NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538116 |
2lg6   |
17798 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 5.313 2.629 7.989
2 H2 LEU 1 HT2 LEU 1 6.871 2.368 7.391
3 H3 LEU 1 HT3 LEU 1 5.562 1.547 6.717
4 HA LEU 1 HA LEU 1 5.926 4.483 6.624
5 HB2 LEU 1 HB2 LEU 1 7.527 2.873 5.335
6 HB3 LEU 1 HB1 LEU 1 6.131 2.567 4.326
7 HG LEU 1 HG LEU 1 7.650 4.231 3.344
8 HD11 LEU 1 HD11 LEU 1 5.176 5.717 4.098
9 HD12 LEU 1 HD12 LEU 1 5.069 4.246 3.130
10 HD13 LEU 1 HD13 LEU 1 6.001 5.622 2.542
11 HD21 LEU 1 HD21 LEU 1 6.882 6.377 5.179
12 HD22 LEU 1 HD22 LEU 1 8.434 6.029 4.418
13 HD23 LEU 1 HD23 LEU 1 7.961 5.172 5.882
14 H PHE 2 HN PHE 2 4.001 5.453 6.347
15 HA PHE 2 HA PHE 2 1.691 3.890 5.754
16 HB2 PHE 2 HB2 PHE 2 1.754 5.974 7.256
17 HB3 PHE 2 HB1 PHE 2 1.746 6.899 5.755
18 HD1 PHE 2 HD2 PHE 2 -0.215 6.818 4.249
19 HD2 PHE 2 HD1 PHE 2 -0.201 4.850 8.024
20 HE1 PHE 2 HE2 PHE 2 -2.661 6.603 4.136
21 HE2 PHE 2 HE1 PHE 2 -2.650 4.629 7.918
22 HZ PHE 2 HZ PHE 2 -3.882 5.509 5.977
23 H CYS 3 HN CYS 3 0.159 4.522 4.043
24 HA CYS 3 HA CYS 3 1.389 5.675 1.666
25 HB2 CYS 3 HB2 CYS 3 0.100 2.940 1.745
26 HB3 CYS 3 HB1 CYS 3 0.556 3.791 0.272
27 H LYS 4 HN LYS 4 -0.055 6.750 0.395
28 HA LYS 4 HA LYS 4 -2.273 7.891 1.421
29 HB2 LYS 4 HB2 LYS 4 -2.000 7.168 -1.496
30 HB3 LYS 4 HB1 LYS 4 -2.959 8.477 -0.820
31 HG2 LYS 4 HG2 LYS 4 -0.848 9.503 0.014
32 HG3 LYS 4 HG1 LYS 4 0.041 8.252 -0.858
33 HD2 LYS 4 HD2 LYS 4 -1.127 9.006 -2.945
34 HD3 LYS 4 HD1 LYS 4 -1.776 10.358 -2.019
35 HE2 LYS 4 HE2 LYS 4 0.170 11.108 -3.194
36 HE3 LYS 4 HE1 LYS 4 0.548 11.032 -1.475
37 HZ1 LYS 4 HZ1 LYS 4 1.774 9.667 -3.641
38 HZ2 LYS 4 HZ2 LYS 4 1.219 8.562 -2.491
39 HZ3 LYS 4 HZ3 LYS 4 2.283 9.793 -2.035
40 H GLY 5 HN GLY 5 -3.344 6.227 2.633
41 HA2 GLY 5 HA2 GLY 5 -5.748 5.487 2.248
42 HA3 GLY 5 HA1 GLY 5 -5.042 4.475 1.006
43 H GLY 6 HN GLY 6 -2.684 3.775 2.510
44 HA2 GLY 6 HA2 GLY 6 -3.656 2.442 4.903
45 HA3 GLY 6 HA1 GLY 6 -3.235 1.384 3.566
46 H SER 7 HN SER 7 -1.274 0.533 3.786
47 HA SER 7 HA SER 7 0.917 2.256 4.652
48 HB2 SER 7 HB2 SER 7 0.462 -0.476 5.865
49 HB3 SER 7 HB1 SER 7 1.709 0.690 6.299
50 HG SER 7 HG SER 7 -0.494 2.017 6.561
51 H CYS 8 HN CYS 8 3.035 1.281 4.246
52 HA CYS 8 HA CYS 8 2.998 -0.170 1.719
53 HB2 CYS 8 HB2 CYS 8 4.611 1.262 1.177
54 HB3 CYS 8 HB1 CYS 8 4.498 1.991 2.769
55 H HIS 9 HN HIS 9 4.109 -2.023 1.347
56 HA HIS 9 HA HIS 9 5.393 -3.383 3.594
57 HB2 HIS 9 HB2 HIS 9 3.361 -4.757 1.836
58 HB3 HIS 9 HB1 HIS 9 4.096 -5.356 3.314
59 HD1 HIS 9 HD1 HIS 9 3.036 -4.602 5.548
60 HD2 HIS 9 HD2 HIS 9 1.298 -2.931 2.176
61 HE1 HIS 9 HE1 HIS 9 0.915 -3.522 6.350
62 HE2 HIS 9 HE2 HIS 9 -0.030 -2.370 4.325
63 H PHE 10 HN PHE 10 7.209 -4.322 2.928
64 HA PHE 10 HA PHE 10 8.045 -4.145 0.257
65 HB2 PHE 10 HB2 PHE 10 9.554 -4.222 2.292
66 HB3 PHE 10 HB1 PHE 10 9.231 -5.951 2.367
67 HD1 PHE 10 HD1 PHE 10 9.272 -4.642 -0.940
68 HD2 PHE 10 HD2 PHE 10 11.764 -6.105 2.176
69 HE1 PHE 10 HE1 PHE 10 11.027 -5.032 -2.561
70 HE2 PHE 10 HE2 PHE 10 13.557 -6.497 0.544
71 HZ PHE 10 HZ PHE 10 13.195 -5.955 -1.833
72 H GLY 11 HN GLY 11 7.679 -5.498 -1.417
73 HA2 GLY 11 HA2 GLY 11 7.726 -7.810 -2.215
74 HA3 GLY 11 HA1 GLY 11 6.789 -8.246 -0.798
75 H GLY 12 HN GLY 12 4.778 -6.469 -0.747
76 HA2 GLY 12 HA2 GLY 12 3.572 -5.886 -3.211
77 HA3 GLY 12 HA1 GLY 12 2.995 -7.446 -2.644
78 H CYS 13 HN CYS 13 1.027 -7.181 -1.829
79 HA CYS 13 HA CYS 13 0.654 -5.240 0.303
80 HB2 CYS 13 HB2 CYS 13 -0.997 -5.319 -2.214
81 HB3 CYS 13 HB1 CYS 13 -1.511 -4.487 -0.740
82 HA PRO 14 HA PRO 14 -1.526 -8.615 2.156
83 HB2 PRO 14 HB2 PRO 14 -3.221 -6.452 3.279
84 HB3 PRO 14 HB1 PRO 14 -2.373 -7.752 4.116
85 HG2 PRO 14 HG2 PRO 14 -1.487 -5.227 4.183
86 HG3 PRO 14 HG1 PRO 14 -0.375 -6.604 4.152
87 HD2 PRO 14 HD2 PRO 14 -1.092 -4.695 1.989
88 HD3 PRO 14 HD1 PRO 14 0.434 -5.553 2.284
89 H SER 15 HN SER 15 -3.165 -9.758 1.322
90 HA SER 15 HA SER 15 -4.527 -9.278 -0.894
91 HB2 SER 15 HB2 SER 15 -6.391 -10.763 0.117
92 HB3 SER 15 HB1 SER 15 -4.760 -11.423 0.005
93 HG SER 15 HG SER 15 -4.459 -11.050 2.169
94 H HIS 16 HN HIS 16 -5.454 -8.070 2.256
95 HA HIS 16 HA HIS 16 -8.009 -7.119 1.598
96 HB2 HIS 16 HB2 HIS 16 -6.498 -5.492 3.521
97 HB3 HIS 16 HB1 HIS 16 -8.075 -6.249 3.684
98 HD1 HIS 16 HD1 HIS 16 -4.783 -6.457 4.978
99 HD2 HIS 16 HD2 HIS 16 -7.705 -9.221 3.993
100 HE1 HIS 16 HE1 HIS 16 -4.107 -8.577 6.112
101 HE2 HIS 16 HE2 HIS 16 -5.977 -10.195 5.651
102 H LEU 17 HN LEU 17 -4.881 -5.487 1.658
103 HA LEU 17 HA LEU 17 -5.936 -3.012 0.793
104 HB2 LEU 17 HB2 LEU 17 -3.086 -3.950 0.949
105 HB3 LEU 17 HB1 LEU 17 -3.589 -2.297 0.656
106 HG LEU 17 HG LEU 17 -3.916 -3.913 3.168
107 HD11 LEU 17 HD11 LEU 17 -2.394 -1.507 2.337
108 HD12 LEU 17 HD12 LEU 17 -1.897 -2.872 3.338
109 HD13 LEU 17 HD13 LEU 17 -2.956 -1.626 4.001
110 HD21 LEU 17 HD21 LEU 17 -5.298 -1.349 2.412
111 HD22 LEU 17 HD22 LEU 17 -5.135 -1.926 4.069
112 HD23 LEU 17 HD23 LEU 17 -6.044 -2.876 2.893
113 H ILE 18 HN ILE 18 -4.654 -1.853 -0.923
114 HA ILE 18 HA ILE 18 -4.622 -3.339 -3.433
115 HB ILE 18 HB ILE 18 -5.568 -1.040 -4.337
116 HG12 ILE 18 HG12 ILE 18 -7.372 -0.308 -2.609
117 HG13 ILE 18 HG11 ILE 18 -6.306 -1.035 -1.432
118 HG21 ILE 18 HG21 ILE 18 -7.115 -3.262 -3.067
119 HG22 ILE 18 HG22 ILE 18 -6.791 -2.971 -4.776
120 HG23 ILE 18 HG23 ILE 18 -7.916 -1.932 -3.900
121 HD11 ILE 18 HD11 ILE 18 -4.655 0.536 -1.764
122 HD12 ILE 18 HD12 ILE 18 -6.130 1.484 -1.908
123 HD13 ILE 18 HD13 ILE 18 -5.254 0.985 -3.355
124 H LYS 19 HN LYS 19 -2.938 -2.809 -4.745
125 HA LYS 19 HA LYS 19 -0.768 -1.365 -3.655
126 HB2 LYS 19 HB2 LYS 19 -0.481 -3.226 -5.222
127 HB3 LYS 19 HB1 LYS 19 -1.260 -2.297 -6.490
128 HG2 LYS 19 HG2 LYS 19 1.105 -2.266 -6.834
129 HG3 LYS 19 HG1 LYS 19 0.575 -0.651 -6.360
130 HD2 LYS 19 HD2 LYS 19 1.463 -0.884 -4.195
131 HD3 LYS 19 HD1 LYS 19 1.650 -2.629 -4.369
132 HE2 LYS 19 HE2 LYS 19 3.142 -0.625 -6.049
133 HE3 LYS 19 HE1 LYS 19 3.773 -1.275 -4.539
134 HZ1 LYS 19 HZ1 LYS 19 3.722 -3.475 -5.464
135 HZ2 LYS 19 HZ2 LYS 19 4.575 -2.465 -6.515
136 HZ3 LYS 19 HZ3 LYS 19 2.992 -2.920 -6.883
137 H VAL 20 HN VAL 20 -1.040 0.759 -3.285
138 HA VAL 20 HA VAL 20 -2.439 2.475 -5.136
139 HB VAL 20 HB VAL 20 -1.171 4.221 -3.456
140 HG11 VAL 20 HG11 VAL 20 -3.808 2.806 -3.199
141 HG12 VAL 20 HG12 VAL 20 -3.476 4.419 -3.830
142 HG13 VAL 20 HG13 VAL 20 -3.324 4.102 -2.100
143 HG21 VAL 20 HG21 VAL 20 -1.373 3.280 -1.177
144 HG22 VAL 20 HG22 VAL 20 -0.115 2.504 -2.138
145 HG23 VAL 20 HG23 VAL 20 -1.659 1.693 -1.889
146 H GLY 21 HN GLY 21 0.848 1.683 -4.319
147 HA2 GLY 21 HA2 GLY 21 1.946 2.423 -6.758
148 HA3 GLY 21 HA1 GLY 21 2.130 3.803 -5.687
149 H SER 22 HN SER 22 4.445 3.366 -6.027
150 HA SER 22 HA SER 22 5.498 1.020 -4.682
151 HB2 SER 22 HB2 SER 22 7.687 2.545 -5.307
152 HB3 SER 22 HB1 SER 22 6.976 1.334 -6.370
153 HG SER 22 HG SER 22 5.767 2.979 -7.358
154 H CYS 23 HN CYS 23 6.832 1.104 -2.870
155 HA CYS 23 HA CYS 23 6.308 3.366 -1.084
156 HB2 CYS 23 HB2 CYS 23 5.752 1.182 -0.207
157 HB3 CYS 23 HB1 CYS 23 7.324 0.566 -0.636
158 H PHE 24 HN PHE 24 8.499 3.132 0.606
159 HA PHE 24 HA PHE 24 10.443 4.555 -0.807
160 HB2 PHE 24 HB2 PHE 24 10.054 4.593 1.717
161 HB3 PHE 24 HB1 PHE 24 10.963 3.089 1.766
162 HD1 PHE 24 HD1 PHE 24 11.499 6.170 -0.244
163 HD2 PHE 24 HD2 PHE 24 13.002 3.590 2.789
164 HE1 PHE 24 HE1 PHE 24 13.592 7.452 -0.196
165 HE2 PHE 24 HE2 PHE 24 15.099 4.870 2.836
166 HZ PHE 24 HZ PHE 24 15.398 6.803 1.345
167 H GLY 25 HN GLY 25 11.466 3.724 -2.415
168 HA2 GLY 25 HA2 GLY 25 12.895 2.412 -3.580
169 HA3 GLY 25 HA1 GLY 25 13.316 1.621 -2.079
170 H PHE 26 HN PHE 26 13.282 -0.409 -2.574
171 HA PHE 26 HA PHE 26 11.771 -1.779 -4.428
172 HB2 PHE 26 HB2 PHE 26 12.439 -3.795 -2.972
173 HB3 PHE 26 HB1 PHE 26 13.723 -2.803 -3.645
174 HD1 PHE 26 HD1 PHE 26 12.056 -1.120 -0.989
175 HD2 PHE 26 HD2 PHE 26 15.022 -4.059 -1.793
176 HE1 PHE 26 HE1 PHE 26 12.975 -0.760 1.237
177 HE2 PHE 26 HE2 PHE 26 15.959 -3.713 0.457
178 HZ PHE 26 HZ PHE 26 14.938 -2.065 1.978
179 H ARG 27 HN ARG 27 10.628 -0.570 -1.460
180 HA ARG 27 HA ARG 27 8.760 -2.664 -0.935
181 HB2 ARG 27 HB2 ARG 27 9.127 0.089 0.177
182 HB3 ARG 27 HB1 ARG 27 7.745 -0.912 0.624
183 HG2 ARG 27 HG2 ARG 27 9.262 -2.650 1.393
184 HG3 ARG 27 HG1 ARG 27 10.629 -1.649 0.951
185 HD2 ARG 27 HD2 ARG 27 8.525 -0.742 2.889
186 HD3 ARG 27 HD1 ARG 27 9.973 -1.616 3.394
187 HE ARG 27 HE ARG 27 10.702 0.561 1.785
188 HH11 ARG 27 HH11 ARG 27 9.234 0.010 4.903
189 HH12 ARG 27 HH12 ARG 27 10.063 1.324 5.672
190 HH21 ARG 27 HH21 ARG 27 11.867 2.253 2.829
191 HH22 ARG 27 HH22 ARG 27 11.556 2.593 4.500
192 H SER 28 HN SER 28 6.462 -2.409 -0.853
193 HA SER 28 HA SER 28 5.468 -0.878 -3.156
194 HB2 SER 28 HB2 SER 28 4.680 -3.537 -1.973
195 HB3 SER 28 HB1 SER 28 3.578 -2.644 -3.026
196 HG SER 28 HG SER 28 6.117 -2.827 -4.035
197 H CYS 29 HN CYS 29 3.777 0.505 -2.850
198 HA CYS 29 HA CYS 29 3.015 1.012 -0.085
199 HB2 CYS 29 HB2 CYS 29 3.448 2.653 -2.392
200 HB3 CYS 29 HB1 CYS 29 1.797 2.891 -1.830
201 H CYS 30 HN CYS 30 1.114 0.414 0.725
202 HA CYS 30 HA CYS 30 -0.964 -0.444 -1.159
203 HB2 CYS 30 HB2 CYS 30 -0.496 -1.570 1.590
204 HB3 CYS 30 HB1 CYS 30 -1.450 -2.253 0.275
205 H ALA 31 HN ALA 31 -2.967 0.081 -0.809
206 HA ALA 31 HA ALA 31 -3.676 1.717 1.516
207 HB1 ALA 31 HB1 ALA 31 -3.978 2.328 -1.374
208 HB2 ALA 31 HB2 ALA 31 -3.562 3.396 -0.040
209 HB3 ALA 31 HB3 ALA 31 -5.228 2.866 -0.264
210 H TRP 32 HN TRP 32 -6.213 1.870 1.517
211 HA TRP 32 HA TRP 32 -7.091 -0.857 1.467
212 HB2 TRP 32 HB2 TRP 32 -7.911 1.665 2.721
213 HB3 TRP 32 HB1 TRP 32 -9.203 0.501 2.423
214 HD1 TRP 32 HD1 TRP 32 -6.180 1.132 4.657
215 HE1 TRP 32 HE1 TRP 32 -6.120 -0.710 6.468
216 HE3 TRP 32 HE3 TRP 32 -9.741 -1.875 2.763
217 HZ2 TRP 32 HZ2 TRP 32 -7.453 -3.168 6.991
218 HZ3 TRP 32 HZ3 TRP 32 -10.329 -3.977 3.937
219 HH2 TRP 32 HH2 TRP 32 -9.198 -4.604 6.016
220 HA PRO 33 HA PRO 33 -9.126 -1.015 -2.429
221 HB2 PRO 33 HB2 PRO 33 -11.215 -2.644 -1.702
222 HB3 PRO 33 HB1 PRO 33 -9.577 -3.197 -2.069
223 HG2 PRO 33 HG2 PRO 33 -10.794 -2.551 0.606
224 HG3 PRO 33 HG1 PRO 33 -9.857 -3.986 0.128
225 HD2 PRO 33 HD2 PRO 33 -8.644 -2.075 1.442
226 HD3 PRO 33 HD1 PRO 33 -7.849 -2.747 0.011
227 H TRP 34 HN TRP 34 -10.961 0.310 0.259
228 HA TRP 34 HA TRP 34 -13.486 0.593 -0.425
229 HB2 TRP 34 HB2 TRP 34 -12.987 3.282 -0.066
230 HB3 TRP 34 HB1 TRP 34 -13.270 2.106 1.212
231 HD1 TRP 34 HD1 TRP 34 -11.504 2.131 3.007
232 HE1 TRP 34 HE1 TRP 34 -9.028 2.695 3.135
233 HE3 TRP 34 HE3 TRP 34 -10.661 3.429 -1.855
234 HZ2 TRP 34 HZ2 TRP 34 -6.962 3.509 1.426
235 HZ3 TRP 34 HZ3 TRP 34 -8.409 4.051 -2.548
236 HH2 TRP 34 HH2 TRP 34 -6.599 4.112 -0.950
237 H ASN 35 HN ASN 35 -10.946 2.028 -2.333
238 HA ASN 35 HA ASN 35 -12.742 2.423 -4.581
239 HB2 ASN 35 HB2 ASN 35 -11.108 4.813 -3.859
240 HB3 ASN 35 HB1 ASN 35 -12.639 4.736 -4.718
241 HD21 ASN 35 HD21 ASN 35 -11.090 5.404 -1.820
242 HD22 ASN 35 HD22 ASN 35 -12.484 5.568 -0.813
243 H ALA 36 HN ALA 36 -10.571 0.708 -4.126
244 HA ALA 36 HA ALA 36 -8.718 1.691 -6.154
245 HB1 ALA 36 HB1 ALA 36 -7.271 2.252 -4.536
246 HB2 ALA 36 HB2 ALA 36 -6.962 0.521 -4.457
247 HB3 ALA 36 HB3 ALA 36 -8.087 1.271 -3.321
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 6.684 2.565 7.063
2 H2 LEU 1 HT2 LEU 1 6.710 1.825 5.546
3 H3 LEU 1 HT3 LEU 1 5.286 1.842 6.453
4 HA LEU 1 HA LEU 1 5.988 4.480 6.242
5 HB2 LEU 1 HB2 LEU 1 7.550 3.742 4.447
6 HB3 LEU 1 HB1 LEU 1 6.189 3.044 3.586
7 HG LEU 1 HG LEU 1 5.182 5.355 3.505
8 HD11 LEU 1 HD11 LEU 1 7.693 5.955 4.919
9 HD12 LEU 1 HD12 LEU 1 6.133 6.776 4.962
10 HD13 LEU 1 HD13 LEU 1 7.245 7.069 3.626
11 HD21 LEU 1 HD21 LEU 1 6.707 6.126 1.687
12 HD22 LEU 1 HD22 LEU 1 6.157 4.457 1.535
13 HD23 LEU 1 HD23 LEU 1 7.789 4.798 2.112
14 H PHE 2 HN PHE 2 4.060 5.557 5.968
15 HA PHE 2 HA PHE 2 1.723 3.949 5.573
16 HB2 PHE 2 HB2 PHE 2 1.829 6.009 7.095
17 HB3 PHE 2 HB1 PHE 2 1.767 6.965 5.615
18 HD1 PHE 2 HD2 PHE 2 -0.237 6.884 4.160
19 HD2 PHE 2 HD1 PHE 2 -0.117 4.925 7.940
20 HE1 PHE 2 HE2 PHE 2 -2.687 6.693 4.132
21 HE2 PHE 2 HE1 PHE 2 -2.569 4.726 7.915
22 HZ PHE 2 HZ PHE 2 -3.857 5.613 6.013
23 H CYS 3 HN CYS 3 0.078 4.621 3.943
24 HA CYS 3 HA CYS 3 1.173 5.818 1.522
25 HB2 CYS 3 HB2 CYS 3 -0.146 3.093 1.552
26 HB3 CYS 3 HB1 CYS 3 0.399 3.961 0.121
27 H LYS 4 HN LYS 4 -0.386 6.967 0.425
28 HA LYS 4 HA LYS 4 -2.602 7.919 1.657
29 HB2 LYS 4 HB2 LYS 4 -2.325 7.448 -1.315
30 HB3 LYS 4 HB1 LYS 4 -3.499 8.511 -0.559
31 HG2 LYS 4 HG2 LYS 4 -1.685 9.892 0.323
32 HG3 LYS 4 HG1 LYS 4 -0.511 8.826 -0.444
33 HD2 LYS 4 HD2 LYS 4 -0.768 10.717 -1.861
34 HD3 LYS 4 HD1 LYS 4 -1.587 9.369 -2.644
35 HE2 LYS 4 HE2 LYS 4 -2.959 11.486 -0.989
36 HE3 LYS 4 HE1 LYS 4 -2.839 11.514 -2.745
37 HZ1 LYS 4 HZ1 LYS 4 -3.879 9.093 -2.345
38 HZ2 LYS 4 HZ2 LYS 4 -4.806 10.478 -2.607
39 HZ3 LYS 4 HZ3 LYS 4 -4.550 9.924 -1.034
40 H GLY 5 HN GLY 5 -3.495 6.094 2.793
41 HA2 GLY 5 HA2 GLY 5 -5.904 5.244 2.379
42 HA3 GLY 5 HA1 GLY 5 -5.102 4.289 1.148
43 H GLY 6 HN GLY 6 -2.731 3.739 2.596
44 HA2 GLY 6 HA2 GLY 6 -3.506 2.404 5.049
45 HA3 GLY 6 HA1 GLY 6 -3.137 1.331 3.706
46 H SER 7 HN SER 7 -1.111 0.606 3.698
47 HA SER 7 HA SER 7 1.062 2.417 4.315
48 HB2 SER 7 HB2 SER 7 0.679 -0.147 5.867
49 HB3 SER 7 HB1 SER 7 2.059 0.943 5.993
50 HG SER 7 HG SER 7 -0.026 2.465 6.340
51 H CYS 8 HN CYS 8 3.175 1.392 3.924
52 HA CYS 8 HA CYS 8 3.017 -0.248 1.538
53 HB2 CYS 8 HB2 CYS 8 4.725 0.996 0.773
54 HB3 CYS 8 HB1 CYS 8 4.395 2.058 2.122
55 H HIS 9 HN HIS 9 4.016 -2.151 1.292
56 HA HIS 9 HA HIS 9 5.462 -3.311 3.567
57 HB2 HIS 9 HB2 HIS 9 3.427 -4.852 1.953
58 HB3 HIS 9 HB1 HIS 9 4.208 -5.331 3.451
59 HD1 HIS 9 HD1 HIS 9 3.135 -4.538 5.647
60 HD2 HIS 9 HD2 HIS 9 1.328 -3.016 2.232
61 HE1 HIS 9 HE1 HIS 9 0.989 -3.482 6.430
62 HE2 HIS 9 HE2 HIS 9 0.004 -2.421 4.375
63 H PHE 10 HN PHE 10 7.221 -4.427 2.927
64 HA PHE 10 HA PHE 10 8.039 -4.244 0.242
65 HB2 PHE 10 HB2 PHE 10 9.497 -4.404 2.409
66 HB3 PHE 10 HB1 PHE 10 9.331 -6.138 2.178
67 HD1 PHE 10 HD1 PHE 10 9.215 -4.686 -0.980
68 HD2 PHE 10 HD2 PHE 10 11.947 -5.627 2.138
69 HE1 PHE 10 HE1 PHE 10 11.073 -4.674 -2.588
70 HE2 PHE 10 HE2 PHE 10 13.787 -5.622 0.567
71 HZ PHE 10 HZ PHE 10 13.334 -5.088 -1.861
72 H GLY 11 HN GLY 11 7.606 -5.557 -1.416
73 HA2 GLY 11 HA2 GLY 11 7.698 -7.879 -2.222
74 HA3 GLY 11 HA1 GLY 11 6.764 -8.325 -0.808
75 H GLY 12 HN GLY 12 4.783 -6.469 -0.771
76 HA2 GLY 12 HA2 GLY 12 3.555 -5.920 -3.221
77 HA3 GLY 12 HA1 GLY 12 2.965 -7.467 -2.634
78 H CYS 13 HN CYS 13 1.018 -7.182 -1.788
79 HA CYS 13 HA CYS 13 0.685 -5.205 0.319
80 HB2 CYS 13 HB2 CYS 13 -0.991 -5.313 -2.182
81 HB3 CYS 13 HB1 CYS 13 -1.505 -4.474 -0.712
82 HA PRO 14 HA PRO 14 -1.539 -8.502 2.226
83 HB2 PRO 14 HB2 PRO 14 -3.302 -6.439 3.386
84 HB3 PRO 14 HB1 PRO 14 -2.285 -7.625 4.198
85 HG2 PRO 14 HG2 PRO 14 -1.689 -4.987 4.115
86 HG3 PRO 14 HG1 PRO 14 -0.459 -6.257 4.206
87 HD2 PRO 14 HD2 PRO 14 -1.271 -4.567 1.906
88 HD3 PRO 14 HD1 PRO 14 0.300 -5.302 2.273
89 H SER 15 HN SER 15 -3.154 -9.683 1.382
90 HA SER 15 HA SER 15 -4.529 -9.224 -0.829
91 HB2 SER 15 HB2 SER 15 -5.732 -10.645 1.551
92 HB3 SER 15 HB1 SER 15 -6.159 -10.893 -0.142
93 HG SER 15 HG SER 15 -3.779 -11.391 -0.349
94 H HIS 16 HN HIS 16 -5.435 -7.925 2.312
95 HA HIS 16 HA HIS 16 -8.025 -7.062 1.587
96 HB2 HIS 16 HB2 HIS 16 -6.563 -5.345 3.482
97 HB3 HIS 16 HB1 HIS 16 -8.169 -6.041 3.603
98 HD1 HIS 16 HD1 HIS 16 -5.133 -6.131 5.253
99 HD2 HIS 16 HD2 HIS 16 -7.768 -9.079 4.013
100 HE1 HIS 16 HE1 HIS 16 -4.566 -8.141 6.605
101 HE2 HIS 16 HE2 HIS 16 -6.326 -9.843 6.023
102 H LEU 17 HN LEU 17 -4.914 -5.398 1.666
103 HA LEU 17 HA LEU 17 -5.923 -2.935 0.755
104 HB2 LEU 17 HB2 LEU 17 -3.085 -3.911 0.845
105 HB3 LEU 17 HB1 LEU 17 -3.584 -2.250 0.602
106 HG LEU 17 HG LEU 17 -3.864 -3.918 3.086
107 HD11 LEU 17 HD11 LEU 17 -2.783 -1.845 4.050
108 HD12 LEU 17 HD12 LEU 17 -2.459 -1.366 2.386
109 HD13 LEU 17 HD13 LEU 17 -1.775 -2.863 3.024
110 HD21 LEU 17 HD21 LEU 17 -5.030 -1.934 4.060
111 HD22 LEU 17 HD22 LEU 17 -5.982 -2.847 2.890
112 HD23 LEU 17 HD23 LEU 17 -5.231 -1.321 2.421
113 H ILE 18 HN ILE 18 -4.572 -1.821 -0.977
114 HA ILE 18 HA ILE 18 -4.595 -3.290 -3.496
115 HB ILE 18 HB ILE 18 -5.551 -0.967 -4.372
116 HG12 ILE 18 HG12 ILE 18 -7.393 -0.315 -2.655
117 HG13 ILE 18 HG11 ILE 18 -6.322 -1.041 -1.481
118 HG21 ILE 18 HG21 ILE 18 -7.906 -1.942 -3.882
119 HG22 ILE 18 HG22 ILE 18 -6.998 -3.314 -3.256
120 HG23 ILE 18 HG23 ILE 18 -6.793 -2.812 -4.934
121 HD11 ILE 18 HD11 ILE 18 -4.674 0.554 -1.824
122 HD12 ILE 18 HD12 ILE 18 -6.174 1.473 -1.860
123 HD13 ILE 18 HD13 ILE 18 -5.350 1.065 -3.365
124 H LYS 19 HN LYS 19 -2.925 -2.731 -4.821
125 HA LYS 19 HA LYS 19 -0.737 -1.319 -3.739
126 HB2 LYS 19 HB2 LYS 19 -0.498 -3.136 -5.376
127 HB3 LYS 19 HB1 LYS 19 -1.277 -2.147 -6.599
128 HG2 LYS 19 HG2 LYS 19 1.070 -2.111 -6.990
129 HG3 LYS 19 HG1 LYS 19 0.595 -0.522 -6.392
130 HD2 LYS 19 HD2 LYS 19 1.429 -1.070 -4.188
131 HD3 LYS 19 HD1 LYS 19 1.808 -2.712 -4.709
132 HE2 LYS 19 HE2 LYS 19 3.027 -0.202 -5.852
133 HE3 LYS 19 HE1 LYS 19 3.791 -1.234 -4.648
134 HZ1 LYS 19 HZ1 LYS 19 4.494 -2.584 -6.238
135 HZ2 LYS 19 HZ2 LYS 19 3.936 -1.481 -7.386
136 HZ3 LYS 19 HZ3 LYS 19 2.945 -2.752 -6.888
137 H VAL 20 HN VAL 20 -1.000 0.809 -3.302
138 HA VAL 20 HA VAL 20 -2.392 2.560 -5.129
139 HB VAL 20 HB VAL 20 -1.145 4.287 -3.423
140 HG11 VAL 20 HG11 VAL 20 -3.445 4.482 -3.792
141 HG12 VAL 20 HG12 VAL 20 -3.308 4.123 -2.072
142 HG13 VAL 20 HG13 VAL 20 -3.773 2.850 -3.208
143 HG21 VAL 20 HG21 VAL 20 -1.572 1.713 -1.914
144 HG22 VAL 20 HG22 VAL 20 -1.403 3.290 -1.145
145 HG23 VAL 20 HG23 VAL 20 -0.070 2.621 -2.089
146 H GLY 21 HN GLY 21 0.892 1.752 -4.297
147 HA2 GLY 21 HA2 GLY 21 2.007 2.479 -6.725
148 HA3 GLY 21 HA1 GLY 21 2.173 3.880 -5.671
149 H SER 22 HN SER 22 4.515 3.298 -6.140
150 HA SER 22 HA SER 22 5.524 1.028 -4.660
151 HB2 SER 22 HB2 SER 22 7.777 2.144 -5.404
152 HB3 SER 22 HB1 SER 22 6.766 1.315 -6.584
153 HG SER 22 HG SER 22 6.856 3.146 -7.611
154 H CYS 23 HN CYS 23 7.043 1.170 -2.971
155 HA CYS 23 HA CYS 23 6.590 3.450 -1.200
156 HB2 CYS 23 HB2 CYS 23 6.138 1.117 -0.420
157 HB3 CYS 23 HB1 CYS 23 7.840 0.774 -0.625
158 H PHE 24 HN PHE 24 8.867 3.108 0.402
159 HA PHE 24 HA PHE 24 10.807 4.485 -1.173
160 HB2 PHE 24 HB2 PHE 24 10.270 5.250 1.085
161 HB3 PHE 24 HB1 PHE 24 10.803 3.708 1.740
162 HD1 PHE 24 HD1 PHE 24 12.135 6.336 -0.546
163 HD2 PHE 24 HD2 PHE 24 12.866 3.710 2.715
164 HE1 PHE 24 HE1 PHE 24 14.427 7.216 -0.360
165 HE2 PHE 24 HE2 PHE 24 15.157 4.585 2.914
166 HZ PHE 24 HZ PHE 24 15.937 6.348 1.387
167 H GLY 25 HN GLY 25 12.647 3.803 -1.882
168 HA2 GLY 25 HA2 GLY 25 14.443 2.516 -2.281
169 HA3 GLY 25 HA1 GLY 25 14.101 1.646 -0.815
170 H PHE 26 HN PHE 26 11.627 0.480 -1.542
171 HA PHE 26 HA PHE 26 11.736 -0.867 -4.019
172 HB2 PHE 26 HB2 PHE 26 12.442 -3.110 -2.759
173 HB3 PHE 26 HB1 PHE 26 13.616 -2.032 -3.491
174 HD1 PHE 26 HD1 PHE 26 11.954 -0.952 -0.455
175 HD2 PHE 26 HD2 PHE 26 15.367 -2.955 -2.009
176 HE1 PHE 26 HE1 PHE 26 13.074 -0.757 1.726
177 HE2 PHE 26 HE2 PHE 26 16.481 -2.786 0.148
178 HZ PHE 26 HZ PHE 26 15.407 -1.487 1.979
179 H ARG 27 HN ARG 27 10.506 -0.502 -0.854
180 HA ARG 27 HA ARG 27 8.766 -2.706 -0.745
181 HB2 ARG 27 HB2 ARG 27 8.762 -0.033 0.636
182 HB3 ARG 27 HB1 ARG 27 7.539 -1.258 0.955
183 HG2 ARG 27 HG2 ARG 27 9.150 -2.752 1.792
184 HG3 ARG 27 HG1 ARG 27 10.469 -1.758 1.194
185 HD2 ARG 27 HD2 ARG 27 8.504 -0.822 3.262
186 HD3 ARG 27 HD1 ARG 27 10.021 -1.621 3.672
187 HE ARG 27 HE ARG 27 10.624 0.494 1.968
188 HH11 ARG 27 HH11 ARG 27 9.273 0.029 5.158
189 HH12 ARG 27 HH12 ARG 27 9.915 1.509 5.794
190 HH21 ARG 27 HH21 ARG 27 11.494 2.445 2.809
191 HH22 ARG 27 HH22 ARG 27 11.170 2.894 4.450
192 H SER 28 HN SER 28 6.404 -2.589 -0.805
193 HA SER 28 HA SER 28 5.519 -0.962 -3.083
194 HB2 SER 28 HB2 SER 28 4.469 -3.536 -1.884
195 HB3 SER 28 HB1 SER 28 3.643 -2.657 -3.177
196 HG SER 28 HG SER 28 4.880 -4.013 -4.290
197 H CYS 29 HN CYS 29 3.817 0.451 -2.844
198 HA CYS 29 HA CYS 29 3.008 1.030 -0.107
199 HB2 CYS 29 HB2 CYS 29 3.564 2.617 -2.382
200 HB3 CYS 29 HB1 CYS 29 1.856 2.834 -2.022
201 H CYS 30 HN CYS 30 1.092 0.480 0.698
202 HA CYS 30 HA CYS 30 -0.983 -0.390 -1.190
203 HB2 CYS 30 HB2 CYS 30 -0.548 -1.508 1.565
204 HB3 CYS 30 HB1 CYS 30 -1.478 -2.196 0.235
205 H ALA 31 HN ALA 31 -2.988 0.137 -0.858
206 HA ALA 31 HA ALA 31 -3.739 1.764 1.464
207 HB1 ALA 31 HB1 ALA 31 -4.057 2.351 -1.433
208 HB2 ALA 31 HB2 ALA 31 -3.684 3.441 -0.106
209 HB3 ALA 31 HB3 ALA 31 -5.333 2.855 -0.333
210 H TRP 32 HN TRP 32 -6.291 1.829 1.474
211 HA TRP 32 HA TRP 32 -7.075 -0.930 1.363
212 HB2 TRP 32 HB2 TRP 32 -7.971 1.518 2.720
213 HB3 TRP 32 HB1 TRP 32 -9.209 0.296 2.423
214 HD1 TRP 32 HD1 TRP 32 -6.155 1.024 4.582
215 HE1 TRP 32 HE1 TRP 32 -5.928 -0.860 6.335
216 HE3 TRP 32 HE3 TRP 32 -9.614 -2.123 2.725
217 HZ2 TRP 32 HZ2 TRP 32 -7.098 -3.403 6.827
218 HZ3 TRP 32 HZ3 TRP 32 -10.037 -4.288 3.854
219 HH2 TRP 32 HH2 TRP 32 -8.797 -4.908 5.871
220 HA PRO 33 HA PRO 33 -9.163 -0.962 -2.509
221 HB2 PRO 33 HB2 PRO 33 -11.121 -2.767 -1.891
222 HB3 PRO 33 HB1 PRO 33 -9.441 -3.197 -2.233
223 HG2 PRO 33 HG2 PRO 33 -10.750 -2.699 0.435
224 HG3 PRO 33 HG1 PRO 33 -9.760 -4.092 -0.070
225 HD2 PRO 33 HD2 PRO 33 -8.616 -2.193 1.314
226 HD3 PRO 33 HD1 PRO 33 -7.794 -2.774 -0.142
227 H TRP 34 HN TRP 34 -10.982 0.141 0.266
228 HA TRP 34 HA TRP 34 -13.548 0.297 -0.315
229 HB2 TRP 34 HB2 TRP 34 -13.153 3.013 0.076
230 HB3 TRP 34 HB1 TRP 34 -13.369 1.803 1.336
231 HD1 TRP 34 HD1 TRP 34 -11.580 1.854 3.098
232 HE1 TRP 34 HE1 TRP 34 -9.120 2.488 3.206
233 HE3 TRP 34 HE3 TRP 34 -10.853 3.297 -1.748
234 HZ2 TRP 34 HZ2 TRP 34 -7.105 3.409 1.485
235 HZ3 TRP 34 HZ3 TRP 34 -8.627 3.998 -2.454
236 HH2 TRP 34 HH2 TRP 34 -6.802 4.082 -0.880
237 H ASN 35 HN ASN 35 -11.142 1.924 -2.230
238 HA ASN 35 HA ASN 35 -12.989 2.240 -4.442
239 HB2 ASN 35 HB2 ASN 35 -11.502 4.713 -3.721
240 HB3 ASN 35 HB1 ASN 35 -13.063 4.549 -4.513
241 HD21 ASN 35 HD21 ASN 35 -11.406 5.153 -1.623
242 HD22 ASN 35 HD22 ASN 35 -12.772 5.216 -0.558
243 H ALA 36 HN ALA 36 -10.702 0.672 -3.976
244 HA ALA 36 HA ALA 36 -8.971 1.660 -6.090
245 HB1 ALA 36 HB1 ALA 36 -7.046 0.775 -4.463
246 HB2 ALA 36 HB2 ALA 36 -8.186 1.374 -3.254
247 HB3 ALA 36 HB3 ALA 36 -7.569 2.458 -4.500
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 6.573 2.347 7.031
2 H2 LEU 1 HT2 LEU 1 4.940 1.966 6.851
3 H3 LEU 1 HT3 LEU 1 5.406 3.197 7.906
4 HA LEU 1 HA LEU 1 5.785 4.697 6.263
5 HB2 LEU 1 HB2 LEU 1 7.355 2.917 5.217
6 HB3 LEU 1 HB1 LEU 1 5.969 2.478 4.241
7 HG LEU 1 HG LEU 1 7.531 3.965 3.055
8 HD11 LEU 1 HD11 LEU 1 4.911 3.979 2.857
9 HD12 LEU 1 HD12 LEU 1 5.904 5.142 1.980
10 HD13 LEU 1 HD13 LEU 1 5.103 5.616 3.476
11 HD21 LEU 1 HD21 LEU 1 6.705 6.113 4.992
12 HD22 LEU 1 HD22 LEU 1 7.904 6.209 3.703
13 HD23 LEU 1 HD23 LEU 1 8.218 5.217 5.126
14 H PHE 2 HN PHE 2 3.891 5.692 5.877
15 HA PHE 2 HA PHE 2 1.582 4.095 5.263
16 HB2 PHE 2 HB2 PHE 2 1.562 6.093 6.862
17 HB3 PHE 2 HB1 PHE 2 1.581 7.095 5.410
18 HD1 PHE 2 HD1 PHE 2 -0.387 4.633 7.328
19 HD2 PHE 2 HD2 PHE 2 -0.328 7.312 4.024
20 HE1 PHE 2 HE1 PHE 2 -2.820 4.410 7.115
21 HE2 PHE 2 HE2 PHE 2 -2.770 7.094 3.805
22 HZ PHE 2 HZ PHE 2 -4.011 5.564 5.358
23 H CYS 3 HN CYS 3 0.091 4.728 3.596
24 HA CYS 3 HA CYS 3 1.181 6.088 1.279
25 HB2 CYS 3 HB2 CYS 3 0.108 3.261 1.104
26 HB3 CYS 3 HB1 CYS 3 0.737 4.232 -0.223
27 H LYS 4 HN LYS 4 -0.407 7.108 0.163
28 HA LYS 4 HA LYS 4 -2.682 7.969 1.205
29 HB2 LYS 4 HB2 LYS 4 -2.357 7.223 -1.696
30 HB3 LYS 4 HB1 LYS 4 -3.578 8.315 -1.062
31 HG2 LYS 4 HG2 LYS 4 -1.820 9.829 -0.292
32 HG3 LYS 4 HG1 LYS 4 -0.602 8.735 -0.949
33 HD2 LYS 4 HD2 LYS 4 -1.524 9.050 -3.191
34 HD3 LYS 4 HD1 LYS 4 -2.756 10.129 -2.535
35 HE2 LYS 4 HE2 LYS 4 -1.024 11.684 -1.816
36 HE3 LYS 4 HE1 LYS 4 0.222 10.594 -2.421
37 HZ1 LYS 4 HZ1 LYS 4 -0.762 10.861 -4.652
38 HZ2 LYS 4 HZ2 LYS 4 -0.161 12.307 -4.021
39 HZ3 LYS 4 HZ3 LYS 4 -1.823 12.015 -4.030
40 H GLY 5 HN GLY 5 -3.560 6.272 2.514
41 HA2 GLY 5 HA2 GLY 5 -5.920 5.330 2.206
42 HA3 GLY 5 HA1 GLY 5 -5.136 4.295 1.035
43 H GLY 6 HN GLY 6 -2.787 3.660 2.363
44 HA2 GLY 6 HA2 GLY 6 -3.520 2.620 4.980
45 HA3 GLY 6 HA1 GLY 6 -3.285 1.413 3.724
46 H SER 7 HN SER 7 -1.453 0.447 4.454
47 HA SER 7 HA SER 7 0.890 2.185 4.813
48 HB2 SER 7 HB2 SER 7 0.556 -0.573 5.988
49 HB3 SER 7 HB1 SER 7 1.746 0.655 6.422
50 HG SER 7 HG SER 7 -1.042 1.091 6.694
51 H CYS 8 HN CYS 8 2.957 1.247 4.243
52 HA CYS 8 HA CYS 8 2.800 -0.244 1.731
53 HB2 CYS 8 HB2 CYS 8 4.441 1.110 1.078
54 HB3 CYS 8 HB1 CYS 8 4.270 1.975 2.594
55 H HIS 9 HN HIS 9 4.049 -2.034 1.314
56 HA HIS 9 HA HIS 9 5.371 -3.342 3.563
57 HB2 HIS 9 HB2 HIS 9 3.300 -4.751 1.874
58 HB3 HIS 9 HB1 HIS 9 4.112 -5.358 3.307
59 HD1 HIS 9 HD1 HIS 9 3.011 -4.877 5.544
60 HD2 HIS 9 HD2 HIS 9 1.366 -2.712 2.406
61 HE1 HIS 9 HE1 HIS 9 0.960 -3.763 6.487
62 HE2 HIS 9 HE2 HIS 9 0.034 -2.389 4.600
63 H PHE 10 HN PHE 10 7.139 -4.406 2.905
64 HA PHE 10 HA PHE 10 7.967 -4.172 0.221
65 HB2 PHE 10 HB2 PHE 10 9.527 -4.197 2.210
66 HB3 PHE 10 HB1 PHE 10 9.227 -5.926 2.334
67 HD1 PHE 10 HD1 PHE 10 9.237 -4.551 -1.005
68 HD2 PHE 10 HD2 PHE 10 11.665 -6.211 2.061
69 HE1 PHE 10 HE1 PHE 10 11.031 -4.976 -2.633
70 HE2 PHE 10 HE2 PHE 10 13.439 -6.619 0.483
71 HZ PHE 10 HZ PHE 10 13.008 -6.050 -2.031
72 H GLY 11 HN GLY 11 7.793 -5.604 -1.438
73 HA2 GLY 11 HA2 GLY 11 7.826 -7.853 -2.283
74 HA3 GLY 11 HA1 GLY 11 6.989 -8.368 -0.831
75 H GLY 12 HN GLY 12 4.913 -6.627 -0.673
76 HA2 GLY 12 HA2 GLY 12 3.554 -6.189 -3.102
77 HA3 GLY 12 HA1 GLY 12 3.039 -7.712 -2.395
78 H CYS 13 HN CYS 13 1.067 -7.330 -1.609
79 HA CYS 13 HA CYS 13 0.812 -5.387 0.531
80 HB2 CYS 13 HB2 CYS 13 -0.833 -5.310 -1.989
81 HB3 CYS 13 HB1 CYS 13 -1.278 -4.462 -0.511
82 HA PRO 14 HA PRO 14 -1.618 -8.598 2.349
83 HB2 PRO 14 HB2 PRO 14 -3.355 -6.376 3.266
84 HB3 PRO 14 HB1 PRO 14 -2.595 -7.659 4.204
85 HG2 PRO 14 HG2 PRO 14 -1.684 -5.122 4.222
86 HG3 PRO 14 HG1 PRO 14 -0.616 -6.520 4.411
87 HD2 PRO 14 HD2 PRO 14 -0.960 -4.708 2.100
88 HD3 PRO 14 HD1 PRO 14 0.440 -5.691 2.568
89 H SER 15 HN SER 15 -3.203 -9.753 1.438
90 HA SER 15 HA SER 15 -4.403 -9.358 -0.881
91 HB2 SER 15 HB2 SER 15 -5.872 -10.602 1.443
92 HB3 SER 15 HB1 SER 15 -6.059 -10.990 -0.269
93 HG SER 15 HG SER 15 -4.128 -11.993 -0.278
94 H HIS 16 HN HIS 16 -5.449 -7.919 2.123
95 HA HIS 16 HA HIS 16 -7.938 -6.961 1.152
96 HB2 HIS 16 HB2 HIS 16 -6.686 -5.407 3.304
97 HB3 HIS 16 HB1 HIS 16 -8.282 -6.143 3.225
98 HD1 HIS 16 HD1 HIS 16 -5.086 -6.493 4.827
99 HD2 HIS 16 HD2 HIS 16 -8.127 -9.047 3.668
100 HE1 HIS 16 HE1 HIS 16 -4.670 -8.624 6.059
101 HE2 HIS 16 HE2 HIS 16 -6.707 -10.028 5.598
102 H LEU 17 HN LEU 17 -4.805 -5.420 1.684
103 HA LEU 17 HA LEU 17 -5.660 -2.896 0.743
104 HB2 LEU 17 HB2 LEU 17 -2.869 -3.939 1.159
105 HB3 LEU 17 HB1 LEU 17 -3.302 -2.260 0.891
106 HG LEU 17 HG LEU 17 -3.912 -3.966 3.289
107 HD11 LEU 17 HD11 LEU 17 -1.739 -2.875 3.255
108 HD12 LEU 17 HD12 LEU 17 -2.790 -2.170 4.482
109 HD13 LEU 17 HD13 LEU 17 -2.520 -1.319 2.962
110 HD21 LEU 17 HD21 LEU 17 -5.143 -1.356 2.461
111 HD22 LEU 17 HD22 LEU 17 -5.080 -1.893 4.137
112 HD23 LEU 17 HD23 LEU 17 -5.956 -2.849 2.941
113 H ILE 18 HN ILE 18 -5.283 -1.825 -0.993
114 HA ILE 18 HA ILE 18 -4.742 -3.241 -3.464
115 HB ILE 18 HB ILE 18 -5.593 -0.921 -4.389
116 HG12 ILE 18 HG12 ILE 18 -7.388 -0.058 -2.751
117 HG13 ILE 18 HG11 ILE 18 -6.456 -0.848 -1.507
118 HG21 ILE 18 HG21 ILE 18 -7.362 -2.130 -4.915
119 HG22 ILE 18 HG22 ILE 18 -7.923 -2.124 -3.246
120 HG23 ILE 18 HG23 ILE 18 -6.796 -3.365 -3.792
121 HD11 ILE 18 HD11 ILE 18 -4.660 0.583 -1.762
122 HD12 ILE 18 HD12 ILE 18 -6.055 1.636 -1.956
123 HD13 ILE 18 HD13 ILE 18 -5.160 1.086 -3.371
124 H LYS 19 HN LYS 19 -3.053 -2.747 -4.772
125 HA LYS 19 HA LYS 19 -0.809 -1.396 -3.688
126 HB2 LYS 19 HB2 LYS 19 -0.523 -3.242 -5.235
127 HB3 LYS 19 HB1 LYS 19 -1.405 -2.382 -6.485
128 HG2 LYS 19 HG2 LYS 19 0.857 -2.210 -7.070
129 HG3 LYS 19 HG1 LYS 19 0.430 -0.640 -6.393
130 HD2 LYS 19 HD2 LYS 19 1.473 -1.230 -4.292
131 HD3 LYS 19 HD1 LYS 19 1.824 -2.852 -4.893
132 HE2 LYS 19 HE2 LYS 19 2.880 -0.291 -6.083
133 HE3 LYS 19 HE1 LYS 19 3.783 -1.346 -4.998
134 HZ1 LYS 19 HZ1 LYS 19 3.820 -3.040 -6.611
135 HZ2 LYS 19 HZ2 LYS 19 4.219 -1.624 -7.438
136 HZ3 LYS 19 HZ3 LYS 19 2.668 -2.274 -7.579
137 H VAL 20 HN VAL 20 -1.076 0.751 -3.310
138 HA VAL 20 HA VAL 20 -2.407 2.469 -5.204
139 HB VAL 20 HB VAL 20 -1.173 4.218 -3.509
140 HG11 VAL 20 HG11 VAL 20 -3.357 4.161 -2.243
141 HG12 VAL 20 HG12 VAL 20 -3.812 2.799 -3.268
142 HG13 VAL 20 HG13 VAL 20 -3.477 4.372 -3.990
143 HG21 VAL 20 HG21 VAL 20 -1.434 3.298 -1.231
144 HG22 VAL 20 HG22 VAL 20 -0.165 2.493 -2.152
145 HG23 VAL 20 HG23 VAL 20 -1.725 1.707 -1.934
146 H GLY 21 HN GLY 21 0.888 1.673 -4.350
147 HA2 GLY 21 HA2 GLY 21 1.977 2.417 -6.790
148 HA3 GLY 21 HA1 GLY 21 2.131 3.816 -5.737
149 H SER 22 HN SER 22 4.425 3.594 -5.871
150 HA SER 22 HA SER 22 5.593 1.222 -4.649
151 HB2 SER 22 HB2 SER 22 7.719 2.798 -5.232
152 HB3 SER 22 HB1 SER 22 6.986 1.672 -6.375
153 HG SER 22 HG SER 22 7.275 4.198 -6.744
154 H CYS 23 HN CYS 23 6.865 1.245 -2.845
155 HA CYS 23 HA CYS 23 6.419 3.489 -1.006
156 HB2 CYS 23 HB2 CYS 23 5.672 1.311 -0.224
157 HB3 CYS 23 HB1 CYS 23 7.245 0.619 -0.554
158 H PHE 24 HN PHE 24 8.519 2.998 0.741
159 HA PHE 24 HA PHE 24 10.640 4.370 -0.403
160 HB2 PHE 24 HB2 PHE 24 10.196 4.198 2.044
161 HB3 PHE 24 HB1 PHE 24 10.717 2.519 1.972
162 HD1 PHE 24 HD1 PHE 24 12.039 5.768 0.700
163 HD2 PHE 24 HD2 PHE 24 12.804 2.185 2.863
164 HE1 PHE 24 HE1 PHE 24 14.365 6.484 1.060
165 HE2 PHE 24 HE2 PHE 24 15.125 2.898 3.230
166 HZ PHE 24 HZ PHE 24 15.910 5.048 2.329
167 H GLY 25 HN GLY 25 11.670 3.632 -2.076
168 HA2 GLY 25 HA2 GLY 25 12.999 2.331 -3.347
169 HA3 GLY 25 HA1 GLY 25 13.367 1.404 -1.917
170 H PHE 26 HN PHE 26 13.243 -0.566 -2.594
171 HA PHE 26 HA PHE 26 11.653 -1.701 -4.542
172 HB2 PHE 26 HB2 PHE 26 12.212 -3.857 -3.248
173 HB3 PHE 26 HB1 PHE 26 13.547 -2.894 -3.856
174 HD1 PHE 26 HD1 PHE 26 12.016 -1.294 -1.099
175 HD2 PHE 26 HD2 PHE 26 14.761 -4.392 -2.077
176 HE1 PHE 26 HE1 PHE 26 12.950 -1.201 1.174
177 HE2 PHE 26 HE2 PHE 26 15.693 -4.317 0.172
178 HZ PHE 26 HZ PHE 26 14.853 -2.649 1.784
179 H ARG 27 HN ARG 27 10.630 -0.670 -1.455
180 HA ARG 27 HA ARG 27 8.688 -2.667 -0.975
181 HB2 ARG 27 HB2 ARG 27 9.109 0.073 0.153
182 HB3 ARG 27 HB1 ARG 27 7.697 -0.895 0.586
183 HG2 ARG 27 HG2 ARG 27 9.221 -2.713 1.244
184 HG3 ARG 27 HG1 ARG 27 10.570 -1.637 0.958
185 HD2 ARG 27 HD2 ARG 27 8.335 -1.038 2.870
186 HD3 ARG 27 HD1 ARG 27 9.824 -1.846 3.345
187 HE ARG 27 HE ARG 27 10.426 0.595 2.042
188 HH11 ARG 27 HH11 ARG 27 9.043 -0.675 5.001
189 HH12 ARG 27 HH12 ARG 27 9.620 0.616 6.000
190 HH21 ARG 27 HH21 ARG 27 11.208 2.340 3.418
191 HH22 ARG 27 HH22 ARG 27 10.833 2.320 5.102
192 H SER 28 HN SER 28 6.399 -2.389 -0.885
193 HA SER 28 HA SER 28 5.435 -0.894 -3.224
194 HB2 SER 28 HB2 SER 28 4.365 -3.403 -1.897
195 HB3 SER 28 HB1 SER 28 3.631 -2.605 -3.293
196 HG SER 28 HG SER 28 5.343 -4.473 -3.429
197 H CYS 29 HN CYS 29 3.739 0.472 -2.970
198 HA CYS 29 HA CYS 29 2.989 1.110 -0.232
199 HB2 CYS 29 HB2 CYS 29 3.294 2.609 -2.693
200 HB3 CYS 29 HB1 CYS 29 1.718 2.905 -1.970
201 H CYS 30 HN CYS 30 1.132 0.496 0.608
202 HA CYS 30 HA CYS 30 -0.965 -0.466 -1.207
203 HB2 CYS 30 HB2 CYS 30 -0.604 -1.457 1.599
204 HB3 CYS 30 HB1 CYS 30 -1.388 -2.240 0.234
205 H ALA 31 HN ALA 31 -3.012 -0.060 -0.724
206 HA ALA 31 HA ALA 31 -3.668 1.692 1.510
207 HB1 ALA 31 HB1 ALA 31 -3.784 2.344 -1.361
208 HB2 ALA 31 HB2 ALA 31 -3.588 3.402 0.030
209 HB3 ALA 31 HB3 ALA 31 -5.187 2.797 -0.405
210 H TRP 32 HN TRP 32 -6.231 1.862 1.483
211 HA TRP 32 HA TRP 32 -7.077 -0.880 1.351
212 HB2 TRP 32 HB2 TRP 32 -7.900 1.548 2.779
213 HB3 TRP 32 HB1 TRP 32 -9.185 0.387 2.435
214 HD1 TRP 32 HD1 TRP 32 -6.173 0.953 4.664
215 HE1 TRP 32 HE1 TRP 32 -5.993 -1.023 6.319
216 HE3 TRP 32 HE3 TRP 32 -9.614 -2.076 2.573
217 HZ2 TRP 32 HZ2 TRP 32 -7.197 -3.587 6.655
218 HZ3 TRP 32 HZ3 TRP 32 -10.076 -4.290 3.580
219 HH2 TRP 32 HH2 TRP 32 -8.881 -5.023 5.581
220 HA PRO 33 HA PRO 33 -9.205 -0.862 -2.496
221 HB2 PRO 33 HB2 PRO 33 -11.229 -2.593 -1.776
222 HB3 PRO 33 HB1 PRO 33 -9.594 -3.080 -2.237
223 HG2 PRO 33 HG2 PRO 33 -10.704 -2.588 0.518
224 HG3 PRO 33 HG1 PRO 33 -9.770 -3.986 -0.072
225 HD2 PRO 33 HD2 PRO 33 -8.501 -2.142 1.262
226 HD3 PRO 33 HD1 PRO 33 -7.796 -2.688 -0.264
227 H TRP 34 HN TRP 34 -10.972 0.216 0.340
228 HA TRP 34 HA TRP 34 -13.517 0.491 -0.182
229 HB2 TRP 34 HB2 TRP 34 -13.039 3.184 0.249
230 HB3 TRP 34 HB1 TRP 34 -13.299 1.956 1.481
231 HD1 TRP 34 HD1 TRP 34 -11.538 1.935 3.254
232 HE1 TRP 34 HE1 TRP 34 -9.077 2.529 3.416
233 HE3 TRP 34 HE3 TRP 34 -10.684 3.419 -1.564
234 HZ2 TRP 34 HZ2 TRP 34 -7.008 3.429 1.755
235 HZ3 TRP 34 HZ3 TRP 34 -8.425 4.092 -2.212
236 HH2 TRP 34 HH2 TRP 34 -6.628 4.122 -0.585
237 H ASN 35 HN ASN 35 -11.156 2.160 -2.119
238 HA ASN 35 HA ASN 35 -13.039 2.521 -4.265
239 HB2 ASN 35 HB2 ASN 35 -12.917 4.933 -4.327
240 HB3 ASN 35 HB1 ASN 35 -13.428 4.425 -2.725
241 HD21 ASN 35 HD21 ASN 35 -12.349 5.135 -0.998
242 HD22 ASN 35 HD22 ASN 35 -10.857 6.002 -1.052
243 H ALA 36 HN ALA 36 -10.556 1.184 -3.675
244 HA ALA 36 HA ALA 36 -8.943 2.286 -5.858
245 HB1 ALA 36 HB1 ALA 36 -8.097 1.756 -3.068
246 HB2 ALA 36 HB2 ALA 36 -7.557 2.992 -4.202
247 HB3 ALA 36 HB3 ALA 36 -6.969 1.339 -4.359
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 5.063 0.924 7.281
2 H2 LEU 1 HT2 LEU 1 4.231 1.421 8.663
3 H3 LEU 1 HT3 LEU 1 5.905 1.618 8.566
4 HA LEU 1 HA LEU 1 4.889 3.727 8.204
5 HB2 LEU 1 HB2 LEU 1 6.885 3.079 6.869
6 HB3 LEU 1 HB1 LEU 1 5.815 2.504 5.603
7 HG LEU 1 HG LEU 1 4.901 4.860 5.463
8 HD11 LEU 1 HD11 LEU 1 6.367 6.643 6.295
9 HD12 LEU 1 HD12 LEU 1 7.333 5.436 7.143
10 HD13 LEU 1 HD13 LEU 1 5.648 5.697 7.596
11 HD21 LEU 1 HD21 LEU 1 6.457 5.469 3.881
12 HD22 LEU 1 HD22 LEU 1 6.715 3.730 3.997
13 HD23 LEU 1 HD23 LEU 1 7.816 4.840 4.813
14 H PHE 2 HN PHE 2 3.208 4.923 7.434
15 HA PHE 2 HA PHE 2 0.963 3.500 6.382
16 HB2 PHE 2 HB2 PHE 2 0.855 5.479 8.000
17 HB3 PHE 2 HB1 PHE 2 1.201 6.497 6.607
18 HD1 PHE 2 HD2 PHE 2 -0.415 6.686 4.774
19 HD2 PHE 2 HD1 PHE 2 -1.324 4.504 8.319
20 HE1 PHE 2 HE2 PHE 2 -2.802 6.725 4.185
21 HE2 PHE 2 HE1 PHE 2 -3.709 4.534 7.727
22 HZ PHE 2 HZ PHE 2 -4.466 5.667 5.728
23 H CYS 3 HN CYS 3 -0.206 4.359 4.493
24 HA CYS 3 HA CYS 3 1.420 5.589 2.416
25 HB2 CYS 3 HB2 CYS 3 1.755 3.194 2.016
26 HB3 CYS 3 HB1 CYS 3 0.014 2.936 2.047
27 H LYS 4 HN LYS 4 0.130 6.713 0.919
28 HA LYS 4 HA LYS 4 -2.181 7.854 1.799
29 HB2 LYS 4 HB2 LYS 4 -1.485 7.319 -1.094
30 HB3 LYS 4 HB1 LYS 4 -2.657 8.500 -0.526
31 HG2 LYS 4 HG2 LYS 4 -0.778 9.592 0.743
32 HG3 LYS 4 HG1 LYS 4 0.320 8.523 -0.127
33 HD2 LYS 4 HD2 LYS 4 0.291 10.569 -1.322
34 HD3 LYS 4 HD1 LYS 4 -0.670 9.427 -2.260
35 HE2 LYS 4 HE2 LYS 4 -2.720 10.381 -1.344
36 HE3 LYS 4 HE1 LYS 4 -1.772 11.497 -0.364
37 HZ1 LYS 4 HZ1 LYS 4 -2.619 11.785 -3.027
38 HZ2 LYS 4 HZ2 LYS 4 -0.931 11.791 -3.000
39 HZ3 LYS 4 HZ3 LYS 4 -1.796 12.897 -2.060
40 H GLY 5 HN GLY 5 -3.386 6.188 2.798
41 HA2 GLY 5 HA2 GLY 5 -5.712 5.435 2.241
42 HA3 GLY 5 HA1 GLY 5 -4.957 4.536 0.946
43 H GLY 6 HN GLY 6 -2.642 3.755 2.559
44 HA2 GLY 6 HA2 GLY 6 -3.768 2.171 4.726
45 HA3 GLY 6 HA1 GLY 6 -3.181 1.263 3.346
46 H SER 7 HN SER 7 -1.136 0.591 3.455
47 HA SER 7 HA SER 7 0.866 2.212 4.784
48 HB2 SER 7 HB2 SER 7 0.307 -0.621 5.679
49 HB3 SER 7 HB1 SER 7 1.554 0.448 6.317
50 HG SER 7 HG SER 7 -0.667 1.802 6.520
51 H CYS 8 HN CYS 8 3.049 1.066 4.683
52 HA CYS 8 HA CYS 8 3.426 0.086 1.957
53 HB2 CYS 8 HB2 CYS 8 5.317 1.181 4.042
54 HB3 CYS 8 HB1 CYS 8 5.852 0.540 2.492
55 H HIS 9 HN HIS 9 4.448 -1.797 1.455
56 HA HIS 9 HA HIS 9 5.423 -3.550 3.550
57 HB2 HIS 9 HB2 HIS 9 3.305 -4.508 1.628
58 HB3 HIS 9 HB1 HIS 9 4.000 -5.377 2.984
59 HD1 HIS 9 HD1 HIS 9 3.106 -4.776 5.360
60 HD2 HIS 9 HD2 HIS 9 1.342 -2.709 2.236
61 HE1 HIS 9 HE1 HIS 9 1.061 -3.692 6.348
62 HE2 HIS 9 HE2 HIS 9 -0.085 -2.590 4.403
63 H PHE 10 HN PHE 10 7.248 -4.387 2.802
64 HA PHE 10 HA PHE 10 8.041 -4.076 0.127
65 HB2 PHE 10 HB2 PHE 10 9.613 -4.234 2.095
66 HB3 PHE 10 HB1 PHE 10 9.258 -5.954 2.157
67 HD1 PHE 10 HD1 PHE 10 9.303 -4.493 -1.134
68 HD2 PHE 10 HD2 PHE 10 11.705 -6.277 1.882
69 HE1 PHE 10 HE1 PHE 10 11.074 -4.915 -2.781
70 HE2 PHE 10 HE2 PHE 10 13.462 -6.692 0.271
71 HZ PHE 10 HZ PHE 10 13.065 -6.038 -2.182
72 H GLY 11 HN GLY 11 7.706 -5.358 -1.598
73 HA2 GLY 11 HA2 GLY 11 7.713 -7.579 -2.556
74 HA3 GLY 11 HA1 GLY 11 6.868 -8.144 -1.131
75 H GLY 12 HN GLY 12 4.758 -6.584 -0.830
76 HA2 GLY 12 HA2 GLY 12 3.442 -5.915 -3.260
77 HA3 GLY 12 HA1 GLY 12 2.916 -7.472 -2.645
78 H CYS 13 HN CYS 13 0.978 -7.206 -1.759
79 HA CYS 13 HA CYS 13 0.675 -5.282 0.397
80 HB2 CYS 13 HB2 CYS 13 -1.039 -5.296 -2.080
81 HB3 CYS 13 HB1 CYS 13 -1.481 -4.455 -0.588
82 HA PRO 14 HA PRO 14 -1.639 -8.574 2.210
83 HB2 PRO 14 HB2 PRO 14 -3.358 -6.453 3.352
84 HB3 PRO 14 HB1 PRO 14 -2.439 -7.711 4.178
85 HG2 PRO 14 HG2 PRO 14 -1.669 -5.145 4.217
86 HG3 PRO 14 HG1 PRO 14 -0.495 -6.474 4.182
87 HD2 PRO 14 HD2 PRO 14 -1.361 -4.646 1.990
88 HD3 PRO 14 HD1 PRO 14 0.232 -5.361 2.305
89 H SER 15 HN SER 15 -3.285 -9.710 1.397
90 HA SER 15 HA SER 15 -4.655 -9.271 -0.824
91 HB2 SER 15 HB2 SER 15 -6.460 -10.780 0.112
92 HB3 SER 15 HB1 SER 15 -4.813 -11.392 0.263
93 HG SER 15 HG SER 15 -6.544 -11.106 2.183
94 H HIS 16 HN HIS 16 -5.491 -7.952 2.301
95 HA HIS 16 HA HIS 16 -8.065 -7.005 1.634
96 HB2 HIS 16 HB2 HIS 16 -6.557 -5.409 3.582
97 HB3 HIS 16 HB1 HIS 16 -8.154 -6.130 3.713
98 HD1 HIS 16 HD1 HIS 16 -4.905 -6.407 5.087
99 HD2 HIS 16 HD2 HIS 16 -7.857 -9.111 4.026
100 HE1 HIS 16 HE1 HIS 16 -4.326 -8.527 6.270
101 HE2 HIS 16 HE2 HIS 16 -6.039 -10.200 5.510
102 H LEU 17 HN LEU 17 -4.908 -5.424 1.703
103 HA LEU 17 HA LEU 17 -5.918 -2.918 0.884
104 HB2 LEU 17 HB2 LEU 17 -3.080 -3.911 0.933
105 HB3 LEU 17 HB1 LEU 17 -3.567 -2.246 0.710
106 HG LEU 17 HG LEU 17 -3.856 -3.935 3.181
107 HD11 LEU 17 HD11 LEU 17 -2.783 -1.790 4.113
108 HD12 LEU 17 HD12 LEU 17 -2.357 -1.464 2.435
109 HD13 LEU 17 HD13 LEU 17 -1.778 -2.934 3.224
110 HD21 LEU 17 HD21 LEU 17 -5.955 -2.855 3.052
111 HD22 LEU 17 HD22 LEU 17 -5.226 -1.346 2.495
112 HD23 LEU 17 HD23 LEU 17 -4.972 -1.888 4.152
113 H ILE 18 HN ILE 18 -4.464 -1.839 -0.887
114 HA ILE 18 HA ILE 18 -4.601 -3.318 -3.387
115 HB ILE 18 HB ILE 18 -5.514 -0.973 -4.267
116 HG12 ILE 18 HG12 ILE 18 -7.331 -0.298 -2.525
117 HG13 ILE 18 HG11 ILE 18 -6.255 -1.036 -1.372
118 HG21 ILE 18 HG21 ILE 18 -7.841 -1.847 -4.005
119 HG22 ILE 18 HG22 ILE 18 -7.168 -3.146 -3.021
120 HG23 ILE 18 HG23 ILE 18 -6.690 -2.982 -4.711
121 HD11 ILE 18 HD11 ILE 18 -4.592 0.537 -1.743
122 HD12 ILE 18 HD12 ILE 18 -6.081 1.473 -1.750
123 HD13 ILE 18 HD13 ILE 18 -5.289 1.057 -3.269
124 H LYS 19 HN LYS 19 -2.921 -2.840 -4.704
125 HA LYS 19 HA LYS 19 -0.697 -1.465 -3.667
126 HB2 LYS 19 HB2 LYS 19 -0.529 -3.307 -5.284
127 HB3 LYS 19 HB1 LYS 19 -1.283 -2.303 -6.512
128 HG2 LYS 19 HG2 LYS 19 1.057 -2.327 -6.919
129 HG3 LYS 19 HG1 LYS 19 0.633 -0.729 -6.304
130 HD2 LYS 19 HD2 LYS 19 1.587 -1.159 -4.207
131 HD3 LYS 19 HD1 LYS 19 1.636 -2.901 -4.491
132 HE2 LYS 19 HE2 LYS 19 3.198 -0.961 -6.170
133 HE3 LYS 19 HE1 LYS 19 3.840 -1.616 -4.669
134 HZ1 LYS 19 HZ1 LYS 19 3.880 -2.784 -7.186
135 HZ2 LYS 19 HZ2 LYS 19 2.819 -3.711 -6.253
136 HZ3 LYS 19 HZ3 LYS 19 4.407 -3.460 -5.728
137 H VAL 20 HN VAL 20 -1.121 0.674 -3.193
138 HA VAL 20 HA VAL 20 -2.400 2.437 -5.050
139 HB VAL 20 HB VAL 20 -1.057 4.160 -3.407
140 HG11 VAL 20 HG11 VAL 20 -3.737 2.840 -3.150
141 HG12 VAL 20 HG12 VAL 20 -3.342 4.460 -3.729
142 HG13 VAL 20 HG13 VAL 20 -3.208 4.083 -2.009
143 HG21 VAL 20 HG21 VAL 20 -0.033 2.480 -2.047
144 HG22 VAL 20 HG22 VAL 20 -1.569 1.649 -1.821
145 HG23 VAL 20 HG23 VAL 20 -1.313 3.238 -1.103
146 H GLY 21 HN GLY 21 0.858 1.484 -4.345
147 HA2 GLY 21 HA2 GLY 21 1.947 2.126 -6.789
148 HA3 GLY 21 HA1 GLY 21 2.162 3.566 -5.802
149 H SER 22 HN SER 22 4.412 3.360 -5.782
150 HA SER 22 HA SER 22 5.450 1.045 -4.294
151 HB2 SER 22 HB2 SER 22 7.695 1.864 -5.243
152 HB3 SER 22 HB1 SER 22 6.569 1.107 -6.366
153 HG SER 22 HG SER 22 7.235 3.829 -6.071
154 H CYS 23 HN CYS 23 6.737 1.370 -2.510
155 HA CYS 23 HA CYS 23 6.533 4.030 -1.322
156 HB2 CYS 23 HB2 CYS 23 7.097 1.328 -0.108
157 HB3 CYS 23 HB1 CYS 23 7.164 2.840 0.792
158 H PHE 24 HN PHE 24 8.658 3.809 0.525
159 HA PHE 24 HA PHE 24 10.718 4.898 -0.930
160 HB2 PHE 24 HB2 PHE 24 10.407 5.059 1.565
161 HB3 PHE 24 HB1 PHE 24 11.055 3.429 1.685
162 HD1 PHE 24 HD1 PHE 24 12.104 6.365 -0.363
163 HD2 PHE 24 HD2 PHE 24 13.139 3.558 2.662
164 HE1 PHE 24 HE1 PHE 24 14.385 7.278 -0.304
165 HE2 PHE 24 HE2 PHE 24 15.422 4.470 2.729
166 HZ PHE 24 HZ PHE 24 16.041 6.348 1.248
167 H GLY 25 HN GLY 25 11.567 3.951 -2.556
168 HA2 GLY 25 HA2 GLY 25 12.898 2.560 -3.726
169 HA3 GLY 25 HA1 GLY 25 13.307 1.752 -2.237
170 H PHE 26 HN PHE 26 13.198 -0.231 -2.766
171 HA PHE 26 HA PHE 26 11.639 -1.572 -4.579
172 HB2 PHE 26 HB2 PHE 26 12.275 -3.537 -2.898
173 HB3 PHE 26 HB1 PHE 26 13.480 -2.754 -3.910
174 HD1 PHE 26 HD1 PHE 26 11.986 -1.089 -0.996
175 HD2 PHE 26 HD2 PHE 26 15.331 -3.269 -2.449
176 HE1 PHE 26 HE1 PHE 26 13.249 -0.409 0.979
177 HE2 PHE 26 HE2 PHE 26 16.616 -2.606 -0.454
178 HZ PHE 26 HZ PHE 26 15.578 -1.177 1.263
179 H ARG 27 HN ARG 27 10.627 -0.473 -1.486
180 HA ARG 27 HA ARG 27 8.739 -2.536 -1.018
181 HB2 ARG 27 HB2 ARG 27 9.181 0.154 0.216
182 HB3 ARG 27 HB1 ARG 27 7.831 -0.879 0.691
183 HG2 ARG 27 HG2 ARG 27 9.365 -2.664 1.253
184 HG3 ARG 27 HG1 ARG 27 10.723 -1.690 0.731
185 HD2 ARG 27 HD2 ARG 27 8.854 -0.894 2.947
186 HD3 ARG 27 HD1 ARG 27 10.372 -1.756 3.203
187 HE ARG 27 HE ARG 27 10.720 0.601 1.646
188 HH11 ARG 27 HH11 ARG 27 10.326 -0.583 4.900
189 HH12 ARG 27 HH12 ARG 27 11.163 0.742 5.634
190 HH21 ARG 27 HH21 ARG 27 11.845 2.355 2.605
191 HH22 ARG 27 HH22 ARG 27 12.027 2.421 4.324
192 H SER 28 HN SER 28 6.492 -2.413 -0.940
193 HA SER 28 HA SER 28 5.411 -0.821 -3.135
194 HB2 SER 28 HB2 SER 28 4.620 -3.442 -1.881
195 HB3 SER 28 HB1 SER 28 3.519 -2.556 -2.943
196 HG SER 28 HG SER 28 5.801 -3.989 -3.533
197 H CYS 29 HN CYS 29 3.701 0.478 -2.877
198 HA CYS 29 HA CYS 29 2.992 1.213 -0.146
199 HB2 CYS 29 HB2 CYS 29 3.600 2.713 -2.360
200 HB3 CYS 29 HB1 CYS 29 1.846 2.704 -2.426
201 H CYS 30 HN CYS 30 1.117 0.529 0.723
202 HA CYS 30 HA CYS 30 -0.946 -0.478 -1.099
203 HB2 CYS 30 HB2 CYS 30 -0.368 -1.494 1.676
204 HB3 CYS 30 HB1 CYS 30 -1.378 -2.238 0.436
205 H ALA 31 HN ALA 31 -2.937 0.063 -0.781
206 HA ALA 31 HA ALA 31 -3.690 1.679 1.540
207 HB1 ALA 31 HB1 ALA 31 -3.565 3.371 0.005
208 HB2 ALA 31 HB2 ALA 31 -5.226 2.835 -0.241
209 HB3 ALA 31 HB3 ALA 31 -3.961 2.316 -1.344
210 H TRP 32 HN TRP 32 -6.255 1.815 1.478
211 HA TRP 32 HA TRP 32 -7.079 -0.938 1.373
212 HB2 TRP 32 HB2 TRP 32 -7.989 1.549 2.664
213 HB3 TRP 32 HB1 TRP 32 -9.201 0.294 2.403
214 HD1 TRP 32 HD1 TRP 32 -6.136 1.134 4.516
215 HE1 TRP 32 HE1 TRP 32 -5.901 -0.662 6.357
216 HE3 TRP 32 HE3 TRP 32 -9.603 -2.091 2.822
217 HZ2 TRP 32 HZ2 TRP 32 -7.075 -3.185 6.971
218 HZ3 TRP 32 HZ3 TRP 32 -10.021 -4.200 4.047
219 HH2 TRP 32 HH2 TRP 32 -8.776 -4.732 6.087
220 HA PRO 33 HA PRO 33 -9.071 -0.997 -2.536
221 HB2 PRO 33 HB2 PRO 33 -11.203 -2.617 -1.888
222 HB3 PRO 33 HB1 PRO 33 -9.569 -3.177 -2.262
223 HG2 PRO 33 HG2 PRO 33 -10.824 -2.649 0.414
224 HG3 PRO 33 HG1 PRO 33 -9.844 -4.037 -0.104
225 HD2 PRO 33 HD2 PRO 33 -8.728 -2.129 1.326
226 HD3 PRO 33 HD1 PRO 33 -7.857 -2.776 -0.071
227 H TRP 34 HN TRP 34 -11.086 0.079 0.159
228 HA TRP 34 HA TRP 34 -13.523 0.491 -0.549
229 HB2 TRP 34 HB2 TRP 34 -13.024 3.162 -0.106
230 HB3 TRP 34 HB1 TRP 34 -13.329 1.943 1.125
231 HD1 TRP 34 HD1 TRP 34 -11.607 1.871 2.940
232 HE1 TRP 34 HE1 TRP 34 -9.151 2.474 3.172
233 HE3 TRP 34 HE3 TRP 34 -10.631 3.427 -1.835
234 HZ2 TRP 34 HZ2 TRP 34 -7.051 3.396 1.591
235 HZ3 TRP 34 HZ3 TRP 34 -8.356 4.115 -2.403
236 HH2 TRP 34 HH2 TRP 34 -6.608 4.123 -0.722
237 H ASN 35 HN ASN 35 -11.000 2.119 -2.400
238 HA ASN 35 HA ASN 35 -12.884 2.526 -4.587
239 HB2 ASN 35 HB2 ASN 35 -11.317 4.937 -3.837
240 HB3 ASN 35 HB1 ASN 35 -12.906 4.829 -4.581
241 HD21 ASN 35 HD21 ASN 35 -11.159 5.335 -1.732
242 HD22 ASN 35 HD22 ASN 35 -12.495 5.399 -0.634
243 H ALA 36 HN ALA 36 -10.232 1.188 -3.857
244 HA ALA 36 HA ALA 36 -8.457 2.493 -5.774
245 HB1 ALA 36 HB1 ALA 36 -6.758 1.736 -4.549
246 HB2 ALA 36 HB2 ALA 36 -7.443 0.118 -4.434
247 HB3 ALA 36 HB3 ALA 36 -7.976 1.382 -3.320
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 5.779 1.572 6.513
2 H2 LEU 1 HT2 LEU 1 4.711 2.411 7.510
3 H3 LEU 1 HT3 LEU 1 6.373 2.672 7.647
4 HA LEU 1 HA LEU 1 5.862 4.483 6.411
5 HB2 LEU 1 HB2 LEU 1 7.279 2.706 5.144
6 HB3 LEU 1 HB1 LEU 1 5.835 2.459 4.181
7 HG LEU 1 HG LEU 1 7.423 3.947 3.069
8 HD11 LEU 1 HD11 LEU 1 4.818 4.213 3.037
9 HD12 LEU 1 HD12 LEU 1 5.861 5.398 2.251
10 HD13 LEU 1 HD13 LEU 1 5.183 5.739 3.842
11 HD21 LEU 1 HD21 LEU 1 6.971 5.788 5.409
12 HD22 LEU 1 HD22 LEU 1 7.888 6.163 3.954
13 HD23 LEU 1 HD23 LEU 1 8.460 4.913 5.056
14 H PHE 2 HN PHE 2 4.037 5.661 6.057
15 HA PHE 2 HA PHE 2 1.614 4.237 5.456
16 HB2 PHE 2 HB2 PHE 2 1.774 6.249 7.063
17 HB3 PHE 2 HB1 PHE 2 1.776 7.222 5.594
18 HD1 PHE 2 HD2 PHE 2 -0.168 7.151 4.050
19 HD2 PHE 2 HD1 PHE 2 -0.216 5.229 7.846
20 HE1 PHE 2 HE2 PHE 2 -2.616 6.980 3.922
21 HE2 PHE 2 HE1 PHE 2 -2.668 5.051 7.725
22 HZ PHE 2 HZ PHE 2 -3.870 5.930 5.764
23 H CYS 3 HN CYS 3 0.196 4.858 3.768
24 HA CYS 3 HA CYS 3 1.367 6.199 1.463
25 HB2 CYS 3 HB2 CYS 3 0.138 3.440 1.279
26 HB3 CYS 3 HB1 CYS 3 0.836 4.374 -0.041
27 H LYS 4 HN LYS 4 -0.182 7.249 0.263
28 HA LYS 4 HA LYS 4 -2.455 8.172 1.359
29 HB2 LYS 4 HB2 LYS 4 -2.133 7.554 -1.580
30 HB3 LYS 4 HB1 LYS 4 -3.259 8.708 -0.883
31 HG2 LYS 4 HG2 LYS 4 -1.394 10.045 -0.061
32 HG3 LYS 4 HG1 LYS 4 -0.257 8.879 -0.732
33 HD2 LYS 4 HD2 LYS 4 -0.293 10.506 -2.369
34 HD3 LYS 4 HD1 LYS 4 -1.493 9.362 -2.970
35 HE2 LYS 4 HE2 LYS 4 -2.072 11.889 -1.425
36 HE3 LYS 4 HE1 LYS 4 -2.266 11.675 -3.161
37 HZ1 LYS 4 HZ1 LYS 4 -3.852 9.817 -2.552
38 HZ2 LYS 4 HZ2 LYS 4 -4.383 11.392 -2.265
39 HZ3 LYS 4 HZ3 LYS 4 -3.833 10.445 -0.983
40 H GLY 5 HN GLY 5 -3.371 6.402 2.558
41 HA2 GLY 5 HA2 GLY 5 -5.744 5.485 2.145
42 HA3 GLY 5 HA1 GLY 5 -4.922 4.498 0.955
43 H GLY 6 HN GLY 6 -2.566 3.992 2.460
44 HA2 GLY 6 HA2 GLY 6 -3.369 2.761 4.954
45 HA3 GLY 6 HA1 GLY 6 -3.007 1.628 3.659
46 H SER 7 HN SER 7 -1.011 0.840 3.800
47 HA SER 7 HA SER 7 1.203 2.654 4.309
48 HB2 SER 7 HB2 SER 7 0.873 0.115 5.918
49 HB3 SER 7 HB1 SER 7 2.140 1.323 6.090
50 HG SER 7 HG SER 7 -0.188 2.570 6.292
51 H CYS 8 HN CYS 8 3.318 1.571 3.865
52 HA CYS 8 HA CYS 8 2.986 -0.144 1.542
53 HB2 CYS 8 HB2 CYS 8 4.884 0.793 0.705
54 HB3 CYS 8 HB1 CYS 8 4.380 2.096 1.749
55 H HIS 9 HN HIS 9 3.816 -2.099 1.299
56 HA HIS 9 HA HIS 9 5.286 -3.289 3.557
57 HB2 HIS 9 HB2 HIS 9 3.233 -4.729 1.867
58 HB3 HIS 9 HB1 HIS 9 4.031 -5.324 3.317
59 HD1 HIS 9 HD1 HIS 9 2.943 -4.763 5.544
60 HD2 HIS 9 HD2 HIS 9 1.280 -2.719 2.346
61 HE1 HIS 9 HE1 HIS 9 0.839 -3.717 6.437
62 HE2 HIS 9 HE2 HIS 9 -0.030 -2.313 4.534
63 H PHE 10 HN PHE 10 7.037 -4.447 2.960
64 HA PHE 10 HA PHE 10 7.914 -4.253 0.283
65 HB2 PHE 10 HB2 PHE 10 9.308 -4.385 2.503
66 HB3 PHE 10 HB1 PHE 10 9.179 -6.121 2.258
67 HD1 PHE 10 HD1 PHE 10 9.166 -4.493 -0.853
68 HD2 PHE 10 HD2 PHE 10 11.775 -5.725 2.269
69 HE1 PHE 10 HE1 PHE 10 11.069 -4.429 -2.402
70 HE2 PHE 10 HE2 PHE 10 13.660 -5.666 0.747
71 HZ PHE 10 HZ PHE 10 13.321 -4.990 -1.617
72 H GLY 11 HN GLY 11 7.844 -5.733 -1.340
73 HA2 GLY 11 HA2 GLY 11 7.768 -7.992 -2.145
74 HA3 GLY 11 HA1 GLY 11 6.871 -8.437 -0.704
75 H GLY 12 HN GLY 12 4.950 -6.395 -0.718
76 HA2 GLY 12 HA2 GLY 12 3.652 -5.927 -3.105
77 HA3 GLY 12 HA1 GLY 12 3.090 -7.490 -2.536
78 H CYS 13 HN CYS 13 1.135 -7.230 -1.719
79 HA CYS 13 HA CYS 13 0.754 -5.368 0.472
80 HB2 CYS 13 HB2 CYS 13 -0.867 -5.284 -2.068
81 HB3 CYS 13 HB1 CYS 13 -1.359 -4.504 -0.568
82 HA PRO 14 HA PRO 14 -1.582 -8.751 2.091
83 HB2 PRO 14 HB2 PRO 14 -3.351 -6.651 3.212
84 HB3 PRO 14 HB1 PRO 14 -2.509 -7.960 4.040
85 HG2 PRO 14 HG2 PRO 14 -1.694 -5.410 4.217
86 HG3 PRO 14 HG1 PRO 14 -0.554 -6.766 4.221
87 HD2 PRO 14 HD2 PRO 14 -1.180 -4.822 2.062
88 HD3 PRO 14 HD1 PRO 14 0.341 -5.660 2.423
89 H SER 15 HN SER 15 -3.191 -9.873 1.171
90 HA SER 15 HA SER 15 -4.444 -9.380 -1.107
91 HB2 SER 15 HB2 SER 15 -6.381 -10.829 -0.184
92 HB3 SER 15 HB1 SER 15 -4.761 -11.520 -0.200
93 HG SER 15 HG SER 15 -4.584 -11.176 1.970
94 H HIS 16 HN HIS 16 -5.444 -8.107 1.971
95 HA HIS 16 HA HIS 16 -7.975 -7.121 1.193
96 HB2 HIS 16 HB2 HIS 16 -6.548 -5.638 3.290
97 HB3 HIS 16 HB1 HIS 16 -8.145 -6.377 3.322
98 HD1 HIS 16 HD1 HIS 16 -5.338 -6.642 5.199
99 HD2 HIS 16 HD2 HIS 16 -7.422 -9.461 2.993
100 HE1 HIS 16 HE1 HIS 16 -4.600 -8.861 6.065
101 HE2 HIS 16 HE2 HIS 16 -6.046 -10.547 4.892
102 H LEU 17 HN LEU 17 -4.832 -5.566 1.578
103 HA LEU 17 HA LEU 17 -5.766 -3.030 0.732
104 HB2 LEU 17 HB2 LEU 17 -2.947 -4.018 1.073
105 HB3 LEU 17 HB1 LEU 17 -3.421 -2.345 0.846
106 HG LEU 17 HG LEU 17 -3.976 -4.108 3.214
107 HD11 LEU 17 HD11 LEU 17 -2.593 -2.727 4.404
108 HD12 LEU 17 HD12 LEU 17 -2.825 -1.364 3.305
109 HD13 LEU 17 HD13 LEU 17 -1.801 -2.723 2.830
110 HD21 LEU 17 HD21 LEU 17 -5.217 -1.473 2.473
111 HD22 LEU 17 HD22 LEU 17 -5.167 -2.082 4.126
112 HD23 LEU 17 HD23 LEU 17 -6.030 -2.986 2.882
113 H ILE 18 HN ILE 18 -5.303 -1.857 -0.951
114 HA ILE 18 HA ILE 18 -4.838 -3.202 -3.483
115 HB ILE 18 HB ILE 18 -5.666 -0.838 -4.311
116 HG12 ILE 18 HG12 ILE 18 -7.496 -0.093 -2.615
117 HG13 ILE 18 HG11 ILE 18 -6.505 -0.894 -1.425
118 HG21 ILE 18 HG21 ILE 18 -7.332 -3.023 -3.136
119 HG22 ILE 18 HG22 ILE 18 -6.899 -2.746 -4.824
120 HG23 ILE 18 HG23 ILE 18 -8.034 -1.663 -4.014
121 HD11 ILE 18 HD11 ILE 18 -5.388 1.190 -3.253
122 HD12 ILE 18 HD12 ILE 18 -4.727 0.578 -1.741
123 HD13 ILE 18 HD13 ILE 18 -6.170 1.588 -1.724
124 H LYS 19 HN LYS 19 -3.174 -2.639 -4.812
125 HA LYS 19 HA LYS 19 -0.933 -1.316 -3.645
126 HB2 LYS 19 HB2 LYS 19 -0.684 -3.201 -5.199
127 HB3 LYS 19 HB1 LYS 19 -1.408 -2.251 -6.483
128 HG2 LYS 19 HG2 LYS 19 0.970 -2.314 -6.780
129 HG3 LYS 19 HG1 LYS 19 0.485 -0.675 -6.344
130 HD2 LYS 19 HD2 LYS 19 1.312 -0.907 -4.150
131 HD3 LYS 19 HD1 LYS 19 1.470 -2.656 -4.308
132 HE2 LYS 19 HE2 LYS 19 3.018 -0.748 -6.038
133 HE3 LYS 19 HE1 LYS 19 3.605 -1.253 -4.457
134 HZ1 LYS 19 HZ1 LYS 19 2.844 -3.200 -6.545
135 HZ2 LYS 19 HZ2 LYS 19 3.773 -3.464 -5.160
136 HZ3 LYS 19 HZ3 LYS 19 4.403 -2.560 -6.438
137 H VAL 20 HN VAL 20 -1.046 0.825 -3.335
138 HA VAL 20 HA VAL 20 -2.369 2.553 -5.251
139 HB VAL 20 HB VAL 20 -1.237 4.339 -3.589
140 HG11 VAL 20 HG11 VAL 20 -3.330 4.078 -2.150
141 HG12 VAL 20 HG12 VAL 20 -3.748 2.732 -3.217
142 HG13 VAL 20 HG13 VAL 20 -3.562 4.355 -3.877
143 HG21 VAL 20 HG21 VAL 20 -0.061 2.531 -2.344
144 HG22 VAL 20 HG22 VAL 20 -1.632 1.929 -1.824
145 HG23 VAL 20 HG23 VAL 20 -1.100 3.539 -1.337
146 H GLY 21 HN GLY 21 0.865 1.658 -4.306
147 HA2 GLY 21 HA2 GLY 21 2.060 2.367 -6.721
148 HA3 GLY 21 HA1 GLY 21 2.283 3.722 -5.620
149 H SER 22 HN SER 22 4.581 3.302 -5.707
150 HA SER 22 HA SER 22 5.452 0.828 -4.408
151 HB2 SER 22 HB2 SER 22 6.589 1.591 -6.508
152 HB3 SER 22 HB1 SER 22 7.170 2.995 -5.619
153 HG SER 22 HG SER 22 8.727 1.345 -5.629
154 H CYS 23 HN CYS 23 7.731 1.597 -3.130
155 HA CYS 23 HA CYS 23 6.982 3.722 -1.266
156 HB2 CYS 23 HB2 CYS 23 6.029 1.657 -0.381
157 HB3 CYS 23 HB1 CYS 23 7.594 0.883 -0.460
158 H PHE 24 HN PHE 24 8.952 3.265 0.621
159 HA PHE 24 HA PHE 24 11.171 4.417 -0.590
160 HB2 PHE 24 HB2 PHE 24 10.484 4.819 1.748
161 HB3 PHE 24 HB1 PHE 24 10.969 3.177 2.146
162 HD1 PHE 24 HD1 PHE 24 12.571 5.909 0.163
163 HD2 PHE 24 HD2 PHE 24 12.868 3.197 3.427
164 HE1 PHE 24 HE1 PHE 24 14.860 6.690 0.596
165 HE2 PHE 24 HE2 PHE 24 15.160 3.975 3.867
166 HZ PHE 24 HZ PHE 24 16.150 5.748 2.447
167 H GLY 25 HN GLY 25 12.899 3.703 -1.393
168 HA2 GLY 25 HA2 GLY 25 14.596 2.385 -1.986
169 HA3 GLY 25 HA1 GLY 25 14.225 1.354 -0.637
170 H PHE 26 HN PHE 26 11.680 0.453 -1.463
171 HA PHE 26 HA PHE 26 11.644 -0.593 -4.080
172 HB2 PHE 26 HB2 PHE 26 12.282 -3.000 -3.194
173 HB3 PHE 26 HB1 PHE 26 13.527 -1.869 -3.704
174 HD1 PHE 26 HD1 PHE 26 11.867 -1.121 -0.586
175 HD2 PHE 26 HD2 PHE 26 15.127 -3.225 -2.324
176 HE1 PHE 26 HE1 PHE 26 12.923 -1.341 1.627
177 HE2 PHE 26 HE2 PHE 26 16.172 -3.466 -0.141
178 HZ PHE 26 HZ PHE 26 15.138 -2.339 1.840
179 H ARG 27 HN ARG 27 10.472 -0.404 -0.914
180 HA ARG 27 HA ARG 27 8.703 -2.583 -0.860
181 HB2 ARG 27 HB2 ARG 27 8.815 0.027 0.614
182 HB3 ARG 27 HB1 ARG 27 7.498 -1.112 0.873
183 HG2 ARG 27 HG2 ARG 27 9.024 -2.789 1.604
184 HG3 ARG 27 HG1 ARG 27 10.402 -1.785 1.171
185 HD2 ARG 27 HD2 ARG 27 8.347 -0.918 3.172
186 HD3 ARG 27 HD1 ARG 27 9.753 -1.877 3.632
187 HE ARG 27 HE ARG 27 10.691 0.304 2.191
188 HH11 ARG 27 HH11 ARG 27 8.915 -0.263 5.148
189 HH12 ARG 27 HH12 ARG 27 9.601 1.095 5.977
190 HH21 ARG 27 HH21 ARG 27 11.611 2.094 3.292
191 HH22 ARG 27 HH22 ARG 27 11.126 2.448 4.915
192 H SER 28 HN SER 28 6.379 -2.517 -0.920
193 HA SER 28 HA SER 28 5.429 -0.830 -3.123
194 HB2 SER 28 HB2 SER 28 4.607 -3.504 -1.999
195 HB3 SER 28 HB1 SER 28 3.490 -2.578 -3.005
196 HG SER 28 HG SER 28 6.116 -3.406 -3.722
197 H CYS 29 HN CYS 29 3.713 0.547 -2.833
198 HA CYS 29 HA CYS 29 2.934 1.061 -0.084
199 HB2 CYS 29 HB2 CYS 29 3.142 2.641 -2.526
200 HB3 CYS 29 HB1 CYS 29 1.646 2.928 -1.661
201 H CYS 30 HN CYS 30 1.085 0.439 0.737
202 HA CYS 30 HA CYS 30 -1.006 -0.511 -1.092
203 HB2 CYS 30 HB2 CYS 30 -0.564 -1.467 1.725
204 HB3 CYS 30 HB1 CYS 30 -1.449 -2.253 0.418
205 H ALA 31 HN ALA 31 -3.029 -0.035 -0.693
206 HA ALA 31 HA ALA 31 -3.733 1.713 1.537
207 HB1 ALA 31 HB1 ALA 31 -3.948 2.279 -1.372
208 HB2 ALA 31 HB2 ALA 31 -3.595 3.370 -0.040
209 HB3 ALA 31 HB3 ALA 31 -5.249 2.826 -0.323
210 H TRP 32 HN TRP 32 -6.292 1.832 1.496
211 HA TRP 32 HA TRP 32 -7.103 -0.925 1.393
212 HB2 TRP 32 HB2 TRP 32 -7.976 1.530 2.752
213 HB3 TRP 32 HB1 TRP 32 -9.206 0.295 2.483
214 HD1 TRP 32 HD1 TRP 32 -6.116 1.075 4.569
215 HE1 TRP 32 HE1 TRP 32 -5.862 -0.772 6.356
216 HE3 TRP 32 HE3 TRP 32 -9.593 -2.121 2.815
217 HZ2 TRP 32 HZ2 TRP 32 -7.024 -3.313 6.918
218 HZ3 TRP 32 HZ3 TRP 32 -9.993 -4.262 3.998
219 HH2 TRP 32 HH2 TRP 32 -8.727 -4.840 6.009
220 HA PRO 33 HA PRO 33 -9.247 -0.905 -2.443
221 HB2 PRO 33 HB2 PRO 33 -11.223 -2.694 -1.789
222 HB3 PRO 33 HB1 PRO 33 -9.557 -3.140 -2.177
223 HG2 PRO 33 HG2 PRO 33 -10.792 -2.656 0.527
224 HG3 PRO 33 HG1 PRO 33 -9.821 -4.048 -0.014
225 HD2 PRO 33 HD2 PRO 33 -8.652 -2.159 1.367
226 HD3 PRO 33 HD1 PRO 33 -7.849 -2.746 -0.096
227 H TRP 34 HN TRP 34 -11.021 0.107 0.407
228 HA TRP 34 HA TRP 34 -13.571 0.342 -0.085
229 HB2 TRP 34 HB2 TRP 34 -13.141 3.043 0.336
230 HB3 TRP 34 HB1 TRP 34 -13.369 1.812 1.571
231 HD1 TRP 34 HD1 TRP 34 -11.595 1.817 3.330
232 HE1 TRP 34 HE1 TRP 34 -9.147 2.473 3.467
233 HE3 TRP 34 HE3 TRP 34 -10.804 3.323 -1.495
234 HZ2 TRP 34 HZ2 TRP 34 -7.109 3.417 1.815
235 HZ3 TRP 34 HZ3 TRP 34 -8.562 4.066 -2.145
236 HH2 TRP 34 HH2 TRP 34 -6.753 4.130 -0.522
237 H ASN 35 HN ASN 35 -11.266 2.046 -2.079
238 HA ASN 35 HA ASN 35 -13.251 2.385 -4.159
239 HB2 ASN 35 HB2 ASN 35 -13.191 4.774 -4.216
240 HB3 ASN 35 HB1 ASN 35 -13.489 4.317 -2.542
241 HD21 ASN 35 HD21 ASN 35 -12.222 5.154 -1.019
242 HD22 ASN 35 HD22 ASN 35 -10.705 5.938 -1.295
243 H ALA 36 HN ALA 36 -10.531 1.231 -3.511
244 HA ALA 36 HA ALA 36 -9.054 2.451 -5.748
245 HB1 ALA 36 HB1 ALA 36 -7.478 2.843 -4.210
246 HB2 ALA 36 HB2 ALA 36 -7.161 1.113 -4.282
247 HB3 ALA 36 HB3 ALA 36 -8.228 1.762 -3.036
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 5.448 1.860 6.755
2 H2 LEU 1 HT2 LEU 1 6.553 2.705 7.711
3 H3 LEU 1 HT3 LEU 1 7.040 2.059 6.229
4 HA LEU 1 HA LEU 1 6.053 4.595 6.731
5 HB2 LEU 1 HB2 LEU 1 7.748 3.792 5.052
6 HB3 LEU 1 HB1 LEU 1 6.416 3.178 4.090
7 HG LEU 1 HG LEU 1 5.516 5.522 3.986
8 HD11 LEU 1 HD11 LEU 1 8.192 6.157 5.213
9 HD12 LEU 1 HD12 LEU 1 6.600 6.505 5.884
10 HD13 LEU 1 HD13 LEU 1 7.146 7.340 4.429
11 HD21 LEU 1 HD21 LEU 1 7.106 6.252 2.280
12 HD22 LEU 1 HD22 LEU 1 6.718 4.540 2.125
13 HD23 LEU 1 HD23 LEU 1 8.256 5.035 2.833
14 H PHE 2 HN PHE 2 4.206 5.689 6.076
15 HA PHE 2 HA PHE 2 1.878 4.029 5.719
16 HB2 PHE 2 HB2 PHE 2 1.931 6.152 7.156
17 HB3 PHE 2 HB1 PHE 2 1.895 7.044 5.638
18 HD1 PHE 2 HD2 PHE 2 -0.076 7.005 4.216
19 HD2 PHE 2 HD1 PHE 2 -0.031 4.959 7.953
20 HE1 PHE 2 HE2 PHE 2 -2.526 6.819 4.146
21 HE2 PHE 2 HE1 PHE 2 -2.478 4.771 7.885
22 HZ PHE 2 HZ PHE 2 -3.727 5.660 6.001
23 H CYS 3 HN CYS 3 0.279 4.688 4.025
24 HA CYS 3 HA CYS 3 1.437 5.770 1.592
25 HB2 CYS 3 HB2 CYS 3 0.252 2.990 1.779
26 HB3 CYS 3 HB1 CYS 3 0.578 3.826 0.264
27 H LYS 4 HN LYS 4 -0.052 6.859 0.424
28 HA LYS 4 HA LYS 4 -2.267 7.926 1.497
29 HB2 LYS 4 HB2 LYS 4 -1.999 7.238 -1.432
30 HB3 LYS 4 HB1 LYS 4 -3.009 8.506 -0.743
31 HG2 LYS 4 HG2 LYS 4 -0.980 9.627 0.096
32 HG3 LYS 4 HG1 LYS 4 -0.001 8.385 -0.684
33 HD2 LYS 4 HD2 LYS 4 -1.015 9.037 -2.859
34 HD3 LYS 4 HD1 LYS 4 -1.836 10.360 -2.030
35 HE2 LYS 4 HE2 LYS 4 1.145 9.954 -2.212
36 HE3 LYS 4 HE1 LYS 4 0.204 11.139 -3.112
37 HZ1 LYS 4 HZ1 LYS 4 0.925 12.410 -1.395
38 HZ2 LYS 4 HZ2 LYS 4 0.971 11.133 -0.291
39 HZ3 LYS 4 HZ3 LYS 4 -0.505 11.838 -0.704
40 H GLY 5 HN GLY 5 -3.319 6.322 2.726
41 HA2 GLY 5 HA2 GLY 5 -5.699 5.486 2.398
42 HA3 GLY 5 HA1 GLY 5 -4.976 4.451 1.182
43 H GLY 6 HN GLY 6 -2.622 3.751 2.507
44 HA2 GLY 6 HA2 GLY 6 -3.414 2.552 5.047
45 HA3 GLY 6 HA1 GLY 6 -3.033 1.446 3.734
46 H SER 7 HN SER 7 -1.049 0.627 4.013
47 HA SER 7 HA SER 7 1.123 2.490 4.643
48 HB2 SER 7 HB2 SER 7 0.913 -0.249 5.904
49 HB3 SER 7 HB1 SER 7 2.092 1.010 6.261
50 HG SER 7 HG SER 7 -0.644 1.567 6.563
51 H CYS 8 HN CYS 8 3.279 1.479 4.232
52 HA CYS 8 HA CYS 8 3.183 0.087 1.673
53 HB2 CYS 8 HB2 CYS 8 4.768 1.560 1.130
54 HB3 CYS 8 HB1 CYS 8 4.728 2.216 2.755
55 H HIS 9 HN HIS 9 3.945 -1.869 1.340
56 HA HIS 9 HA HIS 9 5.330 -3.274 3.521
57 HB2 HIS 9 HB2 HIS 9 3.216 -4.490 1.730
58 HB3 HIS 9 HB1 HIS 9 4.007 -5.247 3.103
59 HD1 HIS 9 HD1 HIS 9 2.950 -4.901 5.377
60 HD2 HIS 9 HD2 HIS 9 1.338 -2.468 2.427
61 HE1 HIS 9 HE1 HIS 9 0.931 -3.809 6.423
62 HE2 HIS 9 HE2 HIS 9 0.067 -2.230 4.666
63 H PHE 10 HN PHE 10 7.037 -4.461 2.852
64 HA PHE 10 HA PHE 10 7.893 -4.162 0.164
65 HB2 PHE 10 HB2 PHE 10 9.358 -4.320 2.301
66 HB3 PHE 10 HB1 PHE 10 9.149 -6.058 2.134
67 HD1 PHE 10 HD1 PHE 10 9.139 -4.418 -1.008
68 HD2 PHE 10 HD2 PHE 10 11.717 -5.913 2.020
69 HE1 PHE 10 HE1 PHE 10 10.950 -4.457 -2.608
70 HE2 PHE 10 HE2 PHE 10 13.566 -5.957 0.404
71 HZ PHE 10 HZ PHE 10 13.192 -5.225 -1.920
72 H GLY 11 HN GLY 11 7.808 -5.611 -1.503
73 HA2 GLY 11 HA2 GLY 11 7.702 -7.827 -2.380
74 HA3 GLY 11 HA1 GLY 11 6.862 -8.333 -0.926
75 H GLY 12 HN GLY 12 4.883 -6.386 -0.789
76 HA2 GLY 12 HA2 GLY 12 3.505 -5.875 -3.144
77 HA3 GLY 12 HA1 GLY 12 2.985 -7.449 -2.562
78 H CYS 13 HN CYS 13 1.060 -7.210 -1.668
79 HA CYS 13 HA CYS 13 0.767 -5.381 0.558
80 HB2 CYS 13 HB2 CYS 13 -0.956 -5.254 -1.913
81 HB3 CYS 13 HB1 CYS 13 -1.354 -4.466 -0.385
82 HA PRO 14 HA PRO 14 -1.556 -8.758 2.183
83 HB2 PRO 14 HB2 PRO 14 -3.348 -6.755 3.409
84 HB3 PRO 14 HB1 PRO 14 -2.382 -8.010 4.179
85 HG2 PRO 14 HG2 PRO 14 -1.728 -5.398 4.317
86 HG3 PRO 14 HG1 PRO 14 -0.514 -6.689 4.312
87 HD2 PRO 14 HD2 PRO 14 -1.298 -4.816 2.143
88 HD3 PRO 14 HD1 PRO 14 0.275 -5.556 2.486
89 H SER 15 HN SER 15 -3.159 -9.881 1.283
90 HA SER 15 HA SER 15 -4.436 -9.382 -0.961
91 HB2 SER 15 HB2 SER 15 -5.658 -10.816 1.396
92 HB3 SER 15 HB1 SER 15 -6.201 -10.979 -0.273
93 HG SER 15 HG SER 15 -3.970 -11.655 -0.729
94 H HIS 16 HN HIS 16 -5.464 -8.053 2.125
95 HA HIS 16 HA HIS 16 -8.004 -7.135 1.243
96 HB2 HIS 16 HB2 HIS 16 -6.624 -5.555 3.316
97 HB3 HIS 16 HB1 HIS 16 -8.265 -6.180 3.285
98 HD1 HIS 16 HD1 HIS 16 -5.293 -6.555 5.083
99 HD2 HIS 16 HD2 HIS 16 -8.090 -9.210 3.574
100 HE1 HIS 16 HE1 HIS 16 -4.945 -8.672 6.346
101 HE2 HIS 16 HE2 HIS 16 -6.545 -10.323 5.326
102 H LEU 17 HN LEU 17 -4.892 -5.533 1.653
103 HA LEU 17 HA LEU 17 -5.802 -3.021 0.739
104 HB2 LEU 17 HB2 LEU 17 -2.985 -4.006 1.091
105 HB3 LEU 17 HB1 LEU 17 -3.465 -2.337 0.864
106 HG LEU 17 HG LEU 17 -4.044 -4.101 3.234
107 HD11 LEU 17 HD11 LEU 17 -1.825 -2.931 3.017
108 HD12 LEU 17 HD12 LEU 17 -2.762 -2.563 4.464
109 HD13 LEU 17 HD13 LEU 17 -2.717 -1.411 3.130
110 HD21 LEU 17 HD21 LEU 17 -5.163 -2.031 4.146
111 HD22 LEU 17 HD22 LEU 17 -6.066 -2.922 2.919
112 HD23 LEU 17 HD23 LEU 17 -5.213 -1.435 2.488
113 H ILE 18 HN ILE 18 -5.275 -1.859 -0.943
114 HA ILE 18 HA ILE 18 -4.836 -3.235 -3.463
115 HB ILE 18 HB ILE 18 -5.669 -0.903 -4.330
116 HG12 ILE 18 HG12 ILE 18 -7.365 0.026 -2.637
117 HG13 ILE 18 HG11 ILE 18 -6.460 -0.841 -1.425
118 HG21 ILE 18 HG21 ILE 18 -7.511 -2.791 -2.890
119 HG22 ILE 18 HG22 ILE 18 -6.897 -2.995 -4.531
120 HG23 ILE 18 HG23 ILE 18 -7.974 -1.651 -4.150
121 HD11 ILE 18 HD11 ILE 18 -5.958 1.654 -1.903
122 HD12 ILE 18 HD12 ILE 18 -5.015 1.008 -3.245
123 HD13 ILE 18 HD13 ILE 18 -4.642 0.530 -1.598
124 H LYS 19 HN LYS 19 -3.163 -2.696 -4.794
125 HA LYS 19 HA LYS 19 -0.892 -1.430 -3.657
126 HB2 LYS 19 HB2 LYS 19 -0.701 -3.267 -5.261
127 HB3 LYS 19 HB1 LYS 19 -1.455 -2.284 -6.504
128 HG2 LYS 19 HG2 LYS 19 0.875 -2.305 -6.921
129 HG3 LYS 19 HG1 LYS 19 0.466 -0.704 -6.308
130 HD2 LYS 19 HD2 LYS 19 1.412 -1.162 -4.197
131 HD3 LYS 19 HD1 LYS 19 1.501 -2.894 -4.527
132 HE2 LYS 19 HE2 LYS 19 3.020 -0.849 -6.128
133 HE3 LYS 19 HE1 LYS 19 3.681 -1.595 -4.678
134 HZ1 LYS 19 HZ1 LYS 19 4.066 -3.509 -5.750
135 HZ2 LYS 19 HZ2 LYS 19 3.951 -2.578 -7.156
136 HZ3 LYS 19 HZ3 LYS 19 2.614 -3.454 -6.614
137 H VAL 20 HN VAL 20 -1.221 0.701 -3.197
138 HA VAL 20 HA VAL 20 -2.463 2.518 -5.031
139 HB VAL 20 HB VAL 20 -1.089 4.160 -3.319
140 HG11 VAL 20 HG11 VAL 20 -3.375 4.511 -3.728
141 HG12 VAL 20 HG12 VAL 20 -3.260 4.178 -1.999
142 HG13 VAL 20 HG13 VAL 20 -3.818 2.921 -3.107
143 HG21 VAL 20 HG21 VAL 20 -0.189 2.306 -2.042
144 HG22 VAL 20 HG22 VAL 20 -1.808 1.666 -1.785
145 HG23 VAL 20 HG23 VAL 20 -1.346 3.209 -1.069
146 H GLY 21 HN GLY 21 0.788 1.503 -4.331
147 HA2 GLY 21 HA2 GLY 21 1.877 2.235 -6.755
148 HA3 GLY 21 HA1 GLY 21 2.108 3.627 -5.707
149 H SER 22 HN SER 22 4.356 3.393 -5.756
150 HA SER 22 HA SER 22 5.480 0.954 -4.601
151 HB2 SER 22 HB2 SER 22 7.676 2.207 -5.217
152 HB3 SER 22 HB1 SER 22 6.690 1.524 -6.510
153 HG SER 22 HG SER 22 6.190 3.469 -7.182
154 H CYS 23 HN CYS 23 7.561 1.533 -3.218
155 HA CYS 23 HA CYS 23 6.894 3.639 -1.286
156 HB2 CYS 23 HB2 CYS 23 6.011 1.564 -0.393
157 HB3 CYS 23 HB1 CYS 23 7.534 0.761 -0.679
158 H PHE 24 HN PHE 24 9.007 3.081 0.478
159 HA PHE 24 HA PHE 24 11.145 4.259 -0.906
160 HB2 PHE 24 HB2 PHE 24 10.643 4.858 1.402
161 HB3 PHE 24 HB1 PHE 24 10.981 3.208 1.910
162 HD1 PHE 24 HD1 PHE 24 12.910 5.217 -0.523
163 HD2 PHE 24 HD2 PHE 24 12.773 3.547 3.386
164 HE1 PHE 24 HE1 PHE 24 15.271 5.817 -0.188
165 HE2 PHE 24 HE2 PHE 24 15.133 4.145 3.730
166 HZ PHE 24 HZ PHE 24 16.391 5.267 1.943
167 H GLY 25 HN GLY 25 12.934 3.539 -1.608
168 HA2 GLY 25 HA2 GLY 25 14.605 2.183 -2.196
169 HA3 GLY 25 HA1 GLY 25 14.190 1.152 -0.858
170 H PHE 26 HN PHE 26 11.691 0.263 -1.645
171 HA PHE 26 HA PHE 26 11.564 -0.740 -4.278
172 HB2 PHE 26 HB2 PHE 26 12.204 -3.159 -3.442
173 HB3 PHE 26 HB1 PHE 26 13.454 -2.033 -3.956
174 HD1 PHE 26 HD1 PHE 26 11.831 -1.328 -0.800
175 HD2 PHE 26 HD2 PHE 26 15.063 -3.398 -2.627
176 HE1 PHE 26 HE1 PHE 26 12.921 -1.592 1.393
177 HE2 PHE 26 HE2 PHE 26 16.139 -3.686 -0.471
178 HZ PHE 26 HZ PHE 26 15.108 -2.558 1.568
179 H ARG 27 HN ARG 27 10.435 -0.412 -1.161
180 HA ARG 27 HA ARG 27 8.664 -2.582 -0.941
181 HB2 ARG 27 HB2 ARG 27 8.881 0.077 0.405
182 HB3 ARG 27 HB1 ARG 27 7.484 -0.954 0.702
183 HG2 ARG 27 HG2 ARG 27 8.904 -2.708 1.506
184 HG3 ARG 27 HG1 ARG 27 10.336 -1.783 1.078
185 HD2 ARG 27 HD2 ARG 27 8.287 -0.775 3.026
186 HD3 ARG 27 HD1 ARG 27 9.659 -1.765 3.519
187 HE ARG 27 HE ARG 27 10.663 0.339 2.012
188 HH11 ARG 27 HH11 ARG 27 8.875 -0.026 4.996
189 HH12 ARG 27 HH12 ARG 27 9.698 1.275 5.796
190 HH21 ARG 27 HH21 ARG 27 11.755 2.044 3.072
191 HH22 ARG 27 HH22 ARG 27 11.316 2.463 4.695
192 H SER 28 HN SER 28 6.351 -2.487 -0.925
193 HA SER 28 HA SER 28 5.342 -0.928 -3.190
194 HB2 SER 28 HB2 SER 28 4.453 -3.509 -1.887
195 HB3 SER 28 HB1 SER 28 3.469 -2.664 -3.086
196 HG SER 28 HG SER 28 5.898 -4.031 -3.374
197 H CYS 29 HN CYS 29 3.617 0.449 -2.909
198 HA CYS 29 HA CYS 29 2.938 1.054 -0.146
199 HB2 CYS 29 HB2 CYS 29 3.164 2.588 -2.581
200 HB3 CYS 29 HB1 CYS 29 1.592 2.845 -1.841
201 H CYS 30 HN CYS 30 1.109 0.445 0.757
202 HA CYS 30 HA CYS 30 -1.018 -0.586 -0.980
203 HB2 CYS 30 HB2 CYS 30 -0.460 -1.463 1.843
204 HB3 CYS 30 HB1 CYS 30 -1.390 -2.291 0.594
205 H ALA 31 HN ALA 31 -2.992 -0.034 -0.628
206 HA ALA 31 HA ALA 31 -3.716 1.650 1.648
207 HB1 ALA 31 HB1 ALA 31 -3.575 3.373 0.155
208 HB2 ALA 31 HB2 ALA 31 -5.201 2.811 -0.228
209 HB3 ALA 31 HB3 ALA 31 -3.844 2.330 -1.236
210 H TRP 32 HN TRP 32 -6.260 1.805 1.570
211 HA TRP 32 HA TRP 32 -7.108 -0.927 1.377
212 HB2 TRP 32 HB2 TRP 32 -8.021 1.523 2.722
213 HB3 TRP 32 HB1 TRP 32 -9.247 0.293 2.396
214 HD1 TRP 32 HD1 TRP 32 -6.251 1.047 4.619
215 HE1 TRP 32 HE1 TRP 32 -6.030 -0.849 6.362
216 HE3 TRP 32 HE3 TRP 32 -9.625 -2.141 2.659
217 HZ2 TRP 32 HZ2 TRP 32 -7.182 -3.414 6.815
218 HZ3 TRP 32 HZ3 TRP 32 -10.041 -4.321 3.771
219 HH2 TRP 32 HH2 TRP 32 -8.832 -4.936 5.807
220 HA PRO 33 HA PRO 33 -9.003 -0.994 -2.570
221 HB2 PRO 33 HB2 PRO 33 -11.213 -2.526 -1.868
222 HB3 PRO 33 HB1 PRO 33 -9.628 -3.138 -2.349
223 HG2 PRO 33 HG2 PRO 33 -10.738 -2.685 0.393
224 HG3 PRO 33 HG1 PRO 33 -9.758 -4.034 -0.209
225 HD2 PRO 33 HD2 PRO 33 -8.618 -2.162 1.247
226 HD3 PRO 33 HD1 PRO 33 -7.790 -2.752 -0.200
227 H TRP 34 HN TRP 34 -11.080 0.100 0.087
228 HA TRP 34 HA TRP 34 -13.479 0.566 -0.739
229 HB2 TRP 34 HB2 TRP 34 -12.987 3.205 -0.165
230 HB3 TRP 34 HB1 TRP 34 -13.339 1.944 1.010
231 HD1 TRP 34 HD1 TRP 34 -11.679 1.810 2.892
232 HE1 TRP 34 HE1 TRP 34 -9.234 2.402 3.232
233 HE3 TRP 34 HE3 TRP 34 -10.545 3.541 -1.780
234 HZ2 TRP 34 HZ2 TRP 34 -7.069 3.378 1.746
235 HZ3 TRP 34 HZ3 TRP 34 -8.259 4.243 -2.258
236 HH2 TRP 34 HH2 TRP 34 -6.565 4.191 -0.534
237 H ASN 35 HN ASN 35 -10.833 2.219 -2.364
238 HA ASN 35 HA ASN 35 -12.475 2.688 -4.703
239 HB2 ASN 35 HB2 ASN 35 -11.079 5.120 -3.741
240 HB3 ASN 35 HB1 ASN 35 -12.598 4.984 -4.617
241 HD21 ASN 35 HD21 ASN 35 -11.076 5.425 -1.629
242 HD22 ASN 35 HD22 ASN 35 -12.489 5.464 -0.635
243 H ALA 36 HN ALA 36 -10.180 1.099 -4.235
244 HA ALA 36 HA ALA 36 -8.320 2.410 -6.060
245 HB1 ALA 36 HB1 ALA 36 -7.799 1.868 -3.235
246 HB2 ALA 36 HB2 ALA 36 -6.975 2.951 -4.357
247 HB3 ALA 36 HB3 ALA 36 -6.569 1.237 -4.332
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 6.914 2.595 6.809
2 H2 LEU 1 HT2 LEU 1 5.635 1.882 5.977
3 H3 LEU 1 HT3 LEU 1 5.358 2.631 7.460
4 HA LEU 1 HA LEU 1 5.824 4.771 6.569
5 HB2 LEU 1 HB2 LEU 1 7.580 3.915 5.002
6 HB3 LEU 1 HB1 LEU 1 6.297 3.310 3.963
7 HG LEU 1 HG LEU 1 5.456 5.659 3.749
8 HD11 LEU 1 HD11 LEU 1 7.158 7.445 4.277
9 HD12 LEU 1 HD12 LEU 1 7.978 6.245 5.275
10 HD13 LEU 1 HD13 LEU 1 6.327 6.733 5.660
11 HD21 LEU 1 HD21 LEU 1 6.769 4.678 1.993
12 HD22 LEU 1 HD22 LEU 1 8.265 5.095 2.830
13 HD23 LEU 1 HD23 LEU 1 7.223 6.368 2.196
14 H PHE 2 HN PHE 2 4.073 5.956 5.816
15 HA PHE 2 HA PHE 2 1.689 4.424 5.359
16 HB2 PHE 2 HB2 PHE 2 1.750 6.579 6.717
17 HB3 PHE 2 HB1 PHE 2 1.898 7.423 5.176
18 HD1 PHE 2 HD2 PHE 2 0.047 7.514 3.618
19 HD2 PHE 2 HD1 PHE 2 -0.348 5.501 7.349
20 HE1 PHE 2 HE2 PHE 2 -2.394 7.469 3.340
21 HE2 PHE 2 HE1 PHE 2 -2.783 5.450 7.071
22 HZ PHE 2 HZ PHE 2 -3.817 6.452 5.098
23 H CYS 3 HN CYS 3 0.232 4.979 3.625
24 HA CYS 3 HA CYS 3 1.361 6.030 1.187
25 HB2 CYS 3 HB2 CYS 3 0.361 3.177 1.389
26 HB3 CYS 3 HB1 CYS 3 0.770 4.003 -0.111
27 H LYS 4 HN LYS 4 -0.221 6.947 -0.037
28 HA LYS 4 HA LYS 4 -2.465 7.951 0.924
29 HB2 LYS 4 HB2 LYS 4 -2.109 6.887 -1.869
30 HB3 LYS 4 HB1 LYS 4 -3.447 7.914 -1.381
31 HG2 LYS 4 HG2 LYS 4 -1.853 9.673 -0.764
32 HG3 LYS 4 HG1 LYS 4 -0.528 8.643 -1.314
33 HD2 LYS 4 HD2 LYS 4 -1.388 8.653 -3.561
34 HD3 LYS 4 HD1 LYS 4 -2.835 9.518 -3.048
35 HE2 LYS 4 HE2 LYS 4 -1.417 11.431 -2.400
36 HE3 LYS 4 HE1 LYS 4 -0.010 10.564 -3.014
37 HZ1 LYS 4 HZ1 LYS 4 -1.037 12.214 -4.568
38 HZ2 LYS 4 HZ2 LYS 4 -2.372 11.182 -4.691
39 HZ3 LYS 4 HZ3 LYS 4 -0.847 10.659 -5.198
40 H GLY 5 HN GLY 5 -3.300 6.361 2.446
41 HA2 GLY 5 HA2 GLY 5 -5.693 5.477 2.329
42 HA3 GLY 5 HA1 GLY 5 -5.010 4.344 1.185
43 H GLY 6 HN GLY 6 -2.604 3.730 2.446
44 HA2 GLY 6 HA2 GLY 6 -3.289 2.823 5.130
45 HA3 GLY 6 HA1 GLY 6 -3.053 1.569 3.924
46 H SER 7 HN SER 7 -1.192 0.635 4.544
47 HA SER 7 HA SER 7 1.129 2.398 4.918
48 HB2 SER 7 HB2 SER 7 0.888 -0.398 6.026
49 HB3 SER 7 HB1 SER 7 2.024 0.866 6.488
50 HG SER 7 HG SER 7 -0.616 1.584 6.759
51 H CYS 8 HN CYS 8 3.208 1.453 4.320
52 HA CYS 8 HA CYS 8 3.002 0.049 1.767
53 HB2 CYS 8 HB2 CYS 8 4.600 1.469 1.112
54 HB3 CYS 8 HB1 CYS 8 4.470 2.261 2.666
55 H HIS 9 HN HIS 9 3.945 -1.869 1.363
56 HA HIS 9 HA HIS 9 5.378 -3.204 3.554
57 HB2 HIS 9 HB2 HIS 9 3.288 -4.546 1.832
58 HB3 HIS 9 HB1 HIS 9 4.102 -5.213 3.237
59 HD1 HIS 9 HD1 HIS 9 3.008 -4.818 5.493
60 HD2 HIS 9 HD2 HIS 9 1.336 -2.550 2.448
61 HE1 HIS 9 HE1 HIS 9 0.895 -3.849 6.453
62 HE2 HIS 9 HE2 HIS 9 0.022 -2.308 4.661
63 H PHE 10 HN PHE 10 7.139 -4.271 2.880
64 HA PHE 10 HA PHE 10 7.963 -4.052 0.176
65 HB2 PHE 10 HB2 PHE 10 9.388 -4.150 2.395
66 HB3 PHE 10 HB1 PHE 10 9.324 -5.882 2.118
67 HD1 PHE 10 HD1 PHE 10 9.221 -4.374 -1.014
68 HD2 PHE 10 HD2 PHE 10 11.899 -5.209 2.173
69 HE1 PHE 10 HE1 PHE 10 11.082 -4.166 -2.556
70 HE2 PHE 10 HE2 PHE 10 13.796 -5.007 0.624
71 HZ PHE 10 HZ PHE 10 13.395 -4.483 -1.751
72 H GLY 11 HN GLY 11 7.840 -5.525 -1.449
73 HA2 GLY 11 HA2 GLY 11 7.881 -7.799 -2.227
74 HA3 GLY 11 HA1 GLY 11 7.023 -8.275 -0.773
75 H GLY 12 HN GLY 12 4.957 -6.504 -0.699
76 HA2 GLY 12 HA2 GLY 12 3.617 -6.040 -3.098
77 HA3 GLY 12 HA1 GLY 12 3.130 -7.619 -2.495
78 H CYS 13 HN CYS 13 1.075 -7.196 -1.863
79 HA CYS 13 HA CYS 13 0.778 -5.479 0.472
80 HB2 CYS 13 HB2 CYS 13 -0.847 -5.196 -2.047
81 HB3 CYS 13 HB1 CYS 13 -1.278 -4.452 -0.504
82 HA PRO 14 HA PRO 14 -1.624 -8.908 1.897
83 HB2 PRO 14 HB2 PRO 14 -3.243 -6.839 3.271
84 HB3 PRO 14 HB1 PRO 14 -2.420 -8.243 3.944
85 HG2 PRO 14 HG2 PRO 14 -1.488 -5.747 4.283
86 HG3 PRO 14 HG1 PRO 14 -0.413 -7.149 4.138
87 HD2 PRO 14 HD2 PRO 14 -1.018 -5.011 2.168
88 HD3 PRO 14 HD1 PRO 14 0.465 -5.958 2.394
89 H SER 15 HN SER 15 -3.294 -9.877 0.928
90 HA SER 15 HA SER 15 -4.604 -9.103 -1.229
91 HB2 SER 15 HB2 SER 15 -4.813 -11.348 -0.249
92 HB3 SER 15 HB1 SER 15 -5.900 -10.706 0.979
93 HG SER 15 HG SER 15 -7.210 -9.988 -0.914
94 H HIS 16 HN HIS 16 -5.505 -8.111 2.024
95 HA HIS 16 HA HIS 16 -8.031 -7.036 1.407
96 HB2 HIS 16 HB2 HIS 16 -6.394 -5.551 3.365
97 HB3 HIS 16 HB1 HIS 16 -8.057 -6.105 3.484
98 HD1 HIS 16 HD1 HIS 16 -5.025 -6.627 5.083
99 HD2 HIS 16 HD2 HIS 16 -7.915 -9.196 3.584
100 HE1 HIS 16 HE1 HIS 16 -4.659 -8.798 6.248
101 HE2 HIS 16 HE2 HIS 16 -6.357 -10.378 5.275
102 H LEU 17 HN LEU 17 -4.843 -5.568 1.560
103 HA LEU 17 HA LEU 17 -5.765 -3.021 0.723
104 HB2 LEU 17 HB2 LEU 17 -2.952 -4.044 1.003
105 HB3 LEU 17 HB1 LEU 17 -3.418 -2.368 0.794
106 HG LEU 17 HG LEU 17 -3.970 -4.137 3.167
107 HD11 LEU 17 HD11 LEU 17 -1.765 -2.781 2.724
108 HD12 LEU 17 HD12 LEU 17 -2.493 -2.861 4.325
109 HD13 LEU 17 HD13 LEU 17 -2.748 -1.438 3.311
110 HD21 LEU 17 HD21 LEU 17 -5.098 -1.416 2.523
111 HD22 LEU 17 HD22 LEU 17 -5.121 -2.145 4.126
112 HD23 LEU 17 HD23 LEU 17 -5.995 -2.911 2.803
113 H ILE 18 HN ILE 18 -5.074 -1.846 -0.957
114 HA ILE 18 HA ILE 18 -4.796 -3.261 -3.487
115 HB ILE 18 HB ILE 18 -5.679 -0.909 -4.304
116 HG12 ILE 18 HG12 ILE 18 -7.377 -0.093 -2.541
117 HG13 ILE 18 HG11 ILE 18 -6.403 -0.958 -1.380
118 HG21 ILE 18 HG21 ILE 18 -6.908 -2.930 -4.635
119 HG22 ILE 18 HG22 ILE 18 -8.005 -1.715 -3.977
120 HG23 ILE 18 HG23 ILE 18 -7.366 -2.985 -2.934
121 HD11 ILE 18 HD11 ILE 18 -6.007 1.561 -1.772
122 HD12 ILE 18 HD12 ILE 18 -5.116 1.019 -3.194
123 HD13 ILE 18 HD13 ILE 18 -4.628 0.482 -1.593
124 H LYS 19 HN LYS 19 -3.079 -2.811 -4.771
125 HA LYS 19 HA LYS 19 -0.855 -1.419 -3.699
126 HB2 LYS 19 HB2 LYS 19 -0.600 -3.329 -5.216
127 HB3 LYS 19 HB1 LYS 19 -1.364 -2.421 -6.508
128 HG2 LYS 19 HG2 LYS 19 0.887 -2.261 -7.008
129 HG3 LYS 19 HG1 LYS 19 0.555 -0.741 -6.182
130 HD2 LYS 19 HD2 LYS 19 1.561 -1.519 -4.174
131 HD3 LYS 19 HD1 LYS 19 1.659 -3.172 -4.788
132 HE2 LYS 19 HE2 LYS 19 3.114 -0.810 -5.972
133 HE3 LYS 19 HE1 LYS 19 3.829 -1.961 -4.853
134 HZ1 LYS 19 HZ1 LYS 19 4.436 -2.648 -7.001
135 HZ2 LYS 19 HZ2 LYS 19 2.871 -2.466 -7.604
136 HZ3 LYS 19 HZ3 LYS 19 3.218 -3.715 -6.521
137 H VAL 20 HN VAL 20 -1.370 0.709 -3.323
138 HA VAL 20 HA VAL 20 -2.600 2.393 -5.275
139 HB VAL 20 HB VAL 20 -1.403 4.192 -3.636
140 HG11 VAL 20 HG11 VAL 20 -3.953 2.657 -3.190
141 HG12 VAL 20 HG12 VAL 20 -3.749 4.181 -4.049
142 HG13 VAL 20 HG13 VAL 20 -3.519 4.117 -2.302
143 HG21 VAL 20 HG21 VAL 20 -1.420 3.360 -1.352
144 HG22 VAL 20 HG22 VAL 20 -0.287 2.427 -2.329
145 HG23 VAL 20 HG23 VAL 20 -1.861 1.750 -1.920
146 H GLY 21 HN GLY 21 0.616 1.457 -4.485
147 HA2 GLY 21 HA2 GLY 21 1.785 2.112 -6.886
148 HA3 GLY 21 HA1 GLY 21 1.996 3.535 -5.867
149 H SER 22 HN SER 22 4.298 3.144 -5.933
150 HA SER 22 HA SER 22 5.188 0.761 -4.502
151 HB2 SER 22 HB2 SER 22 6.355 1.462 -6.619
152 HB3 SER 22 HB1 SER 22 6.918 2.896 -5.763
153 HG SER 22 HG SER 22 8.515 1.603 -5.264
154 H CYS 23 HN CYS 23 7.257 1.399 -3.094
155 HA CYS 23 HA CYS 23 6.420 3.559 -1.277
156 HB2 CYS 23 HB2 CYS 23 5.889 1.379 -0.328
157 HB3 CYS 23 HB1 CYS 23 7.524 0.840 -0.615
158 H PHE 24 HN PHE 24 8.577 3.396 0.445
159 HA PHE 24 HA PHE 24 10.543 4.805 -0.991
160 HB2 PHE 24 HB2 PHE 24 9.918 5.410 1.291
161 HB3 PHE 24 HB1 PHE 24 10.488 3.850 1.867
162 HD1 PHE 24 HD1 PHE 24 11.885 6.486 -0.361
163 HD2 PHE 24 HD2 PHE 24 12.417 4.044 3.072
164 HE1 PHE 24 HE1 PHE 24 14.130 7.434 -0.045
165 HE2 PHE 24 HE2 PHE 24 14.666 4.987 3.402
166 HZ PHE 24 HZ PHE 24 15.513 6.699 1.868
167 H GLY 25 HN GLY 25 12.384 4.229 -1.729
168 HA2 GLY 25 HA2 GLY 25 14.215 3.038 -2.223
169 HA3 GLY 25 HA1 GLY 25 13.935 2.080 -0.799
170 H PHE 26 HN PHE 26 11.491 0.865 -1.542
171 HA PHE 26 HA PHE 26 11.555 -0.338 -4.088
172 HB2 PHE 26 HB2 PHE 26 12.428 -2.616 -3.039
173 HB3 PHE 26 HB1 PHE 26 13.539 -1.415 -3.682
174 HD1 PHE 26 HD1 PHE 26 11.888 -0.607 -0.568
175 HD2 PHE 26 HD2 PHE 26 15.315 -2.463 -2.269
176 HE1 PHE 26 HE1 PHE 26 13.019 -0.548 1.615
177 HE2 PHE 26 HE2 PHE 26 16.438 -2.432 -0.113
178 HZ PHE 26 HZ PHE 26 15.343 -1.258 1.815
179 H ARG 27 HN ARG 27 10.400 -0.133 -0.898
180 HA ARG 27 HA ARG 27 8.807 -2.445 -0.769
181 HB2 ARG 27 HB2 ARG 27 8.726 0.218 0.606
182 HB3 ARG 27 HB1 ARG 27 7.453 -0.969 0.874
183 HG2 ARG 27 HG2 ARG 27 8.972 -2.507 1.793
184 HG3 ARG 27 HG1 ARG 27 10.354 -1.569 1.240
185 HD2 ARG 27 HD2 ARG 27 8.347 -0.536 3.217
186 HD3 ARG 27 HD1 ARG 27 9.819 -1.386 3.690
187 HE ARG 27 HE ARG 27 10.551 0.665 1.962
188 HH11 ARG 27 HH11 ARG 27 9.092 0.347 5.118
189 HH12 ARG 27 HH12 ARG 27 9.797 1.805 5.732
190 HH21 ARG 27 HH21 ARG 27 11.502 2.569 2.773
191 HH22 ARG 27 HH22 ARG 27 11.149 3.084 4.390
192 H SER 28 HN SER 28 6.386 -2.370 -0.740
193 HA SER 28 HA SER 28 5.468 -0.854 -3.079
194 HB2 SER 28 HB2 SER 28 4.542 -3.458 -1.850
195 HB3 SER 28 HB1 SER 28 3.627 -2.613 -3.106
196 HG SER 28 HG SER 28 5.817 -2.670 -4.233
197 H CYS 29 HN CYS 29 3.654 0.426 -2.911
198 HA CYS 29 HA CYS 29 2.910 1.097 -0.182
199 HB2 CYS 29 HB2 CYS 29 2.955 2.509 -2.751
200 HB3 CYS 29 HB1 CYS 29 1.527 2.835 -1.785
201 H CYS 30 HN CYS 30 1.119 0.449 0.726
202 HA CYS 30 HA CYS 30 -0.996 -0.655 -0.979
203 HB2 CYS 30 HB2 CYS 30 -0.407 -1.517 1.841
204 HB3 CYS 30 HB1 CYS 30 -1.317 -2.367 0.596
205 H ALA 31 HN ALA 31 -2.971 -0.101 -0.608
206 HA ALA 31 HA ALA 31 -3.660 1.564 1.689
207 HB1 ALA 31 HB1 ALA 31 -3.772 2.296 -1.180
208 HB2 ALA 31 HB2 ALA 31 -3.490 3.306 0.233
209 HB3 ALA 31 HB3 ALA 31 -5.126 2.780 -0.167
210 H TRP 32 HN TRP 32 -6.204 1.765 1.610
211 HA TRP 32 HA TRP 32 -7.099 -0.954 1.401
212 HB2 TRP 32 HB2 TRP 32 -7.958 1.506 2.768
213 HB3 TRP 32 HB1 TRP 32 -9.186 0.269 2.486
214 HD1 TRP 32 HD1 TRP 32 -6.096 1.040 4.588
215 HE1 TRP 32 HE1 TRP 32 -5.823 -0.831 6.352
216 HE3 TRP 32 HE3 TRP 32 -9.577 -2.137 2.821
217 HZ2 TRP 32 HZ2 TRP 32 -6.989 -3.369 6.894
218 HZ3 TRP 32 HZ3 TRP 32 -9.977 -4.293 3.982
219 HH2 TRP 32 HH2 TRP 32 -8.697 -4.889 5.982
220 HA PRO 33 HA PRO 33 -9.101 -0.882 -2.501
221 HB2 PRO 33 HB2 PRO 33 -11.276 -2.451 -1.854
222 HB3 PRO 33 HB1 PRO 33 -9.669 -3.047 -2.285
223 HG2 PRO 33 HG2 PRO 33 -10.854 -2.577 0.428
224 HG3 PRO 33 HG1 PRO 33 -9.903 -3.961 -0.149
225 HD2 PRO 33 HD2 PRO 33 -8.744 -2.113 1.323
226 HD3 PRO 33 HD1 PRO 33 -7.898 -2.735 -0.098
227 H TRP 34 HN TRP 34 -11.033 0.260 0.220
228 HA TRP 34 HA TRP 34 -13.487 0.721 -0.521
229 HB2 TRP 34 HB2 TRP 34 -12.924 3.353 0.039
230 HB3 TRP 34 HB1 TRP 34 -13.272 2.099 1.222
231 HD1 TRP 34 HD1 TRP 34 -11.555 1.926 3.056
232 HE1 TRP 34 HE1 TRP 34 -9.085 2.446 3.308
233 HE3 TRP 34 HE3 TRP 34 -10.537 3.605 -1.659
234 HZ2 TRP 34 HZ2 TRP 34 -6.944 3.347 1.739
235 HZ3 TRP 34 HZ3 TRP 34 -8.249 4.233 -2.225
236 HH2 TRP 34 HH2 TRP 34 -6.495 4.132 -0.567
237 H ASN 35 HN ASN 35 -10.858 2.276 -2.241
238 HA ASN 35 HA ASN 35 -12.607 2.859 -4.494
239 HB2 ASN 35 HB2 ASN 35 -10.916 5.141 -3.583
240 HB3 ASN 35 HB1 ASN 35 -12.437 5.169 -4.465
241 HD21 ASN 35 HD21 ASN 35 -10.917 5.599 -1.508
242 HD22 ASN 35 HD22 ASN 35 -12.324 5.727 -0.513
243 H ALA 36 HN ALA 36 -10.313 1.155 -3.907
244 HA ALA 36 HA ALA 36 -8.517 2.165 -5.981
245 HB1 ALA 36 HB1 ALA 36 -7.856 1.686 -3.163
246 HB2 ALA 36 HB2 ALA 36 -7.052 2.694 -4.366
247 HB3 ALA 36 HB3 ALA 36 -6.744 0.960 -4.326
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 5.155 2.239 7.174
2 H2 LEU 1 HT2 LEU 1 6.539 3.021 7.740
3 H3 LEU 1 HT3 LEU 1 6.596 2.140 6.303
4 HA LEU 1 HA LEU 1 5.800 4.839 6.752
5 HB2 LEU 1 HB2 LEU 1 7.530 3.948 5.165
6 HB3 LEU 1 HB1 LEU 1 6.230 3.248 4.220
7 HG LEU 1 HG LEU 1 5.317 5.633 4.019
8 HD11 LEU 1 HD11 LEU 1 6.891 7.434 4.285
9 HD12 LEU 1 HD12 LEU 1 8.145 6.308 4.805
10 HD13 LEU 1 HD13 LEU 1 6.724 6.577 5.817
11 HD21 LEU 1 HD21 LEU 1 7.758 4.550 2.689
12 HD22 LEU 1 HD22 LEU 1 7.175 6.162 2.276
13 HD23 LEU 1 HD23 LEU 1 6.128 4.764 2.052
14 H PHE 2 HN PHE 2 3.950 5.880 6.030
15 HA PHE 2 HA PHE 2 1.650 4.164 5.689
16 HB2 PHE 2 HB2 PHE 2 1.683 6.284 7.164
17 HB3 PHE 2 HB1 PHE 2 1.550 7.169 5.646
18 HD1 PHE 2 HD2 PHE 2 -0.450 6.927 4.235
19 HD2 PHE 2 HD1 PHE 2 -0.209 5.109 8.081
20 HE1 PHE 2 HE2 PHE 2 -2.890 6.623 4.248
21 HE2 PHE 2 HE1 PHE 2 -2.646 4.806 8.098
22 HZ PHE 2 HZ PHE 2 -3.986 5.527 6.200
23 H CYS 3 HN CYS 3 0.081 4.634 4.011
24 HA CYS 3 HA CYS 3 1.189 5.784 1.555
25 HB2 CYS 3 HB2 CYS 3 -0.063 3.048 1.839
26 HB3 CYS 3 HB1 CYS 3 0.150 3.858 0.291
27 H LYS 4 HN LYS 4 -0.372 6.746 0.241
28 HA LYS 4 HA LYS 4 -2.581 7.883 1.405
29 HB2 LYS 4 HB2 LYS 4 -2.229 7.167 -1.509
30 HB3 LYS 4 HB1 LYS 4 -3.419 8.296 -0.878
31 HG2 LYS 4 HG2 LYS 4 -1.686 9.788 -0.138
32 HG3 LYS 4 HG1 LYS 4 -0.443 8.629 -0.606
33 HD2 LYS 4 HD2 LYS 4 -0.659 10.381 -2.284
34 HD3 LYS 4 HD1 LYS 4 -1.150 8.822 -2.946
35 HE2 LYS 4 HE2 LYS 4 -3.516 9.444 -2.482
36 HE3 LYS 4 HE1 LYS 4 -2.954 11.038 -1.985
37 HZ1 LYS 4 HZ1 LYS 4 -3.584 11.279 -4.200
38 HZ2 LYS 4 HZ2 LYS 4 -2.879 9.820 -4.671
39 HZ3 LYS 4 HZ3 LYS 4 -1.902 11.139 -4.279
40 H GLY 5 HN GLY 5 -3.510 6.119 2.649
41 HA2 GLY 5 HA2 GLY 5 -5.876 5.221 2.329
42 HA3 GLY 5 HA1 GLY 5 -5.148 4.299 1.029
43 H GLY 6 HN GLY 6 -2.668 3.885 2.586
44 HA2 GLY 6 HA2 GLY 6 -3.488 2.337 4.886
45 HA3 GLY 6 HA1 GLY 6 -2.970 1.379 3.509
46 H SER 7 HN SER 7 -0.943 0.731 3.675
47 HA SER 7 HA SER 7 1.114 2.599 4.527
48 HB2 SER 7 HB2 SER 7 0.937 -0.103 5.844
49 HB3 SER 7 HB1 SER 7 1.919 1.283 6.319
50 HG SER 7 HG SER 7 -0.333 2.313 6.517
51 H CYS 8 HN CYS 8 3.312 1.434 4.408
52 HA CYS 8 HA CYS 8 3.438 0.127 1.808
53 HB2 CYS 8 HB2 CYS 8 5.542 1.345 3.600
54 HB3 CYS 8 HB1 CYS 8 5.906 0.544 2.076
55 H HIS 9 HN HIS 9 4.341 -1.839 1.444
56 HA HIS 9 HA HIS 9 5.369 -3.393 3.694
57 HB2 HIS 9 HB2 HIS 9 3.228 -4.450 1.840
58 HB3 HIS 9 HB1 HIS 9 3.924 -5.258 3.230
59 HD1 HIS 9 HD1 HIS 9 2.837 -4.808 5.491
60 HD2 HIS 9 HD2 HIS 9 1.467 -2.333 2.462
61 HE1 HIS 9 HE1 HIS 9 0.824 -3.633 6.441
62 HE2 HIS 9 HE2 HIS 9 0.169 -1.966 4.672
63 H PHE 10 HN PHE 10 7.226 -4.288 2.998
64 HA PHE 10 HA PHE 10 7.927 -4.243 0.272
65 HB2 PHE 10 HB2 PHE 10 9.574 -4.125 2.175
66 HB3 PHE 10 HB1 PHE 10 9.279 -5.838 2.456
67 HD1 PHE 10 HD1 PHE 10 9.213 -4.607 -0.963
68 HD2 PHE 10 HD2 PHE 10 11.644 -6.280 2.096
69 HE1 PHE 10 HE1 PHE 10 10.935 -5.173 -2.625
70 HE2 PHE 10 HE2 PHE 10 13.353 -6.824 0.475
71 HZ PHE 10 HZ PHE 10 12.894 -6.306 -2.021
72 H GLY 11 HN GLY 11 7.849 -5.831 -1.266
73 HA2 GLY 11 HA2 GLY 11 7.788 -8.156 -1.891
74 HA3 GLY 11 HA1 GLY 11 6.863 -8.482 -0.436
75 H GLY 12 HN GLY 12 4.959 -6.509 -0.556
76 HA2 GLY 12 HA2 GLY 12 3.680 -6.052 -2.951
77 HA3 GLY 12 HA1 GLY 12 3.106 -7.615 -2.378
78 H CYS 13 HN CYS 13 1.097 -7.215 -1.666
79 HA CYS 13 HA CYS 13 0.828 -5.432 0.614
80 HB2 CYS 13 HB2 CYS 13 -0.841 -5.200 -1.884
81 HB3 CYS 13 HB1 CYS 13 -1.228 -4.420 -0.348
82 HA PRO 14 HA PRO 14 -1.607 -8.726 2.226
83 HB2 PRO 14 HB2 PRO 14 -3.389 -6.566 3.216
84 HB3 PRO 14 HB1 PRO 14 -2.638 -7.888 4.108
85 HG2 PRO 14 HG2 PRO 14 -1.735 -5.373 4.294
86 HG3 PRO 14 HG1 PRO 14 -0.639 -6.764 4.344
87 HD2 PRO 14 HD2 PRO 14 -1.122 -4.810 2.160
88 HD3 PRO 14 HD1 PRO 14 0.353 -5.710 2.571
89 H SER 15 HN SER 15 -3.141 -9.876 1.239
90 HA SER 15 HA SER 15 -4.320 -9.415 -1.078
91 HB2 SER 15 HB2 SER 15 -6.278 -10.906 -0.126
92 HB3 SER 15 HB1 SER 15 -4.653 -11.562 -0.324
93 HG SER 15 HG SER 15 -4.284 -11.313 1.841
94 H HIS 16 HN HIS 16 -5.374 -7.978 1.889
95 HA HIS 16 HA HIS 16 -7.936 -7.147 0.900
96 HB2 HIS 16 HB2 HIS 16 -6.786 -5.652 3.155
97 HB3 HIS 16 HB1 HIS 16 -8.363 -6.413 2.993
98 HD1 HIS 16 HD1 HIS 16 -5.208 -6.788 4.680
99 HD2 HIS 16 HD2 HIS 16 -8.169 -9.331 3.299
100 HE1 HIS 16 HE1 HIS 16 -4.786 -8.979 5.811
101 HE2 HIS 16 HE2 HIS 16 -6.698 -10.457 5.104
102 H LEU 17 HN LEU 17 -4.841 -5.583 1.510
103 HA LEU 17 HA LEU 17 -5.738 -3.025 0.693
104 HB2 LEU 17 HB2 LEU 17 -2.933 -4.036 1.113
105 HB3 LEU 17 HB1 LEU 17 -3.386 -2.356 0.902
106 HG LEU 17 HG LEU 17 -4.058 -4.163 3.215
107 HD11 LEU 17 HD11 LEU 17 -1.839 -2.888 3.019
108 HD12 LEU 17 HD12 LEU 17 -2.768 -2.737 4.512
109 HD13 LEU 17 HD13 LEU 17 -2.814 -1.444 3.312
110 HD21 LEU 17 HD21 LEU 17 -5.242 -2.116 4.111
111 HD22 LEU 17 HD22 LEU 17 -6.079 -3.003 2.837
112 HD23 LEU 17 HD23 LEU 17 -5.229 -1.499 2.461
113 H ILE 18 HN ILE 18 -5.353 -1.867 -0.991
114 HA ILE 18 HA ILE 18 -4.778 -3.182 -3.510
115 HB ILE 18 HB ILE 18 -5.677 -0.869 -4.364
116 HG12 ILE 18 HG12 ILE 18 -7.456 -0.048 -2.698
117 HG13 ILE 18 HG11 ILE 18 -6.530 -0.877 -1.476
118 HG21 ILE 18 HG21 ILE 18 -7.025 -3.266 -3.383
119 HG22 ILE 18 HG22 ILE 18 -7.130 -2.458 -4.947
120 HG23 ILE 18 HG23 ILE 18 -8.068 -1.861 -3.581
121 HD11 ILE 18 HD11 ILE 18 -4.747 0.562 -1.655
122 HD12 ILE 18 HD12 ILE 18 -6.129 1.629 -1.879
123 HD13 ILE 18 HD13 ILE 18 -5.194 1.087 -3.272
124 H LYS 19 HN LYS 19 -3.128 -2.576 -4.826
125 HA LYS 19 HA LYS 19 -0.919 -1.223 -3.648
126 HB2 LYS 19 HB2 LYS 19 -0.620 -3.084 -5.203
127 HB3 LYS 19 HB1 LYS 19 -1.390 -2.161 -6.485
128 HG2 LYS 19 HG2 LYS 19 0.978 -2.131 -6.817
129 HG3 LYS 19 HG1 LYS 19 0.449 -0.515 -6.345
130 HD2 LYS 19 HD2 LYS 19 1.386 -0.686 -4.232
131 HD3 LYS 19 HD1 LYS 19 1.439 -2.448 -4.285
132 HE2 LYS 19 HE2 LYS 19 3.082 -0.695 -6.098
133 HE3 LYS 19 HE1 LYS 19 3.657 -1.256 -4.530
134 HZ1 LYS 19 HZ1 LYS 19 2.612 -3.267 -6.363
135 HZ2 LYS 19 HZ2 LYS 19 3.892 -3.368 -5.269
136 HZ3 LYS 19 HZ3 LYS 19 4.107 -2.584 -6.748
137 H VAL 20 HN VAL 20 -1.225 0.925 -3.280
138 HA VAL 20 HA VAL 20 -2.530 2.633 -5.181
139 HB VAL 20 HB VAL 20 -1.364 4.478 -3.655
140 HG11 VAL 20 HG11 VAL 20 -3.322 4.091 -1.998
141 HG12 VAL 20 HG12 VAL 20 -3.781 2.804 -3.118
142 HG13 VAL 20 HG13 VAL 20 -3.673 4.469 -3.686
143 HG21 VAL 20 HG21 VAL 20 -0.419 2.167 -2.419
144 HG22 VAL 20 HG22 VAL 20 -1.721 2.741 -1.376
145 HG23 VAL 20 HG23 VAL 20 -0.377 3.808 -1.780
146 H GLY 21 HN GLY 21 0.787 1.841 -4.357
147 HA2 GLY 21 HA2 GLY 21 1.804 2.450 -6.885
148 HA3 GLY 21 HA1 GLY 21 2.065 3.857 -5.863
149 H SER 22 HN SER 22 4.344 3.417 -6.250
150 HA SER 22 HA SER 22 5.445 1.112 -4.824
151 HB2 SER 22 HB2 SER 22 7.606 2.355 -5.887
152 HB3 SER 22 HB1 SER 22 6.652 1.156 -6.756
153 HG SER 22 HG SER 22 6.849 3.889 -7.132
154 H CYS 23 HN CYS 23 6.702 1.299 -3.013
155 HA CYS 23 HA CYS 23 6.702 3.926 -1.726
156 HB2 CYS 23 HB2 CYS 23 7.161 1.149 -0.627
157 HB3 CYS 23 HB1 CYS 23 7.275 2.625 0.328
158 H PHE 24 HN PHE 24 8.776 3.527 0.078
159 HA PHE 24 HA PHE 24 10.944 4.481 -1.299
160 HB2 PHE 24 HB2 PHE 24 10.555 4.597 1.209
161 HB3 PHE 24 HB1 PHE 24 11.159 2.944 1.287
162 HD1 PHE 24 HD1 PHE 24 12.451 5.595 -0.953
163 HD2 PHE 24 HD2 PHE 24 13.100 3.318 2.581
164 HE1 PHE 24 HE1 PHE 24 14.753 6.439 -0.833
165 HE2 PHE 24 HE2 PHE 24 15.403 4.156 2.704
166 HZ PHE 24 HZ PHE 24 16.232 5.718 0.997
167 H GLY 25 HN GLY 25 11.894 3.554 -2.861
168 HA2 GLY 25 HA2 GLY 25 13.053 2.064 -4.083
169 HA3 GLY 25 HA1 GLY 25 13.438 1.243 -2.591
170 H PHE 26 HN PHE 26 13.155 -0.754 -2.991
171 HA PHE 26 HA PHE 26 11.451 -2.000 -4.792
172 HB2 PHE 26 HB2 PHE 26 12.036 -4.034 -3.318
173 HB3 PHE 26 HB1 PHE 26 13.356 -3.168 -4.087
174 HD1 PHE 26 HD1 PHE 26 11.859 -1.397 -1.360
175 HD2 PHE 26 HD2 PHE 26 14.752 -4.366 -2.308
176 HE1 PHE 26 HE1 PHE 26 12.908 -1.098 0.846
177 HE2 PHE 26 HE2 PHE 26 15.800 -4.086 -0.129
178 HZ PHE 26 HZ PHE 26 14.922 -2.348 1.434
179 H ARG 27 HN ARG 27 10.507 -0.613 -1.847
180 HA ARG 27 HA ARG 27 8.598 -2.628 -1.162
181 HB2 ARG 27 HB2 ARG 27 9.189 0.093 -0.085
182 HB3 ARG 27 HB1 ARG 27 7.771 -0.815 0.446
183 HG2 ARG 27 HG2 ARG 27 9.175 -2.664 1.109
184 HG3 ARG 27 HG1 ARG 27 10.590 -1.812 0.513
185 HD2 ARG 27 HD2 ARG 27 8.859 -0.525 2.564
186 HD3 ARG 27 HD1 ARG 27 10.008 -1.769 3.058
187 HE ARG 27 HE ARG 27 11.281 0.115 1.408
188 HH11 ARG 27 HH11 ARG 27 9.927 -0.178 4.614
189 HH12 ARG 27 HH12 ARG 27 11.046 0.935 5.334
190 HH21 ARG 27 HH21 ARG 27 12.777 1.575 2.360
191 HH22 ARG 27 HH22 ARG 27 12.657 1.938 4.053
192 H SER 28 HN SER 28 6.382 -2.454 -1.044
193 HA SER 28 HA SER 28 5.259 -0.912 -3.266
194 HB2 SER 28 HB2 SER 28 4.493 -3.509 -1.943
195 HB3 SER 28 HB1 SER 28 3.381 -2.652 -3.014
196 HG SER 28 HG SER 28 5.872 -3.848 -3.598
197 H CYS 29 HN CYS 29 3.514 0.402 -2.967
198 HA CYS 29 HA CYS 29 2.906 1.122 -0.206
199 HB2 CYS 29 HB2 CYS 29 3.222 2.588 -2.600
200 HB3 CYS 29 HB1 CYS 29 1.518 2.706 -2.187
201 H CYS 30 HN CYS 30 1.092 0.459 0.748
202 HA CYS 30 HA CYS 30 -1.018 -0.669 -0.954
203 HB2 CYS 30 HB2 CYS 30 -0.445 -1.463 1.889
204 HB3 CYS 30 HB1 CYS 30 -1.327 -2.354 0.649
205 H ALA 31 HN ALA 31 -3.007 -0.097 -0.647
206 HA ALA 31 HA ALA 31 -3.743 1.612 1.609
207 HB1 ALA 31 HB1 ALA 31 -5.238 2.695 -0.333
208 HB2 ALA 31 HB2 ALA 31 -3.824 2.239 -1.273
209 HB3 ALA 31 HB3 ALA 31 -3.647 3.313 0.108
210 H TRP 32 HN TRP 32 -6.267 1.762 1.584
211 HA TRP 32 HA TRP 32 -7.164 -0.965 1.394
212 HB2 TRP 32 HB2 TRP 32 -7.951 1.466 2.841
213 HB3 TRP 32 HB1 TRP 32 -9.250 0.330 2.486
214 HD1 TRP 32 HD1 TRP 32 -6.269 0.859 4.768
215 HE1 TRP 32 HE1 TRP 32 -6.152 -1.113 6.443
216 HE3 TRP 32 HE3 TRP 32 -9.691 -2.143 2.609
217 HZ2 TRP 32 HZ2 TRP 32 -7.398 -3.651 6.765
218 HZ3 TRP 32 HZ3 TRP 32 -10.208 -4.347 3.624
219 HH2 TRP 32 HH2 TRP 32 -9.073 -5.079 5.665
220 HA PRO 33 HA PRO 33 -9.252 -0.853 -2.483
221 HB2 PRO 33 HB2 PRO 33 -11.422 -2.419 -1.751
222 HB3 PRO 33 HB1 PRO 33 -9.845 -3.016 -2.281
223 HG2 PRO 33 HG2 PRO 33 -10.859 -2.570 0.511
224 HG3 PRO 33 HG1 PRO 33 -9.969 -3.962 -0.145
225 HD2 PRO 33 HD2 PRO 33 -8.656 -2.185 1.257
226 HD3 PRO 33 HD1 PRO 33 -7.957 -2.735 -0.269
227 H TRP 34 HN TRP 34 -11.102 0.285 0.312
228 HA TRP 34 HA TRP 34 -13.577 0.758 -0.353
229 HB2 TRP 34 HB2 TRP 34 -13.001 3.388 0.213
230 HB3 TRP 34 HB1 TRP 34 -13.310 2.123 1.397
231 HD1 TRP 34 HD1 TRP 34 -11.546 1.979 3.187
232 HE1 TRP 34 HE1 TRP 34 -9.058 2.470 3.356
233 HE3 TRP 34 HE3 TRP 34 -10.658 3.613 -1.570
234 HZ2 TRP 34 HZ2 TRP 34 -6.967 3.337 1.711
235 HZ3 TRP 34 HZ3 TRP 34 -8.382 4.208 -2.213
236 HH2 TRP 34 HH2 TRP 34 -6.581 4.103 -0.611
237 H ASN 35 HN ASN 35 -10.997 2.278 -2.147
238 HA ASN 35 HA ASN 35 -12.760 2.863 -4.369
239 HB2 ASN 35 HB2 ASN 35 -11.119 5.181 -3.479
240 HB3 ASN 35 HB1 ASN 35 -12.665 5.173 -4.315
241 HD21 ASN 35 HD21 ASN 35 -11.053 5.579 -1.391
242 HD22 ASN 35 HD22 ASN 35 -12.429 5.695 -0.353
243 H ALA 36 HN ALA 36 -10.542 1.131 -3.935
244 HA ALA 36 HA ALA 36 -8.755 2.133 -5.983
245 HB1 ALA 36 HB1 ALA 36 -6.843 1.250 -4.366
246 HB2 ALA 36 HB2 ALA 36 -7.994 1.791 -3.141
247 HB3 ALA 36 HB3 ALA 36 -7.392 2.925 -4.351
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 5.814 3.178 7.841
2 H2 LEU 1 HT2 LEU 1 7.212 2.967 6.916
3 H3 LEU 1 HT3 LEU 1 5.797 2.136 6.514
4 HA LEU 1 HA LEU 1 5.930 5.081 6.530
5 HB2 LEU 1 HB2 LEU 1 7.638 4.115 4.987
6 HB3 LEU 1 HB1 LEU 1 6.356 3.227 4.183
7 HG LEU 1 HG LEU 1 5.278 5.497 3.726
8 HD11 LEU 1 HD11 LEU 1 6.811 7.405 3.653
9 HD12 LEU 1 HD12 LEU 1 8.046 6.432 4.453
10 HD13 LEU 1 HD13 LEU 1 6.547 6.825 5.297
11 HD21 LEU 1 HD21 LEU 1 6.291 4.189 1.978
12 HD22 LEU 1 HD22 LEU 1 7.894 4.777 2.422
13 HD23 LEU 1 HD23 LEU 1 6.697 5.891 1.760
14 H PHE 2 HN PHE 2 4.038 5.991 5.956
15 HA PHE 2 HA PHE 2 1.768 4.247 5.609
16 HB2 PHE 2 HB2 PHE 2 1.753 6.360 7.062
17 HB3 PHE 2 HB1 PHE 2 1.722 7.259 5.546
18 HD1 PHE 2 HD2 PHE 2 -0.210 7.091 4.042
19 HD2 PHE 2 HD1 PHE 2 -0.204 5.245 7.878
20 HE1 PHE 2 HE2 PHE 2 -2.655 6.860 3.935
21 HE2 PHE 2 HE1 PHE 2 -2.649 5.004 7.772
22 HZ PHE 2 HZ PHE 2 -3.879 5.814 5.823
23 H CYS 3 HN CYS 3 0.180 4.826 3.896
24 HA CYS 3 HA CYS 3 1.313 6.000 1.485
25 HB2 CYS 3 HB2 CYS 3 0.122 3.213 1.537
26 HB3 CYS 3 HB1 CYS 3 0.668 4.078 0.104
27 H LYS 4 HN LYS 4 -0.250 7.035 0.293
28 HA LYS 4 HA LYS 4 -2.531 7.964 1.392
29 HB2 LYS 4 HB2 LYS 4 -2.054 7.372 -1.526
30 HB3 LYS 4 HB1 LYS 4 -3.377 8.358 -0.919
31 HG2 LYS 4 HG2 LYS 4 -1.830 9.968 -0.022
32 HG3 LYS 4 HG1 LYS 4 -0.464 8.954 -0.473
33 HD2 LYS 4 HD2 LYS 4 -0.687 10.719 -2.091
34 HD3 LYS 4 HD1 LYS 4 -1.123 9.190 -2.850
35 HE2 LYS 4 HE2 LYS 4 -3.156 11.079 -1.688
36 HE3 LYS 4 HE1 LYS 4 -2.615 11.174 -3.360
37 HZ1 LYS 4 HZ1 LYS 4 -3.383 8.525 -2.684
38 HZ2 LYS 4 HZ2 LYS 4 -3.958 9.524 -3.912
39 HZ3 LYS 4 HZ3 LYS 4 -4.641 9.608 -2.371
40 H GLY 5 HN GLY 5 -3.424 6.209 2.600
41 HA2 GLY 5 HA2 GLY 5 -5.796 5.289 2.210
42 HA3 GLY 5 HA1 GLY 5 -4.979 4.289 1.026
43 H GLY 6 HN GLY 6 -2.610 3.824 2.518
44 HA2 GLY 6 HA2 GLY 6 -3.402 2.599 5.024
45 HA3 GLY 6 HA1 GLY 6 -2.982 1.472 3.740
46 H SER 7 HN SER 7 -0.948 0.782 3.841
47 HA SER 7 HA SER 7 1.164 2.686 4.476
48 HB2 SER 7 HB2 SER 7 0.865 0.057 5.945
49 HB3 SER 7 HB1 SER 7 2.179 1.215 6.143
50 HG SER 7 HG SER 7 -0.109 2.528 6.454
51 H CYS 8 HN CYS 8 3.354 1.623 4.171
52 HA CYS 8 HA CYS 8 3.264 0.169 1.649
53 HB2 CYS 8 HB2 CYS 8 4.860 1.622 1.111
54 HB3 CYS 8 HB1 CYS 8 4.867 2.258 2.747
55 H HIS 9 HN HIS 9 3.981 -1.788 1.334
56 HA HIS 9 HA HIS 9 5.290 -3.249 3.528
57 HB2 HIS 9 HB2 HIS 9 3.150 -4.314 1.669
58 HB3 HIS 9 HB1 HIS 9 3.913 -5.189 2.994
59 HD1 HIS 9 HD1 HIS 9 2.823 -4.974 5.268
60 HD2 HIS 9 HD2 HIS 9 1.412 -2.196 2.535
61 HE1 HIS 9 HE1 HIS 9 0.857 -3.865 6.383
62 HE2 HIS 9 HE2 HIS 9 0.131 -2.077 4.774
63 H PHE 10 HN PHE 10 7.010 -4.468 2.856
64 HA PHE 10 HA PHE 10 7.848 -4.202 0.149
65 HB2 PHE 10 HB2 PHE 10 9.348 -4.305 2.266
66 HB3 PHE 10 HB1 PHE 10 9.147 -6.046 2.138
67 HD1 PHE 10 HD1 PHE 10 9.109 -4.387 -1.022
68 HD2 PHE 10 HD2 PHE 10 11.685 -5.982 1.958
69 HE1 PHE 10 HE1 PHE 10 10.946 -4.500 -2.651
70 HE2 PHE 10 HE2 PHE 10 13.502 -6.095 0.366
71 HZ PHE 10 HZ PHE 10 13.120 -5.312 -2.003
72 H GLY 11 HN GLY 11 7.955 -5.765 -1.446
73 HA2 GLY 11 HA2 GLY 11 7.799 -7.934 -2.327
74 HA3 GLY 11 HA1 GLY 11 7.053 -8.471 -0.833
75 H GLY 12 HN GLY 12 5.001 -6.581 -0.635
76 HA2 GLY 12 HA2 GLY 12 3.517 -6.237 -2.971
77 HA3 GLY 12 HA1 GLY 12 3.043 -7.760 -2.238
78 H CYS 13 HN CYS 13 1.071 -7.312 -1.500
79 HA CYS 13 HA CYS 13 0.837 -5.499 0.748
80 HB2 CYS 13 HB2 CYS 13 -0.783 -5.204 -1.777
81 HB3 CYS 13 HB1 CYS 13 -1.180 -4.413 -0.249
82 HA PRO 14 HA PRO 14 -1.717 -8.786 2.239
83 HB2 PRO 14 HB2 PRO 14 -3.483 -6.667 3.311
84 HB3 PRO 14 HB1 PRO 14 -2.705 -8.004 4.150
85 HG2 PRO 14 HG2 PRO 14 -1.854 -5.447 4.367
86 HG3 PRO 14 HG1 PRO 14 -0.770 -6.839 4.499
87 HD2 PRO 14 HD2 PRO 14 -1.067 -4.881 2.306
88 HD3 PRO 14 HD1 PRO 14 0.331 -5.879 2.751
89 H SER 15 HN SER 15 -3.247 -9.851 1.156
90 HA SER 15 HA SER 15 -4.399 -9.215 -1.144
91 HB2 SER 15 HB2 SER 15 -5.884 -10.736 0.998
92 HB3 SER 15 HB1 SER 15 -6.054 -10.920 -0.747
93 HG SER 15 HG SER 15 -3.562 -11.306 -0.433
94 H HIS 16 HN HIS 16 -5.522 -8.094 1.975
95 HA HIS 16 HA HIS 16 -8.038 -7.105 1.148
96 HB2 HIS 16 HB2 HIS 16 -6.602 -5.583 3.229
97 HB3 HIS 16 HB1 HIS 16 -8.249 -6.190 3.220
98 HD1 HIS 16 HD1 HIS 16 -5.291 -6.612 4.996
99 HD2 HIS 16 HD2 HIS 16 -8.053 -9.255 3.401
100 HE1 HIS 16 HE1 HIS 16 -4.927 -8.764 6.201
101 HE2 HIS 16 HE2 HIS 16 -6.775 -10.281 5.406
102 H LEU 17 HN LEU 17 -4.894 -5.583 1.536
103 HA LEU 17 HA LEU 17 -5.758 -3.039 0.658
104 HB2 LEU 17 HB2 LEU 17 -2.965 -4.098 1.013
105 HB3 LEU 17 HB1 LEU 17 -3.397 -2.414 0.789
106 HG LEU 17 HG LEU 17 -4.019 -4.172 3.152
107 HD11 LEU 17 HD11 LEU 17 -1.807 -2.823 2.765
108 HD12 LEU 17 HD12 LEU 17 -2.585 -2.865 4.343
109 HD13 LEU 17 HD13 LEU 17 -2.805 -1.465 3.291
110 HD21 LEU 17 HD21 LEU 17 -5.150 -1.469 2.453
111 HD22 LEU 17 HD22 LEU 17 -5.179 -2.154 4.074
112 HD23 LEU 17 HD23 LEU 17 -6.038 -2.963 2.764
113 H ILE 18 HN ILE 18 -5.075 -1.859 -1.020
114 HA ILE 18 HA ILE 18 -4.659 -3.266 -3.539
115 HB ILE 18 HB ILE 18 -5.592 -0.942 -4.394
116 HG12 ILE 18 HG12 ILE 18 -7.412 -0.221 -2.706
117 HG13 ILE 18 HG11 ILE 18 -6.438 -1.040 -1.505
118 HG21 ILE 18 HG21 ILE 18 -7.966 -2.025 -3.624
119 HG22 ILE 18 HG22 ILE 18 -6.877 -3.405 -3.497
120 HG23 ILE 18 HG23 ILE 18 -7.025 -2.535 -5.024
121 HD11 ILE 18 HD11 ILE 18 -6.132 1.481 -1.841
122 HD12 ILE 18 HD12 ILE 18 -5.226 1.027 -3.285
123 HD13 ILE 18 HD13 ILE 18 -4.700 0.467 -1.703
124 H LYS 19 HN LYS 19 -3.004 -2.651 -4.858
125 HA LYS 19 HA LYS 19 -0.814 -1.260 -3.703
126 HB2 LYS 19 HB2 LYS 19 -0.487 -3.123 -5.237
127 HB3 LYS 19 HB1 LYS 19 -1.277 -2.234 -6.525
128 HG2 LYS 19 HG2 LYS 19 1.029 -2.103 -6.950
129 HG3 LYS 19 HG1 LYS 19 0.556 -0.525 -6.321
130 HD2 LYS 19 HD2 LYS 19 1.529 -0.958 -4.220
131 HD3 LYS 19 HD1 LYS 19 1.685 -2.684 -4.559
132 HE2 LYS 19 HE2 LYS 19 3.125 -0.547 -6.117
133 HE3 LYS 19 HE1 LYS 19 3.816 -1.347 -4.709
134 HZ1 LYS 19 HZ1 LYS 19 4.622 -2.588 -6.460
135 HZ2 LYS 19 HZ2 LYS 19 3.197 -2.475 -7.356
136 HZ3 LYS 19 HZ3 LYS 19 3.265 -3.485 -6.008
137 H VAL 20 HN VAL 20 -1.253 0.866 -3.304
138 HA VAL 20 HA VAL 20 -2.490 2.593 -5.235
139 HB VAL 20 HB VAL 20 -1.385 4.387 -3.579
140 HG11 VAL 20 HG11 VAL 20 -3.837 2.706 -3.186
141 HG12 VAL 20 HG12 VAL 20 -3.707 4.347 -3.812
142 HG13 VAL 20 HG13 VAL 20 -3.439 4.038 -2.097
143 HG21 VAL 20 HG21 VAL 20 -1.722 2.011 -1.764
144 HG22 VAL 20 HG22 VAL 20 -1.083 3.607 -1.369
145 HG23 VAL 20 HG23 VAL 20 -0.157 2.516 -2.398
146 H GLY 21 HN GLY 21 0.763 1.781 -4.285
147 HA2 GLY 21 HA2 GLY 21 1.919 2.579 -6.710
148 HA3 GLY 21 HA1 GLY 21 2.150 3.871 -5.539
149 H SER 22 HN SER 22 4.454 3.390 -5.808
150 HA SER 22 HA SER 22 5.360 0.896 -4.604
151 HB2 SER 22 HB2 SER 22 7.643 1.797 -5.222
152 HB3 SER 22 HB1 SER 22 6.551 1.517 -6.576
153 HG SER 22 HG SER 22 6.344 3.631 -6.888
154 H CYS 23 HN CYS 23 7.626 1.559 -3.313
155 HA CYS 23 HA CYS 23 6.949 3.603 -1.336
156 HB2 CYS 23 HB2 CYS 23 6.074 1.537 -0.425
157 HB3 CYS 23 HB1 CYS 23 7.580 0.721 -0.754
158 H PHE 24 HN PHE 24 9.078 3.059 0.387
159 HA PHE 24 HA PHE 24 11.197 4.219 -1.039
160 HB2 PHE 24 HB2 PHE 24 10.674 4.775 1.307
161 HB3 PHE 24 HB1 PHE 24 11.161 3.152 1.775
162 HD1 PHE 24 HD1 PHE 24 12.700 5.611 -0.557
163 HD2 PHE 24 HD2 PHE 24 13.097 3.336 3.011
164 HE1 PHE 24 HE1 PHE 24 15.025 6.376 -0.333
165 HE2 PHE 24 HE2 PHE 24 15.423 4.101 3.243
166 HZ PHE 24 HZ PHE 24 16.390 5.624 1.570
167 H GLY 25 HN GLY 25 12.955 3.475 -1.796
168 HA2 GLY 25 HA2 GLY 25 14.604 2.092 -2.399
169 HA3 GLY 25 HA1 GLY 25 14.211 1.080 -1.041
170 H PHE 26 HN PHE 26 11.680 0.204 -1.757
171 HA PHE 26 HA PHE 26 11.492 -0.814 -4.385
172 HB2 PHE 26 HB2 PHE 26 12.112 -3.237 -3.515
173 HB3 PHE 26 HB1 PHE 26 13.350 -2.138 -4.108
174 HD1 PHE 26 HD1 PHE 26 11.846 -1.372 -0.907
175 HD2 PHE 26 HD2 PHE 26 15.024 -3.449 -2.820
176 HE1 PHE 26 HE1 PHE 26 13.013 -1.591 1.249
177 HE2 PHE 26 HE2 PHE 26 16.180 -3.695 -0.694
178 HZ PHE 26 HZ PHE 26 15.247 -2.540 1.342
179 H ARG 27 HN ARG 27 10.421 -0.479 -1.242
180 HA ARG 27 HA ARG 27 8.621 -2.622 -1.011
181 HB2 ARG 27 HB2 ARG 27 8.889 0.027 0.344
182 HB3 ARG 27 HB1 ARG 27 7.488 -0.992 0.659
183 HG2 ARG 27 HG2 ARG 27 8.896 -2.755 1.436
184 HG3 ARG 27 HG1 ARG 27 10.334 -1.859 0.970
185 HD2 ARG 27 HD2 ARG 27 8.351 -0.825 2.972
186 HD3 ARG 27 HD1 ARG 27 9.728 -1.824 3.428
187 HE ARG 27 HE ARG 27 10.717 0.258 1.895
188 HH11 ARG 27 HH11 ARG 27 8.988 -0.088 4.916
189 HH12 ARG 27 HH12 ARG 27 9.787 1.250 5.676
190 HH21 ARG 27 HH21 ARG 27 11.786 2.007 2.898
191 HH22 ARG 27 HH22 ARG 27 11.366 2.459 4.519
192 H SER 28 HN SER 28 6.306 -2.509 -0.978
193 HA SER 28 HA SER 28 5.300 -0.903 -3.209
194 HB2 SER 28 HB2 SER 28 3.353 -2.771 -2.649
195 HB3 SER 28 HB1 SER 28 4.638 -2.976 -3.843
196 HG SER 28 HG SER 28 4.437 -4.013 -1.238
197 H CYS 29 HN CYS 29 3.596 0.496 -2.880
198 HA CYS 29 HA CYS 29 2.932 1.015 -0.100
199 HB2 CYS 29 HB2 CYS 29 3.096 2.612 -2.517
200 HB3 CYS 29 HB1 CYS 29 1.575 2.869 -1.678
201 H CYS 30 HN CYS 30 1.135 0.359 0.783
202 HA CYS 30 HA CYS 30 -0.982 -0.693 -0.950
203 HB2 CYS 30 HB2 CYS 30 -0.514 -1.457 1.915
204 HB3 CYS 30 HB1 CYS 30 -1.322 -2.369 0.640
205 H ALA 31 HN ALA 31 -2.979 -0.128 -0.658
206 HA ALA 31 HA ALA 31 -3.724 1.631 1.557
207 HB1 ALA 31 HB1 ALA 31 -3.583 3.282 -0.016
208 HB2 ALA 31 HB2 ALA 31 -5.213 2.704 -0.364
209 HB3 ALA 31 HB3 ALA 31 -3.861 2.174 -1.354
210 H TRP 32 HN TRP 32 -6.252 1.764 1.514
211 HA TRP 32 HA TRP 32 -7.122 -0.976 1.382
212 HB2 TRP 32 HB2 TRP 32 -7.925 1.481 2.771
213 HB3 TRP 32 HB1 TRP 32 -9.212 0.314 2.459
214 HD1 TRP 32 HD1 TRP 32 -6.198 0.948 4.666
215 HE1 TRP 32 HE1 TRP 32 -6.023 -0.964 6.391
216 HE3 TRP 32 HE3 TRP 32 -9.627 -2.150 2.668
217 HZ2 TRP 32 HZ2 TRP 32 -7.223 -3.512 6.816
218 HZ3 TRP 32 HZ3 TRP 32 -10.091 -4.332 3.754
219 HH2 TRP 32 HH2 TRP 32 -8.905 -4.992 5.788
220 HA PRO 33 HA PRO 33 -9.206 -0.933 -2.493
221 HB2 PRO 33 HB2 PRO 33 -11.298 -2.584 -1.783
222 HB3 PRO 33 HB1 PRO 33 -9.683 -3.122 -2.257
223 HG2 PRO 33 HG2 PRO 33 -10.782 -2.652 0.503
224 HG3 PRO 33 HG1 PRO 33 -9.849 -4.041 -0.105
225 HD2 PRO 33 HD2 PRO 33 -8.605 -2.204 1.280
226 HD3 PRO 33 HD1 PRO 33 -7.865 -2.767 -0.224
227 H TRP 34 HN TRP 34 -10.991 0.263 0.289
228 HA TRP 34 HA TRP 34 -13.521 0.599 -0.330
229 HB2 TRP 34 HB2 TRP 34 -12.982 3.271 0.128
230 HB3 TRP 34 HB1 TRP 34 -13.279 2.047 1.357
231 HD1 TRP 34 HD1 TRP 34 -11.497 1.953 3.136
232 HE1 TRP 34 HE1 TRP 34 -9.011 2.477 3.280
233 HE3 TRP 34 HE3 TRP 34 -10.677 3.469 -1.665
234 HZ2 TRP 34 HZ2 TRP 34 -6.943 3.337 1.587
235 HZ3 TRP 34 HZ3 TRP 34 -8.418 4.085 -2.348
236 HH2 TRP 34 HH2 TRP 34 -6.597 4.048 -0.764
237 H ASN 35 HN ASN 35 -11.003 2.105 -2.212
238 HA ASN 35 HA ASN 35 -12.816 2.576 -4.426
239 HB2 ASN 35 HB2 ASN 35 -11.178 4.939 -3.638
240 HB3 ASN 35 HB1 ASN 35 -12.724 4.890 -4.477
241 HD21 ASN 35 HD21 ASN 35 -11.119 5.361 -1.549
242 HD22 ASN 35 HD22 ASN 35 -12.503 5.502 -0.523
243 H ALA 36 HN ALA 36 -10.536 0.907 -3.906
244 HA ALA 36 HA ALA 36 -8.802 1.853 -6.041
245 HB1 ALA 36 HB1 ALA 36 -8.009 1.568 -3.207
246 HB2 ALA 36 HB2 ALA 36 -7.396 2.650 -4.458
247 HB3 ALA 36 HB3 ALA 36 -6.880 0.966 -4.422
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 6.314 2.724 7.750
2 H2 LEU 1 HT2 LEU 1 6.585 1.780 6.377
3 H3 LEU 1 HT3 LEU 1 5.024 1.950 6.989
4 HA LEU 1 HA LEU 1 5.918 4.514 6.550
5 HB2 LEU 1 HB2 LEU 1 7.591 3.089 5.120
6 HB3 LEU 1 HB1 LEU 1 6.221 2.886 4.045
7 HG LEU 1 HG LEU 1 7.721 4.686 3.311
8 HD11 LEU 1 HD11 LEU 1 5.181 4.701 2.994
9 HD12 LEU 1 HD12 LEU 1 6.064 6.202 2.717
10 HD13 LEU 1 HD13 LEU 1 5.176 5.968 4.222
11 HD21 LEU 1 HD21 LEU 1 7.957 6.725 4.566
12 HD22 LEU 1 HD22 LEU 1 8.476 5.370 5.567
13 HD23 LEU 1 HD23 LEU 1 6.899 6.113 5.834
14 H PHE 2 HN PHE 2 4.003 5.500 6.223
15 HA PHE 2 HA PHE 2 1.730 3.924 5.511
16 HB2 PHE 2 HB2 PHE 2 1.732 5.903 7.150
17 HB3 PHE 2 HB1 PHE 2 1.717 6.925 5.713
18 HD1 PHE 2 HD2 PHE 2 -0.199 6.929 4.206
19 HD2 PHE 2 HD1 PHE 2 -0.230 4.664 7.810
20 HE1 PHE 2 HE2 PHE 2 -2.644 6.708 4.044
21 HE2 PHE 2 HE1 PHE 2 -2.671 4.442 7.657
22 HZ PHE 2 HZ PHE 2 -3.878 5.410 5.781
23 H CYS 3 HN CYS 3 0.220 4.614 3.829
24 HA CYS 3 HA CYS 3 1.424 5.945 1.530
25 HB2 CYS 3 HB2 CYS 3 0.159 3.198 1.396
26 HB3 CYS 3 HB1 CYS 3 0.745 4.132 0.022
27 H LYS 4 HN LYS 4 -0.068 7.049 0.329
28 HA LYS 4 HA LYS 4 -2.315 8.064 1.408
29 HB2 LYS 4 HB2 LYS 4 -1.906 7.482 -1.529
30 HB3 LYS 4 HB1 LYS 4 -3.057 8.634 -0.865
31 HG2 LYS 4 HG2 LYS 4 -1.306 10.026 -0.044
32 HG3 LYS 4 HG1 LYS 4 -0.088 8.813 -0.430
33 HD2 LYS 4 HD2 LYS 4 -0.046 10.578 -2.083
34 HD3 LYS 4 HD1 LYS 4 -0.606 9.080 -2.822
35 HE2 LYS 4 HE2 LYS 4 -2.471 11.216 -1.813
36 HE3 LYS 4 HE1 LYS 4 -1.856 11.179 -3.463
37 HZ1 LYS 4 HZ1 LYS 4 -4.047 9.816 -2.427
38 HZ2 LYS 4 HZ2 LYS 4 -2.887 8.651 -2.817
39 HZ3 LYS 4 HZ3 LYS 4 -3.420 9.737 -3.992
40 H GLY 5 HN GLY 5 -3.354 6.323 2.557
41 HA2 GLY 5 HA2 GLY 5 -5.741 5.529 2.113
42 HA3 GLY 5 HA1 GLY 5 -4.987 4.572 0.858
43 H GLY 6 HN GLY 6 -2.634 3.896 2.396
44 HA2 GLY 6 HA2 GLY 6 -3.575 2.544 4.771
45 HA3 GLY 6 HA1 GLY 6 -3.223 1.473 3.423
46 H SER 7 HN SER 7 -1.386 0.464 4.018
47 HA SER 7 HA SER 7 0.897 2.172 4.730
48 HB2 SER 7 HB2 SER 7 0.341 -0.605 5.795
49 HB3 SER 7 HB1 SER 7 1.702 0.427 6.231
50 HG SER 7 HG SER 7 -0.984 1.257 6.587
51 H CYS 8 HN CYS 8 3.000 1.278 4.223
52 HA CYS 8 HA CYS 8 2.964 -0.150 1.674
53 HB2 CYS 8 HB2 CYS 8 4.556 1.306 1.090
54 HB3 CYS 8 HB1 CYS 8 4.379 2.084 2.651
55 H HIS 9 HN HIS 9 3.938 -2.044 1.338
56 HA HIS 9 HA HIS 9 5.336 -3.331 3.573
57 HB2 HIS 9 HB2 HIS 9 3.282 -4.722 1.848
58 HB3 HIS 9 HB1 HIS 9 4.080 -5.351 3.282
59 HD1 HIS 9 HD1 HIS 9 3.090 -4.674 5.571
60 HD2 HIS 9 HD2 HIS 9 1.222 -2.895 2.327
61 HE1 HIS 9 HE1 HIS 9 0.969 -3.666 6.480
62 HE2 HIS 9 HE2 HIS 9 -0.093 -2.509 4.521
63 H PHE 10 HN PHE 10 7.028 -4.572 2.937
64 HA PHE 10 HA PHE 10 7.958 -4.223 0.296
65 HB2 PHE 10 HB2 PHE 10 9.405 -4.494 2.403
66 HB3 PHE 10 HB1 PHE 10 9.108 -6.219 2.234
67 HD1 PHE 10 HD1 PHE 10 9.253 -4.405 -0.867
68 HD2 PHE 10 HD2 PHE 10 11.607 -6.381 2.064
69 HE1 PHE 10 HE1 PHE 10 11.113 -4.595 -2.463
70 HE2 PHE 10 HE2 PHE 10 13.441 -6.576 0.506
71 HZ PHE 10 HZ PHE 10 13.150 -5.609 -1.865
72 H GLY 11 HN GLY 11 7.861 -5.538 -1.437
73 HA2 GLY 11 HA2 GLY 11 7.815 -7.668 -2.476
74 HA3 GLY 11 HA1 GLY 11 7.007 -8.318 -1.064
75 H GLY 12 HN GLY 12 4.911 -6.523 -0.792
76 HA2 GLY 12 HA2 GLY 12 3.539 -6.020 -3.196
77 HA3 GLY 12 HA1 GLY 12 3.033 -7.570 -2.541
78 H CYS 13 HN CYS 13 1.049 -7.200 -1.773
79 HA CYS 13 HA CYS 13 0.788 -5.318 0.428
80 HB2 CYS 13 HB2 CYS 13 -0.873 -5.223 -2.080
81 HB3 CYS 13 HB1 CYS 13 -1.332 -4.418 -0.582
82 HA PRO 14 HA PRO 14 -1.573 -8.572 2.258
83 HB2 PRO 14 HB2 PRO 14 -3.307 -6.337 3.171
84 HB3 PRO 14 HB1 PRO 14 -2.576 -7.634 4.111
85 HG2 PRO 14 HG2 PRO 14 -1.619 -5.130 4.165
86 HG3 PRO 14 HG1 PRO 14 -0.559 -6.544 4.292
87 HD2 PRO 14 HD2 PRO 14 -0.961 -4.678 2.026
88 HD3 PRO 14 HD1 PRO 14 0.460 -5.648 2.453
89 H SER 15 HN SER 15 -3.110 -9.750 1.305
90 HA SER 15 HA SER 15 -4.367 -9.306 -0.988
91 HB2 SER 15 HB2 SER 15 -5.696 -10.734 1.320
92 HB3 SER 15 HB1 SER 15 -5.971 -11.018 -0.400
93 HG SER 15 HG SER 15 -3.578 -11.455 -0.407
94 H HIS 16 HN HIS 16 -5.274 -7.884 2.034
95 HA HIS 16 HA HIS 16 -7.878 -7.043 1.190
96 HB2 HIS 16 HB2 HIS 16 -6.619 -5.503 3.344
97 HB3 HIS 16 HB1 HIS 16 -8.175 -6.315 3.307
98 HD1 HIS 16 HD1 HIS 16 -4.923 -6.526 4.786
99 HD2 HIS 16 HD2 HIS 16 -7.848 -9.234 3.679
100 HE1 HIS 16 HE1 HIS 16 -4.346 -8.647 5.968
101 HE2 HIS 16 HE2 HIS 16 -6.253 -10.206 5.465
102 H LEU 17 HN LEU 17 -4.776 -5.436 1.682
103 HA LEU 17 HA LEU 17 -5.705 -2.913 0.786
104 HB2 LEU 17 HB2 LEU 17 -2.893 -3.909 1.175
105 HB3 LEU 17 HB1 LEU 17 -3.346 -2.239 0.893
106 HG LEU 17 HG LEU 17 -3.866 -3.922 3.323
107 HD11 LEU 17 HD11 LEU 17 -2.515 -1.287 2.819
108 HD12 LEU 17 HD12 LEU 17 -1.772 -2.799 3.350
109 HD13 LEU 17 HD13 LEU 17 -2.867 -1.926 4.423
110 HD21 LEU 17 HD21 LEU 17 -5.121 -1.904 4.167
111 HD22 LEU 17 HD22 LEU 17 -5.969 -2.907 2.990
112 HD23 LEU 17 HD23 LEU 17 -5.232 -1.381 2.488
113 H ILE 18 HN ILE 18 -5.319 -1.812 -0.953
114 HA ILE 18 HA ILE 18 -4.774 -3.243 -3.418
115 HB ILE 18 HB ILE 18 -5.636 -0.939 -4.362
116 HG12 ILE 18 HG12 ILE 18 -7.458 -0.095 -2.723
117 HG13 ILE 18 HG11 ILE 18 -6.498 -0.851 -1.481
118 HG21 ILE 18 HG21 ILE 18 -7.062 -2.572 -4.921
119 HG22 ILE 18 HG22 ILE 18 -8.048 -1.876 -3.636
120 HG23 ILE 18 HG23 ILE 18 -7.042 -3.285 -3.310
121 HD11 ILE 18 HD11 ILE 18 -6.151 1.630 -1.936
122 HD12 ILE 18 HD12 ILE 18 -5.279 1.104 -3.377
123 HD13 ILE 18 HD13 ILE 18 -4.726 0.608 -1.782
124 H LYS 19 HN LYS 19 -3.074 -2.759 -4.711
125 HA LYS 19 HA LYS 19 -0.860 -1.382 -3.601
126 HB2 LYS 19 HB2 LYS 19 -0.633 -3.292 -5.140
127 HB3 LYS 19 HB1 LYS 19 -1.340 -2.340 -6.433
128 HG2 LYS 19 HG2 LYS 19 1.019 -2.410 -6.751
129 HG3 LYS 19 HG1 LYS 19 0.581 -0.775 -6.255
130 HD2 LYS 19 HD2 LYS 19 1.405 -1.127 -4.060
131 HD3 LYS 19 HD1 LYS 19 1.560 -2.864 -4.320
132 HE2 LYS 19 HE2 LYS 19 3.088 -0.890 -5.981
133 HE3 LYS 19 HE1 LYS 19 3.689 -1.414 -4.413
134 HZ1 LYS 19 HZ1 LYS 19 4.442 -2.668 -6.505
135 HZ2 LYS 19 HZ2 LYS 19 2.917 -3.394 -6.458
136 HZ3 LYS 19 HZ3 LYS 19 3.974 -3.574 -5.155
137 H VAL 20 HN VAL 20 -1.058 0.769 -3.288
138 HA VAL 20 HA VAL 20 -2.398 2.468 -5.203
139 HB VAL 20 HB VAL 20 -1.165 4.251 -3.568
140 HG11 VAL 20 HG11 VAL 20 -3.301 4.111 -2.173
141 HG12 VAL 20 HG12 VAL 20 -3.768 2.789 -3.248
142 HG13 VAL 20 HG13 VAL 20 -3.476 4.398 -3.906
143 HG21 VAL 20 HG21 VAL 20 -1.236 3.409 -1.278
144 HG22 VAL 20 HG22 VAL 20 -0.073 2.509 -2.251
145 HG23 VAL 20 HG23 VAL 20 -1.642 1.800 -1.875
146 H GLY 21 HN GLY 21 0.869 1.639 -4.315
147 HA2 GLY 21 HA2 GLY 21 2.003 2.302 -6.766
148 HA3 GLY 21 HA1 GLY 21 2.210 3.697 -5.715
149 H SER 22 HN SER 22 4.502 3.360 -5.831
150 HA SER 22 HA SER 22 5.519 0.950 -4.540
151 HB2 SER 22 HB2 SER 22 7.770 2.126 -5.112
152 HB3 SER 22 HB1 SER 22 6.814 1.428 -6.418
153 HG SER 22 HG SER 22 6.650 3.346 -7.240
154 H CYS 23 HN CYS 23 7.403 1.349 -2.986
155 HA CYS 23 HA CYS 23 6.697 3.511 -1.114
156 HB2 CYS 23 HB2 CYS 23 5.985 1.290 -0.313
157 HB3 CYS 23 HB1 CYS 23 7.627 0.715 -0.483
158 H PHE 24 HN PHE 24 8.819 3.093 0.658
159 HA PHE 24 HA PHE 24 10.925 4.355 -0.754
160 HB2 PHE 24 HB2 PHE 24 10.358 5.101 1.481
161 HB3 PHE 24 HB1 PHE 24 10.684 3.495 2.124
162 HD1 PHE 24 HD1 PHE 24 12.473 5.948 -0.048
163 HD2 PHE 24 HD2 PHE 24 12.635 3.335 3.304
164 HE1 PHE 24 HE1 PHE 24 14.825 6.574 0.320
165 HE2 PHE 24 HE2 PHE 24 14.984 3.957 3.682
166 HZ PHE 24 HZ PHE 24 16.083 5.577 2.190
167 H GLY 25 HN GLY 25 12.791 3.654 -1.329
168 HA2 GLY 25 HA2 GLY 25 14.556 2.324 -1.678
169 HA3 GLY 25 HA1 GLY 25 14.061 1.352 -0.326
170 H PHE 26 HN PHE 26 11.646 0.350 -1.275
171 HA PHE 26 HA PHE 26 11.781 -0.792 -3.846
172 HB2 PHE 26 HB2 PHE 26 12.400 -3.142 -2.660
173 HB3 PHE 26 HB1 PHE 26 13.582 -2.088 -3.419
174 HD1 PHE 26 HD1 PHE 26 11.951 -1.224 -0.250
175 HD2 PHE 26 HD2 PHE 26 15.437 -2.832 -2.082
176 HE1 PHE 26 HE1 PHE 26 13.169 -0.917 1.843
177 HE2 PHE 26 HE2 PHE 26 16.665 -2.555 0.029
178 HZ PHE 26 HZ PHE 26 15.537 -1.597 1.999
179 H ARG 27 HN ARG 27 10.478 -0.521 -0.746
180 HA ARG 27 HA ARG 27 8.705 -2.695 -0.722
181 HB2 ARG 27 HB2 ARG 27 8.719 -0.067 0.726
182 HB3 ARG 27 HB1 ARG 27 7.475 -1.286 0.994
183 HG2 ARG 27 HG2 ARG 27 9.132 -2.863 1.705
184 HG3 ARG 27 HG1 ARG 27 10.417 -1.734 1.314
185 HD2 ARG 27 HD2 ARG 27 8.265 -1.156 3.326
186 HD3 ARG 27 HD1 ARG 27 9.804 -1.898 3.753
187 HE ARG 27 HE ARG 27 10.378 0.433 2.346
188 HH11 ARG 27 HH11 ARG 27 8.793 -0.493 5.316
189 HH12 ARG 27 HH12 ARG 27 9.256 0.940 6.173
190 HH21 ARG 27 HH21 ARG 27 10.993 2.352 3.481
191 HH22 ARG 27 HH22 ARG 27 10.497 2.567 5.127
192 H SER 28 HN SER 28 6.374 -2.573 -0.771
193 HA SER 28 HA SER 28 5.478 -0.977 -3.057
194 HB2 SER 28 HB2 SER 28 4.573 -3.574 -1.823
195 HB3 SER 28 HB1 SER 28 3.520 -2.679 -2.918
196 HG SER 28 HG SER 28 6.137 -3.076 -3.765
197 H CYS 29 HN CYS 29 3.773 0.429 -2.860
198 HA CYS 29 HA CYS 29 2.975 1.063 -0.134
199 HB2 CYS 29 HB2 CYS 29 3.362 2.585 -2.559
200 HB3 CYS 29 HB1 CYS 29 1.771 2.894 -1.880
201 H CYS 30 HN CYS 30 1.088 0.502 0.670
202 HA CYS 30 HA CYS 30 -0.993 -0.415 -1.191
203 HB2 CYS 30 HB2 CYS 30 -0.660 -1.441 1.608
204 HB3 CYS 30 HB1 CYS 30 -1.455 -2.198 0.232
205 H ALA 31 HN ALA 31 -3.037 0.019 -0.747
206 HA ALA 31 HA ALA 31 -3.699 1.771 1.488
207 HB1 ALA 31 HB1 ALA 31 -3.565 3.429 -0.075
208 HB2 ALA 31 HB2 ALA 31 -5.230 2.905 -0.336
209 HB3 ALA 31 HB3 ALA 31 -3.953 2.349 -1.408
210 H TRP 32 HN TRP 32 -6.257 1.927 1.478
211 HA TRP 32 HA TRP 32 -7.083 -0.819 1.424
212 HB2 TRP 32 HB2 TRP 32 -7.917 1.649 2.772
213 HB3 TRP 32 HB1 TRP 32 -9.190 0.461 2.483
214 HD1 TRP 32 HD1 TRP 32 -6.157 1.142 4.655
215 HE1 TRP 32 HE1 TRP 32 -5.945 -0.769 6.390
216 HE3 TRP 32 HE3 TRP 32 -9.598 -1.990 2.718
217 HZ2 TRP 32 HZ2 TRP 32 -7.121 -3.323 6.835
218 HZ3 TRP 32 HZ3 TRP 32 -10.030 -4.171 3.820
219 HH2 TRP 32 HH2 TRP 32 -8.808 -4.816 5.840
220 HA PRO 33 HA PRO 33 -9.215 -0.875 -2.418
221 HB2 PRO 33 HB2 PRO 33 -11.150 -2.694 -1.725
222 HB3 PRO 33 HB1 PRO 33 -9.480 -3.114 -2.130
223 HG2 PRO 33 HG2 PRO 33 -10.683 -2.605 0.588
224 HG3 PRO 33 HG1 PRO 33 -9.710 -4.000 0.052
225 HD2 PRO 33 HD2 PRO 33 -8.518 -2.100 1.376
226 HD3 PRO 33 HD1 PRO 33 -7.759 -2.664 -0.118
227 H TRP 34 HN TRP 34 -10.945 0.247 0.403
228 HA TRP 34 HA TRP 34 -13.527 0.391 -0.052
229 HB2 TRP 34 HB2 TRP 34 -13.100 3.128 0.212
230 HB3 TRP 34 HB1 TRP 34 -13.323 1.966 1.515
231 HD1 TRP 34 HD1 TRP 34 -11.517 2.016 3.245
232 HE1 TRP 34 HE1 TRP 34 -9.063 2.654 3.322
233 HE3 TRP 34 HE3 TRP 34 -10.803 3.346 -1.640
234 HZ2 TRP 34 HZ2 TRP 34 -7.047 3.526 1.590
235 HZ3 TRP 34 HZ3 TRP 34 -8.571 4.042 -2.361
236 HH2 TRP 34 HH2 TRP 34 -6.732 4.151 -0.782
237 H ASN 35 HN ASN 35 -11.256 2.041 -2.116
238 HA ASN 35 HA ASN 35 -13.190 2.200 -4.252
239 HB2 ASN 35 HB2 ASN 35 -13.208 4.590 -4.443
240 HB3 ASN 35 HB1 ASN 35 -13.582 4.190 -2.772
241 HD21 ASN 35 HD21 ASN 35 -12.380 5.025 -1.184
242 HD22 ASN 35 HD22 ASN 35 -10.925 5.928 -1.417
243 H ALA 36 HN ALA 36 -10.638 1.000 -3.626
244 HA ALA 36 HA ALA 36 -9.129 1.990 -5.926
245 HB1 ALA 36 HB1 ALA 36 -7.041 1.422 -4.443
246 HB2 ALA 36 HB2 ALA 36 -8.154 1.767 -3.118
247 HB3 ALA 36 HB3 ALA 36 -7.820 3.000 -4.334
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