEU 25 2HD1 LEU 25 -0.295 2.167 2.918
158 HD13 LEU 25 3HD1 LEU 25 0.451 2.438 1.328
159 HD21 LEU 25 3HD2 LEU 25 -0.461 4.773 1.664
160 HD22 LEU 25 1HD2 LEU 25 -1.374 4.324 3.114
161 HD23 LEU 25 2HD2 LEU 25 -2.220 5.036 1.730
162 H LYS 26 H LYS 26 -4.606 2.093 -0.914
163 HA LYS 26 HA LYS 26 -5.622 0.574 1.253
164 HB2 LYS 26 1HB LYS 26 -6.867 2.341 0.084
165 HB3 LYS 26 2HB LYS 26 -6.957 1.350 -1.379
166 HG2 LYS 26 1HG LYS 26 -8.287 -0.336 -0.184
167 HG3 LYS 26 2HG LYS 26 -8.164 0.597 1.321
168 HD2 LYS 26 1HD LYS 26 -9.352 2.485 0.220
169 HD3 LYS 26 2HD LYS 26 -9.505 1.538 -1.263
170 HE2 LYS 26 1HE LYS 26 -10.652 0.742 1.455
171 HE3 LYS 26 2HE LYS 26 -11.561 1.577 0.192
172 HZ1 LYS 26 3HZ LYS 26 -10.384 -1.150 -0.055
173 HZ2 LYS 26 1HZ LYS 26 -11.165 -0.356 -1.264
174 HZ3 LYS 26 2HZ LYS 26 -11.963 -0.793 0.092
175 H VAL 27 H VAL 27 -5.387 -0.432 -2.204
176 HA VAL 27 HA VAL 27 -6.273 -3.124 -1.728
177 HB VAL 27 HB VAL 27 -4.567 -1.957 -3.960
178 HG11 VAL 27 1HG1 VAL 27 -5.181 -4.016 -5.247
179 HG12 VAL 27 2HG1 VAL 27 -4.093 -4.366 -3.905
180 HG13 VAL 27 3HG1 VAL 27 -5.824 -4.735 -3.753
181 HG21 VAL 27 3HG2 VAL 27 -6.655 -2.126 -5.254
182 HG22 VAL 27 1HG2 VAL 27 -7.496 -2.827 -3.854
183 HG23 VAL 27 2HG2 VAL 27 -6.936 -1.147 -3.811
184 H HIS 28 H HIS 28 -2.916 -1.758 -1.689
185 HA HIS 28 HA HIS 28 -1.579 -4.213 -1.232
186 HB2 HIS 28 1HB HIS 28 -0.388 -2.178 -1.783
187 HB3 HIS 28 2HB HIS 28 -0.931 -1.390 -0.304
188 HD1 HIS 28 1HD HIS 28 1.515 -4.131 -1.437
189 HD2 HIS 28 2HD HIS 28 0.416 -1.863 1.922
190 HE1 HIS 28 1HE HIS 28 3.263 -4.634 0.335
191 H ILE 29 H ILE 29 -2.912 -1.926 1.238
192 HA ILE 29 HA ILE 29 -2.257 -3.575 3.493
193 HB ILE 29 HB ILE 29 -4.316 -1.383 3.095
194 HG12 ILE 29 1HG1 ILE 29 -1.656 -1.433 4.610
195 HG13 ILE 29 2HG1 ILE 29 -1.833 -0.837 2.967
196 HG21 ILE 29 1HG2 ILE 29 -5.133 -2.818 4.926
197 HG22 ILE 29 2HG2 ILE 29 -3.529 -2.792 5.693
198 HG23 ILE 29 3HG2 ILE 29 -4.519 -1.318 5.587
199 HD11 ILE 29 3HD1 ILE 29 -3.105 0.389 5.441
200 HD12 ILE 29 1HD1 ILE 29 -1.802 1.045 4.450
201 HD13 ILE 29 2HD1 ILE 29 -3.435 0.902 3.766
202 H GLU 30 H GLU 30 -5.290 -3.403 1.557
203 HA GLU 30 HA GLU 30 -6.626 -5.408 3.140
204 HB2 GLU 30 1HB GLU 30 -7.194 -4.174 0.422
205 HB3 GLU 30 2HB GLU 30 -8.256 -5.363 1.174
206 HG2 GLU 30 1HG GLU 30 -8.457 -3.920 3.195
207 HG3 GLU 30 2HG GLU 30 -7.526 -2.664 2.383
208 H ARG 31 H ARG 31 -4.183 -5.904 0.768
209 HA ARG 31 HA ARG 31 -5.180 -8.672 0.166
210 HB2 ARG 31 1HB ARG 31 -5.030 -7.006 -1.699
211 HB3 ARG 31 2HB ARG 31 -3.284 -6.898 -1.423
212 HG2 ARG 31 1HG ARG 31 -3.058 -9.308 -1.975
213 HG3 ARG 31 2HG ARG 31 -4.820 -9.408 -2.218
214 HD2 ARG 31 1HD ARG 31 -4.665 -7.699 -3.999
215 HD3 ARG 31 2HD ARG 31 -2.907 -7.610 -3.763
216 HE ARG 31 HE ARG 31 -3.561 -10.323 -4.253
217 HH11 ARG 31 2HH1 ARG 31 -3.618 -7.334 -6.081
218 HH12 ARG 31 1HH1 ARG 31 -3.413 -8.156 -7.605
219 HH21 ARG 31 2HH2 ARG 31 -3.301 -11.306 -6.230
220 HH22 ARG 31 1HH2 ARG 31 -3.237 -10.347 -7.678
221 H VAL 32 H VAL 32 -2.275 -6.798 1.018
222 HA VAL 32 HA VAL 32 -0.671 -9.256 1.231
223 HB VAL 32 HB VAL 32 0.104 -6.339 1.584
224 HG11 VAL 32 1HG1 VAL 32 2.421 -7.155 1.233
225 HG12 VAL 32 2HG1 VAL 32 1.715 -7.786 2.721
226 HG13 VAL 32 3HG1 VAL 32 1.827 -8.830 1.284
227 HG21 VAL 32 3HG2 VAL 32 -0.615 -6.770 -0.726
228 HG22 VAL 32 1HG2 VAL 32 1.142 -6.633 -0.679
229 HG23 VAL 32 2HG2 VAL 32 0.389 -8.236 -0.793
230 H HIS 33 H HIS 33 -1.930 -6.728 3.414
231 HA HIS 33 HA HIS 33 -0.725 -8.130 5.755
232 HB2 HIS 33 1HB HIS 33 -1.820 -5.316 5.496
233 HB3 HIS 33 2HB HIS 33 -1.098 -6.026 6.943
234 HD1 HIS 33 1HD HIS 33 1.575 -7.089 6.300
235 HD2 HIS 33 2HD HIS 33 -0.129 -4.004 4.017
236 HE1 HIS 33 1HE HIS 33 3.495 -6.043 5.019
237 H LYS 34 H LYS 34 -2.142 -9.837 5.679
238 HA LYS 34 HA LYS 34 -5.000 -9.609 5.639
239 HB2 LYS 34 1HB LYS 34 -3.277 -12.035 6.257
240 HB3 LYS 34 2HB LYS 34 -4.976 -12.040 5.770
241 HG2 LYS 34 1HG LYS 34 -4.322 -11.018 3.574
242 HG3 LYS 34 2HG LYS 34 -2.617 -11.144 4.055
243 HD2 LYS 34 1HD LYS 34 -2.981 -13.624 4.416
244 HD3 LYS 34 2HD LYS 34 -4.580 -13.450 3.689
245 HE2 LYS 34 1HE LYS 34 -1.902 -12.824 2.349
246 HE3 LYS 34 2HE LYS 34 -2.849 -14.294 2.119
247 HZ1 LYS 34 3HZ LYS 34 -3.319 -12.818 0.327
248 HZ2 LYS 34 1HZ LYS 34 -3.629 -11.553 1.295
249 HZ3 LYS 34 2HZ LYS 34 -4.665 -12.834 1.249
250 H LYS 35 H LYS 35 -4.459 -8.066 7.715
251 HA LYS 35 HA LYS 35 -4.832 -9.420 10.308
252 HB2 LYS 35 1HB LYS 35 -4.894 -6.463 9.569
253 HB3 LYS 35 2HB LYS 35 -4.826 -7.117 11.202
254 HG2 LYS 35 1HG LYS 35 -2.639 -7.354 9.087
255 HG3 LYS 35 2HG LYS 35 -2.651 -6.285 10.487
256 HD2 LYS 35 1HD LYS 35 -2.692 -8.290 11.995
257 HD3 LYS 35 2HD LYS 35 -2.556 -9.335 10.561
258 HE2 LYS 35 1HE LYS 35 -0.428 -8.223 9.946
259 HE3 LYS 35 2HE LYS 35 -0.560 -7.172 11.360
260 HZ1 LYS 35 3HZ LYS 35 -0.430 -9.158 12.769
261 HZ2 LYS 35 1HZ LYS 35 0.885 -9.073 11.807
262 HZ3 LYS 35 2HZ LYS 35 -0.306 -10.134 11.464
263 H ILE 36 H ILE 36 -6.955 -8.485 7.857
264 HA ILE 36 HA ILE 36 -9.254 -7.694 9.356
265 HB ILE 36 HB ILE 36 -8.836 -7.240 6.966
266 HG12 ILE 36 1HG1 ILE 36 -11.489 -8.668 7.380
267 HG13 ILE 36 2HG1 ILE 36 -11.099 -7.075 8.039
268 HG21 ILE 36 1HG2 ILE 36 -9.665 -10.126 6.423
269 HG22 ILE 36 2HG2 ILE 36 -9.233 -8.888 5.229
270 HG23 ILE 36 3HG2 ILE 36 -7.999 -9.524 6.310
271 HD11 ILE 36 3HD1 ILE 36 -11.256 -7.812 5.087
272 HD12 ILE 36 1HD1 ILE 36 -12.376 -6.798 6.010
273 HD13 ILE 36 2HD1 ILE 36 -10.721 -6.232 5.714
274 H LYS 37 H LYS 37 -11.194 -8.828 9.790
275 HA LYS 37 HA LYS 37 -10.936 -11.766 10.247
276 HB2 LYS 37 1HB LYS 37 -12.102 -11.539 12.339
277 HB3 LYS 37 2HB LYS 37 -10.641 -10.553 12.345
278 HG2 LYS 37 1HG LYS 37 -12.024 -8.516 11.907
279 HG3 LYS 37 2HG LYS 37 -13.484 -9.527 11.915
280 HD2 LYS 37 1HD LYS 37 -13.020 -10.177 14.272
281 HD3 LYS 37 2HD LYS 37 -11.545 -9.203 14.244
282 HE2 LYS 37 1HE LYS 37 -13.211 -7.916 15.366
283 HE3 LYS 37 2HE LYS 37 -12.912 -7.159 13.800
284 HZ1 LYS 37 3HZ LYS 37 -14.959 -8.212 12.981
285 HZ2 LYS 37 1HZ LYS 37 -15.290 -7.318 14.302
286 HZ3 LYS 37 2HZ LYS 37 -15.214 -8.940 14.424
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 10.315 26.124 4.411
2 H2 GLY 1 2H GLY 1 9.234 25.701 3.254
3 H3 GLY 1 3H GLY 1 8.974 27.036 4.175
4 HA2 GLY 1 1HA GLY 1 10.911 28.128 3.237
5 HA3 GLY 1 2HA GLY 1 11.161 26.691 2.228
6 H SER 2 H SER 2 10.419 26.899 0.200
7 HA SER 2 HA SER 2 8.496 28.982 -0.571
8 HB2 SER 2 1HB SER 2 9.086 28.351 -2.825
9 HB3 SER 2 2HB SER 2 10.565 28.471 -1.864
10 HG SER 2 HG SER 2 10.596 26.566 -3.088
11 H SER 3 H SER 3 6.930 28.121 -2.479
12 HA SER 3 HA SER 3 4.929 26.373 -1.390
13 HB2 SER 3 1HB SER 3 3.977 26.492 -3.688
14 HB3 SER 3 2HB SER 3 4.351 28.076 -2.990
15 HG SER 3 HG SER 3 5.079 27.880 -5.171
16 H GLY 4 H GLY 4 7.936 25.611 -2.892
17 HA2 GLY 4 1HA GLY 4 7.224 22.920 -3.817
18 HA3 GLY 4 2HA GLY 4 8.828 23.648 -3.744
19 H SER 5 H SER 5 7.486 24.093 -0.694
20 HA SER 5 HA SER 5 9.227 22.255 0.609
21 HB2 SER 5 1HB SER 5 6.746 23.629 1.710
22 HB3 SER 5 2HB SER 5 7.998 22.823 2.669
23 HG SER 5 HG SER 5 8.202 25.148 1.069
24 H SER 6 H SER 6 8.846 20.464 1.867
25 HA SER 6 HA SER 6 8.233 18.346 2.240
26 HB2 SER 6 1HB SER 6 6.140 18.080 3.438
27 HB3 SER 6 2HB SER 6 7.082 19.483 3.951
28 HG SER 6 HG SER 6 4.870 19.995 3.755
29 H GLY 7 H GLY 7 4.977 18.935 1.015
30 HA2 GLY 7 1HA GLY 7 3.766 17.833 -0.670
31 HA3 GLY 7 2HA GLY 7 5.252 17.101 -1.273
32 H GLU 8 H GLU 8 3.677 15.228 -1.453
33 HA GLU 8 HA GLU 8 3.868 13.494 0.926
34 HB2 GLU 8 1HB GLU 8 1.696 14.743 1.099
35 HB3 GLU 8 2HB GLU 8 1.224 14.097 -0.467
36 HG2 GLU 8 1HG GLU 8 0.124 12.878 1.300
37 HG3 GLU 8 2HG GLU 8 1.226 11.799 0.469
38 H LYS 9 H LYS 9 3.760 11.309 0.536
39 HA LYS 9 HA LYS 9 3.087 10.233 -2.103
40 HB2 LYS 9 1HB LYS 9 5.536 10.698 -2.300
41 HB3 LYS 9 2HB LYS 9 5.835 9.648 -0.906
42 HG2 LYS 9 1HG LYS 9 4.924 7.711 -2.143
43 HG3 LYS 9 2HG LYS 9 4.492 8.764 -3.507
44 HD2 LYS 9 1HD LYS 9 6.894 9.290 -3.851
45 HD3 LYS 9 2HD LYS 9 7.320 8.232 -2.487
46 HE2 LYS 9 1HE LYS 9 6.291 6.301 -3.665
47 HE3 LYS 9 2HE LYS 9 5.844 7.354 -5.013
48 HZ1 LYS 9 3HZ LYS 9 8.213 7.760 -5.404
49 HZ2 LYS 9 1HZ LYS 9 7.917 6.157 -5.462
50 HZ3 LYS 9 2HZ LYS 9 8.637 6.803 -4.150
51 H PHE 10 H PHE 10 2.283 8.143 -1.967
52 HA PHE 10 HA PHE 10 1.281 7.536 0.689
53 HB2 PHE 10 1HB PHE 10 0.738 6.059 -1.901
54 HB3 PHE 10 2HB PHE 10 -0.261 6.091 -0.455
55 HD1 PHE 10 2HD PHE 10 -1.011 8.542 0.353
56 HD2 PHE 10 1HD PHE 10 0.201 7.530 -3.653
57 HE1 PHE 10 2HE PHE 10 -2.082 10.614 -0.495
58 HE2 PHE 10 1HE PHE 10 -0.911 9.582 -4.512
59 HZ PHE 10 HZ PHE 10 -2.037 11.135 -2.931
60 H ALA 11 H ALA 11 1.869 5.948 2.070
61 HA ALA 11 HA ALA 11 3.824 3.875 1.213
62 HB1 ALA 11 1HB ALA 11 4.171 5.797 3.551
63 HB2 ALA 11 2HB ALA 11 5.269 4.473 3.101
64 HB3 ALA 11 3HB ALA 11 5.064 5.865 2.016
65 H CYS 12 H CYS 12 3.906 2.024 2.388
66 HA CYS 12 HA CYS 12 1.571 1.210 3.901
67 HB2 CYS 12 1HB CYS 12 2.785 -0.176 2.292
68 HB3 CYS 12 2HB CYS 12 4.229 -0.127 3.317
69 H ASP 13 H ASP 13 1.475 0.531 6.007
70 HA ASP 13 HA ASP 13 3.295 1.882 7.940
71 HB2 ASP 13 1HB ASP 13 0.804 2.271 7.990
72 HB3 ASP 13 2HB ASP 13 0.598 0.575 8.428
73 H TYR 14 H TYR 14 2.914 -1.145 6.522
74 HA TYR 14 HA TYR 14 3.866 -2.668 8.922
75 HB2 TYR 14 1HB TYR 14 2.331 -3.682 6.528
76 HB3 TYR 14 2HB TYR 14 2.684 -4.561 8.005
77 HD1 TYR 14 2HD TYR 14 1.497 -3.949 10.143
78 HD2 TYR 14 1HD TYR 14 0.483 -2.140 6.358
79 HE1 TYR 14 2HE TYR 14 -0.652 -3.120 11.106
80 HE2 TYR 14 1HE TYR 14 -1.650 -1.304 7.325
81 HH TYR 14 HH TYR 14 -2.978 -1.179 9.188
82 H CYS 15 H CYS 15 4.718 -1.816 5.654
83 HA CYS 15 HA CYS 15 7.281 -3.190 5.900
84 HB2 CYS 15 1HB CYS 15 7.158 -4.464 3.888
85 HB3 CYS 15 2HB CYS 15 5.792 -4.918 4.894
86 H SER 16 H SER 16 8.447 -2.772 3.591
87 HA SER 16 HA SER 16 8.629 0.163 3.482
88 HB2 SER 16 1HB SER 16 10.486 -1.939 2.313
89 HB3 SER 16 2HB SER 16 10.782 -0.192 2.340
90 HG SER 16 HG SER 16 10.484 -1.899 4.608
91 H PHE 17 H PHE 17 6.391 -1.053 2.159
92 HA PHE 17 HA PHE 17 6.762 -0.637 -0.734
93 HB2 PHE 17 1HB PHE 17 5.236 -2.351 -0.021
94 HB3 PHE 17 2HB PHE 17 4.354 -1.229 0.999
95 HD1 PHE 17 2HD PHE 17 4.928 -2.334 -2.484
96 HD2 PHE 17 1HD PHE 17 2.720 0.353 0.072
97 HE1 PHE 17 2HE PHE 17 3.329 -1.878 -4.331
98 HE2 PHE 17 1HE PHE 17 1.130 0.805 -1.779
99 HZ PHE 17 HZ PHE 17 1.422 -0.323 -3.977
100 H THR 18 H THR 18 6.332 1.150 -1.885
101 HA THR 18 HA THR 18 4.654 3.306 -0.773
102 HB THR 18 HB THR 18 6.088 5.077 -1.588
103 HG1 THR 18 1HG THR 18 8.294 4.479 -2.130
104 HG21 THR 18 3HG2 THR 18 7.856 5.034 0.049
105 HG22 THR 18 1HG2 THR 18 7.776 3.263 0.185
106 HG23 THR 18 2HG2 THR 18 6.429 4.267 0.761
107 H CYS 19 H CYS 19 3.636 4.637 -2.355
108 HA CYS 19 HA CYS 19 3.706 3.731 -5.168
109 HB2 CYS 19 1HB CYS 19 2.193 2.221 -3.761
110 HB3 CYS 19 2HB CYS 19 1.112 3.613 -3.575
111 HG CYS 19 HG CYS 19 0.357 1.819 -5.462
112 H LEU 20 H LEU 20 2.274 4.971 -6.558
113 HA LEU 20 HA LEU 20 2.143 7.837 -5.827
114 HB2 LEU 20 1HB LEU 20 3.436 6.981 -7.804
115 HB3 LEU 20 2HB LEU 20 1.921 6.458 -8.530
116 HG LEU 20 HG LEU 20 1.180 8.802 -8.737
117 HD11 LEU 20 1HD1 LEU 20 3.852 9.495 -7.431
118 HD12 LEU 20 2HD1 LEU 20 2.231 9.845 -6.779
119 HD13 LEU 20 3HD1 LEU 20 2.778 10.656 -8.245
120 HD21 LEU 20 3HD2 LEU 20 2.549 7.793 -10.517
121 HD22 LEU 20 1HD2 LEU 20 4.026 8.395 -9.729
122 HD23 LEU 20 2HD2 LEU 20 2.828 9.538 -10.382
123 H SER 21 H SER 21 0.031 5.303 -5.622
124 HA SER 21 HA SER 21 -2.367 7.049 -6.009
125 HB2 SER 21 1HB SER 21 -2.338 5.536 -7.870
126 HB3 SER 21 2HB SER 21 -2.032 4.150 -6.809
127 HG SER 21 HG SER 21 -4.286 4.507 -7.498
128 H LYS 22 H LYS 22 -3.828 7.065 -4.460
129 HA LYS 22 HA LYS 22 -3.456 5.878 -1.846
130 HB2 LYS 22 1HB LYS 22 -5.924 7.105 -3.172
131 HB3 LYS 22 2HB LYS 22 -5.793 6.688 -1.460
132 HG2 LYS 22 1HG LYS 22 -3.981 8.319 -1.158
133 HG3 LYS 22 2HG LYS 22 -4.043 8.736 -2.884
134 HD2 LYS 22 1HD LYS 22 -6.400 9.472 -2.625
135 HD3 LYS 22 2HD LYS 22 -6.327 9.089 -0.891
136 HE2 LYS 22 1HE LYS 22 -4.500 10.732 -0.597
137 HE3 LYS 22 2HE LYS 22 -4.528 11.092 -2.329
138 HZ1 LYS 22 3HZ LYS 22 -6.811 11.906 -2.057
139 HZ2 LYS 22 1HZ LYS 22 -5.810 12.726 -1.065
140 HZ3 LYS 22 2HZ LYS 22 -6.789 11.573 -0.457
141 H GLY 23 H GLY 23 -5.509 5.015 -4.638
142 HA2 GLY 23 1HA GLY 23 -7.013 2.935 -3.371
143 HA3 GLY 23 2HA GLY 23 -6.760 3.134 -5.113
144 H HIS 24 H HIS 24 -3.941 2.838 -5.226
145 HA HIS 24 HA HIS 24 -3.612 -0.022 -5.112
146 HB2 HIS 24 1HB HIS 24 -1.602 2.226 -5.430
147 HB3 HIS 24 2HB HIS 24 -1.241 0.512 -5.661
148 HD1 HIS 24 1HD HIS 24 -4.492 0.806 -7.251
149 HD2 HIS 24 2HD HIS 24 -0.556 1.997 -8.140
150 HE1 HIS 24 1HE HIS 24 -4.412 1.185 -9.768
151 H LEU 25 H LEU 25 -2.570 2.590 -2.854
152 HA LEU 25 HA LEU 25 -1.170 0.805 -1.079
153 HB2 LEU 25 1HB LEU 25 -0.773 3.220 -1.060
154 HB3 LEU 25 2HB LEU 25 -2.449 3.524 -0.600
155 HG LEU 25 HG LEU 25 -2.083 2.341 1.563
156 HD11 LEU 25 1HD1 LEU 25 -0.247 0.807 0.958
157 HD12 LEU 25 2HD1 LEU 25 0.231 1.856 2.286
158 HD13 LEU 25 3HD1 LEU 25 0.827 2.194 0.647
159 HD21 LEU 25 3HD2 LEU 25 -0.779 4.052 2.626
160 HD22 LEU 25 1HD2 LEU 25 -1.753 4.798 1.348
161 HD23 LEU 25 2HD2 LEU 25 -0.016 4.495 1.089
162 H LYS 26 H LYS 26 -4.586 1.958 -1.111
163 HA LYS 26 HA LYS 26 -5.398 0.512 1.240
164 HB2 LYS 26 1HB LYS 26 -6.967 1.384 -1.224
165 HB3 LYS 26 2HB LYS 26 -7.714 0.658 0.195
166 HG2 LYS 26 1HG LYS 26 -6.116 3.255 0.247
167 HG3 LYS 26 2HG LYS 26 -7.871 3.139 0.124
168 HD2 LYS 26 1HD LYS 26 -7.929 1.961 2.330
169 HD3 LYS 26 2HD LYS 26 -6.169 2.180 2.469
170 HE2 LYS 26 1HE LYS 26 -6.455 4.636 2.301
171 HE3 LYS 26 2HE LYS 26 -8.205 4.428 2.156
172 HZ1 LYS 26 3HZ LYS 26 -7.565 4.943 4.440
173 HZ2 LYS 26 1HZ LYS 26 -6.588 3.639 4.525
174 HZ3 LYS 26 2HZ LYS 26 -8.207 3.445 4.388
175 H VAL 27 H VAL 27 -5.425 -0.533 -2.188
176 HA VAL 27 HA VAL 27 -6.340 -3.204 -1.691
177 HB VAL 27 HB VAL 27 -4.712 -1.962 -3.929
178 HG11 VAL 27 1HG1 VAL 27 -4.083 -4.329 -3.956
179 HG12 VAL 27 2HG1 VAL 27 -5.791 -4.805 -3.801
180 HG13 VAL 27 3HG1 VAL 27 -5.210 -3.996 -5.272
181 HG21 VAL 27 3HG2 VAL 27 -6.812 -2.213 -5.177
182 HG22 VAL 27 1HG2 VAL 27 -7.573 -3.032 -3.796
183 HG23 VAL 27 2HG2 VAL 27 -7.132 -1.320 -3.687
184 H HIS 28 H HIS 28 -2.980 -1.892 -1.687
185 HA HIS 28 HA HIS 28 -1.660 -4.356 -1.183
186 HB2 HIS 28 1HB HIS 28 -0.474 -2.353 -1.859
187 HB3 HIS 28 2HB HIS 28 -0.960 -1.502 -0.402
188 HD1 HIS 28 1HD HIS 28 1.506 -4.190 -1.544
189 HD2 HIS 28 2HD HIS 28 0.428 -1.927 1.826
190 HE1 HIS 28 1HE HIS 28 3.334 -4.589 0.169
191 H ILE 29 H ILE 29 -2.815 -1.921 1.240
192 HA ILE 29 HA ILE 29 -2.115 -3.520 3.520
193 HB ILE 29 HB ILE 29 -4.063 -1.218 3.166
194 HG12 ILE 29 1HG1 ILE 29 -1.275 -1.347 4.427
195 HG13 ILE 29 2HG1 ILE 29 -1.585 -0.814 2.780
196 HG21 ILE 29 1HG2 ILE 29 -4.023 -1.007 5.659
197 HG22 ILE 29 2HG2 ILE 29 -4.787 -2.495 5.141
198 HG23 ILE 29 3HG2 ILE 29 -3.121 -2.537 5.756
199 HD11 ILE 29 3HD1 ILE 29 -1.309 1.131 4.130
200 HD12 ILE 29 1HD1 ILE 29 -3.016 1.041 3.652
201 HD13 ILE 29 2HD1 ILE 29 -2.514 0.593 5.304
202 H GLU 30 H GLU 30 -5.163 -3.311 1.681
203 HA GLU 30 HA GLU 30 -6.776 -4.947 3.338
204 HB2 GLU 30 1HB GLU 30 -7.595 -3.424 1.610
205 HB3 GLU 30 2HB GLU 30 -6.823 -4.386 0.346
206 HG2 GLU 30 1HG GLU 30 -8.383 -6.268 0.865
207 HG3 GLU 30 2HG GLU 30 -9.152 -5.259 2.097
208 H ARG 31 H ARG 31 -4.290 -5.974 1.008
209 HA ARG 31 HA ARG 31 -5.344 -8.794 1.163
210 HB2 ARG 31 1HB ARG 31 -4.108 -7.403 -1.241
211 HB3 ARG 31 2HB ARG 31 -4.736 -9.058 -1.181
212 HG2 ARG 31 1HG ARG 31 -7.008 -8.158 -0.624
213 HG3 ARG 31 2HG ARG 31 -6.364 -6.517 -0.746
214 HD2 ARG 31 1HD ARG 31 -5.719 -7.046 -3.140
215 HD3 ARG 31 2HD ARG 31 -6.727 -8.506 -2.983
216 HE ARG 31 HE ARG 31 -8.168 -6.198 -2.023
217 HH11 ARG 31 2HH1 ARG 31 -7.251 -7.506 -5.154
218 HH12 ARG 31 1HH1 ARG 31 -8.535 -6.627 -5.948
219 HH21 ARG 31 2HH2 ARG 31 -9.631 -5.189 -2.980
220 HH22 ARG 31 1HH2 ARG 31 -9.918 -5.311 -4.721
221 H VAL 32 H VAL 32 -2.407 -6.844 1.206
222 HA VAL 32 HA VAL 32 -0.707 -9.252 1.326
223 HB VAL 32 HB VAL 32 0.043 -6.319 1.581
224 HG11 VAL 32 1HG1 VAL 32 1.772 -7.760 2.554
225 HG12 VAL 32 2HG1 VAL 32 1.759 -8.789 1.103
226 HG13 VAL 32 3HG1 VAL 32 2.324 -7.106 1.011
227 HG21 VAL 32 3HG2 VAL 32 0.860 -6.596 -0.769
228 HG22 VAL 32 1HG2 VAL 32 0.137 -8.216 -0.812
229 HG23 VAL 32 2HG2 VAL 32 -0.890 -6.774 -0.655
230 H HIS 33 H HIS 33 -1.973 -6.787 3.541
231 HA HIS 33 HA HIS 33 -0.630 -8.141 5.837
232 HB2 HIS 33 1HB HIS 33 -1.584 -5.278 5.600
233 HB3 HIS 33 2HB HIS 33 -0.755 -5.993 6.985
234 HD1 HIS 33 1HD HIS 33 1.782 -7.212 6.104
235 HD2 HIS 33 2HD HIS 33 0.025 -4.045 3.976
236 HE1 HIS 33 1HE HIS 33 3.634 -6.236 4.671
237 H LYS 34 H LYS 34 -3.275 -8.826 4.550
238 HA LYS 34 HA LYS 34 -5.447 -8.268 6.261
239 HB2 LYS 34 1HB LYS 34 -6.553 -10.123 5.128
240 HB3 LYS 34 2HB LYS 34 -5.632 -9.140 3.993
241 HG2 LYS 34 1HG LYS 34 -3.785 -10.842 4.055
242 HG3 LYS 34 2HG LYS 34 -4.796 -11.861 5.097
243 HD2 LYS 34 1HD LYS 34 -6.533 -11.955 3.344
244 HD3 LYS 34 2HD LYS 34 -5.575 -10.904 2.300
245 HE2 LYS 34 1HE LYS 34 -4.790 -13.701 3.241
246 HE3 LYS 34 2HE LYS 34 -5.418 -13.272 1.648
247 HZ1 LYS 34 3HZ LYS 34 -3.413 -11.765 1.447
248 HZ2 LYS 34 1HZ LYS 34 -3.072 -13.373 1.446
249 HZ3 LYS 34 2HZ LYS 34 -2.800 -12.476 2.780
250 H LYS 35 H LYS 35 -2.810 -10.254 7.067
251 HA LYS 35 HA LYS 35 -4.183 -12.114 8.826
252 HB2 LYS 35 1HB LYS 35 -1.984 -12.929 9.371
253 HB3 LYS 35 2HB LYS 35 -2.117 -12.694 7.630
254 HG2 LYS 35 1HG LYS 35 -0.844 -10.556 7.817
255 HG3 LYS 35 2HG LYS 35 -0.730 -10.780 9.573
256 HD2 LYS 35 1HD LYS 35 0.506 -12.906 9.222
257 HD3 LYS 35 2HD LYS 35 0.411 -12.665 7.463
258 HE2 LYS 35 1HE LYS 35 1.662 -10.534 7.684
259 HE3 LYS 35 2HE LYS 35 1.738 -10.750 9.438
260 HZ1 LYS 35 3HZ LYS 35 2.969 -12.581 7.443
261 HZ2 LYS 35 1HZ LYS 35 3.038 -12.780 9.064
262 HZ3 LYS 35 2HZ LYS 35 3.781 -11.509 8.366
263 H ILE 36 H ILE 36 -3.379 -8.849 9.348
264 HA ILE 36 HA ILE 36 -2.647 -9.002 12.128
265 HB ILE 36 HB ILE 36 -2.966 -6.606 12.205
266 HG12 ILE 36 1HG1 ILE 36 -4.240 -6.870 9.452
267 HG13 ILE 36 2HG1 ILE 36 -5.001 -6.315 10.937
268 HG21 ILE 36 1HG2 ILE 36 -1.574 -7.400 9.620
269 HG22 ILE 36 2HG2 ILE 36 -1.222 -6.004 10.654
270 HG23 ILE 36 3HG2 ILE 36 -0.907 -7.636 11.247
271 HD11 ILE 36 3HD1 ILE 36 -4.529 -4.400 9.572
272 HD12 ILE 36 1HD1 ILE 36 -3.437 -4.354 10.973
273 HD13 ILE 36 2HD1 ILE 36 -2.834 -4.867 9.375
274 H LYS 37 H LYS 37 -3.774 -8.225 13.940
275 HA LYS 37 HA LYS 37 -5.350 -8.489 15.528
276 HB2 LYS 37 1HB LYS 37 -5.965 -6.346 14.363
277 HB3 LYS 37 2HB LYS 37 -7.246 -7.231 13.529
278 HG2 LYS 37 1HG LYS 37 -8.241 -7.819 15.767
279 HG3 LYS 37 2HG LYS 37 -6.908 -6.975 16.560
280 HD2 LYS 37 1HD LYS 37 -8.852 -5.555 16.574
281 HD3 LYS 37 2HD LYS 37 -7.635 -4.840 15.505
282 HE2 LYS 37 1HE LYS 37 -8.831 -5.750 13.529
283 HE3 LYS 37 2HE LYS 37 -10.014 -6.527 14.590
284 HZ1 LYS 37 3HZ LYS 37 -10.841 -4.409 13.739
285 HZ2 LYS 37 1HZ LYS 37 -9.583 -3.592 14.383
286 HZ3 LYS 37 2HZ LYS 37 -10.680 -4.312 15.359
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 12.181 16.715 -16.571
2 H2 GLY 1 2H GLY 1 10.986 17.113 -17.619
3 H3 GLY 1 3H GLY 1 11.811 15.709 -17.808
4 HA2 GLY 1 1HA GLY 1 10.037 16.356 -15.543
5 HA3 GLY 1 2HA GLY 1 9.625 15.276 -16.890
6 H SER 2 H SER 2 9.478 14.394 -14.270
7 HA SER 2 HA SER 2 11.806 13.063 -13.290
8 HB2 SER 2 1HB SER 2 8.880 12.357 -12.838
9 HB3 SER 2 2HB SER 2 10.248 11.860 -11.829
10 HG SER 2 HG SER 2 10.602 14.045 -11.300
11 H SER 3 H SER 3 12.507 10.930 -13.390
12 HA SER 3 HA SER 3 12.241 9.560 -15.857
13 HB2 SER 3 1HB SER 3 14.177 9.384 -14.304
14 HB3 SER 3 2HB SER 3 13.180 8.401 -13.209
15 HG SER 3 HG SER 3 14.460 7.134 -14.671
16 H GLY 4 H GLY 4 10.915 7.997 -16.608
17 HA2 GLY 4 1HA GLY 4 9.067 6.654 -16.821
18 HA3 GLY 4 2HA GLY 4 9.349 6.147 -15.152
19 H SER 5 H SER 5 8.690 9.543 -15.656
20 HA SER 5 HA SER 5 7.165 10.892 -14.714
21 HB2 SER 5 1HB SER 5 5.116 8.898 -15.722
22 HB3 SER 5 2HB SER 5 4.802 10.571 -15.226
23 HG SER 5 HG SER 5 5.069 10.359 -17.506
24 H SER 6 H SER 6 8.398 9.058 -12.931
25 HA SER 6 HA SER 6 6.629 7.793 -11.128
26 HB2 SER 6 1HB SER 6 9.413 8.898 -10.593
27 HB3 SER 6 2HB SER 6 8.531 7.766 -9.554
28 HG SER 6 HG SER 6 9.583 7.367 -12.147
29 H GLY 7 H GLY 7 5.828 8.263 -9.117
30 HA2 GLY 7 1HA GLY 7 6.073 10.855 -7.795
31 HA3 GLY 7 2HA GLY 7 4.529 10.631 -8.631
32 H GLU 8 H GLU 8 6.582 8.336 -6.791
33 HA GLU 8 HA GLU 8 4.222 7.111 -5.640
34 HB2 GLU 8 1HB GLU 8 7.157 6.403 -5.394
35 HB3 GLU 8 2HB GLU 8 5.815 5.431 -4.767
36 HG2 GLU 8 1HG GLU 8 4.877 5.224 -7.046
37 HG3 GLU 8 2HG GLU 8 6.227 6.149 -7.704
38 H LYS 9 H LYS 9 3.735 9.230 -4.552
39 HA LYS 9 HA LYS 9 5.209 9.951 -2.161
40 HB2 LYS 9 1HB LYS 9 2.588 10.954 -3.349
41 HB3 LYS 9 2HB LYS 9 3.387 11.685 -1.952
42 HG2 LYS 9 1HG LYS 9 5.394 12.165 -3.301
43 HG3 LYS 9 2HG LYS 9 4.621 11.461 -4.732
44 HD2 LYS 9 1HD LYS 9 2.792 13.126 -4.573
45 HD3 LYS 9 2HD LYS 9 3.576 13.875 -3.178
46 HE2 LYS 9 1HE LYS 9 4.820 13.615 -5.958
47 HE3 LYS 9 2HE LYS 9 3.950 15.040 -5.386
48 HZ1 LYS 9 3HZ LYS 9 6.324 15.323 -5.084
49 HZ2 LYS 9 1HZ LYS 9 6.445 13.982 -4.165
50 HZ3 LYS 9 2HZ LYS 9 5.613 15.280 -3.618
51 H PHE 10 H PHE 10 2.931 7.544 -2.494
52 HA PHE 10 HA PHE 10 1.941 7.812 0.318
53 HB2 PHE 10 1HB PHE 10 0.894 6.018 -1.892
54 HB3 PHE 10 2HB PHE 10 0.211 6.231 -0.291
55 HD1 PHE 10 1HD PHE 10 -0.880 8.391 0.368
56 HD2 PHE 10 2HD PHE 10 0.500 7.659 -3.644
57 HE1 PHE 10 1HE PHE 10 -2.273 10.277 -0.456
58 HE2 PHE 10 2HE PHE 10 -0.913 9.530 -4.476
59 HZ PHE 10 HZ PHE 10 -2.301 10.841 -2.880
60 H ALA 11 H ALA 11 2.266 6.164 1.830
61 HA ALA 11 HA ALA 11 4.111 3.945 1.101
62 HB1 ALA 11 1HB ALA 11 5.460 5.899 1.823
63 HB2 ALA 11 2HB ALA 11 4.561 5.941 3.355
64 HB3 ALA 11 3HB ALA 11 5.582 4.540 2.961
65 H CYS 12 H CYS 12 4.038 2.136 2.330
66 HA CYS 12 HA CYS 12 1.643 1.551 3.836
67 HB2 CYS 12 1HB CYS 12 2.747 0.019 2.292
68 HB3 CYS 12 2HB CYS 12 4.196 0.003 3.306
69 H ASP 13 H ASP 13 1.414 0.966 5.933
70 HA ASP 13 HA ASP 13 3.197 2.299 7.896
71 HB2 ASP 13 1HB ASP 13 0.711 2.684 7.848
72 HB3 ASP 13 2HB ASP 13 0.482 0.992 8.291
73 H TYR 14 H TYR 14 2.743 -0.809 6.591
74 HA TYR 14 HA TYR 14 3.651 -2.229 9.066
75 HB2 TYR 14 1HB TYR 14 2.225 -3.332 6.645
76 HB3 TYR 14 2HB TYR 14 2.535 -4.169 8.152
77 HD1 TYR 14 2HD TYR 14 1.282 -3.494 10.242
78 HD2 TYR 14 1HD TYR 14 0.331 -1.878 6.355
79 HE1 TYR 14 2HE TYR 14 -0.947 -2.757 11.086
80 HE2 TYR 14 1HE TYR 14 -1.893 -1.147 7.199
81 HH TYR 14 HH TYR 14 -3.314 -1.058 8.997
82 H CYS 15 H CYS 15 4.604 -1.532 5.771
83 HA CYS 15 HA CYS 15 7.138 -2.944 6.129
84 HB2 CYS 15 1HB CYS 15 6.983 -4.351 4.214
85 HB3 CYS 15 2HB CYS 15 5.583 -4.681 5.222
86 H SER 16 H SER 16 8.374 -2.705 3.848
87 HA SER 16 HA SER 16 8.629 0.183 3.510
88 HB2 SER 16 1HB SER 16 10.374 -2.035 2.385
89 HB3 SER 16 2HB SER 16 10.770 -0.307 2.445
90 HG SER 16 HG SER 16 11.721 -1.479 4.180
91 H PHE 17 H PHE 17 6.351 -1.055 2.253
92 HA PHE 17 HA PHE 17 6.738 -0.832 -0.660
93 HB2 PHE 17 1HB PHE 17 5.188 -2.478 0.174
94 HB3 PHE 17 2HB PHE 17 4.306 -1.263 1.085
95 HD1 PHE 17 2HD PHE 17 4.933 -2.636 -2.299
96 HD2 PHE 17 1HD PHE 17 2.688 0.221 0.021
97 HE1 PHE 17 2HE PHE 17 3.362 -2.317 -4.199
98 HE2 PHE 17 1HE PHE 17 1.117 0.528 -1.874
99 HZ PHE 17 HZ PHE 17 1.452 -0.738 -3.988
100 H THR 18 H THR 18 6.200 0.830 -1.964
101 HA THR 18 HA THR 18 4.717 3.165 -0.923
102 HB THR 18 HB THR 18 6.190 4.726 -2.149
103 HG1 THR 18 1HG THR 18 8.259 3.985 -2.737
104 HG21 THR 18 3HG2 THR 18 6.515 4.348 0.295
105 HG22 THR 18 1HG2 THR 18 7.999 4.829 -0.540
106 HG23 THR 18 2HG2 THR 18 7.753 3.130 -0.073
107 H CYS 19 H CYS 19 3.660 4.433 -2.533
108 HA CYS 19 HA CYS 19 3.482 3.378 -5.272
109 HB2 CYS 19 1HB CYS 19 1.984 1.963 -3.712
110 HB3 CYS 19 2HB CYS 19 0.969 3.407 -3.543
111 HG CYS 19 HG CYS 19 1.889 1.692 -6.247
112 H LEU 20 H LEU 20 1.988 4.643 -6.624
113 HA LEU 20 HA LEU 20 1.995 7.514 -5.921
114 HB2 LEU 20 1HB LEU 20 1.972 8.014 -8.162
115 HB3 LEU 20 2HB LEU 20 3.064 6.651 -8.031
116 HG LEU 20 HG LEU 20 0.204 6.628 -9.111
117 HD11 LEU 20 1HD1 LEU 20 2.892 6.167 -10.467
118 HD12 LEU 20 2HD1 LEU 20 1.912 7.647 -10.578
119 HD13 LEU 20 3HD1 LEU 20 1.294 6.128 -11.246
120 HD21 LEU 20 3HD2 LEU 20 2.167 4.309 -8.859
121 HD22 LEU 20 1HD2 LEU 20 0.685 4.291 -9.835
122 HD23 LEU 20 2HD2 LEU 20 0.559 4.449 -8.088
123 H SER 21 H SER 21 -0.163 5.205 -5.294
124 HA SER 21 HA SER 21 -2.418 7.133 -5.335
125 HB2 SER 21 1HB SER 21 -2.854 5.868 -7.314
126 HB3 SER 21 2HB SER 21 -2.502 4.334 -6.498
127 HG SER 21 HG SER 21 -4.809 5.001 -6.758
128 H LYS 22 H LYS 22 -3.499 7.184 -3.492
129 HA LYS 22 HA LYS 22 -2.981 5.417 -1.258
130 HB2 LYS 22 1HB LYS 22 -4.741 6.648 -0.119
131 HB3 LYS 22 2HB LYS 22 -3.593 7.725 -0.899
132 HG2 LYS 22 1HG LYS 22 -5.215 8.082 -2.776
133 HG3 LYS 22 2HG LYS 22 -6.376 7.031 -1.941
134 HD2 LYS 22 1HD LYS 22 -6.378 8.577 -0.001
135 HD3 LYS 22 2HD LYS 22 -5.209 9.625 -0.835
136 HE2 LYS 22 1HE LYS 22 -6.834 9.959 -2.686
137 HE3 LYS 22 2HE LYS 22 -7.998 8.917 -1.857
138 HZ1 LYS 22 3HZ LYS 22 -6.954 11.487 -0.788
139 HZ2 LYS 22 1HZ LYS 22 -8.029 10.523 -0.021
140 HZ3 LYS 22 2HZ LYS 22 -8.443 11.262 -1.416
141 H GLY 23 H GLY 23 -5.274 5.279 -3.901
142 HA2 GLY 23 1HA GLY 23 -7.081 3.306 -2.745
143 HA3 GLY 23 2HA GLY 23 -6.888 3.712 -4.459
144 H HIS 24 H HIS 24 -4.206 3.139 -4.915
145 HA HIS 24 HA HIS 24 -4.139 0.253 -4.995
146 HB2 HIS 24 1HB HIS 24 -3.123 1.837 -6.654
147 HB3 HIS 24 2HB HIS 24 -1.876 2.210 -5.469
148 HD1 HIS 24 1HD HIS 24 -1.671 -1.106 -4.679
149 HD2 HIS 24 2HD HIS 24 -1.288 0.880 -8.368
150 HE1 HIS 24 1HE HIS 24 -0.293 -2.647 -6.183
151 H LEU 25 H LEU 25 -2.621 2.659 -2.787
152 HA LEU 25 HA LEU 25 -1.166 0.757 -1.238
153 HB2 LEU 25 1HB LEU 25 -0.778 3.176 -1.120
154 HB3 LEU 25 2HB LEU 25 -2.399 3.421 -0.463
155 HG LEU 25 HG LEU 25 -1.811 2.175 1.577
156 HD11 LEU 25 1HD1 LEU 25 -0.088 0.633 0.693
157 HD12 LEU 25 2HD1 LEU 25 0.532 1.582 2.030
158 HD13 LEU 25 3HD1 LEU 25 0.989 2.016 0.369
159 HD21 LEU 25 3HD2 LEU 25 0.257 4.305 0.951
160 HD22 LEU 25 1HD2 LEU 25 -0.355 3.826 2.548
161 HD23 LEU 25 2HD2 LEU 25 -1.434 4.636 1.404
162 H LYS 26 H LYS 26 -4.607 1.836 -0.924
163 HA LYS 26 HA LYS 26 -5.174 0.132 1.324
164 HB2 LYS 26 1HB LYS 26 -6.676 1.939 0.637
165 HB3 LYS 26 2HB LYS 26 -7.058 1.093 -0.869
166 HG2 LYS 26 1HG LYS 26 -8.092 -0.749 0.351
167 HG3 LYS 26 2HG LYS 26 -7.563 -0.073 1.907
168 HD2 LYS 26 1HD LYS 26 -9.023 1.877 1.594
169 HD3 LYS 26 2HD LYS 26 -9.442 1.336 -0.033
170 HE2 LYS 26 1HE LYS 26 -11.270 0.840 1.435
171 HE3 LYS 26 2HE LYS 26 -10.557 -0.673 0.880
172 HZ1 LYS 26 3HZ LYS 26 -9.873 0.524 3.514
173 HZ2 LYS 26 1HZ LYS 26 -9.602 -1.032 3.026
174 HZ3 LYS 26 2HZ LYS 26 -11.104 -0.526 3.320
175 H VAL 27 H VAL 27 -5.428 -0.558 -2.213
176 HA VAL 27 HA VAL 27 -6.219 -3.279 -1.936
177 HB VAL 27 HB VAL 27 -4.591 -1.929 -4.115
178 HG11 VAL 27 1HG1 VAL 27 -5.846 -4.708 -4.124
179 HG12 VAL 27 2HG1 VAL 27 -5.245 -3.851 -5.561
180 HG13 VAL 27 3HG1 VAL 27 -4.118 -4.323 -4.293
181 HG21 VAL 27 3HG2 VAL 27 -6.953 -1.141 -3.808
182 HG22 VAL 27 1HG2 VAL 27 -6.716 -1.979 -5.343
183 HG23 VAL 27 2HG2 VAL 27 -7.512 -2.812 -3.989
184 H HIS 28 H HIS 28 -2.887 -1.926 -1.795
185 HA HIS 28 HA HIS 28 -1.540 -4.428 -1.446
186 HB2 HIS 28 1HB HIS 28 -0.282 -2.468 -1.950
187 HB3 HIS 28 2HB HIS 28 -0.909 -1.593 -0.567
188 HD1 HIS 28 1HD HIS 28 1.534 -4.477 -1.305
189 HD2 HIS 28 2HD HIS 28 0.416 -1.750 1.689
190 HE1 HIS 28 1HE HIS 28 3.247 -4.744 0.549
191 H ILE 29 H ILE 29 -2.857 -2.196 1.088
192 HA ILE 29 HA ILE 29 -2.153 -3.894 3.288
193 HB ILE 29 HB ILE 29 -4.219 -1.686 3.011
194 HG12 ILE 29 1HG1 ILE 29 -1.497 -1.662 4.404
195 HG13 ILE 29 2HG1 ILE 29 -1.708 -1.170 2.731
196 HG21 ILE 29 1HG2 ILE 29 -4.242 -1.597 5.506
197 HG22 ILE 29 2HG2 ILE 29 -4.890 -3.114 4.911
198 HG23 ILE 29 3HG2 ILE 29 -3.235 -3.059 5.560
199 HD11 ILE 29 3HD1 ILE 29 -2.953 0.201 5.137
200 HD12 ILE 29 1HD1 ILE 29 -1.665 0.800 4.082
201 HD13 ILE 29 2HD1 ILE 29 -3.306 0.603 3.438
202 H GLU 30 H GLU 30 -5.196 -3.681 1.437
203 HA GLU 30 HA GLU 30 -6.706 -5.550 2.981
204 HB2 GLU 30 1HB GLU 30 -6.922 -4.649 0.089
205 HB3 GLU 30 2HB GLU 30 -8.133 -5.641 0.874
206 HG2 GLU 30 1HG GLU 30 -7.350 -2.848 1.801
207 HG3 GLU 30 2HG GLU 30 -8.707 -3.218 0.746
208 H ARG 31 H ARG 31 -4.119 -6.241 0.784
209 HA ARG 31 HA ARG 31 -5.024 -9.106 0.521
210 HB2 ARG 31 1HB ARG 31 -3.328 -7.426 -1.370
211 HB3 ARG 31 2HB ARG 31 -3.677 -9.136 -1.571
212 HG2 ARG 31 1HG ARG 31 -5.725 -6.874 -1.628
213 HG3 ARG 31 2HG ARG 31 -5.097 -7.744 -3.020
214 HD2 ARG 31 1HD ARG 31 -6.792 -8.922 -0.779
215 HD3 ARG 31 2HD ARG 31 -7.356 -8.477 -2.393
216 HE ARG 31 HE ARG 31 -5.280 -10.260 -2.872
217 HH11 ARG 31 2HH1 ARG 31 -8.332 -10.492 -1.169
218 HH12 ARG 31 1HH1 ARG 31 -8.480 -12.200 -1.480
219 HH21 ARG 31 2HH2 ARG 31 -5.523 -12.443 -3.221
220 HH22 ARG 31 1HH2 ARG 31 -6.929 -13.267 -2.614
221 H VAL 32 H VAL 32 -2.229 -7.032 1.201
222 HA VAL 32 HA VAL 32 -0.517 -9.397 1.616
223 HB VAL 32 HB VAL 32 0.139 -6.435 1.772
224 HG11 VAL 32 1HG1 VAL 32 1.958 -8.878 1.676
225 HG12 VAL 32 2HG1 VAL 32 2.490 -7.188 1.533
226 HG13 VAL 32 3HG1 VAL 32 1.776 -7.755 3.041
227 HG21 VAL 32 3HG2 VAL 32 0.557 -8.495 -0.448
228 HG22 VAL 32 1HG2 VAL 32 -0.510 -7.075 -0.519
229 HG23 VAL 32 2HG2 VAL 32 1.238 -6.857 -0.442
230 H HIS 33 H HIS 33 -1.922 -6.782 3.619
231 HA HIS 33 HA HIS 33 -0.610 -7.978 6.019
232 HB2 HIS 33 1HB HIS 33 -1.793 -5.225 5.581
233 HB3 HIS 33 2HB HIS 33 -1.021 -5.797 7.063
234 HD1 HIS 33 1HD HIS 33 1.628 -6.990 6.294
235 HD2 HIS 33 2HD HIS 33 -0.121 -3.828 4.154
236 HE1 HIS 33 1HE HIS 33 3.511 -5.938 4.960
237 H LYS 34 H LYS 34 -3.871 -7.088 4.859
238 HA LYS 34 HA LYS 34 -5.156 -8.331 7.213
239 HB2 LYS 34 1HB LYS 34 -6.287 -7.180 4.643
240 HB3 LYS 34 2HB LYS 34 -7.254 -7.878 5.952
241 HG2 LYS 34 1HG LYS 34 -6.357 -6.217 7.550
242 HG3 LYS 34 2HG LYS 34 -5.358 -5.509 6.275
243 HD2 LYS 34 1HD LYS 34 -7.315 -4.134 6.604
244 HD3 LYS 34 2HD LYS 34 -7.375 -4.885 5.009
245 HE2 LYS 34 1HE LYS 34 -8.913 -6.658 5.994
246 HE3 LYS 34 2HE LYS 34 -8.930 -5.729 7.501
247 HZ1 LYS 34 3HZ LYS 34 -9.836 -4.773 4.835
248 HZ2 LYS 34 1HZ LYS 34 -9.851 -3.853 6.189
249 HZ3 LYS 34 2HZ LYS 34 -10.825 -5.170 6.083
250 H LYS 35 H LYS 35 -3.417 -10.075 6.272
251 HA LYS 35 HA LYS 35 -4.650 -12.042 4.438
252 HB2 LYS 35 1HB LYS 35 -2.295 -11.369 4.204
253 HB3 LYS 35 2HB LYS 35 -1.941 -11.958 5.833
254 HG2 LYS 35 1HG LYS 35 -2.532 -14.270 5.122
255 HG3 LYS 35 2HG LYS 35 -2.900 -13.668 3.492
256 HD2 LYS 35 1HD LYS 35 -0.549 -12.931 3.232
257 HD3 LYS 35 2HD LYS 35 -0.188 -13.474 4.886
258 HE2 LYS 35 1HE LYS 35 -0.839 -15.798 4.250
259 HE3 LYS 35 2HE LYS 35 -1.152 -15.252 2.598
260 HZ1 LYS 35 3HZ LYS 35 1.067 -16.216 2.809
261 HZ2 LYS 35 1HZ LYS 35 1.490 -15.140 3.958
262 HZ3 LYS 35 2HZ LYS 35 1.204 -14.635 2.429
263 H ILE 36 H ILE 36 -3.590 -11.959 7.843
264 HA ILE 36 HA ILE 36 -4.424 -14.702 8.321
265 HB ILE 36 HB ILE 36 -2.437 -13.711 9.336
266 HG12 ILE 36 1HG1 ILE 36 -4.452 -14.611 11.434
267 HG13 ILE 36 2HG1 ILE 36 -3.623 -15.683 10.303
268 HG21 ILE 36 1HG2 ILE 36 -2.511 -12.127 11.167
269 HG22 ILE 36 2HG2 ILE 36 -3.345 -11.406 9.799
270 HG23 ILE 36 3HG2 ILE 36 -4.280 -12.087 11.146
271 HD11 ILE 36 3HD1 ILE 36 -1.425 -14.948 11.256
272 HD12 ILE 36 1HD1 ILE 36 -2.314 -14.004 12.478
273 HD13 ILE 36 2HD1 ILE 36 -2.484 -15.764 12.424
274 H LYS 37 H LYS 37 -5.861 -11.556 8.962
275 HA LYS 37 HA LYS 37 -8.457 -12.780 9.706
276 HB2 LYS 37 1HB LYS 37 -7.001 -10.666 11.357
277 HB3 LYS 37 2HB LYS 37 -8.716 -11.057 11.508
278 HG2 LYS 37 1HG LYS 37 -8.122 -13.409 12.120
279 HG3 LYS 37 2HG LYS 37 -6.413 -12.994 12.003
280 HD2 LYS 37 1HD LYS 37 -7.035 -12.969 14.326
281 HD3 LYS 37 2HD LYS 37 -6.640 -11.339 13.801
282 HE2 LYS 37 1HE LYS 37 -8.549 -11.215 15.246
283 HE3 LYS 37 2HE LYS 37 -9.075 -10.810 13.615
284 HZ1 LYS 37 3HZ LYS 37 -9.440 -13.459 14.919
285 HZ2 LYS 37 1HZ LYS 37 -9.963 -13.080 13.416
286 HZ3 LYS 37 2HZ LYS 37 -10.611 -12.344 14.718
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 8.052 20.086 11.557
2 H2 GLY 1 2H GLY 1 9.190 18.908 11.481
3 H3 GLY 1 3H GLY 1 8.161 18.969 12.753
4 HA2 GLY 1 1HA GLY 1 6.276 18.478 11.345
5 HA3 GLY 1 2HA GLY 1 7.383 18.424 9.960
6 H SER 2 H SER 2 5.728 16.283 10.586
7 HA SER 2 HA SER 2 7.694 14.131 11.019
8 HB2 SER 2 1HB SER 2 6.741 14.625 13.283
9 HB3 SER 2 2HB SER 2 5.127 14.251 12.650
10 HG SER 2 HG SER 2 6.171 12.450 13.686
11 H SER 3 H SER 3 6.963 12.083 10.266
12 HA SER 3 HA SER 3 6.191 10.732 8.630
13 HB2 SER 3 1HB SER 3 3.502 11.895 9.404
14 HB3 SER 3 2HB SER 3 3.778 10.367 8.553
15 HG SER 3 HG SER 3 4.744 11.028 11.157
16 H GLY 4 H GLY 4 6.897 13.510 7.680
17 HA2 GLY 4 1HA GLY 4 6.683 13.140 4.928
18 HA3 GLY 4 2HA GLY 4 5.279 14.116 5.370
19 H SER 5 H SER 5 7.443 14.934 3.665
20 HA SER 5 HA SER 5 9.158 16.793 5.141
21 HB2 SER 5 1HB SER 5 9.999 17.335 2.851
22 HB3 SER 5 2HB SER 5 10.100 15.624 3.291
23 HG SER 5 HG SER 5 8.422 16.893 1.422
24 H SER 6 H SER 6 6.364 17.063 2.970
25 HA SER 6 HA SER 6 5.818 19.834 3.940
26 HB2 SER 6 1HB SER 6 5.372 20.538 1.612
27 HB3 SER 6 2HB SER 6 7.058 20.058 1.858
28 HG SER 6 HG SER 6 6.160 19.163 -0.068
29 H GLY 7 H GLY 7 4.576 16.764 3.518
30 HA2 GLY 7 1HA GLY 7 1.924 17.256 4.249
31 HA3 GLY 7 2HA GLY 7 1.949 17.213 2.481
32 H GLU 8 H GLU 8 0.455 15.317 3.222
33 HA GLU 8 HA GLU 8 1.734 12.868 4.095
34 HB2 GLU 8 1HB GLU 8 -0.397 11.807 3.705
35 HB3 GLU 8 2HB GLU 8 -0.600 13.317 4.588
36 HG2 GLU 8 1HG GLU 8 -1.298 14.442 2.454
37 HG3 GLU 8 2HG GLU 8 -1.144 12.896 1.615
38 H LYS 9 H LYS 9 2.049 10.938 2.972
39 HA LYS 9 HA LYS 9 2.244 10.992 -0.001
40 HB2 LYS 9 1HB LYS 9 4.508 10.158 1.869
41 HB3 LYS 9 2HB LYS 9 4.499 9.986 0.110
42 HG2 LYS 9 1HG LYS 9 4.334 12.473 -0.116
43 HG3 LYS 9 2HG LYS 9 4.434 12.615 1.651
44 HD2 LYS 9 1HD LYS 9 6.653 11.457 1.589
45 HD3 LYS 9 2HD LYS 9 6.574 11.472 -0.190
46 HE2 LYS 9 1HE LYS 9 6.385 13.955 -0.154
47 HE3 LYS 9 2HE LYS 9 6.416 13.933 1.610
48 HZ1 LYS 9 3HZ LYS 9 8.642 13.158 -0.193
49 HZ2 LYS 9 1HZ LYS 9 8.673 12.901 1.423
50 HZ3 LYS 9 2HZ LYS 9 8.596 14.426 0.852
51 H PHE 10 H PHE 10 2.261 8.899 -0.974
52 HA PHE 10 HA PHE 10 0.657 6.980 0.546
53 HB2 PHE 10 1HB PHE 10 1.634 6.667 -2.287
54 HB3 PHE 10 2HB PHE 10 0.245 5.909 -1.522
55 HD1 PHE 10 1HD PHE 10 -1.225 8.173 -0.305
56 HD2 PHE 10 2HD PHE 10 0.879 7.934 -4.064
57 HE1 PHE 10 1HE PHE 10 -2.639 9.996 -1.225
58 HE2 PHE 10 2HE PHE 10 -0.573 9.716 -4.991
59 HZ PHE 10 HZ PHE 10 -2.331 10.756 -3.570
60 H ALA 11 H ALA 11 1.922 6.014 2.091
61 HA ALA 11 HA ALA 11 3.902 4.024 1.122
62 HB1 ALA 11 1HB ALA 11 5.167 6.010 1.901
63 HB2 ALA 11 2HB ALA 11 4.345 5.911 3.473
64 HB3 ALA 11 3HB ALA 11 5.429 4.603 2.950
65 H CYS 12 H CYS 12 4.044 2.153 2.294
66 HA CYS 12 HA CYS 12 1.690 1.313 3.741
67 HB2 CYS 12 1HB CYS 12 2.957 -0.033 2.133
68 HB3 CYS 12 2HB CYS 12 4.359 -0.025 3.213
69 H ASP 13 H ASP 13 1.498 0.658 5.842
70 HA ASP 13 HA ASP 13 3.301 1.936 7.836
71 HB2 ASP 13 1HB ASP 13 0.823 2.387 7.818
72 HB3 ASP 13 2HB ASP 13 0.560 0.695 8.234
73 H TYR 14 H TYR 14 2.914 -1.061 6.378
74 HA TYR 14 HA TYR 14 3.740 -2.633 8.794
75 HB2 TYR 14 1HB TYR 14 2.310 -3.613 6.326
76 HB3 TYR 14 2HB TYR 14 2.542 -4.479 7.832
77 HD1 TYR 14 2HD TYR 14 1.193 -3.873 9.856
78 HD2 TYR 14 1HD TYR 14 0.561 -1.949 6.046
79 HE1 TYR 14 2HE TYR 14 -0.977 -2.947 10.674
80 HE2 TYR 14 1HE TYR 14 -1.592 -1.017 6.868
81 HH TYR 14 HH TYR 14 -3.001 -0.787 8.650
82 H CYS 15 H CYS 15 4.711 -1.753 5.571
83 HA CYS 15 HA CYS 15 7.265 -3.120 5.914
84 HB2 CYS 15 1HB CYS 15 7.264 -4.320 3.856
85 HB3 CYS 15 2HB CYS 15 5.853 -4.825 4.774
86 H SER 16 H SER 16 8.591 -2.586 3.721
87 HA SER 16 HA SER 16 8.729 0.332 3.734
88 HB2 SER 16 1HB SER 16 10.962 -0.023 2.677
89 HB3 SER 16 2HB SER 16 10.752 -0.874 4.212
90 HG SER 16 HG SER 16 11.693 -2.212 2.583
91 H PHE 17 H PHE 17 6.612 -0.905 2.206
92 HA PHE 17 HA PHE 17 7.159 -0.394 -0.628
93 HB2 PHE 17 1HB PHE 17 5.652 -2.171 -0.023
94 HB3 PHE 17 2HB PHE 17 4.636 -1.070 0.893
95 HD1 PHE 17 2HD PHE 17 5.853 -1.786 -2.585
96 HD2 PHE 17 1HD PHE 17 2.784 0.005 -0.140
97 HE1 PHE 17 2HE PHE 17 4.451 -1.418 -4.602
98 HE2 PHE 17 1HE PHE 17 1.372 0.334 -2.153
99 HZ PHE 17 HZ PHE 17 2.212 -0.359 -4.389
100 H THR 18 H THR 18 6.652 1.308 -1.848
101 HA THR 18 HA THR 18 5.041 3.568 -0.765
102 HB THR 18 HB THR 18 6.439 5.118 -2.143
103 HG1 THR 18 1HG THR 18 7.517 3.585 -3.433
104 HG21 THR 18 3HG2 THR 18 7.941 3.684 0.090
105 HG22 THR 18 1HG2 THR 18 6.723 4.961 0.309
106 HG23 THR 18 2HG2 THR 18 8.249 5.327 -0.514
107 H CYS 19 H CYS 19 3.661 4.558 -2.200
108 HA CYS 19 HA CYS 19 3.078 2.944 -4.655
109 HB2 CYS 19 1HB CYS 19 1.716 2.644 -2.462
110 HB3 CYS 19 2HB CYS 19 1.020 4.226 -2.846
111 HG CYS 19 HG CYS 19 -0.743 2.738 -3.736
112 H LEU 20 H LEU 20 1.642 3.941 -6.214
113 HA LEU 20 HA LEU 20 2.185 6.823 -6.723
114 HB2 LEU 20 1HB LEU 20 1.235 4.491 -8.418
115 HB3 LEU 20 2HB LEU 20 0.982 6.150 -8.927
116 HG LEU 20 HG LEU 20 3.399 6.609 -8.863
117 HD11 LEU 20 1HD1 LEU 20 4.995 4.681 -8.844
118 HD12 LEU 20 2HD1 LEU 20 3.680 3.631 -8.270
119 HD13 LEU 20 3HD1 LEU 20 4.265 4.985 -7.271
120 HD21 LEU 20 3HD2 LEU 20 3.944 5.318 -10.882
121 HD22 LEU 20 1HD2 LEU 20 2.269 5.888 -10.936
122 HD23 LEU 20 2HD2 LEU 20 2.613 4.188 -10.539
123 H SER 21 H SER 21 -0.315 4.903 -5.352
124 HA SER 21 HA SER 21 -2.166 7.197 -5.295
125 HB2 SER 21 1HB SER 21 -2.843 6.126 -7.362
126 HB3 SER 21 2HB SER 21 -2.876 4.533 -6.584
127 HG SER 21 HG SER 21 -4.959 5.660 -6.820
128 H LYS 22 H LYS 22 -3.511 7.194 -3.547
129 HA LYS 22 HA LYS 22 -3.110 5.430 -1.311
130 HB2 LYS 22 1HB LYS 22 -3.910 7.792 -1.214
131 HB3 LYS 22 2HB LYS 22 -5.463 7.282 -1.881
132 HG2 LYS 22 1HG LYS 22 -5.857 5.835 0.071
133 HG3 LYS 22 2HG LYS 22 -4.253 6.204 0.715
134 HD2 LYS 22 1HD LYS 22 -6.478 8.252 0.295
135 HD3 LYS 22 2HD LYS 22 -6.129 7.432 1.824
136 HE2 LYS 22 1HE LYS 22 -3.819 8.379 1.799
137 HE3 LYS 22 2HE LYS 22 -4.204 9.254 0.312
138 HZ1 LYS 22 3HZ LYS 22 -4.476 10.663 2.258
139 HZ2 LYS 22 1HZ LYS 22 -5.572 9.645 2.918
140 HZ3 LYS 22 2HZ LYS 22 -5.931 10.453 1.539
141 H GLY 23 H GLY 23 -5.337 5.290 -4.056
142 HA2 GLY 23 1HA GLY 23 -7.148 3.294 -3.017
143 HA3 GLY 23 2HA GLY 23 -6.865 3.682 -4.719
144 H HIS 24 H HIS 24 -4.208 3.027 -5.097
145 HA HIS 24 HA HIS 24 -4.253 0.122 -5.064
146 HB2 HIS 24 1HB HIS 24 -3.311 1.429 -6.913
147 HB3 HIS 24 2HB HIS 24 -2.056 2.062 -5.853
148 HD1 HIS 24 1HD HIS 24 0.082 0.521 -5.614
149 HD2 HIS 24 2HD HIS 24 -3.271 -1.357 -7.323
150 HE1 HIS 24 1HE HIS 24 0.874 -1.778 -6.403
151 H LEU 25 H LEU 25 -2.716 2.576 -2.983
152 HA LEU 25 HA LEU 25 -1.126 0.750 -1.440
153 HB2 LEU 25 1HB LEU 25 -0.800 3.174 -1.405
154 HB3 LEU 25 2HB LEU 25 -2.416 3.406 -0.744
155 HG LEU 25 HG LEU 25 -1.776 2.289 1.351
156 HD11 LEU 25 1HD1 LEU 25 1.005 2.109 0.101
157 HD12 LEU 25 2HD1 LEU 25 -0.040 0.738 0.557
158 HD13 LEU 25 3HD1 LEU 25 0.604 1.797 1.806
159 HD21 LEU 25 3HD2 LEU 25 -0.286 4.041 2.168
160 HD22 LEU 25 1HD2 LEU 25 -1.496 4.727 1.073
161 HD23 LEU 25 2HD2 LEU 25 0.166 4.458 0.497
162 H LYS 26 H LYS 26 -4.552 1.831 -1.059
163 HA LYS 26 HA LYS 26 -5.125 0.255 1.256
164 HB2 LYS 26 1HB LYS 26 -6.616 2.020 0.426
165 HB3 LYS 26 2HB LYS 26 -6.967 1.083 -1.031
166 HG2 LYS 26 1HG LYS 26 -8.027 -0.688 0.312
167 HG3 LYS 26 2HG LYS 26 -7.601 0.167 1.809
168 HD2 LYS 26 1HD LYS 26 -8.997 2.083 1.118
169 HD3 LYS 26 2HD LYS 26 -9.432 1.262 -0.386
170 HE2 LYS 26 1HE LYS 26 -10.005 0.140 2.398
171 HE3 LYS 26 2HE LYS 26 -11.131 1.177 1.519
172 HZ1 LYS 26 3HZ LYS 26 -11.173 -0.501 -0.266
173 HZ2 LYS 26 1HZ LYS 26 -11.678 -1.128 1.153
174 HZ3 LYS 26 2HZ LYS 26 -10.205 -1.507 0.600
175 H VAL 27 H VAL 27 -5.323 -0.641 -2.219
176 HA VAL 27 HA VAL 27 -6.131 -3.353 -1.788
177 HB VAL 27 HB VAL 27 -4.569 -2.103 -4.077
178 HG11 VAL 27 1HG1 VAL 27 -5.889 -4.840 -3.934
179 HG12 VAL 27 2HG1 VAL 27 -5.262 -4.075 -5.410
180 HG13 VAL 27 3HG1 VAL 27 -4.146 -4.530 -4.122
181 HG21 VAL 27 3HG2 VAL 27 -6.909 -1.266 -3.749
182 HG22 VAL 27 1HG2 VAL 27 -6.733 -2.192 -5.240
183 HG23 VAL 27 2HG2 VAL 27 -7.496 -2.934 -3.816
184 H HIS 28 H HIS 28 -2.791 -1.982 -1.957
185 HA HIS 28 HA HIS 28 -1.383 -4.413 -1.570
186 HB2 HIS 28 1HB HIS 28 -0.222 -2.411 -2.207
187 HB3 HIS 28 2HB HIS 28 -0.763 -1.546 -0.779
188 HD1 HIS 28 1HD HIS 28 1.751 -4.296 -1.736
189 HD2 HIS 28 2HD HIS 28 0.653 -1.771 1.438
190 HE1 HIS 28 1HE HIS 28 3.567 -4.557 0.016
191 H ILE 29 H ILE 29 -2.700 -2.182 0.937
192 HA ILE 29 HA ILE 29 -1.802 -3.797 3.163
193 HB ILE 29 HB ILE 29 -3.858 -1.578 2.905
194 HG12 ILE 29 1HG1 ILE 29 -1.086 -1.556 4.191
195 HG13 ILE 29 2HG1 ILE 29 -1.365 -1.096 2.518
196 HG21 ILE 29 1HG2 ILE 29 -3.774 -1.426 5.407
197 HG22 ILE 29 2HG2 ILE 29 -4.510 -2.912 4.846
198 HG23 ILE 29 3HG2 ILE 29 -2.833 -2.934 5.445
199 HD11 ILE 29 3HD1 ILE 29 -1.237 0.901 3.822
200 HD12 ILE 29 1HD1 ILE 29 -2.907 0.711 3.251
201 HD13 ILE 29 2HD1 ILE 29 -2.488 0.345 4.942
202 H GLU 30 H GLU 30 -4.963 -3.536 1.537
203 HA GLU 30 HA GLU 30 -6.317 -5.275 3.342
204 HB2 GLU 30 1HB GLU 30 -7.242 -3.372 2.081
205 HB3 GLU 30 2HB GLU 30 -7.088 -4.291 0.574
206 HG2 GLU 30 1HG GLU 30 -8.801 -5.836 1.266
207 HG3 GLU 30 2HG GLU 30 -8.745 -5.240 2.936
208 H ARG 31 H ARG 31 -4.340 -6.105 0.615
209 HA ARG 31 HA ARG 31 -5.521 -8.866 0.517
210 HB2 ARG 31 1HB ARG 31 -4.169 -7.370 -1.759
211 HB3 ARG 31 2HB ARG 31 -4.792 -9.022 -1.798
212 HG2 ARG 31 1HG ARG 31 -7.094 -8.089 -1.237
213 HG3 ARG 31 2HG ARG 31 -6.417 -6.470 -1.459
214 HD2 ARG 31 1HD ARG 31 -7.459 -7.041 -3.529
215 HD3 ARG 31 2HD ARG 31 -5.721 -7.141 -3.786
216 HE ARG 31 HE ARG 31 -5.876 -9.424 -4.149
217 HH11 ARG 31 2HH1 ARG 31 -8.982 -8.401 -2.873
218 HH12 ARG 31 1HH1 ARG 31 -9.729 -9.932 -3.233
219 HH21 ARG 31 1HH2 ARG 31 -6.897 -11.345 -4.572
220 HH22 ARG 31 2HH2 ARG 31 -8.576 -11.547 -4.167
221 H VAL 32 H VAL 32 -3.063 -7.347 1.878
222 HA VAL 32 HA VAL 32 -1.415 -9.823 1.829
223 HB VAL 32 HB VAL 32 -0.208 -7.038 1.768
224 HG11 VAL 32 1HG1 VAL 32 1.944 -8.243 1.593
225 HG12 VAL 32 2HG1 VAL 32 1.132 -8.607 3.116
226 HG13 VAL 32 3HG1 VAL 32 1.095 -9.793 1.789
227 HG21 VAL 32 3HG2 VAL 32 -0.202 -9.223 -0.358
228 HG22 VAL 32 1HG2 VAL 32 -0.987 -7.631 -0.479
229 HG23 VAL 32 2HG2 VAL 32 0.771 -7.735 -0.407
230 H HIS 33 H HIS 33 -1.393 -6.662 3.556
231 HA HIS 33 HA HIS 33 -0.476 -7.966 5.954
232 HB2 HIS 33 1HB HIS 33 -1.391 -5.106 5.502
233 HB3 HIS 33 2HB HIS 33 -0.467 -5.696 6.884
234 HD1 HIS 33 1HD HIS 33 1.907 -7.209 5.725
235 HD2 HIS 33 2HD HIS 33 0.214 -3.806 3.939
236 HE1 HIS 33 1HE HIS 33 3.704 -6.262 4.205
237 H LYS 34 H LYS 34 -3.686 -6.934 4.935
238 HA LYS 34 HA LYS 34 -4.853 -7.836 7.535
239 HB2 LYS 34 1HB LYS 34 -6.252 -6.694 5.096
240 HB3 LYS 34 2HB LYS 34 -6.960 -6.964 6.684
241 HG2 LYS 34 1HG LYS 34 -4.765 -4.956 6.024
242 HG3 LYS 34 2HG LYS 34 -6.462 -4.592 6.323
243 HD2 LYS 34 1HD LYS 34 -6.251 -5.368 8.656
244 HD3 LYS 34 2HD LYS 34 -4.551 -5.810 8.375
245 HE2 LYS 34 1HE LYS 34 -4.017 -3.469 7.806
246 HE3 LYS 34 2HE LYS 34 -5.695 -2.999 8.110
247 HZ1 LYS 34 3HZ LYS 34 -4.173 -2.619 10.016
248 HZ2 LYS 34 1HZ LYS 34 -3.920 -4.220 10.159
249 HZ3 LYS 34 2HZ LYS 34 -5.416 -3.611 10.421
250 H LYS 35 H LYS 35 -3.988 -9.280 4.641
251 HA LYS 35 HA LYS 35 -6.086 -11.359 4.638
252 HB2 LYS 35 1HB LYS 35 -5.045 -10.449 2.546
253 HB3 LYS 35 2HB LYS 35 -3.512 -11.189 3.026
254 HG2 LYS 35 1HG LYS 35 -4.635 -13.444 2.995
255 HG3 LYS 35 2HG LYS 35 -6.146 -12.651 2.529
256 HD2 LYS 35 1HD LYS 35 -5.199 -13.518 0.519
257 HD3 LYS 35 2HD LYS 35 -4.963 -11.769 0.474
258 HE2 LYS 35 1HE LYS 35 -2.607 -12.275 1.499
259 HE3 LYS 35 2HE LYS 35 -2.925 -13.959 1.070
260 HZ1 LYS 35 3HZ LYS 35 -3.242 -13.157 -1.259
261 HZ2 LYS 35 1HZ LYS 35 -1.734 -12.845 -0.708
262 HZ3 LYS 35 2HZ LYS 35 -2.835 -11.635 -0.771
263 H ILE 36 H ILE 36 -2.634 -11.091 5.547
264 HA ILE 36 HA ILE 36 -2.527 -13.782 6.614
265 HB ILE 36 HB ILE 36 -0.530 -12.589 5.807
266 HG12 ILE 36 1HG1 ILE 36 1.033 -13.199 7.612
267 HG13 ILE 36 2HG1 ILE 36 -0.307 -13.392 8.740
268 HG21 ILE 36 1HG2 ILE 36 -1.056 -10.314 6.731
269 HG22 ILE 36 2HG2 ILE 36 -0.654 -10.912 8.349
270 HG23 ILE 36 3HG2 ILE 36 0.585 -10.867 7.081
271 HD11 ILE 36 3HD1 ILE 36 -1.160 -15.305 7.437
272 HD12 ILE 36 1HD1 ILE 36 0.072 -15.021 6.183
273 HD13 ILE 36 2HD1 ILE 36 0.551 -15.545 7.810
274 H LYS 37 H LYS 37 -2.908 -14.532 8.631
275 HA LYS 37 HA LYS 37 -3.745 -12.740 10.845
276 HB2 LYS 37 1HB LYS 37 -5.509 -14.910 9.618
277 HB3 LYS 37 2HB LYS 37 -5.804 -14.122 11.172
278 HG2 LYS 37 1HG LYS 37 -5.961 -11.912 10.020
279 HG3 LYS 37 2HG LYS 37 -5.756 -12.731 8.459
280 HD2 LYS 37 1HD LYS 37 -7.807 -14.052 8.868
281 HD3 LYS 37 2HD LYS 37 -8.035 -13.210 10.419
282 HE2 LYS 37 1HE LYS 37 -8.137 -11.035 9.217
283 HE3 LYS 37 2HE LYS 37 -7.899 -11.867 7.676
284 HZ1 LYS 37 3HZ LYS 37 -10.006 -13.037 8.059
285 HZ2 LYS 37 1HZ LYS 37 -10.250 -11.424 8.088
286 HZ3 LYS 37 2HZ LYS 37 -10.226 -12.267 9.485
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -7.717 27.635 -6.115
2 H2 GLY 1 2H GLY 1 -6.367 27.739 -5.191
3 H3 GLY 1 3H GLY 1 -7.773 27.225 -4.529
4 HA2 GLY 1 1HA GLY 1 -7.774 25.246 -5.900
5 HA3 GLY 1 2HA GLY 1 -6.247 25.800 -6.610
6 H SER 2 H SER 2 -5.720 23.542 -5.809
7 HA SER 2 HA SER 2 -4.566 23.622 -3.049
8 HB2 SER 2 1HB SER 2 -6.045 21.282 -4.314
9 HB3 SER 2 2HB SER 2 -5.187 21.257 -2.762
10 HG SER 2 HG SER 2 -7.451 21.615 -2.514
11 H SER 3 H SER 3 -2.727 22.323 -2.709
12 HA SER 3 HA SER 3 -1.414 20.958 -4.958
13 HB2 SER 3 1HB SER 3 -0.818 23.418 -5.146
14 HB3 SER 3 2HB SER 3 -0.008 23.273 -3.572
15 HG SER 3 HG SER 3 1.407 22.954 -5.389
16 H GLY 4 H GLY 4 0.706 20.017 -4.223
17 HA2 GLY 4 1HA GLY 4 2.067 18.837 -2.792
18 HA3 GLY 4 2HA GLY 4 1.301 19.653 -1.433
19 H SER 5 H SER 5 -1.411 18.635 -1.981
20 HA SER 5 HA SER 5 -1.409 16.256 -0.469
21 HB2 SER 5 1HB SER 5 -3.822 16.132 -1.136
22 HB3 SER 5 2HB SER 5 -3.308 17.706 -0.502
23 HG SER 5 HG SER 5 -4.596 17.870 -2.425
24 H SER 6 H SER 6 -1.316 16.609 -3.967
25 HA SER 6 HA SER 6 -0.994 13.639 -4.258
26 HB2 SER 6 1HB SER 6 -1.989 15.625 -6.330
27 HB3 SER 6 2HB SER 6 -1.755 13.885 -6.576
28 HG SER 6 HG SER 6 -3.939 14.422 -6.086
29 H GLY 7 H GLY 7 0.974 16.041 -3.763
30 HA2 GLY 7 1HA GLY 7 2.684 16.027 -6.163
31 HA3 GLY 7 2HA GLY 7 2.907 16.961 -4.683
32 H GLU 8 H GLU 8 2.476 14.034 -3.401
33 HA GLU 8 HA GLU 8 5.254 13.008 -3.768
34 HB2 GLU 8 1HB GLU 8 3.886 13.564 -1.102
35 HB3 GLU 8 2HB GLU 8 5.383 12.650 -1.309
36 HG2 GLU 8 1HG GLU 8 6.443 14.665 -2.353
37 HG3 GLU 8 2HG GLU 8 4.978 15.589 -2.003
38 H LYS 9 H LYS 9 5.558 10.811 -3.132
39 HA LYS 9 HA LYS 9 3.314 9.084 -3.795
40 HB2 LYS 9 1HB LYS 9 4.891 7.281 -3.739
41 HB3 LYS 9 2HB LYS 9 5.594 8.653 -4.587
42 HG2 LYS 9 1HG LYS 9 6.857 9.224 -2.437
43 HG3 LYS 9 2HG LYS 9 6.194 7.745 -1.732
44 HD2 LYS 9 1HD LYS 9 8.403 7.248 -2.467
45 HD3 LYS 9 2HD LYS 9 7.292 6.429 -3.578
46 HE2 LYS 9 1HE LYS 9 7.598 8.256 -5.234
47 HE3 LYS 9 2HE LYS 9 8.656 9.110 -4.106
48 HZ1 LYS 9 3HZ LYS 9 10.204 7.232 -4.236
49 HZ2 LYS 9 1HZ LYS 9 9.935 7.834 -5.725
50 HZ3 LYS 9 2HZ LYS 9 9.224 6.436 -5.278
51 H PHE 10 H PHE 10 2.616 7.274 -2.592
52 HA PHE 10 HA PHE 10 2.142 7.865 0.283
53 HB2 PHE 10 1HB PHE 10 0.810 5.925 -1.646
54 HB3 PHE 10 2HB PHE 10 0.388 6.124 0.049
55 HD1 PHE 10 1HD PHE 10 0.406 7.858 -3.257
56 HD2 PHE 10 2HD PHE 10 -0.969 7.949 0.830
57 HE1 PHE 10 1HE PHE 10 -1.093 9.761 -3.802
58 HE2 PHE 10 2HE PHE 10 -2.481 9.839 0.276
59 HZ PHE 10 HZ PHE 10 -2.544 10.751 -2.038
60 H ALA 11 H ALA 11 2.352 6.114 1.878
61 HA ALA 11 HA ALA 11 4.266 3.954 1.154
62 HB1 ALA 11 1HB ALA 11 5.667 4.509 3.079
63 HB2 ALA 11 2HB ALA 11 5.584 5.883 1.960
64 HB3 ALA 11 3HB ALA 11 4.632 5.902 3.461
65 H CYS 12 H CYS 12 4.088 2.086 2.249
66 HA CYS 12 HA CYS 12 1.631 1.453 3.581
67 HB2 CYS 12 1HB CYS 12 2.872 -0.024 2.079
68 HB3 CYS 12 2HB CYS 12 4.228 -0.074 3.209
69 H ASP 13 H ASP 13 1.231 0.807 5.646
70 HA ASP 13 HA ASP 13 2.818 2.127 7.766
71 HB2 ASP 13 1HB ASP 13 0.326 2.392 7.538
72 HB3 ASP 13 2HB ASP 13 0.149 0.684 7.939
73 H TYR 14 H TYR 14 2.654 -0.955 6.367
74 HA TYR 14 HA TYR 14 3.476 -2.386 8.874
75 HB2 TYR 14 1HB TYR 14 2.186 -3.465 6.367
76 HB3 TYR 14 2HB TYR 14 2.505 -4.363 7.838
77 HD1 TYR 14 2HD TYR 14 1.107 -4.022 9.859
78 HD2 TYR 14 1HD TYR 14 0.290 -1.944 6.166
79 HE1 TYR 14 2HE TYR 14 -1.181 -3.455 10.678
80 HE2 TYR 14 1HE TYR 14 -1.987 -1.369 6.991
81 HH TYR 14 HH TYR 14 -3.495 -1.552 8.709
82 H CYS 15 H CYS 15 4.539 -1.613 5.624
83 HA CYS 15 HA CYS 15 7.092 -2.983 6.070
84 HB2 CYS 15 1HB CYS 15 7.058 -4.295 4.086
85 HB3 CYS 15 2HB CYS 15 5.622 -4.699 5.012
86 H SER 16 H SER 16 8.445 -2.617 3.868
87 HA SER 16 HA SER 16 8.635 0.294 3.662
88 HB2 SER 16 1HB SER 16 10.881 -0.172 2.678
89 HB3 SER 16 2HB SER 16 10.637 -0.899 4.273
90 HG SER 16 HG SER 16 11.583 -2.370 2.768
91 H PHE 17 H PHE 17 6.562 -1.126 2.201
92 HA PHE 17 HA PHE 17 7.101 -0.723 -0.657
93 HB2 PHE 17 1HB PHE 17 5.601 -2.490 0.067
94 HB3 PHE 17 2HB PHE 17 4.571 -1.328 0.895
95 HD1 PHE 17 2HD PHE 17 5.816 -2.307 -2.509
96 HD2 PHE 17 1HD PHE 17 2.746 -0.316 -0.228
97 HE1 PHE 17 2HE PHE 17 4.421 -2.100 -4.556
98 HE2 PHE 17 1HE PHE 17 1.341 -0.144 -2.267
99 HZ PHE 17 HZ PHE 17 2.181 -1.019 -4.436
100 H THR 18 H THR 18 6.505 0.945 -1.945
101 HA THR 18 HA THR 18 4.945 3.210 -0.828
102 HB THR 18 HB THR 18 6.290 4.787 -2.175
103 HG1 THR 18 1HG THR 18 8.406 4.038 -2.764
104 HG21 THR 18 3HG2 THR 18 6.725 4.491 0.253
105 HG22 THR 18 1HG2 THR 18 8.177 4.954 -0.647
106 HG23 THR 18 2HG2 THR 18 7.957 3.268 -0.124
107 H CYS 19 H CYS 19 3.698 4.401 -2.318
108 HA CYS 19 HA CYS 19 3.048 2.974 -4.850
109 HB2 CYS 19 1HB CYS 19 1.865 2.148 -2.630
110 HB3 CYS 19 2HB CYS 19 0.864 3.597 -2.856
111 HG CYS 19 HG CYS 19 -0.277 1.370 -3.810
112 H LEU 20 H LEU 20 1.455 4.022 -6.184
113 HA LEU 20 HA LEU 20 2.058 6.873 -6.414
114 HB2 LEU 20 1HB LEU 20 0.553 4.898 -8.182
115 HB3 LEU 20 2HB LEU 20 0.755 6.590 -8.577
116 HG LEU 20 HG LEU 20 2.300 5.346 -9.848
117 HD11 LEU 20 1HD1 LEU 20 3.911 6.709 -7.655
118 HD12 LEU 20 2HD1 LEU 20 3.068 7.547 -8.980
119 HD13 LEU 20 3HD1 LEU 20 4.393 6.427 -9.338
120 HD21 LEU 20 3HD2 LEU 20 2.532 3.346 -8.367
121 HD22 LEU 20 1HD2 LEU 20 3.662 4.283 -7.352
122 HD23 LEU 20 2HD2 LEU 20 4.053 3.947 -9.043
123 H SER 21 H SER 21 -0.701 5.079 -5.234
124 HA SER 21 HA SER 21 -2.036 7.621 -4.610
125 HB2 SER 21 1HB SER 21 -4.125 7.153 -5.571
126 HB3 SER 21 2HB SER 21 -2.943 6.874 -6.855
127 HG SER 21 HG SER 21 -4.417 5.183 -6.815
128 H LYS 22 H LYS 22 -3.726 7.431 -3.013
129 HA LYS 22 HA LYS 22 -3.231 5.524 -0.931
130 HB2 LYS 22 1HB LYS 22 -4.160 7.833 -0.664
131 HB3 LYS 22 2HB LYS 22 -5.689 7.277 -1.357
132 HG2 LYS 22 1HG LYS 22 -6.007 5.718 0.522
133 HG3 LYS 22 2HG LYS 22 -4.381 6.056 1.118
134 HD2 LYS 22 1HD LYS 22 -5.996 7.241 2.490
135 HD3 LYS 22 2HD LYS 22 -4.986 8.378 1.608
136 HE2 LYS 22 1HE LYS 22 -7.209 9.233 1.564
137 HE3 LYS 22 2HE LYS 22 -6.831 8.689 -0.068
138 HZ1 LYS 22 3HZ LYS 22 -8.123 6.657 0.395
139 HZ2 LYS 22 1HZ LYS 22 -9.048 7.975 0.644
140 HZ3 LYS 22 2HZ LYS 22 -8.441 7.164 1.919
141 H GLY 23 H GLY 23 -5.579 5.500 -3.596
142 HA2 GLY 23 1HA GLY 23 -7.111 3.210 -2.718
143 HA3 GLY 23 2HA GLY 23 -7.006 3.847 -4.364
144 H HIS 24 H HIS 24 -4.239 3.541 -4.884
145 HA HIS 24 HA HIS 24 -4.050 0.699 -5.382
146 HB2 HIS 24 1HB HIS 24 -3.264 2.561 -6.860
147 HB3 HIS 24 2HB HIS 24 -1.927 2.830 -5.752
148 HD1 HIS 24 1HD HIS 24 -1.632 -0.605 -5.516
149 HD2 HIS 24 2HD HIS 24 -1.469 2.009 -8.808
150 HE1 HIS 24 1HE HIS 24 -0.344 -1.839 -7.348
151 H LEU 25 H LEU 25 -2.712 2.836 -2.848
152 HA LEU 25 HA LEU 25 -1.087 0.758 -1.647
153 HB2 LEU 25 1HB LEU 25 -0.680 3.153 -1.256
154 HB3 LEU 25 2HB LEU 25 -2.265 3.320 -0.502
155 HG LEU 25 HG LEU 25 -1.593 1.833 1.341
156 HD11 LEU 25 1HD1 LEU 25 1.135 1.752 -0.032
157 HD12 LEU 25 2HD1 LEU 25 0.037 0.368 0.203
158 HD13 LEU 25 3HD1 LEU 25 0.764 1.145 1.598
159 HD21 LEU 25 3HD2 LEU 25 -0.049 3.314 2.428
160 HD22 LEU 25 1HD2 LEU 25 -1.152 4.289 1.445
161 HD23 LEU 25 2HD2 LEU 25 0.506 3.972 0.874
162 H LYS 26 H LYS 26 -4.492 1.813 -1.132
163 HA LYS 26 HA LYS 26 -5.048 0.159 1.090
164 HB2 LYS 26 1HB LYS 26 -6.574 1.898 0.380
165 HB3 LYS 26 2HB LYS 26 -6.891 1.077 -1.155
166 HG2 LYS 26 1HG LYS 26 -8.003 -0.767 -0.032
167 HG3 LYS 26 2HG LYS 26 -7.532 -0.144 1.563
168 HD2 LYS 26 1HD LYS 26 -8.968 1.798 1.301
169 HD3 LYS 26 2HD LYS 26 -9.268 1.411 -0.396
170 HE2 LYS 26 1HE LYS 26 -11.204 0.849 0.953
171 HE3 LYS 26 2HE LYS 26 -10.523 -0.595 0.204
172 HZ1 LYS 26 3HZ LYS 26 -9.656 -1.304 2.286
173 HZ2 LYS 26 1HZ LYS 26 -11.158 -0.807 2.609
174 HZ3 LYS 26 2HZ LYS 26 -9.907 0.162 3.009
175 H VAL 27 H VAL 27 -5.319 -0.743 -2.399
176 HA VAL 27 HA VAL 27 -6.165 -3.414 -1.782
177 HB VAL 27 HB VAL 27 -6.563 -2.345 -3.925
178 HG11 VAL 27 1HG1 VAL 27 -4.870 -2.366 -5.709
179 HG12 VAL 27 2HG1 VAL 27 -4.447 -1.276 -4.391
180 HG13 VAL 27 3HG1 VAL 27 -3.624 -2.849 -4.538
181 HG21 VAL 27 3HG2 VAL 27 -6.326 -4.307 -5.309
182 HG22 VAL 27 1HG2 VAL 27 -5.055 -4.960 -4.261
183 HG23 VAL 27 2HG2 VAL 27 -6.723 -4.812 -3.659
184 H HIS 28 H HIS 28 -2.892 -2.075 -1.898
185 HA HIS 28 HA HIS 28 -1.510 -4.619 -1.676
186 HB2 HIS 28 1HB HIS 28 -0.198 -2.733 -2.268
187 HB3 HIS 28 2HB HIS 28 -0.787 -1.769 -0.933
188 HD1 HIS 28 1HD HIS 28 1.617 -4.712 -1.542
189 HD2 HIS 28 2HD HIS 28 0.559 -1.835 1.335
190 HE1 HIS 28 1HE HIS 28 3.363 -4.884 0.288
191 H ILE 29 H ILE 29 -2.677 -2.290 0.823
192 HA ILE 29 HA ILE 29 -1.978 -3.919 3.073
193 HB ILE 29 HB ILE 29 -4.036 -1.710 2.733
194 HG12 ILE 29 1HG1 ILE 29 -1.278 -1.682 4.053
195 HG13 ILE 29 2HG1 ILE 29 -1.570 -1.167 2.397
196 HG21 ILE 29 1HG2 ILE 29 -3.048 -2.990 5.324
197 HG22 ILE 29 2HG2 ILE 29 -4.073 -1.543 5.212
198 HG23 ILE 29 3HG2 ILE 29 -4.698 -3.088 4.675
199 HD11 ILE 29 3HD1 ILE 29 -1.451 0.784 3.762
200 HD12 ILE 29 1HD1 ILE 29 -3.130 0.596 3.219
201 HD13 ILE 29 2HD1 ILE 29 -2.668 0.173 4.888
202 H GLU 30 H GLU 30 -5.042 -3.722 1.254
203 HA GLU 30 HA GLU 30 -6.527 -5.501 2.872
204 HB2 GLU 30 1HB GLU 30 -7.131 -3.796 0.863
205 HB3 GLU 30 2HB GLU 30 -7.098 -5.277 -0.076
206 HG2 GLU 30 1HG GLU 30 -9.346 -4.916 0.573
207 HG3 GLU 30 2HG GLU 30 -8.788 -6.211 1.625
208 H ARG 31 H ARG 31 -4.006 -6.329 0.675
209 HA ARG 31 HA ARG 31 -4.944 -9.187 0.489
210 HB2 ARG 31 1HB ARG 31 -3.184 -7.543 -1.375
211 HB3 ARG 31 2HB ARG 31 -3.423 -9.289 -1.506
212 HG2 ARG 31 1HG ARG 31 -5.846 -8.983 -1.821
213 HG3 ARG 31 2HG ARG 31 -5.665 -7.224 -1.677
214 HD2 ARG 31 1HD ARG 31 -4.187 -7.197 -3.647
215 HD3 ARG 31 2HD ARG 31 -4.341 -8.960 -3.800
216 HE ARG 31 HE ARG 31 -6.958 -7.908 -3.795
217 HH11 ARG 31 2HH1 ARG 31 -4.181 -7.751 -5.925
218 HH12 ARG 31 1HH1 ARG 31 -5.165 -7.488 -7.339
219 HH21 ARG 31 2HH2 ARG 31 -8.155 -7.575 -5.641
220 HH22 ARG 31 1HH2 ARG 31 -7.356 -7.396 -7.174
221 H VAL 32 H VAL 32 -2.186 -7.117 1.272
222 HA VAL 32 HA VAL 32 -0.522 -9.487 1.887
223 HB VAL 32 HB VAL 32 0.235 -6.552 1.759
224 HG11 VAL 32 1HG1 VAL 32 2.543 -7.413 1.483
225 HG12 VAL 32 2HG1 VAL 32 1.876 -7.908 3.037
226 HG13 VAL 32 3HG1 VAL 32 1.955 -9.076 1.705
227 HG21 VAL 32 3HG2 VAL 32 0.497 -8.764 -0.336
228 HG22 VAL 32 1HG2 VAL 32 -0.517 -7.312 -0.469
229 HG23 VAL 32 2HG2 VAL 32 1.235 -7.153 -0.455
230 H HIS 33 H HIS 33 -2.125 -6.845 3.630
231 HA HIS 33 HA HIS 33 -0.853 -7.778 6.178
232 HB2 HIS 33 1HB HIS 33 -1.660 -4.962 5.413
233 HB3 HIS 33 2HB HIS 33 -0.857 -5.461 6.899
234 HD1 HIS 33 1HD HIS 33 1.609 -7.025 6.047
235 HD2 HIS 33 2HD HIS 33 0.039 -3.789 3.878
236 HE1 HIS 33 1HE HIS 33 3.529 -6.142 4.637
237 H LYS 34 H LYS 34 -3.837 -7.765 4.699
238 HA LYS 34 HA LYS 34 -5.607 -7.014 6.805
239 HB2 LYS 34 1HB LYS 34 -6.150 -7.358 4.386
240 HB3 LYS 34 2HB LYS 34 -6.034 -9.108 4.625
241 HG2 LYS 34 1HG LYS 34 -7.906 -8.999 6.256
242 HG3 LYS 34 2HG LYS 34 -7.971 -7.234 6.063
243 HD2 LYS 34 1HD LYS 34 -8.448 -7.576 3.622
244 HD3 LYS 34 2HD LYS 34 -8.522 -9.319 3.894
245 HE2 LYS 34 1HE LYS 34 -10.298 -7.220 5.230
246 HE3 LYS 34 2HE LYS 34 -10.752 -8.166 3.812
247 HZ1 LYS 34 3HZ LYS 34 -10.163 -9.306 6.491
248 HZ2 LYS 34 1HZ LYS 34 -10.545 -10.187 5.163
249 HZ3 LYS 34 2HZ LYS 34 -11.640 -9.169 5.815
250 H LYS 35 H LYS 35 -3.772 -9.932 6.361
251 HA LYS 35 HA LYS 35 -4.702 -10.999 8.996
252 HB2 LYS 35 1HB LYS 35 -4.028 -12.616 6.498
253 HB3 LYS 35 2HB LYS 35 -4.265 -13.292 8.114
254 HG2 LYS 35 1HG LYS 35 -6.601 -12.410 8.142
255 HG3 LYS 35 2HG LYS 35 -6.366 -11.758 6.520
256 HD2 LYS 35 1HD LYS 35 -7.575 -13.829 6.323
257 HD3 LYS 35 2HD LYS 35 -5.974 -14.020 5.626
258 HE2 LYS 35 1HE LYS 35 -6.486 -16.020 6.829
259 HE3 LYS 35 2HE LYS 35 -5.213 -15.182 7.714
260 HZ1 LYS 35 3HZ LYS 35 -8.108 -15.133 8.413
261 HZ2 LYS 35 1HZ LYS 35 -6.934 -14.372 9.260
262 HZ3 LYS 35 2HZ LYS 35 -6.970 -16.000 9.191
263 H ILE 36 H ILE 36 -3.101 -12.293 10.099
264 HA ILE 36 HA ILE 36 -0.277 -11.815 9.405
265 HB ILE 36 HB ILE 36 -1.053 -9.873 10.744
266 HG12 ILE 36 1HG1 ILE 36 0.699 -9.795 12.423
267 HG13 ILE 36 2HG1 ILE 36 0.977 -11.526 12.296
268 HG21 ILE 36 1HG2 ILE 36 -1.596 -10.081 13.114
269 HG22 ILE 36 2HG2 ILE 36 -2.756 -10.995 12.148
270 HG23 ILE 36 3HG2 ILE 36 -1.467 -11.846 13.029
271 HD11 ILE 36 3HD1 ILE 36 1.365 -9.512 10.028
272 HD12 ILE 36 1HD1 ILE 36 2.654 -10.148 11.068
273 HD13 ILE 36 2HD1 ILE 36 1.793 -11.241 9.976
274 H LYS 37 H LYS 37 1.224 -13.133 10.596
275 HA LYS 37 HA LYS 37 0.331 -15.870 10.898
276 HB2 LYS 37 1HB LYS 37 3.023 -14.590 11.534
277 HB3 LYS 37 2HB LYS 37 2.707 -16.317 11.421
278 HG2 LYS 37 1HG LYS 37 2.527 -14.318 9.122
279 HG3 LYS 37 2HG LYS 37 3.830 -15.466 9.424
280 HD2 LYS 37 1HD LYS 37 2.213 -17.357 9.135
281 HD3 LYS 37 2HD LYS 37 0.945 -16.178 8.725
282 HE2 LYS 37 1HE LYS 37 2.318 -15.351 6.835
283 HE3 LYS 37 2HE LYS 37 3.590 -16.510 7.241
284 HZ1 LYS 37 3HZ LYS 37 2.009 -18.308 6.779
285 HZ2 LYS 37 1HZ LYS 37 2.164 -17.351 5.468
286 HZ3 LYS 37 2HZ LYS 37 0.832 -17.239 6.402
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 10.974 1.125 -8.078
2 H2 GLY 1 2H GLY 1 9.805 0.588 -7.065
3 H3 GLY 1 3H GLY 1 11.340 0.032 -6.915
4 HA2 GLY 1 1HA GLY 1 10.888 1.615 -5.169
5 HA3 GLY 1 2HA GLY 1 12.134 2.214 -6.279
6 H SER 2 H SER 2 11.727 4.396 -5.879
7 HA SER 2 HA SER 2 9.400 5.564 -7.275
8 HB2 SER 2 1HB SER 2 8.678 6.917 -5.458
9 HB3 SER 2 2HB SER 2 8.722 5.263 -4.845
10 HG SER 2 HG SER 2 10.627 5.725 -3.769
11 H SER 3 H SER 3 9.615 8.073 -7.189
12 HA SER 3 HA SER 3 12.233 8.932 -8.062
13 HB2 SER 3 1HB SER 3 9.801 10.598 -7.317
14 HB3 SER 3 2HB SER 3 11.197 11.125 -8.277
15 HG SER 3 HG SER 3 9.434 10.514 -9.609
16 H GLY 4 H GLY 4 11.285 8.297 -4.934
17 HA2 GLY 4 1HA GLY 4 12.449 8.738 -2.957
18 HA3 GLY 4 2HA GLY 4 13.308 10.077 -3.711
19 H SER 5 H SER 5 12.359 10.384 -1.204
20 HA SER 5 HA SER 5 9.658 11.245 -0.952
21 HB2 SER 5 1HB SER 5 12.019 11.679 0.896
22 HB3 SER 5 2HB SER 5 10.309 11.882 1.330
23 HG SER 5 HG SER 5 11.216 9.785 1.856
24 H SER 6 H SER 6 12.009 13.003 -2.513
25 HA SER 6 HA SER 6 11.139 15.694 -1.758
26 HB2 SER 6 1HB SER 6 12.371 16.332 -3.833
27 HB3 SER 6 2HB SER 6 13.347 15.421 -2.665
28 HG SER 6 HG SER 6 13.606 14.651 -4.827
29 H GLY 7 H GLY 7 10.020 13.156 -3.897
30 HA2 GLY 7 1HA GLY 7 7.943 14.881 -5.165
31 HA3 GLY 7 2HA GLY 7 8.329 13.216 -5.591
32 H GLU 8 H GLU 8 5.700 14.131 -5.107
33 HA GLU 8 HA GLU 8 4.876 13.274 -2.416
34 HB2 GLU 8 1HB GLU 8 3.267 14.129 -4.847
35 HB3 GLU 8 2HB GLU 8 2.581 13.681 -3.277
36 HG2 GLU 8 1HG GLU 8 3.899 15.495 -2.188
37 HG3 GLU 8 2HG GLU 8 4.518 15.987 -3.765
38 H LYS 9 H LYS 9 4.328 11.318 -1.804
39 HA LYS 9 HA LYS 9 3.161 9.290 -3.564
40 HB2 LYS 9 1HB LYS 9 4.898 7.580 -3.047
41 HB3 LYS 9 2HB LYS 9 5.471 8.878 -4.087
42 HG2 LYS 9 1HG LYS 9 6.624 9.948 -2.186
43 HG3 LYS 9 2HG LYS 9 6.023 8.687 -1.091
44 HD2 LYS 9 1HD LYS 9 7.339 6.986 -2.218
45 HD3 LYS 9 2HD LYS 9 7.697 8.082 -3.557
46 HE2 LYS 9 1HE LYS 9 9.666 7.919 -2.206
47 HE3 LYS 9 2HE LYS 9 8.993 9.547 -2.080
48 HZ1 LYS 9 3HZ LYS 9 8.752 7.402 -0.034
49 HZ2 LYS 9 1HZ LYS 9 8.020 8.864 0.084
50 HZ3 LYS 9 2HZ LYS 9 9.645 8.765 0.094
51 H PHE 10 H PHE 10 2.474 7.398 -2.434
52 HA PHE 10 HA PHE 10 1.780 7.872 0.429
53 HB2 PHE 10 1HB PHE 10 0.525 5.955 -1.564
54 HB3 PHE 10 2HB PHE 10 -0.045 6.329 0.058
55 HD1 PHE 10 1HD PHE 10 -0.945 8.637 0.590
56 HD2 PHE 10 2HD PHE 10 -0.018 7.388 -3.428
57 HE1 PHE 10 1HE PHE 10 -2.281 10.529 -0.307
58 HE2 PHE 10 2HE PHE 10 -1.377 9.268 -4.328
59 HZ PHE 10 HZ PHE 10 -2.506 10.842 -2.769
60 H ALA 11 H ALA 11 2.031 6.126 1.949
61 HA ALA 11 HA ALA 11 3.957 3.988 1.182
62 HB1 ALA 11 1HB ALA 11 4.316 5.952 3.482
63 HB2 ALA 11 2HB ALA 11 5.397 4.606 3.058
64 HB3 ALA 11 3HB ALA 11 5.221 5.986 1.954
65 H CYS 12 H CYS 12 3.983 2.165 2.406
66 HA CYS 12 HA CYS 12 1.638 1.468 3.966
67 HB2 CYS 12 1HB CYS 12 2.735 -0.029 2.400
68 HB3 CYS 12 2HB CYS 12 4.231 0.031 3.346
69 H ASP 13 H ASP 13 1.518 0.892 6.082
70 HA ASP 13 HA ASP 13 3.353 2.284 7.960
71 HB2 ASP 13 1HB ASP 13 0.858 2.641 8.009
72 HB3 ASP 13 2HB ASP 13 0.673 0.954 8.489
73 H TYR 14 H TYR 14 2.938 -0.816 6.667
74 HA TYR 14 HA TYR 14 3.932 -2.227 9.115
75 HB2 TYR 14 1HB TYR 14 2.394 -3.369 6.778
76 HB3 TYR 14 2HB TYR 14 2.745 -4.157 8.304
77 HD1 TYR 14 1HD TYR 14 1.634 -3.269 10.436
78 HD2 TYR 14 2HD TYR 14 0.465 -1.995 6.480
79 HE1 TYR 14 1HE TYR 14 -0.528 -2.431 11.344
80 HE2 TYR 14 2HE TYR 14 -1.699 -1.155 7.395
81 HH TYR 14 HH TYR 14 -2.524 -1.410 10.873
82 H CYS 15 H CYS 15 4.755 -1.526 5.799
83 HA CYS 15 HA CYS 15 7.320 -2.885 6.081
84 HB2 CYS 15 1HB CYS 15 7.163 -4.294 4.164
85 HB3 CYS 15 2HB CYS 15 5.809 -4.676 5.216
86 H SER 16 H SER 16 8.489 -2.611 3.766
87 HA SER 16 HA SER 16 8.661 0.281 3.442
88 HB2 SER 16 1HB SER 16 10.415 -1.886 2.234
89 HB3 SER 16 2HB SER 16 10.777 -0.150 2.305
90 HG SER 16 HG SER 16 11.805 -1.323 3.994
91 H PHE 17 H PHE 17 6.359 -0.962 2.242
92 HA PHE 17 HA PHE 17 6.656 -0.708 -0.679
93 HB2 PHE 17 1HB PHE 17 5.103 -2.340 0.140
94 HB3 PHE 17 2HB PHE 17 4.278 -1.151 1.134
95 HD1 PHE 17 2HD PHE 17 4.727 -2.414 -2.315
96 HD2 PHE 17 1HD PHE 17 2.678 0.451 0.176
97 HE1 PHE 17 2HE PHE 17 3.124 -1.946 -4.157
98 HE2 PHE 17 1HE PHE 17 1.087 0.919 -1.671
99 HZ PHE 17 HZ PHE 17 1.304 -0.287 -3.835
100 H THR 18 H THR 18 6.105 0.966 -1.949
101 HA THR 18 HA THR 18 4.589 3.253 -0.890
102 HB THR 18 HB THR 18 6.035 4.910 -1.988
103 HG1 THR 18 1HG THR 18 7.922 2.802 -2.176
104 HG21 THR 18 3HG2 THR 18 7.842 5.004 -0.369
105 HG22 THR 18 1HG2 THR 18 7.595 3.303 0.076
106 HG23 THR 18 2HG2 THR 18 6.340 4.507 0.428
107 H CYS 19 H CYS 19 3.527 4.512 -2.496
108 HA CYS 19 HA CYS 19 3.616 3.601 -5.295
109 HB2 CYS 19 1HB CYS 19 2.028 2.065 -4.020
110 HB3 CYS 19 2HB CYS 19 0.994 3.479 -3.743
111 HG CYS 19 HG CYS 19 2.043 2.082 -6.579
112 H LEU 20 H LEU 20 2.507 5.010 -6.760
113 HA LEU 20 HA LEU 20 2.136 7.769 -5.855
114 HB2 LEU 20 1HB LEU 20 1.957 8.379 -8.133
115 HB3 LEU 20 2HB LEU 20 3.359 7.380 -7.882
116 HG LEU 20 HG LEU 20 2.372 6.988 -10.022
117 HD11 LEU 20 1HD1 LEU 20 3.449 5.052 -8.859
118 HD12 LEU 20 2HD1 LEU 20 2.279 4.618 -10.113
119 HD13 LEU 20 3HD1 LEU 20 1.814 4.478 -8.416
120 HD21 LEU 20 3HD2 LEU 20 0.232 6.052 -10.466
121 HD22 LEU 20 1HD2 LEU 20 -0.011 7.492 -9.465
122 HD23 LEU 20 2HD2 LEU 20 -0.141 5.865 -8.748
123 H SER 21 H SER 21 0.124 5.164 -5.682
124 HA SER 21 HA SER 21 -2.325 6.881 -5.762
125 HB2 SER 21 1HB SER 21 -2.415 5.444 -7.689
126 HB3 SER 21 2HB SER 21 -2.025 4.016 -6.709
127 HG SER 21 HG SER 21 -4.335 4.427 -7.207
128 H LYS 22 H LYS 22 -3.478 6.927 -3.982
129 HA LYS 22 HA LYS 22 -2.910 5.286 -1.648
130 HB2 LYS 22 1HB LYS 22 -4.733 6.479 -0.593
131 HB3 LYS 22 2HB LYS 22 -3.636 7.589 -1.411
132 HG2 LYS 22 1HG LYS 22 -5.246 7.833 -3.286
133 HG3 LYS 22 2HG LYS 22 -6.316 6.643 -2.536
134 HD2 LYS 22 1HD LYS 22 -7.182 8.841 -2.109
135 HD3 LYS 22 2HD LYS 22 -6.628 8.137 -0.583
136 HE2 LYS 22 1HE LYS 22 -4.531 9.460 -0.728
137 HE3 LYS 22 2HE LYS 22 -5.047 10.123 -2.285
138 HZ1 LYS 22 3HZ LYS 22 -6.940 11.153 -1.140
139 HZ2 LYS 22 1HZ LYS 22 -5.544 11.654 -0.463
140 HZ3 LYS 22 2HZ LYS 22 -6.463 10.541 0.298
141 H GLY 23 H GLY 23 -5.024 4.884 -4.392
142 HA2 GLY 23 1HA GLY 23 -6.887 2.992 -3.224
143 HA3 GLY 23 2HA GLY 23 -6.533 3.222 -4.945
144 H HIS 24 H HIS 24 -3.799 2.641 -5.047
145 HA HIS 24 HA HIS 24 -3.707 -0.231 -4.889
146 HB2 HIS 24 1HB HIS 24 -2.417 1.247 -6.467
147 HB3 HIS 24 2HB HIS 24 -1.391 1.713 -5.111
148 HD1 HIS 24 1HD HIS 24 -1.473 -1.620 -4.150
149 HD2 HIS 24 2HD HIS 24 -0.155 0.280 -7.666
150 HE1 HIS 24 1HE HIS 24 0.187 -3.221 -5.251
151 H LEU 25 H LEU 25 -2.470 2.342 -2.694
152 HA LEU 25 HA LEU 25 -1.232 0.568 -0.828
153 HB2 LEU 25 1HB LEU 25 -0.750 2.954 -0.897
154 HB3 LEU 25 2HB LEU 25 -2.423 3.340 -0.487
155 HG LEU 25 HG LEU 25 -2.161 2.322 1.740
156 HD11 LEU 25 1HD1 LEU 25 0.055 1.690 2.572
157 HD12 LEU 25 2HD1 LEU 25 0.759 1.907 0.954
158 HD13 LEU 25 3HD1 LEU 25 -0.425 0.614 1.267
159 HD21 LEU 25 3HD2 LEU 25 0.071 4.280 1.118
160 HD22 LEU 25 1HD2 LEU 25 -0.706 4.009 2.692
161 HD23 LEU 25 2HD2 LEU 25 -1.638 4.720 1.365
162 H LYS 26 H LYS 26 -4.615 1.785 -0.991
163 HA LYS 26 HA LYS 26 -5.552 0.511 1.384
164 HB2 LYS 26 1HB LYS 26 -6.663 2.299 0.012
165 HB3 LYS 26 2HB LYS 26 -7.134 1.087 -1.168
166 HG2 LYS 26 1HG LYS 26 -7.902 0.876 1.777
167 HG3 LYS 26 2HG LYS 26 -8.795 1.891 0.647
168 HD2 LYS 26 1HD LYS 26 -9.219 -0.122 -0.799
169 HD3 LYS 26 2HD LYS 26 -8.507 -1.137 0.479
170 HE2 LYS 26 1HE LYS 26 -10.160 -0.298 2.101
171 HE3 LYS 26 2HE LYS 26 -10.831 0.797 0.885
172 HZ1 LYS 26 3HZ LYS 26 -10.888 -2.177 0.748
173 HZ2 LYS 26 1HZ LYS 26 -11.470 -1.179 -0.419
174 HZ3 LYS 26 2HZ LYS 26 -12.164 -1.208 1.060
175 H VAL 27 H VAL 27 -5.445 -0.742 -1.973
176 HA VAL 27 HA VAL 27 -6.414 -3.382 -1.337
177 HB VAL 27 HB VAL 27 -4.696 -2.380 -3.636
178 HG11 VAL 27 1HG1 VAL 27 -4.344 -4.806 -3.460
179 HG12 VAL 27 2HG1 VAL 27 -6.098 -5.067 -3.305
180 HG13 VAL 27 3HG1 VAL 27 -5.406 -4.455 -4.822
181 HG21 VAL 27 3HG2 VAL 27 -7.019 -1.450 -3.517
182 HG22 VAL 27 1HG2 VAL 27 -6.804 -2.519 -4.904
183 HG23 VAL 27 2HG2 VAL 27 -7.661 -3.098 -3.459
184 H HIS 28 H HIS 28 -3.071 -2.059 -1.369
185 HA HIS 28 HA HIS 28 -1.716 -4.485 -0.771
186 HB2 HIS 28 1HB HIS 28 -0.589 -2.480 -1.553
187 HB3 HIS 28 2HB HIS 28 -1.069 -1.589 -0.119
188 HD1 HIS 28 1HD HIS 28 1.452 -4.238 -1.215
189 HD2 HIS 28 2HD HIS 28 0.387 -1.850 2.073
190 HE1 HIS 28 1HE HIS 28 3.342 -4.485 0.460
191 H ILE 29 H ILE 29 -2.978 -1.987 1.527
192 HA ILE 29 HA ILE 29 -2.334 -3.469 3.903
193 HB ILE 29 HB ILE 29 -4.360 -1.282 3.335
194 HG12 ILE 29 1HG1 ILE 29 -1.681 -1.208 4.813
195 HG13 ILE 29 2HG1 ILE 29 -1.855 -0.802 3.115
196 HG21 ILE 29 1HG2 ILE 29 -5.151 -2.522 5.314
197 HG22 ILE 29 2HG2 ILE 29 -3.532 -2.439 6.040
198 HG23 ILE 29 3HG2 ILE 29 -4.506 -0.971 5.809
199 HD11 ILE 29 3HD1 ILE 29 -3.090 0.718 5.435
200 HD12 ILE 29 1HD1 ILE 29 -1.798 1.241 4.348
201 HD13 ILE 29 2HD1 ILE 29 -3.442 1.033 3.715
202 H GLU 30 H GLU 30 -5.267 -3.490 1.850
203 HA GLU 30 HA GLU 30 -6.786 -5.213 3.556
204 HB2 GLU 30 1HB GLU 30 -7.702 -3.631 1.911
205 HB3 GLU 30 2HB GLU 30 -7.052 -4.607 0.588
206 HG2 GLU 30 1HG GLU 30 -8.532 -6.485 1.249
207 HG3 GLU 30 2HG GLU 30 -9.146 -5.524 2.602
208 H ARG 31 H ARG 31 -4.494 -6.054 0.918
209 HA ARG 31 HA ARG 31 -5.349 -8.937 1.177
210 HB2 ARG 31 1HB ARG 31 -4.465 -7.445 -1.324
211 HB3 ARG 31 2HB ARG 31 -4.894 -9.153 -1.213
212 HG2 ARG 31 1HG ARG 31 -7.212 -8.444 -0.427
213 HG3 ARG 31 2HG ARG 31 -6.742 -6.772 -0.765
214 HD2 ARG 31 1HD ARG 31 -7.961 -7.530 -2.654
215 HD3 ARG 31 2HD ARG 31 -6.258 -7.433 -3.138
216 HE ARG 31 HE ARG 31 -6.874 -10.086 -2.211
217 HH11 ARG 31 2HH2 ARG 31 -7.502 -8.069 -5.007
218 HH12 ARG 31 1HH2 ARG 31 -7.686 -9.439 -6.068
219 HH21 ARG 31 2HH1 ARG 31 -7.113 -11.787 -3.620
220 HH22 ARG 31 1HH1 ARG 31 -7.474 -11.487 -5.295
221 H VAL 32 H VAL 32 -2.542 -6.803 0.818
222 HA VAL 32 HA VAL 32 -0.714 -9.120 0.750
223 HB VAL 32 HB VAL 32 -0.091 -6.156 0.873
224 HG11 VAL 32 1HG1 VAL 32 2.184 -6.874 0.169
225 HG12 VAL 32 2HG1 VAL 32 1.771 -7.430 1.793
226 HG13 VAL 32 3HG1 VAL 32 1.707 -8.566 0.423
227 HG21 VAL 32 3HG2 VAL 32 0.541 -6.466 -1.507
228 HG22 VAL 32 1HG2 VAL 32 -0.028 -8.146 -1.437
229 HG23 VAL 32 2HG2 VAL 32 -1.174 -6.801 -1.256
230 H HIS 33 H HIS 33 -1.767 -6.635 3.084
231 HA HIS 33 HA HIS 33 -0.526 -8.219 5.284
232 HB2 HIS 33 1HB HIS 33 -1.741 -5.447 5.298
233 HB3 HIS 33 2HB HIS 33 -1.071 -6.275 6.703
234 HD1 HIS 33 1HD HIS 33 1.661 -7.081 6.285
235 HD2 HIS 33 2HD HIS 33 -0.022 -4.033 3.935
236 HE1 HIS 33 1HE HIS 33 3.624 -5.867 5.230
237 H LYS 34 H LYS 34 -3.398 -8.240 3.688
238 HA LYS 34 HA LYS 34 -5.341 -9.336 3.920
239 HB2 LYS 34 1HB LYS 34 -3.953 -10.805 6.192
240 HB3 LYS 34 2HB LYS 34 -5.473 -11.262 5.451
241 HG2 LYS 34 1HG LYS 34 -4.106 -12.633 4.285
242 HG3 LYS 34 2HG LYS 34 -4.141 -11.255 3.189
243 HD2 LYS 34 1HD LYS 34 -1.946 -10.499 4.247
244 HD3 LYS 34 2HD LYS 34 -1.947 -11.994 5.189
245 HE2 LYS 34 1HE LYS 34 -1.901 -13.315 3.106
246 HE3 LYS 34 2HE LYS 34 -2.042 -11.836 2.144
247 HZ1 LYS 34 3HZ LYS 34 0.097 -11.107 3.068
248 HZ2 LYS 34 1HZ LYS 34 0.268 -12.533 2.275
249 HZ3 LYS 34 2HZ LYS 34 0.253 -12.507 3.907
250 H LYS 35 H LYS 35 -7.229 -9.924 5.213
251 HA LYS 35 HA LYS 35 -8.329 -7.675 6.612
252 HB2 LYS 35 1HB LYS 35 -9.803 -9.071 5.366
253 HB3 LYS 35 2HB LYS 35 -9.230 -10.545 6.159
254 HG2 LYS 35 1HG LYS 35 -10.262 -9.932 8.246
255 HG3 LYS 35 2HG LYS 35 -10.731 -8.337 7.608
256 HD2 LYS 35 1HD LYS 35 -12.431 -9.290 6.239
257 HD3 LYS 35 2HD LYS 35 -11.754 -10.918 6.389
258 HE2 LYS 35 1HE LYS 35 -13.778 -10.690 7.782
259 HE3 LYS 35 2HE LYS 35 -12.339 -11.052 8.736
260 HZ1 LYS 35 3HZ LYS 35 -13.516 -9.338 9.870
261 HZ2 LYS 35 1HZ LYS 35 -13.647 -8.396 8.522
262 HZ3 LYS 35 2HZ LYS 35 -12.201 -8.649 9.270
263 H ILE 36 H ILE 36 -8.769 -7.279 8.684
264 HA ILE 36 HA ILE 36 -7.656 -9.011 10.831
265 HB ILE 36 HB ILE 36 -6.799 -6.708 10.804
266 HG12 ILE 36 1HG1 ILE 36 -7.236 -6.057 13.121
267 HG13 ILE 36 2HG1 ILE 36 -8.596 -7.169 13.221
268 HG21 ILE 36 1HG2 ILE 36 -9.668 -5.805 11.314
269 HG22 ILE 36 2HG2 ILE 36 -8.220 -4.783 11.342
270 HG23 ILE 36 3HG2 ILE 36 -8.736 -5.520 9.826
271 HD11 ILE 36 3HD1 ILE 36 -5.693 -7.980 12.715
272 HD12 ILE 36 1HD1 ILE 36 -6.517 -8.036 14.286
273 HD13 ILE 36 2HD1 ILE 36 -7.058 -9.094 12.977
274 H LYS 37 H LYS 37 -9.045 -9.547 12.609
275 HA LYS 37 HA LYS 37 -11.376 -10.801 11.847
276 HB2 LYS 37 1HB LYS 37 -10.630 -9.822 14.634
277 HB3 LYS 37 2HB LYS 37 -11.867 -11.023 14.291
278 HG2 LYS 37 1HG LYS 37 -8.895 -11.349 13.680
279 HG3 LYS 37 2HG LYS 37 -9.753 -12.014 15.069
280 HD2 LYS 37 1HD LYS 37 -11.218 -13.328 13.518
281 HD3 LYS 37 2HD LYS 37 -10.247 -12.741 12.147
282 HE2 LYS 37 1HE LYS 37 -8.213 -13.734 13.148
283 HE3 LYS 37 2HE LYS 37 -9.156 -14.294 14.536
284 HZ1 LYS 37 3HZ LYS 37 -8.859 -16.061 12.901
285 HZ2 LYS 37 1HZ LYS 37 -9.573 -15.181 11.729
286 HZ3 LYS 37 2HZ LYS 37 -10.444 -15.696 13.015
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 22.089 11.186 -0.876
2 H2 GLY 1 2H GLY 1 22.910 10.889 -2.259
3 H3 GLY 1 3H GLY 1 22.880 9.764 -1.068
4 HA2 GLY 1 1HA GLY 1 21.407 9.108 -2.854
5 HA3 GLY 1 2HA GLY 1 20.523 9.413 -1.346
6 H SER 2 H SER 2 19.426 9.493 -4.006
7 HA SER 2 HA SER 2 19.140 12.164 -5.001
8 HB2 SER 2 1HB SER 2 17.286 9.782 -5.366
9 HB3 SER 2 2HB SER 2 17.349 11.231 -6.380
10 HG SER 2 HG SER 2 19.455 10.660 -7.010
11 H SER 3 H SER 3 17.375 13.586 -4.976
12 HA SER 3 HA SER 3 15.860 13.755 -2.483
13 HB2 SER 3 1HB SER 3 15.090 15.909 -3.431
14 HB3 SER 3 2HB SER 3 16.852 15.752 -3.382
15 HG SER 3 HG SER 3 16.100 16.588 -5.394
16 H GLY 4 H GLY 4 13.521 14.332 -2.530
17 HA2 GLY 4 1HA GLY 4 11.822 13.457 -4.708
18 HA3 GLY 4 2HA GLY 4 11.814 12.315 -3.361
19 H SER 5 H SER 5 9.509 13.643 -4.178
20 HA SER 5 HA SER 5 9.000 16.102 -2.832
21 HB2 SER 5 1HB SER 5 7.010 14.049 -3.856
22 HB3 SER 5 2HB SER 5 6.670 15.747 -3.463
23 HG SER 5 HG SER 5 7.033 15.600 -5.663
24 H SER 6 H SER 6 8.070 16.641 -0.928
25 HA SER 6 HA SER 6 8.360 14.801 1.227
26 HB2 SER 6 1HB SER 6 7.107 17.568 1.265
27 HB3 SER 6 2HB SER 6 7.812 16.703 2.639
28 HG SER 6 HG SER 6 9.844 16.830 1.628
29 H GLY 7 H GLY 7 5.504 15.516 -0.607
30 HA2 GLY 7 1HA GLY 7 3.815 13.915 1.238
31 HA3 GLY 7 2HA GLY 7 3.366 15.601 0.974
32 H GLU 8 H GLU 8 4.723 13.713 -1.671
33 HA GLU 8 HA GLU 8 2.024 13.547 -2.971
34 HB2 GLU 8 1HB GLU 8 4.649 14.261 -4.310
35 HB3 GLU 8 2HB GLU 8 3.084 14.060 -5.108
36 HG2 GLU 8 1HG GLU 8 2.164 15.909 -3.669
37 HG3 GLU 8 2HG GLU 8 3.796 16.199 -3.061
38 H LYS 9 H LYS 9 3.491 11.511 -1.415
39 HA LYS 9 HA LYS 9 3.169 9.291 -3.330
40 HB2 LYS 9 1HB LYS 9 5.700 10.076 -3.014
41 HB3 LYS 9 2HB LYS 9 5.561 9.285 -1.462
42 HG2 LYS 9 1HG LYS 9 6.553 7.736 -2.988
43 HG3 LYS 9 2HG LYS 9 4.936 7.148 -2.633
44 HD2 LYS 9 1HD LYS 9 5.463 6.866 -4.998
45 HD3 LYS 9 2HD LYS 9 4.135 8.016 -4.829
46 HE2 LYS 9 1HE LYS 9 5.716 9.906 -5.114
47 HE3 LYS 9 2HE LYS 9 7.067 8.768 -5.230
48 HZ1 LYS 9 3HZ LYS 9 4.796 8.945 -7.141
49 HZ2 LYS 9 1HZ LYS 9 6.027 7.868 -7.252
50 HZ3 LYS 9 2HZ LYS 9 6.315 9.462 -7.422
51 H PHE 10 H PHE 10 2.618 7.306 -2.354
52 HA PHE 10 HA PHE 10 1.587 7.515 0.447
53 HB2 PHE 10 1HB PHE 10 0.651 5.812 -1.886
54 HB3 PHE 10 2HB PHE 10 -0.008 5.763 -0.262
55 HD1 PHE 10 1HD PHE 10 0.272 7.777 -3.352
56 HD2 PHE 10 2HD PHE 10 -1.457 7.562 0.588
57 HE1 PHE 10 1HE PHE 10 -1.282 9.626 -3.938
58 HE2 PHE 10 2HE PHE 10 -2.986 9.433 0.016
59 HZ PHE 10 HZ PHE 10 -2.913 10.458 -2.250
60 H ALA 11 H ALA 11 1.933 5.796 1.891
61 HA ALA 11 HA ALA 11 3.956 3.751 1.136
62 HB1 ALA 11 1HB ALA 11 4.180 5.664 3.495
63 HB2 ALA 11 2HB ALA 11 5.308 4.353 3.084
64 HB3 ALA 11 3HB ALA 11 5.141 5.753 2.004
65 H CYS 12 H CYS 12 3.937 1.879 2.264
66 HA CYS 12 HA CYS 12 1.531 1.021 3.569
67 HB2 CYS 12 1HB CYS 12 2.962 -0.339 2.140
68 HB3 CYS 12 2HB CYS 12 4.279 -0.224 3.318
69 H ASP 13 H ASP 13 1.165 0.416 5.661
70 HA ASP 13 HA ASP 13 2.672 1.854 7.773
71 HB2 ASP 13 1HB ASP 13 0.167 2.017 7.537
72 HB3 ASP 13 2HB ASP 13 0.065 0.311 7.973
73 H TYR 14 H TYR 14 2.723 -1.201 6.356
74 HA TYR 14 HA TYR 14 3.579 -2.609 8.864
75 HB2 TYR 14 1HB TYR 14 2.293 -3.758 6.387
76 HB3 TYR 14 2HB TYR 14 2.638 -4.612 7.877
77 HD1 TYR 14 2HD TYR 14 1.261 -4.198 9.921
78 HD2 TYR 14 1HD TYR 14 0.338 -2.337 6.140
79 HE1 TYR 14 2HE TYR 14 -1.023 -3.648 10.749
80 HE2 TYR 14 1HE TYR 14 -1.947 -1.780 6.978
81 HH TYR 14 HH TYR 14 -3.025 -2.656 10.279
82 H CYS 15 H CYS 15 4.578 -1.822 5.592
83 HA CYS 15 HA CYS 15 7.200 -3.052 6.057
84 HB2 CYS 15 1HB CYS 15 7.247 -4.394 4.093
85 HB3 CYS 15 2HB CYS 15 5.829 -4.860 5.021
86 H SER 16 H SER 16 8.503 -2.667 3.822
87 HA SER 16 HA SER 16 8.608 0.250 3.615
88 HB2 SER 16 1HB SER 16 10.547 -1.815 2.520
89 HB3 SER 16 2HB SER 16 10.829 -0.069 2.653
90 HG SER 16 HG SER 16 11.758 -1.237 4.403
91 H PHE 17 H PHE 17 6.484 -1.083 2.195
92 HA PHE 17 HA PHE 17 7.012 -0.725 -0.684
93 HB2 PHE 17 1HB PHE 17 5.558 -2.518 -0.001
94 HB3 PHE 17 2HB PHE 17 4.535 -1.418 0.906
95 HD1 PHE 17 2HD PHE 17 5.490 -2.532 -2.502
96 HD2 PHE 17 1HD PHE 17 2.818 -0.072 -0.172
97 HE1 PHE 17 2HE PHE 17 4.003 -2.266 -4.476
98 HE2 PHE 17 1HE PHE 17 1.332 0.178 -2.143
99 HZ PHE 17 HZ PHE 17 1.919 -0.919 -4.295
100 H THR 18 H THR 18 6.377 0.928 -1.975
101 HA THR 18 HA THR 18 4.698 3.117 -0.910
102 HB THR 18 HB THR 18 6.112 4.822 -2.004
103 HG1 THR 18 1HG THR 18 8.247 4.249 -2.528
104 HG21 THR 18 3HG2 THR 18 7.690 3.245 0.074
105 HG22 THR 18 1HG2 THR 18 6.356 4.361 0.436
106 HG23 THR 18 2HG2 THR 18 7.840 4.975 -0.312
107 H CYS 19 H CYS 19 3.586 4.348 -2.465
108 HA CYS 19 HA CYS 19 3.573 3.497 -5.276
109 HB2 CYS 19 1HB CYS 19 1.210 2.750 -5.222
110 HB3 CYS 19 2HB CYS 19 2.250 1.730 -4.227
111 HG CYS 19 HG CYS 19 1.724 2.925 -1.947
112 H LEU 20 H LEU 20 1.820 4.628 -6.518
113 HA LEU 20 HA LEU 20 1.952 7.474 -5.838
114 HB2 LEU 20 1HB LEU 20 1.754 7.916 -8.086
115 HB3 LEU 20 2HB LEU 20 2.748 6.474 -8.016
116 HG LEU 20 HG LEU 20 -0.207 6.631 -8.796
117 HD11 LEU 20 1HD1 LEU 20 2.281 5.968 -10.419
118 HD12 LEU 20 2HD1 LEU 20 1.382 7.501 -10.472
119 HD13 LEU 20 3HD1 LEU 20 0.607 6.005 -11.018
120 HD21 LEU 20 3HD2 LEU 20 1.618 4.191 -8.710
121 HD22 LEU 20 1HD2 LEU 20 0.026 4.259 -9.490
122 HD23 LEU 20 2HD2 LEU 20 0.133 4.454 -7.746
123 H SER 21 H SER 21 -0.372 5.318 -5.019
124 HA SER 21 HA SER 21 -2.521 7.360 -5.074
125 HB2 SER 21 1HB SER 21 -2.877 6.216 -7.167
126 HB3 SER 21 2HB SER 21 -2.737 4.630 -6.388
127 HG SER 21 HG SER 21 -4.939 5.477 -6.793
128 H LYS 22 H LYS 22 -3.932 7.247 -3.431
129 HA LYS 22 HA LYS 22 -3.590 5.539 -1.154
130 HB2 LYS 22 1HB LYS 22 -5.692 6.474 -0.361
131 HB3 LYS 22 2HB LYS 22 -4.639 7.732 -0.994
132 HG2 LYS 22 1HG LYS 22 -5.966 7.751 -3.124
133 HG3 LYS 22 2HG LYS 22 -7.058 6.541 -2.421
134 HD2 LYS 22 1HD LYS 22 -7.580 8.106 -0.562
135 HD3 LYS 22 2HD LYS 22 -6.546 9.335 -1.295
136 HE2 LYS 22 1HE LYS 22 -8.996 8.082 -2.627
137 HE3 LYS 22 2HE LYS 22 -9.018 9.600 -1.728
138 HZ1 LYS 22 3HZ LYS 22 -7.443 9.120 -4.202
139 HZ2 LYS 22 1HZ LYS 22 -7.428 10.512 -3.338
140 HZ3 LYS 22 2HZ LYS 22 -8.792 10.025 -4.086
141 H GLY 23 H GLY 23 -5.423 5.082 -4.122
142 HA2 GLY 23 1HA GLY 23 -7.031 2.828 -3.236
143 HA3 GLY 23 2HA GLY 23 -6.638 3.272 -4.906
144 H HIS 24 H HIS 24 -3.815 3.139 -4.829
145 HA HIS 24 HA HIS 24 -3.315 0.288 -5.008
146 HB2 HIS 24 1HB HIS 24 -1.474 2.708 -5.080
147 HB3 HIS 24 2HB HIS 24 -0.920 1.049 -5.263
148 HD1 HIS 24 1HD HIS 24 -4.173 1.940 -7.077
149 HD2 HIS 24 2HD HIS 24 -0.034 1.584 -7.743
150 HE1 HIS 24 1HE HIS 24 -3.853 1.960 -9.604
151 H LEU 25 H LEU 25 -2.525 2.765 -2.526
152 HA LEU 25 HA LEU 25 -1.140 1.046 -0.746
153 HB2 LEU 25 1HB LEU 25 -1.132 3.478 -0.548
154 HB3 LEU 25 2HB LEU 25 -2.865 3.499 -0.233
155 HG LEU 25 HG LEU 25 -2.544 2.331 1.906
156 HD11 LEU 25 1HD1 LEU 25 0.423 2.466 1.214
157 HD12 LEU 25 2HD1 LEU 25 -0.543 0.993 1.468
158 HD13 LEU 25 3HD1 LEU 25 -0.242 2.085 2.820
159 HD21 LEU 25 3HD2 LEU 25 -1.485 4.139 3.120
160 HD22 LEU 25 1HD2 LEU 25 -2.449 4.813 1.796
161 HD23 LEU 25 2HD2 LEU 25 -0.677 4.715 1.653
162 H LYS 26 H LYS 26 -4.675 1.798 -0.838
163 HA LYS 26 HA LYS 26 -5.410 0.028 1.298
164 HB2 LYS 26 1HB LYS 26 -6.946 1.176 -1.064
165 HB3 LYS 26 2HB LYS 26 -7.702 0.124 0.141
166 HG2 LYS 26 1HG LYS 26 -7.143 1.654 1.950
167 HG3 LYS 26 2HG LYS 26 -6.255 2.715 0.849
168 HD2 LYS 26 1HD LYS 26 -8.345 3.153 -0.424
169 HD3 LYS 26 2HD LYS 26 -9.238 2.090 0.689
170 HE2 LYS 26 1HE LYS 26 -8.565 3.565 2.594
171 HE3 LYS 26 2HE LYS 26 -7.737 4.637 1.457
172 HZ1 LYS 26 3HZ LYS 26 -9.974 5.440 1.964
173 HZ2 LYS 26 1HZ LYS 26 -10.654 4.054 1.446
174 HZ3 LYS 26 2HZ LYS 26 -9.900 5.038 0.384
175 H VAL 27 H VAL 27 -5.244 -0.612 -2.227
176 HA VAL 27 HA VAL 27 -6.075 -3.359 -2.046
177 HB VAL 27 HB VAL 27 -4.461 -1.847 -4.125
178 HG11 VAL 27 1HG1 VAL 27 -3.808 -4.200 -4.372
179 HG12 VAL 27 2HG1 VAL 27 -5.516 -4.703 -4.292
180 HG13 VAL 27 3HG1 VAL 27 -4.917 -3.747 -5.667
181 HG21 VAL 27 3HG2 VAL 27 -6.542 -1.990 -5.417
182 HG22 VAL 27 1HG2 VAL 27 -7.306 -2.972 -4.147
183 HG23 VAL 27 2HG2 VAL 27 -6.905 -1.275 -3.843
184 H HIS 28 H HIS 28 -2.770 -1.910 -1.860
185 HA HIS 28 HA HIS 28 -1.377 -4.385 -1.569
186 HB2 HIS 28 1HB HIS 28 -0.205 -2.324 -2.047
187 HB3 HIS 28 2HB HIS 28 -0.765 -1.583 -0.550
188 HD1 HIS 28 1HD HIS 28 1.716 -4.283 -1.733
189 HD2 HIS 28 2HD HIS 28 0.589 -2.082 1.663
190 HE1 HIS 28 1HE HIS 28 3.475 -4.782 0.026
191 H ILE 29 H ILE 29 -2.645 -2.181 1.016
192 HA ILE 29 HA ILE 29 -1.919 -3.869 3.192
193 HB ILE 29 HB ILE 29 -4.067 -1.746 2.905
194 HG12 ILE 29 1HG1 ILE 29 -1.399 -1.766 4.401
195 HG13 ILE 29 2HG1 ILE 29 -1.600 -1.130 2.777
196 HG21 ILE 29 1HG2 ILE 29 -4.238 -1.780 5.409
197 HG22 ILE 29 2HG2 ILE 29 -4.841 -3.254 4.686
198 HG23 ILE 29 3HG2 ILE 29 -3.230 -3.243 5.438
199 HD11 ILE 29 3HD1 ILE 29 -2.896 -0.013 5.289
200 HD12 ILE 29 1HD1 ILE 29 -1.617 0.709 4.313
201 HD13 ILE 29 2HD1 ILE 29 -3.249 0.539 3.632
202 H GLU 30 H GLU 30 -5.059 -3.743 1.425
203 HA GLU 30 HA GLU 30 -6.293 -5.723 3.045
204 HB2 GLU 30 1HB GLU 30 -7.418 -3.993 1.701
205 HB3 GLU 30 2HB GLU 30 -6.971 -4.838 0.211
206 HG2 GLU 30 1HG GLU 30 -8.412 -6.688 0.732
207 HG3 GLU 30 2HG GLU 30 -8.577 -6.179 2.417
208 H ARG 31 H ARG 31 -3.999 -6.234 0.467
209 HA ARG 31 HA ARG 31 -4.865 -9.096 0.158
210 HB2 ARG 31 1HB ARG 31 -3.156 -7.313 -1.620
211 HB3 ARG 31 2HB ARG 31 -3.422 -9.042 -1.876
212 HG2 ARG 31 1HG ARG 31 -5.879 -8.655 -2.060
213 HG3 ARG 31 2HG ARG 31 -5.624 -6.926 -1.815
214 HD2 ARG 31 1HD ARG 31 -5.884 -7.266 -4.154
215 HD3 ARG 31 2HD ARG 31 -4.176 -6.884 -3.863
216 HE ARG 31 HE ARG 31 -4.539 -9.729 -3.835
217 HH11 ARG 31 1HH1 ARG 31 -4.563 -7.130 -6.182
218 HH12 ARG 31 2HH1 ARG 31 -4.112 -8.186 -7.492
219 HH21 ARG 31 2HH2 ARG 31 -3.955 -11.018 -5.546
220 HH22 ARG 31 1HH2 ARG 31 -3.778 -10.330 -7.134
221 H VAL 32 H VAL 32 -2.265 -7.088 1.330
222 HA VAL 32 HA VAL 32 -0.503 -9.465 1.585
223 HB VAL 32 HB VAL 32 0.211 -6.525 1.688
224 HG11 VAL 32 1HG1 VAL 32 1.894 -7.945 2.823
225 HG12 VAL 32 2HG1 VAL 32 1.967 -9.006 1.404
226 HG13 VAL 32 3HG1 VAL 32 2.524 -7.321 1.301
227 HG21 VAL 32 3HG2 VAL 32 1.167 -6.917 -0.584
228 HG22 VAL 32 1HG2 VAL 32 0.485 -8.557 -0.582
229 HG23 VAL 32 2HG2 VAL 32 -0.578 -7.136 -0.582
230 H HIS 33 H HIS 33 -2.049 -6.992 3.627
231 HA HIS 33 HA HIS 33 -0.717 -8.213 6.039
232 HB2 HIS 33 1HB HIS 33 -1.370 -5.288 5.561
233 HB3 HIS 33 2HB HIS 33 -0.519 -5.969 6.940
234 HD1 HIS 33 1HD HIS 33 1.932 -7.327 6.038
235 HD2 HIS 33 2HD HIS 33 0.184 -4.195 3.854
236 HE1 HIS 33 1HE HIS 33 3.792 -6.370 4.595
237 H LYS 34 H LYS 34 -3.689 -6.920 4.761
238 HA LYS 34 HA LYS 34 -5.799 -6.664 5.464
239 HB2 LYS 34 1HB LYS 34 -5.561 -8.958 6.510
240 HB3 LYS 34 2HB LYS 34 -5.191 -8.147 8.036
241 HG2 LYS 34 1HG LYS 34 -7.437 -6.965 7.860
242 HG3 LYS 34 2HG LYS 34 -7.760 -7.912 6.412
243 HD2 LYS 34 1HD LYS 34 -8.885 -8.902 8.315
244 HD3 LYS 34 2HD LYS 34 -7.623 -9.991 7.748
245 HE2 LYS 34 1HE LYS 34 -7.677 -9.958 10.176
246 HE3 LYS 34 2HE LYS 34 -6.146 -9.297 9.602
247 HZ1 LYS 34 3HZ LYS 34 -7.004 -7.057 10.063
248 HZ2 LYS 34 1HZ LYS 34 -7.153 -7.972 11.408
249 HZ3 LYS 34 2HZ LYS 34 -8.461 -7.624 10.492
250 H LYS 35 H LYS 35 -6.982 -5.083 6.541
251 HA LYS 35 HA LYS 35 -5.512 -3.015 7.968
252 HB2 LYS 35 1HB LYS 35 -7.446 -1.747 7.994
253 HB3 LYS 35 2HB LYS 35 -7.458 -2.545 6.445
254 HG2 LYS 35 1HG LYS 35 -9.092 -3.455 8.867
255 HG3 LYS 35 2HG LYS 35 -9.669 -2.308 7.684
256 HD2 LYS 35 1HD LYS 35 -8.969 -5.207 7.066
257 HD3 LYS 35 2HD LYS 35 -10.580 -4.555 7.359
258 HE2 LYS 35 1HE LYS 35 -10.224 -2.948 5.429
259 HE3 LYS 35 2HE LYS 35 -8.729 -3.808 5.050
260 HZ1 LYS 35 3HZ LYS 35 -10.546 -4.671 3.728
261 HZ2 LYS 35 1HZ LYS 35 -11.465 -4.972 5.046
262 HZ3 LYS 35 2HZ LYS 35 -10.108 -5.845 4.780
263 H ILE 36 H ILE 36 -6.443 -2.137 10.085
264 HA ILE 36 HA ILE 36 -5.732 -3.975 12.096
265 HB ILE 36 HB ILE 36 -5.458 -1.517 12.129
266 HG12 ILE 36 1HG1 ILE 36 -6.860 -2.550 14.625
267 HG13 ILE 36 2HG1 ILE 36 -5.211 -2.975 14.150
268 HG21 ILE 36 1HG2 ILE 36 -7.237 -0.015 12.803
269 HG22 ILE 36 2HG2 ILE 36 -7.787 -0.895 11.384
270 HG23 ILE 36 3HG2 ILE 36 -8.381 -1.353 12.994
271 HD11 ILE 36 3HD1 ILE 36 -4.585 -0.553 14.245
272 HD12 ILE 36 1HD1 ILE 36 -6.217 -0.187 14.859
273 HD13 ILE 36 2HD1 ILE 36 -5.127 -1.214 15.800
274 H LYS 37 H LYS 37 -8.926 -3.356 10.840
275 HA LYS 37 HA LYS 37 -10.474 -4.328 13.078
276 HB2 LYS 37 1HB LYS 37 -11.217 -3.972 10.145
277 HB3 LYS 37 2HB LYS 37 -12.345 -4.335 11.454
278 HG2 LYS 37 1HG LYS 37 -11.698 -2.216 12.603
279 HG3 LYS 37 2HG LYS 37 -10.634 -1.815 11.239
280 HD2 LYS 37 1HD LYS 37 -12.580 -1.840 9.704
281 HD3 LYS 37 2HD LYS 37 -13.648 -2.246 11.066
282 HE2 LYS 37 1HE LYS 37 -12.976 -0.138 12.208
283 HE3 LYS 37 2HE LYS 37 -11.934 0.270 10.839
284 HZ1 LYS 37 3HZ LYS 37 -14.092 1.371 10.671
285 HZ2 LYS 37 1HZ LYS 37 -14.887 -0.052 10.699
286 HZ3 LYS 37 2HZ LYS 37 -13.927 0.326 9.430
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -0.168 29.310 5.957
2 H2 GLY 1 2H GLY 1 -1.390 30.003 6.798
3 H3 GLY 1 3H GLY 1 -0.081 30.893 6.371
4 HA2 GLY 1 1HA GLY 1 -1.928 31.450 4.946
5 HA3 GLY 1 2HA GLY 1 -0.615 30.681 4.036
6 H SER 2 H SER 2 -2.099 30.010 2.411
7 HA SER 2 HA SER 2 -4.336 28.235 3.004
8 HB2 SER 2 1HB SER 2 -4.508 28.112 0.525
9 HB3 SER 2 2HB SER 2 -4.543 29.757 1.174
10 HG SER 2 HG SER 2 -3.156 29.564 -0.654
11 H SER 3 H SER 3 -4.586 26.099 2.050
12 HA SER 3 HA SER 3 -2.507 24.292 2.774
13 HB2 SER 3 1HB SER 3 -4.966 23.783 1.059
14 HB3 SER 3 2HB SER 3 -3.978 22.555 1.874
15 HG SER 3 HG SER 3 -5.851 23.124 3.093
16 H GLY 4 H GLY 4 -1.158 22.947 1.578
17 HA2 GLY 4 1HA GLY 4 -0.043 24.004 -0.851
18 HA3 GLY 4 2HA GLY 4 0.389 22.483 -0.078
19 H SER 5 H SER 5 -0.246 23.424 -2.952
20 HA SER 5 HA SER 5 -2.607 22.104 -3.841
21 HB2 SER 5 1HB SER 5 -0.149 22.882 -5.451
22 HB3 SER 5 2HB SER 5 -1.778 22.579 -6.083
23 HG SER 5 HG SER 5 -1.365 24.822 -5.792
24 H SER 6 H SER 6 0.472 20.707 -3.122
25 HA SER 6 HA SER 6 0.537 18.603 -5.047
26 HB2 SER 6 1HB SER 6 1.824 18.694 -2.295
27 HB3 SER 6 2HB SER 6 2.308 17.674 -3.663
28 HG SER 6 HG SER 6 3.605 19.566 -3.493
29 H GLY 7 H GLY 7 -1.388 18.851 -2.170
30 HA2 GLY 7 1HA GLY 7 -2.919 17.393 -1.220
31 HA3 GLY 7 2HA GLY 7 -2.632 16.268 -2.543
32 H GLU 8 H GLU 8 -2.917 14.678 -0.799
33 HA GLU 8 HA GLU 8 -0.791 14.390 1.212
34 HB2 GLU 8 1HB GLU 8 -3.179 13.970 1.721
35 HB3 GLU 8 2HB GLU 8 -3.179 12.613 0.588
36 HG2 GLU 8 1HG GLU 8 -1.482 11.451 1.968
37 HG3 GLU 8 2HG GLU 8 -1.401 12.836 3.061
38 H LYS 9 H LYS 9 0.750 12.836 1.318
39 HA LYS 9 HA LYS 9 0.971 10.764 -0.812
40 HB2 LYS 9 1HB LYS 9 2.670 12.556 -1.170
41 HB3 LYS 9 2HB LYS 9 3.261 12.312 0.470
42 HG2 LYS 9 1HG LYS 9 4.751 11.236 -1.068
43 HG3 LYS 9 2HG LYS 9 3.944 9.984 -0.129
44 HD2 LYS 9 1HD LYS 9 2.441 9.496 -2.050
45 HD3 LYS 9 2HD LYS 9 3.166 10.841 -2.958
46 HE2 LYS 9 1HE LYS 9 5.391 9.711 -2.779
47 HE3 LYS 9 2HE LYS 9 4.623 8.347 -1.958
48 HZ1 LYS 9 3HZ LYS 9 4.920 7.995 -4.373
49 HZ2 LYS 9 1HZ LYS 9 3.932 9.247 -4.706
50 HZ3 LYS 9 2HZ LYS 9 3.344 7.902 -3.970
51 H PHE 10 H PHE 10 1.407 8.720 -0.076
52 HA PHE 10 HA PHE 10 1.597 8.276 2.857
53 HB2 PHE 10 1HB PHE 10 -0.791 8.332 1.496
54 HB3 PHE 10 2HB PHE 10 -0.380 6.646 1.338
55 HD1 PHE 10 2HD PHE 10 -0.808 9.446 3.742
56 HD2 PHE 10 1HD PHE 10 -0.734 5.168 3.254
57 HE1 PHE 10 2HE PHE 10 -1.715 9.165 6.050
58 HE2 PHE 10 1HE PHE 10 -1.630 4.884 5.552
59 HZ PHE 10 HZ PHE 10 -2.127 6.881 6.952
60 H ALA 11 H ALA 11 2.063 6.109 3.512
61 HA ALA 11 HA ALA 11 3.348 4.300 1.543
62 HB1 ALA 11 1HB ALA 11 5.357 4.145 2.949
63 HB2 ALA 11 2HB ALA 11 5.118 5.826 2.435
64 HB3 ALA 11 3HB ALA 11 4.687 5.332 4.087
65 H CYS 12 H CYS 12 3.738 2.121 2.425
66 HA CYS 12 HA CYS 12 1.526 1.134 3.948
67 HB2 CYS 12 1HB CYS 12 2.684 -0.105 2.183
68 HB3 CYS 12 2HB CYS 12 4.147 -0.177 3.167
69 H ASP 13 H ASP 13 1.327 0.436 5.998
70 HA ASP 13 HA ASP 13 3.123 1.617 8.022
71 HB2 ASP 13 1HB ASP 13 0.618 1.841 8.074
72 HB3 ASP 13 2HB ASP 13 0.510 0.109 8.380
73 H TYR 14 H TYR 14 2.899 -1.343 6.424
74 HA TYR 14 HA TYR 14 3.971 -2.947 8.719
75 HB2 TYR 14 1HB TYR 14 2.480 -3.881 6.270
76 HB3 TYR 14 2HB TYR 14 2.898 -4.846 7.674
77 HD1 TYR 14 2HD TYR 14 1.653 -4.549 9.820
78 HD2 TYR 14 1HD TYR 14 0.565 -2.391 6.245
79 HE1 TYR 14 2HE TYR 14 -0.562 -4.006 10.820
80 HE2 TYR 14 1HE TYR 14 -1.647 -1.838 7.255
81 HH TYR 14 HH TYR 14 -2.573 -2.945 10.535
82 H CYS 15 H CYS 15 4.676 -1.901 5.457
83 HA CYS 15 HA CYS 15 7.318 -3.155 5.556
84 HB2 CYS 15 1HB CYS 15 7.179 -4.323 3.494
85 HB3 CYS 15 2HB CYS 15 5.849 -4.878 4.500
86 H SER 16 H SER 16 8.411 -2.534 3.256
87 HA SER 16 HA SER 16 8.440 0.392 3.324
88 HB2 SER 16 1HB SER 16 10.601 0.149 2.099
89 HB3 SER 16 2HB SER 16 10.543 -0.733 3.630
90 HG SER 16 HG SER 16 11.414 -2.005 1.914
91 H PHE 17 H PHE 17 6.261 -0.918 1.936
92 HA PHE 17 HA PHE 17 6.659 -0.352 -0.915
93 HB2 PHE 17 1HB PHE 17 5.367 -2.296 -0.225
94 HB3 PHE 17 2HB PHE 17 4.199 -1.259 0.588
95 HD1 PHE 17 2HD PHE 17 5.731 -1.873 -2.802
96 HD2 PHE 17 1HD PHE 17 2.281 -0.546 -0.588
97 HE1 PHE 17 2HE PHE 17 4.449 -1.665 -4.919
98 HE2 PHE 17 1HE PHE 17 0.998 -0.339 -2.710
99 HZ PHE 17 HZ PHE 17 2.083 -0.892 -4.875
100 H THR 18 H THR 18 5.914 1.237 -2.120
101 HA THR 18 HA THR 18 4.010 3.278 -1.164
102 HB THR 18 HB THR 18 5.408 5.096 -2.140
103 HG1 THR 18 1HG THR 18 7.625 4.694 -2.407
104 HG21 THR 18 3HG2 THR 18 6.924 5.403 -0.273
105 HG22 THR 18 1HG2 THR 18 6.826 3.680 0.152
106 HG23 THR 18 2HG2 THR 18 5.395 4.724 0.303
107 H CYS 19 H CYS 19 3.076 4.512 -2.968
108 HA CYS 19 HA CYS 19 3.573 3.477 -5.686
109 HB2 CYS 19 1HB CYS 19 1.800 2.043 -4.442
110 HB3 CYS 19 2HB CYS 19 0.738 3.454 -4.585
111 HG CYS 19 HG CYS 19 2.352 1.722 -6.936
112 H LEU 20 H LEU 20 2.232 4.659 -7.325
113 HA LEU 20 HA LEU 20 2.560 7.518 -7.010
114 HB2 LEU 20 1HB LEU 20 3.049 6.213 -9.069
115 HB3 LEU 20 2HB LEU 20 1.336 5.834 -9.232
116 HG LEU 20 HG LEU 20 0.823 8.226 -9.623
117 HD11 LEU 20 1HD1 LEU 20 2.694 9.822 -10.045
118 HD12 LEU 20 2HD1 LEU 20 3.847 8.620 -9.423
119 HD13 LEU 20 3HD1 LEU 20 2.616 9.332 -8.352
120 HD21 LEU 20 3HD2 LEU 20 1.360 6.743 -11.517
121 HD22 LEU 20 1HD2 LEU 20 3.079 7.173 -11.374
122 HD23 LEU 20 2HD2 LEU 20 1.882 8.407 -11.824
123 H SER 21 H SER 21 -0.130 5.361 -6.533
124 HA SER 21 HA SER 21 -1.842 7.655 -5.757
125 HB2 SER 21 1HB SER 21 -2.613 7.044 -7.999
126 HB3 SER 21 2HB SER 21 -2.805 5.354 -7.494
127 HG SER 21 HG SER 21 -4.769 6.625 -7.401
128 H LYS 22 H LYS 22 -3.144 7.287 -4.020
129 HA LYS 22 HA LYS 22 -2.243 5.297 -2.155
130 HB2 LYS 22 1HB LYS 22 -3.042 7.655 -1.668
131 HB3 LYS 22 2HB LYS 22 -4.698 7.080 -1.899
132 HG2 LYS 22 1HG LYS 22 -4.379 5.459 -0.031
133 HG3 LYS 22 2HG LYS 22 -2.696 5.995 0.143
134 HD2 LYS 22 1HD LYS 22 -3.512 8.292 0.693
135 HD3 LYS 22 2HD LYS 22 -5.186 7.710 0.554
136 HE2 LYS 22 1HE LYS 22 -4.709 6.027 2.356
137 HE3 LYS 22 2HE LYS 22 -3.075 6.682 2.503
138 HZ1 LYS 22 3HZ LYS 22 -4.458 7.695 4.164
139 HZ2 LYS 22 1HZ LYS 22 -5.589 8.148 3.072
140 HZ3 LYS 22 2HZ LYS 22 -4.124 8.863 3.065
141 H GLY 23 H GLY 23 -4.885 5.198 -4.456
142 HA2 GLY 23 1HA GLY 23 -6.554 3.236 -3.242
143 HA3 GLY 23 2HA GLY 23 -6.365 3.497 -4.980
144 H HIS 24 H HIS 24 -3.599 2.805 -5.231
145 HA HIS 24 HA HIS 24 -3.697 -0.082 -5.297
146 HB2 HIS 24 1HB HIS 24 -1.328 1.793 -5.598
147 HB3 HIS 24 2HB HIS 24 -1.394 0.106 -6.110
148 HD1 HIS 24 1HD HIS 24 -3.788 -0.158 -7.949
149 HD2 HIS 24 2HD HIS 24 -1.514 3.366 -7.627
150 HE1 HIS 24 1HE HIS 24 -4.234 1.174 -10.074
151 H LEU 25 H LEU 25 -2.191 2.278 -3.102
152 HA LEU 25 HA LEU 25 -0.818 0.349 -1.445
153 HB2 LEU 25 1HB LEU 25 -0.109 2.664 -1.616
154 HB3 LEU 25 2HB LEU 25 -1.677 3.234 -1.045
155 HG LEU 25 HG LEU 25 -1.277 2.245 1.175
156 HD11 LEU 25 1HD1 LEU 25 0.906 1.393 1.789
157 HD12 LEU 25 2HD1 LEU 25 1.509 1.574 0.125
158 HD13 LEU 25 3HD1 LEU 25 0.246 0.375 0.523
159 HD21 LEU 25 3HD2 LEU 25 -0.616 4.549 0.655
160 HD22 LEU 25 1HD2 LEU 25 1.006 3.995 0.182
161 HD23 LEU 25 2HD2 LEU 25 0.450 3.811 1.862
162 H LYS 26 H LYS 26 -4.055 1.838 -1.310
163 HA LYS 26 HA LYS 26 -4.873 0.738 1.191
164 HB2 LYS 26 1HB LYS 26 -5.928 2.589 -0.188
165 HB3 LYS 26 2HB LYS 26 -6.662 1.361 -1.205
166 HG2 LYS 26 1HG LYS 26 -7.070 1.567 1.814
167 HG3 LYS 26 2HG LYS 26 -8.071 2.409 0.629
168 HD2 LYS 26 1HD LYS 26 -8.661 0.188 -0.400
169 HD3 LYS 26 2HD LYS 26 -7.849 -0.607 0.954
170 HE2 LYS 26 1HE LYS 26 -10.146 1.378 1.227
171 HE3 LYS 26 2HE LYS 26 -10.351 -0.374 1.185
172 HZ1 LYS 26 3HZ LYS 26 -10.273 0.473 3.462
173 HZ2 LYS 26 1HZ LYS 26 -8.763 1.056 3.251
174 HZ3 LYS 26 2HZ LYS 26 -9.043 -0.565 3.201
175 H VAL 27 H VAL 27 -5.455 -0.579 -2.133
176 HA VAL 27 HA VAL 27 -6.516 -3.037 -1.109
177 HB VAL 27 HB VAL 27 -6.955 -2.114 -3.369
178 HG11 VAL 27 1HG1 VAL 27 -5.505 -2.688 -5.237
179 HG12 VAL 27 2HG1 VAL 27 -4.674 -1.623 -4.101
180 HG13 VAL 27 3HG1 VAL 27 -4.282 -3.356 -4.136
181 HG21 VAL 27 3HG2 VAL 27 -6.028 -5.009 -3.348
182 HG22 VAL 27 1HG2 VAL 27 -7.581 -4.419 -2.705
183 HG23 VAL 27 2HG2 VAL 27 -7.223 -4.272 -4.437
184 H HIS 28 H HIS 28 -3.142 -2.126 -1.760
185 HA HIS 28 HA HIS 28 -1.936 -4.680 -1.391
186 HB2 HIS 28 1HB HIS 28 -0.613 -2.853 -2.146
187 HB3 HIS 28 2HB HIS 28 -1.058 -1.845 -0.788
188 HD1 HIS 28 1HD HIS 28 1.299 -4.735 -1.617
189 HD2 HIS 28 2HD HIS 28 0.422 -1.944 1.400
190 HE1 HIS 28 1HE HIS 28 3.220 -4.868 0.032
191 H ILE 29 H ILE 29 -2.862 -2.232 1.125
192 HA ILE 29 HA ILE 29 -2.109 -3.901 3.342
193 HB ILE 29 HB ILE 29 -3.990 -1.532 3.121
194 HG12 ILE 29 1HG1 ILE 29 -1.206 -1.783 4.361
195 HG13 ILE 29 2HG1 ILE 29 -1.482 -1.248 2.710
196 HG21 ILE 29 1HG2 ILE 29 -3.880 -1.420 5.625
197 HG22 ILE 29 2HG2 ILE 29 -4.737 -2.838 5.056
198 HG23 ILE 29 3HG2 ILE 29 -3.064 -2.998 5.635
199 HD11 ILE 29 3HD1 ILE 29 -2.392 0.207 5.213
200 HD12 ILE 29 1HD1 ILE 29 -1.143 0.691 4.059
201 HD13 ILE 29 2HD1 ILE 29 -2.843 0.666 3.551
202 H GLU 30 H GLU 30 -5.267 -3.553 1.668
203 HA GLU 30 HA GLU 30 -6.756 -5.261 3.379
204 HB2 GLU 30 1HB GLU 30 -7.092 -4.820 0.388
205 HB3 GLU 30 2HB GLU 30 -8.285 -5.580 1.424
206 HG2 GLU 30 1HG GLU 30 -7.357 -2.708 1.589
207 HG3 GLU 30 2HG GLU 30 -8.874 -3.267 0.913
208 H ARG 31 H ARG 31 -4.378 -6.237 0.970
209 HA ARG 31 HA ARG 31 -5.427 -9.061 1.037
210 HB2 ARG 31 1HB ARG 31 -3.978 -7.548 -1.175
211 HB3 ARG 31 2HB ARG 31 -4.379 -9.272 -1.207
212 HG2 ARG 31 1HG ARG 31 -6.804 -8.694 -0.953
213 HG3 ARG 31 2HG ARG 31 -6.385 -6.976 -1.067
214 HD2 ARG 31 1HD ARG 31 -5.393 -7.358 -3.300
215 HD3 ARG 31 2HD ARG 31 -5.798 -9.070 -3.210
216 HE ARG 31 HE ARG 31 -7.605 -6.822 -3.758
217 HH11 ARG 31 2HH1 ARG 31 -7.561 -10.204 -2.826
218 HH12 ARG 31 1HH1 ARG 31 -9.211 -10.451 -3.326
219 HH21 ARG 31 2HH2 ARG 31 -9.700 -7.214 -4.369
220 HH22 ARG 31 1HH2 ARG 31 -10.380 -8.800 -4.174
221 H VAL 32 H VAL 32 -2.525 -7.109 1.404
222 HA VAL 32 HA VAL 32 -0.850 -9.535 1.616
223 HB VAL 32 HB VAL 32 -0.053 -6.609 1.622
224 HG11 VAL 32 1HG1 VAL 32 1.691 -8.022 2.629
225 HG12 VAL 32 2HG1 VAL 32 1.612 -9.134 1.246
226 HG13 VAL 32 3HG1 VAL 32 2.195 -7.467 1.035
227 HG21 VAL 32 3HG2 VAL 32 0.683 -7.068 -0.725
228 HG22 VAL 32 1HG2 VAL 32 -0.055 -8.681 -0.628
229 HG23 VAL 32 2HG2 VAL 32 -1.063 -7.220 -0.552
230 H HIS 33 H HIS 33 -2.095 -6.961 3.733
231 HA HIS 33 HA HIS 33 -0.465 -8.082 5.980
232 HB2 HIS 33 1HB HIS 33 -1.451 -5.259 5.521
233 HB3 HIS 33 2HB HIS 33 -0.515 -5.819 6.909
234 HD1 HIS 33 1HD HIS 33 1.886 -7.291 5.824
235 HD2 HIS 33 2HD HIS 33 0.101 -4.050 3.837
236 HE1 HIS 33 1HE HIS 33 3.668 -6.375 4.265
237 H LYS 34 H LYS 34 -3.825 -7.194 5.185
238 HA LYS 34 HA LYS 34 -4.767 -7.748 7.900
239 HB2 LYS 34 1HB LYS 34 -6.216 -7.568 5.233
240 HB3 LYS 34 2HB LYS 34 -7.017 -7.969 6.756
241 HG2 LYS 34 1HG LYS 34 -6.102 -5.817 7.741
242 HG3 LYS 34 2HG LYS 34 -5.564 -5.375 6.108
243 HD2 LYS 34 1HD LYS 34 -7.923 -5.642 5.309
244 HD3 LYS 34 2HD LYS 34 -8.428 -6.008 6.966
245 HE2 LYS 34 1HE LYS 34 -7.656 -3.787 7.723
246 HE3 LYS 34 2HE LYS 34 -7.079 -3.417 6.088
247 HZ1 LYS 34 3HZ LYS 34 -9.353 -3.624 5.288
248 HZ2 LYS 34 1HZ LYS 34 -9.268 -2.467 6.436
249 HZ3 LYS 34 2HZ LYS 34 -9.918 -3.930 6.803
250 H LYS 35 H LYS 35 -6.032 -9.503 8.566
251 HA LYS 35 HA LYS 35 -5.630 -12.136 7.257
252 HB2 LYS 35 1HB LYS 35 -4.637 -13.118 9.250
253 HB3 LYS 35 2HB LYS 35 -3.647 -11.793 8.651
254 HG2 LYS 35 1HG LYS 35 -4.561 -10.298 10.431
255 HG3 LYS 35 2HG LYS 35 -5.595 -11.612 11.000
256 HD2 LYS 35 1HD LYS 35 -3.692 -11.454 12.449
257 HD3 LYS 35 2HD LYS 35 -3.572 -12.963 11.533
258 HE2 LYS 35 1HE LYS 35 -1.948 -11.896 9.983
259 HE3 LYS 35 2HE LYS 35 -2.109 -10.367 10.856
260 HZ1 LYS 35 3HZ LYS 35 -0.149 -11.601 11.585
261 HZ2 LYS 35 1HZ LYS 35 -1.051 -12.890 12.023
262 HZ3 LYS 35 2HZ LYS 35 -1.197 -11.474 12.828
263 H ILE 36 H ILE 36 -6.688 -13.899 8.575
264 HA ILE 36 HA ILE 36 -9.476 -13.339 8.788
265 HB ILE 36 HB ILE 36 -9.808 -15.607 9.338
266 HG12 ILE 36 1HG1 ILE 36 -8.199 -16.101 11.042
267 HG13 ILE 36 2HG1 ILE 36 -8.109 -17.273 9.747
268 HG21 ILE 36 1HG2 ILE 36 -7.565 -15.449 7.290
269 HG22 ILE 36 2HG2 ILE 36 -8.790 -16.719 7.444
270 HG23 ILE 36 3HG2 ILE 36 -9.277 -15.073 7.013
271 HD11 ILE 36 3HD1 ILE 36 -6.025 -16.139 8.900
272 HD12 ILE 36 1HD1 ILE 36 -6.095 -15.060 10.320
273 HD13 ILE 36 2HD1 ILE 36 -5.886 -16.800 10.534
274 H LYS 37 H LYS 37 -10.912 -13.732 10.544
275 HA LYS 37 HA LYS 37 -9.900 -13.315 13.307
276 HB2 LYS 37 1HB LYS 37 -10.425 -11.093 12.310
277 HB3 LYS 37 2HB LYS 37 -12.076 -11.640 11.985
278 HG2 LYS 37 1HG LYS 37 -12.445 -11.961 14.425
279 HG3 LYS 37 2HG LYS 37 -10.777 -11.443 14.743
280 HD2 LYS 37 1HD LYS 37 -11.280 -9.221 13.757
281 HD3 LYS 37 2HD LYS 37 -12.946 -9.748 13.420
282 HE2 LYS 37 1HE LYS 37 -13.303 -10.140 15.854
283 HE3 LYS 37 2HE LYS 37 -11.653 -9.596 16.183
284 HZ1 LYS 37 3HZ LYS 37 -13.791 -7.917 14.978
285 HZ2 LYS 37 1HZ LYS 37 -12.265 -7.413 15.281
286 HZ3 LYS 37 2HZ LYS 37 -13.258 -7.804 16.515
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 12.753 13.347 2.784
2 H2 GLY 1 2H GLY 1 12.825 12.161 3.916
3 H3 GLY 1 3H GLY 1 13.011 13.725 4.358
4 HA2 GLY 1 1HA GLY 1 10.741 14.241 3.754
5 HA3 GLY 1 2HA GLY 1 10.539 12.550 3.259
6 H SER 2 H SER 2 8.867 13.748 5.136
7 HA SER 2 HA SER 2 9.249 12.002 7.469
8 HB2 SER 2 1HB SER 2 10.399 14.235 7.972
9 HB3 SER 2 2HB SER 2 8.784 14.970 7.930
10 HG SER 2 HG SER 2 9.457 14.301 10.052
11 H SER 3 H SER 3 7.297 12.341 8.992
12 HA SER 3 HA SER 3 5.107 11.894 9.336
13 HB2 SER 3 1HB SER 3 4.644 14.208 7.439
14 HB3 SER 3 2HB SER 3 3.521 13.611 8.669
15 HG SER 3 HG SER 3 5.006 14.206 10.277
16 H GLY 4 H GLY 4 6.212 10.265 7.183
17 HA2 GLY 4 1HA GLY 4 5.386 8.465 5.979
18 HA3 GLY 4 2HA GLY 4 3.762 8.937 6.461
19 H SER 5 H SER 5 2.623 8.860 4.609
20 HA SER 5 HA SER 5 3.525 9.347 1.965
21 HB2 SER 5 1HB SER 5 0.692 9.564 3.059
22 HB3 SER 5 2HB SER 5 1.153 9.361 1.364
23 HG SER 5 HG SER 5 1.053 7.503 3.415
24 H SER 6 H SER 6 3.505 11.108 0.599
25 HA SER 6 HA SER 6 2.260 13.642 1.320
26 HB2 SER 6 1HB SER 6 4.305 14.984 1.346
27 HB3 SER 6 2HB SER 6 4.275 13.829 2.683
28 HG SER 6 HG SER 6 6.318 13.885 1.655
29 H GLY 7 H GLY 7 2.150 15.141 -0.372
30 HA2 GLY 7 1HA GLY 7 1.915 15.778 -2.586
31 HA3 GLY 7 2HA GLY 7 3.470 14.997 -2.879
32 H GLU 8 H GLU 8 3.266 13.684 -4.582
33 HA GLU 8 HA GLU 8 0.806 12.125 -5.087
34 HB2 GLU 8 1HB GLU 8 1.853 11.556 -7.221
35 HB3 GLU 8 2HB GLU 8 1.777 13.297 -6.971
36 HG2 GLU 8 1HG GLU 8 4.123 13.461 -6.540
37 HG3 GLU 8 2HG GLU 8 4.289 11.729 -6.285
38 H LYS 9 H LYS 9 3.317 11.527 -3.066
39 HA LYS 9 HA LYS 9 3.633 8.646 -3.834
40 HB2 LYS 9 1HB LYS 9 5.401 10.276 -1.986
41 HB3 LYS 9 2HB LYS 9 5.679 8.638 -2.564
42 HG2 LYS 9 1HG LYS 9 5.776 11.208 -4.185
43 HG3 LYS 9 2HG LYS 9 7.120 10.166 -3.731
44 HD2 LYS 9 1HD LYS 9 6.115 8.333 -5.165
45 HD3 LYS 9 2HD LYS 9 4.890 9.502 -5.703
46 HE2 LYS 9 1HE LYS 9 6.864 11.042 -6.337
47 HE3 LYS 9 2HE LYS 9 7.909 9.640 -6.082
48 HZ1 LYS 9 3HZ LYS 9 5.741 9.937 -8.093
49 HZ2 LYS 9 1HZ LYS 9 6.474 8.485 -7.787
50 HZ3 LYS 9 2HZ LYS 9 7.328 9.743 -8.385
51 H PHE 10 H PHE 10 2.858 7.103 -2.663
52 HA PHE 10 HA PHE 10 1.891 7.624 0.113
53 HB2 PHE 10 1HB PHE 10 0.685 5.950 -2.103
54 HB3 PHE 10 2HB PHE 10 0.219 5.798 -0.415
55 HD1 PHE 10 1HD PHE 10 0.313 8.182 -3.297
56 HD2 PHE 10 2HD PHE 10 -1.248 7.372 0.641
57 HE1 PHE 10 1HE PHE 10 -1.260 10.087 -3.530
58 HE2 PHE 10 2HE PHE 10 -2.823 9.278 0.404
59 HZ PHE 10 HZ PHE 10 -2.836 10.634 -1.683
60 H ALA 11 H ALA 11 2.258 6.083 1.677
61 HA ALA 11 HA ALA 11 4.129 3.853 0.988
62 HB1 ALA 11 1HB ALA 11 5.503 4.498 2.911
63 HB2 ALA 11 2HB ALA 11 5.391 5.837 1.750
64 HB3 ALA 11 3HB ALA 11 4.427 5.875 3.244
65 H CYS 12 H CYS 12 4.064 2.037 2.201
66 HA CYS 12 HA CYS 12 1.659 1.361 3.641
67 HB2 CYS 12 1HB CYS 12 2.911 -0.163 2.217
68 HB3 CYS 12 2HB CYS 12 4.311 -0.058 3.299
69 H ASP 13 H ASP 13 1.379 0.901 5.780
70 HA ASP 13 HA ASP 13 3.097 2.359 7.714
71 HB2 ASP 13 1HB ASP 13 0.594 2.693 7.592
72 HB3 ASP 13 2HB ASP 13 0.401 1.035 8.157
73 H TYR 14 H TYR 14 2.824 -0.774 6.502
74 HA TYR 14 HA TYR 14 3.703 -2.082 9.051
75 HB2 TYR 14 1HB TYR 14 2.218 -3.347 6.751
76 HB3 TYR 14 2HB TYR 14 2.486 -4.018 8.350
77 HD1 TYR 14 2HD TYR 14 1.420 -2.690 10.367
78 HD2 TYR 14 1HD TYR 14 0.232 -2.190 6.249
79 HE1 TYR 14 2HE TYR 14 -0.732 -1.677 11.108
80 HE2 TYR 14 1HE TYR 14 -1.933 -1.203 6.997
81 HH TYR 14 HH TYR 14 -2.717 -0.729 10.458
82 H CYS 15 H CYS 15 4.637 -1.545 5.734
83 HA CYS 15 HA CYS 15 7.163 -2.934 6.187
84 HB2 CYS 15 1HB CYS 15 7.076 -4.399 4.308
85 HB3 CYS 15 2HB CYS 15 5.674 -4.730 5.312
86 H SER 16 H SER 16 8.455 -2.752 3.930
87 HA SER 16 HA SER 16 8.734 0.126 3.563
88 HB2 SER 16 1HB SER 16 10.473 -2.120 2.488
89 HB3 SER 16 2HB SER 16 10.888 -0.394 2.546
90 HG SER 16 HG SER 16 11.787 -1.566 4.307
91 H PHE 17 H PHE 17 6.443 -1.005 2.276
92 HA PHE 17 HA PHE 17 6.936 -0.896 -0.635
93 HB2 PHE 17 1HB PHE 17 5.417 -2.567 0.195
94 HB3 PHE 17 2HB PHE 17 4.462 -1.358 1.037
95 HD1 PHE 17 2HD PHE 17 5.312 -2.749 -2.298
96 HD2 PHE 17 1HD PHE 17 2.793 -0.012 -0.112
97 HE1 PHE 17 2HE PHE 17 3.805 -2.554 -4.265
98 HE2 PHE 17 1HE PHE 17 1.284 0.165 -2.071
99 HZ PHE 17 HZ PHE 17 1.787 -1.103 -4.151
100 H THR 18 H THR 18 6.329 0.678 -2.026
101 HA THR 18 HA THR 18 4.864 3.065 -1.070
102 HB THR 18 HB THR 18 6.393 4.534 -2.413
103 HG1 THR 18 1HG THR 18 7.484 2.929 -3.599
104 HG21 THR 18 3HG2 THR 18 7.740 3.133 -0.069
105 HG22 THR 18 1HG2 THR 18 6.534 4.432 0.055
106 HG23 THR 18 2HG2 THR 18 8.104 4.752 -0.702
107 H CYS 19 H CYS 19 3.706 4.199 -2.617
108 HA CYS 19 HA CYS 19 3.466 3.172 -5.366
109 HB2 CYS 19 1HB CYS 19 1.112 2.526 -5.060
110 HB3 CYS 19 2HB CYS 19 2.183 1.562 -4.047
111 HG CYS 19 HG CYS 19 1.875 3.000 -1.858
112 H LEU 20 H LEU 20 1.372 4.243 -6.376
113 HA LEU 20 HA LEU 20 1.940 7.131 -6.174
114 HB2 LEU 20 1HB LEU 20 0.633 5.435 -8.340
115 HB3 LEU 20 2HB LEU 20 0.869 7.164 -8.436
116 HG LEU 20 HG LEU 20 2.510 6.220 -9.764
117 HD11 LEU 20 1HD1 LEU 20 4.589 7.016 -8.848
118 HD12 LEU 20 2HD1 LEU 20 3.962 6.926 -7.188
119 HD13 LEU 20 3HD1 LEU 20 3.281 8.101 -8.338
120 HD21 LEU 20 3HD2 LEU 20 4.116 4.564 -9.210
121 HD22 LEU 20 1HD2 LEU 20 2.525 3.914 -8.786
122 HD23 LEU 20 2HD2 LEU 20 3.623 4.516 -7.515
123 H SER 21 H SER 21 -0.588 5.234 -4.934
124 HA SER 21 HA SER 21 -2.147 7.654 -4.489
125 HB2 SER 21 1HB SER 21 -4.167 7.098 -5.509
126 HB3 SER 21 2HB SER 21 -2.949 6.795 -6.751
127 HG SER 21 HG SER 21 -4.575 5.138 -6.513
128 H LYS 22 H LYS 22 -3.936 7.420 -3.026
129 HA LYS 22 HA LYS 22 -3.624 5.586 -0.851
130 HB2 LYS 22 1HB LYS 22 -4.745 7.838 -0.818
131 HB3 LYS 22 2HB LYS 22 -6.121 7.131 -1.677
132 HG2 LYS 22 1HG LYS 22 -6.470 5.542 0.208
133 HG3 LYS 22 2HG LYS 22 -5.081 6.233 1.056
134 HD2 LYS 22 1HD LYS 22 -7.626 7.737 0.299
135 HD3 LYS 22 2HD LYS 22 -7.286 7.037 1.887
136 HE2 LYS 22 1HE LYS 22 -5.277 8.499 2.098
137 HE3 LYS 22 2HE LYS 22 -5.661 9.241 0.539
138 HZ1 LYS 22 3HZ LYS 22 -6.520 10.567 2.380
139 HZ2 LYS 22 1HZ LYS 22 -7.412 9.323 2.940
140 HZ3 LYS 22 2HZ LYS 22 -7.771 10.004 1.498
141 H GLY 23 H GLY 23 -5.399 5.304 -3.885
142 HA2 GLY 23 1HA GLY 23 -6.991 2.979 -3.261
143 HA3 GLY 23 2HA GLY 23 -6.500 3.530 -4.870
144 H HIS 24 H HIS 24 -3.737 3.335 -4.818
145 HA HIS 24 HA HIS 24 -3.194 0.517 -5.016
146 HB2 HIS 24 1HB HIS 24 -1.372 2.944 -4.834
147 HB3 HIS 24 2HB HIS 24 -0.790 1.293 -5.063
148 HD1 HIS 24 1HD HIS 24 -2.632 4.048 -6.972
149 HD2 HIS 24 2HD HIS 24 -1.080 0.169 -7.475
150 HE1 HIS 24 1HE HIS 24 -2.581 3.618 -9.493
151 H LEU 25 H LEU 25 -2.482 2.883 -2.404
152 HA LEU 25 HA LEU 25 -1.168 1.088 -0.646
153 HB2 LEU 25 1HB LEU 25 -1.110 3.519 -0.432
154 HB3 LEU 25 2HB LEU 25 -2.843 3.572 -0.126
155 HG LEU 25 HG LEU 25 -2.562 2.421 2.016
156 HD11 LEU 25 1HD1 LEU 25 -0.600 1.012 1.586
157 HD12 LEU 25 2HD1 LEU 25 -0.292 2.083 2.953
158 HD13 LEU 25 3HD1 LEU 25 0.416 2.455 1.367
159 HD21 LEU 25 3HD2 LEU 25 -0.632 4.753 1.693
160 HD22 LEU 25 1HD2 LEU 25 -1.396 4.216 3.202
161 HD23 LEU 25 2HD2 LEU 25 -2.394 4.885 1.901
162 H LYS 26 H LYS 26 -4.683 1.877 -0.859
163 HA LYS 26 HA LYS 26 -5.555 0.114 1.210
164 HB2 LYS 26 1HB LYS 26 -6.930 1.916 0.211
165 HB3 LYS 26 2HB LYS 26 -7.027 1.012 -1.309
166 HG2 LYS 26 1HG LYS 26 -8.198 -0.842 -0.133
167 HG3 LYS 26 2HG LYS 26 -8.066 0.046 1.397
168 HD2 LYS 26 1HD LYS 26 -9.453 1.874 0.454
169 HD3 LYS 26 2HD LYS 26 -9.555 1.000 -1.092
170 HE2 LYS 26 1HE LYS 26 -10.637 -0.918 0.075
171 HE3 LYS 26 2HE LYS 26 -10.549 -0.038 1.604
172 HZ1 LYS 26 3HZ LYS 26 -12.004 1.664 0.633
173 HZ2 LYS 26 1HZ LYS 26 -12.730 0.205 0.568
174 HZ3 LYS 26 2HZ LYS 26 -12.083 0.849 -0.784
175 H VAL 27 H VAL 27 -5.219 -0.515 -2.315
176 HA VAL 27 HA VAL 27 -6.025 -3.264 -2.202
177 HB VAL 27 HB VAL 27 -4.274 -1.751 -4.169
178 HG11 VAL 27 1HG1 VAL 27 -4.657 -3.626 -5.749
179 HG12 VAL 27 2HG1 VAL 27 -3.660 -4.126 -4.386
180 HG13 VAL 27 3HG1 VAL 27 -5.380 -4.581 -4.438
181 HG21 VAL 27 3HG2 VAL 27 -6.279 -1.855 -5.585
182 HG22 VAL 27 1HG2 VAL 27 -7.136 -2.814 -4.359
183 HG23 VAL 27 2HG2 VAL 27 -6.711 -1.127 -4.034
184 H HIS 28 H HIS 28 -2.733 -1.823 -1.828
185 HA HIS 28 HA HIS 28 -1.349 -4.284 -1.474
186 HB2 HIS 28 1HB HIS 28 -0.185 -2.205 -1.848
187 HB3 HIS 28 2HB HIS 28 -0.844 -1.492 -0.380
188 HD1 HIS 28 1HD HIS 28 1.652 -4.266 -1.393
189 HD2 HIS 28 2HD HIS 28 0.498 -1.836 1.835
190 HE1 HIS 28 1HE HIS 28 3.359 -4.695 0.435
191 H ILE 29 H ILE 29 -2.869 -2.181 1.046
192 HA ILE 29 HA ILE 29 -2.259 -3.917 3.238
193 HB ILE 29 HB ILE 29 -4.368 -1.771 2.846
194 HG12 ILE 29 1HG1 ILE 29 -1.804 -1.774 4.513
195 HG13 ILE 29 2HG1 ILE 29 -1.865 -1.189 2.860
196 HG21 ILE 29 1HG2 ILE 29 -3.644 -3.208 5.447
197 HG22 ILE 29 2HG2 ILE 29 -4.692 -1.783 5.311
198 HG23 ILE 29 3HG2 ILE 29 -5.205 -3.301 4.602
199 HD11 ILE 29 3HD1 ILE 29 -3.365 0.015 5.212
200 HD12 ILE 29 1HD1 ILE 29 -1.999 0.701 4.325
201 HD13 ILE 29 2HD1 ILE 29 -3.567 0.512 3.514
202 H GLU 30 H GLU 30 -5.180 -3.779 1.164
203 HA GLU 30 HA GLU 30 -6.535 -5.862 2.600
204 HB2 GLU 30 1HB GLU 30 -7.418 -3.907 1.073
205 HB3 GLU 30 2HB GLU 30 -7.252 -5.088 -0.224
206 HG2 GLU 30 1HG GLU 30 -8.702 -6.644 1.297
207 HG3 GLU 30 2HG GLU 30 -8.968 -5.228 2.298
208 H ARG 31 H ARG 31 -3.882 -6.278 0.590
209 HA ARG 31 HA ARG 31 -4.657 -9.168 0.211
210 HB2 ARG 31 1HB ARG 31 -2.981 -7.428 -1.630
211 HB3 ARG 31 2HB ARG 31 -2.871 -9.184 -1.601
212 HG2 ARG 31 1HG ARG 31 -4.385 -8.890 -3.292
213 HG3 ARG 31 2HG ARG 31 -5.450 -9.207 -1.923
214 HD2 ARG 31 1HD ARG 31 -5.660 -6.644 -1.704
215 HD3 ARG 31 2HD ARG 31 -4.772 -6.542 -3.214
216 HE ARG 31 HE ARG 31 -6.632 -7.364 -4.396
217 HH11 ARG 31 2HH1 ARG 31 -7.425 -7.579 -0.958
218 HH12 ARG 31 1HH1 ARG 31 -9.081 -7.096 -1.264
219 HH21 ARG 31 2HH2 ARG 31 -8.847 -7.122 -4.667
220 HH22 ARG 31 1HH2 ARG 31 -9.882 -7.148 -3.265
221 H VAL 32 H VAL 32 -2.019 -6.983 1.129
222 HA VAL 32 HA VAL 32 -0.337 -9.296 1.881
223 HB VAL 32 HB VAL 32 0.308 -6.328 1.880
224 HG11 VAL 32 1HG1 VAL 32 1.906 -7.647 3.238
225 HG12 VAL 32 2HG1 VAL 32 2.119 -8.789 1.897
226 HG13 VAL 32 3HG1 VAL 32 2.666 -7.106 1.744
227 HG21 VAL 32 3HG2 VAL 32 1.498 -6.839 -0.271
228 HG22 VAL 32 1HG2 VAL 32 0.780 -8.462 -0.257
229 HG23 VAL 32 2HG2 VAL 32 -0.246 -7.020 -0.414
230 H HIS 33 H HIS 33 -2.265 -6.838 3.517
231 HA HIS 33 HA HIS 33 -1.171 -7.704 6.160
232 HB2 HIS 33 1HB HIS 33 -1.906 -4.885 5.332
233 HB3 HIS 33 2HB HIS 33 -1.279 -5.391 6.896
234 HD1 HIS 33 1HD HIS 33 1.297 -6.824 6.471
235 HD2 HIS 33 2HD HIS 33 -0.067 -3.822 3.869
236 HE1 HIS 33 1HE HIS 33 3.357 -5.985 5.249
237 H LYS 34 H LYS 34 -3.476 -8.843 4.965
238 HA LYS 34 HA LYS 34 -5.971 -7.800 5.764
239 HB2 LYS 34 1HB LYS 34 -5.088 -10.716 5.566
240 HB3 LYS 34 2HB LYS 34 -6.760 -10.163 5.635
241 HG2 LYS 34 1HG LYS 34 -6.436 -8.914 3.499
242 HG3 LYS 34 2HG LYS 34 -4.787 -9.567 3.391
243 HD2 LYS 34 1HD LYS 34 -5.721 -11.888 3.462
244 HD3 LYS 34 2HD LYS 34 -7.360 -11.207 3.505
245 HE2 LYS 34 1HE LYS 34 -6.927 -10.089 1.314
246 HE3 LYS 34 2HE LYS 34 -5.320 -10.836 1.274
247 HZ1 LYS 34 3HZ LYS 34 -6.934 -12.139 0.003
248 HZ2 LYS 34 1HZ LYS 34 -7.888 -12.332 1.310
249 HZ3 LYS 34 2HZ LYS 34 -6.405 -13.018 1.272
250 H LYS 35 H LYS 35 -3.588 -9.163 7.848
251 HA LYS 35 HA LYS 35 -5.221 -10.253 9.933
252 HB2 LYS 35 1HB LYS 35 -2.379 -9.143 10.042
253 HB3 LYS 35 2HB LYS 35 -3.113 -10.163 11.268
254 HG2 LYS 35 1HG LYS 35 -2.456 -10.958 8.398
255 HG3 LYS 35 2HG LYS 35 -1.604 -11.450 9.852
256 HD2 LYS 35 1HD LYS 35 -4.452 -12.242 9.099
257 HD3 LYS 35 2HD LYS 35 -3.009 -13.252 8.994
258 HE2 LYS 35 1HE LYS 35 -2.696 -13.056 11.465
259 HE3 LYS 35 2HE LYS 35 -4.183 -12.105 11.569
260 HZ1 LYS 35 3HZ LYS 35 -4.018 -14.911 10.600
261 HZ2 LYS 35 1HZ LYS 35 -5.396 -14.036 10.690
262 HZ3 LYS 35 2HZ LYS 35 -4.597 -14.446 12.050
263 H ILE 36 H ILE 36 -4.467 -6.935 9.270
264 HA ILE 36 HA ILE 36 -5.955 -6.161 11.729
265 HB ILE 36 HB ILE 36 -4.792 -4.035 11.798
266 HG12 ILE 36 1HG1 ILE 36 -3.846 -4.037 9.447
267 HG13 ILE 36 2HG1 ILE 36 -2.845 -3.445 10.754
268 HG21 ILE 36 1HG2 ILE 36 -4.254 -5.794 13.364
269 HG22 ILE 36 2HG2 ILE 36 -3.039 -6.470 12.267
270 HG23 ILE 36 3HG2 ILE 36 -2.801 -4.858 12.977
271 HD11 ILE 36 3HD1 ILE 36 -2.494 -6.171 9.448
272 HD12 ILE 36 1HD1 ILE 36 -1.529 -4.717 9.151
273 HD13 ILE 36 2HD1 ILE 36 -1.485 -5.484 10.740
274 H LYS 37 H LYS 37 -7.406 -4.467 11.557
275 HA LYS 37 HA LYS 37 -8.352 -3.789 8.809
276 HB2 LYS 37 1HB LYS 37 -10.109 -5.006 10.977
277 HB3 LYS 37 2HB LYS 37 -10.584 -4.554 9.338
278 HG2 LYS 37 1HG LYS 37 -8.962 -6.301 8.464
279 HG3 LYS 37 2HG LYS 37 -8.702 -6.815 10.145
280 HD2 LYS 37 1HD LYS 37 -11.223 -7.152 10.315
281 HD3 LYS 37 2HD LYS 37 -11.300 -6.927 8.566
282 HE2 LYS 37 1HE LYS 37 -9.754 -9.083 10.083
283 HE3 LYS 37 2HE LYS 37 -11.259 -9.307 9.190
284 HZ1 LYS 37 3HZ LYS 37 -9.997 -8.630 7.157
285 HZ2 LYS 37 1HZ LYS 37 -9.460 -10.021 7.822
286 HZ3 LYS 37 2HZ LYS 37 -8.599 -8.659 8.033
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 18.869 14.288 1.872
2 H2 GLY 1 2H GLY 1 20.108 13.551 2.651
3 H3 GLY 1 3H GLY 1 19.593 15.028 3.140
4 HA2 GLY 1 1HA GLY 1 18.020 12.539 3.288
5 HA3 GLY 1 2HA GLY 1 18.820 13.326 4.662
6 H SER 2 H SER 2 15.984 12.737 4.346
7 HA SER 2 HA SER 2 14.472 15.062 3.654
8 HB2 SER 2 1HB SER 2 13.726 12.767 5.505
9 HB3 SER 2 2HB SER 2 12.607 13.917 4.747
10 HG SER 2 HG SER 2 12.770 11.944 3.569
11 H SER 3 H SER 3 13.391 16.599 4.916
12 HA SER 3 HA SER 3 14.799 17.581 7.250
13 HB2 SER 3 1HB SER 3 13.089 19.375 7.156
14 HB3 SER 3 2HB SER 3 13.878 19.100 5.591
15 HG SER 3 HG SER 3 11.516 19.269 5.534
16 H GLY 4 H GLY 4 11.813 15.757 6.785
17 HA2 GLY 4 1HA GLY 4 10.427 14.678 8.290
18 HA3 GLY 4 2HA GLY 4 11.524 15.112 9.601
19 H SER 5 H SER 5 10.486 17.890 7.827
20 HA SER 5 HA SER 5 9.047 18.873 10.155
21 HB2 SER 5 1HB SER 5 8.978 20.990 8.923
22 HB3 SER 5 2HB SER 5 10.607 20.297 8.982
23 HG SER 5 HG SER 5 9.998 21.082 6.879
24 H SER 6 H SER 6 7.975 17.312 7.283
25 HA SER 6 HA SER 6 5.138 17.881 8.014
26 HB2 SER 6 1HB SER 6 4.545 18.085 5.632
27 HB3 SER 6 2HB SER 6 5.612 19.384 6.191
28 HG SER 6 HG SER 6 6.285 18.547 4.167
29 H GLY 7 H GLY 7 7.158 15.819 5.851
30 HA2 GLY 7 1HA GLY 7 7.170 13.523 5.521
31 HA3 GLY 7 2HA GLY 7 6.311 13.348 7.048
32 H GLU 8 H GLU 8 4.566 12.148 6.730
33 HA GLU 8 HA GLU 8 2.660 11.257 5.941
34 HB2 GLU 8 1HB GLU 8 2.154 13.668 6.658
35 HB3 GLU 8 2HB GLU 8 1.921 14.013 4.944
36 HG2 GLU 8 1HG GLU 8 0.134 12.250 4.873
37 HG3 GLU 8 2HG GLU 8 0.452 11.876 6.564
38 H LYS 9 H LYS 9 4.696 10.727 4.151
39 HA LYS 9 HA LYS 9 3.717 10.873 1.407
40 HB2 LYS 9 1HB LYS 9 6.146 10.458 2.222
41 HB3 LYS 9 2HB LYS 9 5.637 8.791 2.519
42 HG2 LYS 9 1HG LYS 9 4.932 8.686 0.063
43 HG3 LYS 9 2HG LYS 9 5.629 10.307 -0.133
44 HD2 LYS 9 1HD LYS 9 7.820 9.304 0.759
45 HD3 LYS 9 2HD LYS 9 7.062 7.716 0.606
46 HE2 LYS 9 1HE LYS 9 7.613 9.733 -1.621
47 HE3 LYS 9 2HE LYS 9 8.477 8.224 -1.329
48 HZ1 LYS 9 3HZ LYS 9 5.648 8.461 -2.198
49 HZ2 LYS 9 1HZ LYS 9 6.342 7.039 -1.799
50 HZ3 LYS 9 2HZ LYS 9 6.892 7.893 -3.083
51 H PHE 10 H PHE 10 2.728 9.189 0.194
52 HA PHE 10 HA PHE 10 0.920 7.429 1.704
53 HB2 PHE 10 1HB PHE 10 1.267 8.038 -1.245
54 HB3 PHE 10 2HB PHE 10 0.159 6.818 -0.638
55 HD1 PHE 10 1HD PHE 10 0.855 10.473 -0.717
56 HD2 PHE 10 2HD PHE 10 -1.867 7.392 0.586
57 HE1 PHE 10 1HE PHE 10 -0.815 12.203 -0.106
58 HE2 PHE 10 2HE PHE 10 -3.548 9.124 1.164
59 HZ PHE 10 HZ PHE 10 -3.019 11.532 0.839
60 H ALA 11 H ALA 11 2.191 6.019 2.753
61 HA ALA 11 HA ALA 11 3.496 3.856 1.197
62 HB1 ALA 11 1HB ALA 11 5.238 5.484 1.894
63 HB2 ALA 11 2HB ALA 11 4.705 5.322 3.584
64 HB3 ALA 11 3HB ALA 11 5.417 3.933 2.737
65 H CYS 12 H CYS 12 3.811 1.904 2.398
66 HA CYS 12 HA CYS 12 1.478 1.080 3.847
67 HB2 CYS 12 1HB CYS 12 2.689 -0.257 2.224
68 HB3 CYS 12 2HB CYS 12 4.134 -0.252 3.251
69 H ASP 13 H ASP 13 1.244 0.374 5.922
70 HA ASP 13 HA ASP 13 2.932 1.661 7.981
71 HB2 ASP 13 1HB ASP 13 0.422 1.831 7.951
72 HB3 ASP 13 2HB ASP 13 0.343 0.102 8.281
73 H TYR 14 H TYR 14 2.837 -1.336 6.427
74 HA TYR 14 HA TYR 14 3.871 -2.862 8.797
75 HB2 TYR 14 1HB TYR 14 2.438 -3.872 6.338
76 HB3 TYR 14 2HB TYR 14 2.883 -4.816 7.745
77 HD1 TYR 14 2HD TYR 14 1.609 -4.609 9.863
78 HD2 TYR 14 1HD TYR 14 0.493 -2.400 6.328
79 HE1 TYR 14 2HE TYR 14 -0.631 -4.155 10.852
80 HE2 TYR 14 1HE TYR 14 -1.743 -1.933 7.328
81 HH TYR 14 HH TYR 14 -2.670 -3.150 10.570
82 H CYS 15 H CYS 15 4.642 -1.933 5.493
83 HA CYS 15 HA CYS 15 7.273 -3.213 5.696
84 HB2 CYS 15 1HB CYS 15 7.125 -4.491 3.697
85 HB3 CYS 15 2HB CYS 15 5.776 -4.957 4.717
86 H SER 16 H SER 16 8.425 -2.754 3.404
87 HA SER 16 HA SER 16 8.565 0.156 3.312
88 HB2 SER 16 1HB SER 16 10.334 -1.887 1.924
89 HB3 SER 16 2HB SER 16 10.678 -0.159 2.132
90 HG SER 16 HG SER 16 11.730 -1.453 3.714
91 H PHE 17 H PHE 17 6.274 -1.026 2.028
92 HA PHE 17 HA PHE 17 6.576 -0.501 -0.863
93 HB2 PHE 17 1HB PHE 17 5.143 -2.322 -0.163
94 HB3 PHE 17 2HB PHE 17 4.176 -1.240 0.827
95 HD1 PHE 17 2HD PHE 17 4.957 -2.291 -2.636
96 HD2 PHE 17 1HD PHE 17 2.517 0.277 -0.173
97 HE1 PHE 17 2HE PHE 17 3.473 -1.831 -4.576
98 HE2 PHE 17 1HE PHE 17 1.056 0.752 -2.127
99 HZ PHE 17 HZ PHE 17 1.522 -0.316 -4.322
100 H THR 18 H THR 18 5.863 1.232 -1.980
101 HA THR 18 HA THR 18 4.037 3.190 -0.877
102 HB THR 18 HB THR 18 6.023 4.168 0.012
103 HG1 THR 18 1HG THR 18 4.536 5.589 -0.915
104 HG21 THR 18 3HG2 THR 18 7.899 4.966 -1.363
105 HG22 THR 18 1HG2 THR 18 7.200 4.186 -2.799
106 HG23 THR 18 2HG2 THR 18 7.782 3.204 -1.434
107 H CYS 19 H CYS 19 3.168 4.577 -2.487
108 HA CYS 19 HA CYS 19 3.663 3.847 -5.310
109 HB2 CYS 19 1HB CYS 19 2.154 2.095 -4.299
110 HB3 CYS 19 2HB CYS 19 0.932 3.358 -4.051
111 HG CYS 19 HG CYS 19 0.476 1.777 -6.194
112 H LEU 20 H LEU 20 2.776 5.249 -6.827
113 HA LEU 20 HA LEU 20 2.121 7.956 -6.014
114 HB2 LEU 20 1HB LEU 20 3.380 7.363 -8.067
115 HB3 LEU 20 2HB LEU 20 1.966 6.520 -8.698
116 HG LEU 20 HG LEU 20 0.722 8.663 -8.816
117 HD11 LEU 20 1HD1 LEU 20 3.353 9.913 -7.895
118 HD12 LEU 20 2HD1 LEU 20 1.803 9.955 -7.021
119 HD13 LEU 20 3HD1 LEU 20 1.966 10.806 -8.558
120 HD21 LEU 20 3HD2 LEU 20 3.453 8.751 -10.158
121 HD22 LEU 20 1HD2 LEU 20 1.997 9.633 -10.673
122 HD23 LEU 20 2HD2 LEU 20 2.028 7.865 -10.747
123 H SER 21 H SER 21 0.232 5.082 -6.814
124 HA SER 21 HA SER 21 -2.327 6.546 -6.912
125 HB2 SER 21 1HB SER 21 -2.178 4.694 -8.384
126 HB3 SER 21 2HB SER 21 -1.664 3.605 -7.084
127 HG SER 21 HG SER 21 -4.019 3.688 -7.761
128 H LYS 22 H LYS 22 -3.411 7.106 -5.224
129 HA LYS 22 HA LYS 22 -2.871 6.200 -2.505
130 HB2 LYS 22 1HB LYS 22 -5.123 7.935 -3.608
131 HB3 LYS 22 2HB LYS 22 -4.686 7.748 -1.903
132 HG2 LYS 22 1HG LYS 22 -2.448 8.732 -2.362
133 HG3 LYS 22 2HG LYS 22 -2.892 8.953 -4.063
134 HD2 LYS 22 1HD LYS 22 -4.787 10.417 -3.373
135 HD3 LYS 22 2HD LYS 22 -4.268 10.258 -1.680
136 HE2 LYS 22 1HE LYS 22 -2.044 11.200 -2.291
137 HE3 LYS 22 2HE LYS 22 -2.566 11.356 -3.970
138 HZ1 LYS 22 3HZ LYS 22 -2.813 13.454 -2.772
139 HZ2 LYS 22 1HZ LYS 22 -3.813 12.777 -1.674
140 HZ3 LYS 22 2HZ LYS 22 -4.282 12.919 -3.233
141 H GLY 23 H GLY 23 -4.873 4.999 -5.020
142 HA2 GLY 23 1HA GLY 23 -6.711 3.479 -3.265
143 HA3 GLY 23 2HA GLY 23 -6.624 3.438 -5.029
144 H HIS 24 H HIS 24 -3.860 2.852 -5.386
145 HA HIS 24 HA HIS 24 -3.814 0.027 -5.072
146 HB2 HIS 24 1HB HIS 24 -2.594 1.417 -6.766
147 HB3 HIS 24 2HB HIS 24 -1.453 1.886 -5.504
148 HD1 HIS 24 1HD HIS 24 -1.397 -1.349 -4.408
149 HD2 HIS 24 2HD HIS 24 -0.612 0.305 -8.195
150 HE1 HIS 24 1HE HIS 24 0.111 -3.020 -5.621
151 H LEU 25 H LEU 25 -2.434 2.583 -2.979
152 HA LEU 25 HA LEU 25 -1.031 0.867 -1.184
153 HB2 LEU 25 1HB LEU 25 -0.727 3.299 -1.293
154 HB3 LEU 25 2HB LEU 25 -2.391 3.561 -0.768
155 HG LEU 25 HG LEU 25 -1.878 2.561 1.441
156 HD11 LEU 25 1HD1 LEU 25 -0.051 1.004 0.820
157 HD12 LEU 25 2HD1 LEU 25 0.441 2.114 2.089
158 HD13 LEU 25 3HD1 LEU 25 0.995 2.391 0.418
159 HD21 LEU 25 3HD2 LEU 25 -0.414 4.371 2.249
160 HD22 LEU 25 1HD2 LEU 25 -1.625 4.972 1.105
161 HD23 LEU 25 2HD2 LEU 25 0.053 4.732 0.570
162 H LYS 26 H LYS 26 -4.469 1.854 -1.227
163 HA LYS 26 HA LYS 26 -5.153 0.501 1.263
164 HB2 LYS 26 1HB LYS 26 -6.947 1.347 -1.057
165 HB3 LYS 26 2HB LYS 26 -7.488 0.793 0.532
166 HG2 LYS 26 1HG LYS 26 -6.287 2.706 1.599
167 HG3 LYS 26 2HG LYS 26 -5.815 3.282 -0.006
168 HD2 LYS 26 1HD LYS 26 -8.280 3.449 -0.601
169 HD3 LYS 26 2HD LYS 26 -8.650 2.991 1.067
170 HE2 LYS 26 1HE LYS 26 -8.786 5.338 1.091
171 HE3 LYS 26 2HE LYS 26 -7.216 4.976 1.815
172 HZ1 LYS 26 3HZ LYS 26 -7.716 5.883 -0.971
173 HZ2 LYS 26 1HZ LYS 26 -6.242 5.406 -0.455
174 HZ3 LYS 26 2HZ LYS 26 -6.963 6.730 0.201
175 H VAL 27 H VAL 27 -5.427 -0.421 -2.188
176 HA VAL 27 HA VAL 27 -6.435 -3.060 -1.773
177 HB VAL 27 HB VAL 27 -4.693 -1.918 -3.991
178 HG11 VAL 27 1HG1 VAL 27 -6.154 -4.591 -3.908
179 HG12 VAL 27 2HG1 VAL 27 -5.481 -3.839 -5.372
180 HG13 VAL 27 3HG1 VAL 27 -4.398 -4.336 -4.074
181 HG21 VAL 27 3HG2 VAL 27 -7.678 -2.547 -3.861
182 HG22 VAL 27 1HG2 VAL 27 -6.973 -0.922 -3.763
183 HG23 VAL 27 2HG2 VAL 27 -6.808 -1.859 -5.249
184 H HIS 28 H HIS 28 -3.019 -1.933 -1.813
185 HA HIS 28 HA HIS 28 -1.775 -4.453 -1.395
186 HB2 HIS 28 1HB HIS 28 -0.518 -2.499 -2.046
187 HB3 HIS 28 2HB HIS 28 -0.998 -1.621 -0.604
188 HD1 HIS 28 1HD HIS 28 1.426 -4.382 -1.686
189 HD2 HIS 28 2HD HIS 28 0.382 -2.019 1.626
190 HE1 HIS 28 1HE HIS 28 3.253 -4.757 0.031
191 H ILE 29 H ILE 29 -2.789 -2.039 1.116
192 HA ILE 29 HA ILE 29 -2.134 -3.724 3.344
193 HB ILE 29 HB ILE 29 -3.995 -1.345 3.039
194 HG12 ILE 29 1HG1 ILE 29 -1.251 -1.607 4.370
195 HG13 ILE 29 2HG1 ILE 29 -1.480 -1.064 2.714
196 HG21 ILE 29 1HG2 ILE 29 -4.829 -2.603 4.959
197 HG22 ILE 29 2HG2 ILE 29 -3.180 -2.798 5.598
198 HG23 ILE 29 3HG2 ILE 29 -3.961 -1.201 5.550
199 HD11 ILE 29 3HD1 ILE 29 -1.166 0.871 4.064
200 HD12 ILE 29 1HD1 ILE 29 -2.858 0.852 3.529
201 HD13 ILE 29 2HD1 ILE 29 -2.434 0.390 5.198
202 H GLU 30 H GLU 30 -5.141 -3.461 1.453
203 HA GLU 30 HA GLU 30 -6.599 -5.257 3.189
204 HB2 GLU 30 1HB GLU 30 -7.204 -4.061 0.475
205 HB3 GLU 30 2HB GLU 30 -8.323 -5.111 1.328
206 HG2 GLU 30 1HG GLU 30 -7.270 -2.458 2.408
207 HG3 GLU 30 2HG GLU 30 -8.846 -2.725 1.679
208 H ARG 31 H ARG 31 -4.293 -6.058 0.796
209 HA ARG 31 HA ARG 31 -5.382 -8.860 0.813
210 HB2 ARG 31 1HB ARG 31 -4.837 -9.217 -1.403
211 HB3 ARG 31 2HB ARG 31 -5.575 -7.619 -1.381
212 HG2 ARG 31 1HG ARG 31 -3.165 -6.676 -1.345
213 HG3 ARG 31 2HG ARG 31 -2.628 -8.332 -1.681
214 HD2 ARG 31 1HD ARG 31 -4.066 -8.371 -3.711
215 HD3 ARG 31 2HD ARG 31 -4.552 -6.696 -3.379
216 HE ARG 31 HE ARG 31 -1.681 -6.912 -3.493
217 HH11 ARG 31 2HH1 ARG 31 -4.426 -6.885 -5.670
218 HH12 ARG 31 1HH1 ARG 31 -3.478 -6.294 -7.006
219 HH21 ARG 31 2HH2 ARG 31 -0.523 -6.189 -5.254
220 HH22 ARG 31 1HH2 ARG 31 -1.330 -5.913 -6.768
221 H VAL 32 H VAL 32 -2.526 -6.942 1.364
222 HA VAL 32 HA VAL 32 -0.850 -9.384 1.577
223 HB VAL 32 HB VAL 32 -0.026 -6.470 1.724
224 HG11 VAL 32 1HG1 VAL 32 1.642 -7.999 2.749
225 HG12 VAL 32 2HG1 VAL 32 1.617 -9.009 1.289
226 HG13 VAL 32 3HG1 VAL 32 2.237 -7.346 1.228
227 HG21 VAL 32 3HG2 VAL 32 -0.903 -6.915 -0.514
228 HG22 VAL 32 1HG2 VAL 32 0.852 -6.867 -0.596
229 HG23 VAL 32 2HG2 VAL 32 0.017 -8.435 -0.615
230 H HIS 33 H HIS 33 -2.233 -6.885 3.702
231 HA HIS 33 HA HIS 33 -0.745 -8.075 6.016
232 HB2 HIS 33 1HB HIS 33 -1.553 -5.193 5.557
233 HB3 HIS 33 2HB HIS 33 -0.694 -5.833 6.959
234 HD1 HIS 33 1HD HIS 33 1.729 -7.287 5.999
235 HD2 HIS 33 2HD HIS 33 0.031 -4.102 3.850
236 HE1 HIS 33 1HE HIS 33 3.562 -6.441 4.458
237 H LYS 34 H LYS 34 -2.297 -9.535 6.557
238 HA LYS 34 HA LYS 34 -4.584 -8.498 8.129
239 HB2 LYS 34 1HB LYS 34 -4.747 -10.618 5.931
240 HB3 LYS 34 2HB LYS 34 -5.999 -10.421 7.150
241 HG2 LYS 34 1HG LYS 34 -5.163 -8.211 5.223
242 HG3 LYS 34 2HG LYS 34 -6.496 -9.320 4.951
243 HD2 LYS 34 1HD LYS 34 -7.756 -8.512 6.779
244 HD3 LYS 34 2HD LYS 34 -6.412 -7.621 7.486
245 HE2 LYS 34 1HE LYS 34 -7.508 -6.939 4.736
246 HE3 LYS 34 2HE LYS 34 -8.226 -6.309 6.219
247 HZ1 LYS 34 3HZ LYS 34 -5.421 -5.823 5.350
248 HZ2 LYS 34 1HZ LYS 34 -6.026 -5.383 6.800
249 HZ3 LYS 34 2HZ LYS 34 -6.667 -4.739 5.437
250 H LYS 35 H LYS 35 -5.546 -10.177 9.515
251 HA LYS 35 HA LYS 35 -3.516 -11.248 11.233
252 HB2 LYS 35 1HB LYS 35 -6.542 -11.633 11.217
253 HB3 LYS 35 2HB LYS 35 -5.468 -12.169 12.515
254 HG2 LYS 35 1HG LYS 35 -4.706 -9.831 12.871
255 HG3 LYS 35 2HG LYS 35 -5.838 -9.279 11.621
256 HD2 LYS 35 1HD LYS 35 -7.748 -10.148 12.953
257 HD3 LYS 35 2HD LYS 35 -6.623 -10.779 14.159
258 HE2 LYS 35 1HE LYS 35 -7.504 -8.756 15.043
259 HE3 LYS 35 2HE LYS 35 -5.818 -8.458 14.617
260 HZ1 LYS 35 3HZ LYS 35 -8.163 -7.663 12.964
261 HZ2 LYS 35 1HZ LYS 35 -6.600 -7.345 12.590
262 HZ3 LYS 35 2HZ LYS 35 -7.287 -6.652 13.895
263 H ILE 36 H ILE 36 -5.065 -12.748 8.555
264 HA ILE 36 HA ILE 36 -3.525 -15.205 9.094
265 HB ILE 36 HB ILE 36 -5.846 -15.719 9.687
266 HG12 ILE 36 1HG1 ILE 36 -6.233 -17.686 8.265
267 HG13 ILE 36 2HG1 ILE 36 -5.029 -17.124 7.109
268 HG21 ILE 36 1HG2 ILE 36 -7.653 -15.761 8.046
269 HG22 ILE 36 2HG2 ILE 36 -7.039 -14.117 8.224
270 HG23 ILE 36 3HG2 ILE 36 -6.590 -15.082 6.800
271 HD11 ILE 36 3HD1 ILE 36 -4.473 -17.817 10.035
272 HD12 ILE 36 1HD1 ILE 36 -4.184 -18.891 8.652
273 HD13 ILE 36 2HD1 ILE 36 -3.250 -17.396 8.809
274 H LYS 37 H LYS 37 -2.539 -16.094 7.331
275 HA LYS 37 HA LYS 37 -2.705 -14.760 4.674
276 HB2 LYS 37 1HB LYS 37 -0.211 -15.031 6.410
277 HB3 LYS 37 2HB LYS 37 -0.183 -14.692 4.677
278 HG2 LYS 37 1HG LYS 37 -1.444 -12.596 5.028
279 HG3 LYS 37 2HG LYS 37 -1.562 -12.931 6.755
280 HD2 LYS 37 1HD LYS 37 0.181 -11.283 6.327
281 HD3 LYS 37 2HD LYS 37 0.827 -12.749 7.055
282 HE2 LYS 37 1HE LYS 37 2.349 -11.940 5.357
283 HE3 LYS 37 2HE LYS 37 1.693 -13.503 4.870
284 HZ1 LYS 37 3HZ LYS 37 0.193 -12.350 3.361
285 HZ2 LYS 37 1HZ LYS 37 1.715 -11.841 3.057
286 HZ3 LYS 37 2HZ LYS 37 0.678 -10.880 3.891
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 16.509 18.217 13.207
2 H2 GLY 1 2H GLY 1 15.339 18.546 12.106
3 H3 GLY 1 3H GLY 1 16.386 19.719 12.568
4 HA2 GLY 1 1HA GLY 1 18.240 18.560 11.568
5 HA3 GLY 1 2HA GLY 1 17.119 17.271 11.091
6 H SER 2 H SER 2 18.858 19.421 9.625
7 HA SER 2 HA SER 2 17.068 21.185 8.251
8 HB2 SER 2 1HB SER 2 19.043 21.620 6.809
9 HB3 SER 2 2HB SER 2 19.390 21.732 8.544
10 HG SER 2 HG SER 2 20.991 20.529 7.400
11 H SER 3 H SER 3 17.618 17.837 7.709
12 HA SER 3 HA SER 3 16.967 17.762 4.879
13 HB2 SER 3 1HB SER 3 16.883 15.306 5.288
14 HB3 SER 3 2HB SER 3 18.388 16.072 5.825
15 HG SER 3 HG SER 3 17.528 14.611 7.393
16 H GLY 4 H GLY 4 14.990 18.370 7.543
17 HA2 GLY 4 1HA GLY 4 12.697 16.760 7.010
18 HA3 GLY 4 2HA GLY 4 12.768 18.188 8.039
19 H SER 5 H SER 5 13.548 18.518 4.621
20 HA SER 5 HA SER 5 11.538 20.554 4.270
21 HB2 SER 5 1HB SER 5 13.372 19.251 2.228
22 HB3 SER 5 2HB SER 5 12.501 20.785 2.033
23 HG SER 5 HG SER 5 14.680 21.106 2.688
24 H SER 6 H SER 6 11.232 17.191 3.887
25 HA SER 6 HA SER 6 8.887 17.451 2.041
26 HB2 SER 6 1HB SER 6 10.987 15.253 1.985
27 HB3 SER 6 2HB SER 6 9.542 15.346 0.967
28 HG SER 6 HG SER 6 10.372 17.246 0.030
29 H GLY 7 H GLY 7 7.287 15.842 2.219
30 HA2 GLY 7 1HA GLY 7 7.173 13.758 4.160
31 HA3 GLY 7 2HA GLY 7 6.542 15.222 4.917
32 H GLU 8 H GLU 8 5.852 15.174 1.566
33 HA GLU 8 HA GLU 8 3.000 14.791 2.106
34 HB2 GLU 8 1HB GLU 8 2.698 15.716 -0.132
35 HB3 GLU 8 2HB GLU 8 3.675 16.754 0.888
36 HG2 GLU 8 1HG GLU 8 5.058 14.820 -0.998
37 HG3 GLU 8 2HG GLU 8 4.305 16.270 -1.642
38 H LYS 9 H LYS 9 5.296 12.591 1.362
39 HA LYS 9 HA LYS 9 3.970 10.988 -0.667
40 HB2 LYS 9 1HB LYS 9 5.689 9.338 -0.211
41 HB3 LYS 9 2HB LYS 9 6.401 10.944 -0.349
42 HG2 LYS 9 1HG LYS 9 6.525 11.093 2.149
43 HG3 LYS 9 2HG LYS 9 5.835 9.463 2.264
44 HD2 LYS 9 1HD LYS 9 7.770 8.548 1.017
45 HD3 LYS 9 2HD LYS 9 8.460 10.184 0.889
46 HE2 LYS 9 1HE LYS 9 8.532 10.339 3.372
47 HE3 LYS 9 2HE LYS 9 7.855 8.710 3.495
48 HZ1 LYS 9 3HZ LYS 9 9.843 7.869 2.357
49 HZ2 LYS 9 1HZ LYS 9 10.274 8.681 3.705
50 HZ3 LYS 9 2HZ LYS 9 10.469 9.376 2.241
51 H PHE 10 H PHE 10 3.231 8.795 -0.384
52 HA PHE 10 HA PHE 10 2.075 8.125 2.276
53 HB2 PHE 10 1HB PHE 10 0.091 7.171 1.072
54 HB3 PHE 10 2HB PHE 10 0.195 8.915 1.159
55 HD1 PHE 10 1HD PHE 10 0.561 6.000 -1.145
56 HD2 PHE 10 2HD PHE 10 0.324 10.294 -0.808
57 HE1 PHE 10 1HE PHE 10 0.320 6.179 -3.599
58 HE2 PHE 10 2HE PHE 10 0.047 10.467 -3.270
59 HZ PHE 10 HZ PHE 10 0.059 8.413 -4.673
60 H ALA 11 H ALA 11 2.465 6.159 2.982
61 HA ALA 11 HA ALA 11 3.499 4.025 1.204
62 HB1 ALA 11 1HB ALA 11 5.460 3.735 2.683
63 HB2 ALA 11 2HB ALA 11 5.460 5.334 1.920
64 HB3 ALA 11 3HB ALA 11 4.970 5.159 3.624
65 H CYS 12 H CYS 12 3.677 1.948 2.286
66 HA CYS 12 HA CYS 12 1.324 1.206 3.707
67 HB2 CYS 12 1HB CYS 12 2.535 -0.186 2.126
68 HB3 CYS 12 2HB CYS 12 3.948 -0.216 3.187
69 H ASP 13 H ASP 13 0.977 0.517 5.765
70 HA ASP 13 HA ASP 13 2.621 1.765 7.880
71 HB2 ASP 13 1HB ASP 13 0.120 2.010 7.730
72 HB3 ASP 13 2HB ASP 13 -0.026 0.292 8.098
73 H TYR 14 H TYR 14 2.486 -1.259 6.374
74 HA TYR 14 HA TYR 14 3.432 -2.754 8.798
75 HB2 TYR 14 1HB TYR 14 1.956 -3.745 6.352
76 HB3 TYR 14 2HB TYR 14 2.443 -4.726 7.724
77 HD1 TYR 14 2HD TYR 14 1.314 -4.472 9.932
78 HD2 TYR 14 1HD TYR 14 -0.007 -2.315 6.435
79 HE1 TYR 14 2HE TYR 14 -0.853 -3.980 11.056
80 HE2 TYR 14 1HE TYR 14 -2.171 -1.807 7.574
81 HH TYR 14 HH TYR 14 -2.894 -2.951 10.890
82 H CYS 15 H CYS 15 4.360 -1.822 5.562
83 HA CYS 15 HA CYS 15 6.954 -3.114 5.914
84 HB2 CYS 15 1HB CYS 15 6.967 -4.353 3.873
85 HB3 CYS 15 2HB CYS 15 5.581 -4.874 4.819
86 H SER 16 H SER 16 8.341 -2.577 3.822
87 HA SER 16 HA SER 16 8.382 0.329 3.715
88 HB2 SER 16 1HB SER 16 10.329 -1.659 2.498
89 HB3 SER 16 2HB SER 16 10.599 0.080 2.731
90 HG SER 16 HG SER 16 11.540 -1.180 4.409
91 H PHE 17 H PHE 17 6.223 -0.839 2.251
92 HA PHE 17 HA PHE 17 6.819 -0.514 -0.616
93 HB2 PHE 17 1HB PHE 17 5.394 -2.330 0.082
94 HB3 PHE 17 2HB PHE 17 4.293 -1.221 0.887
95 HD1 PHE 17 2HD PHE 17 5.622 -2.217 -2.471
96 HD2 PHE 17 1HD PHE 17 2.489 -0.212 -0.292
97 HE1 PHE 17 2HE PHE 17 4.259 -2.083 -4.546
98 HE2 PHE 17 1HE PHE 17 1.121 -0.096 -2.363
99 HZ PHE 17 HZ PHE 17 2.005 -1.035 -4.491
100 H THR 18 H THR 18 6.352 1.132 -1.878
101 HA THR 18 HA THR 18 4.649 3.411 -0.971
102 HB THR 18 HB THR 18 7.194 3.717 -2.595
103 HG1 THR 18 1HG THR 18 7.696 3.170 -0.461
104 HG21 THR 18 3HG2 THR 18 6.969 6.117 -2.026
105 HG22 THR 18 1HG2 THR 18 5.411 5.781 -1.244
106 HG23 THR 18 2HG2 THR 18 5.612 5.544 -2.998
107 H CYS 19 H CYS 19 3.464 4.388 -2.693
108 HA CYS 19 HA CYS 19 3.306 2.770 -5.200
109 HB2 CYS 19 1HB CYS 19 1.754 2.078 -3.206
110 HB3 CYS 19 2HB CYS 19 0.820 3.520 -3.643
111 HG CYS 19 HG CYS 19 1.774 0.950 -5.542
112 H LEU 20 H LEU 20 1.809 3.666 -6.820
113 HA LEU 20 HA LEU 20 2.335 6.500 -7.300
114 HB2 LEU 20 1HB LEU 20 2.572 4.718 -9.015
115 HB3 LEU 20 2HB LEU 20 0.846 4.379 -8.901
116 HG LEU 20 HG LEU 20 0.324 6.620 -9.812
117 HD11 LEU 20 1HD1 LEU 20 2.267 7.926 -9.050
118 HD12 LEU 20 2HD1 LEU 20 2.147 7.992 -10.809
119 HD13 LEU 20 3HD1 LEU 20 3.353 6.929 -10.048
120 HD21 LEU 20 3HD2 LEU 20 2.351 5.080 -11.479
121 HD22 LEU 20 1HD2 LEU 20 1.126 6.216 -12.089
122 HD23 LEU 20 2HD2 LEU 20 0.619 4.702 -11.326
123 H SER 21 H SER 21 -0.348 4.662 -6.033
124 HA SER 21 HA SER 21 -2.003 7.125 -5.828
125 HB2 SER 21 1HB SER 21 -2.880 6.052 -7.800
126 HB3 SER 21 2HB SER 21 -2.934 4.479 -6.986
127 HG SER 21 HG SER 21 -4.973 5.695 -7.090
128 H LYS 22 H LYS 22 -3.224 7.268 -4.018
129 HA LYS 22 HA LYS 22 -2.691 5.594 -1.728
130 HB2 LYS 22 1HB LYS 22 -3.263 8.017 -1.666
131 HB3 LYS 22 2HB LYS 22 -4.910 7.632 -2.189
132 HG2 LYS 22 1HG LYS 22 -5.265 6.311 -0.122
133 HG3 LYS 22 2HG LYS 22 -3.584 6.613 0.368
134 HD2 LYS 22 1HD LYS 22 -4.053 9.047 0.497
135 HD3 LYS 22 2HD LYS 22 -5.691 8.771 -0.105
136 HE2 LYS 22 1HE LYS 22 -5.871 9.075 2.247
137 HE3 LYS 22 2HE LYS 22 -6.191 7.374 1.905
138 HZ1 LYS 22 3HZ LYS 22 -4.704 7.664 3.814
139 HZ2 LYS 22 1HZ LYS 22 -3.606 8.459 2.909
140 HZ3 LYS 22 2HZ LYS 22 -3.912 6.873 2.630
141 H GLY 23 H GLY 23 -5.173 5.496 -4.238
142 HA2 GLY 23 1HA GLY 23 -6.948 3.585 -2.966
143 HA3 GLY 23 2HA GLY 23 -6.829 3.942 -4.696
144 H HIS 24 H HIS 24 -4.159 3.246 -5.225
145 HA HIS 24 HA HIS 24 -4.223 0.354 -5.299
146 HB2 HIS 24 1HB HIS 24 -1.981 2.325 -5.848
147 HB3 HIS 24 2HB HIS 24 -1.933 0.602 -6.220
148 HD1 HIS 24 1HD HIS 24 -5.267 1.280 -7.313
149 HD2 HIS 24 2HD HIS 24 -1.424 2.398 -8.612
150 HE1 HIS 24 1HE HIS 24 -5.509 1.948 -9.758
151 H LEU 25 H LEU 25 -2.489 2.698 -3.197
152 HA LEU 25 HA LEU 25 -1.112 0.748 -1.638
153 HB2 LEU 25 1HB LEU 25 -0.542 3.130 -1.637
154 HB3 LEU 25 2HB LEU 25 -2.110 3.531 -0.937
155 HG LEU 25 HG LEU 25 -1.536 2.353 1.144
156 HD11 LEU 25 1HD1 LEU 25 0.773 1.586 1.538
157 HD12 LEU 25 2HD1 LEU 25 1.180 1.879 -0.167
158 HD13 LEU 25 3HD1 LEU 25 0.005 0.619 0.293
159 HD21 LEU 25 3HD2 LEU 25 0.692 4.250 0.328
160 HD22 LEU 25 1HD2 LEU 25 0.093 3.920 1.967
161 HD23 LEU 25 2HD2 LEU 25 -0.947 4.761 0.812
162 H LYS 26 H LYS 26 -4.428 2.111 -1.225
163 HA LYS 26 HA LYS 26 -5.070 0.656 1.150
164 HB2 LYS 26 1HB LYS 26 -6.387 2.550 0.194
165 HB3 LYS 26 2HB LYS 26 -6.942 1.488 -1.107
166 HG2 LYS 26 1HG LYS 26 -8.028 0.001 0.571
167 HG3 LYS 26 2HG LYS 26 -7.400 1.017 1.873
168 HD2 LYS 26 1HD LYS 26 -9.718 1.553 1.521
169 HD3 LYS 26 2HD LYS 26 -8.740 2.935 1.005
170 HE2 LYS 26 1HE LYS 26 -8.984 2.226 -1.365
171 HE3 LYS 26 2HE LYS 26 -9.898 0.802 -0.854
172 HZ1 LYS 26 3HZ LYS 26 -11.375 2.599 -1.554
173 HZ2 LYS 26 1HZ LYS 26 -10.763 3.617 -0.434
174 HZ3 LYS 26 2HZ LYS 26 -11.608 2.296 0.032
175 H VAL 27 H VAL 27 -5.397 -0.322 -2.283
176 HA VAL 27 HA VAL 27 -6.436 -2.951 -1.745
177 HB VAL 27 HB VAL 27 -4.913 -1.859 -4.136
178 HG11 VAL 27 1HG1 VAL 27 -5.811 -3.815 -5.384
179 HG12 VAL 27 2HG1 VAL 27 -4.634 -4.299 -4.164
180 HG13 VAL 27 3HG1 VAL 27 -6.374 -4.520 -3.852
181 HG21 VAL 27 3HG2 VAL 27 -7.138 -1.836 -5.180
182 HG22 VAL 27 1HG2 VAL 27 -7.867 -2.510 -3.707
183 HG23 VAL 27 2HG2 VAL 27 -7.180 -0.878 -3.699
184 H HIS 28 H HIS 28 -3.017 -1.815 -1.983
185 HA HIS 28 HA HIS 28 -1.804 -4.364 -1.540
186 HB2 HIS 28 1HB HIS 28 -0.458 -2.514 -2.242
187 HB3 HIS 28 2HB HIS 28 -0.923 -1.541 -0.859
188 HD1 HIS 28 1HD HIS 28 1.573 -4.212 -1.829
189 HD2 HIS 28 2HD HIS 28 0.247 -2.069 1.529
190 HE1 HIS 28 1HE HIS 28 3.303 -4.620 -0.020
191 H ILE 29 H ILE 29 -2.756 -1.869 0.910
192 HA ILE 29 HA ILE 29 -2.025 -3.467 3.162
193 HB ILE 29 HB ILE 29 -3.966 -1.148 2.904
194 HG12 ILE 29 1HG1 ILE 29 -1.124 -1.255 4.040
195 HG13 ILE 29 2HG1 ILE 29 -1.484 -0.781 2.387
196 HG21 ILE 29 1HG2 ILE 29 -2.877 -2.513 5.412
197 HG22 ILE 29 2HG2 ILE 29 -3.723 -0.949 5.410
198 HG23 ILE 29 3HG2 ILE 29 -4.580 -2.396 4.921
199 HD11 ILE 29 3HD1 ILE 29 -2.890 1.101 3.229
200 HD12 ILE 29 1HD1 ILE 29 -2.341 0.717 4.881
201 HD13 ILE 29 2HD1 ILE 29 -1.170 1.211 3.651
202 H GLU 30 H GLU 30 -5.125 -3.271 1.417
203 HA GLU 30 HA GLU 30 -6.626 -4.910 3.191
204 HB2 GLU 30 1HB GLU 30 -7.557 -3.328 1.548
205 HB3 GLU 30 2HB GLU 30 -6.935 -4.305 0.225
206 HG2 GLU 30 1HG GLU 30 -9.328 -4.585 0.484
207 HG3 GLU 30 2HG GLU 30 -8.487 -6.103 0.731
208 H ARG 31 H ARG 31 -4.292 -5.892 0.735
209 HA ARG 31 HA ARG 31 -5.358 -8.711 0.787
210 HB2 ARG 31 1HB ARG 31 -3.911 -7.184 -1.414
211 HB3 ARG 31 2HB ARG 31 -4.348 -8.892 -1.475
212 HG2 ARG 31 1HG ARG 31 -6.762 -8.294 -1.264
213 HG3 ARG 31 2HG ARG 31 -6.329 -6.583 -1.216
214 HD2 ARG 31 1HD ARG 31 -7.023 -7.075 -3.444
215 HD3 ARG 31 2HD ARG 31 -5.270 -6.804 -3.464
216 HE ARG 31 HE ARG 31 -5.887 -9.613 -3.152
217 HH11 ARG 31 2HH1 ARG 31 -5.845 -7.160 -5.654
218 HH12 ARG 31 1HH1 ARG 31 -5.598 -8.330 -6.922
219 HH21 ARG 31 2HH2 ARG 31 -5.563 -11.049 -4.816
220 HH22 ARG 31 1HH2 ARG 31 -5.449 -10.473 -6.452
221 H VAL 32 H VAL 32 -2.410 -6.801 1.096
222 HA VAL 32 HA VAL 32 -0.732 -9.215 1.028
223 HB VAL 32 HB VAL 32 0.029 -6.283 1.255
224 HG11 VAL 32 1HG1 VAL 32 1.894 -7.624 2.044
225 HG12 VAL 32 2HG1 VAL 32 1.734 -8.736 0.663
226 HG13 VAL 32 3HG1 VAL 32 2.256 -7.054 0.418
227 HG21 VAL 32 3HG2 VAL 32 -1.095 -6.775 -0.898
228 HG22 VAL 32 1HG2 VAL 32 0.629 -6.542 -1.159
229 HG23 VAL 32 2HG2 VAL 32 -0.042 -8.185 -1.139
230 H HIS 33 H HIS 33 -2.243 -7.355 3.511
231 HA HIS 33 HA HIS 33 -0.441 -8.485 5.588
232 HB2 HIS 33 1HB HIS 33 -1.627 -5.693 5.466
233 HB3 HIS 33 2HB HIS 33 -0.735 -6.362 6.830
234 HD1 HIS 33 1HD HIS 33 1.884 -7.376 5.872
235 HD2 HIS 33 2HD HIS 33 -0.149 -4.311 3.848
236 HE1 HIS 33 1HE HIS 33 3.626 -6.235 4.428
237 H LYS 34 H LYS 34 -1.362 -9.601 7.023
238 HA LYS 34 HA LYS 34 -4.131 -10.308 7.018
239 HB2 LYS 34 1HB LYS 34 -2.218 -11.787 7.620
240 HB3 LYS 34 2HB LYS 34 -2.016 -10.895 9.133
241 HG2 LYS 34 1HG LYS 34 -4.310 -11.561 9.823
242 HG3 LYS 34 2HG LYS 34 -4.519 -12.445 8.307
243 HD2 LYS 34 1HD LYS 34 -2.417 -13.048 10.439
244 HD3 LYS 34 2HD LYS 34 -3.962 -13.888 10.259
245 HE2 LYS 34 1HE LYS 34 -3.302 -14.608 7.964
246 HE3 LYS 34 2HE LYS 34 -1.736 -13.813 8.172
247 HZ1 LYS 34 3HZ LYS 34 -1.597 -16.179 8.687
248 HZ2 LYS 34 1HZ LYS 34 -2.740 -16.056 9.844
249 HZ3 LYS 34 2HZ LYS 34 -1.294 -15.319 10.039
250 H LYS 35 H LYS 35 -5.821 -9.821 8.292
251 HA LYS 35 HA LYS 35 -5.781 -7.305 9.805
252 HB2 LYS 35 1HB LYS 35 -8.054 -9.240 9.192
253 HB3 LYS 35 2HB LYS 35 -8.230 -7.649 9.947
254 HG2 LYS 35 1HG LYS 35 -7.285 -6.567 7.918
255 HG3 LYS 35 2HG LYS 35 -7.125 -8.155 7.145
256 HD2 LYS 35 1HD LYS 35 -9.594 -8.484 7.352
257 HD3 LYS 35 2HD LYS 35 -9.732 -6.837 8.014
258 HE2 LYS 35 1HE LYS 35 -8.707 -5.925 5.937
259 HE3 LYS 35 2HE LYS 35 -8.538 -7.563 5.297
260 HZ1 LYS 35 3HZ LYS 35 -10.488 -6.531 4.397
261 HZ2 LYS 35 1HZ LYS 35 -11.107 -6.199 5.879
262 HZ3 LYS 35 2HZ LYS 35 -10.980 -7.753 5.366
263 H ILE 36 H ILE 36 -6.486 -7.014 11.928
264 HA ILE 36 HA ILE 36 -6.365 -9.343 13.778
265 HB ILE 36 HB ILE 36 -4.925 -8.079 15.316
266 HG12 ILE 36 1HG1 ILE 36 -4.461 -6.126 13.014
267 HG13 ILE 36 2HG1 ILE 36 -5.409 -5.779 14.462
268 HG21 ILE 36 1HG2 ILE 36 -4.047 -9.798 13.714
269 HG22 ILE 36 2HG2 ILE 36 -3.573 -8.482 12.618
270 HG23 ILE 36 3HG2 ILE 36 -2.843 -8.618 14.230
271 HD11 ILE 36 3HD1 ILE 36 -2.422 -6.349 14.370
272 HD12 ILE 36 1HD1 ILE 36 -3.225 -4.814 14.730
273 HD13 ILE 36 2HD1 ILE 36 -3.374 -6.170 15.866
274 H LYS 37 H LYS 37 -7.161 -8.931 15.916
275 HA LYS 37 HA LYS 37 -9.017 -6.653 16.299
276 HB2 LYS 37 1HB LYS 37 -10.304 -8.482 15.195
277 HB3 LYS 37 2HB LYS 37 -9.863 -9.575 16.516
278 HG2 LYS 37 1HG LYS 37 -11.056 -8.111 18.128
279 HG3 LYS 37 2HG LYS 37 -11.447 -6.979 16.817
280 HD2 LYS 37 1HD LYS 37 -12.749 -8.755 15.674
281 HD3 LYS 37 2HD LYS 37 -12.342 -9.895 16.975
282 HE2 LYS 37 1HE LYS 37 -13.464 -8.407 18.622
283 HE3 LYS 37 2HE LYS 37 -13.870 -7.274 17.326
284 HZ1 LYS 37 3HZ LYS 37 -14.832 -10.082 17.498
285 HZ2 LYS 37 1HZ LYS 37 -15.210 -9.036 16.301
286 HZ3 LYS 37 2HZ LYS 37 -15.727 -8.758 17.823
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 17.919 17.677 3.418
2 H2 GLY 1 2H GLY 1 17.078 18.901 2.723
3 H3 GLY 1 3H GLY 1 18.558 18.498 2.152
4 HA2 GLY 1 1HA GLY 1 17.768 16.352 1.415
5 HA3 GLY 1 2HA GLY 1 16.167 16.771 2.054
6 H SER 2 H SER 2 17.060 16.113 -0.724
7 HA SER 2 HA SER 2 17.060 18.537 -2.285
8 HB2 SER 2 1HB SER 2 16.607 15.669 -3.177
9 HB3 SER 2 2HB SER 2 17.061 17.041 -4.205
10 HG SER 2 HG SER 2 18.883 15.779 -3.597
11 H SER 3 H SER 3 14.421 16.608 -1.083
12 HA SER 3 HA SER 3 12.474 17.595 -3.086
13 HB2 SER 3 1HB SER 3 12.105 15.837 -0.635
14 HB3 SER 3 2HB SER 3 10.828 16.297 -1.774
15 HG SER 3 HG SER 3 13.205 14.835 -2.395
16 H GLY 4 H GLY 4 10.788 19.005 -2.676
17 HA2 GLY 4 1HA GLY 4 11.174 21.080 -0.699
18 HA3 GLY 4 2HA GLY 4 9.806 20.915 -1.796
19 H SER 5 H SER 5 9.807 21.692 1.013
20 HA SER 5 HA SER 5 8.996 19.615 2.773
21 HB2 SER 5 1HB SER 5 9.789 21.927 3.361
22 HB3 SER 5 2HB SER 5 8.198 22.549 2.884
23 HG SER 5 HG SER 5 8.376 22.124 5.152
24 H SER 6 H SER 6 7.126 21.333 0.350
25 HA SER 6 HA SER 6 4.496 20.505 1.298
26 HB2 SER 6 1HB SER 6 3.757 21.494 -0.864
27 HB3 SER 6 2HB SER 6 4.727 22.591 0.131
28 HG SER 6 HG SER 6 5.384 22.588 -2.084
29 H GLY 7 H GLY 7 6.947 18.733 -0.235
30 HA2 GLY 7 1HA GLY 7 5.469 17.205 -2.164
31 HA3 GLY 7 2HA GLY 7 7.002 16.756 -1.423
32 H GLU 8 H GLU 8 4.647 15.106 -2.075
33 HA GLU 8 HA GLU 8 4.277 13.731 0.516
34 HB2 GLU 8 1HB GLU 8 2.433 15.391 0.328
35 HB3 GLU 8 2HB GLU 8 1.942 14.668 -1.207
36 HG2 GLU 8 1HG GLU 8 1.372 12.569 -0.078
37 HG3 GLU 8 2HG GLU 8 2.046 13.163 1.443
38 H LYS 9 H LYS 9 3.849 11.555 0.345
39 HA LYS 9 HA LYS 9 3.279 10.270 -2.237
40 HB2 LYS 9 1HB LYS 9 5.136 8.719 -2.140
41 HB3 LYS 9 2HB LYS 9 5.745 10.370 -2.189
42 HG2 LYS 9 1HG LYS 9 6.124 10.267 0.306
43 HG3 LYS 9 2HG LYS 9 5.542 8.599 0.295
44 HD2 LYS 9 1HD LYS 9 7.928 8.548 0.340
45 HD3 LYS 9 2HD LYS 9 7.404 7.976 -1.251
46 HE2 LYS 9 1HE LYS 9 7.897 10.210 -2.220
47 HE3 LYS 9 2HE LYS 9 8.342 10.816 -0.619
48 HZ1 LYS 9 3HZ LYS 9 9.762 8.645 -2.069
49 HZ2 LYS 9 1HZ LYS 9 10.172 9.208 -0.590
50 HZ3 LYS 9 2HZ LYS 9 10.300 10.175 -1.897
51 H PHE 10 H PHE 10 2.722 7.973 -1.983
52 HA PHE 10 HA PHE 10 1.317 7.482 0.593
53 HB2 PHE 10 1HB PHE 10 1.068 6.029 -2.055
54 HB3 PHE 10 2HB PHE 10 0.053 5.817 -0.644
55 HD1 PHE 10 1HD PHE 10 -1.341 7.815 0.200
56 HD2 PHE 10 2HD PHE 10 0.572 7.733 -3.662
57 HE1 PHE 10 1HE PHE 10 -2.818 9.657 -0.577
58 HE2 PHE 10 2HE PHE 10 -0.937 9.539 -4.452
59 HZ PHE 10 HZ PHE 10 -2.630 10.510 -2.907
60 H ALA 11 H ALA 11 1.970 5.936 2.017
61 HA ALA 11 HA ALA 11 3.996 3.921 1.209
62 HB1 ALA 11 1HB ALA 11 5.394 4.500 3.134
63 HB2 ALA 11 2HB ALA 11 5.213 5.903 2.062
64 HB3 ALA 11 3HB ALA 11 4.285 5.816 3.575
65 H CYS 12 H CYS 12 4.033 2.045 2.363
66 HA CYS 12 HA CYS 12 1.635 1.226 3.750
67 HB2 CYS 12 1HB CYS 12 2.935 -0.146 2.195
68 HB3 CYS 12 2HB CYS 12 4.313 -0.121 3.304
69 H ASP 13 H ASP 13 1.393 0.540 5.829
70 HA ASP 13 HA ASP 13 3.061 1.880 7.894
71 HB2 ASP 13 1HB ASP 13 0.565 2.189 7.792
72 HB3 ASP 13 2HB ASP 13 0.381 0.477 8.172
73 H TYR 14 H TYR 14 2.837 -1.152 6.424
74 HA TYR 14 HA TYR 14 3.699 -2.669 8.864
75 HB2 TYR 14 1HB TYR 14 2.346 -3.684 6.362
76 HB3 TYR 14 2HB TYR 14 2.657 -4.593 7.828
77 HD1 TYR 14 2HD TYR 14 1.285 -4.217 9.866
78 HD2 TYR 14 1HD TYR 14 0.482 -2.121 6.181
79 HE1 TYR 14 2HE TYR 14 -0.970 -3.584 10.714
80 HE2 TYR 14 1HE TYR 14 -1.768 -1.475 7.041
81 HH TYR 14 HH TYR 14 -2.926 -2.472 10.281
82 H CYS 15 H CYS 15 4.668 -1.812 5.609
83 HA CYS 15 HA CYS 15 7.246 -3.162 5.960
84 HB2 CYS 15 1HB CYS 15 7.192 -4.414 3.938
85 HB3 CYS 15 2HB CYS 15 5.787 -4.872 4.886
86 H SER 16 H SER 16 8.531 -2.710 3.728
87 HA SER 16 HA SER 16 8.718 0.205 3.653
88 HB2 SER 16 1HB SER 16 10.924 -0.218 2.563
89 HB3 SER 16 2HB SER 16 10.733 -1.022 4.127
90 HG SER 16 HG SER 16 11.618 -2.421 2.520
91 H PHE 17 H PHE 17 6.571 -1.090 2.203
92 HA PHE 17 HA PHE 17 7.029 -0.605 -0.656
93 HB2 PHE 17 1HB PHE 17 5.536 -2.372 0.029
94 HB3 PHE 17 2HB PHE 17 4.559 -1.253 0.964
95 HD1 PHE 17 2HD PHE 17 5.536 -2.213 -2.508
96 HD2 PHE 17 1HD PHE 17 2.770 -0.003 -0.043
97 HE1 PHE 17 2HE PHE 17 4.026 -1.911 -4.459
98 HE2 PHE 17 1HE PHE 17 1.252 0.264 -1.985
99 HZ PHE 17 HZ PHE 17 1.879 -0.681 -4.198
100 H THR 18 H THR 18 6.495 1.115 -1.856
101 HA THR 18 HA THR 18 4.875 3.332 -0.733
102 HB THR 18 HB THR 18 6.278 4.981 -1.928
103 HG1 THR 18 1HG THR 18 8.371 4.346 -2.530
104 HG21 THR 18 3HG2 THR 18 7.864 3.398 0.138
105 HG22 THR 18 1HG2 THR 18 6.593 4.580 0.508
106 HG23 THR 18 2HG2 THR 18 8.078 5.107 -0.298
107 H CYS 19 H CYS 19 3.747 4.589 -2.287
108 HA CYS 19 HA CYS 19 3.289 3.244 -4.906
109 HB2 CYS 19 1HB CYS 19 1.907 2.334 -2.891
110 HB3 CYS 19 2HB CYS 19 1.016 3.859 -2.986
111 HG CYS 19 HG CYS 19 1.555 1.548 -5.318
112 H LEU 20 H LEU 20 1.867 4.374 -6.334
113 HA LEU 20 HA LEU 20 2.146 7.310 -6.226
114 HB2 LEU 20 1HB LEU 20 1.929 7.319 -8.520
115 HB3 LEU 20 2HB LEU 20 2.894 5.894 -8.195
116 HG LEU 20 HG LEU 20 -0.070 5.972 -8.951
117 HD11 LEU 20 1HD1 LEU 20 2.372 4.968 -10.463
118 HD12 LEU 20 2HD1 LEU 20 1.504 6.488 -10.779
119 HD13 LEU 20 3HD1 LEU 20 0.688 4.938 -11.036
120 HD21 LEU 20 3HD2 LEU 20 0.107 3.504 -9.218
121 HD22 LEU 20 1HD2 LEU 20 0.236 4.004 -7.538
122 HD23 LEU 20 2HD2 LEU 20 1.705 3.546 -8.445
123 H SER 21 H SER 21 -0.212 5.202 -5.205
124 HA SER 21 HA SER 21 -2.420 7.165 -5.503
125 HB2 SER 21 1HB SER 21 -2.723 5.907 -7.491
126 HB3 SER 21 2HB SER 21 -2.273 4.400 -6.703
127 HG SER 21 HG SER 21 -4.710 5.816 -6.569
128 H LYS 22 H LYS 22 -3.782 7.181 -3.824
129 HA LYS 22 HA LYS 22 -3.374 5.661 -1.424
130 HB2 LYS 22 1HB LYS 22 -4.426 7.960 -1.655
131 HB3 LYS 22 2HB LYS 22 -5.876 7.184 -2.291
132 HG2 LYS 22 1HG LYS 22 -6.135 5.928 -0.161
133 HG3 LYS 22 2HG LYS 22 -4.635 6.657 0.449
134 HD2 LYS 22 1HD LYS 22 -5.674 8.915 0.305
135 HD3 LYS 22 2HD LYS 22 -7.135 8.197 -0.381
136 HE2 LYS 22 1HE LYS 22 -7.597 8.616 1.914
137 HE3 LYS 22 2HE LYS 22 -7.456 6.869 1.715
138 HZ1 LYS 22 3HZ LYS 22 -5.320 8.648 2.784
139 HZ2 LYS 22 1HZ LYS 22 -5.197 7.021 2.637
140 HZ3 LYS 22 2HZ LYS 22 -6.264 7.671 3.684
141 H GLY 23 H GLY 23 -5.604 5.212 -4.158
142 HA2 GLY 23 1HA GLY 23 -7.177 3.075 -3.026
143 HA3 GLY 23 2HA GLY 23 -7.007 3.474 -4.742
144 H HIS 24 H HIS 24 -4.195 3.110 -5.036
145 HA HIS 24 HA HIS 24 -4.026 0.207 -5.181
146 HB2 HIS 24 1HB HIS 24 -2.041 2.413 -5.777
147 HB3 HIS 24 2HB HIS 24 -1.713 0.699 -6.024
148 HD1 HIS 24 1HD HIS 24 -4.183 3.390 -7.373
149 HD2 HIS 24 2HD HIS 24 -2.552 -0.393 -8.248
150 HE1 HIS 24 1HE HIS 24 -4.972 2.795 -9.724
151 H LEU 25 H LEU 25 -2.606 2.657 -2.952
152 HA LEU 25 HA LEU 25 -1.148 0.756 -1.377
153 HB2 LEU 25 1HB LEU 25 -0.737 3.159 -1.231
154 HB3 LEU 25 2HB LEU 25 -2.384 3.441 -0.664
155 HG LEU 25 HG LEU 25 -1.914 2.163 1.410
156 HD11 LEU 25 1HD1 LEU 25 0.940 2.000 0.332
157 HD12 LEU 25 2HD1 LEU 25 -0.150 0.625 0.634
158 HD13 LEU 25 3HD1 LEU 25 0.424 1.594 1.983
159 HD21 LEU 25 3HD2 LEU 25 -0.555 3.799 2.488
160 HD22 LEU 25 1HD2 LEU 25 -1.522 4.632 1.262
161 HD23 LEU 25 2HD2 LEU 25 0.198 4.278 0.958
162 H LYS 26 H LYS 26 -4.562 1.891 -1.131
163 HA LYS 26 HA LYS 26 -5.277 0.308 1.137
164 HB2 LYS 26 1HB LYS 26 -6.683 2.107 0.347
165 HB3 LYS 26 2HB LYS 26 -6.901 1.341 -1.217
166 HG2 LYS 26 1HG LYS 26 -8.893 1.156 0.147
167 HG3 LYS 26 2HG LYS 26 -8.253 -0.435 -0.255
168 HD2 LYS 26 1HD LYS 26 -7.390 -0.738 2.005
169 HD3 LYS 26 2HD LYS 26 -7.766 0.950 2.424
170 HE2 LYS 26 1HE LYS 26 -10.149 0.552 2.147
171 HE3 LYS 26 2HE LYS 26 -9.864 -1.078 1.529
172 HZ1 LYS 26 3HZ LYS 26 -10.513 -0.960 3.924
173 HZ2 LYS 26 1HZ LYS 26 -9.075 -0.270 4.273
174 HZ3 LYS 26 2HZ LYS 26 -9.156 -1.803 3.659
175 H VAL 27 H VAL 27 -5.357 -0.585 -2.362
176 HA VAL 27 HA VAL 27 -6.183 -3.296 -1.906
177 HB VAL 27 HB VAL 27 -4.562 -2.091 -4.171
178 HG11 VAL 27 1HG1 VAL 27 -5.147 -4.175 -5.438
179 HG12 VAL 27 2HG1 VAL 27 -4.005 -4.481 -4.130
180 HG13 VAL 27 3HG1 VAL 27 -5.716 -4.911 -3.922
181 HG21 VAL 27 3HG2 VAL 27 -6.670 -2.318 -5.411
182 HG22 VAL 27 1HG2 VAL 27 -7.453 -3.062 -4.000
183 HG23 VAL 27 2HG2 VAL 27 -6.955 -1.364 -3.951
184 H HIS 28 H HIS 28 -2.817 -1.934 -2.003
185 HA HIS 28 HA HIS 28 -1.470 -4.376 -1.512
186 HB2 HIS 28 1HB HIS 28 -0.259 -2.380 -2.111
187 HB3 HIS 28 2HB HIS 28 -0.803 -1.532 -0.672
188 HD1 HIS 28 1HD HIS 28 1.644 -4.330 -1.655
189 HD2 HIS 28 2HD HIS 28 0.582 -1.838 1.556
190 HE1 HIS 28 1HE HIS 28 3.431 -4.678 0.109
191 H ILE 29 H ILE 29 -2.691 -2.036 0.958
192 HA ILE 29 HA ILE 29 -1.964 -3.643 3.210
193 HB ILE 29 HB ILE 29 -4.000 -1.421 2.858
194 HG12 ILE 29 1HG1 ILE 29 -1.260 -1.466 4.223
195 HG13 ILE 29 2HG1 ILE 29 -1.516 -0.936 2.566
196 HG21 ILE 29 1HG2 ILE 29 -4.745 -2.762 4.776
197 HG22 ILE 29 2HG2 ILE 29 -3.101 -2.773 5.447
198 HG23 ILE 29 3HG2 ILE 29 -4.041 -1.268 5.359
199 HD11 ILE 29 3HD1 ILE 29 -2.604 0.420 5.055
200 HD12 ILE 29 1HD1 ILE 29 -1.371 1.011 3.933
201 HD13 ILE 29 2HD1 ILE 29 -3.054 0.859 3.386
202 H GLU 30 H GLU 30 -5.092 -3.481 1.439
203 HA GLU 30 HA GLU 30 -6.382 -5.342 3.197
204 HB2 GLU 30 1HB GLU 30 -7.347 -3.500 1.632
205 HB3 GLU 30 2HB GLU 30 -7.237 -4.708 0.357
206 HG2 GLU 30 1HG GLU 30 -9.478 -4.648 1.255
207 HG3 GLU 30 2HG GLU 30 -8.758 -6.187 1.702
208 H ARG 31 H ARG 31 -4.182 -5.970 0.552
209 HA ARG 31 HA ARG 31 -5.214 -8.729 0.130
210 HB2 ARG 31 1HB ARG 31 -4.845 -7.095 -1.739
211 HB3 ARG 31 2HB ARG 31 -3.124 -7.067 -1.332
212 HG2 ARG 31 1HG ARG 31 -3.043 -9.545 -1.855
213 HG3 ARG 31 2HG ARG 31 -4.761 -9.440 -2.307
214 HD2 ARG 31 1HD ARG 31 -3.606 -9.201 -4.364
215 HD3 ARG 31 2HD ARG 31 -4.120 -7.576 -3.900
216 HE ARG 31 HE ARG 31 -1.918 -6.915 -3.718
217 HH11 ARG 31 2HH1 ARG 31 -1.868 -10.420 -3.845
218 HH12 ARG 31 1HH1 ARG 31 -0.135 -10.476 -4.009
219 HH21 ARG 31 2HH2 ARG 31 0.286 -7.067 -3.948
220 HH22 ARG 31 1HH2 ARG 31 1.042 -8.629 -4.058
221 H VAL 32 H VAL 32 -2.389 -6.913 1.217
222 HA VAL 32 HA VAL 32 -0.850 -9.399 1.630
223 HB VAL 32 HB VAL 32 0.066 -6.508 1.597
224 HG11 VAL 32 1HG1 VAL 32 1.648 -9.104 1.405
225 HG12 VAL 32 2HG1 VAL 32 2.314 -7.466 1.204
226 HG13 VAL 32 3HG1 VAL 32 1.670 -7.962 2.767
227 HG21 VAL 32 3HG2 VAL 32 0.969 -7.054 -0.671
228 HG22 VAL 32 1HG2 VAL 32 0.144 -8.627 -0.603
229 HG23 VAL 32 2HG2 VAL 32 -0.789 -7.113 -0.631
230 H HIS 33 H HIS 33 -2.224 -6.735 3.516
231 HA HIS 33 HA HIS 33 -0.947 -7.801 5.999
232 HB2 HIS 33 1HB HIS 33 -1.606 -4.916 5.358
233 HB3 HIS 33 2HB HIS 33 -0.828 -5.529 6.817
234 HD1 HIS 33 1HD HIS 33 1.555 -7.163 5.920
235 HD2 HIS 33 2HD HIS 33 0.130 -3.823 3.813
236 HE1 HIS 33 1HE HIS 33 3.504 -6.356 4.508
237 H LYS 34 H LYS 34 -3.154 -9.025 5.318
238 HA LYS 34 HA LYS 34 -5.624 -8.011 6.409
239 HB2 LYS 34 1HB LYS 34 -4.651 -10.866 5.942
240 HB3 LYS 34 2HB LYS 34 -6.313 -10.414 6.344
241 HG2 LYS 34 1HG LYS 34 -6.450 -9.035 4.283
242 HG3 LYS 34 2HG LYS 34 -4.805 -9.530 3.840
243 HD2 LYS 34 1HD LYS 34 -5.541 -11.909 3.800
244 HD3 LYS 34 2HD LYS 34 -7.195 -11.388 4.192
245 HE2 LYS 34 1HE LYS 34 -7.223 -9.986 2.127
246 HE3 LYS 34 2HE LYS 34 -5.593 -10.546 1.734
247 HZ1 LYS 34 3HZ LYS 34 -6.475 -12.815 1.588
248 HZ2 LYS 34 1HZ LYS 34 -7.283 -11.840 0.557
249 HZ3 LYS 34 2HZ LYS 34 -7.983 -12.302 1.958
250 H LYS 35 H LYS 35 -6.756 -8.978 8.263
251 HA LYS 35 HA LYS 35 -5.509 -8.224 10.664
252 HB2 LYS 35 1HB LYS 35 -7.956 -9.994 10.247
253 HB3 LYS 35 2HB LYS 35 -7.470 -9.296 11.797
254 HG2 LYS 35 1HG LYS 35 -7.695 -7.005 10.854
255 HG3 LYS 35 2HG LYS 35 -8.164 -7.688 9.298
256 HD2 LYS 35 1HD LYS 35 -10.168 -6.979 10.420
257 HD3 LYS 35 2HD LYS 35 -10.153 -8.735 10.319
258 HE2 LYS 35 1HE LYS 35 -10.984 -8.151 12.478
259 HE3 LYS 35 2HE LYS 35 -9.381 -8.847 12.709
260 HZ1 LYS 35 3HZ LYS 35 -10.004 -5.934 12.696
261 HZ2 LYS 35 1HZ LYS 35 -8.514 -6.565 12.941
262 HZ3 LYS 35 2HZ LYS 35 -9.701 -6.822 14.028
263 H ILE 36 H ILE 36 -4.590 -9.183 12.358
264 HA ILE 36 HA ILE 36 -3.116 -11.621 11.800
265 HB ILE 36 HB ILE 36 -1.778 -11.000 13.774
266 HG12 ILE 36 1HG1 ILE 36 -3.507 -8.482 13.920
267 HG13 ILE 36 2HG1 ILE 36 -3.636 -9.828 15.050
268 HG21 ILE 36 1HG2 ILE 36 -2.168 -8.719 11.791
269 HG22 ILE 36 2HG2 ILE 36 -0.693 -9.123 12.694
270 HG23 ILE 36 3HG2 ILE 36 -1.292 -10.225 11.456
271 HD11 ILE 36 3HD1 ILE 36 -2.289 -8.100 16.051
272 HD12 ILE 36 1HD1 ILE 36 -1.242 -9.489 15.698
273 HD13 ILE 36 2HD1 ILE 36 -1.200 -8.044 14.657
274 H LYS 37 H LYS 37 -5.678 -12.392 12.101
275 HA LYS 37 HA LYS 37 -6.315 -13.422 14.749
276 HB2 LYS 37 1HB LYS 37 -8.003 -12.819 13.022
277 HB3 LYS 37 2HB LYS 37 -7.448 -14.170 12.022
278 HG2 LYS 37 1HG LYS 37 -8.052 -15.754 13.859
279 HG3 LYS 37 2HG LYS 37 -8.636 -14.398 14.831
280 HD2 LYS 37 1HD LYS 37 -9.750 -15.251 12.119
281 HD3 LYS 37 2HD LYS 37 -10.439 -15.677 13.692
282 HE2 LYS 37 1HE LYS 37 -10.766 -13.254 14.197
283 HE3 LYS 37 2HE LYS 37 -10.145 -12.846 12.593
284 HZ1 LYS 37 3HZ LYS 37 -12.000 -14.106 11.629
285 HZ2 LYS 37 1HZ LYS 37 -12.571 -12.929 12.605
286 HZ3 LYS 37 2HZ LYS 37 -12.573 -14.478 13.113
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 13.492 24.976 10.764
2 H2 GLY 1 2H GLY 1 13.840 26.062 9.588
3 H3 GLY 1 3H GLY 1 15.052 25.365 10.443
4 HA2 GLY 1 1HA GLY 1 14.917 24.379 8.251
5 HA3 GLY 1 2HA GLY 1 14.563 23.202 9.529
6 H SER 2 H SER 2 13.729 23.191 6.708
7 HA SER 2 HA SER 2 10.826 23.674 6.687
8 HB2 SER 2 1HB SER 2 10.953 23.032 4.364
9 HB3 SER 2 2HB SER 2 12.252 24.178 4.727
10 HG SER 2 HG SER 2 13.060 22.433 3.521
11 H SER 3 H SER 3 9.484 21.850 5.608
12 HA SER 3 HA SER 3 9.513 19.470 7.274
13 HB2 SER 3 1HB SER 3 7.505 18.875 5.917
14 HB3 SER 3 2HB SER 3 7.415 20.463 6.696
15 HG SER 3 HG SER 3 6.739 20.527 4.493
16 H GLY 4 H GLY 4 11.294 20.187 4.499
17 HA2 GLY 4 1HA GLY 4 12.706 18.890 3.222
18 HA3 GLY 4 2HA GLY 4 12.315 17.524 4.258
19 H SER 5 H SER 5 12.454 16.191 2.393
20 HA SER 5 HA SER 5 10.569 16.493 0.171
21 HB2 SER 5 1HB SER 5 11.765 14.511 -0.723
22 HB3 SER 5 2HB SER 5 12.833 15.863 -0.313
23 HG SER 5 HG SER 5 13.643 13.845 0.453
24 H SER 6 H SER 6 10.089 15.245 3.206
25 HA SER 6 HA SER 6 8.907 12.720 2.811
26 HB2 SER 6 1HB SER 6 8.217 14.840 4.878
27 HB3 SER 6 2HB SER 6 7.792 13.120 4.971
28 HG SER 6 HG SER 6 9.719 13.618 6.138
29 H GLY 7 H GLY 7 6.851 11.968 2.462
30 HA2 GLY 7 1HA GLY 7 4.599 11.946 1.977
31 HA3 GLY 7 2HA GLY 7 4.515 13.683 2.250
32 H GLU 8 H GLU 8 6.911 12.992 -0.103
33 HA GLU 8 HA GLU 8 5.376 14.132 -2.241
34 HB2 GLU 8 1HB GLU 8 7.828 14.364 -1.901
35 HB3 GLU 8 2HB GLU 8 8.040 12.659 -2.321
36 HG2 GLU 8 1HG GLU 8 7.242 13.098 -4.602
37 HG3 GLU 8 2HG GLU 8 6.838 14.764 -4.172
38 H LYS 9 H LYS 9 5.684 10.968 -1.186
39 HA LYS 9 HA LYS 9 3.683 9.996 -3.078
40 HB2 LYS 9 1HB LYS 9 4.835 7.934 -3.689
41 HB3 LYS 9 2HB LYS 9 5.694 9.350 -4.280
42 HG2 LYS 9 1HG LYS 9 7.327 9.143 -2.409
43 HG3 LYS 9 2HG LYS 9 6.474 7.697 -1.833
44 HD2 LYS 9 1HD LYS 9 6.906 6.566 -3.986
45 HD3 LYS 9 2HD LYS 9 7.739 7.994 -4.604
46 HE2 LYS 9 1HE LYS 9 8.620 6.400 -2.154
47 HE3 LYS 9 2HE LYS 9 9.229 6.124 -3.783
48 HZ1 LYS 9 3HZ LYS 9 10.718 7.572 -2.563
49 HZ2 LYS 9 1HZ LYS 9 9.543 8.662 -2.268
50 HZ3 LYS 9 2HZ LYS 9 10.069 8.414 -3.798
51 H PHE 10 H PHE 10 2.775 7.867 -2.380
52 HA PHE 10 HA PHE 10 2.258 8.059 0.501
53 HB2 PHE 10 1HB PHE 10 1.049 6.174 -1.546
54 HB3 PHE 10 2HB PHE 10 0.430 6.544 0.061
55 HD1 PHE 10 1HD PHE 10 -0.304 8.957 0.581
56 HD2 PHE 10 2HD PHE 10 0.437 7.532 -3.421
57 HE1 PHE 10 1HE PHE 10 -1.553 10.896 -0.344
58 HE2 PHE 10 2HE PHE 10 -0.811 9.473 -4.343
59 HZ PHE 10 HZ PHE 10 -1.808 11.155 -2.806
60 H ALA 11 H ALA 11 2.329 6.216 1.982
61 HA ALA 11 HA ALA 11 4.231 4.049 1.256
62 HB1 ALA 11 1HB ALA 11 5.560 4.483 3.261
63 HB2 ALA 11 2HB ALA 11 5.554 5.912 2.208
64 HB3 ALA 11 3HB ALA 11 4.539 5.879 3.667
65 H CYS 12 H CYS 12 4.025 2.153 2.320
66 HA CYS 12 HA CYS 12 1.531 1.501 3.619
67 HB2 CYS 12 1HB CYS 12 2.736 0.046 2.079
68 HB3 CYS 12 2HB CYS 12 4.116 -0.025 3.179
69 H ASP 13 H ASP 13 1.165 0.799 5.678
70 HA ASP 13 HA ASP 13 2.793 2.048 7.820
71 HB2 ASP 13 1HB ASP 13 0.036 0.772 7.769
72 HB3 ASP 13 2HB ASP 13 0.820 1.324 9.245
73 H TYR 14 H TYR 14 2.640 -0.983 6.320
74 HA TYR 14 HA TYR 14 3.490 -2.456 8.797
75 HB2 TYR 14 1HB TYR 14 2.015 -3.489 6.375
76 HB3 TYR 14 2HB TYR 14 2.377 -4.393 7.834
77 HD1 TYR 14 2HD TYR 14 1.197 -3.839 9.985
78 HD2 TYR 14 1HD TYR 14 0.127 -1.990 6.235
79 HE1 TYR 14 2HE TYR 14 -0.975 -3.110 10.963
80 HE2 TYR 14 1HE TYR 14 -2.043 -1.255 7.222
81 HH TYR 14 HH TYR 14 -2.946 -1.998 10.610
82 H CYS 15 H CYS 15 4.498 -1.653 5.560
83 HA CYS 15 HA CYS 15 6.990 -3.131 5.944
84 HB2 CYS 15 1HB CYS 15 6.920 -4.377 3.909
85 HB3 CYS 15 2HB CYS 15 5.489 -4.782 4.843
86 H SER 16 H SER 16 8.443 -2.717 3.901
87 HA SER 16 HA SER 16 8.685 0.175 3.721
88 HB2 SER 16 1HB SER 16 10.510 -1.970 2.579
89 HB3 SER 16 2HB SER 16 10.898 -0.251 2.782
90 HG SER 16 HG SER 16 11.725 -1.535 4.499
91 H PHE 17 H PHE 17 6.495 -0.955 2.241
92 HA PHE 17 HA PHE 17 7.100 -0.563 -0.620
93 HB2 PHE 17 1HB PHE 17 5.539 -2.302 0.005
94 HB3 PHE 17 2HB PHE 17 4.544 -1.154 0.890
95 HD1 PHE 17 2HD PHE 17 5.863 -1.791 -2.586
96 HD2 PHE 17 1HD PHE 17 2.648 -0.239 -0.164
97 HE1 PHE 17 2HE PHE 17 4.491 -1.429 -4.626
98 HE2 PHE 17 1HE PHE 17 1.271 0.084 -2.200
99 HZ PHE 17 HZ PHE 17 2.193 -0.491 -4.434
100 H THR 18 H THR 18 6.754 1.219 -1.788
101 HA THR 18 HA THR 18 5.128 3.446 -0.670
102 HB THR 18 HB THR 18 6.491 5.040 -1.997
103 HG1 THR 18 1HG THR 18 7.527 3.467 -3.350
104 HG21 THR 18 3HG2 THR 18 6.825 4.783 0.435
105 HG22 THR 18 1HG2 THR 18 8.343 5.172 -0.390
106 HG23 THR 18 2HG2 THR 18 8.029 3.509 0.144
107 H CYS 19 H CYS 19 3.796 4.554 -2.077
108 HA CYS 19 HA CYS 19 3.120 3.033 -4.562
109 HB2 CYS 19 1HB CYS 19 1.901 2.446 -2.351
110 HB3 CYS 19 2HB CYS 19 1.083 4.009 -2.545
111 HG CYS 19 HG CYS 19 -0.508 2.174 -3.420
112 H LEU 20 H LEU 20 1.838 4.031 -6.098
113 HA LEU 20 HA LEU 20 2.373 6.867 -6.498
114 HB2 LEU 20 1HB LEU 20 2.674 5.117 -8.234
115 HB3 LEU 20 2HB LEU 20 0.945 4.777 -8.191
116 HG LEU 20 HG LEU 20 0.460 7.043 -9.072
117 HD11 LEU 20 1HD1 LEU 20 2.388 8.318 -8.227
118 HD12 LEU 20 2HD1 LEU 20 2.325 8.418 -9.986
119 HD13 LEU 20 3HD1 LEU 20 3.498 7.331 -9.208
120 HD21 LEU 20 3HD2 LEU 20 1.332 6.671 -11.331
121 HD22 LEU 20 1HD2 LEU 20 0.789 5.147 -10.610
122 HD23 LEU 20 2HD2 LEU 20 2.526 5.514 -10.701
123 H SER 21 H SER 21 -0.440 4.979 -5.480
124 HA SER 21 HA SER 21 -1.954 7.486 -5.114
125 HB2 SER 21 1HB SER 21 -3.903 6.818 -6.244
126 HB3 SER 21 2HB SER 21 -2.576 6.535 -7.378
127 HG SER 21 HG SER 21 -3.944 4.755 -7.369
128 H LYS 22 H LYS 22 -3.736 7.353 -3.684
129 HA LYS 22 HA LYS 22 -3.361 5.615 -1.413
130 HB2 LYS 22 1HB LYS 22 -5.695 7.427 -2.168
131 HB3 LYS 22 2HB LYS 22 -5.483 6.628 -0.602
132 HG2 LYS 22 1HG LYS 22 -3.334 7.837 -0.264
133 HG3 LYS 22 2HG LYS 22 -3.535 8.627 -1.830
134 HD2 LYS 22 1HD LYS 22 -4.171 10.185 -0.142
135 HD3 LYS 22 2HD LYS 22 -5.628 9.705 -1.022
136 HE2 LYS 22 1HE LYS 22 -6.223 8.138 0.815
137 HE3 LYS 22 2HE LYS 22 -4.730 8.561 1.666
138 HZ1 LYS 22 3HZ LYS 22 -6.626 9.816 2.524
139 HZ2 LYS 22 1HZ LYS 22 -6.936 10.461 1.057
140 HZ3 LYS 22 2HZ LYS 22 -5.560 10.846 1.848
141 H GLY 23 H GLY 23 -5.561 5.414 -4.202
142 HA2 GLY 23 1HA GLY 23 -7.179 3.235 -3.255
143 HA3 GLY 23 2HA GLY 23 -6.912 3.687 -4.943
144 H HIS 24 H HIS 24 -4.156 3.270 -5.234
145 HA HIS 24 HA HIS 24 -3.961 0.403 -5.430
146 HB2 HIS 24 1HB HIS 24 -2.993 2.012 -7.006
147 HB3 HIS 24 2HB HIS 24 -1.865 2.564 -5.782
148 HD1 HIS 24 1HD HIS 24 -1.469 -0.851 -5.055
149 HD2 HIS 24 2HD HIS 24 -0.738 1.475 -8.483
150 HE1 HIS 24 1HE HIS 24 0.252 -2.137 -6.440
151 H LEU 25 H LEU 25 -2.745 2.765 -3.016
152 HA LEU 25 HA LEU 25 -1.228 0.815 -1.528
153 HB2 LEU 25 1HB LEU 25 -0.833 3.242 -1.406
154 HB3 LEU 25 2HB LEU 25 -2.427 3.485 -0.695
155 HG LEU 25 HG LEU 25 -1.778 2.240 1.315
156 HD11 LEU 25 1HD1 LEU 25 -0.184 0.605 0.417
157 HD12 LEU 25 2HD1 LEU 25 0.588 1.571 1.663
158 HD13 LEU 25 3HD1 LEU 25 0.938 1.913 -0.043
159 HD21 LEU 25 3HD2 LEU 25 0.366 4.263 0.582
160 HD22 LEU 25 1HD2 LEU 25 -0.198 3.825 2.210
161 HD23 LEU 25 2HD2 LEU 25 -1.284 4.682 1.108
162 H LYS 26 H LYS 26 -4.631 1.951 -1.222
163 HA LYS 26 HA LYS 26 -5.274 0.451 1.119
164 HB2 LYS 26 1HB LYS 26 -6.928 1.510 -1.198
165 HB3 LYS 26 2HB LYS 26 -7.664 0.532 0.077
166 HG2 LYS 26 1HG LYS 26 -6.966 2.092 1.803
167 HG3 LYS 26 2HG LYS 26 -6.087 3.082 0.628
168 HD2 LYS 26 1HD LYS 26 -8.207 3.572 -0.564
169 HD3 LYS 26 2HD LYS 26 -9.095 2.553 0.592
170 HE2 LYS 26 1HE LYS 26 -8.334 4.035 2.452
171 HE3 LYS 26 2HE LYS 26 -7.502 5.066 1.279
172 HZ1 LYS 26 3HZ LYS 26 -10.435 4.563 1.337
173 HZ2 LYS 26 1HZ LYS 26 -9.677 5.520 0.251
174 HZ3 LYS 26 2HZ LYS 26 -9.708 5.937 1.830
175 H VAL 27 H VAL 27 -5.507 -0.597 -2.326
176 HA VAL 27 HA VAL 27 -6.434 -3.221 -1.560
177 HB VAL 27 HB VAL 27 -6.874 -2.248 -3.753
178 HG11 VAL 27 1HG1 VAL 27 -5.240 -2.407 -5.569
179 HG12 VAL 27 2HG1 VAL 27 -4.708 -1.294 -4.310
180 HG13 VAL 27 3HG1 VAL 27 -3.978 -2.911 -4.426
181 HG21 VAL 27 3HG2 VAL 27 -7.105 -4.683 -3.332
182 HG22 VAL 27 1HG2 VAL 27 -6.719 -4.300 -5.017
183 HG23 VAL 27 2HG2 VAL 27 -5.450 -4.924 -3.946
184 H HIS 28 H HIS 28 -3.129 -1.935 -1.907
185 HA HIS 28 HA HIS 28 -1.763 -4.446 -1.570
186 HB2 HIS 28 1HB HIS 28 -0.495 -2.528 -2.233
187 HB3 HIS 28 2HB HIS 28 -1.029 -1.584 -0.857
188 HD1 HIS 28 1HD HIS 28 1.361 -4.499 -1.628
189 HD2 HIS 28 2HD HIS 28 0.389 -1.723 1.372
190 HE1 HIS 28 1HE HIS 28 3.161 -4.732 0.142
191 H ILE 29 H ILE 29 -2.827 -2.032 0.901
192 HA ILE 29 HA ILE 29 -2.065 -3.618 3.149
193 HB ILE 29 HB ILE 29 -4.054 -1.345 2.847
194 HG12 ILE 29 1HG1 ILE 29 -1.242 -1.431 4.057
195 HG13 ILE 29 2HG1 ILE 29 -1.584 -0.924 2.409
196 HG21 ILE 29 1HG2 ILE 29 -3.957 -1.131 5.338
197 HG22 ILE 29 2HG2 ILE 29 -4.717 -2.627 4.841
198 HG23 ILE 29 3HG2 ILE 29 -3.036 -2.650 5.417
199 HD11 ILE 29 3HD1 ILE 29 -1.309 1.041 3.726
200 HD12 ILE 29 1HD1 ILE 29 -3.023 0.924 3.282
201 HD13 ILE 29 2HD1 ILE 29 -2.486 0.504 4.929
202 H GLU 30 H GLU 30 -5.208 -3.440 1.454
203 HA GLU 30 HA GLU 30 -6.617 -5.115 3.270
204 HB2 GLU 30 1HB GLU 30 -7.526 -3.446 1.598
205 HB3 GLU 30 2HB GLU 30 -7.182 -4.614 0.324
206 HG2 GLU 30 1HG GLU 30 -9.503 -4.722 0.828
207 HG3 GLU 30 2HG GLU 30 -8.799 -6.203 1.435
208 H ARG 31 H ARG 31 -4.438 -6.062 0.645
209 HA ARG 31 HA ARG 31 -5.540 -8.864 0.707
210 HB2 ARG 31 1HB ARG 31 -4.034 -7.419 -1.507
211 HB3 ARG 31 2HB ARG 31 -4.528 -9.114 -1.525
212 HG2 ARG 31 1HG ARG 31 -6.936 -8.374 -1.260
213 HG3 ARG 31 2HG ARG 31 -6.389 -6.700 -1.400
214 HD2 ARG 31 1HD ARG 31 -7.162 -7.340 -3.550
215 HD3 ARG 31 2HD ARG 31 -5.392 -7.271 -3.642
216 HE ARG 31 HE ARG 31 -6.223 -9.942 -3.000
217 HH11 ARG 31 2HH2 ARG 31 -6.262 -7.792 -5.766
218 HH12 ARG 31 1HH2 ARG 31 -6.259 -9.110 -6.905
219 HH21 ARG 31 2HH1 ARG 31 -6.214 -11.575 -4.506
220 HH22 ARG 31 1HH1 ARG 31 -6.235 -11.194 -6.203
221 H VAL 32 H VAL 32 -2.615 -6.972 1.150
222 HA VAL 32 HA VAL 32 -0.995 -9.421 1.442
223 HB VAL 32 HB VAL 32 -0.203 -6.511 1.726
224 HG11 VAL 32 1HG1 VAL 32 2.106 -7.364 1.544
225 HG12 VAL 32 2HG1 VAL 32 1.314 -7.991 2.991
226 HG13 VAL 32 3HG1 VAL 32 1.497 -9.036 1.563
227 HG21 VAL 32 3HG2 VAL 32 -0.837 -7.060 -0.601
228 HG22 VAL 32 1HG2 VAL 32 0.915 -6.884 -0.470
229 HG23 VAL 32 2HG2 VAL 32 0.196 -8.506 -0.554
230 H HIS 33 H HIS 33 -1.701 -6.592 3.547
231 HA HIS 33 HA HIS 33 -0.586 -8.003 5.830
232 HB2 HIS 33 1HB HIS 33 -1.631 -5.173 5.571
233 HB3 HIS 33 2HB HIS 33 -0.725 -5.829 6.939
234 HD1 HIS 33 1HD HIS 33 1.782 -7.060 5.930
235 HD2 HIS 33 2HD HIS 33 -0.092 -3.874 3.934
236 HE1 HIS 33 1HE HIS 33 3.554 -6.054 4.417
237 H LYS 34 H LYS 34 -2.452 -9.555 5.432
238 HA LYS 34 HA LYS 34 -4.871 -9.099 7.041
239 HB2 LYS 34 1HB LYS 34 -5.425 -11.376 6.475
240 HB3 LYS 34 2HB LYS 34 -4.838 -10.543 5.041
241 HG2 LYS 34 1HG LYS 34 -2.519 -11.624 5.569
242 HG3 LYS 34 2HG LYS 34 -3.386 -12.583 6.766
243 HD2 LYS 34 1HD LYS 34 -3.148 -13.897 4.755
244 HD3 LYS 34 2HD LYS 34 -4.848 -13.502 4.992
245 HE2 LYS 34 1HE LYS 34 -4.349 -13.260 2.651
246 HE3 LYS 34 2HE LYS 34 -4.642 -11.657 3.312
247 HZ1 LYS 34 3HZ LYS 34 -1.991 -12.839 2.674
248 HZ2 LYS 34 1HZ LYS 34 -2.164 -11.393 3.432
249 HZ3 LYS 34 2HZ LYS 34 -2.731 -11.581 1.918
250 H LYS 35 H LYS 35 -5.356 -10.800 8.774
251 HA LYS 35 HA LYS 35 -3.715 -10.069 10.968
252 HB2 LYS 35 1HB LYS 35 -5.325 -11.186 12.348
253 HB3 LYS 35 2HB LYS 35 -6.157 -10.341 11.047
254 HG2 LYS 35 1HG LYS 35 -6.396 -12.522 9.816
255 HG3 LYS 35 2HG LYS 35 -5.599 -13.344 11.172
256 HD2 LYS 35 1HD LYS 35 -7.419 -12.569 12.699
257 HD3 LYS 35 2HD LYS 35 -8.179 -11.729 11.345
258 HE2 LYS 35 1HE LYS 35 -9.381 -13.751 11.621
259 HE3 LYS 35 2HE LYS 35 -8.423 -13.927 10.151
260 HZ1 LYS 35 3HZ LYS 35 -7.704 -15.055 12.812
261 HZ2 LYS 35 1HZ LYS 35 -6.828 -15.256 11.442
262 HZ3 LYS 35 2HZ LYS 35 -8.316 -15.910 11.567
263 H ILE 36 H ILE 36 -3.196 -12.810 8.998
264 HA ILE 36 HA ILE 36 -1.169 -13.820 10.874
265 HB ILE 36 HB ILE 36 -3.257 -15.028 11.419
266 HG12 ILE 36 1HG1 ILE 36 -1.159 -16.877 10.229
267 HG13 ILE 36 2HG1 ILE 36 -0.966 -15.986 11.742
268 HG21 ILE 36 1HG2 ILE 36 -4.262 -16.644 9.909
269 HG22 ILE 36 2HG2 ILE 36 -4.265 -15.066 9.124
270 HG23 ILE 36 3HG2 ILE 36 -3.066 -16.286 8.649
271 HD11 ILE 36 3HD1 ILE 36 -2.978 -17.151 12.662
272 HD12 ILE 36 1HD1 ILE 36 -3.054 -18.129 11.173
273 HD13 ILE 36 2HD1 ILE 36 -1.647 -18.246 12.240
274 H LYS 37 H LYS 37 0.504 -15.015 9.923
275 HA LYS 37 HA LYS 37 1.004 -14.344 7.121
276 HB2 LYS 37 1HB LYS 37 3.287 -15.122 7.547
277 HB3 LYS 37 2HB LYS 37 2.734 -13.871 8.637
278 HG2 LYS 37 1HG LYS 37 4.050 -15.371 9.890
279 HG3 LYS 37 2HG LYS 37 2.391 -15.583 10.434
280 HD2 LYS 37 1HD LYS 37 2.213 -17.691 9.197
281 HD3 LYS 37 2HD LYS 37 3.801 -17.419 8.442
282 HE2 LYS 37 1HE LYS 37 4.856 -17.488 10.693
283 HE3 LYS 37 2HE LYS 37 3.271 -17.754 11.430
284 HZ1 LYS 37 3HZ LYS 37 4.460 -19.846 11.113
285 HZ2 LYS 37 1HZ LYS 37 4.586 -19.600 9.506
286 HZ3 LYS 37 2HZ LYS 37 3.118 -19.847 10.185
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 6.356 14.936 -12.238
2 H2 GLY 1 2H GLY 1 4.994 14.283 -12.868
3 H3 GLY 1 3H GLY 1 6.462 13.719 -13.331
4 HA2 GLY 1 1HA GLY 1 5.449 12.159 -11.816
5 HA3 GLY 1 2HA GLY 1 6.911 12.879 -11.121
6 H SER 2 H SER 2 6.036 12.297 -9.027
7 HA SER 2 HA SER 2 3.631 13.714 -8.073
8 HB2 SER 2 1HB SER 2 3.798 12.214 -6.148
9 HB3 SER 2 2HB SER 2 3.812 11.337 -7.684
10 HG SER 2 HG SER 2 5.478 10.446 -6.652
11 H SER 3 H SER 3 6.288 15.148 -8.541
12 HA SER 3 HA SER 3 7.196 16.025 -5.919
13 HB2 SER 3 1HB SER 3 8.496 17.686 -7.279
14 HB3 SER 3 2HB SER 3 8.803 15.986 -7.660
15 HG SER 3 HG SER 3 8.526 17.300 -9.544
16 H GLY 4 H GLY 4 7.042 18.124 -5.061
17 HA2 GLY 4 1HA GLY 4 5.560 20.319 -5.945
18 HA3 GLY 4 2HA GLY 4 4.412 19.289 -5.081
19 H SER 5 H SER 5 4.753 21.721 -4.029
20 HA SER 5 HA SER 5 6.946 22.096 -2.236
21 HB2 SER 5 1HB SER 5 5.530 23.902 -1.286
22 HB3 SER 5 2HB SER 5 5.662 23.959 -3.052
23 HG SER 5 HG SER 5 3.494 24.253 -2.323
24 H SER 6 H SER 6 4.000 20.250 -1.818
25 HA SER 6 HA SER 6 4.199 20.019 1.089
26 HB2 SER 6 1HB SER 6 2.381 18.336 0.752
27 HB3 SER 6 2HB SER 6 2.028 19.943 0.091
28 HG SER 6 HG SER 6 1.496 18.242 -1.378
29 H GLY 7 H GLY 7 5.685 18.379 -1.593
30 HA2 GLY 7 1HA GLY 7 7.149 16.614 -1.730
31 HA3 GLY 7 2HA GLY 7 7.378 16.769 0.008
32 H GLU 8 H GLU 8 7.678 14.518 0.003
33 HA GLU 8 HA GLU 8 7.194 12.381 0.474
34 HB2 GLU 8 1HB GLU 8 4.457 13.414 1.275
35 HB3 GLU 8 2HB GLU 8 5.179 11.878 1.742
36 HG2 GLU 8 1HG GLU 8 7.066 13.124 2.830
37 HG3 GLU 8 2HG GLU 8 6.216 14.637 2.504
38 H LYS 9 H LYS 9 5.669 10.488 0.256
39 HA LYS 9 HA LYS 9 4.026 10.321 -2.176
40 HB2 LYS 9 1HB LYS 9 6.470 8.523 -1.713
41 HB3 LYS 9 2HB LYS 9 5.125 8.106 -2.763
42 HG2 LYS 9 1HG LYS 9 6.504 8.959 -4.340
43 HG3 LYS 9 2HG LYS 9 5.594 10.403 -3.920
44 HD2 LYS 9 1HD LYS 9 7.610 10.852 -2.240
45 HD3 LYS 9 2HD LYS 9 8.431 9.594 -3.137
46 HE2 LYS 9 1HE LYS 9 9.046 11.838 -3.908
47 HE3 LYS 9 2HE LYS 9 8.294 10.902 -5.204
48 HZ1 LYS 9 3HZ LYS 9 6.626 12.712 -3.565
49 HZ2 LYS 9 1HZ LYS 9 6.377 12.179 -5.092
50 HZ3 LYS 9 2HZ LYS 9 7.510 13.317 -4.817
51 H PHE 10 H PHE 10 2.800 8.181 -2.147
52 HA PHE 10 HA PHE 10 1.777 7.761 0.558
53 HB2 PHE 10 1HB PHE 10 1.022 6.316 -1.994
54 HB3 PHE 10 2HB PHE 10 0.114 6.352 -0.491
55 HD1 PHE 10 2HD PHE 10 -0.483 8.847 0.383
56 HD2 PHE 10 1HD PHE 10 0.394 7.787 -3.700
57 HE1 PHE 10 2HE PHE 10 -1.634 10.905 -0.403
58 HE2 PHE 10 1HE PHE 10 -0.792 9.822 -4.489
59 HZ PHE 10 HZ PHE 10 -1.802 11.388 -2.838
60 H ALA 11 H ALA 11 2.131 6.078 1.912
61 HA ALA 11 HA ALA 11 3.988 3.902 1.094
62 HB1 ALA 11 1HB ALA 11 4.368 5.780 3.463
63 HB2 ALA 11 2HB ALA 11 5.420 4.421 3.007
64 HB3 ALA 11 3HB ALA 11 5.294 5.842 1.948
65 H CYS 12 H CYS 12 3.979 2.062 2.303
66 HA CYS 12 HA CYS 12 1.567 1.310 3.687
67 HB2 CYS 12 1HB CYS 12 2.852 -0.120 2.208
68 HB3 CYS 12 2HB CYS 12 4.240 -0.052 3.302
69 H ASP 13 H ASP 13 1.301 0.656 5.782
70 HA ASP 13 HA ASP 13 2.899 2.086 7.841
71 HB2 ASP 13 1HB ASP 13 0.398 2.326 7.688
72 HB3 ASP 13 2HB ASP 13 0.253 0.619 8.106
73 H TYR 14 H TYR 14 2.758 -0.998 6.450
74 HA TYR 14 HA TYR 14 3.663 -2.410 8.938
75 HB2 TYR 14 1HB TYR 14 2.312 -3.554 6.491
76 HB3 TYR 14 2HB TYR 14 2.661 -4.397 7.987
77 HD1 TYR 14 2HD TYR 14 1.318 -3.930 10.042
78 HD2 TYR 14 1HD TYR 14 0.390 -2.092 6.250
79 HE1 TYR 14 2HE TYR 14 -0.948 -3.331 10.886
80 HE2 TYR 14 1HE TYR 14 -1.875 -1.486 7.101
81 HH TYR 14 HH TYR 14 -2.953 -2.325 10.414
82 H CYS 15 H CYS 15 4.592 -1.652 5.644
83 HA CYS 15 HA CYS 15 7.194 -2.958 6.013
84 HB2 CYS 15 1HB CYS 15 7.123 -4.295 4.048
85 HB3 CYS 15 2HB CYS 15 5.732 -4.723 5.033
86 H SER 16 H SER 16 8.417 -2.609 3.722
87 HA SER 16 HA SER 16 8.594 0.302 3.510
88 HB2 SER 16 1HB SER 16 10.790 -0.161 2.416
89 HB3 SER 16 2HB SER 16 10.624 -0.888 4.021
90 HG SER 16 HG SER 16 11.496 -2.361 2.472
91 H PHE 17 H PHE 17 6.445 -1.094 2.151
92 HA PHE 17 HA PHE 17 6.834 -0.719 -0.731
93 HB2 PHE 17 1HB PHE 17 5.318 -2.421 0.041
94 HB3 PHE 17 2HB PHE 17 4.405 -1.259 0.986
95 HD1 PHE 17 2HD PHE 17 5.082 -2.499 -2.437
96 HD2 PHE 17 1HD PHE 17 2.733 0.204 -0.030
97 HE1 PHE 17 2HE PHE 17 3.491 -2.194 -4.321
98 HE2 PHE 17 1HE PHE 17 1.141 0.492 -1.908
99 HZ PHE 17 HZ PHE 17 1.511 -0.710 -4.054
100 H THR 18 H THR 18 6.326 0.980 -1.980
101 HA THR 18 HA THR 18 4.732 3.240 -0.935
102 HB THR 18 HB THR 18 6.221 4.885 -2.004
103 HG1 THR 18 1HG THR 18 8.327 4.237 -2.546
104 HG21 THR 18 3HG2 THR 18 6.454 4.390 0.433
105 HG22 THR 18 1HG2 THR 18 7.952 4.963 -0.315
106 HG23 THR 18 2HG2 THR 18 7.747 3.235 0.054
107 H CYS 19 H CYS 19 3.667 4.482 -2.526
108 HA CYS 19 HA CYS 19 3.595 3.453 -5.299
109 HB2 CYS 19 1HB CYS 19 1.184 2.891 -5.111
110 HB3 CYS 19 2HB CYS 19 2.187 1.896 -4.051
111 HG CYS 19 HG CYS 19 -0.121 2.543 -2.883
112 H LEU 20 H LEU 20 1.936 4.544 -6.622
113 HA LEU 20 HA LEU 20 2.183 7.441 -6.288
114 HB2 LEU 20 1HB LEU 20 2.882 6.169 -8.314
115 HB3 LEU 20 2HB LEU 20 1.203 5.733 -8.606
116 HG LEU 20 HG LEU 20 0.637 8.086 -9.063
117 HD11 LEU 20 1HD1 LEU 20 3.589 8.642 -8.510
118 HD12 LEU 20 2HD1 LEU 20 2.204 9.273 -7.586
119 HD13 LEU 20 3HD1 LEU 20 2.450 9.786 -9.256
120 HD21 LEU 20 3HD2 LEU 20 1.922 8.352 -11.124
121 HD22 LEU 20 1HD2 LEU 20 1.471 6.657 -10.886
122 HD23 LEU 20 2HD2 LEU 20 3.134 7.186 -10.548
123 H SER 21 H SER 21 -0.255 5.267 -5.416
124 HA SER 21 HA SER 21 -2.286 7.424 -5.321
125 HB2 SER 21 1HB SER 21 -2.766 6.324 -7.433
126 HB3 SER 21 2HB SER 21 -2.749 4.732 -6.652
127 HG SER 21 HG SER 21 -4.879 5.724 -6.978
128 H LYS 22 H LYS 22 -3.654 7.328 -3.642
129 HA LYS 22 HA LYS 22 -3.244 5.584 -1.382
130 HB2 LYS 22 1HB LYS 22 -5.604 7.368 -2.126
131 HB3 LYS 22 2HB LYS 22 -5.387 6.560 -0.566
132 HG2 LYS 22 1HG LYS 22 -3.249 7.795 -0.221
133 HG3 LYS 22 2HG LYS 22 -3.484 8.613 -1.771
134 HD2 LYS 22 1HD LYS 22 -4.146 10.115 -0.030
135 HD3 LYS 22 2HD LYS 22 -5.595 9.622 -0.917
136 HE2 LYS 22 1HE LYS 22 -6.134 7.985 0.876
137 HE3 LYS 22 2HE LYS 22 -4.654 8.432 1.736
138 HZ1 LYS 22 3HZ LYS 22 -5.556 10.682 1.983
139 HZ2 LYS 22 1HZ LYS 22 -6.588 9.599 2.630
140 HZ3 LYS 22 2HZ LYS 22 -6.922 10.274 1.183
141 H GLY 23 H GLY 23 -5.246 5.245 -4.262
142 HA2 GLY 23 1HA GLY 23 -6.958 3.106 -3.333
143 HA3 GLY 23 2HA GLY 23 -6.527 3.468 -5.012
144 H HIS 24 H HIS 24 -3.724 3.139 -4.920
145 HA HIS 24 HA HIS 24 -3.442 0.257 -4.986
146 HB2 HIS 24 1HB HIS 24 -1.324 2.437 -5.090
147 HB3 HIS 24 2HB HIS 24 -1.086 0.741 -5.496
148 HD1 HIS 24 1HD HIS 24 -0.439 2.810 -7.711
149 HD2 HIS 24 2HD HIS 24 -4.187 0.980 -7.159
150 HE1 HIS 24 1HE HIS 24 -1.652 2.977 -9.943
151 H LEU 25 H LEU 25 -2.490 2.763 -2.614
152 HA LEU 25 HA LEU 25 -1.137 1.039 -0.780
153 HB2 LEU 25 1HB LEU 25 -1.030 3.498 -0.704
154 HB3 LEU 25 2HB LEU 25 -2.746 3.586 -0.337
155 HG LEU 25 HG LEU 25 -2.396 2.535 1.843
156 HD11 LEU 25 1HD1 LEU 25 -0.096 2.205 2.695
157 HD12 LEU 25 2HD1 LEU 25 0.553 2.479 1.060
158 HD13 LEU 25 3HD1 LEU 25 -0.481 1.068 1.403
159 HD21 LEU 25 3HD2 LEU 25 -2.183 4.990 1.601
160 HD22 LEU 25 1HD2 LEU 25 -0.435 4.808 1.328
161 HD23 LEU 25 2HD2 LEU 25 -1.148 4.360 2.891
162 H LYS 26 H LYS 26 -4.611 1.951 -0.969
163 HA LYS 26 HA LYS 26 -5.502 0.399 1.251
164 HB2 LYS 26 1HB LYS 26 -6.660 2.263 -0.105
165 HB3 LYS 26 2HB LYS 26 -7.155 1.016 -1.237
166 HG2 LYS 26 1HG LYS 26 -7.795 1.047 1.753
167 HG3 LYS 26 2HG LYS 26 -8.817 1.744 0.501
168 HD2 LYS 26 1HD LYS 26 -8.995 -0.562 -0.549
169 HD3 LYS 26 2HD LYS 26 -8.199 -1.207 0.910
170 HE2 LYS 26 1HE LYS 26 -9.955 -0.181 2.328
171 HE3 LYS 26 2HE LYS 26 -10.731 0.495 0.890
172 HZ1 LYS 26 3HZ LYS 26 -10.472 -2.399 1.541
173 HZ2 LYS 26 1HZ LYS 26 -11.079 -1.827 0.122
174 HZ3 LYS 26 2HZ LYS 26 -11.841 -1.525 1.534
175 H VAL 27 H VAL 27 -5.394 -0.472 -2.227
176 HA VAL 27 HA VAL 27 -6.291 -3.169 -1.927
177 HB VAL 27 HB VAL 27 -4.623 -1.796 -4.059
178 HG11 VAL 27 1HG1 VAL 27 -5.180 -3.725 -5.540
179 HG12 VAL 27 2HG1 VAL 27 -4.067 -4.174 -4.247
180 HG13 VAL 27 3HG1 VAL 27 -5.789 -4.610 -4.124
181 HG21 VAL 27 3HG2 VAL 27 -7.029 -1.102 -3.793
182 HG22 VAL 27 1HG2 VAL 27 -6.716 -1.894 -5.340
183 HG23 VAL 27 2HG2 VAL 27 -7.516 -2.788 -4.028
184 H HIS 28 H HIS 28 -2.940 -1.860 -1.763
185 HA HIS 28 HA HIS 28 -1.592 -4.343 -1.447
186 HB2 HIS 28 1HB HIS 28 -0.411 -2.285 -1.891
187 HB3 HIS 28 2HB HIS 28 -0.998 -1.545 -0.413
188 HD1 HIS 28 1HD HIS 28 1.500 -4.259 -1.524
189 HD2 HIS 28 2HD HIS 28 0.451 -1.846 1.752
190 HE1 HIS 28 1HE HIS 28 3.342 -4.577 0.189
191 H ILE 29 H ILE 29 -2.779 -2.128 1.149
192 HA ILE 29 HA ILE 29 -2.138 -3.872 3.312
193 HB ILE 29 HB ILE 29 -4.129 -1.591 3.062
194 HG12 ILE 29 1HG1 ILE 29 -1.388 -1.722 4.416
195 HG13 ILE 29 2HG1 ILE 29 -1.633 -1.132 2.779
196 HG21 ILE 29 1HG2 ILE 29 -3.220 -3.035 5.597
197 HG22 ILE 29 2HG2 ILE 29 -4.166 -1.533 5.558
198 HG23 ILE 29 3HG2 ILE 29 -4.869 -3.009 4.938
199 HD11 ILE 29 3HD1 ILE 29 -3.130 0.663 3.639
200 HD12 ILE 29 1HD1 ILE 29 -2.733 0.154 5.300
201 HD13 ILE 29 2HD1 ILE 29 -1.461 0.758 4.235
202 H GLU 30 H GLU 30 -5.182 -3.565 1.462
203 HA GLU 30 HA GLU 30 -6.766 -5.324 3.004
204 HB2 GLU 30 1HB GLU 30 -7.464 -3.666 1.220
205 HB3 GLU 30 2HB GLU 30 -6.890 -4.805 0.005
206 HG2 GLU 30 1HG GLU 30 -9.247 -5.008 0.131
207 HG3 GLU 30 2HG GLU 30 -8.612 -6.462 0.873
208 H ARG 31 H ARG 31 -4.235 -6.173 0.664
209 HA ARG 31 HA ARG 31 -5.323 -8.963 0.439
210 HB2 ARG 31 1HB ARG 31 -3.608 -7.309 -1.451
211 HB3 ARG 31 2HB ARG 31 -3.946 -9.032 -1.656
212 HG2 ARG 31 1HG ARG 31 -6.383 -8.569 -1.708
213 HG3 ARG 31 2HG ARG 31 -6.062 -6.833 -1.574
214 HD2 ARG 31 1HD ARG 31 -4.813 -6.862 -3.682
215 HD3 ARG 31 2HD ARG 31 -5.012 -8.605 -3.826
216 HE ARG 31 HE ARG 31 -7.018 -6.519 -4.359
217 HH11 ARG 31 2HH1 ARG 31 -6.617 -9.970 -3.866
218 HH12 ARG 31 1HH1 ARG 31 -8.134 -10.341 -4.635
219 HH21 ARG 31 2HH2 ARG 31 -8.936 -7.071 -5.324
220 HH22 ARG 31 1HH2 ARG 31 -9.405 -8.742 -5.434
221 H VAL 32 H VAL 32 -2.453 -7.147 1.358
222 HA VAL 32 HA VAL 32 -1.083 -9.746 1.824
223 HB VAL 32 HB VAL 32 -0.311 -7.922 0.112
224 HG11 VAL 32 1HG1 VAL 32 1.288 -7.042 2.528
225 HG12 VAL 32 2HG1 VAL 32 1.394 -6.447 0.863
226 HG13 VAL 32 3HG1 VAL 32 -0.052 -6.107 1.828
227 HG21 VAL 32 3HG2 VAL 32 0.774 -10.084 0.475
228 HG22 VAL 32 1HG2 VAL 32 1.968 -8.793 0.260
229 HG23 VAL 32 2HG2 VAL 32 1.639 -9.431 1.886
230 H HIS 33 H HIS 33 -2.237 -7.025 3.556
231 HA HIS 33 HA HIS 33 -0.755 -7.929 5.994
232 HB2 HIS 33 1HB HIS 33 -1.744 -5.148 5.334
233 HB3 HIS 33 2HB HIS 33 -0.978 -5.634 6.845
234 HD1 HIS 33 1HD HIS 33 1.546 -7.152 6.027
235 HD2 HIS 33 2HD HIS 33 0.016 -3.838 3.952
236 HE1 HIS 33 1HE HIS 33 3.502 -6.196 4.724
237 H LYS 34 H LYS 34 -3.513 -8.731 4.822
238 HA LYS 34 HA LYS 34 -5.392 -8.249 6.988
239 HB2 LYS 34 1HB LYS 34 -6.067 -8.946 4.707
240 HB3 LYS 34 2HB LYS 34 -5.250 -10.500 4.932
241 HG2 LYS 34 1HG LYS 34 -6.793 -11.055 6.791
242 HG3 LYS 34 2HG LYS 34 -7.578 -9.471 6.620
243 HD2 LYS 34 1HD LYS 34 -8.284 -10.070 4.319
244 HD3 LYS 34 2HD LYS 34 -7.470 -11.644 4.477
245 HE2 LYS 34 1HE LYS 34 -8.938 -12.203 6.407
246 HE3 LYS 34 2HE LYS 34 -9.750 -10.641 6.244
247 HZ1 LYS 34 3HZ LYS 34 -9.736 -12.778 4.175
248 HZ2 LYS 34 1HZ LYS 34 -10.488 -11.334 4.024
249 HZ3 LYS 34 2HZ LYS 34 -10.998 -12.407 5.140
250 H LYS 35 H LYS 35 -5.655 -9.333 8.893
251 HA LYS 35 HA LYS 35 -3.403 -10.807 9.936
252 HB2 LYS 35 1HB LYS 35 -4.766 -9.187 11.236
253 HB3 LYS 35 2HB LYS 35 -6.128 -10.318 11.207
254 HG2 LYS 35 1HG LYS 35 -4.801 -11.980 12.465
255 HG3 LYS 35 2HG LYS 35 -3.380 -10.918 12.400
256 HD2 LYS 35 1HD LYS 35 -4.602 -9.208 13.720
257 HD3 LYS 35 2HD LYS 35 -6.024 -10.274 13.784
258 HE2 LYS 35 1HE LYS 35 -4.673 -12.003 14.949
259 HE3 LYS 35 2HE LYS 35 -3.251 -10.956 14.870
260 HZ1 LYS 35 3HZ LYS 35 -5.758 -10.309 16.332
261 HZ2 LYS 35 1HZ LYS 35 -4.442 -9.342 16.258
262 HZ3 LYS 35 2HZ LYS 35 -4.357 -10.780 17.023
263 H ILE 36 H ILE 36 -3.089 -12.881 10.369
264 HA ILE 36 HA ILE 36 -5.222 -14.920 9.997
265 HB ILE 36 HB ILE 36 -2.424 -15.098 8.800
266 HG12 ILE 36 1HG1 ILE 36 -5.150 -14.928 7.428
267 HG13 ILE 36 2HG1 ILE 36 -3.926 -13.656 7.462
268 HG21 ILE 36 1HG2 ILE 36 -3.194 -17.291 9.674
269 HG22 ILE 36 2HG2 ILE 36 -4.710 -17.129 8.755
270 HG23 ILE 36 3HG2 ILE 36 -3.146 -17.304 7.929
271 HD11 ILE 36 3HD1 ILE 36 -2.354 -15.167 6.226
272 HD12 ILE 36 1HD1 ILE 36 -3.712 -16.301 6.002
273 HD13 ILE 36 2HD1 ILE 36 -3.802 -14.670 5.328
274 H LYS 37 H LYS 37 -5.136 -16.541 11.495
275 HA LYS 37 HA LYS 37 -2.811 -16.918 13.257
276 HB2 LYS 37 1HB LYS 37 -3.964 -16.555 15.314
277 HB3 LYS 37 2HB LYS 37 -4.187 -15.130 14.320
278 HG2 LYS 37 1HG LYS 37 -6.346 -15.337 15.013
279 HG3 LYS 37 2HG LYS 37 -6.460 -16.391 13.618
280 HD2 LYS 37 1HD LYS 37 -5.690 -18.228 15.531
281 HD3 LYS 37 2HD LYS 37 -6.447 -17.015 16.557
282 HE2 LYS 37 1HE LYS 37 -8.268 -18.382 16.062
283 HE3 LYS 37 2HE LYS 37 -8.423 -17.122 14.835
284 HZ1 LYS 37 3HZ LYS 37 -8.599 -19.163 13.670
285 HZ2 LYS 37 1HZ LYS 37 -7.382 -19.872 14.496
286 HZ3 LYS 37 2HZ LYS 37 -7.026 -18.736 13.397
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 5.998 34.096 -8.608
2 H2 GLY 1 2H GLY 1 5.552 35.284 -7.571
3 H3 GLY 1 3H GLY 1 4.508 34.074 -7.934
4 HA2 GLY 1 1HA GLY 1 7.046 33.769 -6.463
5 HA3 GLY 1 2HA GLY 1 5.429 33.728 -5.740
6 H SER 2 H SER 2 6.143 31.610 -4.938
7 HA SER 2 HA SER 2 5.393 29.409 -6.764
8 HB2 SER 2 1HB SER 2 7.369 28.079 -6.153
9 HB3 SER 2 2HB SER 2 7.813 29.548 -7.031
10 HG SER 2 HG SER 2 9.156 29.198 -5.201
11 H SER 3 H SER 3 5.129 27.335 -5.611
12 HA SER 3 HA SER 3 4.725 27.402 -2.700
13 HB2 SER 3 1HB SER 3 2.586 28.268 -3.764
14 HB3 SER 3 2HB SER 3 2.402 26.676 -4.526
15 HG SER 3 HG SER 3 1.289 26.871 -2.496
16 H GLY 4 H GLY 4 4.101 25.204 -1.884
17 HA2 GLY 4 1HA GLY 4 5.929 23.218 -2.883
18 HA3 GLY 4 2HA GLY 4 4.755 22.996 -1.591
19 H SER 5 H SER 5 5.637 21.378 -4.033
20 HA SER 5 HA SER 5 3.087 21.006 -5.500
21 HB2 SER 5 1HB SER 5 4.499 19.797 -7.122
22 HB3 SER 5 2HB SER 5 5.043 21.457 -6.832
23 HG SER 5 HG SER 5 6.786 19.949 -6.813
24 H SER 6 H SER 6 4.412 19.619 -2.798
25 HA SER 6 HA SER 6 3.063 17.001 -3.234
26 HB2 SER 6 1HB SER 6 4.980 15.821 -2.278
27 HB3 SER 6 2HB SER 6 5.437 16.686 -3.751
28 HG SER 6 HG SER 6 6.973 16.987 -2.078
29 H GLY 7 H GLY 7 2.873 15.735 -1.190
30 HA2 GLY 7 1HA GLY 7 3.162 16.656 1.404
31 HA3 GLY 7 2HA GLY 7 1.608 17.326 0.891
32 H GLU 8 H GLU 8 0.932 14.983 -0.803
33 HA GLU 8 HA GLU 8 -0.186 13.239 1.253
34 HB2 GLU 8 1HB GLU 8 -0.456 13.201 -1.774
35 HB3 GLU 8 2HB GLU 8 -1.362 12.181 -0.644
36 HG2 GLU 8 1HG GLU 8 -2.297 14.219 0.439
37 HG3 GLU 8 2HG GLU 8 -1.471 15.224 -0.754
38 H LYS 9 H LYS 9 2.407 12.927 1.596
39 HA LYS 9 HA LYS 9 3.588 10.782 0.012
40 HB2 LYS 9 1HB LYS 9 4.759 12.831 0.975
41 HB3 LYS 9 2HB LYS 9 4.695 12.028 2.547
42 HG2 LYS 9 1HG LYS 9 6.017 10.115 1.568
43 HG3 LYS 9 2HG LYS 9 5.990 10.925 0.001
44 HD2 LYS 9 1HD LYS 9 8.134 11.288 1.030
45 HD3 LYS 9 2HD LYS 9 7.269 12.831 0.971
46 HE2 LYS 9 1HE LYS 9 6.636 12.568 3.361
47 HE3 LYS 9 2HE LYS 9 7.443 10.997 3.409
48 HZ1 LYS 9 3HZ LYS 9 9.546 12.140 2.940
49 HZ2 LYS 9 1HZ LYS 9 8.868 12.756 4.289
50 HZ3 LYS 9 2HZ LYS 9 8.799 13.592 2.890
51 H PHE 10 H PHE 10 1.419 9.643 0.786
52 HA PHE 10 HA PHE 10 1.648 8.135 3.275
53 HB2 PHE 10 1HB PHE 10 -0.501 8.924 2.468
54 HB3 PHE 10 2HB PHE 10 -0.306 8.049 0.960
55 HD1 PHE 10 2HD PHE 10 0.129 6.986 4.580
56 HD2 PHE 10 1HD PHE 10 -2.001 6.444 0.869
57 HE1 PHE 10 2HE PHE 10 -1.061 5.037 5.541
58 HE2 PHE 10 1HE PHE 10 -3.195 4.498 1.837
59 HZ PHE 10 HZ PHE 10 -2.723 3.788 4.176
60 H ALA 11 H ALA 11 2.169 6.052 3.578
61 HA ALA 11 HA ALA 11 3.185 4.320 1.396
62 HB1 ALA 11 1HB ALA 11 5.076 5.702 2.277
63 HB2 ALA 11 2HB ALA 11 4.725 5.109 3.913
64 HB3 ALA 11 3HB ALA 11 5.270 3.978 2.657
65 H CYS 12 H CYS 12 3.659 2.051 2.277
66 HA CYS 12 HA CYS 12 1.412 1.025 3.693
67 HB2 CYS 12 1HB CYS 12 2.731 -0.232 2.061
68 HB3 CYS 12 2HB CYS 12 4.123 -0.219 3.160
69 H ASP 13 H ASP 13 1.123 0.308 5.747
70 HA ASP 13 HA ASP 13 2.726 1.623 7.850
71 HB2 ASP 13 1HB ASP 13 0.205 1.739 7.711
72 HB3 ASP 13 2HB ASP 13 0.160 0.024 8.116
73 H TYR 14 H TYR 14 2.723 -1.407 6.349
74 HA TYR 14 HA TYR 14 3.834 -2.815 8.761
75 HB2 TYR 14 1HB TYR 14 2.189 -3.927 6.480
76 HB3 TYR 14 2HB TYR 14 2.804 -4.846 7.846
77 HD1 TYR 14 2HD TYR 14 2.012 -4.199 10.215
78 HD2 TYR 14 1HD TYR 14 0.078 -2.828 6.609
79 HE1 TYR 14 2HE TYR 14 -0.044 -3.680 11.518
80 HE2 TYR 14 1HE TYR 14 -1.983 -2.307 7.921
81 HH TYR 14 HH TYR 14 -2.190 -2.881 11.450
82 H CYS 15 H CYS 15 4.564 -1.910 5.497
83 HA CYS 15 HA CYS 15 7.186 -3.173 5.736
84 HB2 CYS 15 1HB CYS 15 7.165 -4.368 3.682
85 HB3 CYS 15 2HB CYS 15 5.802 -4.926 4.639
86 H SER 16 H SER 16 8.410 -2.591 3.500
87 HA SER 16 HA SER 16 8.408 0.336 3.480
88 HB2 SER 16 1HB SER 16 10.631 0.080 2.374
89 HB3 SER 16 2HB SER 16 10.505 -0.754 3.929
90 HG SER 16 HG SER 16 11.476 -2.069 2.299
91 H PHE 17 H PHE 17 6.331 -1.075 2.030
92 HA PHE 17 HA PHE 17 6.821 -0.565 -0.818
93 HB2 PHE 17 1HB PHE 17 5.511 -2.494 -0.160
94 HB3 PHE 17 2HB PHE 17 4.342 -1.462 0.661
95 HD1 PHE 17 2HD PHE 17 5.785 -2.246 -2.716
96 HD2 PHE 17 1HD PHE 17 2.497 -0.544 -0.513
97 HE1 PHE 17 2HE PHE 17 4.483 -2.029 -4.821
98 HE2 PHE 17 1HE PHE 17 1.194 -0.326 -2.620
99 HZ PHE 17 HZ PHE 17 2.188 -1.070 -4.776
100 H THR 18 H THR 18 6.046 0.976 -2.091
101 HA THR 18 HA THR 18 4.191 3.073 -1.134
102 HB THR 18 HB THR 18 5.636 4.800 -2.316
103 HG1 THR 18 1HG THR 18 7.080 3.373 -3.348
104 HG21 THR 18 3HG2 THR 18 7.093 5.221 -0.410
105 HG22 THR 18 1HG2 THR 18 6.835 3.570 0.193
106 HG23 THR 18 2HG2 THR 18 5.481 4.722 0.125
107 H CYS 19 H CYS 19 2.979 4.036 -2.771
108 HA CYS 19 HA CYS 19 3.519 3.337 -5.584
109 HB2 CYS 19 1HB CYS 19 1.949 1.594 -4.584
110 HB3 CYS 19 2HB CYS 19 0.769 2.895 -4.341
111 HG CYS 19 HG CYS 19 2.255 1.922 -7.164
112 H LEU 20 H LEU 20 2.590 4.806 -7.076
113 HA LEU 20 HA LEU 20 2.108 7.515 -6.151
114 HB2 LEU 20 1HB LEU 20 3.258 6.903 -8.232
115 HB3 LEU 20 2HB LEU 20 1.785 6.217 -8.898
116 HG LEU 20 HG LEU 20 1.873 9.129 -8.017
117 HD11 LEU 20 1HD1 LEU 20 3.814 8.800 -9.493
118 HD12 LEU 20 2HD1 LEU 20 2.561 9.745 -10.307
119 HD13 LEU 20 3HD1 LEU 20 2.777 8.025 -10.712
120 HD21 LEU 20 3HD2 LEU 20 0.247 9.410 -9.885
121 HD22 LEU 20 1HD2 LEU 20 -0.357 8.267 -8.697
122 HD23 LEU 20 2HD2 LEU 20 0.329 7.669 -10.221
123 H SER 21 H SER 21 0.037 4.853 -7.329
124 HA SER 21 HA SER 21 -2.457 6.342 -6.860
125 HB2 SER 21 1HB SER 21 -2.483 4.707 -8.616
126 HB3 SER 21 2HB SER 21 -1.929 3.429 -7.516
127 HG SER 21 HG SER 21 -4.299 3.626 -7.950
128 H LYS 22 H LYS 22 -2.995 6.822 -4.838
129 HA LYS 22 HA LYS 22 -2.231 5.152 -2.566
130 HB2 LYS 22 1HB LYS 22 -4.141 7.509 -2.606
131 HB3 LYS 22 2HB LYS 22 -3.389 6.769 -1.194
132 HG2 LYS 22 1HG LYS 22 -2.044 8.391 -3.385
133 HG3 LYS 22 2HG LYS 22 -2.188 8.782 -1.672
134 HD2 LYS 22 1HD LYS 22 -0.661 6.868 -1.129
135 HD3 LYS 22 2HD LYS 22 -0.488 6.537 -2.864
136 HE2 LYS 22 1HE LYS 22 0.365 8.848 -3.207
137 HE3 LYS 22 2HE LYS 22 0.298 9.117 -1.462
138 HZ1 LYS 22 3HZ LYS 22 2.518 8.415 -2.206
139 HZ2 LYS 22 1HZ LYS 22 1.915 7.018 -2.814
140 HZ3 LYS 22 2HZ LYS 22 1.903 7.283 -1.190
141 H GLY 23 H GLY 23 -4.910 5.117 -4.725
142 HA2 GLY 23 1HA GLY 23 -6.714 3.500 -3.113
143 HA3 GLY 23 2HA GLY 23 -6.702 3.658 -4.877
144 H HIS 24 H HIS 24 -4.106 2.751 -5.515
145 HA HIS 24 HA HIS 24 -4.297 -0.107 -5.204
146 HB2 HIS 24 1HB HIS 24 -3.237 0.996 -7.137
147 HB3 HIS 24 2HB HIS 24 -1.963 1.626 -6.088
148 HD1 HIS 24 1HD HIS 24 0.159 0.245 -6.566
149 HD2 HIS 24 2HD HIS 24 -3.380 -2.028 -6.524
150 HE1 HIS 24 1HE HIS 24 0.865 -2.188 -6.909
151 H LEU 25 H LEU 25 -2.339 2.366 -3.474
152 HA LEU 25 HA LEU 25 -0.977 0.518 -1.773
153 HB2 LEU 25 1HB LEU 25 -0.273 2.837 -2.105
154 HB3 LEU 25 2HB LEU 25 -1.761 3.417 -1.349
155 HG LEU 25 HG LEU 25 -1.106 2.512 0.814
156 HD11 LEU 25 1HD1 LEU 25 0.216 0.535 0.135
157 HD12 LEU 25 2HD1 LEU 25 1.154 1.593 1.175
158 HD13 LEU 25 3HD1 LEU 25 1.455 1.604 -0.576
159 HD21 LEU 25 3HD2 LEU 25 0.663 4.041 1.283
160 HD22 LEU 25 1HD2 LEU 25 -0.328 4.771 0.021
161 HD23 LEU 25 2HD2 LEU 25 1.228 4.037 -0.410
162 H LYS 26 H LYS 26 -4.142 2.181 -1.307
163 HA LYS 26 HA LYS 26 -4.776 1.055 1.240
164 HB2 LYS 26 1HB LYS 26 -5.995 2.915 0.280
165 HB3 LYS 26 2HB LYS 26 -6.535 1.937 -1.085
166 HG2 LYS 26 1HG LYS 26 -7.920 0.553 0.366
167 HG3 LYS 26 2HG LYS 26 -7.295 1.387 1.809
168 HD2 LYS 26 1HD LYS 26 -8.328 3.484 1.115
169 HD3 LYS 26 2HD LYS 26 -8.753 2.811 -0.460
170 HE2 LYS 26 1HE LYS 26 -10.723 2.944 0.949
171 HE3 LYS 26 2HE LYS 26 -10.350 1.266 0.546
172 HZ1 LYS 26 3HZ LYS 26 -9.471 0.925 2.728
173 HZ2 LYS 26 1HZ LYS 26 -10.928 1.620 2.914
174 HZ3 LYS 26 2HZ LYS 26 -9.583 2.524 3.126
175 H VAL 27 H VAL 27 -5.393 -0.267 -2.047
176 HA VAL 27 HA VAL 27 -6.495 -2.760 -1.118
177 HB VAL 27 HB VAL 27 -5.100 -2.070 -3.727
178 HG11 VAL 27 1HG1 VAL 27 -4.876 -4.496 -3.433
179 HG12 VAL 27 2HG1 VAL 27 -6.581 -4.629 -2.951
180 HG13 VAL 27 3HG1 VAL 27 -6.144 -4.167 -4.611
181 HG21 VAL 27 3HG2 VAL 27 -7.386 -2.114 -4.628
182 HG22 VAL 27 1HG2 VAL 27 -8.035 -2.549 -3.032
183 HG23 VAL 27 2HG2 VAL 27 -7.304 -0.958 -3.295
184 H HIS 28 H HIS 28 -3.036 -1.904 -1.854
185 HA HIS 28 HA HIS 28 -1.919 -4.423 -1.273
186 HB2 HIS 28 1HB HIS 28 -0.545 -2.707 -2.202
187 HB3 HIS 28 2HB HIS 28 -0.858 -1.611 -0.868
188 HD1 HIS 28 1HD HIS 28 1.459 -4.451 -1.805
189 HD2 HIS 28 2HD HIS 28 0.430 -2.048 1.481
190 HE1 HIS 28 1HE HIS 28 3.277 -4.829 -0.077
191 H ILE 29 H ILE 29 -2.570 -1.767 1.096
192 HA ILE 29 HA ILE 29 -1.693 -3.230 3.387
193 HB ILE 29 HB ILE 29 -3.667 -0.938 3.134
194 HG12 ILE 29 1HG1 ILE 29 -0.744 -0.965 4.052
195 HG13 ILE 29 2HG1 ILE 29 -1.240 -0.566 2.414
196 HG21 ILE 29 1HG2 ILE 29 -2.362 -2.136 5.624
197 HG22 ILE 29 2HG2 ILE 29 -3.264 -0.604 5.597
198 HG23 ILE 29 3HG2 ILE 29 -4.100 -2.106 5.258
199 HD11 ILE 29 3HD1 ILE 29 -0.874 1.490 3.548
200 HD12 ILE 29 1HD1 ILE 29 -2.623 1.325 3.313
201 HD13 ILE 29 2HD1 ILE 29 -1.894 1.022 4.913
202 H GLU 30 H GLU 30 -4.930 -3.036 1.888
203 HA GLU 30 HA GLU 30 -6.144 -4.788 3.868
204 HB2 GLU 30 1HB GLU 30 -7.092 -3.551 1.263
205 HB3 GLU 30 2HB GLU 30 -8.100 -4.626 2.238
206 HG2 GLU 30 1HG GLU 30 -7.902 -3.155 4.186
207 HG3 GLU 30 2HG GLU 30 -6.812 -2.082 3.313
208 H ARG 31 H ARG 31 -4.240 -5.590 1.119
209 HA ARG 31 HA ARG 31 -5.574 -8.248 0.822
210 HB2 ARG 31 1HB ARG 31 -5.585 -6.787 -1.167
211 HB3 ARG 31 2HB ARG 31 -3.832 -6.608 -1.066
212 HG2 ARG 31 1HG ARG 31 -4.421 -8.134 -2.836
213 HG3 ARG 31 2HG ARG 31 -3.499 -8.967 -1.594
214 HD2 ARG 31 1HD ARG 31 -5.764 -9.785 -0.650
215 HD3 ARG 31 2HD ARG 31 -6.500 -9.088 -2.094
216 HE ARG 31 HE ARG 31 -5.690 -10.868 -3.350
217 HH11 ARG 31 2HH1 ARG 31 -3.950 -10.975 -0.265
218 HH12 ARG 31 1HH1 ARG 31 -3.342 -12.572 -0.604
219 HH21 ARG 31 2HH2 ARG 31 -4.824 -12.875 -3.680
220 HH22 ARG 31 1HH2 ARG 31 -3.799 -13.599 -2.477
221 H VAL 32 H VAL 32 -2.447 -6.698 1.343
222 HA VAL 32 HA VAL 32 -1.047 -9.291 1.245
223 HB VAL 32 HB VAL 32 0.025 -6.459 1.507
224 HG11 VAL 32 1HG1 VAL 32 1.471 -9.073 0.923
225 HG12 VAL 32 2HG1 VAL 32 2.182 -7.449 0.783
226 HG13 VAL 32 3HG1 VAL 32 1.674 -8.044 2.362
227 HG21 VAL 32 3HG2 VAL 32 -0.202 -8.327 -0.902
228 HG22 VAL 32 1HG2 VAL 32 -1.075 -6.797 -0.675
229 HG23 VAL 32 2HG2 VAL 32 0.673 -6.783 -0.889
230 H HIS 33 H HIS 33 -1.990 -6.878 3.635
231 HA HIS 33 HA HIS 33 -0.446 -8.303 5.743
232 HB2 HIS 33 1HB HIS 33 -1.381 -5.430 5.640
233 HB3 HIS 33 2HB HIS 33 -0.448 -6.166 6.940
234 HD1 HIS 33 1HD HIS 33 2.013 -7.367 5.879
235 HD2 HIS 33 2HD HIS 33 0.081 -4.238 3.858
236 HE1 HIS 33 1HE HIS 33 3.754 -6.373 4.323
237 H LYS 34 H LYS 34 -3.029 -9.274 4.848
238 HA LYS 34 HA LYS 34 -4.957 -8.902 7.007
239 HB2 LYS 34 1HB LYS 34 -4.553 -11.189 5.022
240 HB3 LYS 34 2HB LYS 34 -5.878 -11.085 6.187
241 HG2 LYS 34 1HG LYS 34 -6.594 -8.919 5.141
242 HG3 LYS 34 2HG LYS 34 -5.351 -9.151 3.891
243 HD2 LYS 34 1HD LYS 34 -6.406 -11.292 3.226
244 HD3 LYS 34 2HD LYS 34 -7.615 -11.106 4.515
245 HE2 LYS 34 1HE LYS 34 -8.368 -8.965 3.451
246 HE3 LYS 34 2HE LYS 34 -7.226 -9.240 2.136
247 HZ1 LYS 34 3HZ LYS 34 -9.490 -11.039 2.837
248 HZ2 LYS 34 1HZ LYS 34 -8.433 -11.310 1.622
249 HZ3 LYS 34 2HZ LYS 34 -9.447 -10.032 1.555
250 H LYS 35 H LYS 35 -5.239 -10.081 8.847
251 HA LYS 35 HA LYS 35 -4.583 -11.089 10.803
252 HB2 LYS 35 1HB LYS 35 -3.693 -13.302 8.918
253 HB3 LYS 35 2HB LYS 35 -4.093 -13.490 10.616
254 HG2 LYS 35 1HG LYS 35 -6.019 -12.715 8.383
255 HG3 LYS 35 2HG LYS 35 -5.894 -14.283 9.161
256 HD2 LYS 35 1HD LYS 35 -6.802 -11.707 10.520
257 HD3 LYS 35 2HD LYS 35 -7.836 -13.019 9.956
258 HE2 LYS 35 1HE LYS 35 -6.686 -14.595 11.513
259 HE3 LYS 35 2HE LYS 35 -5.704 -13.259 12.127
260 HZ1 LYS 35 3HZ LYS 35 -8.669 -13.415 12.298
261 HZ2 LYS 35 1HZ LYS 35 -7.765 -12.175 12.863
262 HZ3 LYS 35 2HZ LYS 35 -7.637 -13.654 13.539
263 H ILE 36 H ILE 36 -2.648 -9.260 9.923
264 HA ILE 36 HA ILE 36 0.002 -10.269 10.105
265 HB ILE 36 HB ILE 36 -0.629 -8.165 9.021
266 HG12 ILE 36 1HG1 ILE 36 1.199 -6.712 9.738
267 HG13 ILE 36 2HG1 ILE 36 1.445 -7.679 11.188
268 HG21 ILE 36 1HG2 ILE 36 -2.286 -7.332 10.689
269 HG22 ILE 36 2HG2 ILE 36 -0.950 -6.966 11.803
270 HG23 ILE 36 3HG2 ILE 36 -1.082 -6.123 10.247
271 HD11 ILE 36 3HD1 ILE 36 1.729 -8.693 8.317
272 HD12 ILE 36 1HD1 ILE 36 3.067 -8.182 9.363
273 HD13 ILE 36 2HD1 ILE 36 2.119 -9.613 9.791
274 H LYS 37 H LYS 37 1.562 -10.170 11.726
275 HA LYS 37 HA LYS 37 0.661 -11.006 14.325
276 HB2 LYS 37 1HB LYS 37 2.638 -11.930 13.114
277 HB3 LYS 37 2HB LYS 37 3.459 -10.381 13.292
278 HG2 LYS 37 1HG LYS 37 4.312 -11.930 14.917
279 HG3 LYS 37 2HG LYS 37 3.438 -10.657 15.768
280 HD2 LYS 37 1HD LYS 37 1.500 -12.168 16.075
281 HD3 LYS 37 2HD LYS 37 2.318 -13.427 15.122
282 HE2 LYS 37 1HE LYS 37 4.164 -13.469 16.791
283 HE3 LYS 37 2HE LYS 37 3.336 -12.226 17.737
284 HZ1 LYS 37 3HZ LYS 37 2.877 -14.447 18.601
285 HZ2 LYS 37 1HZ LYS 37 2.256 -14.938 17.175
286 HZ3 LYS 37 2HZ LYS 37 1.491 -13.790 18.050
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -9.507 25.313 -12.463
2 H2 GLY 1 2H GLY 1 -9.949 24.069 -13.432
3 H3 GLY 1 3H GLY 1 -8.837 25.157 -13.951
4 HA2 GLY 1 1HA GLY 1 -7.736 23.119 -13.330
5 HA3 GLY 1 2HA GLY 1 -7.269 24.458 -12.267
6 H SER 2 H SER 2 -6.661 22.756 -10.753
7 HA SER 2 HA SER 2 -8.852 22.078 -8.898
8 HB2 SER 2 1HB SER 2 -8.636 20.133 -10.482
9 HB3 SER 2 2HB SER 2 -6.965 19.924 -9.927
10 HG SER 2 HG SER 2 -8.522 18.609 -8.794
11 H SER 3 H SER 3 -8.072 21.419 -6.794
12 HA SER 3 HA SER 3 -5.253 21.757 -6.086
13 HB2 SER 3 1HB SER 3 -6.163 24.110 -6.198
14 HB3 SER 3 2HB SER 3 -7.300 23.679 -4.905
15 HG SER 3 HG SER 3 -5.341 24.657 -4.131
16 H GLY 4 H GLY 4 -4.859 21.259 -3.806
17 HA2 GLY 4 1HA GLY 4 -5.152 20.116 -1.831
18 HA3 GLY 4 2HA GLY 4 -6.897 20.219 -2.059
19 H SER 5 H SER 5 -5.573 18.702 -4.744
20 HA SER 5 HA SER 5 -5.549 15.948 -3.645
21 HB2 SER 5 1HB SER 5 -7.898 16.683 -4.390
22 HB3 SER 5 2HB SER 5 -7.277 16.617 -6.046
23 HG SER 5 HG SER 5 -8.324 14.664 -5.086
24 H SER 6 H SER 6 -3.464 17.641 -4.534
25 HA SER 6 HA SER 6 -2.776 17.215 -7.284
26 HB2 SER 6 1HB SER 6 -1.100 18.395 -5.048
27 HB3 SER 6 2HB SER 6 -0.864 18.609 -6.794
28 HG SER 6 HG SER 6 -1.988 20.376 -5.869
29 H GLY 7 H GLY 7 -2.976 14.703 -6.612
30 HA2 GLY 7 1HA GLY 7 -1.885 12.710 -7.031
31 HA3 GLY 7 2HA GLY 7 -0.402 13.619 -7.318
32 H GLU 8 H GLU 8 -1.934 13.928 -4.168
33 HA GLU 8 HA GLU 8 0.417 12.838 -2.852
34 HB2 GLU 8 1HB GLU 8 -0.816 14.823 -2.051
35 HB3 GLU 8 2HB GLU 8 -2.213 13.806 -1.674
36 HG2 GLU 8 1HG GLU 8 -0.864 12.541 -0.030
37 HG3 GLU 8 2HG GLU 8 0.573 13.466 -0.473
38 H LYS 9 H LYS 9 0.752 10.912 -1.946
39 HA LYS 9 HA LYS 9 -1.379 9.127 -1.095
40 HB2 LYS 9 1HB LYS 9 -0.858 7.226 -2.404
41 HB3 LYS 9 2HB LYS 9 -1.163 8.551 -3.506
42 HG2 LYS 9 1HG LYS 9 1.560 7.377 -2.822
43 HG3 LYS 9 2HG LYS 9 0.625 7.127 -4.297
44 HD2 LYS 9 1HD LYS 9 0.770 9.645 -4.684
45 HD3 LYS 9 2HD LYS 9 1.976 9.694 -3.390
46 HE2 LYS 9 1HE LYS 9 2.149 8.223 -6.041
47 HE3 LYS 9 2HE LYS 9 3.061 9.650 -5.549
48 HZ1 LYS 9 3HZ LYS 9 3.327 6.910 -4.443
49 HZ2 LYS 9 1HZ LYS 9 4.052 8.225 -3.756
50 HZ3 LYS 9 2HZ LYS 9 4.460 7.752 -5.264
51 H PHE 10 H PHE 10 -0.692 7.536 0.385
52 HA PHE 10 HA PHE 10 1.879 8.240 1.686
53 HB2 PHE 10 1HB PHE 10 -0.332 8.765 2.757
54 HB3 PHE 10 2HB PHE 10 -0.632 7.036 2.884
55 HD1 PHE 10 1HD PHE 10 1.912 9.663 3.751
56 HD2 PHE 10 2HD PHE 10 0.092 5.920 4.846
57 HE1 PHE 10 1HE PHE 10 3.207 9.659 5.881
58 HE2 PHE 10 2HE PHE 10 1.382 5.910 6.975
59 HZ PHE 10 HZ PHE 10 2.943 7.779 7.492
60 H ALA 11 H ALA 11 3.034 6.641 2.913
61 HA ALA 11 HA ALA 11 3.465 4.187 1.390
62 HB1 ALA 11 1HB ALA 11 5.321 5.664 2.159
63 HB2 ALA 11 2HB ALA 11 4.882 5.307 3.845
64 HB3 ALA 11 3HB ALA 11 5.470 4.010 2.784
65 H CYS 12 H CYS 12 3.817 2.090 2.404
66 HA CYS 12 HA CYS 12 1.683 1.169 4.069
67 HB2 CYS 12 1HB CYS 12 2.856 -0.188 2.418
68 HB3 CYS 12 2HB CYS 12 4.340 -0.091 3.377
69 H ASP 13 H ASP 13 1.569 0.619 6.161
70 HA ASP 13 HA ASP 13 3.402 1.956 8.071
71 HB2 ASP 13 1HB ASP 13 0.907 2.268 8.151
72 HB3 ASP 13 2HB ASP 13 0.747 0.559 8.556
73 H TYR 14 H TYR 14 3.036 -1.110 6.681
74 HA TYR 14 HA TYR 14 4.108 -2.576 9.065
75 HB2 TYR 14 1HB TYR 14 2.555 -3.658 6.709
76 HB3 TYR 14 2HB TYR 14 3.004 -4.530 8.163
77 HD1 TYR 14 2HD TYR 14 1.922 -3.900 10.377
78 HD2 TYR 14 1HD TYR 14 0.574 -2.316 6.595
79 HE1 TYR 14 2HE TYR 14 -0.246 -3.254 11.420
80 HE2 TYR 14 1HE TYR 14 -1.597 -1.673 7.644
81 HH TYR 14 HH TYR 14 -2.300 -2.291 11.102
82 H CYS 15 H CYS 15 4.823 -1.750 5.741
83 HA CYS 15 HA CYS 15 7.441 -3.026 5.959
84 HB2 CYS 15 1HB CYS 15 7.324 -4.316 3.956
85 HB3 CYS 15 2HB CYS 15 6.023 -4.820 5.020
86 H SER 16 H SER 16 8.718 -2.525 3.813
87 HA SER 16 HA SER 16 8.798 0.380 3.699
88 HB2 SER 16 1HB SER 16 10.639 -1.653 2.401
89 HB3 SER 16 2HB SER 16 10.957 0.080 2.619
90 HG SER 16 HG SER 16 11.937 -1.195 4.260
91 H PHE 17 H PHE 17 6.490 -0.509 2.362
92 HA PHE 17 HA PHE 17 7.076 -0.396 -0.549
93 HB2 PHE 17 1HB PHE 17 5.920 -2.349 0.209
94 HB3 PHE 17 2HB PHE 17 4.707 -1.378 1.037
95 HD1 PHE 17 2HD PHE 17 6.077 -2.085 -2.402
96 HD2 PHE 17 1HD PHE 17 2.714 -0.763 -0.047
97 HE1 PHE 17 2HE PHE 17 4.642 -2.096 -4.433
98 HE2 PHE 17 1HE PHE 17 1.273 -0.859 -2.048
99 HZ PHE 17 HZ PHE 17 2.233 -1.507 -4.259
100 H THR 18 H THR 18 6.266 0.958 -1.953
101 HA THR 18 HA THR 18 4.047 2.802 -1.399
102 HB THR 18 HB THR 18 5.287 4.661 -2.592
103 HG1 THR 18 1HG THR 18 7.544 4.607 -2.483
104 HG21 THR 18 3HG2 THR 18 6.440 3.912 0.119
105 HG22 THR 18 1HG2 THR 18 4.923 4.795 -0.184
106 HG23 THR 18 2HG2 THR 18 6.470 5.517 -0.638
107 H CYS 19 H CYS 19 2.971 3.466 -3.294
108 HA CYS 19 HA CYS 19 4.060 2.695 -5.933
109 HB2 CYS 19 1HB CYS 19 2.451 0.906 -4.958
110 HB3 CYS 19 2HB CYS 19 1.169 2.092 -5.276
111 HG CYS 19 HG CYS 19 1.260 0.265 -7.189
112 H LEU 20 H LEU 20 2.365 3.658 -7.663
113 HA LEU 20 HA LEU 20 2.598 6.507 -7.153
114 HB2 LEU 20 1HB LEU 20 2.525 6.838 -9.413
115 HB3 LEU 20 2HB LEU 20 3.406 5.336 -9.217
116 HG LEU 20 HG LEU 20 0.493 5.610 -10.120
117 HD11 LEU 20 1HD1 LEU 20 2.134 6.442 -11.760
118 HD12 LEU 20 2HD1 LEU 20 1.355 4.955 -12.320
119 HD13 LEU 20 3HD1 LEU 20 3.012 4.898 -11.674
120 HD21 LEU 20 3HD2 LEU 20 0.711 3.223 -10.805
121 HD22 LEU 20 1HD2 LEU 20 0.774 3.422 -9.061
122 HD23 LEU 20 2HD2 LEU 20 2.280 3.139 -9.976
123 H SER 21 H SER 21 -0.150 4.362 -7.201
124 HA SER 21 HA SER 21 -2.063 6.448 -7.930
125 HB2 SER 21 1HB SER 21 -2.530 3.573 -7.071
126 HB3 SER 21 2HB SER 21 -3.733 4.670 -7.779
127 HG SER 21 HG SER 21 -2.784 3.306 -9.362
128 H LYS 22 H LYS 22 -3.803 7.244 -6.689
129 HA LYS 22 HA LYS 22 -3.237 7.899 -3.970
130 HB2 LYS 22 1HB LYS 22 -5.846 8.045 -5.535
131 HB3 LYS 22 2HB LYS 22 -5.576 8.778 -3.948
132 HG2 LYS 22 1HG LYS 22 -3.749 10.165 -4.868
133 HG3 LYS 22 2HG LYS 22 -4.007 9.461 -6.474
134 HD2 LYS 22 1HD LYS 22 -6.312 10.346 -6.518
135 HD3 LYS 22 2HD LYS 22 -6.085 11.043 -4.896
136 HE2 LYS 22 1HE LYS 22 -4.245 12.448 -5.734
137 HE3 LYS 22 2HE LYS 22 -4.399 11.733 -7.346
138 HZ1 LYS 22 3HZ LYS 22 -5.555 13.888 -7.145
139 HZ2 LYS 22 1HZ LYS 22 -6.516 13.324 -5.986
140 HZ3 LYS 22 2HZ LYS 22 -6.627 12.693 -7.501
141 H GLY 23 H GLY 23 -5.245 5.308 -5.259
142 HA2 GLY 23 1HA GLY 23 -6.267 4.494 -2.627
143 HA3 GLY 23 2HA GLY 23 -6.638 3.777 -4.192
144 H HIS 24 H HIS 24 -3.290 3.797 -4.111
145 HA HIS 24 HA HIS 24 -3.226 1.009 -4.210
146 HB2 HIS 24 1HB HIS 24 -0.938 1.153 -4.515
147 HB3 HIS 24 2HB HIS 24 -1.523 2.692 -5.120
148 HD1 HIS 24 1HD HIS 24 -0.830 4.876 -3.573
149 HD2 HIS 24 2HD HIS 24 0.726 1.145 -2.459
150 HE1 HIS 24 1HE HIS 24 1.026 5.343 -1.867
151 H LEU 25 H LEU 25 -2.543 3.036 -1.372
152 HA LEU 25 HA LEU 25 -1.415 1.012 0.249
153 HB2 LEU 25 1HB LEU 25 -1.159 3.415 0.642
154 HB3 LEU 25 2HB LEU 25 -2.887 3.581 0.971
155 HG LEU 25 HG LEU 25 -2.668 2.195 2.999
156 HD11 LEU 25 1HD1 LEU 25 -0.413 1.603 3.843
157 HD12 LEU 25 2HD1 LEU 25 0.292 2.095 2.281
158 HD13 LEU 25 3HD1 LEU 25 -0.810 0.707 2.377
159 HD21 LEU 25 3HD2 LEU 25 -2.336 4.636 3.144
160 HD22 LEU 25 1HD2 LEU 25 -0.592 4.409 2.876
161 HD23 LEU 25 2HD2 LEU 25 -1.360 3.766 4.341
162 H LYS 26 H LYS 26 -4.824 1.980 -0.151
163 HA LYS 26 HA LYS 26 -5.906 0.372 1.979
164 HB2 LYS 26 1HB LYS 26 -7.087 2.261 0.861
165 HB3 LYS 26 2HB LYS 26 -7.233 1.292 -0.614
166 HG2 LYS 26 1HG LYS 26 -8.588 -0.385 0.614
167 HG3 LYS 26 2HG LYS 26 -8.386 0.542 2.115
168 HD2 LYS 26 1HD LYS 26 -9.570 2.467 1.081
169 HD3 LYS 26 2HD LYS 26 -9.767 1.536 -0.422
170 HE2 LYS 26 1HE LYS 26 -11.057 -0.188 0.820
171 HE3 LYS 26 2HE LYS 26 -10.855 0.729 2.317
172 HZ1 LYS 26 3HZ LYS 26 -13.002 1.188 1.284
173 HZ2 LYS 26 1HZ LYS 26 -12.298 1.705 -0.093
174 HZ3 LYS 26 2HZ LYS 26 -12.110 2.552 1.293
175 H VAL 27 H VAL 27 -5.491 -0.305 -1.513
176 HA VAL 27 HA VAL 27 -6.446 -3.023 -1.363
177 HB VAL 27 HB VAL 27 -4.539 -1.828 -3.413
178 HG11 VAL 27 1HG1 VAL 27 -6.348 -4.295 -3.500
179 HG12 VAL 27 2HG1 VAL 27 -5.466 -3.622 -4.890
180 HG13 VAL 27 3HG1 VAL 27 -4.573 -4.291 -3.525
181 HG21 VAL 27 3HG2 VAL 27 -7.585 -2.029 -3.414
182 HG22 VAL 27 1HG2 VAL 27 -6.634 -0.530 -3.341
183 HG23 VAL 27 2HG2 VAL 27 -6.586 -1.526 -4.795
184 H HIS 28 H HIS 28 -3.116 -1.652 -1.121
185 HA HIS 28 HA HIS 28 -1.739 -4.109 -0.923
186 HB2 HIS 28 1HB HIS 28 -0.662 -1.955 -1.282
187 HB3 HIS 28 2HB HIS 28 -1.140 -1.399 0.321
188 HD1 HIS 28 1HD HIS 28 1.188 -4.066 -1.253
189 HD2 HIS 28 2HD HIS 28 0.513 -1.878 2.267
190 HE1 HIS 28 1HE HIS 28 3.156 -4.581 0.262
191 H ILE 29 H ILE 29 -3.131 -2.147 1.790
192 HA ILE 29 HA ILE 29 -2.390 -4.039 3.831
193 HB ILE 29 HB ILE 29 -4.519 -1.876 3.735
194 HG12 ILE 29 1HG1 ILE 29 -1.822 -1.992 5.177
195 HG13 ILE 29 2HG1 ILE 29 -2.047 -1.236 3.609
196 HG21 ILE 29 1HG2 ILE 29 -5.208 -3.558 5.418
197 HG22 ILE 29 2HG2 ILE 29 -3.584 -3.516 6.143
198 HG23 ILE 29 3HG2 ILE 29 -4.656 -2.101 6.214
199 HD11 ILE 29 3HD1 ILE 29 -3.693 0.353 4.602
200 HD12 ILE 29 1HD1 ILE 29 -3.325 -0.319 6.211
201 HD13 ILE 29 2HD1 ILE 29 -2.057 0.484 5.280
202 H GLU 30 H GLU 30 -5.371 -3.724 1.869
203 HA GLU 30 HA GLU 30 -6.702 -5.924 3.167
204 HB2 GLU 30 1HB GLU 30 -7.602 -3.801 1.873
205 HB3 GLU 30 2HB GLU 30 -7.491 -4.848 0.465
206 HG2 GLU 30 1HG GLU 30 -9.713 -5.011 1.210
207 HG3 GLU 30 2HG GLU 30 -8.990 -6.494 1.802
208 H ARG 31 H ARG 31 -4.130 -6.151 1.061
209 HA ARG 31 HA ARG 31 -4.978 -8.893 0.133
210 HB2 ARG 31 1HB ARG 31 -3.422 -6.796 -1.439
211 HB3 ARG 31 2HB ARG 31 -3.685 -8.452 -1.964
212 HG2 ARG 31 1HG ARG 31 -5.931 -6.439 -1.483
213 HG3 ARG 31 2HG ARG 31 -5.205 -6.801 -3.047
214 HD2 ARG 31 1HD ARG 31 -5.938 -9.118 -2.913
215 HD3 ARG 31 2HD ARG 31 -6.594 -8.872 -1.294
216 HE ARG 31 HE ARG 31 -7.733 -7.951 -3.856
217 HH11 ARG 31 2HH1 ARG 31 -8.041 -7.742 -0.342
218 HH12 ARG 31 1HH1 ARG 31 -9.713 -7.261 -0.462
219 HH21 ARG 31 2HH2 ARG 31 -9.840 -7.284 -3.888
220 HH22 ARG 31 1HH2 ARG 31 -10.685 -6.974 -2.402
221 H VAL 32 H VAL 32 -2.187 -6.874 1.025
222 HA VAL 32 HA VAL 32 -0.437 -9.273 1.065
223 HB VAL 32 HB VAL 32 0.228 -6.336 1.478
224 HG11 VAL 32 1HG1 VAL 32 2.029 -8.758 1.051
225 HG12 VAL 32 2HG1 VAL 32 2.566 -7.064 1.035
226 HG13 VAL 32 3HG1 VAL 32 1.927 -7.762 2.523
227 HG21 VAL 32 3HG2 VAL 32 0.489 -8.155 -0.962
228 HG22 VAL 32 1HG2 VAL 32 -0.539 -6.710 -0.818
229 HG23 VAL 32 2HG2 VAL 32 1.218 -6.545 -0.825
230 H HIS 33 H HIS 33 -1.762 -6.860 3.340
231 HA HIS 33 HA HIS 33 -0.503 -8.335 5.602
232 HB2 HIS 33 1HB HIS 33 -1.602 -5.520 5.483
233 HB3 HIS 33 2HB HIS 33 -0.849 -6.277 6.885
234 HD1 HIS 33 1HD HIS 33 1.802 -7.334 6.143
235 HD2 HIS 33 2HD HIS 33 0.085 -4.088 4.104
236 HE1 HIS 33 1HE HIS 33 3.721 -6.179 4.954
237 H LYS 34 H LYS 34 -3.372 -8.560 4.101
238 HA LYS 34 HA LYS 34 -5.135 -8.838 6.421
239 HB2 LYS 34 1HB LYS 34 -5.808 -8.087 4.089
240 HB3 LYS 34 2HB LYS 34 -5.630 -9.764 3.566
241 HG2 LYS 34 1HG LYS 34 -7.348 -10.412 5.318
242 HG3 LYS 34 2HG LYS 34 -7.508 -8.696 5.730
243 HD2 LYS 34 1HD LYS 34 -8.187 -8.220 3.382
244 HD3 LYS 34 2HD LYS 34 -8.095 -9.940 2.996
245 HE2 LYS 34 1HE LYS 34 -9.917 -8.690 5.109
246 HE3 LYS 34 2HE LYS 34 -10.411 -9.067 3.458
247 HZ1 LYS 34 3HZ LYS 34 -9.930 -11.415 3.910
248 HZ2 LYS 34 1HZ LYS 34 -11.043 -10.847 4.957
249 HZ3 LYS 34 2HZ LYS 34 -9.509 -11.074 5.453
250 H LYS 35 H LYS 35 -3.147 -10.219 7.221
251 HA LYS 35 HA LYS 35 -3.153 -13.039 6.398
252 HB2 LYS 35 1HB LYS 35 -1.301 -13.318 7.883
253 HB3 LYS 35 2HB LYS 35 -1.053 -11.854 6.939
254 HG2 LYS 35 1HG LYS 35 -1.759 -10.460 8.856
255 HG3 LYS 35 2HG LYS 35 -2.082 -11.900 9.824
256 HD2 LYS 35 1HD LYS 35 0.651 -11.141 8.712
257 HD3 LYS 35 2HD LYS 35 0.081 -10.793 10.352
258 HE2 LYS 35 1HE LYS 35 -0.242 -13.241 10.751
259 HE3 LYS 35 2HE LYS 35 0.401 -13.579 9.141
260 HZ1 LYS 35 3HZ LYS 35 2.125 -13.777 10.832
261 HZ2 LYS 35 1HZ LYS 35 1.911 -12.236 11.321
262 HZ3 LYS 35 2HZ LYS 35 2.501 -12.546 9.829
263 H ILE 36 H ILE 36 -3.233 -14.795 7.924
264 HA ILE 36 HA ILE 36 -5.407 -14.564 9.949
265 HB ILE 36 HB ILE 36 -4.042 -17.006 8.757
266 HG12 ILE 36 1HG1 ILE 36 -6.858 -15.882 8.354
267 HG13 ILE 36 2HG1 ILE 36 -5.547 -15.781 7.181
268 HG21 ILE 36 1HG2 ILE 36 -5.761 -18.323 9.966
269 HG22 ILE 36 2HG2 ILE 36 -4.760 -17.437 11.094
270 HG23 ILE 36 3HG2 ILE 36 -6.392 -16.838 10.707
271 HD11 ILE 36 3HD1 ILE 36 -5.487 -18.288 7.071
272 HD12 ILE 36 1HD1 ILE 36 -6.964 -18.313 8.068
273 HD13 ILE 36 2HD1 ILE 36 -6.983 -17.540 6.480
274 H LYS 37 H LYS 37 -5.014 -14.780 12.099
275 HA LYS 37 HA LYS 37 -2.430 -15.651 13.169
276 HB2 LYS 37 1HB LYS 37 -2.014 -13.632 14.459
277 HB3 LYS 37 2HB LYS 37 -1.970 -13.294 12.731
278 HG2 LYS 37 1HG LYS 37 -4.261 -12.318 12.858
279 HG3 LYS 37 2HG LYS 37 -4.301 -12.663 14.600
280 HD2 LYS 37 1HD LYS 37 -2.326 -11.196 14.934
281 HD3 LYS 37 2HD LYS 37 -2.305 -10.835 13.192
282 HE2 LYS 37 1HE LYS 37 -4.591 -9.888 13.358
283 HE3 LYS 37 2HE LYS 37 -4.636 -10.272 15.083
284 HZ1 LYS 37 3HZ LYS 37 -4.020 -7.956 14.714
285 HZ2 LYS 37 1HZ LYS 37 -2.727 -8.379 13.814
286 HZ3 LYS 37 2HZ LYS 37 -2.769 -8.739 15.409
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 4.219 23.781 -6.131
2 H2 GLY 1 2H GLY 1 3.692 25.329 -6.205
3 H3 GLY 1 3H GLY 1 5.202 25.006 -5.658
4 HA2 GLY 1 1HA GLY 1 5.302 25.873 -7.903
5 HA3 GLY 1 2HA GLY 1 5.902 24.208 -7.807
6 H SER 2 H SER 2 4.627 25.797 -10.044
7 HA SER 2 HA SER 2 1.970 25.078 -10.515
8 HB2 SER 2 1HB SER 2 4.118 25.617 -12.594
9 HB3 SER 2 2HB SER 2 2.367 25.799 -12.805
10 HG SER 2 HG SER 2 3.393 27.801 -12.328
11 H SER 3 H SER 3 4.760 23.029 -10.999
12 HA SER 3 HA SER 3 3.512 21.174 -12.848
13 HB2 SER 3 1HB SER 3 5.953 20.796 -11.080
14 HB3 SER 3 2HB SER 3 5.498 19.816 -12.486
15 HG SER 3 HG SER 3 7.065 21.406 -13.019
16 H GLY 4 H GLY 4 2.863 21.649 -9.566
17 HA2 GLY 4 1HA GLY 4 2.656 18.975 -8.563
18 HA3 GLY 4 2HA GLY 4 1.831 20.396 -7.929
19 H SER 5 H SER 5 0.728 17.805 -7.992
20 HA SER 5 HA SER 5 -1.687 18.163 -9.683
21 HB2 SER 5 1HB SER 5 -1.567 15.833 -10.450
22 HB3 SER 5 2HB SER 5 -0.189 16.786 -11.018
23 HG SER 5 HG SER 5 0.470 14.745 -10.219
24 H SER 6 H SER 6 -3.435 16.661 -9.137
25 HA SER 6 HA SER 6 -4.004 16.731 -6.334
26 HB2 SER 6 1HB SER 6 -5.523 15.362 -8.587
27 HB3 SER 6 2HB SER 6 -6.160 15.764 -6.980
28 HG SER 6 HG SER 6 -6.714 17.348 -8.551
29 H GLY 7 H GLY 7 -4.809 14.983 -5.008
30 HA2 GLY 7 1HA GLY 7 -4.827 12.840 -4.090
31 HA3 GLY 7 2HA GLY 7 -4.057 12.199 -5.535
32 H GLU 8 H GLU 8 -2.998 10.975 -3.650
33 HA GLU 8 HA GLU 8 -0.358 12.172 -3.142
34 HB2 GLU 8 1HB GLU 8 -0.334 11.818 -0.796
35 HB3 GLU 8 2HB GLU 8 -1.731 12.818 -1.183
36 HG2 GLU 8 1HG GLU 8 -3.153 10.702 -1.070
37 HG3 GLU 8 2HG GLU 8 -1.728 9.859 -0.454
38 H LYS 9 H LYS 9 1.231 10.688 -2.371
39 HA LYS 9 HA LYS 9 0.845 7.863 -3.308
40 HB2 LYS 9 1HB LYS 9 3.098 9.812 -3.983
41 HB3 LYS 9 2HB LYS 9 3.129 8.085 -4.303
42 HG2 LYS 9 1HG LYS 9 2.292 8.650 -6.312
43 HG3 LYS 9 2HG LYS 9 0.748 8.648 -5.456
44 HD2 LYS 9 1HD LYS 9 1.216 11.191 -5.047
45 HD3 LYS 9 2HD LYS 9 2.467 11.021 -6.273
46 HE2 LYS 9 1HE LYS 9 -0.522 10.472 -6.593
47 HE3 LYS 9 2HE LYS 9 0.358 11.869 -7.219
48 HZ1 LYS 9 3HZ LYS 9 1.654 10.282 -8.610
49 HZ2 LYS 9 1HZ LYS 9 0.060 10.267 -8.967
50 HZ3 LYS 9 2HZ LYS 9 0.694 9.048 -8.090
51 H PHE 10 H PHE 10 0.436 7.683 -0.989
52 HA PHE 10 HA PHE 10 2.612 8.158 0.866
53 HB2 PHE 10 1HB PHE 10 0.128 8.576 1.230
54 HB3 PHE 10 2HB PHE 10 -0.053 6.841 1.443
55 HD1 PHE 10 1HD PHE 10 2.028 9.748 2.662
56 HD2 PHE 10 2HD PHE 10 0.120 6.014 3.673
57 HE1 PHE 10 1HE PHE 10 2.696 10.046 5.036
58 HE2 PHE 10 2HE PHE 10 0.786 6.317 6.042
59 HZ PHE 10 HZ PHE 10 2.077 8.331 6.728
60 H ALA 11 H ALA 11 3.279 6.586 2.518
61 HA ALA 11 HA ALA 11 4.086 4.030 1.255
62 HB1 ALA 11 1HB ALA 11 5.855 4.018 2.939
63 HB2 ALA 11 2HB ALA 11 5.858 5.537 2.025
64 HB3 ALA 11 3HB ALA 11 5.189 5.493 3.675
65 H CYS 12 H CYS 12 4.158 2.083 2.471
66 HA CYS 12 HA CYS 12 1.749 1.446 3.905
67 HB2 CYS 12 1HB CYS 12 2.863 -0.029 2.340
68 HB3 CYS 12 2HB CYS 12 4.311 -0.071 3.351
69 H ASP 13 H ASP 13 1.438 0.787 5.967
70 HA ASP 13 HA ASP 13 3.107 2.047 8.064
71 HB2 ASP 13 1HB ASP 13 0.400 0.660 8.097
72 HB3 ASP 13 2HB ASP 13 1.210 1.245 9.545
73 H TYR 14 H TYR 14 2.933 -0.996 6.555
74 HA TYR 14 HA TYR 14 3.920 -2.463 8.980
75 HB2 TYR 14 1HB TYR 14 2.458 -3.556 6.578
76 HB3 TYR 14 2HB TYR 14 2.834 -4.412 8.059
77 HD1 TYR 14 2HD TYR 14 1.610 -3.811 10.195
78 HD2 TYR 14 1HD TYR 14 0.510 -2.167 6.360
79 HE1 TYR 14 2HE TYR 14 -0.625 -3.168 11.102
80 HE2 TYR 14 1HE TYR 14 -1.715 -1.530 7.266
81 HH TYR 14 HH TYR 14 -3.091 -1.509 9.098
82 H CYS 15 H CYS 15 4.755 -1.627 5.690
83 HA CYS 15 HA CYS 15 7.346 -2.969 5.931
84 HB2 CYS 15 1HB CYS 15 7.196 -4.290 3.962
85 HB3 CYS 15 2HB CYS 15 5.842 -4.723 4.993
86 H SER 16 H SER 16 8.462 -2.615 3.581
87 HA SER 16 HA SER 16 8.658 0.297 3.386
88 HB2 SER 16 1HB SER 16 10.801 -0.172 2.198
89 HB3 SER 16 2HB SER 16 10.697 -0.916 3.798
90 HG SER 16 HG SER 16 11.491 -2.376 2.195
91 H PHE 17 H PHE 17 6.440 -1.069 2.101
92 HA PHE 17 HA PHE 17 6.721 -0.591 -0.789
93 HB2 PHE 17 1HB PHE 17 5.255 -2.355 -0.042
94 HB3 PHE 17 2HB PHE 17 4.353 -1.243 0.978
95 HD1 PHE 17 2HD PHE 17 5.027 -2.218 -2.554
96 HD2 PHE 17 1HD PHE 17 2.584 0.149 0.097
97 HE1 PHE 17 2HE PHE 17 3.426 -1.787 -4.404
98 HE2 PHE 17 1HE PHE 17 0.981 0.559 -1.747
99 HZ PHE 17 HZ PHE 17 1.402 -0.399 -4.006
100 H THR 18 H THR 18 5.866 1.058 -1.986
101 HA THR 18 HA THR 18 4.349 3.250 -0.709
102 HB THR 18 HB THR 18 6.575 3.876 -2.664
103 HG1 THR 18 1HG THR 18 7.500 3.167 -0.725
104 HG21 THR 18 3HG2 THR 18 6.302 6.183 -1.813
105 HG22 THR 18 1HG2 THR 18 4.963 5.645 -0.782
106 HG23 THR 18 2HG2 THR 18 4.815 5.591 -2.554
107 H CYS 19 H CYS 19 2.838 4.162 -2.077
108 HA CYS 19 HA CYS 19 2.178 2.471 -4.425
109 HB2 CYS 19 1HB CYS 19 -0.095 3.248 -4.087
110 HB3 CYS 19 2HB CYS 19 0.566 2.657 -2.562
111 HG CYS 19 HG CYS 19 1.115 4.950 -1.499
112 H LEU 20 H LEU 20 1.292 3.362 -6.384
113 HA LEU 20 HA LEU 20 2.420 5.943 -7.213
114 HB2 LEU 20 1HB LEU 20 1.892 5.392 -9.368
115 HB3 LEU 20 2HB LEU 20 2.334 3.852 -8.659
116 HG LEU 20 HG LEU 20 -0.502 4.833 -9.257
117 HD11 LEU 20 1HD1 LEU 20 1.198 2.680 -10.576
118 HD12 LEU 20 2HD1 LEU 20 0.839 4.285 -11.254
119 HD13 LEU 20 3HD1 LEU 20 -0.470 3.120 -11.009
120 HD21 LEU 20 3HD2 LEU 20 -1.208 2.501 -8.821
121 HD22 LEU 20 1HD2 LEU 20 -0.617 3.277 -7.360
122 HD23 LEU 20 2HD2 LEU 20 0.422 2.113 -8.227
123 H SER 21 H SER 21 -0.477 4.923 -5.787
124 HA SER 21 HA SER 21 -1.508 7.573 -5.464
125 HB2 SER 21 1HB SER 21 -2.467 7.148 -7.709
126 HB3 SER 21 2HB SER 21 -3.152 5.615 -7.135
127 HG SER 21 HG SER 21 -4.651 7.406 -7.100
128 H LYS 22 H LYS 22 -2.820 7.567 -3.617
129 HA LYS 22 HA LYS 22 -2.544 5.556 -1.727
130 HB2 LYS 22 1HB LYS 22 -3.107 7.939 -1.338
131 HB3 LYS 22 2HB LYS 22 -4.767 7.631 -1.870
132 HG2 LYS 22 1HG LYS 22 -5.135 6.121 0.036
133 HG3 LYS 22 2HG LYS 22 -3.424 6.205 0.472
134 HD2 LYS 22 1HD LYS 22 -4.727 7.586 1.978
135 HD3 LYS 22 2HD LYS 22 -3.659 8.602 1.005
136 HE2 LYS 22 1HE LYS 22 -5.584 9.140 -0.505
137 HE3 LYS 22 2HE LYS 22 -6.639 8.136 0.499
138 HZ1 LYS 22 3HZ LYS 22 -6.153 9.658 2.363
139 HZ2 LYS 22 1HZ LYS 22 -6.796 10.485 1.108
140 HZ3 LYS 22 2HZ LYS 22 -5.190 10.575 1.402
141 H GLY 23 H GLY 23 -5.092 5.626 -4.157
142 HA2 GLY 23 1HA GLY 23 -6.888 3.699 -3.045
143 HA3 GLY 23 2HA GLY 23 -6.600 3.979 -4.769
144 H HIS 24 H HIS 24 -3.752 3.232 -4.738
145 HA HIS 24 HA HIS 24 -4.026 0.315 -4.787
146 HB2 HIS 24 1HB HIS 24 -2.807 1.740 -6.492
147 HB3 HIS 24 2HB HIS 24 -1.538 1.968 -5.295
148 HD1 HIS 24 1HD HIS 24 -1.398 -1.124 -4.283
149 HD2 HIS 24 2HD HIS 24 -1.613 0.238 -8.255
150 HE1 HIS 24 1HE HIS 24 -0.371 -2.965 -5.728
151 H LEU 25 H LEU 25 -2.717 2.704 -2.498
152 HA LEU 25 HA LEU 25 -1.244 0.776 -0.921
153 HB2 LEU 25 1HB LEU 25 -0.801 3.163 -0.721
154 HB3 LEU 25 2HB LEU 25 -2.450 3.468 -0.180
155 HG LEU 25 HG LEU 25 -2.044 2.191 1.885
156 HD11 LEU 25 1HD1 LEU 25 0.829 1.910 0.890
157 HD12 LEU 25 2HD1 LEU 25 -0.336 0.574 1.080
158 HD13 LEU 25 3HD1 LEU 25 0.201 1.460 2.493
159 HD21 LEU 25 3HD2 LEU 25 0.106 4.268 1.330
160 HD22 LEU 25 1HD2 LEU 25 -0.477 3.753 2.929
161 HD23 LEU 25 2HD2 LEU 25 -1.570 4.607 1.823
162 H LYS 26 H LYS 26 -4.644 1.912 -0.855
163 HA LYS 26 HA LYS 26 -5.481 0.307 1.384
164 HB2 LYS 26 1HB LYS 26 -7.026 1.275 -1.062
165 HB3 LYS 26 2HB LYS 26 -7.763 0.483 0.335
166 HG2 LYS 26 1HG LYS 26 -6.951 2.261 1.826
167 HG3 LYS 26 2HG LYS 26 -6.172 3.086 0.463
168 HD2 LYS 26 1HD LYS 26 -8.360 3.355 -0.650
169 HD3 LYS 26 2HD LYS 26 -9.174 2.547 0.694
170 HE2 LYS 26 1HE LYS 26 -7.536 5.115 0.941
171 HE3 LYS 26 2HE LYS 26 -9.284 5.075 0.704
172 HZ1 LYS 26 3HZ LYS 26 -8.761 5.292 3.048
173 HZ2 LYS 26 1HZ LYS 26 -7.871 3.925 3.053
174 HZ3 LYS 26 2HZ LYS 26 -9.486 3.854 2.805
175 H VAL 27 H VAL 27 -5.345 -0.502 -2.097
176 HA VAL 27 HA VAL 27 -6.237 -3.221 -1.823
177 HB VAL 27 HB VAL 27 -4.493 -1.909 -3.941
178 HG11 VAL 27 1HG1 VAL 27 -5.886 -4.618 -4.026
179 HG12 VAL 27 2HG1 VAL 27 -5.117 -3.805 -5.403
180 HG13 VAL 27 3HG1 VAL 27 -4.127 -4.345 -4.050
181 HG21 VAL 27 3HG2 VAL 27 -6.568 -1.902 -5.267
182 HG22 VAL 27 1HG2 VAL 27 -7.452 -2.669 -3.930
183 HG23 VAL 27 2HG2 VAL 27 -6.827 -1.022 -3.760
184 H HIS 28 H HIS 28 -2.905 -1.844 -1.705
185 HA HIS 28 HA HIS 28 -1.511 -4.292 -1.354
186 HB2 HIS 28 1HB HIS 28 -0.356 -2.226 -1.841
187 HB3 HIS 28 2HB HIS 28 -0.941 -1.474 -0.364
188 HD1 HIS 28 1HD HIS 28 1.563 -4.188 -1.451
189 HD2 HIS 28 2HD HIS 28 0.476 -1.800 1.831
190 HE1 HIS 28 1HE HIS 28 3.351 -4.571 0.306
191 H ILE 29 H ILE 29 -2.865 -2.111 1.191
192 HA ILE 29 HA ILE 29 -2.141 -3.808 3.385
193 HB ILE 29 HB ILE 29 -4.233 -1.632 3.091
194 HG12 ILE 29 1HG1 ILE 29 -1.539 -1.647 4.544
195 HG13 ILE 29 2HG1 ILE 29 -1.738 -1.079 2.894
196 HG21 ILE 29 1HG2 ILE 29 -4.962 -3.099 4.931
197 HG22 ILE 29 2HG2 ILE 29 -3.335 -3.056 5.644
198 HG23 ILE 29 3HG2 ILE 29 -4.346 -1.597 5.586
199 HD11 ILE 29 3HD1 ILE 29 -1.716 0.831 4.326
200 HD12 ILE 29 1HD1 ILE 29 -3.358 0.650 3.679
201 HD13 ILE 29 2HD1 ILE 29 -2.994 0.175 5.358
202 H GLU 30 H GLU 30 -5.177 -3.691 1.460
203 HA GLU 30 HA GLU 30 -6.419 -5.735 3.069
204 HB2 GLU 30 1HB GLU 30 -7.421 -3.799 1.586
205 HB3 GLU 30 2HB GLU 30 -7.423 -5.030 0.327
206 HG2 GLU 30 1HG GLU 30 -8.697 -6.509 2.068
207 HG3 GLU 30 2HG GLU 30 -8.832 -5.053 3.039
208 H ARG 31 H ARG 31 -3.942 -6.245 0.903
209 HA ARG 31 HA ARG 31 -4.788 -9.130 0.676
210 HB2 ARG 31 1HB ARG 31 -3.331 -7.482 -1.430
211 HB3 ARG 31 2HB ARG 31 -3.308 -9.240 -1.371
212 HG2 ARG 31 1HG ARG 31 -5.012 -8.926 -2.836
213 HG3 ARG 31 2HG ARG 31 -5.919 -9.100 -1.335
214 HD2 ARG 31 1HD ARG 31 -5.972 -6.537 -1.233
215 HD3 ARG 31 2HD ARG 31 -5.197 -6.536 -2.808
216 HE ARG 31 HE ARG 31 -7.195 -7.209 -3.819
217 HH11 ARG 31 2HH1 ARG 31 -7.693 -7.492 -0.336
218 HH12 ARG 31 1HH1 ARG 31 -9.366 -6.991 -0.487
219 HH21 ARG 31 2HH2 ARG 31 -9.421 -6.934 -3.898
220 HH22 ARG 31 1HH2 ARG 31 -10.336 -6.987 -2.416
221 H VAL 32 H VAL 32 -1.952 -6.969 0.935
222 HA VAL 32 HA VAL 32 -0.198 -9.234 1.560
223 HB VAL 32 HB VAL 32 0.387 -6.254 1.635
224 HG11 VAL 32 1HG1 VAL 32 2.102 -7.601 2.807
225 HG12 VAL 32 2HG1 VAL 32 2.234 -8.676 1.402
226 HG13 VAL 32 3HG1 VAL 32 2.739 -6.976 1.286
227 HG21 VAL 32 3HG2 VAL 32 1.413 -6.664 -0.630
228 HG22 VAL 32 1HG2 VAL 32 0.700 -8.289 -0.623
229 HG23 VAL 32 2HG2 VAL 32 -0.340 -6.846 -0.631
230 H HIS 33 H HIS 33 -1.935 -6.773 3.386
231 HA HIS 33 HA HIS 33 -0.947 -7.945 5.952
232 HB2 HIS 33 1HB HIS 33 -1.649 -5.034 5.489
233 HB3 HIS 33 2HB HIS 33 -0.941 -5.750 6.935
234 HD1 HIS 33 1HD HIS 33 1.625 -7.062 6.192
235 HD2 HIS 33 2HD HIS 33 0.059 -3.859 3.974
236 HE1 HIS 33 1HE HIS 33 3.577 -6.121 4.869
237 H LYS 34 H LYS 34 -3.208 -8.771 4.429
238 HA LYS 34 HA LYS 34 -5.659 -7.603 4.906
239 HB2 LYS 34 1HB LYS 34 -5.003 -9.359 3.244
240 HB3 LYS 34 2HB LYS 34 -5.118 -10.578 4.518
241 HG2 LYS 34 1HG LYS 34 -7.526 -10.135 4.756
242 HG3 LYS 34 2HG LYS 34 -7.413 -8.772 3.626
243 HD2 LYS 34 1HD LYS 34 -6.697 -10.382 1.833
244 HD3 LYS 34 2HD LYS 34 -6.903 -11.715 2.989
245 HE2 LYS 34 1HE LYS 34 -9.297 -11.065 3.275
246 HE3 LYS 34 2HE LYS 34 -9.075 -9.761 2.101
247 HZ1 LYS 34 3HZ LYS 34 -10.020 -11.741 1.058
248 HZ2 LYS 34 1HZ LYS 34 -8.750 -12.658 1.511
249 HZ3 LYS 34 2HZ LYS 34 -8.544 -11.454 0.424
250 H LYS 35 H LYS 35 -3.952 -9.407 7.304
251 HA LYS 35 HA LYS 35 -6.075 -10.153 9.079
252 HB2 LYS 35 1HB LYS 35 -3.679 -10.822 9.264
253 HB3 LYS 35 2HB LYS 35 -3.258 -9.169 9.733
254 HG2 LYS 35 1HG LYS 35 -4.735 -9.376 11.734
255 HG3 LYS 35 2HG LYS 35 -5.136 -11.030 11.269
256 HD2 LYS 35 1HD LYS 35 -2.365 -9.964 11.978
257 HD3 LYS 35 2HD LYS 35 -3.399 -10.885 13.060
258 HE2 LYS 35 1HE LYS 35 -2.236 -11.930 10.434
259 HE3 LYS 35 2HE LYS 35 -1.551 -12.213 12.033
260 HZ1 LYS 35 3HZ LYS 35 -4.239 -13.137 11.164
261 HZ2 LYS 35 1HZ LYS 35 -3.607 -13.363 12.655
262 HZ3 LYS 35 2HZ LYS 35 -2.923 -14.078 11.360
263 H ILE 36 H ILE 36 -4.434 -7.056 8.599
264 HA ILE 36 HA ILE 36 -4.665 -4.980 9.394
265 HB ILE 36 HB ILE 36 -7.592 -5.580 8.932
266 HG12 ILE 36 1HG1 ILE 36 -5.416 -4.465 7.093
267 HG13 ILE 36 2HG1 ILE 36 -6.093 -6.084 7.001
268 HG21 ILE 36 1HG2 ILE 36 -7.812 -3.132 8.572
269 HG22 ILE 36 2HG2 ILE 36 -7.293 -3.460 10.207
270 HG23 ILE 36 3HG2 ILE 36 -6.104 -2.907 9.008
271 HD11 ILE 36 3HD1 ILE 36 -7.557 -3.511 6.374
272 HD12 ILE 36 1HD1 ILE 36 -7.101 -4.817 5.276
273 HD13 ILE 36 2HD1 ILE 36 -8.343 -5.106 6.509
274 H LYS 37 H LYS 37 -7.591 -6.090 11.118
275 HA LYS 37 HA LYS 37 -6.343 -5.593 13.759
276 HB2 LYS 37 1HB LYS 37 -8.830 -4.162 12.734
277 HB3 LYS 37 2HB LYS 37 -8.441 -4.340 14.448
278 HG2 LYS 37 1HG LYS 37 -6.306 -3.137 14.125
279 HG3 LYS 37 2HG LYS 37 -6.681 -2.918 12.405
280 HD2 LYS 37 1HD LYS 37 -8.727 -1.651 13.002
281 HD3 LYS 37 2HD LYS 37 -8.351 -1.861 14.727
282 HE2 LYS 37 1HE LYS 37 -6.196 -0.664 14.394
283 HE3 LYS 37 2HE LYS 37 -6.577 -0.451 12.679
284 HZ1 LYS 37 3HZ LYS 37 -8.164 0.672 14.929
285 HZ2 LYS 37 1HZ LYS 37 -8.516 0.871 13.345
286 HZ3 LYS 37 2HZ LYS 37 -7.158 1.524 13.968
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 22.569 18.008 -3.904
2 H2 GLY 1 2H GLY 1 21.526 17.330 -4.969
3 H3 GLY 1 3H GLY 1 21.071 17.561 -3.413
4 HA2 GLY 1 1HA GLY 1 21.192 19.955 -3.664
5 HA3 GLY 1 2HA GLY 1 21.661 19.699 -5.354
6 H SER 2 H SER 2 19.854 20.827 -6.155
7 HA SER 2 HA SER 2 17.140 20.324 -5.432
8 HB2 SER 2 1HB SER 2 18.236 21.452 -8.035
9 HB3 SER 2 2HB SER 2 16.587 21.644 -7.417
10 HG SER 2 HG SER 2 17.419 22.831 -5.668
11 H SER 3 H SER 3 15.438 19.341 -6.589
12 HA SER 3 HA SER 3 16.018 17.447 -8.779
13 HB2 SER 3 1HB SER 3 16.437 16.145 -6.721
14 HB3 SER 3 2HB SER 3 14.818 16.558 -6.124
15 HG SER 3 HG SER 3 15.041 14.471 -7.234
16 H GLY 4 H GLY 4 14.157 16.739 -9.889
17 HA2 GLY 4 1HA GLY 4 11.816 18.512 -9.860
18 HA3 GLY 4 2HA GLY 4 12.118 17.145 -10.935
19 H SER 5 H SER 5 12.644 15.539 -8.248
20 HA SER 5 HA SER 5 9.992 14.400 -8.050
21 HB2 SER 5 1HB SER 5 12.474 13.944 -6.356
22 HB3 SER 5 2HB SER 5 10.993 12.967 -6.304
23 HG SER 5 HG SER 5 12.606 12.061 -7.686
24 H SER 6 H SER 6 8.526 14.400 -6.381
25 HA SER 6 HA SER 6 8.681 16.647 -4.430
26 HB2 SER 6 1HB SER 6 6.209 16.568 -4.486
27 HB3 SER 6 2HB SER 6 6.948 16.950 -6.048
28 HG SER 6 HG SER 6 5.264 15.391 -6.235
29 H GLY 7 H GLY 7 7.643 16.424 -2.386
30 HA2 GLY 7 1HA GLY 7 8.153 13.868 -1.011
31 HA3 GLY 7 2HA GLY 7 7.682 15.403 -0.292
32 H GLU 8 H GLU 8 6.310 13.997 1.004
33 HA GLU 8 HA GLU 8 4.337 13.102 1.669
34 HB2 GLU 8 1HB GLU 8 3.179 15.033 -0.364
35 HB3 GLU 8 2HB GLU 8 2.316 14.285 0.986
36 HG2 GLU 8 1HG GLU 8 3.895 15.366 2.584
37 HG3 GLU 8 2HG GLU 8 4.676 16.195 1.236
38 H LYS 9 H LYS 9 5.608 11.427 -0.119
39 HA LYS 9 HA LYS 9 3.891 10.288 -2.104
40 HB2 LYS 9 1HB LYS 9 5.477 8.493 -2.212
41 HB3 LYS 9 2HB LYS 9 6.360 10.006 -2.023
42 HG2 LYS 9 1HG LYS 9 6.666 9.502 0.420
43 HG3 LYS 9 2HG LYS 9 5.777 7.983 0.193
44 HD2 LYS 9 1HD LYS 9 7.496 7.312 -1.517
45 HD3 LYS 9 2HD LYS 9 8.448 8.733 -1.067
46 HE2 LYS 9 1HE LYS 9 8.759 7.930 1.177
47 HE3 LYS 9 2HE LYS 9 7.500 6.703 0.996
48 HZ1 LYS 9 3HZ LYS 9 9.750 5.766 0.816
49 HZ2 LYS 9 1HZ LYS 9 10.050 6.656 -0.520
50 HZ3 LYS 9 2HZ LYS 9 8.880 5.497 -0.536
51 H PHE 10 H PHE 10 2.892 8.194 -2.153
52 HA PHE 10 HA PHE 10 1.394 7.499 0.289
53 HB2 PHE 10 1HB PHE 10 1.363 6.122 -2.413
54 HB3 PHE 10 2HB PHE 10 0.185 5.963 -1.124
55 HD1 PHE 10 1HD PHE 10 -1.145 8.110 -0.438
56 HD2 PHE 10 2HD PHE 10 1.077 7.740 -4.117
57 HE1 PHE 10 1HE PHE 10 -2.451 9.982 -1.422
58 HE2 PHE 10 2HE PHE 10 -0.240 9.598 -5.100
59 HZ PHE 10 HZ PHE 10 -2.008 10.722 -3.754
60 H ALA 11 H ALA 11 2.234 6.134 1.788
61 HA ALA 11 HA ALA 11 3.935 3.864 0.928
62 HB1 ALA 11 1HB ALA 11 4.711 5.872 3.079
63 HB2 ALA 11 2HB ALA 11 5.593 4.384 2.666
64 HB3 ALA 11 3HB ALA 11 5.474 5.698 1.481
65 H CYS 12 H CYS 12 4.050 2.133 2.304
66 HA CYS 12 HA CYS 12 1.655 1.482 3.744
67 HB2 CYS 12 1HB CYS 12 2.980 -0.007 2.326
68 HB3 CYS 12 2HB CYS 12 4.336 0.098 3.458
69 H ASP 13 H ASP 13 1.389 0.890 5.855
70 HA ASP 13 HA ASP 13 3.046 2.315 7.884
71 HB2 ASP 13 1HB ASP 13 0.576 2.754 7.696
72 HB3 ASP 13 2HB ASP 13 0.286 1.080 8.165
73 H TYR 14 H TYR 14 2.722 -0.771 6.569
74 HA TYR 14 HA TYR 14 3.471 -2.194 9.100
75 HB2 TYR 14 1HB TYR 14 2.061 -3.240 6.631
76 HB3 TYR 14 2HB TYR 14 2.416 -4.155 8.084
77 HD1 TYR 14 1HD TYR 14 1.124 -3.792 10.160
78 HD2 TYR 14 2HD TYR 14 0.248 -1.595 6.551
79 HE1 TYR 14 1HE TYR 14 -1.070 -3.084 11.117
80 HE2 TYR 14 2HE TYR 14 -1.923 -0.861 7.523
81 HH TYR 14 HH TYR 14 -3.323 -0.941 9.337
82 H CYS 15 H CYS 15 4.594 -1.452 5.889
83 HA CYS 15 HA CYS 15 7.135 -2.774 6.423
84 HB2 CYS 15 1HB CYS 15 7.220 -4.130 4.454
85 HB3 CYS 15 2HB CYS 15 5.793 -4.582 5.374
86 H SER 16 H SER 16 8.560 -2.407 4.271
87 HA SER 16 HA SER 16 8.674 0.501 4.012
88 HB2 SER 16 1HB SER 16 10.625 -1.593 2.993
89 HB3 SER 16 2HB SER 16 10.917 0.153 3.118
90 HG SER 16 HG SER 16 11.785 -1.002 4.905
91 H PHE 17 H PHE 17 6.552 -0.758 2.557
92 HA PHE 17 HA PHE 17 7.209 -0.643 -0.303
93 HB2 PHE 17 1HB PHE 17 5.687 -2.323 0.484
94 HB3 PHE 17 2HB PHE 17 4.653 -1.122 1.233
95 HD1 PHE 17 2HD PHE 17 5.844 -2.415 -2.064
96 HD2 PHE 17 1HD PHE 17 2.869 -0.088 0.020
97 HE1 PHE 17 2HE PHE 17 4.418 -2.403 -4.099
98 HE2 PHE 17 1HE PHE 17 1.432 -0.116 -1.999
99 HZ PHE 17 HZ PHE 17 2.208 -1.262 -4.067
100 H THR 18 H THR 18 6.827 0.921 -1.710
101 HA THR 18 HA THR 18 5.338 3.404 -0.930
102 HB THR 18 HB THR 18 7.518 3.116 -3.005
103 HG1 THR 18 1HG THR 18 8.265 3.094 -0.847
104 HG21 THR 18 3HG2 THR 18 7.494 5.593 -3.057
105 HG22 THR 18 1HG2 THR 18 6.016 5.575 -2.054
106 HG23 THR 18 2HG2 THR 18 6.018 4.886 -3.696
107 H CYS 19 H CYS 19 3.900 4.212 -2.430
108 HA CYS 19 HA CYS 19 2.997 2.362 -4.597
109 HB2 CYS 19 1HB CYS 19 1.842 2.177 -2.264
110 HB3 CYS 19 2HB CYS 19 1.082 3.721 -2.681
111 HG CYS 19 HG CYS 19 1.118 0.852 -4.375
112 H LEU 20 H LEU 20 1.502 3.288 -6.131
113 HA LEU 20 HA LEU 20 2.297 5.979 -6.966
114 HB2 LEU 20 1HB LEU 20 2.216 4.016 -8.484
115 HB3 LEU 20 2HB LEU 20 0.478 3.885 -8.224
116 HG LEU 20 HG LEU 20 0.130 6.073 -9.337
117 HD11 LEU 20 1HD1 LEU 20 2.010 7.116 -10.595
118 HD12 LEU 20 2HD1 LEU 20 3.148 6.003 -9.801
119 HD13 LEU 20 3HD1 LEU 20 2.256 7.214 -8.851
120 HD21 LEU 20 3HD2 LEU 20 0.099 3.989 -10.649
121 HD22 LEU 20 1HD2 LEU 20 1.844 4.147 -10.953
122 HD23 LEU 20 2HD2 LEU 20 0.706 5.349 -11.605
123 H SER 21 H SER 21 -0.496 4.571 -5.387
124 HA SER 21 HA SER 21 -1.833 7.188 -5.172
125 HB2 SER 21 1HB SER 21 -2.726 6.388 -7.291
126 HB3 SER 21 2HB SER 21 -3.105 4.809 -6.581
127 HG SER 21 HG SER 21 -4.897 6.353 -6.729
128 H LYS 22 H LYS 22 -3.256 7.303 -3.435
129 HA LYS 22 HA LYS 22 -3.146 5.463 -1.252
130 HB2 LYS 22 1HB LYS 22 -3.810 7.873 -1.149
131 HB3 LYS 22 2HB LYS 22 -5.338 7.470 -1.940
132 HG2 LYS 22 1HG LYS 22 -5.941 6.010 -0.024
133 HG3 LYS 22 2HG LYS 22 -4.367 6.344 0.728
134 HD2 LYS 22 1HD LYS 22 -4.963 8.761 0.886
135 HD3 LYS 22 2HD LYS 22 -6.495 8.431 0.070
136 HE2 LYS 22 1HE LYS 22 -6.989 8.607 2.388
137 HE3 LYS 22 2HE LYS 22 -7.150 6.907 1.947
138 HZ1 LYS 22 3HZ LYS 22 -5.932 7.205 4.037
139 HZ2 LYS 22 1HZ LYS 22 -4.786 8.104 3.305
140 HZ3 LYS 22 2HZ LYS 22 -4.949 6.517 2.935
141 H GLY 23 H GLY 23 -5.320 5.615 -4.050
142 HA2 GLY 23 1HA GLY 23 -7.257 3.672 -3.176
143 HA3 GLY 23 2HA GLY 23 -6.943 4.183 -4.838
144 H HIS 24 H HIS 24 -4.049 3.299 -4.615
145 HA HIS 24 HA HIS 24 -4.427 0.384 -5.050
146 HB2 HIS 24 1HB HIS 24 -3.315 1.780 -6.749
147 HB3 HIS 24 2HB HIS 24 -2.065 2.212 -5.597
148 HD1 HIS 24 1HD HIS 24 -2.106 -1.173 -4.699
149 HD2 HIS 24 2HD HIS 24 -1.243 0.842 -8.290
150 HE1 HIS 24 1HE HIS 24 -0.646 -2.755 -6.076
151 H LEU 25 H LEU 25 -2.657 2.645 -2.897
152 HA LEU 25 HA LEU 25 -1.306 0.720 -1.320
153 HB2 LEU 25 1HB LEU 25 -0.840 3.118 -1.289
154 HB3 LEU 25 2HB LEU 25 -2.450 3.457 -0.657
155 HG LEU 25 HG LEU 25 -1.927 2.401 1.467
156 HD11 LEU 25 1HD1 LEU 25 -0.394 0.625 0.801
157 HD12 LEU 25 2HD1 LEU 25 0.392 1.670 1.976
158 HD13 LEU 25 3HD1 LEU 25 0.812 1.819 0.255
159 HD21 LEU 25 3HD2 LEU 25 -1.335 4.786 1.073
160 HD22 LEU 25 1HD2 LEU 25 0.310 4.274 0.621
161 HD23 LEU 25 2HD2 LEU 25 -0.297 4.000 2.270
162 H LYS 26 H LYS 26 -4.656 1.927 -1.066
163 HA LYS 26 HA LYS 26 -5.529 0.550 1.233
164 HB2 LYS 26 1HB LYS 26 -6.875 2.197 0.058
165 HB3 LYS 26 2HB LYS 26 -6.863 1.249 -1.419
166 HG2 LYS 26 1HG LYS 26 -9.026 1.201 -0.387
167 HG3 LYS 26 2HG LYS 26 -8.349 -0.422 -0.446
168 HD2 LYS 26 1HD LYS 26 -7.928 -0.435 1.929
169 HD3 LYS 26 2HD LYS 26 -8.226 1.316 2.058
170 HE2 LYS 26 1HE LYS 26 -10.561 1.037 1.442
171 HE3 LYS 26 2HE LYS 26 -10.325 -0.683 1.107
172 HZ1 LYS 26 3HZ LYS 26 -9.909 0.467 3.810
173 HZ2 LYS 26 1HZ LYS 26 -10.027 -1.131 3.391
174 HZ3 LYS 26 2HZ LYS 26 -11.332 -0.171 3.317
175 H VAL 27 H VAL 27 -5.142 -0.753 -2.077
176 HA VAL 27 HA VAL 27 -6.185 -3.385 -1.426
177 HB VAL 27 HB VAL 27 -4.332 -2.626 -3.726
178 HG11 VAL 27 1HG1 VAL 27 -4.548 -5.075 -3.375
179 HG12 VAL 27 2HG1 VAL 27 -6.321 -4.912 -3.427
180 HG13 VAL 27 3HG1 VAL 27 -5.341 -4.557 -4.862
181 HG21 VAL 27 3HG2 VAL 27 -7.382 -2.626 -3.603
182 HG22 VAL 27 1HG2 VAL 27 -6.342 -1.206 -3.822
183 HG23 VAL 27 2HG2 VAL 27 -6.410 -2.436 -5.079
184 H HIS 28 H HIS 28 -2.874 -1.988 -1.499
185 HA HIS 28 HA HIS 28 -1.498 -4.408 -0.825
186 HB2 HIS 28 1HB HIS 28 -0.363 -2.444 -1.702
187 HB3 HIS 28 2HB HIS 28 -0.821 -1.493 -0.293
188 HD1 HIS 28 1HD HIS 28 1.626 -4.269 -1.299
189 HD2 HIS 28 2HD HIS 28 0.632 -1.745 1.907
190 HE1 HIS 28 1HE HIS 28 3.490 -4.547 0.397
191 H ILE 29 H ILE 29 -2.896 -1.865 1.312
192 HA ILE 29 HA ILE 29 -2.111 -3.206 3.753
193 HB ILE 29 HB ILE 29 -4.020 -0.933 3.146
194 HG12 ILE 29 1HG1 ILE 29 -1.261 -1.024 4.471
195 HG13 ILE 29 2HG1 ILE 29 -1.538 -0.614 2.784
196 HG21 ILE 29 1HG2 ILE 29 -3.207 -2.052 5.866
197 HG22 ILE 29 2HG2 ILE 29 -4.004 -0.476 5.625
198 HG23 ILE 29 3HG2 ILE 29 -4.852 -1.946 5.197
199 HD11 ILE 29 3HD1 ILE 29 -1.221 1.427 3.957
200 HD12 ILE 29 1HD1 ILE 29 -2.938 1.340 3.516
201 HD13 ILE 29 2HD1 ILE 29 -2.416 1.014 5.189
202 H GLU 30 H GLU 30 -4.980 -3.545 1.713
203 HA GLU 30 HA GLU 30 -6.329 -5.127 3.816
204 HB2 GLU 30 1HB GLU 30 -7.357 -3.202 2.566
205 HB3 GLU 30 2HB GLU 30 -7.424 -4.235 1.135
206 HG2 GLU 30 1HG GLU 30 -8.984 -5.722 2.173
207 HG3 GLU 30 2HG GLU 30 -8.631 -5.102 3.789
208 H ARG 31 H ARG 31 -4.682 -5.862 0.778
209 HA ARG 31 HA ARG 31 -5.758 -8.676 0.852
210 HB2 ARG 31 1HB ARG 31 -4.692 -7.127 -1.543
211 HB3 ARG 31 2HB ARG 31 -5.381 -8.736 -1.560
212 HG2 ARG 31 1HG ARG 31 -6.944 -6.190 -0.912
213 HG3 ARG 31 2HG ARG 31 -6.845 -6.976 -2.481
214 HD2 ARG 31 1HD ARG 31 -8.894 -7.637 -1.587
215 HD3 ARG 31 2HD ARG 31 -7.829 -9.054 -1.488
216 HE ARG 31 HE ARG 31 -7.581 -7.784 0.981
217 HH11 ARG 31 2HH1 ARG 31 -10.326 -9.186 -0.696
218 HH12 ARG 31 1HH1 ARG 31 -11.157 -9.515 0.800
219 HH21 ARG 31 2HH2 ARG 31 -8.619 -8.207 2.759
220 HH22 ARG 31 1HH2 ARG 31 -10.210 -8.951 2.747
221 H VAL 32 H VAL 32 -2.818 -6.747 0.164
222 HA VAL 32 HA VAL 32 -1.149 -9.137 0.053
223 HB VAL 32 HB VAL 32 -0.330 -6.231 0.335
224 HG11 VAL 32 1HG1 VAL 32 1.889 -7.020 -0.430
225 HG12 VAL 32 2HG1 VAL 32 1.465 -7.683 1.150
226 HG13 VAL 32 3HG1 VAL 32 1.325 -8.701 -0.303
227 HG21 VAL 32 3HG2 VAL 32 -0.409 -8.071 -2.089
228 HG22 VAL 32 1HG2 VAL 32 -1.491 -6.692 -1.798
229 HG23 VAL 32 2HG2 VAL 32 0.235 -6.415 -2.058
230 H HIS 33 H HIS 33 -1.620 -6.558 2.508
231 HA HIS 33 HA HIS 33 -0.539 -8.245 4.656
232 HB2 HIS 33 1HB HIS 33 -1.738 -5.456 4.595
233 HB3 HIS 33 2HB HIS 33 -1.288 -6.287 6.078
234 HD1 HIS 33 1HD HIS 33 1.493 -7.060 6.084
235 HD2 HIS 33 2HD HIS 33 0.121 -4.047 3.500
236 HE1 HIS 33 1HE HIS 33 3.564 -5.790 5.349
237 H LYS 34 H LYS 34 -1.715 -9.570 5.619
238 HA LYS 34 HA LYS 34 -4.556 -10.014 5.102
239 HB2 LYS 34 1HB LYS 34 -2.666 -11.526 6.947
240 HB3 LYS 34 2HB LYS 34 -4.258 -12.072 6.418
241 HG2 LYS 34 1HG LYS 34 -1.851 -11.611 4.598
242 HG3 LYS 34 2HG LYS 34 -2.420 -13.166 5.190
243 HD2 LYS 34 1HD LYS 34 -4.540 -12.920 3.995
244 HD3 LYS 34 2HD LYS 34 -4.080 -11.322 3.396
245 HE2 LYS 34 1HE LYS 34 -2.420 -13.812 2.845
246 HE3 LYS 34 2HE LYS 34 -3.776 -13.333 1.819
247 HZ1 LYS 34 3HZ LYS 34 -1.429 -11.583 2.351
248 HZ2 LYS 34 1HZ LYS 34 -2.689 -11.237 1.373
249 HZ3 LYS 34 2HZ LYS 34 -1.666 -12.454 0.987
250 H LYS 35 H LYS 35 -4.617 -7.669 6.071
251 HA LYS 35 HA LYS 35 -5.110 -7.465 8.951
252 HB2 LYS 35 1HB LYS 35 -4.078 -5.693 7.426
253 HB3 LYS 35 2HB LYS 35 -5.677 -5.481 6.725
254 HG2 LYS 35 1HG LYS 35 -6.371 -5.106 9.312
255 HG3 LYS 35 2HG LYS 35 -4.653 -4.837 9.512
256 HD2 LYS 35 1HD LYS 35 -5.859 -2.725 9.201
257 HD3 LYS 35 2HD LYS 35 -4.705 -2.991 7.898
258 HE2 LYS 35 1HE LYS 35 -6.857 -2.048 7.105
259 HE3 LYS 35 2HE LYS 35 -6.456 -3.583 6.338
260 HZ1 LYS 35 3HZ LYS 35 -8.364 -3.295 8.601
261 HZ2 LYS 35 1HZ LYS 35 -8.035 -4.694 7.805
262 HZ3 LYS 35 2HZ LYS 35 -8.797 -3.470 7.038
263 H ILE 36 H ILE 36 -6.647 -9.428 8.355
264 HA ILE 36 HA ILE 36 -9.452 -8.458 7.945
265 HB ILE 36 HB ILE 36 -9.923 -10.535 6.769
266 HG12 ILE 36 1HG1 ILE 36 -6.936 -11.149 6.946
267 HG13 ILE 36 2HG1 ILE 36 -8.198 -11.980 7.851
268 HG21 ILE 36 1HG2 ILE 36 -7.536 -9.121 5.510
269 HG22 ILE 36 2HG2 ILE 36 -8.869 -9.954 4.689
270 HG23 ILE 36 3HG2 ILE 36 -9.183 -8.459 5.578
271 HD11 ILE 36 3HD1 ILE 36 -7.587 -13.339 5.969
272 HD12 ILE 36 1HD1 ILE 36 -9.224 -12.718 5.688
273 HD13 ILE 36 2HD1 ILE 36 -7.831 -12.006 4.833
274 H LYS 37 H LYS 37 -7.659 -9.439 10.404
275 HA LYS 37 HA LYS 37 -9.912 -10.760 11.840
276 HB2 LYS 37 1HB LYS 37 -6.993 -11.633 11.915
277 HB3 LYS 37 2HB LYS 37 -8.232 -12.147 13.065
278 HG2 LYS 37 1HG LYS 37 -9.556 -13.137 11.196
279 HG3 LYS 37 2HG LYS 37 -8.260 -12.695 10.067
280 HD2 LYS 37 1HD LYS 37 -6.661 -14.101 11.338
281 HD3 LYS 37 2HD LYS 37 -7.963 -14.558 12.461
282 HE2 LYS 37 1HE LYS 37 -9.252 -15.521 10.561
283 HE3 LYS 37 2HE LYS 37 -7.949 -15.076 9.451
284 HZ1 LYS 37 3HZ LYS 37 -7.767 -17.396 10.143
285 HZ2 LYS 37 1HZ LYS 37 -7.679 -16.980 11.718
286 HZ3 LYS 37 2HZ LYS 37 -6.472 -16.570 10.694