Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640894 | 6nom RC | 30561 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 12.211 7.557 6.180
2 H2 LYS 1 HT2 LYS 1 13.660 6.690 6.160
3 H3 LYS 1 HT3 LYS 1 12.550 6.448 7.412
4 HA LYS 1 HA LYS 1 12.494 4.637 5.829
5 HB2 LYS 1 HB2 LYS 1 10.068 4.674 5.380
6 HB3 LYS 1 HB1 LYS 1 10.442 5.182 7.019
7 HG2 LYS 1 HG2 LYS 1 10.263 7.550 6.216
8 HG3 LYS 1 HG1 LYS 1 9.637 6.907 4.698
9 HD2 LYS 1 HD2 LYS 1 7.796 5.843 5.888
10 HD3 LYS 1 HD1 LYS 1 8.434 6.428 7.427
11 HE2 LYS 1 HE2 LYS 1 6.715 7.929 6.866
12 HE3 LYS 1 HE1 LYS 1 8.208 8.766 6.448
13 HZ1 LYS 1 HZ1 LYS 1 6.323 7.419 4.603
14 HZ2 LYS 1 HZ2 LYS 1 7.853 7.974 4.130
15 HZ3 LYS 1 HZ3 LYS 1 6.688 9.071 4.677
16 H THR 2 HN THR 2 11.076 4.235 3.648
17 HA THR 2 HA THR 2 12.379 5.928 1.645
18 HB THR 2 HB THR 2 12.007 4.145 0.035
19 HG1 THR 2 HG1 THR 2 10.151 3.193 0.828
20 HG21 THR 2 HG21 THR 2 13.492 2.437 1.048
21 HG22 THR 2 HG22 THR 2 13.296 3.239 2.606
22 HG23 THR 2 HG23 THR 2 14.077 4.085 1.269
23 H CYS 3 HN CYS 3 10.969 5.746 -0.510
24 HA CYS 3 HA CYS 3 8.976 7.633 -0.280
25 HB2 CYS 3 HB2 CYS 3 9.053 5.502 -2.421
26 HB3 CYS 3 HB1 CYS 3 8.389 7.128 -2.552
27 H GLU 4 HN GLU 4 7.105 7.522 0.733
28 HA GLU 4 HA GLU 4 5.560 5.039 0.578
29 HB2 GLU 4 HB2 GLU 4 6.601 4.960 2.732
30 HB3 GLU 4 HB1 GLU 4 6.195 6.642 3.050
31 HG2 GLU 4 HG2 GLU 4 3.746 5.892 2.862
32 HG3 GLU 4 HG1 GLU 4 4.379 4.247 3.031
33 H ASN 5 HN ASN 5 3.506 5.335 0.112
34 HA ASN 5 HA ASN 5 2.279 7.905 0.796
35 HB2 ASN 5 HB2 ASN 5 1.130 8.080 -1.257
36 HB3 ASN 5 HB1 ASN 5 2.769 7.653 -1.706
37 HD21 ASN 5 HD21 ASN 5 -0.514 6.572 -1.467
38 HD22 ASN 5 HD22 ASN 5 -0.336 5.162 -2.457
39 H LEU 6 HN LEU 6 -0.013 7.740 1.078
40 HA LEU 6 HA LEU 6 -0.728 5.160 2.199
41 HB2 LEU 6 HB2 LEU 6 -1.147 7.637 3.151
42 HB3 LEU 6 HB1 LEU 6 -2.645 7.413 2.267
43 HG LEU 6 HG LEU 6 -1.607 5.675 4.533
44 HD11 LEU 6 HD11 LEU 6 -3.995 7.508 4.264
45 HD12 LEU 6 HD12 LEU 6 -2.566 7.782 5.262
46 HD13 LEU 6 HD13 LEU 6 -3.663 6.454 5.637
47 HD21 LEU 6 HD21 LEU 6 -3.812 4.560 4.294
48 HD22 LEU 6 HD22 LEU 6 -2.655 4.224 3.009
49 HD23 LEU 6 HD23 LEU 6 -3.988 5.360 2.729
50 H SER 7 HN SER 7 -1.791 3.745 1.043
51 HA SER 7 HA SER 7 -3.070 4.525 -1.423
52 HB2 SER 7 HB2 SER 7 -3.350 2.076 -1.730
53 HB3 SER 7 HB1 SER 7 -1.673 2.530 -1.449
54 HG SER 7 HG SER 7 -1.931 1.865 0.723
55 H GLY 8 HN GLY 8 -5.127 4.998 -1.534
56 HA2 GLY 8 HA2 GLY 8 -7.300 3.667 -0.721
57 HA3 GLY 8 HA1 GLY 8 -6.858 4.535 0.742
58 H THR 9 HN THR 9 -8.116 6.199 0.979
59 HA THR 9 HA THR 9 -9.565 7.472 -1.042
60 HB THR 9 HB THR 9 -10.353 7.591 1.206
61 HG1 THR 9 HG1 THR 9 -11.007 9.432 0.239
62 HG21 THR 9 HG21 THR 9 -7.793 9.045 1.901
63 HG22 THR 9 HG22 THR 9 -8.242 7.417 2.408
64 HG23 THR 9 HG23 THR 9 -9.160 8.805 2.990
65 H PHE 10 HN PHE 10 -6.679 8.583 0.705
66 HA PHE 10 HA PHE 10 -6.390 10.820 -1.113
67 HB2 PHE 10 HB2 PHE 10 -6.225 11.007 1.415
68 HB3 PHE 10 HB1 PHE 10 -4.712 10.122 1.297
69 HD1 PHE 10 HD1 PHE 10 -6.247 12.981 -0.552
70 HD2 PHE 10 HD2 PHE 10 -2.898 11.455 1.580
71 HE1 PHE 10 HE1 PHE 10 -5.058 15.105 -0.915
72 HE2 PHE 10 HE2 PHE 10 -1.707 13.573 1.218
73 HZ PHE 10 HZ PHE 10 -2.782 15.400 -0.027
74 H LYS 11 HN LYS 11 -4.618 11.128 -2.406
75 HA LYS 11 HA LYS 11 -2.827 10.690 -3.694
76 HB2 LYS 11 HB2 LYS 11 -0.783 10.190 -2.455
77 HB3 LYS 11 HB1 LYS 11 -1.787 11.362 -1.619
78 HG2 LYS 11 HG2 LYS 11 -2.652 9.277 -0.319
79 HG3 LYS 11 HG1 LYS 11 -1.149 8.552 -0.888
80 HD2 LYS 11 HD2 LYS 11 -1.309 11.165 0.599
81 HD3 LYS 11 HD1 LYS 11 -1.008 9.611 1.370
82 HE2 LYS 11 HE2 LYS 11 1.053 9.357 0.185
83 HE3 LYS 11 HE1 LYS 11 0.697 10.736 -0.849
84 HZ1 LYS 11 HZ1 LYS 11 0.948 12.204 0.994
85 HZ2 LYS 11 HZ2 LYS 11 2.310 11.204 0.949
86 HZ3 LYS 11 HZ3 LYS 11 1.092 10.923 2.086
87 H GLY 12 HN GLY 12 -4.678 8.640 -4.078
88 HA2 GLY 12 HA2 GLY 12 -4.291 7.002 -5.771
89 HA3 GLY 12 HA1 GLY 12 -2.746 6.643 -5.025
90 HA PRO 13 HA PRO 13 -6.152 3.918 -3.111
91 HB2 PRO 13 HB2 PRO 13 -7.681 2.775 -4.969
92 HB3 PRO 13 HB1 PRO 13 -8.023 4.406 -4.390
93 HG2 PRO 13 HG2 PRO 13 -6.779 3.521 -6.945
94 HG3 PRO 13 HG1 PRO 13 -7.842 4.903 -6.632
95 HD2 PRO 13 HD2 PRO 13 -5.036 4.957 -6.844
96 HD3 PRO 13 HD1 PRO 13 -6.076 6.261 -6.242
97 H CYS 14 HN CYS 14 -6.776 1.424 -3.776
98 HA CYS 14 HA CYS 14 -4.786 0.081 -5.326
99 HB2 CYS 14 HB2 CYS 14 -3.484 0.526 -3.314
100 HB3 CYS 14 HB1 CYS 14 -4.723 -0.233 -2.323
101 H ILE 15 HN ILE 15 -6.461 -1.153 -2.414
102 HA ILE 15 HA ILE 15 -8.196 -2.780 -4.134
103 HB ILE 15 HB ILE 15 -7.644 -4.811 -2.819
104 HG12 ILE 15 HG12 ILE 15 -5.507 -2.989 -1.706
105 HG13 ILE 15 HG11 ILE 15 -6.753 -3.858 -0.821
106 HG21 ILE 15 HG21 ILE 15 -5.348 -3.572 -4.333
107 HG22 ILE 15 HG22 ILE 15 -6.678 -4.506 -5.019
108 HG23 ILE 15 HG23 ILE 15 -5.513 -5.286 -3.949
109 HD11 ILE 15 HD11 ILE 15 -5.690 -5.964 -1.327
110 HD12 ILE 15 HD12 ILE 15 -4.547 -4.865 -0.556
111 HD13 ILE 15 HD13 ILE 15 -4.471 -5.138 -2.297
112 HA PRO 16 HA PRO 16 -10.969 -1.837 -0.834
113 HB2 PRO 16 HB2 PRO 16 -13.163 -3.007 -1.780
114 HB3 PRO 16 HB1 PRO 16 -12.403 -1.664 -2.641
115 HG2 PRO 16 HG2 PRO 16 -12.346 -4.579 -3.249
116 HG3 PRO 16 HG1 PRO 16 -12.355 -3.198 -4.357
117 HD2 PRO 16 HD2 PRO 16 -10.099 -4.684 -3.538
118 HD3 PRO 16 HD1 PRO 16 -10.091 -3.145 -4.417
119 H ASP 17 HN ASP 17 -9.497 -4.730 -0.887
120 HA ASP 17 HA ASP 17 -11.469 -6.238 0.627
121 HB2 ASP 17 HB2 ASP 17 -8.682 -6.959 -0.276
122 HB3 ASP 17 HB1 ASP 17 -9.753 -8.045 0.600
123 H GLY 18 HN GLY 18 -8.690 -4.280 1.269
124 HA2 GLY 18 HA2 GLY 18 -8.269 -3.356 3.395
125 HA3 GLY 18 HA1 GLY 18 -9.194 -4.658 4.119
126 H ASN 19 HN ASN 19 -7.354 -6.314 2.141
127 HA ASN 19 HA ASN 19 -5.369 -6.926 4.135
128 HB2 ASN 19 HB2 ASN 19 -4.661 -8.563 2.202
129 HB3 ASN 19 HB1 ASN 19 -6.108 -8.877 3.144
130 HD21 ASN 19 HD21 ASN 19 -5.870 -6.386 0.693
131 HD22 ASN 19 HD22 ASN 19 -6.981 -7.110 -0.417
132 H CYS 20 HN CYS 20 -4.410 -4.759 4.012
133 HA CYS 20 HA CYS 20 -3.318 -3.828 1.617
134 HB2 CYS 20 HB2 CYS 20 -2.407 -2.021 2.944
135 HB3 CYS 20 HB1 CYS 20 -4.081 -2.320 3.341
136 H ASN 21 HN ASN 21 -1.650 -4.914 4.575
137 HA ASN 21 HA ASN 21 0.884 -4.504 3.501
138 HB2 ASN 21 HB2 ASN 21 1.604 -6.192 5.339
139 HB3 ASN 21 HB1 ASN 21 0.921 -4.640 5.801
140 HD21 ASN 21 HD21 ASN 21 -1.228 -4.554 6.505
141 HD22 ASN 21 HD22 ASN 21 -1.985 -5.949 7.209
142 H LYS 22 HN LYS 22 -1.020 -7.523 3.611
143 HA LYS 22 HA LYS 22 1.013 -9.109 2.505
144 HB2 LYS 22 HB2 LYS 22 -0.604 -10.772 2.084
145 HB3 LYS 22 HB1 LYS 22 -1.113 -9.955 3.549
146 HG2 LYS 22 HG2 LYS 22 -2.753 -8.681 2.269
147 HG3 LYS 22 HG1 LYS 22 -2.222 -9.480 0.798
148 HD2 LYS 22 HD2 LYS 22 -4.199 -10.571 1.517
149 HD3 LYS 22 HD1 LYS 22 -2.853 -11.658 1.840
150 HE2 LYS 22 HE2 LYS 22 -3.907 -9.825 3.966
151 HE3 LYS 22 HE1 LYS 22 -4.695 -11.361 3.630
152 HZ1 LYS 22 HZ1 LYS 22 -1.885 -10.973 4.502
153 HZ2 LYS 22 HZ2 LYS 22 -2.548 -12.459 4.054
154 HZ3 LYS 22 HZ3 LYS 22 -3.145 -11.640 5.406
155 H HIS 23 HN HIS 23 -1.185 -6.843 0.986
156 HA HIS 23 HA HIS 23 -0.964 -7.946 -1.619
157 HB2 HIS 23 HB2 HIS 23 -2.732 -6.300 -0.863
158 HB3 HIS 23 HB1 HIS 23 -1.505 -5.047 -1.004
159 HD1 HIS 23 HD1 HIS 23 -1.060 -4.122 -3.329
160 HD2 HIS 23 HD2 HIS 23 -3.435 -7.535 -3.362
161 HE1 HIS 23 HE1 HIS 23 -1.879 -4.352 -5.691
162 HE2 HIS 23 HE2 HIS 23 -3.207 -6.494 -5.715
163 H CYS 24 HN CYS 24 0.504 -4.906 -0.355
164 HA CYS 24 HA CYS 24 2.217 -4.639 -2.590
165 HB2 CYS 24 HB2 CYS 24 2.257 -3.414 0.151
166 HB3 CYS 24 HB1 CYS 24 3.614 -3.195 -0.933
167 H ARG 25 HN ARG 25 2.492 -6.581 0.274
168 HA ARG 25 HA ARG 25 5.375 -6.802 0.021
169 HB2 ARG 25 HB2 ARG 25 3.520 -8.224 1.920
170 HB3 ARG 25 HB1 ARG 25 5.271 -8.189 2.005
171 HG2 ARG 25 HG2 ARG 25 3.482 -5.804 2.231
172 HG3 ARG 25 HG1 ARG 25 4.232 -6.652 3.588
173 HD2 ARG 25 HD2 ARG 25 5.903 -5.647 1.346
174 HD3 ARG 25 HD1 ARG 25 5.366 -4.519 2.583
175 HE ARG 25 HE ARG 25 7.457 -6.427 2.787
176 HH11 ARG 25 HH11 ARG 25 4.873 -5.049 4.724
177 HH12 ARG 25 HH12 ARG 25 5.712 -5.272 6.221
178 HH21 ARG 25 HH21 ARG 25 8.561 -6.689 4.751
179 HH22 ARG 25 HH22 ARG 25 7.816 -6.191 6.237
180 H ASN 26 HN ASN 26 2.550 -8.678 -0.834
181 HA ASN 26 HA ASN 26 4.149 -11.084 -1.173
182 HB2 ASN 26 HB2 ASN 26 1.244 -10.481 -1.667
183 HB3 ASN 26 HB1 ASN 26 1.979 -11.968 -2.239
184 HD21 ASN 26 HD21 ASN 26 2.918 -10.425 0.732
185 HD22 ASN 26 HD22 ASN 26 2.250 -11.609 1.800
186 H ASN 27 HN ASN 27 2.467 -8.794 -3.300
187 HA ASN 27 HA ASN 27 3.431 -10.241 -5.616
188 HB2 ASN 27 HB2 ASN 27 1.903 -9.065 -6.880
189 HB3 ASN 27 HB1 ASN 27 1.111 -9.078 -5.316
190 HD21 ASN 27 HD21 ASN 27 1.237 -7.129 -4.005
191 HD22 ASN 27 HD22 ASN 27 1.401 -5.597 -4.815
192 H GLU 28 HN GLU 28 4.110 -7.212 -3.965
193 HA GLU 28 HA GLU 28 6.086 -6.566 -6.055
194 HB2 GLU 28 HB2 GLU 28 4.087 -5.013 -5.519
195 HB3 GLU 28 HB1 GLU 28 4.969 -4.616 -4.054
196 HG2 GLU 28 HG2 GLU 28 5.418 -2.944 -5.670
197 HG3 GLU 28 HG1 GLU 28 6.879 -3.907 -5.461
198 H HIS 29 HN HIS 29 5.604 -7.285 -2.740
199 HA HIS 29 HA HIS 29 6.930 -7.511 -0.941
200 HB2 HIS 29 HB2 HIS 29 8.164 -8.961 -2.640
201 HB3 HIS 29 HB1 HIS 29 9.285 -7.617 -2.825
202 HD1 HIS 29 HD1 HIS 29 10.450 -6.844 -0.463
203 HD2 HIS 29 HD2 HIS 29 8.803 -10.655 -0.618
204 HE1 HIS 29 HE1 HIS 29 11.430 -8.085 1.488
205 HE2 HIS 29 HE2 HIS 29 10.563 -10.437 1.263
206 H LEU 30 HN LEU 30 6.239 -5.072 -0.928
207 HA LEU 30 HA LEU 30 8.468 -3.254 -1.164
208 HB2 LEU 30 HB2 LEU 30 5.756 -2.734 0.038
209 HB3 LEU 30 HB1 LEU 30 6.956 -1.534 -0.397
210 HG LEU 30 HG LEU 30 5.259 -3.214 -2.224
211 HD11 LEU 30 HD11 LEU 30 5.647 -0.264 -1.806
212 HD12 LEU 30 HD12 LEU 30 4.194 -1.220 -1.516
213 HD13 LEU 30 HD13 LEU 30 4.758 -0.952 -3.164
214 HD21 LEU 30 HD21 LEU 30 7.474 -3.330 -3.149
215 HD22 LEU 30 HD22 LEU 30 7.695 -1.595 -2.940
216 HD23 LEU 30 HD23 LEU 30 6.513 -2.197 -4.099
217 H LEU 31 HN LEU 31 8.142 -1.557 0.988
218 HA LEU 31 HA LEU 31 9.471 -3.149 3.034
219 HB2 LEU 31 HB2 LEU 31 9.120 -0.167 3.009
220 HB3 LEU 31 HB1 LEU 31 10.327 -1.104 3.870
221 HG LEU 31 HG LEU 31 10.150 -0.590 0.920
222 HD11 LEU 31 HD11 LEU 31 12.412 0.316 1.256
223 HD12 LEU 31 HD12 LEU 31 12.266 -0.004 2.984
224 HD13 LEU 31 HD13 LEU 31 11.198 1.168 2.211
225 HD21 LEU 31 HD21 LEU 31 10.707 -2.906 1.149
226 HD22 LEU 31 HD22 LEU 31 11.933 -2.538 2.367
227 HD23 LEU 31 HD23 LEU 31 12.160 -2.011 0.698
228 H SER 32 HN SER 32 6.845 -0.711 2.928
229 HA SER 32 HA SER 32 5.927 -1.735 5.537
230 HB2 SER 32 HB2 SER 32 5.287 0.694 3.893
231 HB3 SER 32 HB1 SER 32 4.240 0.187 5.204
232 HG SER 32 HG SER 32 6.382 1.658 5.385
233 H GLY 33 HN GLY 33 4.930 -1.311 2.268
234 HA2 GLY 33 HA2 GLY 33 3.631 -2.556 0.910
235 HA3 GLY 33 HA1 GLY 33 3.751 -3.832 2.095
236 H ARG 34 HN ARG 34 2.283 -0.812 3.014
237 HA ARG 34 HA ARG 34 -0.137 -2.192 3.732
238 HB2 ARG 34 HB2 ARG 34 1.290 0.263 4.256
239 HB3 ARG 34 HB1 ARG 34 -0.420 0.591 4.105
240 HG2 ARG 34 HG2 ARG 34 -0.835 -1.065 5.894
241 HG3 ARG 34 HG1 ARG 34 0.906 -1.330 6.021
242 HD2 ARG 34 HD2 ARG 34 1.267 0.961 6.659
243 HD3 ARG 34 HD1 ARG 34 -0.435 1.369 6.373
244 HE ARG 34 HE ARG 34 -0.702 -0.496 8.229
245 HH11 ARG 34 HH11 ARG 34 1.671 2.085 8.086
246 HH12 ARG 34 HH12 ARG 34 1.775 2.253 9.808
247 HH21 ARG 34 HH21 ARG 34 -0.557 -0.276 10.494
248 HH22 ARG 34 HH22 ARG 34 0.497 0.922 11.175
249 H CYS 35 HN CYS 35 -0.970 -2.774 1.497
250 HA CYS 35 HA CYS 35 -1.876 -0.499 -0.098
251 HB2 CYS 35 HB2 CYS 35 -0.621 -2.747 -0.864
252 HB3 CYS 35 HB1 CYS 35 -2.294 -3.204 -1.155
253 H ARG 36 HN ARG 36 -3.979 0.314 0.417
254 HA ARG 36 HA ARG 36 -6.012 -1.595 -0.453
255 HB2 ARG 36 HB2 ARG 36 -7.356 -0.015 1.455
256 HB3 ARG 36 HB1 ARG 36 -7.175 -1.750 1.435
257 HG2 ARG 36 HG2 ARG 36 -4.791 -0.913 2.449
258 HG3 ARG 36 HG1 ARG 36 -5.910 0.269 3.108
259 HD2 ARG 36 HD2 ARG 36 -7.350 -1.666 3.843
260 HD3 ARG 36 HD1 ARG 36 -6.031 -2.735 3.399
261 HE ARG 36 HE ARG 36 -4.740 -1.240 5.073
262 HH11 ARG 36 HH11 ARG 36 -8.083 -2.249 5.412
263 HH12 ARG 36 HH12 ARG 36 -8.043 -2.213 7.138
264 HH21 ARG 36 HH21 ARG 36 -4.700 -1.211 7.351
265 HH22 ARG 36 HH22 ARG 36 -6.131 -1.625 8.239
266 H ASP 37 HN ASP 37 -8.238 -0.361 -0.580
267 HA ASP 37 HA ASP 37 -7.822 2.256 -1.879
268 HB2 ASP 37 HB2 ASP 37 -8.249 0.865 -3.714
269 HB3 ASP 37 HB1 ASP 37 -9.369 -0.143 -2.811
270 H ASP 38 HN ASP 38 -10.661 0.263 -1.100
271 HA ASP 38 HA ASP 38 -12.251 2.308 -0.048
272 HB2 ASP 38 HB2 ASP 38 -13.235 0.196 -0.678
273 HB3 ASP 38 HB1 ASP 38 -12.229 -0.676 0.472
274 H PHE 39 HN PHE 39 -9.809 0.287 1.327
275 HA PHE 39 HA PHE 39 -10.050 1.583 3.941
276 HB2 PHE 39 HB2 PHE 39 -8.619 -0.868 2.948
277 HB3 PHE 39 HB1 PHE 39 -8.452 -0.262 4.591
278 HD1 PHE 39 HD1 PHE 39 -10.794 0.107 5.810
279 HD2 PHE 39 HD2 PHE 39 -10.130 -2.520 2.514
280 HE1 PHE 39 HE1 PHE 39 -12.795 -1.177 6.438
281 HE2 PHE 39 HE2 PHE 39 -12.139 -3.801 3.145
282 HZ PHE 39 HZ PHE 39 -13.468 -3.132 5.106
283 H ARG 40 HN ARG 40 -7.831 2.167 4.946
284 HA ARG 40 HA ARG 40 -6.074 3.144 2.789
285 HB2 ARG 40 HB2 ARG 40 -5.623 5.132 4.265
286 HB3 ARG 40 HB1 ARG 40 -7.259 5.037 3.636
287 HG2 ARG 40 HG2 ARG 40 -7.952 4.027 5.819
288 HG3 ARG 40 HG1 ARG 40 -6.333 4.384 6.424
289 HD2 ARG 40 HD2 ARG 40 -8.232 6.439 5.299
290 HD3 ARG 40 HD1 ARG 40 -8.043 6.096 7.017
291 HE ARG 40 HE ARG 40 -5.550 6.687 6.418
292 HH11 ARG 40 HH11 ARG 40 -8.482 8.274 5.360
293 HH12 ARG 40 HH12 ARG 40 -7.735 9.833 5.202
294 HH21 ARG 40 HH21 ARG 40 -4.568 8.746 6.236
295 HH22 ARG 40 HH22 ARG 40 -5.507 10.099 5.695
296 H CYS 41 HN CYS 41 -4.168 2.270 2.834
297 HA CYS 41 HA CYS 41 -2.755 1.919 5.381
298 HB2 CYS 41 HB2 CYS 41 -3.617 -0.121 3.540
299 HB3 CYS 41 HB1 CYS 41 -1.882 -0.165 3.704
300 H TRP 42 HN TRP 42 -0.450 2.407 5.257
301 HA TRP 42 HA TRP 42 0.424 3.915 2.922
302 HB2 TRP 42 HB2 TRP 42 1.876 3.320 5.502
303 HB3 TRP 42 HB1 TRP 42 2.385 4.472 4.283
304 HD1 TRP 42 HD1 TRP 42 -0.133 4.031 7.128
305 HE1 TRP 42 HE1 TRP 42 -1.048 6.355 7.771
306 HE3 TRP 42 HE3 TRP 42 1.921 6.788 3.349
307 HZ2 TRP 42 HZ2 TRP 42 -0.917 9.002 6.788
308 HZ3 TRP 42 HZ3 TRP 42 1.473 9.192 3.268
309 HH2 TRP 42 HH2 TRP 42 0.089 10.283 4.952
310 H CYS 43 HN CYS 43 1.273 2.620 1.165
311 HA CYS 43 HA CYS 43 3.126 0.476 1.881
312 HB2 CYS 43 HB2 CYS 43 2.268 1.449 -0.849
313 HB3 CYS 43 HB1 CYS 43 3.498 0.231 -0.609
314 H THR 44 HN THR 44 5.271 0.582 1.836
315 HA THR 44 HA THR 44 6.548 3.118 1.055
316 HB THR 44 HB THR 44 7.564 1.264 3.213
317 HG1 THR 44 HG1 THR 44 5.808 3.481 3.397
318 HG21 THR 44 HG21 THR 44 8.293 4.028 2.289
319 HG22 THR 44 HG22 THR 44 9.325 2.607 2.471
320 HG23 THR 44 HG23 THR 44 8.714 3.442 3.900
321 H ASN 45 HN ASN 45 8.149 2.963 -0.390
322 HA ASN 45 HA ASN 45 9.946 0.717 -0.504
323 HB2 ASN 45 HB2 ASN 45 7.935 -0.028 -1.855
324 HB3 ASN 45 HB1 ASN 45 8.280 1.289 -2.967
325 HD21 ASN 45 HD21 ASN 45 9.415 -1.758 -1.696
326 HD22 ASN 45 HD22 ASN 45 10.514 -2.112 -2.980
327 H ARG 46 HN ARG 46 11.328 1.163 -2.719
328 HA ARG 46 HA ARG 46 12.205 3.926 -2.333
329 HB2 ARG 46 HB2 ARG 46 13.654 1.759 -3.856
330 HB3 ARG 46 HB1 ARG 46 14.315 3.260 -3.233
331 HG2 ARG 46 HG2 ARG 46 15.125 1.767 -1.699
332 HG3 ARG 46 HG1 ARG 46 13.621 2.256 -0.918
333 HD2 ARG 46 HD2 ARG 46 12.506 0.277 -1.701
334 HD3 ARG 46 HD1 ARG 46 13.911 -0.190 -2.652
335 HE ARG 46 HE ARG 46 14.344 0.085 0.208
336 HH11 ARG 46 HH11 ARG 46 13.663 -2.066 -2.477
337 HH12 ARG 46 HH12 ARG 46 14.148 -3.491 -1.619
338 HH21 ARG 46 HH21 ARG 46 14.977 -1.796 1.337
339 HH22 ARG 46 HH22 ARG 46 14.891 -3.342 0.553
340 H CYS 47 HN CYS 47 11.584 5.394 -3.792
341 HA CYS 47 HA CYS 47 10.476 4.419 -6.305
342 HB2 CYS 47 HB2 CYS 47 9.421 6.637 -6.487
343 HB3 CYS 47 HB1 CYS 47 9.009 5.837 -4.978
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 13.881 7.054 5.264
2 H2 LYS 1 HT2 LYS 1 12.844 6.917 6.589
3 H3 LYS 1 HT3 LYS 1 12.489 8.005 5.345
4 HA LYS 1 HA LYS 1 12.543 5.059 5.123
5 HB2 LYS 1 HB2 LYS 1 10.133 5.229 4.787
6 HB3 LYS 1 HB1 LYS 1 10.579 5.935 6.335
7 HG2 LYS 1 HG2 LYS 1 10.365 8.150 5.456
8 HG3 LYS 1 HG1 LYS 1 10.119 7.528 3.827
9 HD2 LYS 1 HD2 LYS 1 7.994 8.190 4.754
10 HD3 LYS 1 HD1 LYS 1 8.036 6.433 4.607
11 HE2 LYS 1 HE2 LYS 1 8.524 6.226 6.976
12 HE3 LYS 1 HE1 LYS 1 8.582 7.980 7.138
13 HZ1 LYS 1 HZ1 LYS 1 6.466 7.103 7.877
14 HZ2 LYS 1 HZ2 LYS 1 6.194 6.385 6.369
15 HZ3 LYS 1 HZ3 LYS 1 6.250 8.072 6.507
16 H THR 2 HN THR 2 11.140 4.556 3.055
17 HA THR 2 HA THR 2 12.287 6.088 0.834
18 HB THR 2 HB THR 2 11.735 4.168 -0.576
19 HG1 THR 2 HG1 THR 2 10.191 2.985 0.226
20 HG21 THR 2 HG21 THR 2 13.941 4.275 0.488
21 HG22 THR 2 HG22 THR 2 13.392 2.608 0.316
22 HG23 THR 2 HG23 THR 2 13.308 3.406 1.886
23 H CYS 3 HN CYS 3 10.582 5.678 -1.182
24 HA CYS 3 HA CYS 3 8.694 7.693 -0.649
25 HB2 CYS 3 HB2 CYS 3 7.775 7.228 -2.881
26 HB3 CYS 3 HB1 CYS 3 9.531 7.322 -2.911
27 H GLU 4 HN GLU 4 6.926 7.576 0.502
28 HA GLU 4 HA GLU 4 5.433 5.045 0.602
29 HB2 GLU 4 HB2 GLU 4 6.767 5.245 2.640
30 HB3 GLU 4 HB1 GLU 4 6.149 6.862 2.910
31 HG2 GLU 4 HG2 GLU 4 3.855 5.838 3.097
32 HG3 GLU 4 HG1 GLU 4 4.651 4.258 3.113
33 H ASN 5 HN ASN 5 3.238 5.242 0.628
34 HA ASN 5 HA ASN 5 2.107 7.808 1.348
35 HB2 ASN 5 HB2 ASN 5 0.825 8.159 -0.594
36 HB3 ASN 5 HB1 ASN 5 2.444 7.816 -1.165
37 HD21 ASN 5 HD21 ASN 5 -0.796 6.622 -0.828
38 HD22 ASN 5 HD22 ASN 5 -0.668 5.356 -2.009
39 H LEU 6 HN LEU 6 -0.037 7.735 1.868
40 HA LEU 6 HA LEU 6 -1.031 5.133 2.690
41 HB2 LEU 6 HB2 LEU 6 -1.174 7.658 3.782
42 HB3 LEU 6 HB1 LEU 6 -2.755 7.485 3.049
43 HG LEU 6 HG LEU 6 -1.526 5.709 5.182
44 HD11 LEU 6 HD11 LEU 6 -2.438 7.821 5.995
45 HD12 LEU 6 HD12 LEU 6 -3.461 6.472 6.487
46 HD13 LEU 6 HD13 LEU 6 -3.955 7.514 5.153
47 HD21 LEU 6 HD21 LEU 6 -2.673 4.168 3.948
48 HD22 LEU 6 HD22 LEU 6 -3.902 5.334 3.428
49 HD23 LEU 6 HD23 LEU 6 -3.910 4.726 5.084
50 H SER 7 HN SER 7 -2.466 4.028 1.476
51 HA SER 7 HA SER 7 -3.240 5.263 -1.045
52 HB2 SER 7 HB2 SER 7 -3.352 2.354 -0.242
53 HB3 SER 7 HB1 SER 7 -3.433 3.021 -1.869
54 HG SER 7 HG SER 7 -1.208 3.721 -0.382
55 H GLY 8 HN GLY 8 -5.311 5.124 -1.889
56 HA2 GLY 8 HA2 GLY 8 -7.565 4.083 -1.657
57 HA3 GLY 8 HA1 GLY 8 -7.454 4.497 0.053
58 H THR 9 HN THR 9 -8.685 6.203 0.526
59 HA THR 9 HA THR 9 -9.418 8.197 -1.355
60 HB THR 9 HB THR 9 -10.673 7.694 0.779
61 HG1 THR 9 HG1 THR 9 -11.463 9.553 0.163
62 HG21 THR 9 HG21 THR 9 -8.405 9.259 2.022
63 HG22 THR 9 HG22 THR 9 -8.819 7.575 2.339
64 HG23 THR 9 HG23 THR 9 -9.921 8.860 2.832
65 H PHE 10 HN PHE 10 -6.737 7.644 0.702
66 HA PHE 10 HA PHE 10 -5.589 10.288 0.368
67 HB2 PHE 10 HB2 PHE 10 -4.760 7.802 1.847
68 HB3 PHE 10 HB1 PHE 10 -3.641 9.136 1.605
69 HD1 PHE 10 HD1 PHE 10 -4.176 11.349 2.524
70 HD2 PHE 10 HD2 PHE 10 -6.410 7.881 3.514
71 HE1 PHE 10 HE1 PHE 10 -5.074 12.505 4.511
72 HE2 PHE 10 HE2 PHE 10 -7.319 9.018 5.503
73 HZ PHE 10 HZ PHE 10 -6.649 11.337 6.002
74 H LYS 11 HN LYS 11 -4.100 10.789 -1.114
75 HA LYS 11 HA LYS 11 -2.444 10.649 -2.654
76 HB2 LYS 11 HB2 LYS 11 -1.705 8.440 -0.748
77 HB3 LYS 11 HB1 LYS 11 -0.659 8.930 -2.065
78 HG2 LYS 11 HG2 LYS 11 0.166 10.057 -0.204
79 HG3 LYS 11 HG1 LYS 11 -0.761 11.273 -1.067
80 HD2 LYS 11 HD2 LYS 11 -2.607 10.952 0.484
81 HD3 LYS 11 HD1 LYS 11 -1.703 9.701 1.343
82 HE2 LYS 11 HE2 LYS 11 0.021 11.342 1.901
83 HE3 LYS 11 HE1 LYS 11 -0.872 12.591 1.036
84 HZ1 LYS 11 HZ1 LYS 11 -1.223 12.677 3.439
85 HZ2 LYS 11 HZ2 LYS 11 -1.875 11.121 3.413
86 HZ3 LYS 11 HZ3 LYS 11 -2.665 12.380 2.610
87 H GLY 12 HN GLY 12 -4.831 9.198 -3.431
88 HA2 GLY 12 HA2 GLY 12 -5.274 8.090 -5.454
89 HA3 GLY 12 HA1 GLY 12 -3.624 7.491 -5.471
90 HA PRO 13 HA PRO 13 -6.835 4.495 -3.440
91 HB2 PRO 13 HB2 PRO 13 -8.025 3.288 -5.516
92 HB3 PRO 13 HB1 PRO 13 -8.633 4.811 -4.858
93 HG2 PRO 13 HG2 PRO 13 -6.852 4.373 -7.238
94 HG3 PRO 13 HG1 PRO 13 -8.318 5.368 -7.121
95 HD2 PRO 13 HD2 PRO 13 -5.850 6.427 -6.930
96 HD3 PRO 13 HD1 PRO 13 -7.216 7.060 -5.985
97 H CYS 14 HN CYS 14 -6.991 2.010 -3.921
98 HA CYS 14 HA CYS 14 -4.830 0.947 -5.494
99 HB2 CYS 14 HB2 CYS 14 -3.611 1.500 -3.464
100 HB3 CYS 14 HB1 CYS 14 -4.781 0.616 -2.491
101 H ILE 15 HN ILE 15 -6.245 -0.639 -2.644
102 HA ILE 15 HA ILE 15 -7.871 -2.313 -4.408
103 HB ILE 15 HB ILE 15 -7.003 -4.374 -3.384
104 HG12 ILE 15 HG12 ILE 15 -5.211 -2.404 -1.988
105 HG13 ILE 15 HG11 ILE 15 -6.068 -3.798 -1.341
106 HG21 ILE 15 HG21 ILE 15 -4.904 -4.466 -4.647
107 HG22 ILE 15 HG22 ILE 15 -4.930 -2.708 -4.804
108 HG23 ILE 15 HG23 ILE 15 -6.190 -3.680 -5.563
109 HD11 ILE 15 HD11 ILE 15 -3.688 -4.187 -1.357
110 HD12 ILE 15 HD12 ILE 15 -3.633 -3.899 -3.095
111 HD13 ILE 15 HD13 ILE 15 -4.504 -5.294 -2.461
112 HA PRO 16 HA PRO 16 -10.412 -1.879 -0.818
113 HB2 PRO 16 HB2 PRO 16 -12.681 -2.837 -1.909
114 HB3 PRO 16 HB1 PRO 16 -11.982 -1.284 -2.375
115 HG2 PRO 16 HG2 PRO 16 -12.109 -3.797 -3.887
116 HG3 PRO 16 HG1 PRO 16 -11.849 -2.149 -4.471
117 HD2 PRO 16 HD2 PRO 16 -9.893 -4.216 -3.964
118 HD3 PRO 16 HD1 PRO 16 -9.642 -2.606 -4.659
119 H ASP 17 HN ASP 17 -8.842 -4.501 -1.228
120 HA ASP 17 HA ASP 17 -10.734 -6.468 -0.218
121 HB2 ASP 17 HB2 ASP 17 -7.765 -6.814 -0.658
122 HB3 ASP 17 HB1 ASP 17 -8.972 -8.083 -0.484
123 H GLY 18 HN GLY 18 -8.345 -4.295 1.018
124 HA2 GLY 18 HA2 GLY 18 -7.970 -3.799 3.276
125 HA3 GLY 18 HA1 GLY 18 -8.885 -5.231 3.717
126 H ASN 19 HN ASN 19 -6.881 -6.203 1.446
127 HA ASN 19 HA ASN 19 -5.045 -7.535 3.230
128 HB2 ASN 19 HB2 ASN 19 -4.347 -8.735 1.255
129 HB3 ASN 19 HB1 ASN 19 -6.103 -8.677 1.334
130 HD21 ASN 19 HD21 ASN 19 -6.018 -5.804 0.437
131 HD22 ASN 19 HD22 ASN 19 -5.778 -5.887 -1.262
132 H CYS 20 HN CYS 20 -4.637 -4.665 3.104
133 HA CYS 20 HA CYS 20 -2.970 -3.755 1.168
134 HB2 CYS 20 HB2 CYS 20 -2.201 -2.030 2.727
135 HB3 CYS 20 HB1 CYS 20 -3.948 -2.207 2.746
136 H ASN 21 HN ASN 21 -1.937 -5.197 4.244
137 HA ASN 21 HA ASN 21 0.799 -4.829 3.792
138 HB2 ASN 21 HB2 ASN 21 -0.717 -6.719 5.551
139 HB3 ASN 21 HB1 ASN 21 1.038 -6.771 5.462
140 HD21 ASN 21 HD21 ASN 21 1.219 -3.888 5.021
141 HD22 ASN 21 HD22 ASN 21 0.881 -3.173 6.556
142 H LYS 22 HN LYS 22 -1.131 -7.744 3.369
143 HA LYS 22 HA LYS 22 1.058 -9.245 2.436
144 HB2 LYS 22 HB2 LYS 22 -1.111 -10.624 1.504
145 HB3 LYS 22 HB1 LYS 22 -0.448 -10.766 3.125
146 HG2 LYS 22 HG2 LYS 22 -2.068 -9.113 3.931
147 HG3 LYS 22 HG1 LYS 22 -2.718 -8.962 2.306
148 HD2 LYS 22 HD2 LYS 22 -2.619 -11.590 3.731
149 HD3 LYS 22 HD1 LYS 22 -3.952 -10.459 3.948
150 HE2 LYS 22 HE2 LYS 22 -4.511 -10.547 1.649
151 HE3 LYS 22 HE1 LYS 22 -3.047 -11.459 1.261
152 HZ1 LYS 22 HZ1 LYS 22 -5.320 -12.426 2.911
153 HZ2 LYS 22 HZ2 LYS 22 -3.909 -13.301 2.587
154 HZ3 LYS 22 HZ3 LYS 22 -4.966 -12.906 1.329
155 H HIS 23 HN HIS 23 -1.348 -7.292 0.717
156 HA HIS 23 HA HIS 23 -0.793 -8.424 -1.819
157 HB2 HIS 23 HB2 HIS 23 -2.757 -6.884 -1.180
158 HB3 HIS 23 HB1 HIS 23 -1.636 -5.559 -1.488
159 HD1 HIS 23 HD1 HIS 23 -1.076 -5.029 -3.938
160 HD2 HIS 23 HD2 HIS 23 -3.490 -8.381 -3.472
161 HE1 HIS 23 HE1 HIS 23 -1.886 -5.608 -6.245
162 HE2 HIS 23 HE2 HIS 23 -3.459 -7.547 -5.918
163 H CYS 24 HN CYS 24 0.452 -5.437 -0.284
164 HA CYS 24 HA CYS 24 2.286 -4.832 -2.347
165 HB2 CYS 24 HB2 CYS 24 2.038 -4.078 0.535
166 HB3 CYS 24 HB1 CYS 24 3.565 -3.784 -0.269
167 H ARG 25 HN ARG 25 2.599 -6.712 0.655
168 HA ARG 25 HA ARG 25 5.463 -6.773 0.395
169 HB2 ARG 25 HB2 ARG 25 3.640 -8.091 2.405
170 HB3 ARG 25 HB1 ARG 25 5.384 -7.990 2.530
171 HG2 ARG 25 HG2 ARG 25 3.530 -5.640 2.427
172 HG3 ARG 25 HG1 ARG 25 4.241 -6.309 3.898
173 HD2 ARG 25 HD2 ARG 25 6.132 -5.688 1.740
174 HD3 ARG 25 HD1 ARG 25 5.347 -4.284 2.455
175 HE ARG 25 HE ARG 25 6.368 -4.782 4.516
176 HH11 ARG 25 HH11 ARG 25 7.260 -7.136 2.079
177 HH12 ARG 25 HH12 ARG 25 8.662 -7.676 2.939
178 HH21 ARG 25 HH21 ARG 25 8.209 -5.497 5.641
179 HH22 ARG 25 HH22 ARG 25 9.210 -6.740 4.956
180 H ASN 26 HN ASN 26 2.845 -9.089 -0.002
181 HA ASN 26 HA ASN 26 4.656 -11.300 -0.343
182 HB2 ASN 26 HB2 ASN 26 1.692 -11.038 -0.811
183 HB3 ASN 26 HB1 ASN 26 2.576 -12.523 -1.072
184 HD21 ASN 26 HD21 ASN 26 4.313 -11.921 1.280
185 HD22 ASN 26 HD22 ASN 26 3.334 -12.293 2.657
186 H ASN 27 HN ASN 27 2.768 -9.194 -2.451
187 HA ASN 27 HA ASN 27 3.400 -10.835 -4.745
188 HB2 ASN 27 HB2 ASN 27 1.855 -8.246 -4.565
189 HB3 ASN 27 HB1 ASN 27 1.975 -9.269 -5.993
190 HD21 ASN 27 HD21 ASN 27 0.688 -8.974 -2.779
191 HD22 ASN 27 HD22 ASN 27 -0.497 -10.223 -2.922
192 H GLU 28 HN GLU 28 4.096 -7.503 -3.679
193 HA GLU 28 HA GLU 28 6.041 -7.361 -5.877
194 HB2 GLU 28 HB2 GLU 28 4.073 -5.755 -5.843
195 HB3 GLU 28 HB1 GLU 28 4.824 -4.990 -4.442
196 HG2 GLU 28 HG2 GLU 28 6.751 -4.404 -5.744
197 HG3 GLU 28 HG1 GLU 28 6.140 -5.298 -7.135
198 H HIS 29 HN HIS 29 5.634 -7.207 -2.470
199 HA HIS 29 HA HIS 29 7.095 -7.533 -0.801
200 HB2 HIS 29 HB2 HIS 29 8.332 -8.892 -2.623
201 HB3 HIS 29 HB1 HIS 29 9.421 -7.511 -2.708
202 HD1 HIS 29 HD1 HIS 29 10.639 -6.897 -0.357
203 HD2 HIS 29 HD2 HIS 29 8.892 -10.659 -0.629
204 HE1 HIS 29 HE1 HIS 29 11.610 -8.231 1.534
205 HE2 HIS 29 HE2 HIS 29 10.412 -10.442 1.452
206 H LEU 30 HN LEU 30 6.265 -4.973 -1.343
207 HA LEU 30 HA LEU 30 8.381 -3.141 -1.369
208 HB2 LEU 30 HB2 LEU 30 5.538 -2.845 -0.438
209 HB3 LEU 30 HB1 LEU 30 6.688 -1.527 -0.460
210 HG LEU 30 HG LEU 30 6.982 -1.900 -2.888
211 HD11 LEU 30 HD11 LEU 30 6.357 -4.160 -2.934
212 HD12 LEU 30 HD12 LEU 30 5.344 -3.225 -4.043
213 HD13 LEU 30 HD13 LEU 30 4.707 -3.749 -2.479
214 HD21 LEU 30 HD21 LEU 30 5.340 -0.217 -1.936
215 HD22 LEU 30 HD22 LEU 30 4.090 -1.422 -2.247
216 HD23 LEU 30 HD23 LEU 30 5.031 -0.767 -3.585
217 H LEU 31 HN LEU 31 7.923 -1.431 0.724
218 HA LEU 31 HA LEU 31 9.513 -2.913 2.677
219 HB2 LEU 31 HB2 LEU 31 9.041 0.050 2.581
220 HB3 LEU 31 HB1 LEU 31 10.308 -0.798 3.446
221 HG LEU 31 HG LEU 31 10.021 -0.394 0.490
222 HD11 LEU 31 HD11 LEU 31 12.276 0.518 0.710
223 HD12 LEU 31 HD12 LEU 31 12.233 0.199 2.444
224 HD13 LEU 31 HD13 LEU 31 11.122 1.372 1.733
225 HD21 LEU 31 HD21 LEU 31 12.017 -1.835 0.234
226 HD22 LEU 31 HD22 LEU 31 10.569 -2.705 0.744
227 HD23 LEU 31 HD23 LEU 31 11.832 -2.327 1.918
228 H SER 32 HN SER 32 6.809 -0.559 2.843
229 HA SER 32 HA SER 32 6.205 -1.689 5.504
230 HB2 SER 32 HB2 SER 32 5.760 0.907 4.208
231 HB3 SER 32 HB1 SER 32 4.382 0.312 5.126
232 HG SER 32 HG SER 32 7.048 0.611 6.083
233 H GLY 33 HN GLY 33 4.906 -1.229 2.340
234 HA2 GLY 33 HA2 GLY 33 3.468 -2.499 1.153
235 HA3 GLY 33 HA1 GLY 33 3.735 -3.759 2.327
236 H ARG 34 HN ARG 34 2.117 -0.621 2.981
237 HA ARG 34 HA ARG 34 -0.254 -2.283 3.453
238 HB2 ARG 34 HB2 ARG 34 -0.156 0.638 4.197
239 HB3 ARG 34 HB1 ARG 34 -1.065 -0.682 4.929
240 HG2 ARG 34 HG2 ARG 34 0.878 -1.516 6.036
241 HG3 ARG 34 HG1 ARG 34 1.901 -0.328 5.217
242 HD2 ARG 34 HD2 ARG 34 0.395 1.465 6.246
243 HD3 ARG 34 HD1 ARG 34 -0.261 0.171 7.256
244 HE ARG 34 HE ARG 34 2.561 0.198 7.431
245 HH11 ARG 34 HH11 ARG 34 -0.284 1.927 8.513
246 HH12 ARG 34 HH12 ARG 34 0.499 2.590 9.911
247 HH21 ARG 34 HH21 ARG 34 3.592 1.069 9.269
248 HH22 ARG 34 HH22 ARG 34 2.698 2.096 10.346
249 H CYS 35 HN CYS 35 -0.735 -2.464 1.070
250 HA CYS 35 HA CYS 35 -1.762 0.033 -0.057
251 HB2 CYS 35 HB2 CYS 35 -0.280 -1.785 -1.303
252 HB3 CYS 35 HB1 CYS 35 -1.868 -2.453 -1.664
253 H ARG 36 HN ARG 36 -3.856 0.592 0.137
254 HA ARG 36 HA ARG 36 -5.900 -1.431 -0.332
255 HB2 ARG 36 HB2 ARG 36 -5.447 -0.123 2.246
256 HB3 ARG 36 HB1 ARG 36 -7.106 -0.058 1.698
257 HG2 ARG 36 HG2 ARG 36 -7.424 -2.275 1.982
258 HG3 ARG 36 HG1 ARG 36 -5.767 -2.684 1.542
259 HD2 ARG 36 HD2 ARG 36 -5.408 -3.033 3.698
260 HD3 ARG 36 HD1 ARG 36 -5.473 -1.288 3.906
261 HE ARG 36 HE ARG 36 -8.074 -2.342 4.065
262 HH11 ARG 36 HH11 ARG 36 -5.077 -2.251 5.879
263 HH12 ARG 36 HH12 ARG 36 -5.849 -2.523 7.407
264 HH21 ARG 36 HH21 ARG 36 -9.086 -2.710 6.096
265 HH22 ARG 36 HH22 ARG 36 -8.115 -2.775 7.529
266 H ASP 37 HN ASP 37 -8.130 -0.356 -0.416
267 HA ASP 37 HA ASP 37 -7.933 2.301 -1.670
268 HB2 ASP 37 HB2 ASP 37 -8.278 0.813 -3.475
269 HB3 ASP 37 HB1 ASP 37 -9.457 -0.133 -2.574
270 H ASP 38 HN ASP 38 -10.634 0.143 -0.833
271 HA ASP 38 HA ASP 38 -12.328 2.178 0.115
272 HB2 ASP 38 HB2 ASP 38 -13.158 -0.037 -0.562
273 HB3 ASP 38 HB1 ASP 38 -12.315 -0.777 0.798
274 H PHE 39 HN PHE 39 -9.948 0.183 1.595
275 HA PHE 39 HA PHE 39 -10.221 1.602 4.149
276 HB2 PHE 39 HB2 PHE 39 -8.430 -0.762 3.703
277 HB3 PHE 39 HB1 PHE 39 -9.199 -0.226 5.191
278 HD1 PHE 39 HD1 PHE 39 -11.634 -0.633 5.524
279 HD2 PHE 39 HD2 PHE 39 -9.463 -2.341 2.272
280 HE1 PHE 39 HE1 PHE 39 -13.421 -2.292 5.201
281 HE2 PHE 39 HE2 PHE 39 -11.256 -3.992 1.950
282 HZ PHE 39 HZ PHE 39 -13.232 -3.971 3.413
283 H ARG 40 HN ARG 40 -7.868 2.025 5.107
284 HA ARG 40 HA ARG 40 -6.282 2.973 2.834
285 HB2 ARG 40 HB2 ARG 40 -5.823 5.074 4.090
286 HB3 ARG 40 HB1 ARG 40 -7.506 4.887 3.626
287 HG2 ARG 40 HG2 ARG 40 -7.967 4.059 5.938
288 HG3 ARG 40 HG1 ARG 40 -6.308 4.495 6.357
289 HD2 ARG 40 HD2 ARG 40 -6.774 6.813 5.675
290 HD3 ARG 40 HD1 ARG 40 -8.441 6.362 5.330
291 HE ARG 40 HE ARG 40 -7.221 6.288 8.016
292 HH11 ARG 40 HH11 ARG 40 -10.002 6.702 5.927
293 HH12 ARG 40 HH12 ARG 40 -11.057 7.178 7.217
294 HH21 ARG 40 HH21 ARG 40 -8.617 6.924 9.712
295 HH22 ARG 40 HH22 ARG 40 -10.270 7.308 9.360
296 H CYS 41 HN CYS 41 -4.309 2.383 2.853
297 HA CYS 41 HA CYS 41 -2.976 1.771 5.380
298 HB2 CYS 41 HB2 CYS 41 -3.716 -0.006 3.199
299 HB3 CYS 41 HB1 CYS 41 -2.022 -0.132 3.626
300 H TRP 42 HN TRP 42 -0.726 2.288 5.470
301 HA TRP 42 HA TRP 42 0.376 3.975 3.357
302 HB2 TRP 42 HB2 TRP 42 1.501 3.083 6.018
303 HB3 TRP 42 HB1 TRP 42 2.374 4.107 4.899
304 HD1 TRP 42 HD1 TRP 42 -0.286 4.193 7.575
305 HE1 TRP 42 HE1 TRP 42 -0.895 6.644 8.075
306 HE3 TRP 42 HE3 TRP 42 2.171 6.450 3.706
307 HZ2 TRP 42 HZ2 TRP 42 -0.396 9.195 6.965
308 HZ3 TRP 42 HZ3 TRP 42 2.058 8.883 3.493
309 HH2 TRP 42 HH2 TRP 42 0.795 10.235 5.082
310 H CYS 43 HN CYS 43 1.206 2.777 1.533
311 HA CYS 43 HA CYS 43 3.027 0.578 2.265
312 HB2 CYS 43 HB2 CYS 43 1.204 0.103 0.564
313 HB3 CYS 43 HB1 CYS 43 2.096 1.138 -0.553
314 H THR 44 HN THR 44 5.076 0.958 2.348
315 HA THR 44 HA THR 44 6.261 3.264 0.998
316 HB THR 44 HB THR 44 7.710 1.422 2.881
317 HG1 THR 44 HG1 THR 44 6.519 3.687 3.975
318 HG21 THR 44 HG21 THR 44 8.571 3.888 3.462
319 HG22 THR 44 HG22 THR 44 8.119 4.128 1.770
320 HG23 THR 44 HG23 THR 44 9.285 2.883 2.206
321 H ASN 45 HN ASN 45 7.687 3.051 -0.657
322 HA ASN 45 HA ASN 45 8.788 0.393 -1.251
323 HB2 ASN 45 HB2 ASN 45 6.686 0.901 -2.607
324 HB3 ASN 45 HB1 ASN 45 7.617 2.165 -3.395
325 HD21 ASN 45 HD21 ASN 45 8.777 -0.988 -2.342
326 HD22 ASN 45 HD22 ASN 45 9.140 -1.581 -3.925
327 H ARG 46 HN ARG 46 10.437 0.622 -3.101
328 HA ARG 46 HA ARG 46 12.295 2.688 -2.279
329 HB2 ARG 46 HB2 ARG 46 12.619 0.395 -4.223
330 HB3 ARG 46 HB1 ARG 46 13.910 1.436 -3.643
331 HG2 ARG 46 HG2 ARG 46 14.142 0.278 -1.757
332 HG3 ARG 46 HG1 ARG 46 12.400 0.204 -1.487
333 HD2 ARG 46 HD2 ARG 46 12.187 -1.649 -2.996
334 HD3 ARG 46 HD1 ARG 46 13.887 -1.524 -3.460
335 HE ARG 46 HE ARG 46 14.083 -1.936 -0.827
336 HH11 ARG 46 HH11 ARG 46 12.180 -3.572 -3.266
337 HH12 ARG 46 HH12 ARG 46 12.211 -5.102 -2.447
338 HH21 ARG 46 HH21 ARG 46 14.129 -3.949 0.249
339 HH22 ARG 46 HH22 ARG 46 13.317 -5.313 -0.451
340 H CYS 47 HN CYS 47 12.444 4.544 -3.294
341 HA CYS 47 HA CYS 47 11.979 4.637 -6.192
342 HB2 CYS 47 HB2 CYS 47 11.100 6.638 -4.102
343 HB3 CYS 47 HB1 CYS 47 11.161 7.007 -5.821
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 12.005 7.518 7.565
2 H2 LYS 1 HT2 LYS 1 11.786 8.439 6.164
3 H3 LYS 1 HT3 LYS 1 13.231 7.603 6.403
4 HA LYS 1 HA LYS 1 12.124 5.503 6.231
5 HB2 LYS 1 HB2 LYS 1 9.744 5.396 5.625
6 HB3 LYS 1 HB1 LYS 1 9.963 6.181 7.185
7 HG2 LYS 1 HG2 LYS 1 9.749 8.370 6.082
8 HG3 LYS 1 HG1 LYS 1 9.452 7.547 4.553
9 HD2 LYS 1 HD2 LYS 1 7.456 6.488 5.542
10 HD3 LYS 1 HD1 LYS 1 7.752 7.375 7.041
11 HE2 LYS 1 HE2 LYS 1 7.580 9.491 5.755
12 HE3 LYS 1 HE1 LYS 1 7.146 8.553 4.331
13 HZ1 LYS 1 HZ1 LYS 1 5.204 7.712 5.572
14 HZ2 LYS 1 HZ2 LYS 1 5.176 9.394 5.375
15 HZ3 LYS 1 HZ3 LYS 1 5.611 8.730 6.864
16 H THR 2 HN THR 2 10.770 4.851 4.059
17 HA THR 2 HA THR 2 12.199 6.172 1.869
18 HB THR 2 HB THR 2 11.238 4.024 0.709
19 HG1 THR 2 HG1 THR 2 11.728 2.723 3.066
20 HG21 THR 2 HG21 THR 2 13.611 4.558 0.942
21 HG22 THR 2 HG22 THR 2 13.316 2.854 1.279
22 HG23 THR 2 HG23 THR 2 13.578 3.983 2.609
23 H CYS 3 HN CYS 3 10.738 5.870 -0.288
24 HA CYS 3 HA CYS 3 8.780 7.862 0.079
25 HB2 CYS 3 HB2 CYS 3 8.159 7.515 -2.254
26 HB3 CYS 3 HB1 CYS 3 9.905 7.540 -2.073
27 H GLU 4 HN GLU 4 6.909 7.681 1.022
28 HA GLU 4 HA GLU 4 5.541 5.082 0.945
29 HB2 GLU 4 HB2 GLU 4 6.608 5.520 3.132
30 HB3 GLU 4 HB1 GLU 4 5.697 7.019 3.257
31 HG2 GLU 4 HG2 GLU 4 3.603 5.685 3.178
32 HG3 GLU 4 HG1 GLU 4 4.586 4.219 3.243
33 H ASN 5 HN ASN 5 3.403 5.089 0.599
34 HA ASN 5 HA ASN 5 1.976 7.617 0.838
35 HB2 ASN 5 HB2 ASN 5 0.850 7.378 -1.273
36 HB3 ASN 5 HB1 ASN 5 2.581 7.377 -1.543
37 HD21 ASN 5 HD21 ASN 5 -0.306 5.439 -1.486
38 HD22 ASN 5 HD22 ASN 5 0.322 4.119 -2.412
39 H LEU 6 HN LEU 6 -0.144 7.426 1.290
40 HA LEU 6 HA LEU 6 -0.955 4.841 2.333
41 HB2 LEU 6 HB2 LEU 6 -1.223 7.319 3.365
42 HB3 LEU 6 HB1 LEU 6 -2.754 7.178 2.523
43 HG LEU 6 HG LEU 6 -1.707 5.394 4.749
44 HD11 LEU 6 HD11 LEU 6 -2.700 7.548 5.411
45 HD12 LEU 6 HD12 LEU 6 -3.700 6.183 5.903
46 HD13 LEU 6 HD13 LEU 6 -4.160 7.154 4.506
47 HD21 LEU 6 HD21 LEU 6 -3.929 5.018 2.780
48 HD22 LEU 6 HD22 LEU 6 -4.091 4.420 4.431
49 HD23 LEU 6 HD23 LEU 6 -2.757 3.847 3.417
50 H SER 7 HN SER 7 -1.998 3.529 1.034
51 HA SER 7 HA SER 7 -2.754 4.381 -1.576
52 HB2 SER 7 HB2 SER 7 -3.462 1.716 -0.371
53 HB3 SER 7 HB1 SER 7 -3.031 2.097 -2.037
54 HG SER 7 HG SER 7 -0.946 2.103 -1.532
55 H GLY 8 HN GLY 8 -4.854 4.097 -2.557
56 HA2 GLY 8 HA2 GLY 8 -7.154 3.317 -2.285
57 HA3 GLY 8 HA1 GLY 8 -7.087 3.913 -0.634
58 H THR 9 HN THR 9 -7.444 6.038 -0.220
59 HA THR 9 HA THR 9 -8.776 7.460 -2.360
60 HB THR 9 HB THR 9 -9.994 7.419 -0.317
61 HG1 THR 9 HG1 THR 9 -9.926 9.457 -1.491
62 HG21 THR 9 HG21 THR 9 -8.193 6.975 1.247
63 HG22 THR 9 HG22 THR 9 -9.133 8.368 1.781
64 HG23 THR 9 HG23 THR 9 -7.564 8.607 1.016
65 H PHE 10 HN PHE 10 -5.991 7.993 -0.182
66 HA PHE 10 HA PHE 10 -5.309 10.408 -1.657
67 HB2 PHE 10 HB2 PHE 10 -3.485 9.232 0.382
68 HB3 PHE 10 HB1 PHE 10 -3.836 10.919 0.044
69 HD1 PHE 10 HD1 PHE 10 -6.067 11.843 0.830
70 HD2 PHE 10 HD2 PHE 10 -4.479 8.120 2.119
71 HE1 PHE 10 HE1 PHE 10 -7.534 11.912 2.806
72 HE2 PHE 10 HE2 PHE 10 -5.947 8.174 4.099
73 HZ PHE 10 HZ PHE 10 -7.473 10.076 4.442
74 H LYS 11 HN LYS 11 -3.500 10.522 -3.023
75 HA LYS 11 HA LYS 11 -1.460 10.001 -3.885
76 HB2 LYS 11 HB2 LYS 11 -1.336 8.070 -1.563
77 HB3 LYS 11 HB1 LYS 11 0.030 8.708 -2.459
78 HG2 LYS 11 HG2 LYS 11 -0.020 10.710 -1.399
79 HG3 LYS 11 HG1 LYS 11 -1.775 10.690 -1.217
80 HD2 LYS 11 HD2 LYS 11 -1.599 9.086 0.598
81 HD3 LYS 11 HD1 LYS 11 0.135 8.990 0.378
82 HE2 LYS 11 HE2 LYS 11 -1.455 11.385 1.276
83 HE3 LYS 11 HE1 LYS 11 -0.370 10.411 2.263
84 HZ1 LYS 11 HZ1 LYS 11 0.432 12.099 -0.046
85 HZ2 LYS 11 HZ2 LYS 11 1.480 11.154 0.886
86 HZ3 LYS 11 HZ3 LYS 11 0.677 12.468 1.585
87 H GLY 12 HN GLY 12 -3.879 8.365 -4.639
88 HA2 GLY 12 HA2 GLY 12 -3.875 6.904 -6.543
89 HA3 GLY 12 HA1 GLY 12 -2.381 6.195 -5.954
90 HA PRO 13 HA PRO 13 -6.327 4.132 -4.119
91 HB2 PRO 13 HB2 PRO 13 -7.634 2.882 -6.082
92 HB3 PRO 13 HB1 PRO 13 -7.909 4.597 -5.737
93 HG2 PRO 13 HG2 PRO 13 -6.194 3.357 -7.864
94 HG3 PRO 13 HG1 PRO 13 -7.338 4.706 -8.004
95 HD2 PRO 13 HD2 PRO 13 -4.637 5.032 -7.733
96 HD3 PRO 13 HD1 PRO 13 -5.826 6.223 -7.172
97 H CYS 14 HN CYS 14 -7.061 1.711 -4.407
98 HA CYS 14 HA CYS 14 -5.216 -0.140 -5.509
99 HB2 CYS 14 HB2 CYS 14 -3.903 0.707 -3.554
100 HB3 CYS 14 HB1 CYS 14 -5.188 0.163 -2.487
101 H ILE 15 HN ILE 15 -5.888 -2.213 -3.478
102 HA ILE 15 HA ILE 15 -8.568 -2.709 -4.496
103 HB ILE 15 HB ILE 15 -8.248 -4.991 -3.685
104 HG12 ILE 15 HG12 ILE 15 -5.595 -3.895 -2.676
105 HG13 ILE 15 HG11 ILE 15 -6.906 -4.597 -1.724
106 HG21 ILE 15 HG21 ILE 15 -5.931 -3.927 -5.296
107 HG22 ILE 15 HG22 ILE 15 -7.510 -4.389 -5.929
108 HG23 ILE 15 HG23 ILE 15 -6.449 -5.612 -5.230
109 HD11 ILE 15 HD11 ILE 15 -5.066 -6.162 -1.990
110 HD12 ILE 15 HD12 ILE 15 -5.255 -6.091 -3.740
111 HD13 ILE 15 HD13 ILE 15 -6.543 -6.764 -2.740
112 HA PRO 16 HA PRO 16 -10.318 -1.589 -0.559
113 HB2 PRO 16 HB2 PRO 16 -12.922 -2.398 -1.415
114 HB3 PRO 16 HB1 PRO 16 -12.247 -0.769 -1.391
115 HG2 PRO 16 HG2 PRO 16 -12.888 -2.185 -3.678
116 HG3 PRO 16 HG1 PRO 16 -11.763 -0.819 -3.612
117 HD2 PRO 16 HD2 PRO 16 -11.190 -3.751 -3.672
118 HD3 PRO 16 HD1 PRO 16 -10.322 -2.413 -4.452
119 H ASP 17 HN ASP 17 -9.095 -3.969 -0.201
120 HA ASP 17 HA ASP 17 -11.196 -5.747 0.857
121 HB2 ASP 17 HB2 ASP 17 -8.391 -6.443 -0.018
122 HB3 ASP 17 HB1 ASP 17 -9.524 -7.574 0.712
123 H GLY 18 HN GLY 18 -8.524 -3.786 1.741
124 HA2 GLY 18 HA2 GLY 18 -7.990 -3.161 3.948
125 HA3 GLY 18 HA1 GLY 18 -8.890 -4.545 4.533
126 H ASN 19 HN ASN 19 -7.165 -5.775 2.208
127 HA ASN 19 HA ASN 19 -5.285 -7.056 3.961
128 HB2 ASN 19 HB2 ASN 19 -4.860 -8.518 2.043
129 HB3 ASN 19 HB1 ASN 19 -6.582 -8.348 2.337
130 HD21 ASN 19 HD21 ASN 19 -6.386 -5.569 1.078
131 HD22 ASN 19 HD22 ASN 19 -6.424 -5.891 -0.610
132 H CYS 20 HN CYS 20 -4.552 -4.514 3.870
133 HA CYS 20 HA CYS 20 -3.127 -3.542 1.769
134 HB2 CYS 20 HB2 CYS 20 -2.071 -2.015 3.370
135 HB3 CYS 20 HB1 CYS 20 -3.795 -2.131 3.571
136 H ASN 21 HN ASN 21 -1.554 -4.991 4.652
137 HA ASN 21 HA ASN 21 1.042 -4.757 3.667
138 HB2 ASN 21 HB2 ASN 21 -0.121 -6.773 5.596
139 HB3 ASN 21 HB1 ASN 21 1.595 -6.650 5.264
140 HD21 ASN 21 HD21 ASN 21 1.616 -3.789 5.070
141 HD22 ASN 21 HD22 ASN 21 1.399 -3.199 6.673
142 H LYS 22 HN LYS 22 -0.968 -7.694 3.623
143 HA LYS 22 HA LYS 22 0.968 -9.230 2.361
144 HB2 LYS 22 HB2 LYS 22 -1.197 -10.591 1.617
145 HB3 LYS 22 HB1 LYS 22 -0.585 -10.614 3.260
146 HG2 LYS 22 HG2 LYS 22 -2.237 -8.924 3.899
147 HG3 LYS 22 HG1 LYS 22 -2.861 -8.897 2.242
148 HD2 LYS 22 HD2 LYS 22 -3.614 -11.141 2.411
149 HD3 LYS 22 HD1 LYS 22 -2.708 -11.415 3.897
150 HE2 LYS 22 HE2 LYS 22 -5.076 -9.572 3.579
151 HE3 LYS 22 HE1 LYS 22 -5.096 -11.160 4.337
152 HZ1 LYS 22 HZ1 LYS 22 -3.567 -10.337 6.013
153 HZ2 LYS 22 HZ2 LYS 22 -4.975 -9.404 5.980
154 HZ3 LYS 22 HZ3 LYS 22 -3.553 -8.811 5.288
155 H HIS 23 HN HIS 23 -1.492 -7.152 0.887
156 HA HIS 23 HA HIS 23 -1.182 -8.202 -1.722
157 HB2 HIS 23 HB2 HIS 23 -3.072 -6.711 -1.005
158 HB3 HIS 23 HB1 HIS 23 -1.947 -5.357 -1.048
159 HD1 HIS 23 HD1 HIS 23 -2.147 -4.073 -3.169
160 HD2 HIS 23 HD2 HIS 23 -2.919 -8.115 -3.734
161 HE1 HIS 23 HE1 HIS 23 -2.740 -4.311 -5.595
162 HE2 HIS 23 HE2 HIS 23 -3.127 -6.777 -5.938
163 H CYS 24 HN CYS 24 0.211 -5.258 -0.273
164 HA CYS 24 HA CYS 24 1.793 -4.602 -2.532
165 HB2 CYS 24 HB2 CYS 24 1.268 -3.440 -0.003
166 HB3 CYS 24 HB1 CYS 24 2.978 -3.712 -0.065
167 H ARG 25 HN ARG 25 2.333 -6.669 0.246
168 HA ARG 25 HA ARG 25 5.204 -6.661 -0.132
169 HB2 ARG 25 HB2 ARG 25 3.489 -8.131 1.860
170 HB3 ARG 25 HB1 ARG 25 5.240 -8.051 1.893
171 HG2 ARG 25 HG2 ARG 25 3.435 -5.670 2.039
172 HG3 ARG 25 HG1 ARG 25 4.138 -6.480 3.444
173 HD2 ARG 25 HD2 ARG 25 5.874 -5.551 1.202
174 HD3 ARG 25 HD1 ARG 25 5.344 -4.396 2.433
175 HE ARG 25 HE ARG 25 7.342 -6.424 2.693
176 HH11 ARG 25 HH11 ARG 25 4.895 -4.676 4.502
177 HH12 ARG 25 HH12 ARG 25 5.681 -4.908 6.026
178 HH21 ARG 25 HH21 ARG 25 8.361 -6.736 4.721
179 HH22 ARG 25 HH22 ARG 25 7.636 -6.068 6.150
180 H ASN 26 HN ASN 26 2.543 -8.938 -0.595
181 HA ASN 26 HA ASN 26 4.435 -11.024 -1.298
182 HB2 ASN 26 HB2 ASN 26 1.440 -10.963 -1.130
183 HB3 ASN 26 HB1 ASN 26 2.298 -12.324 -1.837
184 HD21 ASN 26 HD21 ASN 26 1.615 -10.565 1.023
185 HD22 ASN 26 HD22 ASN 26 2.211 -11.727 2.155
186 H ASN 27 HN ASN 27 2.319 -8.788 -2.916
187 HA ASN 27 HA ASN 27 2.635 -10.126 -5.460
188 HB2 ASN 27 HB2 ASN 27 1.188 -7.577 -4.735
189 HB3 ASN 27 HB1 ASN 27 1.211 -8.286 -6.344
190 HD21 ASN 27 HD21 ASN 27 0.045 -8.586 -3.091
191 HD22 ASN 27 HD22 ASN 27 -1.149 -9.804 -3.415
192 H GLU 28 HN GLU 28 3.548 -6.966 -4.069
193 HA GLU 28 HA GLU 28 5.324 -6.617 -6.385
194 HB2 GLU 28 HB2 GLU 28 3.492 -4.907 -5.876
195 HB3 GLU 28 HB1 GLU 28 4.462 -4.436 -4.490
196 HG2 GLU 28 HG2 GLU 28 4.819 -2.987 -6.430
197 HG3 GLU 28 HG1 GLU 28 6.294 -3.823 -5.937
198 H HIS 29 HN HIS 29 5.212 -6.991 -2.989
199 HA HIS 29 HA HIS 29 6.764 -7.376 -1.421
200 HB2 HIS 29 HB2 HIS 29 7.775 -8.823 -3.180
201 HB3 HIS 29 HB1 HIS 29 8.765 -7.461 -3.692
202 HD1 HIS 29 HD1 HIS 29 8.156 -9.491 -0.537
203 HD2 HIS 29 HD2 HIS 29 11.165 -7.356 -2.443
204 HE1 HIS 29 HE1 HIS 29 10.194 -9.770 0.902
205 HE2 HIS 29 HE2 HIS 29 11.937 -8.292 -0.161
206 H LEU 30 HN LEU 30 6.030 -4.857 -1.446
207 HA LEU 30 HA LEU 30 8.361 -3.161 -1.712
208 HB2 LEU 30 HB2 LEU 30 5.667 -2.385 -0.613
209 HB3 LEU 30 HB1 LEU 30 6.953 -1.311 -1.121
210 HG LEU 30 HG LEU 30 5.102 -2.955 -2.823
211 HD11 LEU 30 HD11 LEU 30 5.912 -0.056 -2.904
212 HD12 LEU 30 HD12 LEU 30 4.421 -0.676 -2.193
213 HD13 LEU 30 HD13 LEU 30 4.710 -0.832 -3.931
214 HD21 LEU 30 HD21 LEU 30 7.712 -1.722 -3.679
215 HD22 LEU 30 HD22 LEU 30 6.460 -2.303 -4.775
216 HD23 LEU 30 HD23 LEU 30 7.290 -3.434 -3.706
217 H LEU 31 HN LEU 31 7.837 -1.384 0.489
218 HA LEU 31 HA LEU 31 9.452 -2.920 2.362
219 HB2 LEU 31 HB2 LEU 31 8.842 0.025 2.379
220 HB3 LEU 31 HB1 LEU 31 10.119 -0.793 3.259
221 HG LEU 31 HG LEU 31 9.891 -0.407 0.298
222 HD11 LEU 31 HD11 LEU 31 12.052 0.710 0.596
223 HD12 LEU 31 HD12 LEU 31 11.929 0.449 2.333
224 HD13 LEU 31 HD13 LEU 31 10.760 1.483 1.510
225 HD21 LEU 31 HD21 LEU 31 10.643 -2.645 0.614
226 HD22 LEU 31 HD22 LEU 31 11.816 -2.134 1.831
227 HD23 LEU 31 HD23 LEU 31 12.025 -1.653 0.145
228 H SER 32 HN SER 32 6.539 -0.861 2.546
229 HA SER 32 HA SER 32 6.117 -1.996 5.261
230 HB2 SER 32 HB2 SER 32 5.371 0.630 4.015
231 HB3 SER 32 HB1 SER 32 4.410 -0.018 5.332
232 HG SER 32 HG SER 32 6.480 1.422 5.629
233 H GLY 33 HN GLY 33 4.789 -1.203 2.232
234 HA2 GLY 33 HA2 GLY 33 3.471 -2.371 0.867
235 HA3 GLY 33 HA1 GLY 33 3.744 -3.755 1.906
236 H ARG 34 HN ARG 34 2.007 -0.744 2.788
237 HA ARG 34 HA ARG 34 -0.217 -2.523 3.395
238 HB2 ARG 34 HB2 ARG 34 -0.123 0.446 3.960
239 HB3 ARG 34 HB1 ARG 34 -1.086 -0.801 4.739
240 HG2 ARG 34 HG2 ARG 34 0.801 -1.699 5.876
241 HG3 ARG 34 HG1 ARG 34 1.900 -0.637 4.988
242 HD2 ARG 34 HD2 ARG 34 1.668 0.648 6.867
243 HD3 ARG 34 HD1 ARG 34 0.256 1.221 5.981
244 HE ARG 34 HE ARG 34 -0.788 -0.806 7.365
245 HH11 ARG 34 HH11 ARG 34 1.348 1.773 8.394
246 HH12 ARG 34 HH12 ARG 34 0.671 1.862 9.986
247 HH21 ARG 34 HH21 ARG 34 -1.673 -0.700 9.458
248 HH22 ARG 34 HH22 ARG 34 -1.043 0.449 10.596
249 H CYS 35 HN CYS 35 -0.723 -2.854 0.993
250 HA CYS 35 HA CYS 35 -1.979 -0.516 -0.246
251 HB2 CYS 35 HB2 CYS 35 -0.289 -2.040 -1.463
252 HB3 CYS 35 HB1 CYS 35 -1.648 -3.140 -1.650
253 H ARG 36 HN ARG 36 -4.049 -0.153 -0.143
254 HA ARG 36 HA ARG 36 -5.995 -2.028 -1.045
255 HB2 ARG 36 HB2 ARG 36 -7.141 -0.910 1.364
256 HB3 ARG 36 HB1 ARG 36 -7.162 -2.557 0.811
257 HG2 ARG 36 HG2 ARG 36 -5.693 -3.163 2.319
258 HG3 ARG 36 HG1 ARG 36 -4.612 -1.843 1.849
259 HD2 ARG 36 HD2 ARG 36 -6.943 -1.748 3.676
260 HD3 ARG 36 HD1 ARG 36 -5.278 -1.441 4.070
261 HE ARG 36 HE ARG 36 -7.064 0.493 3.208
262 HH11 ARG 36 HH11 ARG 36 -3.786 -0.483 2.388
263 HH12 ARG 36 HH12 ARG 36 -3.355 1.064 1.743
264 HH21 ARG 36 HH21 ARG 36 -6.492 2.497 2.321
265 HH22 ARG 36 HH22 ARG 36 -4.902 2.736 1.653
266 H ASP 37 HN ASP 37 -8.246 -0.973 -0.561
267 HA ASP 37 HA ASP 37 -8.156 1.947 -0.787
268 HB2 ASP 37 HB2 ASP 37 -8.526 0.997 -3.062
269 HB3 ASP 37 HB1 ASP 37 -9.898 0.082 -2.443
270 H ASP 38 HN ASP 38 -10.252 2.856 -0.108
271 HA ASP 38 HA ASP 38 -12.101 3.072 1.226
272 HB2 ASP 38 HB2 ASP 38 -12.937 0.913 0.341
273 HB3 ASP 38 HB1 ASP 38 -11.987 0.058 1.554
274 H PHE 39 HN PHE 39 -9.941 0.579 2.429
275 HA PHE 39 HA PHE 39 -10.000 1.579 5.146
276 HB2 PHE 39 HB2 PHE 39 -8.264 -0.524 3.856
277 HB3 PHE 39 HB1 PHE 39 -8.492 -0.292 5.575
278 HD1 PHE 39 HD1 PHE 39 -10.701 -0.765 6.601
279 HD2 PHE 39 HD2 PHE 39 -9.812 -1.787 2.563
280 HE1 PHE 39 HE1 PHE 39 -12.631 -2.287 6.565
281 HE2 PHE 39 HE2 PHE 39 -11.746 -3.307 2.524
282 HZ PHE 39 HZ PHE 39 -13.159 -3.560 4.524
283 H ARG 40 HN ARG 40 -7.665 1.965 6.164
284 HA ARG 40 HA ARG 40 -6.075 3.409 4.140
285 HB2 ARG 40 HB2 ARG 40 -6.685 4.316 6.958
286 HB3 ARG 40 HB1 ARG 40 -5.428 5.029 5.964
287 HG2 ARG 40 HG2 ARG 40 -7.217 6.487 5.731
288 HG3 ARG 40 HG1 ARG 40 -7.301 5.498 4.274
289 HD2 ARG 40 HD2 ARG 40 -9.052 4.144 5.259
290 HD3 ARG 40 HD1 ARG 40 -8.922 5.037 6.774
291 HE ARG 40 HE ARG 40 -9.468 6.803 4.628
292 HH11 ARG 40 HH11 ARG 40 -10.996 4.397 6.662
293 HH12 ARG 40 HH12 ARG 40 -12.572 5.108 6.529
294 HH21 ARG 40 HH21 ARG 40 -11.536 7.726 4.436
295 HH22 ARG 40 HH22 ARG 40 -12.883 7.001 5.258
296 H CYS 41 HN CYS 41 -4.313 2.353 3.882
297 HA CYS 41 HA CYS 41 -2.620 1.676 6.157
298 HB2 CYS 41 HB2 CYS 41 -4.114 -0.160 4.738
299 HB3 CYS 41 HB1 CYS 41 -2.541 -0.287 3.981
300 H TRP 42 HN TRP 42 -0.493 2.483 5.786
301 HA TRP 42 HA TRP 42 0.180 3.739 3.263
302 HB2 TRP 42 HB2 TRP 42 1.806 3.370 5.778
303 HB3 TRP 42 HB1 TRP 42 2.282 4.368 4.414
304 HD1 TRP 42 HD1 TRP 42 -0.261 4.256 7.286
305 HE1 TRP 42 HE1 TRP 42 -1.135 6.642 7.681
306 HE3 TRP 42 HE3 TRP 42 1.979 6.611 3.345
307 HZ2 TRP 42 HZ2 TRP 42 -0.915 9.168 6.469
308 HZ3 TRP 42 HZ3 TRP 42 1.603 9.007 3.033
309 HH2 TRP 42 HH2 TRP 42 0.179 10.271 4.560
310 H CYS 43 HN CYS 43 1.148 2.645 1.505
311 HA CYS 43 HA CYS 43 3.013 0.474 2.218
312 HB2 CYS 43 HB2 CYS 43 1.318 -0.067 0.460
313 HB3 CYS 43 HB1 CYS 43 2.068 1.148 -0.581
314 H THR 44 HN THR 44 5.069 0.845 2.305
315 HA THR 44 HA THR 44 6.188 3.284 1.146
316 HB THR 44 HB THR 44 7.646 1.465 3.045
317 HG1 THR 44 HG1 THR 44 6.222 3.585 4.146
318 HG21 THR 44 HG21 THR 44 7.811 4.309 2.200
319 HG22 THR 44 HG22 THR 44 9.087 3.103 2.382
320 HG23 THR 44 HG23 THR 44 8.365 3.847 3.810
321 H ASN 45 HN ASN 45 7.980 3.249 -0.221
322 HA ASN 45 HA ASN 45 9.123 0.672 -1.006
323 HB2 ASN 45 HB2 ASN 45 7.114 1.303 -2.486
324 HB3 ASN 45 HB1 ASN 45 8.124 2.609 -3.088
325 HD21 ASN 45 HD21 ASN 45 9.160 -0.649 -2.213
326 HD22 ASN 45 HD22 ASN 45 9.645 -1.111 -3.809
327 H ARG 46 HN ARG 46 10.888 1.242 -2.810
328 HA ARG 46 HA ARG 46 12.461 3.462 -1.734
329 HB2 ARG 46 HB2 ARG 46 13.235 1.247 -3.640
330 HB3 ARG 46 HB1 ARG 46 14.322 2.493 -3.044
331 HG2 ARG 46 HG2 ARG 46 14.764 1.309 -1.238
332 HG3 ARG 46 HG1 ARG 46 13.050 1.206 -0.841
333 HD2 ARG 46 HD2 ARG 46 12.792 -0.720 -2.274
334 HD3 ARG 46 HD1 ARG 46 14.471 -0.585 -2.798
335 HE ARG 46 HE ARG 46 14.397 -0.830 -0.002
336 HH11 ARG 46 HH11 ARG 46 13.779 -2.719 -2.874
337 HH12 ARG 46 HH12 ARG 46 14.174 -4.229 -2.121
338 HH21 ARG 46 HH21 ARG 46 14.931 -2.806 0.997
339 HH22 ARG 46 HH22 ARG 46 14.839 -4.279 0.082
340 H CYS 47 HN CYS 47 12.639 5.317 -2.783
341 HA CYS 47 HA CYS 47 12.192 5.373 -5.684
342 HB2 CYS 47 HB2 CYS 47 11.071 7.297 -3.644
343 HB3 CYS 47 HB1 CYS 47 11.015 7.557 -5.384
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 13.484 5.234 6.213
2 H2 LYS 1 HT2 LYS 1 12.256 5.272 7.373
3 H3 LYS 1 HT3 LYS 1 12.548 6.626 6.405
4 HA LYS 1 HA LYS 1 11.578 4.002 5.452
5 HB2 LYS 1 HB2 LYS 1 10.209 6.614 6.018
6 HB3 LYS 1 HB1 LYS 1 9.570 5.516 4.807
7 HG2 LYS 1 HG2 LYS 1 9.371 3.770 6.523
8 HG3 LYS 1 HG1 LYS 1 9.963 4.915 7.730
9 HD2 LYS 1 HD2 LYS 1 8.067 6.361 7.357
10 HD3 LYS 1 HD1 LYS 1 7.509 5.344 6.028
11 HE2 LYS 1 HE2 LYS 1 7.114 3.511 7.567
12 HE3 LYS 1 HE1 LYS 1 7.742 4.473 8.905
13 HZ1 LYS 1 HZ1 LYS 1 5.922 6.020 8.608
14 HZ2 LYS 1 HZ2 LYS 1 5.321 4.460 8.847
15 HZ3 LYS 1 HZ3 LYS 1 5.333 5.131 7.291
16 H THR 2 HN THR 2 10.903 4.017 3.262
17 HA THR 2 HA THR 2 12.170 6.026 1.552
18 HB THR 2 HB THR 2 11.778 4.535 -0.315
19 HG1 THR 2 HG1 THR 2 9.971 3.433 0.130
20 HG21 THR 2 HG21 THR 2 13.261 2.707 0.298
21 HG22 THR 2 HG22 THR 2 12.988 3.044 2.009
22 HG23 THR 2 HG23 THR 2 13.826 4.224 1.001
23 H CYS 3 HN CYS 3 10.584 6.110 -0.576
24 HA CYS 3 HA CYS 3 8.656 7.970 0.162
25 HB2 CYS 3 HB2 CYS 3 8.479 6.281 -2.333
26 HB3 CYS 3 HB1 CYS 3 7.977 7.956 -2.113
27 H GLU 4 HN GLU 4 6.871 7.654 1.307
28 HA GLU 4 HA GLU 4 5.426 5.112 0.989
29 HB2 GLU 4 HB2 GLU 4 6.606 5.132 3.132
30 HB3 GLU 4 HB1 GLU 4 5.880 6.680 3.532
31 HG2 GLU 4 HG2 GLU 4 3.641 5.555 3.428
32 HG3 GLU 4 HG1 GLU 4 4.492 4.014 3.290
33 H ASN 5 HN ASN 5 3.230 5.207 0.957
34 HA ASN 5 HA ASN 5 1.959 7.781 1.447
35 HB2 ASN 5 HB2 ASN 5 0.689 7.696 -0.624
36 HB3 ASN 5 HB1 ASN 5 2.407 7.722 -0.967
37 HD21 ASN 5 HD21 ASN 5 -0.499 5.868 -1.008
38 HD22 ASN 5 HD22 ASN 5 0.081 4.584 -2.018
39 H LEU 6 HN LEU 6 -0.196 7.648 1.959
40 HA LEU 6 HA LEU 6 -1.029 5.030 2.902
41 HB2 LEU 6 HB2 LEU 6 -1.283 7.462 4.041
42 HB3 LEU 6 HB1 LEU 6 -2.828 7.351 3.220
43 HG LEU 6 HG LEU 6 -1.745 5.493 5.354
44 HD11 LEU 6 HD11 LEU 6 -3.726 6.187 6.569
45 HD12 LEU 6 HD12 LEU 6 -4.225 7.209 5.226
46 HD13 LEU 6 HD13 LEU 6 -2.759 7.591 6.124
47 HD21 LEU 6 HD21 LEU 6 -3.981 4.375 5.094
48 HD22 LEU 6 HD22 LEU 6 -2.774 4.039 3.853
49 HD23 LEU 6 HD23 LEU 6 -4.096 5.171 3.522
50 H SER 7 HN SER 7 -2.067 3.781 1.593
51 HA SER 7 HA SER 7 -3.169 4.794 -0.850
52 HB2 SER 7 HB2 SER 7 -3.597 2.353 -1.295
53 HB3 SER 7 HB1 SER 7 -1.910 2.768 -1.007
54 HG SER 7 HG SER 7 -2.214 2.037 1.168
55 H GLY 8 HN GLY 8 -5.190 5.283 -1.215
56 HA2 GLY 8 HA2 GLY 8 -7.418 3.835 -0.351
57 HA3 GLY 8 HA1 GLY 8 -7.199 5.188 0.749
58 H THR 9 HN THR 9 -6.236 7.073 -1.025
59 HA THR 9 HA THR 9 -7.677 7.469 -3.357
60 HB THR 9 HB THR 9 -9.723 7.451 -2.037
61 HG1 THR 9 HG1 THR 9 -10.001 8.898 -3.616
62 HG21 THR 9 HG21 THR 9 -8.843 8.051 0.142
63 HG22 THR 9 HG22 THR 9 -10.138 9.163 -0.306
64 HG23 THR 9 HG23 THR 9 -8.452 9.671 -0.433
65 H PHE 10 HN PHE 10 -6.461 8.968 -0.416
66 HA PHE 10 HA PHE 10 -5.458 11.250 -1.857
67 HB2 PHE 10 HB2 PHE 10 -4.286 11.492 0.549
68 HB3 PHE 10 HB1 PHE 10 -5.931 12.024 0.240
69 HD1 PHE 10 HD1 PHE 10 -7.756 11.034 1.322
70 HD2 PHE 10 HD2 PHE 10 -3.896 9.289 1.694
71 HE1 PHE 10 HE1 PHE 10 -8.594 9.576 3.117
72 HE2 PHE 10 HE2 PHE 10 -4.730 7.823 3.479
73 HZ PHE 10 HZ PHE 10 -7.079 7.965 4.198
74 H LYS 11 HN LYS 11 -3.373 11.576 -2.402
75 HA LYS 11 HA LYS 11 -1.387 10.981 -3.273
76 HB2 LYS 11 HB2 LYS 11 0.308 10.461 -1.689
77 HB3 LYS 11 HB1 LYS 11 -0.873 11.489 -0.900
78 HG2 LYS 11 HG2 LYS 11 -1.269 8.595 -0.535
79 HG3 LYS 11 HG1 LYS 11 0.167 9.287 0.208
80 HD2 LYS 11 HD2 LYS 11 -2.556 10.453 0.570
81 HD3 LYS 11 HD1 LYS 11 -1.901 9.217 1.640
82 HE2 LYS 11 HE2 LYS 11 -0.087 10.664 2.273
83 HE3 LYS 11 HE1 LYS 11 -0.557 11.857 1.064
84 HZ1 LYS 11 HZ1 LYS 11 -2.236 11.069 3.377
85 HZ2 LYS 11 HZ2 LYS 11 -2.554 12.310 2.274
86 HZ3 LYS 11 HZ3 LYS 11 -1.248 12.437 3.337
87 H GLY 12 HN GLY 12 -3.479 9.023 -3.760
88 HA2 GLY 12 HA2 GLY 12 -3.141 7.270 -5.352
89 HA3 GLY 12 HA1 GLY 12 -1.672 6.830 -4.504
90 HA PRO 13 HA PRO 13 -5.245 4.359 -2.618
91 HB2 PRO 13 HB2 PRO 13 -7.010 3.475 -4.393
92 HB3 PRO 13 HB1 PRO 13 -7.139 5.115 -3.744
93 HG2 PRO 13 HG2 PRO 13 -6.157 4.205 -6.405
94 HG3 PRO 13 HG1 PRO 13 -7.063 5.666 -5.980
95 HD2 PRO 13 HD2 PRO 13 -4.273 5.466 -6.360
96 HD3 PRO 13 HD1 PRO 13 -5.149 6.842 -5.666
97 H CYS 14 HN CYS 14 -5.918 1.898 -3.136
98 HA CYS 14 HA CYS 14 -3.982 0.685 -4.942
99 HB2 CYS 14 HB2 CYS 14 -3.071 0.917 -2.524
100 HB3 CYS 14 HB1 CYS 14 -4.157 -0.419 -2.158
101 H ILE 15 HN ILE 15 -5.616 -1.213 -2.445
102 HA ILE 15 HA ILE 15 -7.460 -2.187 -4.519
103 HB ILE 15 HB ILE 15 -7.125 -4.496 -3.798
104 HG12 ILE 15 HG12 ILE 15 -4.819 -3.470 -2.138
105 HG13 ILE 15 HG11 ILE 15 -6.388 -3.900 -1.466
106 HG21 ILE 15 HG21 ILE 15 -4.559 -3.117 -4.574
107 HG22 ILE 15 HG22 ILE 15 -5.826 -3.659 -5.674
108 HG23 ILE 15 HG23 ILE 15 -4.895 -4.839 -4.752
109 HD11 ILE 15 HD11 ILE 15 -4.814 -5.701 -1.176
110 HD12 ILE 15 HD12 ILE 15 -4.507 -5.742 -2.912
111 HD13 ILE 15 HD13 ILE 15 -6.096 -6.184 -2.288
112 HA PRO 16 HA PRO 16 -10.393 -1.579 -1.241
113 HB2 PRO 16 HB2 PRO 16 -12.383 -3.015 -2.784
114 HB3 PRO 16 HB1 PRO 16 -12.256 -1.282 -2.480
115 HG2 PRO 16 HG2 PRO 16 -11.859 -2.401 -4.931
116 HG3 PRO 16 HG1 PRO 16 -11.079 -0.899 -4.408
117 HD2 PRO 16 HD2 PRO 16 -9.968 -3.681 -4.498
118 HD3 PRO 16 HD1 PRO 16 -9.203 -2.143 -4.950
119 H ASP 17 HN ASP 17 -8.841 -4.292 -1.565
120 HA ASP 17 HA ASP 17 -10.798 -6.183 -0.568
121 HB2 ASP 17 HB2 ASP 17 -7.844 -6.540 -1.074
122 HB3 ASP 17 HB1 ASP 17 -9.003 -7.827 -0.764
123 H GLY 18 HN GLY 18 -8.300 -4.145 0.722
124 HA2 GLY 18 HA2 GLY 18 -8.251 -3.406 2.927
125 HA3 GLY 18 HA1 GLY 18 -9.339 -4.702 3.374
126 H ASN 19 HN ASN 19 -7.065 -6.234 1.776
127 HA ASN 19 HA ASN 19 -5.582 -6.966 4.171
128 HB2 ASN 19 HB2 ASN 19 -4.703 -8.737 2.426
129 HB3 ASN 19 HB1 ASN 19 -6.309 -8.906 3.125
130 HD21 ASN 19 HD21 ASN 19 -5.491 -6.493 0.747
131 HD22 ASN 19 HD22 ASN 19 -6.487 -7.117 -0.508
132 H CYS 20 HN CYS 20 -4.578 -4.768 3.968
133 HA CYS 20 HA CYS 20 -3.223 -3.970 1.721
134 HB2 CYS 20 HB2 CYS 20 -2.219 -2.259 3.173
135 HB3 CYS 20 HB1 CYS 20 -3.955 -2.378 3.324
136 H ASN 21 HN ASN 21 -1.816 -5.258 4.723
137 HA ASN 21 HA ASN 21 0.826 -4.938 3.940
138 HB2 ASN 21 HB2 ASN 21 -0.471 -6.767 5.915
139 HB3 ASN 21 HB1 ASN 21 1.264 -6.808 5.654
140 HD21 ASN 21 HD21 ASN 21 1.436 -3.965 5.134
141 HD22 ASN 21 HD22 ASN 21 1.243 -3.200 6.666
142 H LYS 22 HN LYS 22 -1.112 -7.922 3.775
143 HA LYS 22 HA LYS 22 0.981 -9.475 2.744
144 HB2 LYS 22 HB2 LYS 22 -0.643 -11.158 2.284
145 HB3 LYS 22 HB1 LYS 22 -1.107 -10.365 3.779
146 HG2 LYS 22 HG2 LYS 22 -2.742 -9.015 2.499
147 HG3 LYS 22 HG1 LYS 22 -2.303 -9.921 1.061
148 HD2 LYS 22 HD2 LYS 22 -4.244 -10.949 1.850
149 HD3 LYS 22 HD1 LYS 22 -2.934 -12.006 2.357
150 HE2 LYS 22 HE2 LYS 22 -4.252 -9.947 4.123
151 HE3 LYS 22 HE1 LYS 22 -4.698 -11.648 4.084
152 HZ1 LYS 22 HZ1 LYS 22 -2.321 -12.114 4.693
153 HZ2 LYS 22 HZ2 LYS 22 -3.252 -11.375 5.893
154 HZ3 LYS 22 HZ3 LYS 22 -2.149 -10.461 5.002
155 H HIS 23 HN HIS 23 -1.326 -7.368 1.100
156 HA HIS 23 HA HIS 23 -0.926 -8.524 -1.459
157 HB2 HIS 23 HB2 HIS 23 -2.858 -7.025 -0.878
158 HB3 HIS 23 HB1 HIS 23 -1.740 -5.664 -0.932
159 HD1 HIS 23 HD1 HIS 23 -3.362 -8.236 -3.162
160 HD2 HIS 23 HD2 HIS 23 -1.075 -4.774 -3.483
161 HE1 HIS 23 HE1 HIS 23 -3.398 -7.618 -5.599
162 HE2 HIS 23 HE2 HIS 23 -1.875 -5.625 -5.791
163 H CYS 24 HN CYS 24 0.259 -5.363 -0.248
164 HA CYS 24 HA CYS 24 1.985 -4.817 -2.351
165 HB2 CYS 24 HB2 CYS 24 1.935 -4.049 0.513
166 HB3 CYS 24 HB1 CYS 24 3.461 -3.869 -0.331
167 H ARG 25 HN ARG 25 2.406 -6.981 0.354
168 HA ARG 25 HA ARG 25 5.270 -7.067 -0.009
169 HB2 ARG 25 HB2 ARG 25 3.520 -8.486 1.979
170 HB3 ARG 25 HB1 ARG 25 5.267 -8.397 2.024
171 HG2 ARG 25 HG2 ARG 25 3.379 -6.088 2.225
172 HG3 ARG 25 HG1 ARG 25 4.276 -6.812 3.564
173 HD2 ARG 25 HD2 ARG 25 5.652 -5.740 1.139
174 HD3 ARG 25 HD1 ARG 25 5.238 -4.671 2.472
175 HE ARG 25 HE ARG 25 7.312 -6.694 2.381
176 HH11 ARG 25 HH11 ARG 25 5.271 -4.808 4.512
177 HH12 ARG 25 HH12 ARG 25 6.419 -4.794 5.805
178 HH21 ARG 25 HH21 ARG 25 8.814 -6.704 4.095
179 HH22 ARG 25 HH22 ARG 25 8.435 -5.870 5.569
180 H ASN 26 HN ASN 26 2.517 -9.146 -0.712
181 HA ASN 26 HA ASN 26 4.307 -11.427 -1.047
182 HB2 ASN 26 HB2 ASN 26 1.353 -11.078 -1.127
183 HB3 ASN 26 HB1 ASN 26 2.046 -12.440 -1.997
184 HD21 ASN 26 HD21 ASN 26 1.448 -11.023 1.079
185 HD22 ASN 26 HD22 ASN 26 1.891 -12.391 2.042
186 H ASN 27 HN ASN 27 2.245 -9.458 -3.138
187 HA ASN 27 HA ASN 27 3.246 -10.879 -5.460
188 HB2 ASN 27 HB2 ASN 27 1.662 -9.173 -6.648
189 HB3 ASN 27 HB1 ASN 27 0.981 -10.512 -5.724
190 HD21 ASN 27 HD21 ASN 27 0.064 -10.128 -3.732
191 HD22 ASN 27 HD22 ASN 27 -0.339 -8.541 -3.176
192 H GLU 28 HN GLU 28 3.523 -7.613 -4.067
193 HA GLU 28 HA GLU 28 5.342 -6.970 -6.291
194 HB2 GLU 28 HB2 GLU 28 3.265 -5.529 -5.650
195 HB3 GLU 28 HB1 GLU 28 4.297 -4.929 -4.360
196 HG2 GLU 28 HG2 GLU 28 4.352 -3.463 -6.292
197 HG3 GLU 28 HG1 GLU 28 5.932 -4.187 -5.991
198 H HIS 29 HN HIS 29 5.187 -7.433 -2.881
199 HA HIS 29 HA HIS 29 6.717 -7.550 -1.245
200 HB2 HIS 29 HB2 HIS 29 7.882 -8.947 -3.077
201 HB3 HIS 29 HB1 HIS 29 8.916 -7.539 -3.301
202 HD1 HIS 29 HD1 HIS 29 10.113 -6.721 -0.927
203 HD2 HIS 29 HD2 HIS 29 8.780 -10.649 -1.180
204 HE1 HIS 29 HE1 HIS 29 11.296 -7.957 0.907
205 HE2 HIS 29 HE2 HIS 29 10.670 -10.371 0.560
206 H LEU 30 HN LEU 30 5.823 -5.089 -1.431
207 HA LEU 30 HA LEU 30 7.998 -3.227 -1.802
208 HB2 LEU 30 HB2 LEU 30 5.311 -2.653 -0.578
209 HB3 LEU 30 HB1 LEU 30 6.477 -1.485 -1.158
210 HG LEU 30 HG LEU 30 4.672 -3.280 -2.742
211 HD11 LEU 30 HD11 LEU 30 4.108 -1.204 -3.864
212 HD12 LEU 30 HD12 LEU 30 5.306 -0.343 -2.898
213 HD13 LEU 30 HD13 LEU 30 3.887 -1.043 -2.117
214 HD21 LEU 30 HD21 LEU 30 5.885 -2.629 -4.768
215 HD22 LEU 30 HD22 LEU 30 6.872 -3.627 -3.700
216 HD23 LEU 30 HD23 LEU 30 7.134 -1.884 -3.775
217 H LEU 31 HN LEU 31 7.650 -1.425 0.332
218 HA LEU 31 HA LEU 31 9.299 -2.982 2.163
219 HB2 LEU 31 HB2 LEU 31 8.930 -0.011 2.179
220 HB3 LEU 31 HB1 LEU 31 10.245 -0.943 2.874
221 HG LEU 31 HG LEU 31 9.648 -0.504 -0.033
222 HD11 LEU 31 HD11 LEU 31 12.051 0.162 1.659
223 HD12 LEU 31 HD12 LEU 31 10.824 1.306 1.114
224 HD13 LEU 31 HD13 LEU 31 11.866 0.501 -0.062
225 HD21 LEU 31 HD21 LEU 31 10.290 -2.797 0.196
226 HD22 LEU 31 HD22 LEU 31 11.655 -2.363 1.229
227 HD23 LEU 31 HD23 LEU 31 11.651 -1.894 -0.473
228 H SER 32 HN SER 32 6.625 -0.596 2.554
229 HA SER 32 HA SER 32 6.258 -1.683 5.273
230 HB2 SER 32 HB2 SER 32 6.071 0.864 4.616
231 HB3 SER 32 HB1 SER 32 4.453 0.404 4.110
232 HG SER 32 HG SER 32 4.341 1.056 6.231
233 H GLY 33 HN GLY 33 4.911 -1.674 2.154
234 HA2 GLY 33 HA2 GLY 33 3.386 -2.935 1.135
235 HA3 GLY 33 HA1 GLY 33 3.612 -4.104 2.402
236 H ARG 34 HN ARG 34 2.305 -0.959 3.274
237 HA ARG 34 HA ARG 34 -0.164 -2.294 3.967
238 HB2 ARG 34 HB2 ARG 34 1.307 0.104 4.600
239 HB3 ARG 34 HB1 ARG 34 -0.387 0.490 4.398
240 HG2 ARG 34 HG2 ARG 34 -0.953 -1.091 6.156
241 HG3 ARG 34 HG1 ARG 34 0.732 -1.608 6.265
242 HD2 ARG 34 HD2 ARG 34 1.397 0.633 6.951
243 HD3 ARG 34 HD1 ARG 34 -0.272 1.204 6.797
244 HE ARG 34 HE ARG 34 -0.397 -0.893 8.555
245 HH11 ARG 34 HH11 ARG 34 1.456 2.079 8.441
246 HH12 ARG 34 HH12 ARG 34 1.462 2.285 10.163
247 HH21 ARG 34 HH21 ARG 34 -0.355 -0.634 10.825
248 HH22 ARG 34 HH22 ARG 34 0.449 0.741 11.514
249 H CYS 35 HN CYS 35 -0.714 -2.848 1.622
250 HA CYS 35 HA CYS 35 -1.711 -0.590 0.062
251 HB2 CYS 35 HB2 CYS 35 -0.470 -1.845 -1.384
252 HB3 CYS 35 HB1 CYS 35 -0.920 -3.360 -0.613
253 H ARG 36 HN ARG 36 -3.793 0.078 0.397
254 HA ARG 36 HA ARG 36 -5.716 -1.719 -0.702
255 HB2 ARG 36 HB2 ARG 36 -7.392 -1.405 1.216
256 HB3 ARG 36 HB1 ARG 36 -6.160 -2.636 1.367
257 HG2 ARG 36 HG2 ARG 36 -4.842 -0.872 2.654
258 HG3 ARG 36 HG1 ARG 36 -6.374 -0.013 2.766
259 HD2 ARG 36 HD2 ARG 36 -7.370 -2.104 3.703
260 HD3 ARG 36 HD1 ARG 36 -5.765 -2.800 3.775
261 HE ARG 36 HE ARG 36 -5.748 -0.313 5.088
262 HH11 ARG 36 HH11 ARG 36 -7.015 -3.556 5.562
263 HH12 ARG 36 HH12 ARG 36 -7.185 -3.355 7.278
264 HH21 ARG 36 HH21 ARG 36 -5.976 -0.078 7.339
265 HH22 ARG 36 HH22 ARG 36 -6.595 -1.400 8.278
266 H ASP 37 HN ASP 37 -8.056 -0.584 -0.449
267 HA ASP 37 HA ASP 37 -7.594 2.156 -1.446
268 HB2 ASP 37 HB2 ASP 37 -7.971 0.512 -3.260
269 HB3 ASP 37 HB1 ASP 37 -9.518 0.091 -2.541
270 H ASP 38 HN ASP 38 -10.530 0.210 -0.958
271 HA ASP 38 HA ASP 38 -12.060 2.320 0.090
272 HB2 ASP 38 HB2 ASP 38 -13.012 0.245 -0.908
273 HB3 ASP 38 HB1 ASP 38 -12.490 -0.647 0.517
274 H PHE 39 HN PHE 39 -9.892 0.062 1.532
275 HA PHE 39 HA PHE 39 -10.265 1.392 4.131
276 HB2 PHE 39 HB2 PHE 39 -8.736 -1.143 3.651
277 HB3 PHE 39 HB1 PHE 39 -9.356 -0.542 5.176
278 HD1 PHE 39 HD1 PHE 39 -9.939 -2.706 2.385
279 HD2 PHE 39 HD2 PHE 39 -11.894 -0.460 5.448
280 HE1 PHE 39 HE1 PHE 39 -11.976 -4.058 2.097
281 HE2 PHE 39 HE2 PHE 39 -13.919 -1.823 5.160
282 HZ PHE 39 HZ PHE 39 -13.961 -3.623 3.483
283 H ARG 40 HN ARG 40 -7.975 1.729 5.237
284 HA ARG 40 HA ARG 40 -6.240 2.643 3.039
285 HB2 ARG 40 HB2 ARG 40 -7.188 4.211 5.431
286 HB3 ARG 40 HB1 ARG 40 -5.800 4.704 4.473
287 HG2 ARG 40 HG2 ARG 40 -7.520 5.938 3.549
288 HG3 ARG 40 HG1 ARG 40 -7.412 4.550 2.469
289 HD2 ARG 40 HD2 ARG 40 -9.204 3.546 4.110
290 HD3 ARG 40 HD1 ARG 40 -9.507 5.244 4.469
291 HE ARG 40 HE ARG 40 -9.547 4.330 1.678
292 HH11 ARG 40 HH11 ARG 40 -11.246 5.609 4.463
293 HH12 ARG 40 HH12 ARG 40 -12.689 5.979 3.577
294 HH21 ARG 40 HH21 ARG 40 -11.459 4.798 0.507
295 HH22 ARG 40 HH22 ARG 40 -12.817 5.504 1.325
296 H CYS 41 HN CYS 41 -4.269 1.977 3.130
297 HA CYS 41 HA CYS 41 -2.917 1.645 5.711
298 HB2 CYS 41 HB2 CYS 41 -3.482 -0.362 3.672
299 HB3 CYS 41 HB1 CYS 41 -1.814 -0.347 4.167
300 H TRP 42 HN TRP 42 -0.671 2.243 5.726
301 HA TRP 42 HA TRP 42 0.325 3.863 3.531
302 HB2 TRP 42 HB2 TRP 42 1.537 3.088 6.188
303 HB3 TRP 42 HB1 TRP 42 2.317 4.162 5.039
304 HD1 TRP 42 HD1 TRP 42 -0.475 4.053 7.627
305 HE1 TRP 42 HE1 TRP 42 -1.252 6.463 8.106
306 HE3 TRP 42 HE3 TRP 42 2.134 6.481 3.974
307 HZ2 TRP 42 HZ2 TRP 42 -0.813 9.055 7.048
308 HZ3 TRP 42 HZ3 TRP 42 1.906 8.907 3.766
309 HH2 TRP 42 HH2 TRP 42 0.466 10.175 5.278
310 H CYS 43 HN CYS 43 1.089 2.597 1.718
311 HA CYS 43 HA CYS 43 2.995 0.470 2.424
312 HB2 CYS 43 HB2 CYS 43 1.184 -0.071 0.770
313 HB3 CYS 43 HB1 CYS 43 1.955 1.043 -0.359
314 H THR 44 HN THR 44 5.056 0.799 2.364
315 HA THR 44 HA THR 44 6.135 3.266 1.246
316 HB THR 44 HB THR 44 7.605 1.207 2.894
317 HG1 THR 44 HG1 THR 44 5.989 3.383 3.723
318 HG21 THR 44 HG21 THR 44 8.099 4.131 2.353
319 HG22 THR 44 HG22 THR 44 9.055 2.771 1.770
320 HG23 THR 44 HG23 THR 44 9.016 3.146 3.492
321 H ASN 45 HN ASN 45 7.486 3.332 -0.456
322 HA ASN 45 HA ASN 45 9.011 1.008 -1.285
323 HB2 ASN 45 HB2 ASN 45 6.815 0.763 -2.446
324 HB3 ASN 45 HB1 ASN 45 7.064 2.333 -3.194
325 HD21 ASN 45 HD21 ASN 45 8.307 -0.936 -2.964
326 HD22 ASN 45 HD22 ASN 45 9.078 -0.948 -4.513
327 H ARG 46 HN ARG 46 10.267 1.802 -3.460
328 HA ARG 46 HA ARG 46 11.434 4.365 -2.651
329 HB2 ARG 46 HB2 ARG 46 12.580 2.519 -4.735
330 HB3 ARG 46 HB1 ARG 46 13.401 3.762 -3.814
331 HG2 ARG 46 HG2 ARG 46 14.190 1.954 -2.725
332 HG3 ARG 46 HG1 ARG 46 12.706 2.184 -1.797
333 HD2 ARG 46 HD2 ARG 46 11.568 0.548 -3.167
334 HD3 ARG 46 HD1 ARG 46 12.998 0.356 -4.176
335 HE ARG 46 HE ARG 46 13.526 -0.185 -1.417
336 HH11 ARG 46 HH11 ARG 46 12.228 -1.561 -4.368
337 HH12 ARG 46 HH12 ARG 46 12.585 -3.196 -3.913
338 HH21 ARG 46 HH21 ARG 46 14.009 -2.330 -0.826
339 HH22 ARG 46 HH22 ARG 46 13.612 -3.632 -1.898
340 H CYS 47 HN CYS 47 10.864 6.136 -3.752
341 HA CYS 47 HA CYS 47 9.699 5.789 -6.401
342 HB2 CYS 47 HB2 CYS 47 8.912 8.105 -6.189
343 HB3 CYS 47 HB1 CYS 47 8.382 7.119 -4.836
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 13.407 6.172 6.053
2 H2 LYS 1 HT2 LYS 1 14.090 4.724 5.517
3 H3 LYS 1 HT3 LYS 1 13.179 4.751 6.940
4 HA LYS 1 HA LYS 1 11.941 3.788 5.118
5 HB2 LYS 1 HB2 LYS 1 10.655 4.849 6.822
6 HB3 LYS 1 HB1 LYS 1 10.988 6.449 6.182
7 HG2 LYS 1 HG2 LYS 1 9.681 5.820 4.155
8 HG3 LYS 1 HG1 LYS 1 9.250 4.317 4.970
9 HD2 LYS 1 HD2 LYS 1 8.671 7.077 6.040
10 HD3 LYS 1 HD1 LYS 1 7.514 6.079 5.159
11 HE2 LYS 1 HE2 LYS 1 8.860 5.280 7.736
12 HE3 LYS 1 HE1 LYS 1 7.250 5.986 7.624
13 HZ1 LYS 1 HZ1 LYS 1 7.251 3.541 7.797
14 HZ2 LYS 1 HZ2 LYS 1 8.049 3.447 6.311
15 HZ3 LYS 1 HZ3 LYS 1 6.487 4.099 6.390
16 H THR 2 HN THR 2 11.145 3.895 3.094
17 HA THR 2 HA THR 2 12.291 5.928 1.326
18 HB THR 2 HB THR 2 11.922 4.384 -0.502
19 HG1 THR 2 HG1 THR 2 10.149 3.234 0.000
20 HG21 THR 2 HG21 THR 2 13.194 2.998 1.852
21 HG22 THR 2 HG22 THR 2 13.991 4.160 0.791
22 HG23 THR 2 HG23 THR 2 13.457 2.605 0.153
23 H CYS 3 HN CYS 3 10.685 5.910 -0.777
24 HA CYS 3 HA CYS 3 8.750 7.765 -0.124
25 HB2 CYS 3 HB2 CYS 3 8.549 5.889 -2.481
26 HB3 CYS 3 HB1 CYS 3 7.952 7.542 -2.365
27 H GLU 4 HN GLU 4 7.056 7.522 1.120
28 HA GLU 4 HA GLU 4 5.478 5.050 0.936
29 HB2 GLU 4 HB2 GLU 4 6.654 5.049 3.053
30 HB3 GLU 4 HB1 GLU 4 6.138 6.703 3.378
31 HG2 GLU 4 HG2 GLU 4 3.768 5.886 3.393
32 HG3 GLU 4 HG1 GLU 4 4.396 4.240 3.300
33 H ASN 5 HN ASN 5 3.361 5.310 0.611
34 HA ASN 5 HA ASN 5 2.165 7.873 1.346
35 HB2 ASN 5 HB2 ASN 5 0.932 8.070 -0.705
36 HB3 ASN 5 HB1 ASN 5 2.631 7.912 -1.111
37 HD21 ASN 5 HD21 ASN 5 -0.455 6.319 -1.042
38 HD22 ASN 5 HD22 ASN 5 -0.068 5.076 -2.185
39 H LEU 6 HN LEU 6 -0.087 7.762 1.663
40 HA LEU 6 HA LEU 6 -0.968 5.137 2.540
41 HB2 LEU 6 HB2 LEU 6 -1.329 7.564 3.646
42 HB3 LEU 6 HB1 LEU 6 -2.784 7.477 2.674
43 HG LEU 6 HG LEU 6 -1.952 5.573 4.881
44 HD11 LEU 6 HD11 LEU 6 -2.914 7.692 5.633
45 HD12 LEU 6 HD12 LEU 6 -4.009 6.345 5.943
46 HD13 LEU 6 HD13 LEU 6 -4.315 7.437 4.592
47 HD21 LEU 6 HD21 LEU 6 -2.921 4.164 3.323
48 HD22 LEU 6 HD22 LEU 6 -4.113 5.375 2.817
49 HD23 LEU 6 HD23 LEU 6 -4.253 4.602 4.395
50 H SER 7 HN SER 7 -2.280 3.897 1.380
51 HA SER 7 HA SER 7 -2.984 4.862 -1.266
52 HB2 SER 7 HB2 SER 7 -3.401 2.403 -1.654
53 HB3 SER 7 HB1 SER 7 -1.741 2.834 -1.269
54 HG SER 7 HG SER 7 -2.025 2.049 0.791
55 H GLY 8 HN GLY 8 -5.039 4.716 -2.143
56 HA2 GLY 8 HA2 GLY 8 -7.245 3.670 -2.055
57 HA3 GLY 8 HA1 GLY 8 -7.184 3.857 -0.308
58 H THR 9 HN THR 9 -8.427 5.383 0.422
59 HA THR 9 HA THR 9 -9.547 7.440 -1.173
60 HB THR 9 HB THR 9 -10.563 6.548 0.956
61 HG1 THR 9 HG1 THR 9 -10.228 9.286 0.390
62 HG21 THR 9 HG21 THR 9 -9.808 7.482 3.088
63 HG22 THR 9 HG22 THR 9 -8.488 8.313 2.261
64 HG23 THR 9 HG23 THR 9 -8.519 6.551 2.324
65 H PHE 10 HN PHE 10 -6.658 7.081 0.643
66 HA PHE 10 HA PHE 10 -5.950 9.893 0.497
67 HB2 PHE 10 HB2 PHE 10 -4.848 7.470 1.820
68 HB3 PHE 10 HB1 PHE 10 -3.696 8.711 1.352
69 HD1 PHE 10 HD1 PHE 10 -6.867 8.238 3.236
70 HD2 PHE 10 HD2 PHE 10 -3.296 10.486 2.739
71 HE1 PHE 10 HE1 PHE 10 -7.382 9.495 5.289
72 HE2 PHE 10 HE2 PHE 10 -3.799 11.749 4.791
73 HZ PHE 10 HZ PHE 10 -5.844 11.254 6.068
74 H LYS 11 HN LYS 11 -4.578 10.730 -0.985
75 HA LYS 11 HA LYS 11 -3.193 10.897 -2.778
76 HB2 LYS 11 HB2 LYS 11 -2.087 8.450 -1.416
77 HB3 LYS 11 HB1 LYS 11 -1.296 9.213 -2.786
78 HG2 LYS 11 HG2 LYS 11 -0.259 9.962 -0.758
79 HG3 LYS 11 HG1 LYS 11 -1.123 11.308 -1.483
80 HD2 LYS 11 HD2 LYS 11 -3.016 10.715 0.098
81 HD3 LYS 11 HD1 LYS 11 -1.875 9.681 0.949
82 HE2 LYS 11 HE2 LYS 11 -1.959 11.821 2.046
83 HE3 LYS 11 HE1 LYS 11 -0.400 11.657 1.244
84 HZ1 LYS 11 HZ1 LYS 11 -2.717 13.150 0.136
85 HZ2 LYS 11 HZ2 LYS 11 -1.164 13.065 -0.530
86 HZ3 LYS 11 HZ3 LYS 11 -1.409 13.858 0.941
87 H GLY 12 HN GLY 12 -2.224 7.877 -3.506
88 HA2 GLY 12 HA2 GLY 12 -4.168 7.661 -5.683
89 HA3 GLY 12 HA1 GLY 12 -2.627 6.829 -5.606
90 HA PRO 13 HA PRO 13 -6.288 4.368 -3.600
91 HB2 PRO 13 HB2 PRO 13 -7.860 3.602 -5.665
92 HB3 PRO 13 HB1 PRO 13 -8.144 5.090 -4.754
93 HG2 PRO 13 HG2 PRO 13 -6.812 4.716 -7.407
94 HG3 PRO 13 HG1 PRO 13 -7.960 5.969 -6.898
95 HD2 PRO 13 HD2 PRO 13 -5.268 6.363 -7.026
96 HD3 PRO 13 HD1 PRO 13 -6.318 7.225 -5.888
97 H CYS 14 HN CYS 14 -6.056 2.167 -3.390
98 HA CYS 14 HA CYS 14 -4.380 0.885 -5.437
99 HB2 CYS 14 HB2 CYS 14 -3.567 1.256 -2.980
100 HB3 CYS 14 HB1 CYS 14 -4.558 -0.152 -2.634
101 H ILE 15 HN ILE 15 -6.089 -0.814 -2.834
102 HA ILE 15 HA ILE 15 -8.024 -1.878 -4.739
103 HB ILE 15 HB ILE 15 -7.548 -4.203 -4.141
104 HG12 ILE 15 HG12 ILE 15 -5.156 -3.020 -2.703
105 HG13 ILE 15 HG11 ILE 15 -6.507 -3.890 -1.982
106 HG21 ILE 15 HG21 ILE 15 -5.183 -2.760 -5.328
107 HG22 ILE 15 HG22 ILE 15 -6.608 -3.330 -6.196
108 HG23 ILE 15 HG23 ILE 15 -5.500 -4.489 -5.464
109 HD11 ILE 15 HD11 ILE 15 -4.519 -5.278 -2.143
110 HD12 ILE 15 HD12 ILE 15 -4.516 -5.072 -3.894
111 HD13 ILE 15 HD13 ILE 15 -5.847 -5.923 -3.110
112 HA PRO 16 HA PRO 16 -10.364 -1.556 -1.019
113 HB2 PRO 16 HB2 PRO 16 -12.761 -2.293 -1.999
114 HB3 PRO 16 HB1 PRO 16 -11.988 -0.770 -2.445
115 HG2 PRO 16 HG2 PRO 16 -12.303 -3.256 -4.017
116 HG3 PRO 16 HG1 PRO 16 -12.149 -1.583 -4.572
117 HD2 PRO 16 HD2 PRO 16 -10.119 -3.568 -4.484
118 HD3 PRO 16 HD1 PRO 16 -9.927 -1.857 -4.894
119 H ASP 17 HN ASP 17 -8.863 -4.033 -1.299
120 HA ASP 17 HA ASP 17 -10.795 -6.088 -0.528
121 HB2 ASP 17 HB2 ASP 17 -7.888 -6.267 -1.304
122 HB3 ASP 17 HB1 ASP 17 -8.822 -7.640 -0.727
123 H GLY 18 HN GLY 18 -8.421 -4.029 0.872
124 HA2 GLY 18 HA2 GLY 18 -7.963 -3.657 3.095
125 HA3 GLY 18 HA1 GLY 18 -9.219 -4.810 3.493
126 H ASN 19 HN ASN 19 -6.252 -5.253 1.662
127 HA ASN 19 HA ASN 19 -5.346 -7.303 3.545
128 HB2 ASN 19 HB2 ASN 19 -4.723 -8.695 1.631
129 HB3 ASN 19 HB1 ASN 19 -6.451 -8.364 1.597
130 HD21 ASN 19 HD21 ASN 19 -6.524 -5.859 0.515
131 HD22 ASN 19 HD22 ASN 19 -5.874 -5.853 -1.072
132 H CYS 20 HN CYS 20 -4.567 -4.596 3.326
133 HA CYS 20 HA CYS 20 -2.923 -3.828 1.360
134 HB2 CYS 20 HB2 CYS 20 -2.042 -2.123 2.863
135 HB3 CYS 20 HB1 CYS 20 -3.774 -2.270 2.969
136 H ASN 21 HN ASN 21 -1.844 -5.385 4.356
137 HA ASN 21 HA ASN 21 0.879 -5.014 3.821
138 HB2 ASN 21 HB2 ASN 21 -0.594 -6.898 5.618
139 HB3 ASN 21 HB1 ASN 21 1.154 -6.990 5.455
140 HD21 ASN 21 HD21 ASN 21 1.367 -4.094 5.041
141 HD22 ASN 21 HD22 ASN 21 1.141 -3.403 6.606
142 H LYS 22 HN LYS 22 -1.085 -7.946 3.413
143 HA LYS 22 HA LYS 22 1.092 -9.367 2.337
144 HB2 LYS 22 HB2 LYS 22 -0.487 -11.114 1.823
145 HB3 LYS 22 HB1 LYS 22 -0.809 -10.466 3.419
146 HG2 LYS 22 HG2 LYS 22 -2.680 -9.126 2.437
147 HG3 LYS 22 HG1 LYS 22 -2.350 -9.927 0.895
148 HD2 LYS 22 HD2 LYS 22 -2.654 -12.127 2.074
149 HD3 LYS 22 HD1 LYS 22 -3.229 -11.216 3.469
150 HE2 LYS 22 HE2 LYS 22 -5.048 -12.091 2.047
151 HE3 LYS 22 HE1 LYS 22 -5.071 -10.338 2.206
152 HZ1 LYS 22 HZ1 LYS 22 -3.934 -11.826 -0.104
153 HZ2 LYS 22 HZ2 LYS 22 -4.070 -10.147 0.030
154 HZ3 LYS 22 HZ3 LYS 22 -5.460 -11.098 -0.082
155 H HIS 23 HN HIS 23 -1.348 -7.338 0.786
156 HA HIS 23 HA HIS 23 -0.920 -8.341 -1.821
157 HB2 HIS 23 HB2 HIS 23 -2.825 -6.846 -1.234
158 HB3 HIS 23 HB1 HIS 23 -1.689 -5.503 -1.126
159 HD1 HIS 23 HD1 HIS 23 -3.133 -7.923 -3.652
160 HD2 HIS 23 HD2 HIS 23 -1.004 -4.351 -3.535
161 HE1 HIS 23 HE1 HIS 23 -3.068 -7.094 -6.023
162 HE2 HIS 23 HE2 HIS 23 -1.614 -5.044 -5.950
163 H CYS 24 HN CYS 24 0.495 -5.473 -0.229
164 HA CYS 24 HA CYS 24 2.293 -4.881 -2.324
165 HB2 CYS 24 HB2 CYS 24 2.197 -4.206 0.594
166 HB3 CYS 24 HB1 CYS 24 3.646 -3.854 -0.326
167 H ARG 25 HN ARG 25 2.579 -6.884 0.591
168 HA ARG 25 HA ARG 25 5.446 -6.996 0.291
169 HB2 ARG 25 HB2 ARG 25 3.653 -8.293 2.336
170 HB3 ARG 25 HB1 ARG 25 5.398 -8.142 2.440
171 HG2 ARG 25 HG2 ARG 25 3.508 -5.822 2.282
172 HG3 ARG 25 HG1 ARG 25 4.160 -6.472 3.787
173 HD2 ARG 25 HD2 ARG 25 6.191 -5.916 1.771
174 HD3 ARG 25 HD1 ARG 25 5.310 -4.471 2.271
175 HE ARG 25 HE ARG 25 6.094 -4.787 4.477
176 HH11 ARG 25 HH11 ARG 25 7.388 -7.186 2.280
177 HH12 ARG 25 HH12 ARG 25 8.651 -7.669 3.355
178 HH21 ARG 25 HH21 ARG 25 7.745 -5.433 5.896
179 HH22 ARG 25 HH22 ARG 25 8.854 -6.677 5.416
180 H ASN 26 HN ASN 26 2.742 -9.194 -0.195
181 HA ASN 26 HA ASN 26 4.469 -11.469 -0.602
182 HB2 ASN 26 HB2 ASN 26 1.543 -11.086 -1.252
183 HB3 ASN 26 HB1 ASN 26 2.409 -12.591 -1.430
184 HD21 ASN 26 HD21 ASN 26 3.914 -11.875 1.103
185 HD22 ASN 26 HD22 ASN 26 2.807 -12.271 2.373
186 H ASN 27 HN ASN 27 2.732 -9.151 -2.600
187 HA ASN 27 HA ASN 27 3.336 -10.628 -5.009
188 HB2 ASN 27 HB2 ASN 27 1.899 -8.003 -4.597
189 HB3 ASN 27 HB1 ASN 27 2.062 -8.827 -6.144
190 HD21 ASN 27 HD21 ASN 27 0.593 -8.917 -2.978
191 HD22 ASN 27 HD22 ASN 27 -0.624 -10.086 -3.374
192 H GLU 28 HN GLU 28 4.095 -7.377 -3.741
193 HA GLU 28 HA GLU 28 6.120 -7.186 -5.860
194 HB2 GLU 28 HB2 GLU 28 4.212 -5.511 -5.763
195 HB3 GLU 28 HB1 GLU 28 4.957 -4.868 -4.300
196 HG2 GLU 28 HG2 GLU 28 5.619 -3.528 -6.156
197 HG3 GLU 28 HG1 GLU 28 7.020 -4.452 -5.611
198 H HIS 29 HN HIS 29 5.616 -7.197 -2.459
199 HA HIS 29 HA HIS 29 7.027 -7.679 -0.779
200 HB2 HIS 29 HB2 HIS 29 8.215 -9.037 -2.574
201 HB3 HIS 29 HB1 HIS 29 9.316 -7.676 -2.746
202 HD1 HIS 29 HD1 HIS 29 8.119 -10.059 -0.041
203 HD2 HIS 29 HD2 HIS 29 11.436 -7.766 -1.049
204 HE1 HIS 29 HE1 HIS 29 9.877 -10.623 1.664
205 HE2 HIS 29 HE2 HIS 29 11.926 -9.367 0.919
206 H LEU 30 HN LEU 30 6.316 -5.033 -1.303
207 HA LEU 30 HA LEU 30 8.477 -3.278 -1.249
208 HB2 LEU 30 HB2 LEU 30 5.642 -2.929 -0.326
209 HB3 LEU 30 HB1 LEU 30 6.832 -1.646 -0.253
210 HG LEU 30 HG LEU 30 7.184 -1.954 -2.699
211 HD11 LEU 30 HD11 LEU 30 5.450 -3.105 -3.913
212 HD12 LEU 30 HD12 LEU 30 4.781 -3.650 -2.370
213 HD13 LEU 30 HD13 LEU 30 6.402 -4.148 -2.854
214 HD21 LEU 30 HD21 LEU 30 5.256 -0.714 -3.392
215 HD22 LEU 30 HD22 LEU 30 5.715 -0.152 -1.780
216 HD23 LEU 30 HD23 LEU 30 4.350 -1.252 -1.980
217 H LEU 31 HN LEU 31 8.171 -1.575 0.780
218 HA LEU 31 HA LEU 31 9.596 -3.089 2.819
219 HB2 LEU 31 HB2 LEU 31 9.301 -0.097 2.795
220 HB3 LEU 31 HB1 LEU 31 10.578 -1.078 3.495
221 HG LEU 31 HG LEU 31 10.078 -0.606 0.564
222 HD11 LEU 31 HD11 LEU 31 11.182 1.231 1.749
223 HD12 LEU 31 HD12 LEU 31 12.265 0.447 0.598
224 HD13 LEU 31 HD13 LEU 31 12.417 0.111 2.324
225 HD21 LEU 31 HD21 LEU 31 10.758 -2.888 0.835
226 HD22 LEU 31 HD22 LEU 31 12.077 -2.414 1.910
227 HD23 LEU 31 HD23 LEU 31 12.119 -1.957 0.206
228 H SER 32 HN SER 32 6.927 -0.695 2.750
229 HA SER 32 HA SER 32 6.267 -1.548 5.499
230 HB2 SER 32 HB2 SER 32 5.526 0.792 3.803
231 HB3 SER 32 HB1 SER 32 4.522 0.347 5.168
232 HG SER 32 HG SER 32 6.693 1.794 5.203
233 H GLY 33 HN GLY 33 4.965 -1.413 2.314
234 HA2 GLY 33 HA2 GLY 33 3.511 -2.773 1.233
235 HA3 GLY 33 HA1 GLY 33 3.722 -3.913 2.536
236 H ARG 34 HN ARG 34 2.237 -0.676 2.807
237 HA ARG 34 HA ARG 34 -0.203 -2.095 3.566
238 HB2 ARG 34 HB2 ARG 34 1.237 0.261 4.385
239 HB3 ARG 34 HB1 ARG 34 -0.451 0.657 4.118
240 HG2 ARG 34 HG2 ARG 34 -1.041 -1.181 5.697
241 HG3 ARG 34 HG1 ARG 34 0.686 -1.429 5.981
242 HD2 ARG 34 HD2 ARG 34 0.930 0.780 6.865
243 HD3 ARG 34 HD1 ARG 34 -0.717 1.221 6.389
244 HE ARG 34 HE ARG 34 -1.409 -0.553 8.061
245 HH11 ARG 34 HH11 ARG 34 1.607 1.204 8.370
246 HH12 ARG 34 HH12 ARG 34 1.624 1.113 10.099
247 HH21 ARG 34 HH21 ARG 34 -1.398 -0.658 10.331
248 HH22 ARG 34 HH22 ARG 34 -0.091 0.059 11.219
249 H CYS 35 HN CYS 35 -0.704 -2.509 1.162
250 HA CYS 35 HA CYS 35 -1.799 -0.155 -0.193
251 HB2 CYS 35 HB2 CYS 35 -0.667 -1.227 -1.842
252 HB3 CYS 35 HB1 CYS 35 -0.891 -2.809 -1.106
253 H ARG 36 HN ARG 36 -3.909 0.426 0.060
254 HA ARG 36 HA ARG 36 -5.873 -1.594 -0.646
255 HB2 ARG 36 HB2 ARG 36 -6.772 0.095 1.642
256 HB3 ARG 36 HB1 ARG 36 -7.328 -1.477 1.113
257 HG2 ARG 36 HG2 ARG 36 -5.370 -2.517 2.058
258 HG3 ARG 36 HG1 ARG 36 -4.792 -0.926 2.569
259 HD2 ARG 36 HD2 ARG 36 -6.600 -0.650 4.067
260 HD3 ARG 36 HD1 ARG 36 -7.426 -2.055 3.410
261 HE ARG 36 HE ARG 36 -4.863 -2.606 4.613
262 HH11 ARG 36 HH11 ARG 36 -8.304 -2.302 5.161
263 HH12 ARG 36 HH12 ARG 36 -8.310 -3.342 6.542
264 HH21 ARG 36 HH21 ARG 36 -4.859 -3.970 6.445
265 HH22 ARG 36 HH22 ARG 36 -6.346 -4.273 7.285
266 H ASP 37 HN ASP 37 -8.090 -0.554 -0.671
267 HA ASP 37 HA ASP 37 -8.120 2.335 -1.047
268 HB2 ASP 37 HB2 ASP 37 -8.084 1.278 -3.320
269 HB3 ASP 37 HB1 ASP 37 -9.524 0.367 -2.885
270 H ASP 38 HN ASP 38 -10.324 3.159 -0.637
271 HA ASP 38 HA ASP 38 -12.118 3.358 0.748
272 HB2 ASP 38 HB2 ASP 38 -12.925 1.210 -0.300
273 HB3 ASP 38 HB1 ASP 38 -12.148 0.342 1.027
274 H PHE 39 HN PHE 39 -9.952 0.797 1.831
275 HA PHE 39 HA PHE 39 -10.052 1.794 4.581
276 HB2 PHE 39 HB2 PHE 39 -8.423 -0.529 3.634
277 HB3 PHE 39 HB1 PHE 39 -9.125 -0.263 5.218
278 HD1 PHE 39 HD1 PHE 39 -11.705 -0.331 5.348
279 HD2 PHE 39 HD2 PHE 39 -9.439 -1.941 2.117
280 HE1 PHE 39 HE1 PHE 39 -13.608 -1.765 4.735
281 HE2 PHE 39 HE2 PHE 39 -11.345 -3.370 1.499
282 HZ PHE 39 HZ PHE 39 -13.428 -3.285 2.808
283 H ARG 40 HN ARG 40 -7.677 1.822 5.643
284 HA ARG 40 HA ARG 40 -6.104 3.391 3.701
285 HB2 ARG 40 HB2 ARG 40 -6.853 4.029 6.546
286 HB3 ARG 40 HB1 ARG 40 -5.489 4.805 5.763
287 HG2 ARG 40 HG2 ARG 40 -6.914 5.786 4.109
288 HG3 ARG 40 HG1 ARG 40 -8.303 4.869 4.700
289 HD2 ARG 40 HD2 ARG 40 -6.773 6.865 6.360
290 HD3 ARG 40 HD1 ARG 40 -8.227 7.259 5.443
291 HE ARG 40 HE ARG 40 -9.050 5.182 6.928
292 HH11 ARG 40 HH11 ARG 40 -7.272 8.064 7.821
293 HH12 ARG 40 HH12 ARG 40 -8.002 8.179 9.386
294 HH21 ARG 40 HH21 ARG 40 -9.994 5.318 8.987
295 HH22 ARG 40 HH22 ARG 40 -9.544 6.606 10.059
296 H CYS 41 HN CYS 41 -4.272 2.430 3.346
297 HA CYS 41 HA CYS 41 -2.624 1.669 5.626
298 HB2 CYS 41 HB2 CYS 41 -3.506 -0.010 3.362
299 HB3 CYS 41 HB1 CYS 41 -1.853 -0.227 3.875
300 H TRP 42 HN TRP 42 -0.488 2.457 5.504
301 HA TRP 42 HA TRP 42 0.364 3.966 3.161
302 HB2 TRP 42 HB2 TRP 42 1.751 3.456 5.801
303 HB3 TRP 42 HB1 TRP 42 2.327 4.553 4.557
304 HD1 TRP 42 HD1 TRP 42 -0.486 4.202 7.153
305 HE1 TRP 42 HE1 TRP 42 -1.440 6.542 7.637
306 HE3 TRP 42 HE3 TRP 42 2.111 6.870 3.657
307 HZ2 TRP 42 HZ2 TRP 42 -1.125 9.175 6.655
308 HZ3 TRP 42 HZ3 TRP 42 1.731 9.280 3.490
309 HH2 TRP 42 HH2 TRP 42 0.141 10.416 4.948
310 H CYS 43 HN CYS 43 1.278 2.754 1.441
311 HA CYS 43 HA CYS 43 3.082 0.576 2.248
312 HB2 CYS 43 HB2 CYS 43 1.260 0.092 0.549
313 HB3 CYS 43 HB1 CYS 43 2.177 1.072 -0.598
314 H THR 44 HN THR 44 5.187 0.640 1.977
315 HA THR 44 HA THR 44 6.350 3.133 0.940
316 HB THR 44 HB THR 44 7.529 1.214 2.955
317 HG1 THR 44 HG1 THR 44 5.843 3.414 3.227
318 HG21 THR 44 HG21 THR 44 9.104 3.035 3.412
319 HG22 THR 44 HG22 THR 44 8.371 3.988 2.119
320 HG23 THR 44 HG23 THR 44 9.209 2.484 1.740
321 H ASN 45 HN ASN 45 7.634 3.021 -0.759
322 HA ASN 45 HA ASN 45 9.516 0.843 -1.074
323 HB2 ASN 45 HB2 ASN 45 7.411 0.189 -2.363
324 HB3 ASN 45 HB1 ASN 45 7.754 1.541 -3.430
325 HD21 ASN 45 HD21 ASN 45 8.924 -1.541 -2.252
326 HD22 ASN 45 HD22 ASN 45 9.961 -1.875 -3.591
327 H ARG 46 HN ARG 46 10.647 1.541 -3.489
328 HA ARG 46 HA ARG 46 11.567 4.255 -2.865
329 HB2 ARG 46 HB2 ARG 46 12.881 2.425 -4.858
330 HB3 ARG 46 HB1 ARG 46 13.588 3.752 -3.956
331 HG2 ARG 46 HG2 ARG 46 14.489 2.042 -2.787
332 HG3 ARG 46 HG1 ARG 46 12.965 2.173 -1.910
333 HD2 ARG 46 HD2 ARG 46 12.006 0.427 -3.318
334 HD3 ARG 46 HD1 ARG 46 13.523 0.295 -4.201
335 HE ARG 46 HE ARG 46 13.983 -0.086 -1.444
336 HH11 ARG 46 HH11 ARG 46 12.598 -1.682 -4.234
337 HH12 ARG 46 HH12 ARG 46 12.887 -3.278 -3.627
338 HH21 ARG 46 HH21 ARG 46 14.380 -2.183 -0.641
339 HH22 ARG 46 HH22 ARG 46 13.916 -3.564 -1.582
340 H CYS 47 HN CYS 47 10.807 5.878 -4.072
341 HA CYS 47 HA CYS 47 9.360 5.208 -6.497
342 HB2 CYS 47 HB2 CYS 47 8.543 7.551 -6.388
343 HB3 CYS 47 HB1 CYS 47 8.193 6.626 -4.935
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 13.164 6.711 7.143
2 H2 LYS 1 HT2 LYS 1 12.874 7.751 5.842
3 H3 LYS 1 HT3 LYS 1 14.230 6.743 5.832
4 HA LYS 1 HA LYS 1 12.883 4.803 5.688
5 HB2 LYS 1 HB2 LYS 1 10.486 4.899 5.541
6 HB3 LYS 1 HB1 LYS 1 10.976 5.748 6.999
7 HG2 LYS 1 HG2 LYS 1 10.657 7.874 5.917
8 HG3 LYS 1 HG1 LYS 1 10.284 7.073 4.391
9 HD2 LYS 1 HD2 LYS 1 8.361 5.962 5.560
10 HD3 LYS 1 HD1 LYS 1 8.686 7.006 6.944
11 HE2 LYS 1 HE2 LYS 1 8.023 7.938 4.154
12 HE3 LYS 1 HE1 LYS 1 6.900 7.889 5.510
13 HZ1 LYS 1 HZ1 LYS 1 7.773 10.100 5.202
14 HZ2 LYS 1 HZ2 LYS 1 9.361 9.539 5.344
15 HZ3 LYS 1 HZ3 LYS 1 8.319 9.475 6.675
16 H THR 2 HN THR 2 11.225 4.424 3.660
17 HA THR 2 HA THR 2 12.536 5.790 1.424
18 HB THR 2 HB THR 2 11.324 3.858 0.172
19 HG1 THR 2 HG1 THR 2 11.784 2.387 2.487
20 HG21 THR 2 HG21 THR 2 13.741 4.126 0.292
21 HG22 THR 2 HG22 THR 2 13.297 2.434 0.510
22 HG23 THR 2 HG23 THR 2 13.751 3.413 1.904
23 H CYS 3 HN CYS 3 10.937 5.771 -0.582
24 HA CYS 3 HA CYS 3 9.069 7.784 -0.118
25 HB2 CYS 3 HB2 CYS 3 8.990 5.777 -2.381
26 HB3 CYS 3 HB1 CYS 3 8.307 7.399 -2.379
27 H GLU 4 HN GLU 4 7.287 7.657 1.041
28 HA GLU 4 HA GLU 4 5.745 5.154 1.003
29 HB2 GLU 4 HB2 GLU 4 6.964 5.388 3.124
30 HB3 GLU 4 HB1 GLU 4 6.265 6.981 3.353
31 HG2 GLU 4 HG2 GLU 4 4.018 5.944 3.451
32 HG3 GLU 4 HG1 GLU 4 4.783 4.351 3.358
33 H ASN 5 HN ASN 5 3.595 5.352 0.769
34 HA ASN 5 HA ASN 5 2.377 7.908 1.397
35 HB2 ASN 5 HB2 ASN 5 1.166 8.125 -0.636
36 HB3 ASN 5 HB1 ASN 5 2.847 7.904 -1.077
37 HD21 ASN 5 HD21 ASN 5 -0.290 6.395 -0.898
38 HD22 ASN 5 HD22 ASN 5 0.027 5.152 -2.065
39 H LEU 6 HN LEU 6 0.161 7.777 1.724
40 HA LEU 6 HA LEU 6 -0.718 5.173 2.651
41 HB2 LEU 6 HB2 LEU 6 -1.033 7.702 3.631
42 HB3 LEU 6 HB1 LEU 6 -2.555 7.473 2.794
43 HG LEU 6 HG LEU 6 -1.436 5.730 5.036
44 HD11 LEU 6 HD11 LEU 6 -3.382 6.571 6.272
45 HD12 LEU 6 HD12 LEU 6 -3.841 7.581 4.903
46 HD13 LEU 6 HD13 LEU 6 -2.338 7.899 5.768
47 HD21 LEU 6 HD21 LEU 6 -2.586 4.205 3.796
48 HD22 LEU 6 HD22 LEU 6 -3.751 5.400 3.188
49 HD23 LEU 6 HD23 LEU 6 -3.857 4.834 4.856
50 H SER 7 HN SER 7 -2.098 3.930 1.503
51 HA SER 7 HA SER 7 -2.727 4.844 -1.175
52 HB2 SER 7 HB2 SER 7 -3.023 2.102 0.062
53 HB3 SER 7 HB1 SER 7 -3.080 2.498 -1.650
54 HG SER 7 HG SER 7 -0.917 3.050 -1.578
55 H GLY 8 HN GLY 8 -4.766 4.523 -2.143
56 HA2 GLY 8 HA2 GLY 8 -7.022 3.661 -2.017
57 HA3 GLY 8 HA1 GLY 8 -7.022 4.042 -0.300
58 H THR 9 HN THR 9 -8.176 5.753 0.202
59 HA THR 9 HA THR 9 -9.043 7.693 -1.664
60 HB THR 9 HB THR 9 -10.202 7.280 0.503
61 HG1 THR 9 HG1 THR 9 -9.986 9.503 -0.724
62 HG21 THR 9 HG21 THR 9 -9.336 8.268 2.562
63 HG22 THR 9 HG22 THR 9 -7.867 8.760 1.717
64 HG23 THR 9 HG23 THR 9 -8.226 7.047 1.937
65 H PHE 10 HN PHE 10 -6.257 7.321 0.340
66 HA PHE 10 HA PHE 10 -5.222 9.968 -0.260
67 HB2 PHE 10 HB2 PHE 10 -4.318 7.704 1.499
68 HB3 PHE 10 HB1 PHE 10 -3.250 9.047 1.121
69 HD1 PHE 10 HD1 PHE 10 -4.063 11.380 1.663
70 HD2 PHE 10 HD2 PHE 10 -5.832 7.857 3.243
71 HE1 PHE 10 HE1 PHE 10 -5.057 12.707 3.489
72 HE2 PHE 10 HE2 PHE 10 -6.832 9.169 5.075
73 HZ PHE 10 HZ PHE 10 -6.443 11.600 5.197
74 H LYS 11 HN LYS 11 -3.739 10.377 -1.762
75 HA LYS 11 HA LYS 11 -2.011 10.176 -3.204
76 HB2 LYS 11 HB2 LYS 11 -1.218 8.196 -1.079
77 HB3 LYS 11 HB1 LYS 11 -0.143 8.691 -2.374
78 HG2 LYS 11 HG2 LYS 11 0.484 10.035 -0.596
79 HG3 LYS 11 HG1 LYS 11 -0.559 11.084 -1.541
80 HD2 LYS 11 HD2 LYS 11 -2.410 10.535 -0.006
81 HD3 LYS 11 HD1 LYS 11 -1.301 9.574 0.980
82 HE2 LYS 11 HE2 LYS 11 -1.662 11.844 1.876
83 HE3 LYS 11 HE1 LYS 11 0.020 11.536 1.457
84 HZ1 LYS 11 HZ1 LYS 11 -1.906 13.014 -0.250
85 HZ2 LYS 11 HZ2 LYS 11 -0.260 12.787 -0.561
86 HZ3 LYS 11 HZ3 LYS 11 -0.749 13.736 0.749
87 H GLY 12 HN GLY 12 -4.284 8.343 -3.852
88 HA2 GLY 12 HA2 GLY 12 -4.349 7.166 -5.943
89 HA3 GLY 12 HA1 GLY 12 -2.716 6.603 -5.638
90 HA PRO 13 HA PRO 13 -6.214 3.846 -3.717
91 HB2 PRO 13 HB2 PRO 13 -7.510 2.690 -5.775
92 HB3 PRO 13 HB1 PRO 13 -8.004 4.250 -5.105
93 HG2 PRO 13 HG2 PRO 13 -6.387 3.665 -7.553
94 HG3 PRO 13 HG1 PRO 13 -7.698 4.837 -7.335
95 HD2 PRO 13 HD2 PRO 13 -5.059 5.506 -7.273
96 HD3 PRO 13 HD1 PRO 13 -6.308 6.392 -6.376
97 H CYS 14 HN CYS 14 -6.168 1.579 -3.483
98 HA CYS 14 HA CYS 14 -4.286 0.152 -5.219
99 HB2 CYS 14 HB2 CYS 14 -2.988 0.322 -3.301
100 HB3 CYS 14 HB1 CYS 14 -4.375 0.206 -2.219
101 H ILE 15 HN ILE 15 -6.319 -1.055 -2.510
102 HA ILE 15 HA ILE 15 -8.009 -2.483 -4.411
103 HB ILE 15 HB ILE 15 -7.621 -4.666 -3.323
104 HG12 ILE 15 HG12 ILE 15 -5.310 -3.225 -1.998
105 HG13 ILE 15 HG11 ILE 15 -6.736 -3.882 -1.198
106 HG21 ILE 15 HG21 ILE 15 -5.168 -3.460 -4.590
107 HG22 ILE 15 HG22 ILE 15 -6.533 -4.187 -5.436
108 HG23 ILE 15 HG23 ILE 15 -5.494 -5.185 -4.420
109 HD11 ILE 15 HD11 ILE 15 -4.633 -5.467 -2.639
110 HD12 ILE 15 HD12 ILE 15 -6.070 -6.129 -1.863
111 HD13 ILE 15 HD13 ILE 15 -4.834 -5.331 -0.893
112 HA PRO 16 HA PRO 16 -10.887 -1.746 -1.165
113 HB2 PRO 16 HB2 PRO 16 -12.989 -3.132 -2.089
114 HB3 PRO 16 HB1 PRO 16 -12.392 -1.685 -2.905
115 HG2 PRO 16 HG2 PRO 16 -12.011 -4.552 -3.613
116 HG3 PRO 16 HG1 PRO 16 -12.243 -3.154 -4.675
117 HD2 PRO 16 HD2 PRO 16 -9.802 -4.352 -4.084
118 HD3 PRO 16 HD1 PRO 16 -10.009 -2.722 -4.747
119 H ASP 17 HN ASP 17 -9.415 -4.719 -1.518
120 HA ASP 17 HA ASP 17 -11.125 -6.311 0.128
121 HB2 ASP 17 HB2 ASP 17 -8.321 -6.693 -0.895
122 HB3 ASP 17 HB1 ASP 17 -9.112 -7.875 0.142
123 H GLY 18 HN GLY 18 -8.535 -4.103 0.773
124 HA2 GLY 18 HA2 GLY 18 -8.132 -3.053 2.785
125 HA3 GLY 18 HA1 GLY 18 -9.262 -4.148 3.561
126 H ASN 19 HN ASN 19 -7.120 -5.951 1.921
127 HA ASN 19 HA ASN 19 -5.533 -6.550 4.273
128 HB2 ASN 19 HB2 ASN 19 -4.706 -8.377 2.531
129 HB3 ASN 19 HB1 ASN 19 -6.244 -8.551 3.369
130 HD21 ASN 19 HD21 ASN 19 -5.677 -6.235 0.828
131 HD22 ASN 19 HD22 ASN 19 -6.773 -6.927 -0.303
132 H CYS 20 HN CYS 20 -4.677 -4.296 3.839
133 HA CYS 20 HA CYS 20 -3.272 -3.552 1.613
134 HB2 CYS 20 HB2 CYS 20 -2.124 -1.945 3.172
135 HB3 CYS 20 HB1 CYS 20 -3.879 -1.892 3.180
136 H ASN 21 HN ASN 21 -2.083 -5.235 4.480
137 HA ASN 21 HA ASN 21 0.628 -4.743 3.919
138 HB2 ASN 21 HB2 ASN 21 -0.682 -5.637 6.100
139 HB3 ASN 21 HB1 ASN 21 -0.001 -7.150 5.506
140 HD21 ASN 21 HD21 ASN 21 1.474 -4.007 5.048
141 HD22 ASN 21 HD22 ASN 21 2.836 -4.287 6.080
142 H LYS 22 HN LYS 22 -1.243 -7.749 3.578
143 HA LYS 22 HA LYS 22 0.903 -9.168 2.457
144 HB2 LYS 22 HB2 LYS 22 -1.266 -10.504 1.480
145 HB3 LYS 22 HB1 LYS 22 -0.557 -10.752 3.068
146 HG2 LYS 22 HG2 LYS 22 -2.194 -9.332 4.086
147 HG3 LYS 22 HG1 LYS 22 -2.833 -8.849 2.510
148 HD2 LYS 22 HD2 LYS 22 -3.828 -10.907 2.148
149 HD3 LYS 22 HD1 LYS 22 -2.753 -11.739 3.272
150 HE2 LYS 22 HE2 LYS 22 -4.798 -9.716 4.150
151 HE3 LYS 22 HE1 LYS 22 -5.146 -11.440 4.031
152 HZ1 LYS 22 HZ1 LYS 22 -3.407 -11.879 5.628
153 HZ2 LYS 22 HZ2 LYS 22 -4.516 -10.780 6.279
154 HZ3 LYS 22 HZ3 LYS 22 -3.017 -10.235 5.717
155 H HIS 23 HN HIS 23 -1.559 -7.140 0.914
156 HA HIS 23 HA HIS 23 -1.159 -8.122 -1.692
157 HB2 HIS 23 HB2 HIS 23 -3.031 -6.601 -1.078
158 HB3 HIS 23 HB1 HIS 23 -1.874 -5.275 -0.977
159 HD1 HIS 23 HD1 HIS 23 -1.560 -3.987 -3.087
160 HD2 HIS 23 HD2 HIS 23 -3.036 -7.802 -3.807
161 HE1 HIS 23 HE1 HIS 23 -1.979 -4.093 -5.557
162 HE2 HIS 23 HE2 HIS 23 -2.684 -6.468 -5.991
163 H CYS 24 HN CYS 24 0.323 -5.287 -0.102
164 HA CYS 24 HA CYS 24 2.018 -4.693 -2.286
165 HB2 CYS 24 HB2 CYS 24 1.956 -3.923 0.584
166 HB3 CYS 24 HB1 CYS 24 3.452 -3.690 -0.297
167 H ARG 25 HN ARG 25 2.377 -6.800 0.502
168 HA ARG 25 HA ARG 25 5.254 -6.871 0.178
169 HB2 ARG 25 HB2 ARG 25 3.461 -8.214 2.195
170 HB3 ARG 25 HB1 ARG 25 5.216 -8.143 2.273
171 HG2 ARG 25 HG2 ARG 25 3.456 -5.719 2.205
172 HG3 ARG 25 HG1 ARG 25 4.044 -6.468 3.693
173 HD2 ARG 25 HD2 ARG 25 6.089 -5.938 1.654
174 HD3 ARG 25 HD1 ARG 25 5.344 -4.483 2.353
175 HE ARG 25 HE ARG 25 5.987 -5.385 4.566
176 HH11 ARG 25 HH11 ARG 25 7.725 -6.556 1.761
177 HH12 ARG 25 HH12 ARG 25 9.073 -7.128 2.685
178 HH21 ARG 25 HH21 ARG 25 7.765 -6.145 5.776
179 HH22 ARG 25 HH22 ARG 25 9.102 -6.884 4.950
180 H ASN 26 HN ASN 26 2.548 -9.083 -0.207
181 HA ASN 26 HA ASN 26 4.278 -11.318 -0.770
182 HB2 ASN 26 HB2 ASN 26 1.296 -10.960 -1.021
183 HB3 ASN 26 HB1 ASN 26 2.121 -12.460 -1.386
184 HD21 ASN 26 HD21 ASN 26 4.019 -11.946 0.863
185 HD22 ASN 26 HD22 ASN 26 3.135 -12.353 2.289
186 H ASN 27 HN ASN 27 2.354 -9.022 -2.600
187 HA ASN 27 HA ASN 27 2.777 -10.502 -5.052
188 HB2 ASN 27 HB2 ASN 27 1.332 -7.891 -4.571
189 HB3 ASN 27 HB1 ASN 27 1.327 -8.802 -6.078
190 HD21 ASN 27 HD21 ASN 27 0.259 -8.743 -2.757
191 HD22 ASN 27 HD22 ASN 27 -0.977 -9.942 -2.927
192 H GLU 28 HN GLU 28 3.543 -7.204 -3.873
193 HA GLU 28 HA GLU 28 5.418 -6.979 -6.122
194 HB2 GLU 28 HB2 GLU 28 3.592 -5.247 -5.756
195 HB3 GLU 28 HB1 GLU 28 4.486 -4.737 -4.333
196 HG2 GLU 28 HG2 GLU 28 5.001 -3.290 -6.171
197 HG3 GLU 28 HG1 GLU 28 6.428 -4.239 -5.757
198 H HIS 29 HN HIS 29 5.232 -7.162 -2.690
199 HA HIS 29 HA HIS 29 6.761 -7.609 -1.121
200 HB2 HIS 29 HB2 HIS 29 7.845 -8.914 -3.079
201 HB3 HIS 29 HB1 HIS 29 8.974 -7.567 -3.154
202 HD1 HIS 29 HD1 HIS 29 7.769 -10.209 -0.721
203 HD2 HIS 29 HD2 HIS 29 11.027 -7.704 -1.352
204 HE1 HIS 29 HE1 HIS 29 9.477 -10.874 0.999
205 HE2 HIS 29 HE2 HIS 29 11.490 -9.444 0.509
206 H LEU 30 HN LEU 30 5.946 -5.038 -1.503
207 HA LEU 30 HA LEU 30 8.149 -3.239 -1.684
208 HB2 LEU 30 HB2 LEU 30 5.431 -2.698 -0.501
209 HB3 LEU 30 HB1 LEU 30 6.632 -1.502 -0.946
210 HG LEU 30 HG LEU 30 4.888 -3.168 -2.729
211 HD11 LEU 30 HD11 LEU 30 4.100 -0.952 -2.005
212 HD12 LEU 30 HD12 LEU 30 4.397 -1.023 -3.746
213 HD13 LEU 30 HD13 LEU 30 5.562 -0.233 -2.687
214 HD21 LEU 30 HD21 LEU 30 7.424 -1.755 -3.536
215 HD22 LEU 30 HD22 LEU 30 6.213 -2.393 -4.647
216 HD23 LEU 30 HD23 LEU 30 7.117 -3.490 -3.607
217 H LEU 31 HN LEU 31 7.854 -1.472 0.427
218 HA LEU 31 HA LEU 31 9.505 -3.031 2.246
219 HB2 LEU 31 HB2 LEU 31 9.118 -0.052 2.112
220 HB3 LEU 31 HB1 LEU 31 10.419 -0.909 2.921
221 HG LEU 31 HG LEU 31 9.904 -0.708 -0.030
222 HD11 LEU 31 HD11 LEU 31 11.090 1.172 0.967
223 HD12 LEU 31 HD12 LEU 31 12.147 0.240 -0.095
224 HD13 LEU 31 HD13 LEU 31 12.276 0.064 1.655
225 HD21 LEU 31 HD21 LEU 31 11.903 -2.153 -0.299
226 HD22 LEU 31 HD22 LEU 31 10.481 -2.970 0.350
227 HD23 LEU 31 HD23 LEU 31 11.807 -2.518 1.425
228 H SER 32 HN SER 32 6.903 -0.582 2.653
229 HA SER 32 HA SER 32 6.453 -1.726 5.338
230 HB2 SER 32 HB2 SER 32 5.753 0.829 4.002
231 HB3 SER 32 HB1 SER 32 4.637 0.224 5.216
232 HG SER 32 HG SER 32 7.225 1.210 5.482
233 H GLY 33 HN GLY 33 4.945 -1.247 2.282
234 HA2 GLY 33 HA2 GLY 33 3.470 -2.516 1.147
235 HA3 GLY 33 HA1 GLY 33 3.783 -3.784 2.301
236 H ARG 34 HN ARG 34 2.193 -0.645 3.038
237 HA ARG 34 HA ARG 34 -0.172 -2.294 3.603
238 HB2 ARG 34 HB2 ARG 34 -0.022 0.640 4.275
239 HB3 ARG 34 HB1 ARG 34 -0.950 -0.644 5.041
240 HG2 ARG 34 HG2 ARG 34 0.953 -1.453 6.210
241 HG3 ARG 34 HG1 ARG 34 2.027 -0.371 5.308
242 HD2 ARG 34 HD2 ARG 34 1.663 0.816 7.305
243 HD3 ARG 34 HD1 ARG 34 0.501 1.529 6.191
244 HE ARG 34 HE ARG 34 -0.791 -0.564 7.496
245 HH11 ARG 34 HH11 ARG 34 0.689 2.496 8.363
246 HH12 ARG 34 HH12 ARG 34 -0.405 2.793 9.674
247 HH21 ARG 34 HH21 ARG 34 -2.211 -0.179 9.232
248 HH22 ARG 34 HH22 ARG 34 -2.047 1.269 10.174
249 H CYS 35 HN CYS 35 -0.470 -2.256 0.943
250 HA CYS 35 HA CYS 35 -1.940 0.235 0.497
251 HB2 CYS 35 HB2 CYS 35 -1.679 0.171 -1.765
252 HB3 CYS 35 HB1 CYS 35 -0.193 -0.586 -1.225
253 H ARG 36 HN ARG 36 -4.001 0.464 0.337
254 HA ARG 36 HA ARG 36 -5.707 -1.517 -0.797
255 HB2 ARG 36 HB2 ARG 36 -7.338 -1.446 1.158
256 HB3 ARG 36 HB1 ARG 36 -5.924 -2.455 1.365
257 HG2 ARG 36 HG2 ARG 36 -4.899 -0.458 2.557
258 HG3 ARG 36 HG1 ARG 36 -6.535 0.189 2.607
259 HD2 ARG 36 HD2 ARG 36 -7.286 -1.854 3.743
260 HD3 ARG 36 HD1 ARG 36 -5.646 -2.474 3.743
261 HE ARG 36 HE ARG 36 -5.653 0.063 4.956
262 HH11 ARG 36 HH11 ARG 36 -6.830 -3.176 5.620
263 HH12 ARG 36 HH12 ARG 36 -6.873 -2.928 7.337
264 HH21 ARG 36 HH21 ARG 36 -5.716 0.371 7.217
265 HH22 ARG 36 HH22 ARG 36 -6.236 -0.931 8.239
266 H ASP 37 HN ASP 37 -8.126 -0.515 -0.521
267 HA ASP 37 HA ASP 37 -7.805 2.333 -1.177
268 HB2 ASP 37 HB2 ASP 37 -7.947 1.201 -3.277
269 HB3 ASP 37 HB1 ASP 37 -9.328 0.252 -2.734
270 H ASP 38 HN ASP 38 -10.396 -0.075 -0.681
271 HA ASP 38 HA ASP 38 -12.292 1.820 0.188
272 HB2 ASP 38 HB2 ASP 38 -12.816 -0.512 -0.595
273 HB3 ASP 38 HB1 ASP 38 -12.206 -1.109 0.946
274 H PHE 39 HN PHE 39 -9.665 0.251 1.690
275 HA PHE 39 HA PHE 39 -10.184 1.756 4.165
276 HB2 PHE 39 HB2 PHE 39 -8.558 -0.767 3.967
277 HB3 PHE 39 HB1 PHE 39 -9.064 0.049 5.426
278 HD1 PHE 39 HD1 PHE 39 -9.924 -2.405 2.901
279 HD2 PHE 39 HD2 PHE 39 -11.461 0.011 6.075
280 HE1 PHE 39 HE1 PHE 39 -11.926 -3.825 3.031
281 HE2 PHE 39 HE2 PHE 39 -13.455 -1.422 6.200
282 HZ PHE 39 HZ PHE 39 -13.685 -3.339 4.679
283 H ARG 40 HN ARG 40 -7.908 2.283 5.223
284 HA ARG 40 HA ARG 40 -6.179 3.049 2.963
285 HB2 ARG 40 HB2 ARG 40 -5.737 5.188 4.101
286 HB3 ARG 40 HB1 ARG 40 -7.435 4.989 3.700
287 HG2 ARG 40 HG2 ARG 40 -7.802 4.239 6.067
288 HG3 ARG 40 HG1 ARG 40 -6.142 4.739 6.400
289 HD2 ARG 40 HD2 ARG 40 -7.644 6.520 7.012
290 HD3 ARG 40 HD1 ARG 40 -6.713 7.009 5.597
291 HE ARG 40 HE ARG 40 -9.053 5.885 4.639
292 HH11 ARG 40 HH11 ARG 40 -8.150 8.607 6.641
293 HH12 ARG 40 HH12 ARG 40 -9.536 9.554 6.201
294 HH21 ARG 40 HH21 ARG 40 -10.878 7.129 4.052
295 HH22 ARG 40 HH22 ARG 40 -11.089 8.714 4.725
296 H CYS 41 HN CYS 41 -4.204 2.385 3.082
297 HA CYS 41 HA CYS 41 -2.913 1.963 5.680
298 HB2 CYS 41 HB2 CYS 41 -3.809 -0.006 3.871
299 HB3 CYS 41 HB1 CYS 41 -2.060 -0.021 3.806
300 H TRP 42 HN TRP 42 -0.604 2.430 5.681
301 HA TRP 42 HA TRP 42 0.419 3.999 3.454
302 HB2 TRP 42 HB2 TRP 42 1.676 3.226 6.090
303 HB3 TRP 42 HB1 TRP 42 2.445 4.264 4.903
304 HD1 TRP 42 HD1 TRP 42 -0.237 4.272 7.599
305 HE1 TRP 42 HE1 TRP 42 -0.942 6.704 8.058
306 HE3 TRP 42 HE3 TRP 42 2.219 6.562 3.754
307 HZ2 TRP 42 HZ2 TRP 42 -0.520 9.259 6.911
308 HZ3 TRP 42 HZ3 TRP 42 2.017 8.985 3.495
309 HH2 TRP 42 HH2 TRP 42 0.670 10.313 5.030
310 H CYS 43 HN CYS 43 1.247 2.833 1.644
311 HA CYS 43 HA CYS 43 3.050 0.602 2.335
312 HB2 CYS 43 HB2 CYS 43 1.205 0.093 0.728
313 HB3 CYS 43 HB1 CYS 43 1.959 1.195 -0.426
314 H THR 44 HN THR 44 5.145 0.752 2.087
315 HA THR 44 HA THR 44 6.253 3.222 0.951
316 HB THR 44 HB THR 44 7.670 1.414 2.900
317 HG1 THR 44 HG1 THR 44 6.598 3.603 4.073
318 HG21 THR 44 HG21 THR 44 8.627 3.726 3.521
319 HG22 THR 44 HG22 THR 44 8.010 4.219 1.940
320 HG23 THR 44 HG23 THR 44 9.192 2.916 2.061
321 H ASN 45 HN ASN 45 7.913 3.159 -0.487
322 HA ASN 45 HA ASN 45 9.519 0.835 -0.948
323 HB2 ASN 45 HB2 ASN 45 7.394 0.316 -2.218
324 HB3 ASN 45 HB1 ASN 45 7.732 1.715 -3.228
325 HD21 ASN 45 HD21 ASN 45 8.985 -1.406 -2.201
326 HD22 ASN 45 HD22 ASN 45 9.890 -1.719 -3.639
327 H ARG 46 HN ARG 46 10.678 1.491 -3.360
328 HA ARG 46 HA ARG 46 11.754 4.153 -2.758
329 HB2 ARG 46 HB2 ARG 46 12.919 2.170 -4.711
330 HB3 ARG 46 HB1 ARG 46 13.708 3.553 -3.980
331 HG2 ARG 46 HG2 ARG 46 14.631 1.981 -2.671
332 HG3 ARG 46 HG1 ARG 46 13.126 2.154 -1.769
333 HD2 ARG 46 HD2 ARG 46 12.163 0.286 -2.967
334 HD3 ARG 46 HD1 ARG 46 13.614 0.132 -3.952
335 HE ARG 46 HE ARG 46 14.379 -0.066 -1.282
336 HH11 ARG 46 HH11 ARG 46 12.470 -1.882 -3.602
337 HH12 ARG 46 HH12 ARG 46 12.787 -3.411 -2.850
338 HH21 ARG 46 HH21 ARG 46 14.814 -2.080 -0.315
339 HH22 ARG 46 HH22 ARG 46 14.130 -3.525 -0.990
340 H CYS 47 HN CYS 47 11.156 5.817 -3.995
341 HA CYS 47 HA CYS 47 9.681 5.225 -6.442
342 HB2 CYS 47 HB2 CYS 47 8.875 7.557 -6.289
343 HB3 CYS 47 HB1 CYS 47 8.515 6.629 -4.841
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 12.595 6.597 7.616
2 H2 LYS 1 HT2 LYS 1 12.415 7.709 6.354
3 H3 LYS 1 HT3 LYS 1 13.793 6.739 6.434
4 HA LYS 1 HA LYS 1 12.513 4.773 6.049
5 HB2 LYS 1 HB2 LYS 1 10.136 4.900 5.546
6 HB3 LYS 1 HB1 LYS 1 10.444 5.562 7.145
7 HG2 LYS 1 HG2 LYS 1 10.217 7.796 6.342
8 HG3 LYS 1 HG1 LYS 1 10.148 7.241 4.671
9 HD2 LYS 1 HD2 LYS 1 7.917 7.723 5.296
10 HD3 LYS 1 HD1 LYS 1 8.060 5.967 5.312
11 HE2 LYS 1 HE2 LYS 1 6.827 6.674 7.254
12 HE3 LYS 1 HE1 LYS 1 8.400 6.061 7.764
13 HZ1 LYS 1 HZ1 LYS 1 7.753 8.938 7.407
14 HZ2 LYS 1 HZ2 LYS 1 9.189 8.296 8.032
15 HZ3 LYS 1 HZ3 LYS 1 7.744 8.133 8.891
16 H THR 2 HN THR 2 11.271 4.354 3.848
17 HA THR 2 HA THR 2 12.595 5.994 1.824
18 HB THR 2 HB THR 2 12.257 4.197 0.261
19 HG1 THR 2 HG1 THR 2 10.324 3.330 0.883
20 HG21 THR 2 HG21 THR 2 14.242 3.972 1.573
21 HG22 THR 2 HG22 THR 2 13.523 2.372 1.412
22 HG23 THR 2 HG23 THR 2 13.339 3.274 2.915
23 H CYS 3 HN CYS 3 11.135 5.806 -0.324
24 HA CYS 3 HA CYS 3 9.175 7.757 0.014
25 HB2 CYS 3 HB2 CYS 3 9.194 5.791 -2.271
26 HB3 CYS 3 HB1 CYS 3 8.694 7.480 -2.291
27 H GLU 4 HN GLU 4 7.282 7.570 1.001
28 HA GLU 4 HA GLU 4 5.835 5.015 0.797
29 HB2 GLU 4 HB2 GLU 4 6.802 5.188 3.018
30 HB3 GLU 4 HB1 GLU 4 6.157 6.810 3.207
31 HG2 GLU 4 HG2 GLU 4 3.857 5.789 3.005
32 HG3 GLU 4 HG1 GLU 4 4.640 4.211 3.162
33 H ASN 5 HN ASN 5 3.665 5.151 0.447
34 HA ASN 5 HA ASN 5 2.370 7.729 0.858
35 HB2 ASN 5 HB2 ASN 5 1.338 7.838 -1.262
36 HB3 ASN 5 HB1 ASN 5 3.035 7.536 -1.578
37 HD21 ASN 5 HD21 ASN 5 -0.168 6.198 -1.575
38 HD22 ASN 5 HD22 ASN 5 0.184 4.839 -2.595
39 H LEU 6 HN LEU 6 0.130 7.603 1.019
40 HA LEU 6 HA LEU 6 -0.808 5.070 2.084
41 HB2 LEU 6 HB2 LEU 6 -1.155 7.590 2.940
42 HB3 LEU 6 HB1 LEU 6 -2.569 7.456 1.916
43 HG LEU 6 HG LEU 6 -1.898 5.733 4.329
44 HD11 LEU 6 HD11 LEU 6 -4.162 7.669 3.784
45 HD12 LEU 6 HD12 LEU 6 -2.767 7.982 4.818
46 HD13 LEU 6 HD13 LEU 6 -3.922 6.724 5.254
47 HD21 LEU 6 HD21 LEU 6 -4.021 5.465 2.229
48 HD22 LEU 6 HD22 LEU 6 -4.232 4.851 3.866
49 HD23 LEU 6 HD23 LEU 6 -2.908 4.241 2.873
50 H SER 7 HN SER 7 -2.229 3.780 1.052
51 HA SER 7 HA SER 7 -3.102 4.576 -1.612
52 HB2 SER 7 HB2 SER 7 -3.693 2.059 -1.678
53 HB3 SER 7 HB1 SER 7 -1.988 2.515 -1.696
54 HG SER 7 HG SER 7 -1.842 2.011 0.468
55 H GLY 8 HN GLY 8 -5.186 4.837 -2.134
56 HA2 GLY 8 HA2 GLY 8 -7.486 3.822 -1.439
57 HA3 GLY 8 HA1 GLY 8 -7.141 4.694 0.046
58 H THR 9 HN THR 9 -8.448 6.423 0.072
59 HA THR 9 HA THR 9 -9.082 8.006 -2.200
60 HB THR 9 HB THR 9 -10.390 8.076 -0.074
61 HG1 THR 9 HG1 THR 9 -9.973 9.996 -1.671
62 HG21 THR 9 HG21 THR 9 -8.586 7.970 1.534
63 HG22 THR 9 HG22 THR 9 -9.513 9.448 1.795
64 HG23 THR 9 HG23 THR 9 -7.952 9.517 0.973
65 H PHE 10 HN PHE 10 -6.438 7.717 -0.067
66 HA PHE 10 HA PHE 10 -5.108 10.148 -0.895
67 HB2 PHE 10 HB2 PHE 10 -4.508 7.905 1.007
68 HB3 PHE 10 HB1 PHE 10 -3.221 8.984 0.488
69 HD1 PHE 10 HD1 PHE 10 -3.019 11.149 1.340
70 HD2 PHE 10 HD2 PHE 10 -6.429 8.799 2.279
71 HE1 PHE 10 HE1 PHE 10 -3.657 12.778 3.073
72 HE2 PHE 10 HE2 PHE 10 -7.082 10.419 4.013
73 HZ PHE 10 HZ PHE 10 -5.693 12.415 4.410
74 H LYS 11 HN LYS 11 -3.737 10.252 -2.580
75 HA LYS 11 HA LYS 11 -2.206 9.694 -4.156
76 HB2 LYS 11 HB2 LYS 11 -1.384 7.822 -1.941
77 HB3 LYS 11 HB1 LYS 11 -0.400 8.162 -3.355
78 HG2 LYS 11 HG2 LYS 11 0.468 9.546 -1.695
79 HG3 LYS 11 HG1 LYS 11 -0.546 10.617 -2.648
80 HD2 LYS 11 HD2 LYS 11 -2.324 10.364 -0.979
81 HD3 LYS 11 HD1 LYS 11 -1.279 9.338 0.001
82 HE2 LYS 11 HE2 LYS 11 -1.170 11.524 0.922
83 HE3 LYS 11 HE1 LYS 11 0.343 11.258 0.062
84 HZ1 LYS 11 HZ1 LYS 11 -0.595 13.458 -0.359
85 HZ2 LYS 11 HZ2 LYS 11 -1.983 12.749 -1.016
86 HZ3 LYS 11 HZ3 LYS 11 -0.490 12.543 -1.777
87 H GLY 12 HN GLY 12 -4.699 8.230 -4.454
88 HA2 GLY 12 HA2 GLY 12 -5.251 6.874 -6.297
89 HA3 GLY 12 HA1 GLY 12 -3.637 6.191 -6.258
90 HA PRO 13 HA PRO 13 -6.809 3.569 -3.839
91 HB2 PRO 13 HB2 PRO 13 -7.896 2.203 -6.104
92 HB3 PRO 13 HB1 PRO 13 -8.713 3.340 -5.032
93 HG2 PRO 13 HG2 PRO 13 -8.173 3.822 -7.691
94 HG3 PRO 13 HG1 PRO 13 -8.432 5.083 -6.473
95 HD2 PRO 13 HD2 PRO 13 -5.859 4.007 -7.561
96 HD3 PRO 13 HD1 PRO 13 -6.324 5.686 -7.210
97 H CYS 14 HN CYS 14 -7.248 0.995 -4.237
98 HA CYS 14 HA CYS 14 -5.125 -0.400 -5.530
99 HB2 CYS 14 HB2 CYS 14 -4.250 0.614 -3.235
100 HB3 CYS 14 HB1 CYS 14 -5.046 -0.805 -2.571
101 H ILE 15 HN ILE 15 -7.189 -0.962 -2.614
102 HA ILE 15 HA ILE 15 -8.743 -3.022 -3.909
103 HB ILE 15 HB ILE 15 -7.890 -4.719 -2.072
104 HG12 ILE 15 HG12 ILE 15 -5.480 -2.956 -2.569
105 HG13 ILE 15 HG11 ILE 15 -6.333 -3.120 -1.039
106 HG21 ILE 15 HG21 ILE 15 -6.364 -5.703 -3.723
107 HG22 ILE 15 HG22 ILE 15 -6.396 -4.202 -4.647
108 HG23 ILE 15 HG23 ILE 15 -7.867 -5.158 -4.467
109 HD11 ILE 15 HD11 ILE 15 -4.308 -4.428 -1.009
110 HD12 ILE 15 HD12 ILE 15 -4.794 -5.282 -2.474
111 HD13 ILE 15 HD13 ILE 15 -5.706 -5.502 -0.980
112 HA PRO 16 HA PRO 16 -11.172 -1.910 -0.345
113 HB2 PRO 16 HB2 PRO 16 -13.385 -3.287 -0.891
114 HB3 PRO 16 HB1 PRO 16 -12.814 -2.002 -1.959
115 HG2 PRO 16 HG2 PRO 16 -12.716 -4.944 -2.324
116 HG3 PRO 16 HG1 PRO 16 -12.825 -3.663 -3.539
117 HD2 PRO 16 HD2 PRO 16 -10.488 -5.070 -2.687
118 HD3 PRO 16 HD1 PRO 16 -10.580 -3.720 -3.832
119 H ASP 17 HN ASP 17 -9.788 -4.956 -0.432
120 HA ASP 17 HA ASP 17 -11.607 -6.404 1.239
121 HB2 ASP 17 HB2 ASP 17 -8.942 -7.533 1.026
122 HB3 ASP 17 HB1 ASP 17 -10.484 -8.187 0.481
123 H GLY 18 HN GLY 18 -8.813 -4.468 1.966
124 HA2 GLY 18 HA2 GLY 18 -8.134 -3.733 4.068
125 HA3 GLY 18 HA1 GLY 18 -9.186 -4.927 4.809
126 H ASN 19 HN ASN 19 -6.955 -5.798 2.344
127 HA ASN 19 HA ASN 19 -5.176 -7.090 4.283
128 HB2 ASN 19 HB2 ASN 19 -4.717 -8.575 2.174
129 HB3 ASN 19 HB1 ASN 19 -6.171 -8.837 3.126
130 HD21 ASN 19 HD21 ASN 19 -5.695 -6.145 0.953
131 HD22 ASN 19 HD22 ASN 19 -6.955 -6.572 -0.159
132 H CYS 20 HN CYS 20 -4.482 -4.604 3.928
133 HA CYS 20 HA CYS 20 -3.345 -3.872 1.523
134 HB2 CYS 20 HB2 CYS 20 -2.344 -2.014 2.826
135 HB3 CYS 20 HB1 CYS 20 -4.065 -2.204 2.987
136 H ASN 21 HN ASN 21 -1.708 -4.859 4.498
137 HA ASN 21 HA ASN 21 0.898 -4.622 3.688
138 HB2 ASN 21 HB2 ASN 21 -0.457 -6.507 5.554
139 HB3 ASN 21 HB1 ASN 21 1.239 -6.761 5.183
140 HD21 ASN 21 HD21 ASN 21 -0.054 -3.563 5.208
141 HD22 ASN 21 HD22 ASN 21 0.672 -3.056 6.693
142 H LYS 22 HN LYS 22 -0.978 -7.655 3.458
143 HA LYS 22 HA LYS 22 1.088 -9.040 2.206
144 HB2 LYS 22 HB2 LYS 22 -1.014 -10.501 1.391
145 HB3 LYS 22 HB1 LYS 22 -0.300 -10.605 2.989
146 HG2 LYS 22 HG2 LYS 22 -2.022 -9.139 3.879
147 HG3 LYS 22 HG1 LYS 22 -2.732 -8.959 2.266
148 HD2 LYS 22 HD2 LYS 22 -3.367 -11.237 2.194
149 HD3 LYS 22 HD1 LYS 22 -2.340 -11.651 3.563
150 HE2 LYS 22 HE2 LYS 22 -4.741 -9.846 3.743
151 HE3 LYS 22 HE1 LYS 22 -4.787 -11.573 4.070
152 HZ1 LYS 22 HZ1 LYS 22 -4.566 -10.294 6.101
153 HZ2 LYS 22 HZ2 LYS 22 -3.145 -9.577 5.531
154 HZ3 LYS 22 HZ3 LYS 22 -3.186 -11.236 5.846
155 H HIS 23 HN HIS 23 -1.285 -6.922 0.750
156 HA HIS 23 HA HIS 23 -0.992 -7.989 -1.878
157 HB2 HIS 23 HB2 HIS 23 -2.876 -6.468 -1.109
158 HB3 HIS 23 HB1 HIS 23 -1.734 -5.133 -1.246
159 HD1 HIS 23 HD1 HIS 23 -1.077 -4.370 -3.643
160 HD2 HIS 23 HD2 HIS 23 -3.763 -7.547 -3.555
161 HE1 HIS 23 HE1 HIS 23 -1.932 -4.599 -5.991
162 HE2 HIS 23 HE2 HIS 23 -3.505 -6.563 -5.936
163 H CYS 24 HN CYS 24 0.348 -5.017 -0.408
164 HA CYS 24 HA CYS 24 2.140 -4.497 -2.548
165 HB2 CYS 24 HB2 CYS 24 1.865 -3.488 0.249
166 HB3 CYS 24 HB1 CYS 24 3.402 -3.251 -0.564
167 H ARG 25 HN ARG 25 2.286 -6.808 0.031
168 HA ARG 25 HA ARG 25 5.174 -7.015 -0.153
169 HB2 ARG 25 HB2 ARG 25 3.260 -8.813 1.303
170 HB3 ARG 25 HB1 ARG 25 5.008 -8.877 1.407
171 HG2 ARG 25 HG2 ARG 25 3.085 -7.079 2.684
172 HG3 ARG 25 HG1 ARG 25 4.620 -7.710 3.272
173 HD2 ARG 25 HD2 ARG 25 5.795 -6.045 1.813
174 HD3 ARG 25 HD1 ARG 25 4.225 -5.426 1.349
175 HE ARG 25 HE ARG 25 3.959 -4.535 3.495
176 HH11 ARG 25 HH11 ARG 25 6.987 -6.250 3.185
177 HH12 ARG 25 HH12 ARG 25 7.532 -5.848 4.779
178 HH21 ARG 25 HH21 ARG 25 4.668 -4.004 5.615
179 HH22 ARG 25 HH22 ARG 25 6.220 -4.565 6.155
180 H ASN 26 HN ASN 26 2.384 -9.060 -0.996
181 HA ASN 26 HA ASN 26 4.093 -11.135 -1.999
182 HB2 ASN 26 HB2 ASN 26 1.120 -10.731 -1.974
183 HB3 ASN 26 HB1 ASN 26 1.842 -12.036 -2.904
184 HD21 ASN 26 HD21 ASN 26 1.234 -10.773 0.238
185 HD22 ASN 26 HD22 ASN 26 1.614 -12.206 1.129
186 H ASN 27 HN ASN 27 2.358 -8.450 -3.374
187 HA ASN 27 HA ASN 27 2.680 -9.465 -6.060
188 HB2 ASN 27 HB2 ASN 27 1.483 -6.895 -5.025
189 HB3 ASN 27 HB1 ASN 27 1.534 -7.348 -6.727
190 HD21 ASN 27 HD21 ASN 27 0.127 -8.002 -3.619
191 HD22 ASN 27 HD22 ASN 27 -1.158 -9.022 -4.198
192 H GLU 28 HN GLU 28 3.795 -6.575 -4.277
193 HA GLU 28 HA GLU 28 5.865 -6.313 -6.348
194 HB2 GLU 28 HB2 GLU 28 4.147 -4.479 -6.120
195 HB3 GLU 28 HB1 GLU 28 4.847 -4.114 -4.547
196 HG2 GLU 28 HG2 GLU 28 5.702 -2.630 -6.276
197 HG3 GLU 28 HG1 GLU 28 6.987 -3.635 -5.606
198 H HIS 29 HN HIS 29 5.271 -6.685 -2.983
199 HA HIS 29 HA HIS 29 6.563 -7.174 -1.239
200 HB2 HIS 29 HB2 HIS 29 7.783 -8.657 -2.898
201 HB3 HIS 29 HB1 HIS 29 8.978 -7.363 -3.027
202 HD1 HIS 29 HD1 HIS 29 7.271 -9.191 -0.165
203 HD2 HIS 29 HD2 HIS 29 11.019 -7.782 -1.278
204 HE1 HIS 29 HE1 HIS 29 8.749 -9.612 1.806
205 HE2 HIS 29 HE2 HIS 29 11.012 -8.716 1.138
206 H LEU 30 HN LEU 30 5.984 -4.741 -1.135
207 HA LEU 30 HA LEU 30 8.329 -3.052 -1.207
208 HB2 LEU 30 HB2 LEU 30 5.615 -2.342 -0.130
209 HB3 LEU 30 HB1 LEU 30 6.905 -1.248 -0.577
210 HG LEU 30 HG LEU 30 5.131 -2.865 -2.395
211 HD11 LEU 30 HD11 LEU 30 5.669 0.057 -1.987
212 HD12 LEU 30 HD12 LEU 30 4.149 -0.816 -1.783
213 HD13 LEU 30 HD13 LEU 30 4.819 -0.576 -3.396
214 HD21 LEU 30 HD21 LEU 30 7.404 -3.090 -3.231
215 HD22 LEU 30 HD22 LEU 30 7.620 -1.342 -3.147
216 HD23 LEU 30 HD23 LEU 30 6.452 -2.032 -4.273
217 H LEU 31 HN LEU 31 8.022 -1.412 0.950
218 HA LEU 31 HA LEU 31 9.379 -3.144 2.851
219 HB2 LEU 31 HB2 LEU 31 9.131 -0.154 2.968
220 HB3 LEU 31 HB1 LEU 31 10.358 -1.159 3.709
221 HG LEU 31 HG LEU 31 9.990 -0.575 0.788
222 HD11 LEU 31 HD11 LEU 31 12.226 0.007 2.734
223 HD12 LEU 31 HD12 LEU 31 11.127 1.185 2.014
224 HD13 LEU 31 HD13 LEU 31 12.288 0.327 1.002
225 HD21 LEU 31 HD21 LEU 31 11.861 -2.534 2.106
226 HD22 LEU 31 HD22 LEU 31 11.995 -1.986 0.434
227 HD23 LEU 31 HD23 LEU 31 10.569 -2.887 0.955
228 H SER 32 HN SER 32 6.834 -0.626 3.028
229 HA SER 32 HA SER 32 5.996 -1.840 5.584
230 HB2 SER 32 HB2 SER 32 5.485 0.787 4.258
231 HB3 SER 32 HB1 SER 32 4.368 0.193 5.468
232 HG SER 32 HG SER 32 6.554 1.508 5.903
233 H GLY 33 HN GLY 33 4.904 -1.095 2.390
234 HA2 GLY 33 HA2 GLY 33 3.557 -2.266 0.985
235 HA3 GLY 33 HA1 GLY 33 3.751 -3.615 2.080
236 H ARG 34 HN ARG 34 2.221 -0.624 3.073
237 HA ARG 34 HA ARG 34 -0.192 -2.072 3.690
238 HB2 ARG 34 HB2 ARG 34 1.242 0.214 4.560
239 HB3 ARG 34 HB1 ARG 34 -0.362 0.785 4.118
240 HG2 ARG 34 HG2 ARG 34 -1.209 -1.127 5.620
241 HG3 ARG 34 HG1 ARG 34 0.455 -1.229 6.197
242 HD2 ARG 34 HD2 ARG 34 0.377 0.875 7.190
243 HD3 ARG 34 HD1 ARG 34 -0.956 1.427 6.168
244 HE ARG 34 HE ARG 34 -1.705 -0.759 7.858
245 HH11 ARG 34 HH11 ARG 34 -1.133 2.697 7.938
246 HH12 ARG 34 HH12 ARG 34 -2.382 2.998 9.099
247 HH21 ARG 34 HH21 ARG 34 -3.342 -0.359 9.388
248 HH22 ARG 34 HH22 ARG 34 -3.643 1.266 9.920
249 H CYS 35 HN CYS 35 -0.896 -2.546 1.356
250 HA CYS 35 HA CYS 35 -1.924 -0.184 -0.016
251 HB2 CYS 35 HB2 CYS 35 -1.059 -1.179 -1.803
252 HB3 CYS 35 HB1 CYS 35 -0.892 -2.706 -0.950
253 H ARG 36 HN ARG 36 -3.942 0.506 0.309
254 HA ARG 36 HA ARG 36 -6.083 -1.476 -0.061
255 HB2 ARG 36 HB2 ARG 36 -6.627 0.883 1.657
256 HB3 ARG 36 HB1 ARG 36 -7.462 -0.652 1.571
257 HG2 ARG 36 HG2 ARG 36 -4.717 -0.679 2.572
258 HG3 ARG 36 HG1 ARG 36 -5.936 0.047 3.608
259 HD2 ARG 36 HD2 ARG 36 -5.561 -2.426 3.967
260 HD3 ARG 36 HD1 ARG 36 -7.217 -1.942 3.652
261 HE ARG 36 HE ARG 36 -5.474 -3.436 1.861
262 HH11 ARG 36 HH11 ARG 36 -8.493 -1.802 2.430
263 HH12 ARG 36 HH12 ARG 36 -9.358 -2.662 1.197
264 HH21 ARG 36 HH21 ARG 36 -6.621 -4.655 0.286
265 HH22 ARG 36 HH22 ARG 36 -8.286 -4.302 -0.021
266 H ASP 37 HN ASP 37 -8.184 -0.378 -0.476
267 HA ASP 37 HA ASP 37 -7.952 2.143 -1.983
268 HB2 ASP 37 HB2 ASP 37 -8.649 0.504 -3.534
269 HB3 ASP 37 HB1 ASP 37 -9.723 -0.261 -2.371
270 H ASP 38 HN ASP 38 -10.417 0.228 -0.243
271 HA ASP 38 HA ASP 38 -11.933 2.530 0.510
272 HB2 ASP 38 HB2 ASP 38 -13.026 0.356 0.226
273 HB3 ASP 38 HB1 ASP 38 -12.059 -0.317 1.541
274 H PHE 39 HN PHE 39 -9.974 0.231 2.311
275 HA PHE 39 HA PHE 39 -9.917 1.841 4.691
276 HB2 PHE 39 HB2 PHE 39 -8.310 -0.602 3.964
277 HB3 PHE 39 HB1 PHE 39 -8.417 0.107 5.560
278 HD1 PHE 39 HD1 PHE 39 -9.759 -2.317 3.347
279 HD2 PHE 39 HD2 PHE 39 -10.772 0.239 6.604
280 HE1 PHE 39 HE1 PHE 39 -11.708 -3.727 3.852
281 HE2 PHE 39 HE2 PHE 39 -12.717 -1.178 7.113
282 HZ PHE 39 HZ PHE 39 -13.187 -3.162 5.735
283 H ARG 40 HN ARG 40 -7.562 2.231 5.631
284 HA ARG 40 HA ARG 40 -6.090 3.501 3.418
285 HB2 ARG 40 HB2 ARG 40 -6.611 4.581 6.194
286 HB3 ARG 40 HB1 ARG 40 -5.526 5.329 5.034
287 HG2 ARG 40 HG2 ARG 40 -7.384 5.674 3.499
288 HG3 ARG 40 HG1 ARG 40 -8.479 4.902 4.646
289 HD2 ARG 40 HD2 ARG 40 -7.968 6.650 6.289
290 HD3 ARG 40 HD1 ARG 40 -6.898 7.425 5.121
291 HE ARG 40 HE ARG 40 -9.470 7.102 4.002
292 HH11 ARG 40 HH11 ARG 40 -7.782 9.004 6.412
293 HH12 ARG 40 HH12 ARG 40 -8.821 10.382 6.233
294 HH21 ARG 40 HH21 ARG 40 -10.841 8.910 3.775
295 HH22 ARG 40 HH22 ARG 40 -10.570 10.323 4.749
296 H CYS 41 HN CYS 41 -4.215 2.623 3.167
297 HA CYS 41 HA CYS 41 -2.569 1.964 5.490
298 HB2 CYS 41 HB2 CYS 41 -3.388 0.222 3.215
299 HB3 CYS 41 HB1 CYS 41 -1.835 -0.052 3.953
300 H TRP 42 HN TRP 42 -0.274 2.441 5.210
301 HA TRP 42 HA TRP 42 0.483 3.840 2.730
302 HB2 TRP 42 HB2 TRP 42 1.899 3.685 5.402
303 HB3 TRP 42 HB1 TRP 42 2.420 4.647 4.032
304 HD1 TRP 42 HD1 TRP 42 -0.442 4.503 6.626
305 HE1 TRP 42 HE1 TRP 42 -1.347 6.893 6.941
306 HE3 TRP 42 HE3 TRP 42 2.291 6.896 3.028
307 HZ2 TRP 42 HZ2 TRP 42 -0.960 9.445 5.800
308 HZ3 TRP 42 HZ3 TRP 42 1.966 9.296 2.702
309 HH2 TRP 42 HH2 TRP 42 0.370 10.551 4.051
310 H CYS 43 HN CYS 43 1.546 2.479 1.160
311 HA CYS 43 HA CYS 43 3.407 0.469 2.222
312 HB2 CYS 43 HB2 CYS 43 3.117 1.051 -0.733
313 HB3 CYS 43 HB1 CYS 43 3.804 -0.376 0.040
314 H THR 44 HN THR 44 5.393 0.997 2.695
315 HA THR 44 HA THR 44 6.700 3.308 1.528
316 HB THR 44 HB THR 44 7.910 1.315 3.442
317 HG1 THR 44 HG1 THR 44 6.354 3.613 4.118
318 HG21 THR 44 HG21 THR 44 9.110 3.406 4.208
319 HG22 THR 44 HG22 THR 44 8.469 4.195 2.764
320 HG23 THR 44 HG23 THR 44 9.540 2.803 2.610
321 H ASN 45 HN ASN 45 8.270 3.190 -0.028
322 HA ASN 45 HA ASN 45 9.831 0.804 -0.431
323 HB2 ASN 45 HB2 ASN 45 7.770 0.305 -1.730
324 HB3 ASN 45 HB1 ASN 45 8.052 1.756 -2.687
325 HD21 ASN 45 HD21 ASN 45 9.343 -1.395 -1.841
326 HD22 ASN 45 HD22 ASN 45 10.292 -1.598 -3.273
327 H ARG 46 HN ARG 46 11.417 1.190 -2.318
328 HA ARG 46 HA ARG 46 12.512 3.851 -1.875
329 HB2 ARG 46 HB2 ARG 46 13.713 1.448 -3.264
330 HB3 ARG 46 HB1 ARG 46 14.566 2.920 -2.816
331 HG2 ARG 46 HG2 ARG 46 14.879 2.224 -0.727
332 HG3 ARG 46 HG1 ARG 46 13.203 1.700 -0.565
333 HD2 ARG 46 HD2 ARG 46 13.756 -0.351 -1.815
334 HD3 ARG 46 HD1 ARG 46 15.441 0.164 -1.875
335 HE ARG 46 HE ARG 46 14.933 0.202 0.764
336 HH11 ARG 46 HH11 ARG 46 14.388 -2.212 -1.707
337 HH12 ARG 46 HH12 ARG 46 14.501 -3.549 -0.610
338 HH21 ARG 46 HH21 ARG 46 15.089 -1.547 2.219
339 HH22 ARG 46 HH22 ARG 46 14.916 -3.173 1.632
340 H CYS 47 HN CYS 47 12.223 5.431 -3.305
341 HA CYS 47 HA CYS 47 11.678 4.688 -6.095
342 HB2 CYS 47 HB2 CYS 47 10.370 6.696 -6.342
343 HB3 CYS 47 HB1 CYS 47 9.784 5.823 -4.934
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 12.022 6.214 7.382
2 H2 LYS 1 HT2 LYS 1 12.291 7.417 6.223
3 H3 LYS 1 HT3 LYS 1 13.317 6.073 6.303
4 HA LYS 1 HA LYS 1 11.517 4.614 5.669
5 HB2 LYS 1 HB2 LYS 1 9.982 7.208 5.579
6 HB3 LYS 1 HB1 LYS 1 9.461 5.779 4.707
7 HG2 LYS 1 HG2 LYS 1 9.168 4.574 6.757
8 HG3 LYS 1 HG1 LYS 1 9.845 5.915 7.685
9 HD2 LYS 1 HD2 LYS 1 8.007 7.349 7.026
10 HD3 LYS 1 HD1 LYS 1 7.357 6.083 5.986
11 HE2 LYS 1 HE2 LYS 1 7.701 5.767 8.960
12 HE3 LYS 1 HE1 LYS 1 6.220 6.370 8.219
13 HZ1 LYS 1 HZ1 LYS 1 6.076 4.009 8.658
14 HZ2 LYS 1 HZ2 LYS 1 7.452 3.715 7.723
15 HZ3 LYS 1 HZ3 LYS 1 6.038 4.293 6.987
16 H THR 2 HN THR 2 10.876 4.297 3.442
17 HA THR 2 HA THR 2 12.211 6.074 1.530
18 HB THR 2 HB THR 2 11.893 4.337 -0.152
19 HG1 THR 2 HG1 THR 2 10.142 3.208 0.437
20 HG21 THR 2 HG21 THR 2 13.167 3.271 2.366
21 HG22 THR 2 HG22 THR 2 13.945 4.317 1.180
22 HG23 THR 2 HG23 THR 2 13.458 2.683 0.727
23 H CYS 3 HN CYS 3 10.758 5.903 -0.666
24 HA CYS 3 HA CYS 3 8.749 7.769 -0.306
25 HB2 CYS 3 HB2 CYS 3 8.780 5.737 -2.544
26 HB3 CYS 3 HB1 CYS 3 8.144 7.379 -2.590
27 H GLU 4 HN GLU 4 6.909 7.592 0.760
28 HA GLU 4 HA GLU 4 5.457 5.033 0.716
29 HB2 GLU 4 HB2 GLU 4 6.646 5.197 2.834
30 HB3 GLU 4 HB1 GLU 4 6.017 6.815 3.095
31 HG2 GLU 4 HG2 GLU 4 3.708 5.768 3.084
32 HG3 GLU 4 HG1 GLU 4 4.529 4.208 3.191
33 H ASN 5 HN ASN 5 3.213 5.190 0.740
34 HA ASN 5 HA ASN 5 2.035 7.766 1.352
35 HB2 ASN 5 HB2 ASN 5 0.783 8.036 -0.637
36 HB3 ASN 5 HB1 ASN 5 2.435 7.748 -1.142
37 HD21 ASN 5 HD21 ASN 5 -0.779 6.503 -1.005
38 HD22 ASN 5 HD22 ASN 5 -0.544 5.192 -2.113
39 H LEU 6 HN LEU 6 -0.129 7.667 1.833
40 HA LEU 6 HA LEU 6 -1.044 5.048 2.696
41 HB2 LEU 6 HB2 LEU 6 -1.197 7.501 3.873
42 HB3 LEU 6 HB1 LEU 6 -2.776 7.397 3.117
43 HG LEU 6 HG LEU 6 -1.601 5.535 5.210
44 HD11 LEU 6 HD11 LEU 6 -2.613 7.649 5.997
45 HD12 LEU 6 HD12 LEU 6 -3.527 6.230 6.508
46 HD13 LEU 6 HD13 LEU 6 -4.112 7.222 5.173
47 HD21 LEU 6 HD21 LEU 6 -3.944 5.181 3.391
48 HD22 LEU 6 HD22 LEU 6 -3.928 4.489 5.013
49 HD23 LEU 6 HD23 LEU 6 -2.677 4.029 3.850
50 H SER 7 HN SER 7 -2.309 3.896 1.427
51 HA SER 7 HA SER 7 -3.240 5.044 -1.030
52 HB2 SER 7 HB2 SER 7 -3.623 2.239 0.021
53 HB3 SER 7 HB1 SER 7 -3.758 2.780 -1.650
54 HG SER 7 HG SER 7 -1.362 3.263 -0.301
55 H GLY 8 HN GLY 8 -5.274 5.508 -1.595
56 HA2 GLY 8 HA2 GLY 8 -7.652 4.530 -0.875
57 HA3 GLY 8 HA1 GLY 8 -7.280 5.563 0.502
58 H THR 9 HN THR 9 -8.696 7.205 0.234
59 HA THR 9 HA THR 9 -9.376 8.235 -2.317
60 HB THR 9 HB THR 9 -10.990 8.382 -0.530
61 HG1 THR 9 HG1 THR 9 -10.432 10.298 -2.159
62 HG21 THR 9 HG21 THR 9 -9.397 8.648 1.346
63 HG22 THR 9 HG22 THR 9 -10.714 9.819 1.398
64 HG23 THR 9 HG23 THR 9 -9.118 10.312 0.836
65 H PHE 10 HN PHE 10 -7.228 9.473 0.275
66 HA PHE 10 HA PHE 10 -6.317 11.533 -1.559
67 HB2 PHE 10 HB2 PHE 10 -4.899 12.299 0.357
68 HB3 PHE 10 HB1 PHE 10 -6.625 12.356 0.671
69 HD1 PHE 10 HD1 PHE 10 -3.475 11.278 1.852
70 HD2 PHE 10 HD2 PHE 10 -7.620 10.373 1.976
71 HE1 PHE 10 HE1 PHE 10 -3.130 10.013 3.934
72 HE2 PHE 10 HE2 PHE 10 -7.292 9.104 4.056
73 HZ PHE 10 HZ PHE 10 -5.043 8.927 5.041
74 H LYS 11 HN LYS 11 -4.092 11.660 -2.192
75 HA LYS 11 HA LYS 11 -2.163 10.774 -3.021
76 HB2 LYS 11 HB2 LYS 11 -2.583 8.673 -0.878
77 HB3 LYS 11 HB1 LYS 11 -1.118 8.859 -1.831
78 HG2 LYS 11 HG2 LYS 11 -0.426 10.675 -0.670
79 HG3 LYS 11 HG1 LYS 11 -2.068 11.243 -0.367
80 HD2 LYS 11 HD2 LYS 11 -2.350 9.833 1.465
81 HD3 LYS 11 HD1 LYS 11 -1.077 8.750 0.945
82 HE2 LYS 11 HE2 LYS 11 -0.474 10.136 2.916
83 HE3 LYS 11 HE1 LYS 11 0.609 10.356 1.547
84 HZ1 LYS 11 HZ1 LYS 11 -0.598 12.389 0.984
85 HZ2 LYS 11 HZ2 LYS 11 0.059 12.467 2.541
86 HZ3 LYS 11 HZ3 LYS 11 -1.593 12.184 2.336
87 H GLY 12 HN GLY 12 -1.538 7.942 -3.331
88 HA2 GLY 12 HA2 GLY 12 -3.343 7.372 -5.520
89 HA3 GLY 12 HA1 GLY 12 -1.905 6.460 -5.096
90 HA PRO 13 HA PRO 13 -5.681 4.264 -3.301
91 HB2 PRO 13 HB2 PRO 13 -7.001 3.182 -5.345
92 HB3 PRO 13 HB1 PRO 13 -7.299 4.856 -4.864
93 HG2 PRO 13 HG2 PRO 13 -5.660 3.797 -7.132
94 HG3 PRO 13 HG1 PRO 13 -6.762 5.185 -7.105
95 HD2 PRO 13 HD2 PRO 13 -4.004 5.328 -6.853
96 HD3 PRO 13 HD1 PRO 13 -5.142 6.581 -6.323
97 H CYS 14 HN CYS 14 -6.349 1.752 -4.261
98 HA CYS 14 HA CYS 14 -4.105 0.335 -5.260
99 HB2 CYS 14 HB2 CYS 14 -3.792 1.011 -2.617
100 HB3 CYS 14 HB1 CYS 14 -4.496 -0.596 -2.502
101 H ILE 15 HN ILE 15 -6.202 -0.833 -2.638
102 HA ILE 15 HA ILE 15 -7.925 -2.254 -4.502
103 HB ILE 15 HB ILE 15 -7.480 -4.448 -3.384
104 HG12 ILE 15 HG12 ILE 15 -4.979 -3.071 -2.397
105 HG13 ILE 15 HG11 ILE 15 -6.371 -3.451 -1.389
106 HG21 ILE 15 HG21 ILE 15 -5.191 -3.232 -4.921
107 HG22 ILE 15 HG22 ILE 15 -6.601 -4.051 -5.596
108 HG23 ILE 15 HG23 ILE 15 -5.424 -4.958 -4.646
109 HD11 ILE 15 HD11 ILE 15 -4.645 -5.434 -2.835
110 HD12 ILE 15 HD12 ILE 15 -6.039 -5.817 -1.825
111 HD13 ILE 15 HD13 ILE 15 -4.607 -5.077 -1.111
112 HA PRO 16 HA PRO 16 -10.533 -1.676 -0.963
113 HB2 PRO 16 HB2 PRO 16 -12.794 -2.698 -1.916
114 HB3 PRO 16 HB1 PRO 16 -12.061 -1.272 -2.659
115 HG2 PRO 16 HG2 PRO 16 -12.072 -4.098 -3.593
116 HG3 PRO 16 HG1 PRO 16 -12.148 -2.603 -4.538
117 HD2 PRO 16 HD2 PRO 16 -9.855 -4.164 -4.052
118 HD3 PRO 16 HD1 PRO 16 -9.889 -2.525 -4.726
119 H ASP 17 HN ASP 17 -9.085 -4.530 -1.454
120 HA ASP 17 HA ASP 17 -11.029 -6.324 -0.312
121 HB2 ASP 17 HB2 ASP 17 -8.123 -6.755 -0.994
122 HB3 ASP 17 HB1 ASP 17 -9.239 -8.021 -0.500
123 H GLY 18 HN GLY 18 -8.410 -4.416 0.954
124 HA2 GLY 18 HA2 GLY 18 -8.329 -3.827 3.236
125 HA3 GLY 18 HA1 GLY 18 -9.260 -5.257 3.623
126 H ASN 19 HN ASN 19 -7.024 -6.413 1.678
127 HA ASN 19 HA ASN 19 -5.336 -7.288 3.880
128 HB2 ASN 19 HB2 ASN 19 -4.506 -8.840 1.921
129 HB3 ASN 19 HB1 ASN 19 -6.047 -9.150 2.709
130 HD21 ASN 19 HD21 ASN 19 -5.479 -6.520 0.476
131 HD22 ASN 19 HD22 ASN 19 -6.545 -7.087 -0.751
132 H CYS 20 HN CYS 20 -4.560 -4.914 3.695
133 HA CYS 20 HA CYS 20 -3.186 -4.080 1.443
134 HB2 CYS 20 HB2 CYS 20 -2.440 -2.214 2.773
135 HB3 CYS 20 HB1 CYS 20 -4.137 -2.529 3.058
136 H ASN 21 HN ASN 21 -1.921 -5.364 4.505
137 HA ASN 21 HA ASN 21 0.762 -4.861 3.932
138 HB2 ASN 21 HB2 ASN 21 -0.614 -6.767 5.777
139 HB3 ASN 21 HB1 ASN 21 1.131 -6.840 5.589
140 HD21 ASN 21 HD21 ASN 21 -0.445 -3.811 5.236
141 HD22 ASN 21 HD22 ASN 21 0.007 -3.144 6.765
142 H LYS 22 HN LYS 22 -1.088 -7.852 3.484
143 HA LYS 22 HA LYS 22 1.156 -9.279 2.478
144 HB2 LYS 22 HB2 LYS 22 -0.341 -11.087 2.114
145 HB3 LYS 22 HB1 LYS 22 -0.902 -10.282 3.572
146 HG2 LYS 22 HG2 LYS 22 -2.664 -9.177 2.315
147 HG3 LYS 22 HG1 LYS 22 -2.054 -9.891 0.826
148 HD2 LYS 22 HD2 LYS 22 -3.803 -11.286 1.357
149 HD3 LYS 22 HD1 LYS 22 -2.434 -12.142 2.057
150 HE2 LYS 22 HE2 LYS 22 -4.316 -10.327 3.564
151 HE3 LYS 22 HE1 LYS 22 -4.408 -12.083 3.543
152 HZ1 LYS 22 HZ1 LYS 22 -3.307 -11.376 5.521
153 HZ2 LYS 22 HZ2 LYS 22 -2.207 -10.437 4.654
154 HZ3 LYS 22 HZ3 LYS 22 -2.161 -12.120 4.528
155 H HIS 23 HN HIS 23 -1.298 -7.269 0.960
156 HA HIS 23 HA HIS 23 -1.017 -8.355 -1.634
157 HB2 HIS 23 HB2 HIS 23 -2.886 -6.819 -0.873
158 HB3 HIS 23 HB1 HIS 23 -1.751 -5.486 -1.074
159 HD1 HIS 23 HD1 HIS 23 -1.434 -4.589 -3.413
160 HD2 HIS 23 HD2 HIS 23 -3.496 -8.198 -3.340
161 HE1 HIS 23 HE1 HIS 23 -2.277 -4.938 -5.754
162 HE2 HIS 23 HE2 HIS 23 -3.368 -7.211 -5.722
163 H CYS 24 HN CYS 24 0.486 -5.473 -0.148
164 HA CYS 24 HA CYS 24 2.182 -4.925 -2.327
165 HB2 CYS 24 HB2 CYS 24 2.223 -4.247 0.578
166 HB3 CYS 24 HB1 CYS 24 3.704 -4.028 -0.344
167 H ARG 25 HN ARG 25 2.865 -6.740 0.679
168 HA ARG 25 HA ARG 25 5.488 -7.229 -0.060
169 HB2 ARG 25 HB2 ARG 25 3.734 -8.006 2.142
170 HB3 ARG 25 HB1 ARG 25 5.159 -9.010 1.887
171 HG2 ARG 25 HG2 ARG 25 5.943 -7.302 3.276
172 HG3 ARG 25 HG1 ARG 25 6.377 -6.801 1.637
173 HD2 ARG 25 HD2 ARG 25 5.432 -4.837 2.466
174 HD3 ARG 25 HD1 ARG 25 4.126 -5.661 1.594
175 HE ARG 25 HE ARG 25 2.997 -5.912 3.562
176 HH11 ARG 25 HH11 ARG 25 6.370 -5.287 4.292
177 HH12 ARG 25 HH12 ARG 25 6.127 -5.253 6.007
178 HH21 ARG 25 HH21 ARG 25 2.690 -5.879 5.848
179 HH22 ARG 25 HH22 ARG 25 4.040 -5.579 6.886
180 H ASN 26 HN ASN 26 2.684 -9.287 -0.448
181 HA ASN 26 HA ASN 26 4.323 -11.537 -1.196
182 HB2 ASN 26 HB2 ASN 26 1.355 -11.076 -1.192
183 HB3 ASN 26 HB1 ASN 26 2.049 -12.494 -1.967
184 HD21 ASN 26 HD21 ASN 26 1.512 -10.848 1.004
185 HD22 ASN 26 HD22 ASN 26 1.859 -12.173 2.060
186 H ASN 27 HN ASN 27 2.477 -9.057 -2.851
187 HA ASN 27 HA ASN 27 2.823 -10.386 -5.397
188 HB2 ASN 27 HB2 ASN 27 1.446 -7.792 -4.691
189 HB3 ASN 27 HB1 ASN 27 1.455 -8.521 -6.293
190 HD21 ASN 27 HD21 ASN 27 0.213 -8.706 -3.063
191 HD22 ASN 27 HD22 ASN 27 -1.001 -9.908 -3.380
192 H GLU 28 HN GLU 28 3.800 -7.237 -3.988
193 HA GLU 28 HA GLU 28 5.736 -7.025 -6.201
194 HB2 GLU 28 HB2 GLU 28 3.951 -5.263 -6.047
195 HB3 GLU 28 HB1 GLU 28 4.652 -4.764 -4.514
196 HG2 GLU 28 HG2 GLU 28 5.424 -3.302 -6.233
197 HG3 GLU 28 HG1 GLU 28 6.778 -4.295 -5.694
198 H HIS 29 HN HIS 29 5.342 -7.072 -2.753
199 HA HIS 29 HA HIS 29 6.785 -7.431 -1.102
200 HB2 HIS 29 HB2 HIS 29 7.975 -8.916 -2.841
201 HB3 HIS 29 HB1 HIS 29 9.150 -7.595 -2.924
202 HD1 HIS 29 HD1 HIS 29 7.373 -9.421 -0.115
203 HD2 HIS 29 HD2 HIS 29 11.158 -8.043 -1.130
204 HE1 HIS 29 HE1 HIS 29 8.772 -9.764 1.929
205 HE2 HIS 29 HE2 HIS 29 11.121 -9.182 1.197
206 H LEU 30 HN LEU 30 6.085 -5.039 -1.094
207 HA LEU 30 HA LEU 30 8.365 -3.265 -1.357
208 HB2 LEU 30 HB2 LEU 30 5.627 -2.558 -0.329
209 HB3 LEU 30 HB1 LEU 30 6.886 -1.460 -0.855
210 HG LEU 30 HG LEU 30 5.110 -3.210 -2.531
211 HD11 LEU 30 HD11 LEU 30 4.702 -1.101 -3.705
212 HD12 LEU 30 HD12 LEU 30 5.798 -0.282 -2.593
213 HD13 LEU 30 HD13 LEU 30 4.297 -0.986 -1.988
214 HD21 LEU 30 HD21 LEU 30 7.373 -3.589 -3.344
215 HD22 LEU 30 HD22 LEU 30 7.641 -1.847 -3.439
216 HD23 LEU 30 HD23 LEU 30 6.445 -2.614 -4.484
217 H LEU 31 HN LEU 31 7.993 -1.488 0.739
218 HA LEU 31 HA LEU 31 9.453 -3.122 2.663
219 HB2 LEU 31 HB2 LEU 31 9.105 -0.135 2.710
220 HB3 LEU 31 HB1 LEU 31 10.372 -1.081 3.468
221 HG LEU 31 HG LEU 31 9.966 -0.574 0.539
222 HD11 LEU 31 HD11 LEU 31 12.212 0.094 2.442
223 HD12 LEU 31 HD12 LEU 31 11.073 1.233 1.721
224 HD13 LEU 31 HD13 LEU 31 12.239 0.384 0.704
225 HD21 LEU 31 HD21 LEU 31 12.001 -1.942 0.188
226 HD22 LEU 31 HD22 LEU 31 10.603 -2.867 0.735
227 HD23 LEU 31 HD23 LEU 31 11.894 -2.465 1.869
228 H SER 32 HN SER 32 6.851 -0.665 2.855
229 HA SER 32 HA SER 32 6.225 -1.697 5.543
230 HB2 SER 32 HB2 SER 32 5.428 0.725 3.978
231 HB3 SER 32 HB1 SER 32 4.515 0.230 5.387
232 HG SER 32 HG SER 32 6.511 1.754 5.486
233 H GLY 33 HN GLY 33 4.906 -1.304 2.403
234 HA2 GLY 33 HA2 GLY 33 3.542 -2.623 1.189
235 HA3 GLY 33 HA1 GLY 33 3.831 -3.867 2.378
236 H ARG 34 HN ARG 34 2.191 -0.851 3.278
237 HA ARG 34 HA ARG 34 -0.157 -2.504 3.742
238 HB2 ARG 34 HB2 ARG 34 -0.130 0.469 4.269
239 HB3 ARG 34 HB1 ARG 34 -0.998 -0.818 5.101
240 HG2 ARG 34 HG2 ARG 34 0.997 -1.531 6.230
241 HG3 ARG 34 HG1 ARG 34 1.954 -0.334 5.345
242 HD2 ARG 34 HD2 ARG 34 1.461 0.662 7.457
243 HD3 ARG 34 HD1 ARG 34 0.394 1.434 6.287
244 HE ARG 34 HE ARG 34 -0.906 -0.791 7.445
245 HH11 ARG 34 HH11 ARG 34 0.165 2.439 8.295
246 HH12 ARG 34 HH12 ARG 34 -1.118 2.692 9.434
247 HH21 ARG 34 HH21 ARG 34 -2.557 -0.471 8.960
248 HH22 ARG 34 HH22 ARG 34 -2.670 1.039 9.811
249 H CYS 35 HN CYS 35 -0.675 -2.909 1.434
250 HA CYS 35 HA CYS 35 -1.672 -0.578 -0.013
251 HB2 CYS 35 HB2 CYS 35 -0.360 -1.790 -1.473
252 HB3 CYS 35 HB1 CYS 35 -0.927 -3.334 -0.851
253 H ARG 36 HN ARG 36 -3.709 0.033 0.547
254 HA ARG 36 HA ARG 36 -5.730 -1.485 -0.740
255 HB2 ARG 36 HB2 ARG 36 -7.329 -1.677 1.150
256 HB3 ARG 36 HB1 ARG 36 -5.947 -2.731 1.313
257 HG2 ARG 36 HG2 ARG 36 -4.982 -0.917 2.812
258 HG3 ARG 36 HG1 ARG 36 -6.603 -0.250 2.842
259 HD2 ARG 36 HD2 ARG 36 -7.432 -2.425 3.662
260 HD3 ARG 36 HD1 ARG 36 -5.788 -3.035 3.717
261 HE ARG 36 HE ARG 36 -5.840 -0.690 5.207
262 HH11 ARG 36 HH11 ARG 36 -7.280 -3.892 5.413
263 HH12 ARG 36 HH12 ARG 36 -7.497 -3.803 7.130
264 HH21 ARG 36 HH21 ARG 36 -6.134 -0.611 7.465
265 HH22 ARG 36 HH22 ARG 36 -6.834 -1.970 8.285
266 H ASP 37 HN ASP 37 -7.867 -0.323 -0.652
267 HA ASP 37 HA ASP 37 -7.293 2.566 -0.712
268 HB2 ASP 37 HB2 ASP 37 -7.305 2.003 -2.959
269 HB3 ASP 37 HB1 ASP 37 -8.540 0.768 -2.753
270 H ASP 38 HN ASP 38 -10.120 0.359 -0.944
271 HA ASP 38 HA ASP 38 -12.006 2.117 0.117
272 HB2 ASP 38 HB2 ASP 38 -12.611 -0.040 -0.921
273 HB3 ASP 38 HB1 ASP 38 -11.907 -0.894 0.447
274 H PHE 39 HN PHE 39 -9.772 -0.084 1.671
275 HA PHE 39 HA PHE 39 -10.191 1.341 4.212
276 HB2 PHE 39 HB2 PHE 39 -8.533 -1.124 3.758
277 HB3 PHE 39 HB1 PHE 39 -9.115 -0.503 5.285
278 HD1 PHE 39 HD1 PHE 39 -11.611 -0.549 5.711
279 HD2 PHE 39 HD2 PHE 39 -9.750 -2.755 2.560
280 HE1 PHE 39 HE1 PHE 39 -13.577 -2.016 5.580
281 HE2 PHE 39 HE2 PHE 39 -11.724 -4.215 2.436
282 HZ PHE 39 HZ PHE 39 -13.636 -3.852 3.942
283 H ARG 40 HN ARG 40 -7.888 1.799 5.295
284 HA ARG 40 HA ARG 40 -6.303 2.870 3.049
285 HB2 ARG 40 HB2 ARG 40 -6.889 4.222 5.687
286 HB3 ARG 40 HB1 ARG 40 -5.878 4.878 4.404
287 HG2 ARG 40 HG2 ARG 40 -7.780 4.978 2.912
288 HG3 ARG 40 HG1 ARG 40 -8.808 4.237 4.139
289 HD2 ARG 40 HD2 ARG 40 -8.338 6.163 5.622
290 HD3 ARG 40 HD1 ARG 40 -7.433 6.913 4.307
291 HE ARG 40 HE ARG 40 -9.960 6.292 3.325
292 HH11 ARG 40 HH11 ARG 40 -8.530 8.373 5.746
293 HH12 ARG 40 HH12 ARG 40 -9.792 9.563 5.661
294 HH21 ARG 40 HH21 ARG 40 -11.643 7.845 3.220
295 HH22 ARG 40 HH22 ARG 40 -11.569 9.258 4.225
296 H CYS 41 HN CYS 41 -4.319 2.204 2.975
297 HA CYS 41 HA CYS 41 -2.868 1.668 5.461
298 HB2 CYS 41 HB2 CYS 41 -3.577 -0.158 3.316
299 HB3 CYS 41 HB1 CYS 41 -1.901 -0.243 3.777
300 H TRP 42 HN TRP 42 -0.672 2.254 5.490
301 HA TRP 42 HA TRP 42 0.392 3.849 3.296
302 HB2 TRP 42 HB2 TRP 42 1.586 3.091 5.975
303 HB3 TRP 42 HB1 TRP 42 2.373 4.136 4.810
304 HD1 TRP 42 HD1 TRP 42 -0.294 4.122 7.506
305 HE1 TRP 42 HE1 TRP 42 -1.012 6.549 7.986
306 HE3 TRP 42 HE3 TRP 42 2.108 6.467 3.654
307 HZ2 TRP 42 HZ2 TRP 42 -0.615 9.116 6.866
308 HZ3 TRP 42 HZ3 TRP 42 1.891 8.892 3.427
309 HH2 TRP 42 HH2 TRP 42 0.548 10.195 4.989
310 H CYS 43 HN CYS 43 1.216 2.563 1.536
311 HA CYS 43 HA CYS 43 3.087 0.445 2.361
312 HB2 CYS 43 HB2 CYS 43 1.329 -0.216 0.731
313 HB3 CYS 43 HB1 CYS 43 2.037 0.896 -0.445
314 H THR 44 HN THR 44 5.168 0.638 2.152
315 HA THR 44 HA THR 44 6.258 3.132 1.049
316 HB THR 44 HB THR 44 7.518 1.302 3.096
317 HG1 THR 44 HG1 THR 44 6.370 3.757 3.819
318 HG21 THR 44 HG21 THR 44 8.147 4.078 2.118
319 HG22 THR 44 HG22 THR 44 9.190 2.654 2.149
320 HG23 THR 44 HG23 THR 44 8.748 3.455 3.655
321 H ASN 45 HN ASN 45 7.836 3.061 -0.466
322 HA ASN 45 HA ASN 45 9.589 0.803 -0.762
323 HB2 ASN 45 HB2 ASN 45 7.587 0.083 -2.061
324 HB3 ASN 45 HB1 ASN 45 7.766 1.504 -3.079
325 HD21 ASN 45 HD21 ASN 45 9.244 -1.527 -2.115
326 HD22 ASN 45 HD22 ASN 45 10.202 -1.723 -3.540
327 H ARG 46 HN ARG 46 10.914 1.343 -3.004
328 HA ARG 46 HA ARG 46 11.956 4.017 -2.429
329 HB2 ARG 46 HB2 ARG 46 13.193 1.811 -4.085
330 HB3 ARG 46 HB1 ARG 46 13.991 3.254 -3.476
331 HG2 ARG 46 HG2 ARG 46 14.351 2.357 -1.459
332 HG3 ARG 46 HG1 ARG 46 12.762 1.593 -1.403
333 HD2 ARG 46 HD2 ARG 46 13.565 -0.144 -2.937
334 HD3 ARG 46 HD1 ARG 46 15.163 0.602 -2.935
335 HE ARG 46 HE ARG 46 14.811 0.161 -0.337
336 HH11 ARG 46 HH11 ARG 46 14.234 -1.912 -3.093
337 HH12 ARG 46 HH12 ARG 46 14.528 -3.381 -2.218
338 HH21 ARG 46 HH21 ARG 46 15.197 -1.768 0.828
339 HH22 ARG 46 HH22 ARG 46 15.079 -3.298 0.016
340 H CYS 47 HN CYS 47 11.755 5.653 -3.858
341 HA CYS 47 HA CYS 47 10.919 4.963 -6.592
342 HB2 CYS 47 HB2 CYS 47 9.593 6.984 -6.689
343 HB3 CYS 47 HB1 CYS 47 9.097 6.036 -5.295
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 12.307 7.535 6.407
2 H2 LYS 1 HT2 LYS 1 13.678 6.553 6.350
3 H3 LYS 1 HT3 LYS 1 12.570 6.380 7.615
4 HA LYS 1 HA LYS 1 12.314 4.607 6.033
5 HB2 LYS 1 HB2 LYS 1 9.915 4.892 5.521
6 HB3 LYS 1 HB1 LYS 1 10.296 5.338 7.175
7 HG2 LYS 1 HG2 LYS 1 10.157 7.656 6.659
8 HG3 LYS 1 HG1 LYS 1 10.036 7.319 4.935
9 HD2 LYS 1 HD2 LYS 1 7.850 7.880 5.838
10 HD3 LYS 1 HD1 LYS 1 7.883 6.196 5.317
11 HE2 LYS 1 HE2 LYS 1 6.732 6.383 7.435
12 HE3 LYS 1 HE1 LYS 1 8.243 5.504 7.652
13 HZ1 LYS 1 HZ1 LYS 1 9.253 7.500 8.531
14 HZ2 LYS 1 HZ2 LYS 1 7.861 7.125 9.411
15 HZ3 LYS 1 HZ3 LYS 1 7.831 8.376 8.276
16 H THR 2 HN THR 2 10.867 4.348 3.873
17 HA THR 2 HA THR 2 12.366 5.788 1.815
18 HB THR 2 HB THR 2 11.347 3.875 0.387
19 HG1 THR 2 HG1 THR 2 11.578 2.310 2.656
20 HG21 THR 2 HG21 THR 2 13.552 3.361 2.380
21 HG22 THR 2 HG22 THR 2 13.740 4.199 0.840
22 HG23 THR 2 HG23 THR 2 13.301 2.490 0.864
23 H CYS 3 HN CYS 3 10.958 5.763 -0.351
24 HA CYS 3 HA CYS 3 9.108 7.816 -0.064
25 HB2 CYS 3 HB2 CYS 3 9.070 5.810 -2.326
26 HB3 CYS 3 HB1 CYS 3 8.597 7.506 -2.381
27 H GLU 4 HN GLU 4 7.163 7.781 0.861
28 HA GLU 4 HA GLU 4 5.697 5.234 0.877
29 HB2 GLU 4 HB2 GLU 4 6.869 5.622 3.030
30 HB3 GLU 4 HB1 GLU 4 5.994 7.136 3.204
31 HG2 GLU 4 HG2 GLU 4 3.866 5.828 3.145
32 HG3 GLU 4 HG1 GLU 4 4.843 4.355 3.200
33 H ASN 5 HN ASN 5 3.540 5.349 0.620
34 HA ASN 5 HA ASN 5 2.242 7.930 0.981
35 HB2 ASN 5 HB2 ASN 5 1.159 7.959 -1.093
36 HB3 ASN 5 HB1 ASN 5 2.815 7.559 -1.473
37 HD21 ASN 5 HD21 ASN 5 -0.430 6.388 -1.209
38 HD22 ASN 5 HD22 ASN 5 -0.210 4.955 -2.164
39 H LEU 6 HN LEU 6 0.086 7.808 1.408
40 HA LEU 6 HA LEU 6 -0.796 5.242 2.465
41 HB2 LEU 6 HB2 LEU 6 -1.004 7.773 3.452
42 HB3 LEU 6 HB1 LEU 6 -2.574 7.579 2.694
43 HG LEU 6 HG LEU 6 -1.375 5.849 4.894
44 HD11 LEU 6 HD11 LEU 6 -2.298 7.998 5.630
45 HD12 LEU 6 HD12 LEU 6 -3.306 6.655 6.168
46 HD13 LEU 6 HD13 LEU 6 -3.815 7.647 4.803
47 HD21 LEU 6 HD21 LEU 6 -3.776 5.461 3.150
48 HD22 LEU 6 HD22 LEU 6 -3.728 4.846 4.803
49 HD23 LEU 6 HD23 LEU 6 -2.519 4.306 3.631
50 H SER 7 HN SER 7 -2.102 3.974 1.327
51 HA SER 7 HA SER 7 -2.993 4.944 -1.253
52 HB2 SER 7 HB2 SER 7 -3.111 2.155 -0.096
53 HB3 SER 7 HB1 SER 7 -3.277 2.610 -1.789
54 HG SER 7 HG SER 7 -0.977 3.525 -0.609
55 H GLY 8 HN GLY 8 -5.065 5.058 -1.945
56 HA2 GLY 8 HA2 GLY 8 -7.351 3.937 -1.391
57 HA3 GLY 8 HA1 GLY 8 -7.164 4.858 0.096
58 H THR 9 HN THR 9 -8.476 6.580 0.005
59 HA THR 9 HA THR 9 -9.028 7.993 -2.420
60 HB THR 9 HB THR 9 -10.517 8.044 -0.379
61 HG1 THR 9 HG1 THR 9 -10.688 10.510 -0.535
62 HG21 THR 9 HG21 THR 9 -8.354 9.872 0.668
63 HG22 THR 9 HG22 THR 9 -8.843 8.320 1.348
64 HG23 THR 9 HG23 THR 9 -9.955 9.687 1.385
65 H PHE 10 HN PHE 10 -6.619 7.987 0.002
66 HA PHE 10 HA PHE 10 -5.357 10.447 -0.861
67 HB2 PHE 10 HB2 PHE 10 -5.026 8.515 1.368
68 HB3 PHE 10 HB1 PHE 10 -3.573 9.346 0.827
69 HD1 PHE 10 HD1 PHE 10 -3.151 11.534 1.416
70 HD2 PHE 10 HD2 PHE 10 -6.993 9.887 2.134
71 HE1 PHE 10 HE1 PHE 10 -3.738 13.512 2.762
72 HE2 PHE 10 HE2 PHE 10 -7.597 11.854 3.482
73 HZ PHE 10 HZ PHE 10 -5.967 13.672 3.799
74 H LYS 11 HN LYS 11 -3.598 10.566 -2.132
75 HA LYS 11 HA LYS 11 -1.840 10.007 -3.444
76 HB2 LYS 11 HB2 LYS 11 -1.503 8.067 -1.164
77 HB3 LYS 11 HB1 LYS 11 -0.301 8.270 -2.426
78 HG2 LYS 11 HG2 LYS 11 0.462 9.601 -0.670
79 HG3 LYS 11 HG1 LYS 11 -0.280 10.739 -1.776
80 HD2 LYS 11 HD2 LYS 11 -2.282 10.758 -0.375
81 HD3 LYS 11 HD1 LYS 11 -1.524 9.630 0.755
82 HE2 LYS 11 HE2 LYS 11 -1.334 11.924 1.566
83 HE3 LYS 11 HE1 LYS 11 0.252 11.268 1.172
84 HZ1 LYS 11 HZ1 LYS 11 -0.061 13.554 0.385
85 HZ2 LYS 11 HZ2 LYS 11 -1.328 13.041 -0.609
86 HZ3 LYS 11 HZ3 LYS 11 0.242 12.481 -0.883
87 H GLY 12 HN GLY 12 -4.328 8.668 -4.183
88 HA2 GLY 12 HA2 GLY 12 -4.707 7.341 -6.079
89 HA3 GLY 12 HA1 GLY 12 -3.122 6.622 -5.874
90 HA PRO 13 HA PRO 13 -6.658 4.070 -3.813
91 HB2 PRO 13 HB2 PRO 13 -7.392 2.783 -6.308
92 HB3 PRO 13 HB1 PRO 13 -8.413 3.660 -5.165
93 HG2 PRO 13 HG2 PRO 13 -7.821 4.580 -7.659
94 HG3 PRO 13 HG1 PRO 13 -8.179 5.641 -6.286
95 HD2 PRO 13 HD2 PRO 13 -5.534 4.895 -7.467
96 HD3 PRO 13 HD1 PRO 13 -6.102 6.465 -6.863
97 H CYS 14 HN CYS 14 -7.010 1.446 -4.488
98 HA CYS 14 HA CYS 14 -4.578 0.237 -5.355
99 HB2 CYS 14 HB2 CYS 14 -4.458 1.198 -2.792
100 HB3 CYS 14 HB1 CYS 14 -4.946 -0.468 -2.530
101 H ILE 15 HN ILE 15 -6.994 -0.695 -2.836
102 HA ILE 15 HA ILE 15 -8.090 -2.824 -4.459
103 HB ILE 15 HB ILE 15 -7.324 -4.539 -2.657
104 HG12 ILE 15 HG12 ILE 15 -5.087 -2.514 -2.498
105 HG13 ILE 15 HG11 ILE 15 -6.244 -2.823 -1.205
106 HG21 ILE 15 HG21 ILE 15 -6.754 -4.732 -5.002
107 HG22 ILE 15 HG22 ILE 15 -5.364 -5.143 -3.997
108 HG23 ILE 15 HG23 ILE 15 -5.441 -3.574 -4.798
109 HD11 ILE 15 HD11 ILE 15 -5.444 -5.121 -1.057
110 HD12 ILE 15 HD12 ILE 15 -4.140 -3.966 -0.808
111 HD13 ILE 15 HD13 ILE 15 -4.287 -4.815 -2.346
112 HA PRO 16 HA PRO 16 -11.004 -2.492 -1.076
113 HB2 PRO 16 HB2 PRO 16 -12.854 -4.197 -1.935
114 HB3 PRO 16 HB1 PRO 16 -12.380 -2.807 -2.918
115 HG2 PRO 16 HG2 PRO 16 -11.734 -5.680 -3.280
116 HG3 PRO 16 HG1 PRO 16 -11.886 -4.401 -4.494
117 HD2 PRO 16 HD2 PRO 16 -9.485 -5.405 -3.259
118 HD3 PRO 16 HD1 PRO 16 -9.635 -4.129 -4.484
119 H ASP 17 HN ASP 17 -9.091 -5.307 -1.087
120 HA ASP 17 HA ASP 17 -10.766 -7.074 0.392
121 HB2 ASP 17 HB2 ASP 17 -7.762 -7.196 0.145
122 HB3 ASP 17 HB1 ASP 17 -8.853 -8.524 0.519
123 H GLY 18 HN GLY 18 -8.538 -4.585 1.481
124 HA2 GLY 18 HA2 GLY 18 -8.531 -3.657 3.618
125 HA3 GLY 18 HA1 GLY 18 -9.464 -5.019 4.211
126 H ASN 19 HN ASN 19 -7.138 -6.566 2.731
127 HA ASN 19 HA ASN 19 -5.482 -7.177 4.879
128 HB2 ASN 19 HB2 ASN 19 -3.972 -8.162 3.197
129 HB3 ASN 19 HB1 ASN 19 -5.646 -8.625 2.957
130 HD21 ASN 19 HD21 ASN 19 -6.424 -6.115 1.680
131 HD22 ASN 19 HD22 ASN 19 -5.742 -6.165 0.100
132 H CYS 20 HN CYS 20 -4.827 -5.032 2.162
133 HA CYS 20 HA CYS 20 -3.306 -3.570 1.619
134 HB2 CYS 20 HB2 CYS 20 -2.715 -1.871 3.020
135 HB3 CYS 20 HB1 CYS 20 -4.220 -2.430 3.704
136 H ASN 21 HN ASN 21 -1.820 -5.007 4.495
137 HA ASN 21 HA ASN 21 0.764 -4.648 3.558
138 HB2 ASN 21 HB2 ASN 21 -0.361 -6.512 5.614
139 HB3 ASN 21 HB1 ASN 21 1.356 -6.500 5.238
140 HD21 ASN 21 HD21 ASN 21 1.222 -3.598 4.658
141 HD22 ASN 21 HD22 ASN 21 1.183 -2.859 6.218
142 H LYS 22 HN LYS 22 -1.031 -7.746 3.583
143 HA LYS 22 HA LYS 22 1.061 -9.181 2.438
144 HB2 LYS 22 HB2 LYS 22 -0.438 -10.984 2.138
145 HB3 LYS 22 HB1 LYS 22 -0.978 -10.141 3.582
146 HG2 LYS 22 HG2 LYS 22 -2.696 -9.007 2.230
147 HG3 LYS 22 HG1 LYS 22 -2.177 -9.935 0.833
148 HD2 LYS 22 HD2 LYS 22 -4.089 -11.006 1.744
149 HD3 LYS 22 HD1 LYS 22 -2.686 -12.005 2.119
150 HE2 LYS 22 HE2 LYS 22 -2.630 -11.029 4.383
151 HE3 LYS 22 HE1 LYS 22 -4.074 -10.088 3.998
152 HZ1 LYS 22 HZ1 LYS 22 -4.626 -12.095 5.218
153 HZ2 LYS 22 HZ2 LYS 22 -3.891 -13.053 4.037
154 HZ3 LYS 22 HZ3 LYS 22 -5.275 -12.164 3.658
155 H HIS 23 HN HIS 23 -1.391 -7.200 0.868
156 HA HIS 23 HA HIS 23 -1.020 -8.265 -1.725
157 HB2 HIS 23 HB2 HIS 23 -2.897 -6.708 -1.048
158 HB3 HIS 23 HB1 HIS 23 -1.729 -5.390 -1.104
159 HD1 HIS 23 HD1 HIS 23 -1.006 -4.541 -3.441
160 HD2 HIS 23 HD2 HIS 23 -3.628 -7.769 -3.557
161 HE1 HIS 23 HE1 HIS 23 -1.756 -4.720 -5.831
162 HE2 HIS 23 HE2 HIS 23 -3.243 -6.752 -5.904
163 H CYS 24 HN CYS 24 0.211 -5.164 -0.445
164 HA CYS 24 HA CYS 24 1.981 -4.646 -2.533
165 HB2 CYS 24 HB2 CYS 24 1.792 -3.796 0.290
166 HB3 CYS 24 HB1 CYS 24 3.355 -3.609 -0.474
167 H ARG 25 HN ARG 25 2.360 -6.727 0.256
168 HA ARG 25 HA ARG 25 5.238 -6.774 -0.043
169 HB2 ARG 25 HB2 ARG 25 3.478 -8.141 1.979
170 HB3 ARG 25 HB1 ARG 25 5.228 -8.017 2.037
171 HG2 ARG 25 HG2 ARG 25 3.362 -5.680 2.027
172 HG3 ARG 25 HG1 ARG 25 4.080 -6.378 3.484
173 HD2 ARG 25 HD2 ARG 25 5.949 -5.726 1.310
174 HD3 ARG 25 HD1 ARG 25 5.186 -4.332 2.078
175 HE ARG 25 HE ARG 25 6.243 -4.905 4.106
176 HH11 ARG 25 HH11 ARG 25 7.090 -7.166 1.563
177 HH12 ARG 25 HH12 ARG 25 8.468 -7.786 2.410
178 HH21 ARG 25 HH21 ARG 25 8.054 -5.725 5.201
179 HH22 ARG 25 HH22 ARG 25 9.018 -6.966 4.463
180 H ASN 26 HN ASN 26 2.551 -8.901 -0.759
181 HA ASN 26 HA ASN 26 4.330 -11.208 -0.878
182 HB2 ASN 26 HB2 ASN 26 1.376 -10.886 -1.348
183 HB3 ASN 26 HB1 ASN 26 2.218 -12.373 -1.740
184 HD21 ASN 26 HD21 ASN 26 3.227 -10.477 0.963
185 HD22 ASN 26 HD22 ASN 26 2.626 -11.527 2.197
186 H ASN 27 HN ASN 27 2.403 -9.294 -3.158
187 HA ASN 27 HA ASN 27 3.546 -10.789 -5.376
188 HB2 ASN 27 HB2 ASN 27 2.075 -9.075 -6.714
189 HB3 ASN 27 HB1 ASN 27 1.317 -10.406 -5.842
190 HD21 ASN 27 HD21 ASN 27 0.260 -10.007 -3.912
191 HD22 ASN 27 HD22 ASN 27 -0.171 -8.412 -3.394
192 H GLU 28 HN GLU 28 3.558 -7.369 -4.271
193 HA GLU 28 HA GLU 28 5.600 -6.840 -6.298
194 HB2 GLU 28 HB2 GLU 28 3.551 -5.316 -5.703
195 HB3 GLU 28 HB1 GLU 28 4.589 -4.756 -4.399
196 HG2 GLU 28 HG2 GLU 28 4.790 -3.283 -6.285
197 HG3 GLU 28 HG1 GLU 28 6.308 -4.154 -6.055
198 H HIS 29 HN HIS 29 5.268 -7.282 -2.888
199 HA HIS 29 HA HIS 29 6.734 -7.489 -1.210
200 HB2 HIS 29 HB2 HIS 29 7.884 -8.945 -3.004
201 HB3 HIS 29 HB1 HIS 29 8.992 -7.591 -3.203
202 HD1 HIS 29 HD1 HIS 29 10.507 -6.997 -1.123
203 HD2 HIS 29 HD2 HIS 29 8.303 -10.508 -0.769
204 HE1 HIS 29 HE1 HIS 29 11.473 -8.213 0.851
205 HE2 HIS 29 HE2 HIS 29 10.138 -10.340 1.044
206 H LEU 30 HN LEU 30 5.948 -4.992 -1.495
207 HA LEU 30 HA LEU 30 8.199 -3.226 -1.761
208 HB2 LEU 30 HB2 LEU 30 5.496 -2.582 -0.601
209 HB3 LEU 30 HB1 LEU 30 6.723 -1.437 -1.106
210 HG LEU 30 HG LEU 30 4.914 -3.127 -2.802
211 HD11 LEU 30 HD11 LEU 30 4.190 -0.866 -2.186
212 HD12 LEU 30 HD12 LEU 30 4.499 -1.009 -3.919
213 HD13 LEU 30 HD13 LEU 30 5.678 -0.215 -2.877
214 HD21 LEU 30 HD21 LEU 30 6.227 -2.554 -4.764
215 HD22 LEU 30 HD22 LEU 30 7.172 -3.532 -3.643
216 HD23 LEU 30 HD23 LEU 30 7.444 -1.794 -3.744
217 H LEU 31 HN LEU 31 7.820 -1.445 0.401
218 HA LEU 31 HA LEU 31 9.423 -3.032 2.243
219 HB2 LEU 31 HB2 LEU 31 9.036 -0.056 2.173
220 HB3 LEU 31 HB1 LEU 31 10.299 -0.935 3.014
221 HG LEU 31 HG LEU 31 9.930 -0.621 0.053
222 HD11 LEU 31 HD11 LEU 31 11.079 1.191 1.177
223 HD12 LEU 31 HD12 LEU 31 12.192 0.281 0.153
224 HD13 LEU 31 HD13 LEU 31 12.207 0.042 1.899
225 HD21 LEU 31 HD21 LEU 31 11.911 -2.082 -0.202
226 HD22 LEU 31 HD22 LEU 31 10.467 -2.915 0.374
227 HD23 LEU 31 HD23 LEU 31 11.762 -2.511 1.505
228 H SER 32 HN SER 32 6.798 -0.604 2.618
229 HA SER 32 HA SER 32 6.222 -1.887 5.217
230 HB2 SER 32 HB2 SER 32 5.664 0.784 4.042
231 HB3 SER 32 HB1 SER 32 4.476 0.131 5.161
232 HG SER 32 HG SER 32 5.863 0.336 6.774
233 H GLY 33 HN GLY 33 4.868 -1.176 2.141
234 HA2 GLY 33 HA2 GLY 33 3.385 -2.308 0.874
235 HA3 GLY 33 HA1 GLY 33 3.625 -3.664 1.947
236 H ARG 34 HN ARG 34 2.172 -0.588 3.010
237 HA ARG 34 HA ARG 34 -0.210 -2.147 3.587
238 HB2 ARG 34 HB2 ARG 34 0.028 0.820 4.071
239 HB3 ARG 34 HB1 ARG 34 -0.923 -0.378 4.930
240 HG2 ARG 34 HG2 ARG 34 0.997 -1.237 6.050
241 HG3 ARG 34 HG1 ARG 34 2.068 -0.202 5.097
242 HD2 ARG 34 HD2 ARG 34 1.786 0.974 7.129
243 HD3 ARG 34 HD1 ARG 34 0.690 1.762 5.999
244 HE ARG 34 HE ARG 34 -0.699 -0.270 7.369
245 HH11 ARG 34 HH11 ARG 34 0.783 2.835 7.987
246 HH12 ARG 34 HH12 ARG 34 -0.378 3.296 9.190
247 HH21 ARG 34 HH21 ARG 34 -2.232 0.334 8.972
248 HH22 ARG 34 HH22 ARG 34 -2.085 1.880 9.748
249 H CYS 35 HN CYS 35 -0.916 -2.548 1.357
250 HA CYS 35 HA CYS 35 -1.803 -0.214 -0.177
251 HB2 CYS 35 HB2 CYS 35 -0.620 -1.675 -1.546
252 HB3 CYS 35 HB1 CYS 35 -1.356 -3.097 -0.831
253 H ARG 36 HN ARG 36 -3.844 0.561 0.156
254 HA ARG 36 HA ARG 36 -6.087 -1.330 0.076
255 HB2 ARG 36 HB2 ARG 36 -5.951 0.987 1.966
256 HB3 ARG 36 HB1 ARG 36 -7.293 -0.112 1.788
257 HG2 ARG 36 HG2 ARG 36 -4.641 -1.147 2.568
258 HG3 ARG 36 HG1 ARG 36 -5.653 -0.343 3.771
259 HD2 ARG 36 HD2 ARG 36 -5.990 -2.788 3.753
260 HD3 ARG 36 HD1 ARG 36 -7.447 -1.900 3.339
261 HE ARG 36 HE ARG 36 -5.796 -3.466 1.515
262 HH11 ARG 36 HH11 ARG 36 -8.558 -1.418 2.058
263 HH12 ARG 36 HH12 ARG 36 -9.475 -2.040 0.717
264 HH21 ARG 36 HH21 ARG 36 -6.980 -4.345 -0.217
265 HH22 ARG 36 HH22 ARG 36 -8.544 -3.692 -0.594
266 H ASP 37 HN ASP 37 -8.155 -0.329 -0.493
267 HA ASP 37 HA ASP 37 -7.919 2.311 -1.803
268 HB2 ASP 37 HB2 ASP 37 -8.538 0.568 -3.389
269 HB3 ASP 37 HB1 ASP 37 -9.859 0.056 -2.350
270 H ASP 38 HN ASP 38 -10.546 0.330 -0.474
271 HA ASP 38 HA ASP 38 -12.159 2.436 0.438
272 HB2 ASP 38 HB2 ASP 38 -12.522 0.175 2.146
273 HB3 ASP 38 HB1 ASP 38 -13.547 0.708 0.816
274 H PHE 39 HN PHE 39 -10.175 0.221 2.265
275 HA PHE 39 HA PHE 39 -10.056 1.889 4.607
276 HB2 PHE 39 HB2 PHE 39 -8.370 -0.526 3.980
277 HB3 PHE 39 HB1 PHE 39 -8.784 0.108 5.560
278 HD1 PHE 39 HD1 PHE 39 -9.614 -2.247 3.049
279 HD2 PHE 39 HD2 PHE 39 -11.290 0.091 6.196
280 HE1 PHE 39 HE1 PHE 39 -11.569 -3.744 3.131
281 HE2 PHE 39 HE2 PHE 39 -13.238 -1.408 6.281
282 HZ PHE 39 HZ PHE 39 -13.379 -3.326 4.745
283 H ARG 40 HN ARG 40 -7.711 2.354 5.492
284 HA ARG 40 HA ARG 40 -6.132 3.233 3.178
285 HB2 ARG 40 HB2 ARG 40 -5.624 5.323 4.276
286 HB3 ARG 40 HB1 ARG 40 -7.365 5.123 4.191
287 HG2 ARG 40 HG2 ARG 40 -7.235 4.268 6.575
288 HG3 ARG 40 HG1 ARG 40 -5.579 4.873 6.590
289 HD2 ARG 40 HD2 ARG 40 -8.137 6.414 6.274
290 HD3 ARG 40 HD1 ARG 40 -6.883 6.606 7.498
291 HE ARG 40 HE ARG 40 -6.192 7.145 4.711
292 HH11 ARG 40 HH11 ARG 40 -6.860 8.377 7.918
293 HH12 ARG 40 HH12 ARG 40 -6.251 9.963 7.568
294 HH21 ARG 40 HH21 ARG 40 -5.389 9.220 4.260
295 HH22 ARG 40 HH22 ARG 40 -5.404 10.438 5.494
296 H CYS 41 HN CYS 41 -4.226 2.428 3.129
297 HA CYS 41 HA CYS 41 -2.752 1.947 5.613
298 HB2 CYS 41 HB2 CYS 41 -3.804 0.003 3.832
299 HB3 CYS 41 HB1 CYS 41 -2.063 -0.039 3.661
300 H TRP 42 HN TRP 42 -0.528 2.555 5.504
301 HA TRP 42 HA TRP 42 0.389 4.071 3.199
302 HB2 TRP 42 HB2 TRP 42 1.754 3.390 5.811
303 HB3 TRP 42 HB1 TRP 42 2.475 4.391 4.567
304 HD1 TRP 42 HD1 TRP 42 -0.103 4.474 7.362
305 HE1 TRP 42 HE1 TRP 42 -0.786 6.921 7.788
306 HE3 TRP 42 HE3 TRP 42 2.225 6.677 3.386
307 HZ2 TRP 42 HZ2 TRP 42 -0.395 9.447 6.580
308 HZ3 TRP 42 HZ3 TRP 42 2.022 9.096 3.087
309 HH2 TRP 42 HH2 TRP 42 0.732 10.459 4.640
310 H CYS 43 HN CYS 43 1.073 2.768 1.399
311 HA CYS 43 HA CYS 43 2.898 0.569 2.057
312 HB2 CYS 43 HB2 CYS 43 1.107 0.179 0.342
313 HB3 CYS 43 HB1 CYS 43 1.957 1.303 -0.721
314 H THR 44 HN THR 44 4.997 0.736 1.954
315 HA THR 44 HA THR 44 6.157 3.235 0.952
316 HB THR 44 HB THR 44 7.432 1.363 2.937
317 HG1 THR 44 HG1 THR 44 6.269 3.599 4.001
318 HG21 THR 44 HG21 THR 44 9.017 2.878 2.155
319 HG22 THR 44 HG22 THR 44 8.440 3.599 3.660
320 HG23 THR 44 HG23 THR 44 7.862 4.209 2.109
321 H ASN 45 HN ASN 45 7.873 3.214 -0.401
322 HA ASN 45 HA ASN 45 9.338 0.780 -0.976
323 HB2 ASN 45 HB2 ASN 45 7.360 0.661 -2.474
324 HB3 ASN 45 HB1 ASN 45 7.801 2.223 -3.150
325 HD21 ASN 45 HD21 ASN 45 8.698 -1.133 -2.874
326 HD22 ASN 45 HD22 ASN 45 9.726 -1.175 -4.261
327 H ARG 46 HN ARG 46 11.276 1.269 -2.311
328 HA ARG 46 HA ARG 46 12.134 4.005 -1.811
329 HB2 ARG 46 HB2 ARG 46 14.352 2.865 -2.835
330 HB3 ARG 46 HB1 ARG 46 13.931 2.830 -1.135
331 HG2 ARG 46 HG2 ARG 46 14.539 0.648 -1.627
332 HG3 ARG 46 HG1 ARG 46 12.779 0.619 -1.638
333 HD2 ARG 46 HD2 ARG 46 12.821 0.845 -4.089
334 HD3 ARG 46 HD1 ARG 46 14.580 0.766 -4.044
335 HE ARG 46 HE ARG 46 13.709 -1.480 -2.720
336 HH11 ARG 46 HH11 ARG 46 13.355 -0.141 -5.937
337 HH12 ARG 46 HH12 ARG 46 13.177 -1.691 -6.694
338 HH21 ARG 46 HH21 ARG 46 13.495 -3.509 -3.705
339 HH22 ARG 46 HH22 ARG 46 13.256 -3.616 -5.421
340 H CYS 47 HN CYS 47 12.021 5.498 -3.290
341 HA CYS 47 HA CYS 47 11.710 4.665 -6.083
342 HB2 CYS 47 HB2 CYS 47 10.454 6.706 -6.445
343 HB3 CYS 47 HB1 CYS 47 9.766 5.830 -5.085
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 14.229 4.372 6.259
2 H2 LYS 1 HT2 LYS 1 14.077 5.879 5.505
3 H3 LYS 1 HT3 LYS 1 14.928 4.634 4.739
4 HA LYS 1 HA LYS 1 12.920 3.331 4.550
5 HB2 LYS 1 HB2 LYS 1 11.768 4.202 6.519
6 HB3 LYS 1 HB1 LYS 1 11.643 5.786 5.774
7 HG2 LYS 1 HG2 LYS 1 10.205 4.809 4.032
8 HG3 LYS 1 HG1 LYS 1 10.290 3.264 4.878
9 HD2 LYS 1 HD2 LYS 1 8.230 4.354 5.458
10 HD3 LYS 1 HD1 LYS 1 9.286 4.346 6.867
11 HE2 LYS 1 HE2 LYS 1 9.231 6.715 5.038
12 HE3 LYS 1 HE1 LYS 1 7.961 6.499 6.239
13 HZ1 LYS 1 HZ1 LYS 1 9.786 6.339 7.925
14 HZ2 LYS 1 HZ2 LYS 1 9.608 7.856 7.205
15 HZ3 LYS 1 HZ3 LYS 1 10.866 6.843 6.725
16 H THR 2 HN THR 2 11.462 3.643 2.745
17 HA THR 2 HA THR 2 12.451 5.701 0.912
18 HB THR 2 HB THR 2 11.656 4.291 -0.901
19 HG1 THR 2 HG1 THR 2 9.948 3.174 -0.192
20 HG21 THR 2 HG21 THR 2 13.895 3.878 -0.029
21 HG22 THR 2 HG22 THR 2 13.150 2.380 -0.588
22 HG23 THR 2 HG23 THR 2 13.231 2.736 1.138
23 H CYS 3 HN CYS 3 10.577 5.985 -0.875
24 HA CYS 3 HA CYS 3 8.864 7.852 0.295
25 HB2 CYS 3 HB2 CYS 3 8.216 6.541 -2.325
26 HB3 CYS 3 HB1 CYS 3 8.057 8.232 -1.856
27 H GLU 4 HN GLU 4 7.203 7.452 1.584
28 HA GLU 4 HA GLU 4 5.589 5.054 1.063
29 HB2 GLU 4 HB2 GLU 4 6.753 4.783 3.162
30 HB3 GLU 4 HB1 GLU 4 6.225 6.379 3.702
31 HG2 GLU 4 HG2 GLU 4 3.854 5.559 3.556
32 HG3 GLU 4 HG1 GLU 4 4.496 3.944 3.269
33 H ASN 5 HN ASN 5 3.417 5.253 0.977
34 HA ASN 5 HA ASN 5 2.239 7.748 1.889
35 HB2 ASN 5 HB2 ASN 5 1.033 8.193 -0.118
36 HB3 ASN 5 HB1 ASN 5 2.724 8.030 -0.549
37 HD21 ASN 5 HD21 ASN 5 -0.426 6.588 -0.685
38 HD22 ASN 5 HD22 ASN 5 -0.073 5.458 -1.955
39 H LEU 6 HN LEU 6 0.055 7.654 2.240
40 HA LEU 6 HA LEU 6 -0.990 5.019 2.854
41 HB2 LEU 6 HB2 LEU 6 -1.213 7.443 4.081
42 HB3 LEU 6 HB1 LEU 6 -2.692 7.422 3.141
43 HG LEU 6 HG LEU 6 -1.856 5.457 5.295
44 HD11 LEU 6 HD11 LEU 6 -3.897 6.240 6.383
45 HD12 LEU 6 HD12 LEU 6 -4.205 7.346 5.044
46 HD13 LEU 6 HD13 LEU 6 -2.793 7.581 6.076
47 HD21 LEU 6 HD21 LEU 6 -2.854 4.108 3.675
48 HD22 LEU 6 HD22 LEU 6 -4.092 5.322 3.301
49 HD23 LEU 6 HD23 LEU 6 -4.123 4.473 4.848
50 H SER 7 HN SER 7 -2.555 4.024 1.624
51 HA SER 7 HA SER 7 -3.138 5.314 -0.922
52 HB2 SER 7 HB2 SER 7 -3.550 2.445 -0.080
53 HB3 SER 7 HB1 SER 7 -3.619 3.094 -1.714
54 HG SER 7 HG SER 7 -1.292 3.648 -0.361
55 H GLY 8 HN GLY 8 -5.279 4.980 -1.883
56 HA2 GLY 8 HA2 GLY 8 -7.624 4.354 -1.541
57 HA3 GLY 8 HA1 GLY 8 -7.442 4.888 0.127
58 H THR 9 HN THR 9 -8.583 6.697 0.412
59 HA THR 9 HA THR 9 -8.970 8.683 -1.580
60 HB THR 9 HB THR 9 -10.441 8.450 0.416
61 HG1 THR 9 HG1 THR 9 -10.867 10.446 -0.104
62 HG21 THR 9 HG21 THR 9 -8.768 7.972 2.109
63 HG22 THR 9 HG22 THR 9 -9.686 9.406 2.567
64 HG23 THR 9 HG23 THR 9 -8.061 9.573 1.899
65 H PHE 10 HN PHE 10 -6.478 7.875 0.607
66 HA PHE 10 HA PHE 10 -5.083 10.404 0.427
67 HB2 PHE 10 HB2 PHE 10 -4.567 7.797 1.836
68 HB3 PHE 10 HB1 PHE 10 -3.317 9.027 1.714
69 HD1 PHE 10 HD1 PHE 10 -6.502 8.119 3.236
70 HD2 PHE 10 HD2 PHE 10 -3.489 11.094 2.904
71 HE1 PHE 10 HE1 PHE 10 -7.406 9.243 5.234
72 HE2 PHE 10 HE2 PHE 10 -4.384 12.232 4.900
73 HZ PHE 10 HZ PHE 10 -6.345 11.304 6.066
74 H LYS 11 HN LYS 11 -3.617 10.853 -1.072
75 HA LYS 11 HA LYS 11 -1.923 10.672 -2.570
76 HB2 LYS 11 HB2 LYS 11 -1.209 8.432 -0.681
77 HB3 LYS 11 HB1 LYS 11 -0.124 9.069 -1.901
78 HG2 LYS 11 HG2 LYS 11 0.539 10.124 0.057
79 HG3 LYS 11 HG1 LYS 11 -0.446 11.332 -0.749
80 HD2 LYS 11 HD2 LYS 11 -2.323 10.750 0.677
81 HD3 LYS 11 HD1 LYS 11 -1.368 9.504 1.479
82 HE2 LYS 11 HE2 LYS 11 -1.422 11.486 2.850
83 HE3 LYS 11 HE1 LYS 11 0.207 11.250 2.224
84 HZ1 LYS 11 HZ1 LYS 11 -1.789 13.114 1.063
85 HZ2 LYS 11 HZ2 LYS 11 -0.177 12.945 0.586
86 HZ3 LYS 11 HZ3 LYS 11 -0.544 13.568 2.114
87 H GLY 12 HN GLY 12 -4.301 9.141 -3.364
88 HA2 GLY 12 HA2 GLY 12 -4.537 8.112 -5.494
89 HA3 GLY 12 HA1 GLY 12 -2.932 7.426 -5.312
90 HA PRO 13 HA PRO 13 -6.533 4.579 -3.764
91 HB2 PRO 13 HB2 PRO 13 -6.785 3.455 -6.456
92 HB3 PRO 13 HB1 PRO 13 -8.039 4.068 -5.377
93 HG2 PRO 13 HG2 PRO 13 -7.332 5.370 -7.620
94 HG3 PRO 13 HG1 PRO 13 -7.841 6.226 -6.154
95 HD2 PRO 13 HD2 PRO 13 -5.073 5.741 -7.198
96 HD3 PRO 13 HD1 PRO 13 -5.777 7.221 -6.512
97 H CYS 14 HN CYS 14 -6.676 2.045 -4.414
98 HA CYS 14 HA CYS 14 -4.151 0.883 -5.122
99 HB2 CYS 14 HB2 CYS 14 -4.533 1.553 -2.407
100 HB3 CYS 14 HB1 CYS 14 -4.747 -0.186 -2.514
101 H ILE 15 HN ILE 15 -6.407 -0.500 -2.791
102 HA ILE 15 HA ILE 15 -7.791 -2.079 -4.787
103 HB ILE 15 HB ILE 15 -7.168 -4.239 -3.656
104 HG12 ILE 15 HG12 ILE 15 -5.017 -2.486 -2.461
105 HG13 ILE 15 HG11 ILE 15 -6.278 -3.354 -1.591
106 HG21 ILE 15 HG21 ILE 15 -4.931 -2.780 -5.053
107 HG22 ILE 15 HG22 ILE 15 -6.247 -3.660 -5.832
108 HG23 ILE 15 HG23 ILE 15 -5.058 -4.529 -4.860
109 HD11 ILE 15 HD11 ILE 15 -4.224 -4.523 -1.348
110 HD12 ILE 15 HD12 ILE 15 -3.966 -4.532 -3.092
111 HD13 ILE 15 HD13 ILE 15 -5.281 -5.468 -2.392
112 HA PRO 16 HA PRO 16 -10.695 -1.721 -1.482
113 HB2 PRO 16 HB2 PRO 16 -12.776 -2.976 -2.584
114 HB3 PRO 16 HB1 PRO 16 -12.130 -1.483 -3.276
115 HG2 PRO 16 HG2 PRO 16 -11.811 -4.295 -4.198
116 HG3 PRO 16 HG1 PRO 16 -11.928 -2.808 -5.151
117 HD2 PRO 16 HD2 PRO 16 -9.566 -4.183 -4.464
118 HD3 PRO 16 HD1 PRO 16 -9.673 -2.556 -5.157
119 H ASP 17 HN ASP 17 -9.219 -4.675 -2.114
120 HA ASP 17 HA ASP 17 -11.073 -6.422 -0.825
121 HB2 ASP 17 HB2 ASP 17 -8.156 -6.908 -1.445
122 HB3 ASP 17 HB1 ASP 17 -9.353 -8.136 -1.045
123 H GLY 18 HN GLY 18 -8.507 -4.424 0.332
124 HA2 GLY 18 HA2 GLY 18 -8.136 -3.771 2.508
125 HA3 GLY 18 HA1 GLY 18 -9.375 -4.894 3.028
126 H ASN 19 HN ASN 19 -6.456 -5.610 1.242
127 HA ASN 19 HA ASN 19 -5.615 -7.471 3.359
128 HB2 ASN 19 HB2 ASN 19 -4.719 -8.792 1.444
129 HB3 ASN 19 HB1 ASN 19 -6.465 -8.553 1.315
130 HD21 ASN 19 HD21 ASN 19 -7.140 -6.647 0.076
131 HD22 ASN 19 HD22 ASN 19 -6.217 -6.157 -1.292
132 H CYS 20 HN CYS 20 -4.862 -4.663 3.057
133 HA CYS 20 HA CYS 20 -3.180 -3.926 1.191
134 HB2 CYS 20 HB2 CYS 20 -2.254 -2.227 2.758
135 HB3 CYS 20 HB1 CYS 20 -4.006 -2.307 2.729
136 H ASN 21 HN ASN 21 -1.899 -5.143 4.309
137 HA ASN 21 HA ASN 21 0.780 -4.848 3.637
138 HB2 ASN 21 HB2 ASN 21 -0.631 -6.612 5.585
139 HB3 ASN 21 HB1 ASN 21 1.095 -6.799 5.341
140 HD21 ASN 21 HD21 ASN 21 1.400 -3.912 4.821
141 HD22 ASN 21 HD22 ASN 21 1.311 -3.180 6.378
142 H LYS 22 HN LYS 22 -1.211 -7.806 3.335
143 HA LYS 22 HA LYS 22 0.973 -9.267 2.286
144 HB2 LYS 22 HB2 LYS 22 -0.841 -10.923 1.547
145 HB3 LYS 22 HB1 LYS 22 -0.600 -10.653 3.260
146 HG2 LYS 22 HG2 LYS 22 -2.573 -9.273 3.364
147 HG3 LYS 22 HG1 LYS 22 -2.805 -9.394 1.615
148 HD2 LYS 22 HD2 LYS 22 -3.093 -11.804 1.810
149 HD3 LYS 22 HD1 LYS 22 -2.798 -11.726 3.543
150 HE2 LYS 22 HE2 LYS 22 -5.112 -10.452 2.086
151 HE3 LYS 22 HE1 LYS 22 -5.179 -11.939 3.021
152 HZ1 LYS 22 HZ1 LYS 22 -5.989 -10.021 4.264
153 HZ2 LYS 22 HZ2 LYS 22 -4.480 -9.276 4.127
154 HZ3 LYS 22 HZ3 LYS 22 -4.637 -10.712 5.003
155 H HIS 23 HN HIS 23 -1.372 -7.173 0.765
156 HA HIS 23 HA HIS 23 -1.041 -8.096 -1.874
157 HB2 HIS 23 HB2 HIS 23 -2.742 -6.414 -1.333
158 HB3 HIS 23 HB1 HIS 23 -1.478 -5.243 -0.963
159 HD1 HIS 23 HD1 HIS 23 -2.899 -7.172 -3.899
160 HD2 HIS 23 HD2 HIS 23 -0.501 -3.864 -3.136
161 HE1 HIS 23 HE1 HIS 23 -2.552 -6.062 -6.124
162 HE2 HIS 23 HE2 HIS 23 -0.967 -4.161 -5.662
163 H CYS 24 HN CYS 24 0.622 -5.370 -0.277
164 HA CYS 24 HA CYS 24 2.501 -5.047 -2.348
165 HB2 CYS 24 HB2 CYS 24 2.462 -4.252 0.540
166 HB3 CYS 24 HB1 CYS 24 3.890 -3.975 -0.441
167 H ARG 25 HN ARG 25 2.732 -6.671 0.801
168 HA ARG 25 HA ARG 25 5.535 -7.075 0.515
169 HB2 ARG 25 HB2 ARG 25 3.594 -8.235 2.501
170 HB3 ARG 25 HB1 ARG 25 5.339 -8.191 2.671
171 HG2 ARG 25 HG2 ARG 25 3.653 -5.751 2.339
172 HG3 ARG 25 HG1 ARG 25 4.087 -6.417 3.913
173 HD2 ARG 25 HD2 ARG 25 6.314 -6.023 2.022
174 HD3 ARG 25 HD1 ARG 25 5.548 -4.531 2.612
175 HE ARG 25 HE ARG 25 5.896 -5.692 4.915
176 HH11 ARG 25 HH11 ARG 25 8.169 -5.730 2.249
177 HH12 ARG 25 HH12 ARG 25 9.545 -6.001 3.274
178 HH21 ARG 25 HH21 ARG 25 7.702 -6.036 6.246
179 HH22 ARG 25 HH22 ARG 25 9.278 -6.177 5.539
180 H ASN 26 HN ASN 26 2.752 -9.103 -0.094
181 HA ASN 26 HA ASN 26 4.438 -11.478 -0.242
182 HB2 ASN 26 HB2 ASN 26 1.458 -11.079 -0.470
183 HB3 ASN 26 HB1 ASN 26 2.227 -12.602 -0.885
184 HD21 ASN 26 HD21 ASN 26 3.505 -10.662 1.664
185 HD22 ASN 26 HD22 ASN 26 2.997 -11.670 2.969
186 H ASN 27 HN ASN 27 2.619 -9.327 -2.337
187 HA ASN 27 HA ASN 27 3.172 -10.983 -4.640
188 HB2 ASN 27 HB2 ASN 27 1.768 -8.313 -4.467
189 HB3 ASN 27 HB1 ASN 27 1.867 -9.324 -5.904
190 HD21 ASN 27 HD21 ASN 27 0.435 -8.903 -2.787
191 HD22 ASN 27 HD22 ASN 27 -0.776 -10.130 -2.946
192 H GLU 28 HN GLU 28 4.030 -7.679 -3.563
193 HA GLU 28 HA GLU 28 5.947 -7.617 -5.796
194 HB2 GLU 28 HB2 GLU 28 4.027 -5.971 -5.784
195 HB3 GLU 28 HB1 GLU 28 4.787 -5.214 -4.392
196 HG2 GLU 28 HG2 GLU 28 5.290 -4.068 -6.499
197 HG3 GLU 28 HG1 GLU 28 6.734 -4.670 -5.687
198 H HIS 29 HN HIS 29 5.641 -7.320 -2.343
199 HA HIS 29 HA HIS 29 7.199 -7.558 -0.743
200 HB2 HIS 29 HB2 HIS 29 8.416 -8.945 -2.535
201 HB3 HIS 29 HB1 HIS 29 9.386 -7.507 -2.825
202 HD1 HIS 29 HD1 HIS 29 10.739 -6.628 -0.622
203 HD2 HIS 29 HD2 HIS 29 9.322 -10.531 -0.529
204 HE1 HIS 29 HE1 HIS 29 12.030 -7.769 1.205
205 HE2 HIS 29 HE2 HIS 29 11.056 -10.087 1.336
206 H LEU 30 HN LEU 30 6.178 -5.071 -1.406
207 HA LEU 30 HA LEU 30 8.289 -3.146 -1.577
208 HB2 LEU 30 HB2 LEU 30 5.533 -2.589 -0.516
209 HB3 LEU 30 HB1 LEU 30 6.668 -1.452 -1.197
210 HG LEU 30 HG LEU 30 4.963 -3.464 -2.624
211 HD11 LEU 30 HD11 LEU 30 4.080 -1.211 -2.137
212 HD12 LEU 30 HD12 LEU 30 4.258 -1.518 -3.871
213 HD13 LEU 30 HD13 LEU 30 5.441 -0.519 -3.022
214 HD21 LEU 30 HD21 LEU 30 7.356 -2.002 -3.738
215 HD22 LEU 30 HD22 LEU 30 6.169 -2.895 -4.688
216 HD23 LEU 30 HD23 LEU 30 7.198 -3.747 -3.535
217 H LEU 31 HN LEU 31 7.862 -1.300 0.429
218 HA LEU 31 HA LEU 31 9.383 -2.736 2.380
219 HB2 LEU 31 HB2 LEU 31 8.874 0.186 1.971
220 HB3 LEU 31 HB1 LEU 31 9.836 -0.451 3.288
221 HG LEU 31 HG LEU 31 11.046 -1.707 1.513
222 HD11 LEU 31 HD11 LEU 31 9.854 0.395 -0.167
223 HD12 LEU 31 HD12 LEU 31 9.567 -1.341 -0.273
224 HD13 LEU 31 HD13 LEU 31 11.158 -0.678 -0.664
225 HD21 LEU 31 HD21 LEU 31 11.950 0.193 2.831
226 HD22 LEU 31 HD22 LEU 31 11.361 1.263 1.550
227 HD23 LEU 31 HD23 LEU 31 12.628 0.086 1.204
228 H SER 32 HN SER 32 6.707 -0.428 2.632
229 HA SER 32 HA SER 32 6.220 -1.451 5.353
230 HB2 SER 32 HB2 SER 32 6.128 1.034 4.805
231 HB3 SER 32 HB1 SER 32 4.610 0.695 3.989
232 HG SER 32 HG SER 32 4.392 1.371 6.205
233 H GLY 33 HN GLY 33 4.921 -1.549 2.196
234 HA2 GLY 33 HA2 GLY 33 3.625 -3.092 1.227
235 HA3 GLY 33 HA1 GLY 33 3.703 -4.021 2.695
236 H ARG 34 HN ARG 34 2.331 -1.025 3.458
237 HA ARG 34 HA ARG 34 -0.222 -2.334 3.727
238 HB2 ARG 34 HB2 ARG 34 1.196 -0.159 4.896
239 HB3 ARG 34 HB1 ARG 34 -0.365 0.465 4.373
240 HG2 ARG 34 HG2 ARG 34 -1.414 -1.423 5.658
241 HG3 ARG 34 HG1 ARG 34 0.193 -1.816 6.267
242 HD2 ARG 34 HD2 ARG 34 0.374 0.269 7.392
243 HD3 ARG 34 HD1 ARG 34 -1.049 0.926 6.570
244 HE ARG 34 HE ARG 34 -2.271 -0.939 7.836
245 HH11 ARG 34 HH11 ARG 34 0.584 0.658 9.092
246 HH12 ARG 34 HH12 ARG 34 0.114 0.463 10.748
247 HH21 ARG 34 HH21 ARG 34 -2.893 -1.178 10.009
248 HH22 ARG 34 HH22 ARG 34 -1.868 -0.573 11.271
249 H CYS 35 HN CYS 35 -0.512 -2.569 1.225
250 HA CYS 35 HA CYS 35 -1.631 -0.107 0.100
251 HB2 CYS 35 HB2 CYS 35 -0.224 -1.062 -1.490
252 HB3 CYS 35 HB1 CYS 35 -0.800 -2.690 -1.154
253 H ARG 36 HN ARG 36 -3.721 0.297 0.731
254 HA ARG 36 HA ARG 36 -5.596 -1.309 -0.716
255 HB2 ARG 36 HB2 ARG 36 -7.233 -1.644 1.103
256 HB3 ARG 36 HB1 ARG 36 -5.791 -2.602 1.289
257 HG2 ARG 36 HG2 ARG 36 -5.028 -0.773 2.919
258 HG3 ARG 36 HG1 ARG 36 -6.711 -0.257 2.892
259 HD2 ARG 36 HD2 ARG 36 -7.375 -2.570 3.501
260 HD3 ARG 36 HD1 ARG 36 -5.681 -2.996 3.641
261 HE ARG 36 HE ARG 36 -6.217 -0.800 5.308
262 HH11 ARG 36 HH11 ARG 36 -6.988 -4.218 5.068
263 HH12 ARG 36 HH12 ARG 36 -7.119 -4.432 6.779
264 HH21 ARG 36 HH21 ARG 36 -6.367 -1.109 7.569
265 HH22 ARG 36 HH22 ARG 36 -6.745 -2.683 8.196
266 H ASP 37 HN ASP 37 -7.864 -0.351 -0.548
267 HA ASP 37 HA ASP 37 -7.489 2.564 -0.798
268 HB2 ASP 37 HB2 ASP 37 -7.559 1.704 -3.000
269 HB3 ASP 37 HB1 ASP 37 -8.876 0.602 -2.615
270 H ASP 38 HN ASP 38 -10.147 0.166 -0.745
271 HA ASP 38 HA ASP 38 -12.104 1.861 0.293
272 HB2 ASP 38 HB2 ASP 38 -12.693 -0.335 -0.593
273 HB3 ASP 38 HB1 ASP 38 -11.777 -1.126 0.687
274 H PHE 39 HN PHE 39 -9.763 -0.213 1.856
275 HA PHE 39 HA PHE 39 -10.163 1.227 4.384
276 HB2 PHE 39 HB2 PHE 39 -8.430 -1.190 3.903
277 HB3 PHE 39 HB1 PHE 39 -9.000 -0.573 5.438
278 HD1 PHE 39 HD1 PHE 39 -11.326 -0.914 6.125
279 HD2 PHE 39 HD2 PHE 39 -9.774 -2.645 2.545
280 HE1 PHE 39 HE1 PHE 39 -13.236 -2.457 6.048
281 HE2 PHE 39 HE2 PHE 39 -11.695 -4.182 2.469
282 HZ PHE 39 HZ PHE 39 -13.424 -4.090 4.219
283 H ARG 40 HN ARG 40 -7.856 1.721 5.444
284 HA ARG 40 HA ARG 40 -6.324 2.865 3.200
285 HB2 ARG 40 HB2 ARG 40 -6.881 4.157 5.876
286 HB3 ARG 40 HB1 ARG 40 -5.964 4.871 4.556
287 HG2 ARG 40 HG2 ARG 40 -7.916 4.957 3.168
288 HG3 ARG 40 HG1 ARG 40 -8.858 4.078 4.372
289 HD2 ARG 40 HD2 ARG 40 -8.493 5.950 5.952
290 HD3 ARG 40 HD1 ARG 40 -7.670 6.833 4.666
291 HE ARG 40 HE ARG 40 -10.085 6.170 3.587
292 HH11 ARG 40 HH11 ARG 40 -9.074 7.873 6.475
293 HH12 ARG 40 HH12 ARG 40 -10.472 8.897 6.516
294 HH21 ARG 40 HH21 ARG 40 -11.948 7.494 3.661
295 HH22 ARG 40 HH22 ARG 40 -12.108 8.677 4.920
296 H CYS 41 HN CYS 41 -4.332 2.215 3.099
297 HA CYS 41 HA CYS 41 -2.865 1.601 5.557
298 HB2 CYS 41 HB2 CYS 41 -3.393 -0.133 3.206
299 HB3 CYS 41 HB1 CYS 41 -1.851 -0.297 4.008
300 H TRP 42 HN TRP 42 -0.622 2.103 5.556
301 HA TRP 42 HA TRP 42 0.393 3.792 3.394
302 HB2 TRP 42 HB2 TRP 42 1.592 3.035 6.068
303 HB3 TRP 42 HB1 TRP 42 2.330 4.141 4.927
304 HD1 TRP 42 HD1 TRP 42 -0.557 3.911 7.436
305 HE1 TRP 42 HE1 TRP 42 -1.312 6.304 8.024
306 HE3 TRP 42 HE3 TRP 42 2.257 6.517 4.057
307 HZ2 TRP 42 HZ2 TRP 42 -0.789 8.938 7.159
308 HZ3 TRP 42 HZ3 TRP 42 2.074 8.957 3.999
309 HH2 TRP 42 HH2 TRP 42 0.577 10.150 5.511
310 H CYS 43 HN CYS 43 1.213 2.499 1.643
311 HA CYS 43 HA CYS 43 3.114 0.396 2.442
312 HB2 CYS 43 HB2 CYS 43 1.359 -0.200 0.736
313 HB3 CYS 43 HB1 CYS 43 2.133 0.920 -0.387
314 H THR 44 HN THR 44 5.257 0.672 2.264
315 HA THR 44 HA THR 44 6.201 3.243 1.246
316 HB THR 44 HB THR 44 7.651 1.148 2.880
317 HG1 THR 44 HG1 THR 44 5.893 2.998 3.649
318 HG21 THR 44 HG21 THR 44 9.170 2.477 1.531
319 HG22 THR 44 HG22 THR 44 9.326 2.894 3.236
320 HG23 THR 44 HG23 THR 44 8.440 3.960 2.144
321 H ASN 45 HN ASN 45 7.390 3.357 -0.579
322 HA ASN 45 HA ASN 45 8.869 1.041 -1.495
323 HB2 ASN 45 HB2 ASN 45 6.425 1.068 -2.467
324 HB3 ASN 45 HB1 ASN 45 7.081 2.319 -3.511
325 HD21 ASN 45 HD21 ASN 45 8.788 -0.460 -2.259
326 HD22 ASN 45 HD22 ASN 45 9.083 -1.197 -3.796
327 H ARG 46 HN ARG 46 9.686 1.822 -3.915
328 HA ARG 46 HA ARG 46 11.247 4.194 -3.211
329 HB2 ARG 46 HB2 ARG 46 11.786 2.232 -5.437
330 HB3 ARG 46 HB1 ARG 46 12.909 3.364 -4.701
331 HG2 ARG 46 HG2 ARG 46 13.212 2.069 -2.828
332 HG3 ARG 46 HG1 ARG 46 11.660 1.252 -3.020
333 HD2 ARG 46 HD2 ARG 46 12.530 0.096 -4.998
334 HD3 ARG 46 HD1 ARG 46 14.092 0.878 -4.757
335 HE ARG 46 HE ARG 46 13.747 -0.344 -2.406
336 HH11 ARG 46 HH11 ARG 46 13.361 -1.501 -5.687
337 HH12 ARG 46 HH12 ARG 46 13.751 -3.142 -5.293
338 HH21 ARG 46 HH21 ARG 46 14.288 -2.510 -1.885
339 HH22 ARG 46 HH22 ARG 46 14.302 -3.712 -3.136
340 H CYS 47 HN CYS 47 10.723 6.067 -4.151
341 HA CYS 47 HA CYS 47 9.122 5.986 -6.602
342 HB2 CYS 47 HB2 CYS 47 8.421 8.258 -6.061
343 HB3 CYS 47 HB1 CYS 47 8.127 7.191 -4.696
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 14.105 5.883 6.021
2 H2 LYS 1 HT2 LYS 1 13.022 5.631 7.294
3 H3 LYS 1 HT3 LYS 1 12.760 6.890 6.196
4 HA LYS 1 HA LYS 1 12.718 4.015 5.541
5 HB2 LYS 1 HB2 LYS 1 10.299 4.307 5.257
6 HB3 LYS 1 HB1 LYS 1 10.795 4.657 6.907
7 HG2 LYS 1 HG2 LYS 1 10.719 7.054 6.409
8 HG3 LYS 1 HG1 LYS 1 10.186 6.683 4.770
9 HD2 LYS 1 HD2 LYS 1 8.178 5.613 5.650
10 HD3 LYS 1 HD1 LYS 1 8.717 5.935 7.299
11 HE2 LYS 1 HE2 LYS 1 8.663 8.361 6.792
12 HE3 LYS 1 HE1 LYS 1 8.011 7.982 5.199
13 HZ1 LYS 1 HZ1 LYS 1 6.709 7.232 7.757
14 HZ2 LYS 1 HZ2 LYS 1 6.061 7.050 6.201
15 HZ3 LYS 1 HZ3 LYS 1 6.306 8.598 6.846
16 H THR 2 HN THR 2 11.277 3.898 3.407
17 HA THR 2 HA THR 2 12.506 5.758 1.513
18 HB THR 2 HB THR 2 11.929 4.179 -0.258
19 HG1 THR 2 HG1 THR 2 10.274 2.968 0.269
20 HG21 THR 2 HG21 THR 2 13.474 2.406 0.325
21 HG22 THR 2 HG22 THR 2 13.339 2.830 2.031
22 HG23 THR 2 HG23 THR 2 14.081 3.959 0.898
23 H CYS 3 HN CYS 3 10.907 5.846 -0.550
24 HA CYS 3 HA CYS 3 9.071 7.819 0.216
25 HB2 CYS 3 HB2 CYS 3 8.887 6.313 -2.380
26 HB3 CYS 3 HB1 CYS 3 8.591 8.024 -2.069
27 H GLU 4 HN GLU 4 7.200 7.544 1.215
28 HA GLU 4 HA GLU 4 5.707 5.053 0.735
29 HB2 GLU 4 HB2 GLU 4 6.719 4.869 2.894
30 HB3 GLU 4 HB1 GLU 4 6.250 6.510 3.317
31 HG2 GLU 4 HG2 GLU 4 3.834 5.665 3.046
32 HG3 GLU 4 HG1 GLU 4 4.540 4.049 3.164
33 H ASN 5 HN ASN 5 3.501 5.216 0.559
34 HA ASN 5 HA ASN 5 2.285 7.751 1.318
35 HB2 ASN 5 HB2 ASN 5 1.085 8.067 -0.700
36 HB3 ASN 5 HB1 ASN 5 2.759 7.822 -1.154
37 HD21 ASN 5 HD21 ASN 5 -0.448 6.505 -1.161
38 HD22 ASN 5 HD22 ASN 5 -0.145 5.254 -2.324
39 H LEU 6 HN LEU 6 0.142 7.651 1.763
40 HA LEU 6 HA LEU 6 -0.866 5.054 2.546
41 HB2 LEU 6 HB2 LEU 6 -1.112 7.520 3.648
42 HB3 LEU 6 HB1 LEU 6 -2.583 7.464 2.701
43 HG LEU 6 HG LEU 6 -1.785 5.574 4.940
44 HD11 LEU 6 HD11 LEU 6 -3.817 6.447 5.987
45 HD12 LEU 6 HD12 LEU 6 -4.077 7.525 4.615
46 HD13 LEU 6 HD13 LEU 6 -2.667 7.741 5.652
47 HD21 LEU 6 HD21 LEU 6 -4.006 4.568 4.528
48 HD22 LEU 6 HD22 LEU 6 -2.816 4.254 3.266
49 HD23 LEU 6 HD23 LEU 6 -4.090 5.461 3.007
50 H SER 7 HN SER 7 -2.273 3.900 1.313
51 HA SER 7 HA SER 7 -2.908 5.052 -1.286
52 HB2 SER 7 HB2 SER 7 -3.061 2.180 -0.365
53 HB3 SER 7 HB1 SER 7 -3.133 2.771 -2.021
54 HG SER 7 HG SER 7 -0.927 3.666 -0.715
55 H GLY 8 HN GLY 8 -4.942 4.926 -2.219
56 HA2 GLY 8 HA2 GLY 8 -7.217 3.982 -2.131
57 HA3 GLY 8 HA1 GLY 8 -7.176 4.267 -0.394
58 H THR 9 HN THR 9 -8.300 5.976 0.215
59 HA THR 9 HA THR 9 -9.078 8.064 -1.544
60 HB THR 9 HB THR 9 -10.384 7.533 0.476
61 HG1 THR 9 HG1 THR 9 -10.514 9.667 -0.370
62 HG21 THR 9 HG21 THR 9 -9.592 8.198 2.694
63 HG22 THR 9 HG22 THR 9 -8.040 8.672 2.001
64 HG23 THR 9 HG23 THR 9 -8.535 6.979 1.981
65 H PHE 10 HN PHE 10 -6.368 7.456 0.484
66 HA PHE 10 HA PHE 10 -5.263 10.127 0.219
67 HB2 PHE 10 HB2 PHE 10 -4.456 7.623 1.661
68 HB3 PHE 10 HB1 PHE 10 -3.286 8.904 1.395
69 HD1 PHE 10 HD1 PHE 10 -3.303 10.868 2.673
70 HD2 PHE 10 HD2 PHE 10 -6.454 8.044 3.056
71 HE1 PHE 10 HE1 PHE 10 -4.079 12.019 4.708
72 HE2 PHE 10 HE2 PHE 10 -7.243 9.189 5.084
73 HZ PHE 10 HZ PHE 10 -6.056 11.180 5.916
74 H LYS 11 HN LYS 11 -3.756 10.688 -1.248
75 HA LYS 11 HA LYS 11 -2.117 10.595 -2.822
76 HB2 LYS 11 HB2 LYS 11 -1.325 8.310 -1.027
77 HB3 LYS 11 HB1 LYS 11 -0.300 8.912 -2.316
78 HG2 LYS 11 HG2 LYS 11 0.491 9.893 -0.335
79 HG3 LYS 11 HG1 LYS 11 -0.393 11.158 -1.166
80 HD2 LYS 11 HD2 LYS 11 -2.288 10.863 0.293
81 HD3 LYS 11 HD1 LYS 11 -1.510 9.483 1.070
82 HE2 LYS 11 HE2 LYS 11 -1.299 11.489 2.439
83 HE3 LYS 11 HE1 LYS 11 0.277 10.937 1.878
84 HZ1 LYS 11 HZ1 LYS 11 0.113 13.309 1.669
85 HZ2 LYS 11 HZ2 LYS 11 -1.303 13.185 0.755
86 HZ3 LYS 11 HZ3 LYS 11 0.165 12.627 0.120
87 H GLY 12 HN GLY 12 -4.516 9.021 -3.582
88 HA2 GLY 12 HA2 GLY 12 -4.853 7.989 -5.696
89 HA3 GLY 12 HA1 GLY 12 -3.203 7.392 -5.645
90 HA PRO 13 HA PRO 13 -6.580 4.452 -3.828
91 HB2 PRO 13 HB2 PRO 13 -7.595 3.201 -5.966
92 HB3 PRO 13 HB1 PRO 13 -8.214 4.767 -5.428
93 HG2 PRO 13 HG2 PRO 13 -6.215 4.183 -7.595
94 HG3 PRO 13 HG1 PRO 13 -7.656 5.218 -7.667
95 HD2 PRO 13 HD2 PRO 13 -5.195 6.226 -7.259
96 HD3 PRO 13 HD1 PRO 13 -6.633 6.925 -6.487
97 H CYS 14 HN CYS 14 -6.737 2.014 -4.057
98 HA CYS 14 HA CYS 14 -4.567 0.718 -5.443
99 HB2 CYS 14 HB2 CYS 14 -3.371 1.281 -3.453
100 HB3 CYS 14 HB1 CYS 14 -4.689 0.731 -2.425
101 H ILE 15 HN ILE 15 -6.155 -0.693 -2.596
102 HA ILE 15 HA ILE 15 -7.878 -2.279 -4.352
103 HB ILE 15 HB ILE 15 -7.150 -4.386 -3.300
104 HG12 ILE 15 HG12 ILE 15 -5.204 -2.526 -1.963
105 HG13 ILE 15 HG11 ILE 15 -6.154 -3.837 -1.275
106 HG21 ILE 15 HG21 ILE 15 -5.071 -4.639 -4.586
107 HG22 ILE 15 HG22 ILE 15 -4.992 -2.888 -4.781
108 HG23 ILE 15 HG23 ILE 15 -6.322 -3.796 -5.500
109 HD11 ILE 15 HD11 ILE 15 -3.750 -4.310 -1.344
110 HD12 ILE 15 HD12 ILE 15 -3.806 -4.219 -3.106
111 HD13 ILE 15 HD13 ILE 15 -4.706 -5.473 -2.258
112 HA PRO 16 HA PRO 16 -10.412 -1.664 -0.781
113 HB2 PRO 16 HB2 PRO 16 -12.729 -2.481 -1.863
114 HB3 PRO 16 HB1 PRO 16 -11.913 -1.012 -2.405
115 HG2 PRO 16 HG2 PRO 16 -12.175 -3.623 -3.755
116 HG3 PRO 16 HG1 PRO 16 -11.892 -2.020 -4.450
117 HD2 PRO 16 HD2 PRO 16 -9.971 -4.085 -3.896
118 HD3 PRO 16 HD1 PRO 16 -9.682 -2.488 -4.605
119 H ASP 17 HN ASP 17 -9.062 -4.463 -1.262
120 HA ASP 17 HA ASP 17 -11.128 -6.275 -0.351
121 HB2 ASP 17 HB2 ASP 17 -8.201 -6.830 -0.853
122 HB3 ASP 17 HB1 ASP 17 -9.476 -8.028 -0.653
123 H GLY 18 HN GLY 18 -8.567 -4.463 1.086
124 HA2 GLY 18 HA2 GLY 18 -8.187 -4.120 3.349
125 HA3 GLY 18 HA1 GLY 18 -9.362 -5.367 3.716
126 H ASN 19 HN ASN 19 -6.616 -5.722 1.641
127 HA ASN 19 HA ASN 19 -5.277 -7.441 3.601
128 HB2 ASN 19 HB2 ASN 19 -4.472 -8.638 1.452
129 HB3 ASN 19 HB1 ASN 19 -6.127 -8.910 1.980
130 HD21 ASN 19 HD21 ASN 19 -5.150 -5.909 0.493
131 HD22 ASN 19 HD22 ASN 19 -6.037 -6.118 -0.966
132 H CYS 20 HN CYS 20 -4.750 -4.704 3.388
133 HA CYS 20 HA CYS 20 -3.166 -3.850 1.379
134 HB2 CYS 20 HB2 CYS 20 -2.365 -2.077 2.897
135 HB3 CYS 20 HB1 CYS 20 -4.108 -2.240 2.912
136 H ASN 21 HN ASN 21 -1.861 -4.709 4.590
137 HA ASN 21 HA ASN 21 0.791 -4.500 3.929
138 HB2 ASN 21 HB2 ASN 21 -0.642 -6.127 5.963
139 HB3 ASN 21 HB1 ASN 21 1.075 -6.403 5.728
140 HD21 ASN 21 HD21 ASN 21 1.447 -3.547 5.007
141 HD22 ASN 21 HD22 ASN 21 1.422 -2.729 6.524
142 H LYS 22 HN LYS 22 -0.998 -7.572 3.986
143 HA LYS 22 HA LYS 22 1.161 -9.044 3.018
144 HB2 LYS 22 HB2 LYS 22 -0.673 -10.746 2.393
145 HB3 LYS 22 HB1 LYS 22 -0.431 -10.335 4.082
146 HG2 LYS 22 HG2 LYS 22 -2.364 -8.884 4.045
147 HG3 LYS 22 HG1 LYS 22 -2.596 -9.169 2.314
148 HD2 LYS 22 HD2 LYS 22 -3.004 -11.514 2.727
149 HD3 LYS 22 HD1 LYS 22 -2.635 -11.320 4.439
150 HE2 LYS 22 HE2 LYS 22 -4.570 -9.867 4.700
151 HE3 LYS 22 HE1 LYS 22 -4.918 -10.007 2.981
152 HZ1 LYS 22 HZ1 LYS 22 -6.321 -11.490 4.199
153 HZ2 LYS 22 HZ2 LYS 22 -4.998 -12.198 4.975
154 HZ3 LYS 22 HZ3 LYS 22 -5.213 -12.409 3.312
155 H HIS 23 HN HIS 23 -1.308 -7.272 1.228
156 HA HIS 23 HA HIS 23 -0.911 -8.670 -1.196
157 HB2 HIS 23 HB2 HIS 23 -2.822 -7.027 -0.578
158 HB3 HIS 23 HB1 HIS 23 -1.725 -5.785 -1.176
159 HD1 HIS 23 HD1 HIS 23 -1.542 -5.519 -3.692
160 HD2 HIS 23 HD2 HIS 23 -3.623 -8.935 -2.567
161 HE1 HIS 23 HE1 HIS 23 -2.499 -6.459 -5.815
162 HE2 HIS 23 HE2 HIS 23 -3.948 -8.374 -5.065
163 H CYS 24 HN CYS 24 0.269 -5.406 -0.273
164 HA CYS 24 HA CYS 24 2.024 -4.908 -2.343
165 HB2 CYS 24 HB2 CYS 24 1.992 -4.190 0.532
166 HB3 CYS 24 HB1 CYS 24 3.549 -4.073 -0.263
167 H ARG 25 HN ARG 25 2.579 -6.861 0.538
168 HA ARG 25 HA ARG 25 5.384 -7.049 0.050
169 HB2 ARG 25 HB2 ARG 25 3.679 -8.549 2.023
170 HB3 ARG 25 HB1 ARG 25 5.415 -8.357 2.074
171 HG2 ARG 25 HG2 ARG 25 3.434 -6.120 2.265
172 HG3 ARG 25 HG1 ARG 25 4.265 -6.863 3.637
173 HD2 ARG 25 HD2 ARG 25 5.828 -5.790 1.346
174 HD3 ARG 25 HD1 ARG 25 5.214 -4.663 2.555
175 HE ARG 25 HE ARG 25 7.359 -6.577 2.855
176 HH11 ARG 25 HH11 ARG 25 4.945 -4.715 4.588
177 HH12 ARG 25 HH12 ARG 25 5.841 -4.684 6.067
178 HH21 ARG 25 HH21 ARG 25 8.531 -6.550 4.811
179 HH22 ARG 25 HH22 ARG 25 7.886 -5.718 6.188
180 H ASN 26 HN ASN 26 2.644 -9.019 -0.740
181 HA ASN 26 HA ASN 26 4.332 -11.358 -1.159
182 HB2 ASN 26 HB2 ASN 26 1.388 -10.886 -1.192
183 HB3 ASN 26 HB1 ASN 26 2.031 -12.268 -2.068
184 HD21 ASN 26 HD21 ASN 26 1.511 -10.840 1.015
185 HD22 ASN 26 HD22 ASN 26 1.904 -12.228 1.972
186 H ASN 27 HN ASN 27 2.344 -9.166 -3.104
187 HA ASN 27 HA ASN 27 3.071 -10.613 -5.506
188 HB2 ASN 27 HB2 ASN 27 1.355 -9.521 -6.572
189 HB3 ASN 27 HB1 ASN 27 0.785 -9.418 -4.915
190 HD21 ASN 27 HD21 ASN 27 1.134 -7.420 -3.764
191 HD22 ASN 27 HD22 ASN 27 1.211 -5.928 -4.661
192 H GLU 28 HN GLU 28 3.820 -7.494 -4.017
193 HA GLU 28 HA GLU 28 5.643 -6.973 -6.266
194 HB2 GLU 28 HB2 GLU 28 3.602 -5.448 -5.758
195 HB3 GLU 28 HB1 GLU 28 4.595 -4.830 -4.446
196 HG2 GLU 28 HG2 GLU 28 6.285 -4.117 -5.998
197 HG3 GLU 28 HG1 GLU 28 5.427 -4.877 -7.335
198 H HIS 29 HN HIS 29 5.367 -7.358 -2.862
199 HA HIS 29 HA HIS 29 6.859 -7.564 -1.196
200 HB2 HIS 29 HB2 HIS 29 8.002 -9.029 -2.866
201 HB3 HIS 29 HB1 HIS 29 8.965 -7.645 -3.362
202 HD1 HIS 29 HD1 HIS 29 8.282 -9.612 -0.165
203 HD2 HIS 29 HD2 HIS 29 11.299 -7.443 -2.029
204 HE1 HIS 29 HE1 HIS 29 10.293 -9.829 1.325
205 HE2 HIS 29 HE2 HIS 29 12.052 -8.376 0.257
206 H LEU 30 HN LEU 30 6.042 -5.152 -1.167
207 HA LEU 30 HA LEU 30 8.258 -3.306 -1.541
208 HB2 LEU 30 HB2 LEU 30 5.528 -2.619 -0.492
209 HB3 LEU 30 HB1 LEU 30 6.740 -1.522 -1.100
210 HG LEU 30 HG LEU 30 5.000 -3.412 -2.654
211 HD11 LEU 30 HD11 LEU 30 4.110 -1.202 -2.109
212 HD12 LEU 30 HD12 LEU 30 4.406 -1.371 -3.842
213 HD13 LEU 30 HD13 LEU 30 5.530 -0.453 -2.839
214 HD21 LEU 30 HD21 LEU 30 6.278 -2.704 -4.654
215 HD22 LEU 30 HD22 LEU 30 7.208 -3.722 -3.554
216 HD23 LEU 30 HD23 LEU 30 7.482 -1.979 -3.590
217 H LEU 31 HN LEU 31 7.791 -1.462 0.481
218 HA LEU 31 HA LEU 31 9.271 -2.847 2.490
219 HB2 LEU 31 HB2 LEU 31 8.739 0.011 1.861
220 HB3 LEU 31 HB1 LEU 31 9.605 -0.474 3.313
221 HG LEU 31 HG LEU 31 10.925 -1.902 1.729
222 HD11 LEU 31 HD11 LEU 31 11.218 -1.141 -0.491
223 HD12 LEU 31 HD12 LEU 31 10.064 0.155 -0.200
224 HD13 LEU 31 HD13 LEU 31 9.522 -1.523 -0.181
225 HD21 LEU 31 HD21 LEU 31 11.305 1.069 1.670
226 HD22 LEU 31 HD22 LEU 31 12.571 -0.139 1.414
227 HD23 LEU 31 HD23 LEU 31 11.807 0.017 2.998
228 H SER 32 HN SER 32 6.570 -0.544 2.623
229 HA SER 32 HA SER 32 6.093 -1.458 5.361
230 HB2 SER 32 HB2 SER 32 6.008 1.017 4.780
231 HB3 SER 32 HB1 SER 32 4.487 0.664 3.973
232 HG SER 32 HG SER 32 5.088 0.283 6.718
233 H GLY 33 HN GLY 33 4.754 -1.785 2.275
234 HA2 GLY 33 HA2 GLY 33 3.552 -3.585 1.611
235 HA3 GLY 33 HA1 GLY 33 3.436 -4.100 3.263
236 H ARG 34 HN ARG 34 2.262 -1.012 3.381
237 HA ARG 34 HA ARG 34 -0.345 -2.199 3.785
238 HB2 ARG 34 HB2 ARG 34 1.170 0.071 4.663
239 HB3 ARG 34 HB1 ARG 34 -0.430 0.612 4.190
240 HG2 ARG 34 HG2 ARG 34 -1.395 -0.998 5.795
241 HG3 ARG 34 HG1 ARG 34 0.236 -1.509 6.246
242 HD2 ARG 34 HD2 ARG 34 -0.850 1.299 6.487
243 HD3 ARG 34 HD1 ARG 34 -0.670 0.171 7.819
244 HE ARG 34 HE ARG 34 1.803 0.457 6.503
245 HH11 ARG 34 HH11 ARG 34 -0.362 2.240 8.597
246 HH12 ARG 34 HH12 ARG 34 0.894 3.236 9.255
247 HH21 ARG 34 HH21 ARG 34 3.452 1.763 7.346
248 HH22 ARG 34 HH22 ARG 34 3.075 2.976 8.530
249 H CYS 35 HN CYS 35 -0.592 -2.606 1.261
250 HA CYS 35 HA CYS 35 -1.633 -0.176 0.025
251 HB2 CYS 35 HB2 CYS 35 -0.077 -1.908 -1.170
252 HB3 CYS 35 HB1 CYS 35 -1.597 -2.745 -1.471
253 H ARG 36 HN ARG 36 -3.665 0.372 0.343
254 HA ARG 36 HA ARG 36 -5.721 -1.574 -0.345
255 HB2 ARG 36 HB2 ARG 36 -5.346 -0.428 2.324
256 HB3 ARG 36 HB1 ARG 36 -6.976 -0.297 1.705
257 HG2 ARG 36 HG2 ARG 36 -7.095 -2.695 1.431
258 HG3 ARG 36 HG1 ARG 36 -5.433 -2.873 1.972
259 HD2 ARG 36 HD2 ARG 36 -6.505 -1.394 3.991
260 HD3 ARG 36 HD1 ARG 36 -7.879 -2.360 3.477
261 HE ARG 36 HE ARG 36 -6.036 -4.234 3.803
262 HH11 ARG 36 HH11 ARG 36 -6.932 -1.548 5.861
263 HH12 ARG 36 HH12 ARG 36 -6.651 -2.418 7.332
264 HH21 ARG 36 HH21 ARG 36 -5.684 -5.392 5.767
265 HH22 ARG 36 HH22 ARG 36 -5.951 -4.585 7.280
266 H ASP 37 HN ASP 37 -7.952 -0.314 -0.257
267 HA ASP 37 HA ASP 37 -7.557 2.366 -1.389
268 HB2 ASP 37 HB2 ASP 37 -7.873 0.993 -3.302
269 HB3 ASP 37 HB1 ASP 37 -9.174 0.093 -2.528
270 H ASP 38 HN ASP 38 -10.313 0.227 -0.751
271 HA ASP 38 HA ASP 38 -12.049 2.220 0.159
272 HB2 ASP 38 HB2 ASP 38 -12.844 0.041 -0.584
273 HB3 ASP 38 HB1 ASP 38 -12.006 -0.747 0.747
274 H PHE 39 HN PHE 39 -9.812 0.130 1.816
275 HA PHE 39 HA PHE 39 -10.143 1.659 4.296
276 HB2 PHE 39 HB2 PHE 39 -8.351 -0.717 3.990
277 HB3 PHE 39 HB1 PHE 39 -9.144 -0.123 5.436
278 HD1 PHE 39 HD1 PHE 39 -11.479 -0.617 5.878
279 HD2 PHE 39 HD2 PHE 39 -9.494 -2.226 2.458
280 HE1 PHE 39 HE1 PHE 39 -13.291 -2.254 5.596
281 HE2 PHE 39 HE2 PHE 39 -11.312 -3.854 2.179
282 HZ PHE 39 HZ PHE 39 -13.208 -3.871 3.744
283 H ARG 40 HN ARG 40 -7.860 2.105 5.358
284 HA ARG 40 HA ARG 40 -6.245 3.168 3.141
285 HB2 ARG 40 HB2 ARG 40 -5.773 5.127 4.621
286 HB3 ARG 40 HB1 ARG 40 -7.457 4.981 4.149
287 HG2 ARG 40 HG2 ARG 40 -8.016 4.047 6.311
288 HG3 ARG 40 HG1 ARG 40 -6.320 4.099 6.792
289 HD2 ARG 40 HD2 ARG 40 -7.416 5.983 7.761
290 HD3 ARG 40 HD1 ARG 40 -6.378 6.565 6.462
291 HE ARG 40 HE ARG 40 -8.927 6.160 5.397
292 HH11 ARG 40 HH11 ARG 40 -7.330 8.220 7.734
293 HH12 ARG 40 HH12 ARG 40 -8.435 9.541 7.519
294 HH21 ARG 40 HH21 ARG 40 -10.385 7.908 5.109
295 HH22 ARG 40 HH22 ARG 40 -10.174 9.360 6.032
296 H CYS 41 HN CYS 41 -4.317 2.387 3.058
297 HA CYS 41 HA CYS 41 -2.843 1.792 5.513
298 HB2 CYS 41 HB2 CYS 41 -3.484 -0.001 3.224
299 HB3 CYS 41 HB1 CYS 41 -1.939 -0.208 4.019
300 H TRP 42 HN TRP 42 -0.627 2.409 5.485
301 HA TRP 42 HA TRP 42 0.407 3.881 3.193
302 HB2 TRP 42 HB2 TRP 42 1.625 3.300 5.900
303 HB3 TRP 42 HB1 TRP 42 2.362 4.316 4.674
304 HD1 TRP 42 HD1 TRP 42 -0.525 4.284 7.195
305 HE1 TRP 42 HE1 TRP 42 -1.269 6.714 7.602
306 HE3 TRP 42 HE3 TRP 42 2.324 6.617 3.654
307 HZ2 TRP 42 HZ2 TRP 42 -0.728 9.270 6.544
308 HZ3 TRP 42 HZ3 TRP 42 2.159 9.045 3.414
309 HH2 TRP 42 HH2 TRP 42 0.661 10.357 4.820
310 H CYS 43 HN CYS 43 1.261 2.558 1.525
311 HA CYS 43 HA CYS 43 3.094 0.433 2.414
312 HB2 CYS 43 HB2 CYS 43 1.336 -0.068 0.634
313 HB3 CYS 43 HB1 CYS 43 2.297 0.928 -0.464
314 H THR 44 HN THR 44 5.236 0.701 2.338
315 HA THR 44 HA THR 44 6.240 3.227 1.282
316 HB THR 44 HB THR 44 7.639 1.185 3.026
317 HG1 THR 44 HG1 THR 44 5.820 3.141 3.633
318 HG21 THR 44 HG21 THR 44 9.153 3.086 3.540
319 HG22 THR 44 HG22 THR 44 8.347 4.017 2.276
320 HG23 THR 44 HG23 THR 44 9.229 2.550 1.863
321 H ASN 45 HN ASN 45 7.540 3.301 -0.455
322 HA ASN 45 HA ASN 45 8.903 0.888 -1.345
323 HB2 ASN 45 HB2 ASN 45 6.582 1.221 -2.493
324 HB3 ASN 45 HB1 ASN 45 7.391 2.516 -3.358
325 HD21 ASN 45 HD21 ASN 45 8.808 -0.499 -2.310
326 HD22 ASN 45 HD22 ASN 45 9.146 -1.104 -3.898
327 H ARG 46 HN ARG 46 10.037 1.827 -3.665
328 HA ARG 46 HA ARG 46 11.583 4.106 -2.618
329 HB2 ARG 46 HB2 ARG 46 12.464 2.100 -4.695
330 HB3 ARG 46 HB1 ARG 46 13.459 3.283 -3.859
331 HG2 ARG 46 HG2 ARG 46 13.645 2.028 -1.994
332 HG3 ARG 46 HG1 ARG 46 12.031 1.331 -2.170
333 HD2 ARG 46 HD2 ARG 46 12.857 -0.041 -4.032
334 HD3 ARG 46 HD1 ARG 46 14.474 0.617 -3.785
335 HE ARG 46 HE ARG 46 14.310 -0.407 -1.495
336 HH11 ARG 46 HH11 ARG 46 12.506 -1.682 -4.212
337 HH12 ARG 46 HH12 ARG 46 12.459 -3.298 -3.589
338 HH21 ARG 46 HH21 ARG 46 14.256 -2.545 -0.669
339 HH22 ARG 46 HH22 ARG 46 13.464 -3.793 -1.579
340 H CYS 47 HN CYS 47 11.770 5.928 -3.823
341 HA CYS 47 HA CYS 47 10.488 5.878 -6.464
342 HB2 CYS 47 HB2 CYS 47 9.766 8.177 -6.093
343 HB3 CYS 47 HB1 CYS 47 9.149 7.127 -4.826
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 13.328 6.024 7.187
2 H2 LYS 1 HT2 LYS 1 12.963 7.216 6.046
3 H3 LYS 1 HT3 LYS 1 14.363 6.286 5.877
4 HA LYS 1 HA LYS 1 13.075 4.311 5.525
5 HB2 LYS 1 HB2 LYS 1 10.637 4.460 5.256
6 HB3 LYS 1 HB1 LYS 1 11.130 4.910 6.882
7 HG2 LYS 1 HG2 LYS 1 10.882 7.254 6.338
8 HG3 LYS 1 HG1 LYS 1 10.463 6.843 4.676
9 HD2 LYS 1 HD2 LYS 1 8.475 5.663 5.468
10 HD3 LYS 1 HD1 LYS 1 8.904 6.050 7.135
11 HE2 LYS 1 HE2 LYS 1 8.304 8.075 4.980
12 HE3 LYS 1 HE1 LYS 1 7.168 7.549 6.220
13 HZ1 LYS 1 HZ1 LYS 1 8.183 9.612 6.862
14 HZ2 LYS 1 HZ2 LYS 1 9.735 8.973 6.673
15 HZ3 LYS 1 HZ3 LYS 1 8.726 8.394 7.899
16 H THR 2 HN THR 2 11.447 4.110 3.467
17 HA THR 2 HA THR 2 12.672 5.780 1.396
18 HB THR 2 HB THR 2 11.997 4.106 -0.210
19 HG1 THR 2 HG1 THR 2 10.132 3.288 0.602
20 HG21 THR 2 HG21 THR 2 13.342 2.204 0.598
21 HG22 THR 2 HG22 THR 2 13.337 2.920 2.212
22 HG23 THR 2 HG23 THR 2 14.127 3.758 0.874
23 H CYS 3 HN CYS 3 10.983 5.832 -0.588
24 HA CYS 3 HA CYS 3 9.127 7.794 0.090
25 HB2 CYS 3 HB2 CYS 3 8.867 5.921 -2.269
26 HB3 CYS 3 HB1 CYS 3 8.261 7.569 -2.134
27 H GLU 4 HN GLU 4 7.452 7.559 1.376
28 HA GLU 4 HA GLU 4 5.881 5.079 1.210
29 HB2 GLU 4 HB2 GLU 4 6.940 5.317 3.394
30 HB3 GLU 4 HB1 GLU 4 6.290 6.946 3.553
31 HG2 GLU 4 HG2 GLU 4 3.987 5.948 3.447
32 HG3 GLU 4 HG1 GLU 4 4.750 4.351 3.559
33 H ASN 5 HN ASN 5 3.769 5.269 0.728
34 HA ASN 5 HA ASN 5 2.493 7.828 1.206
35 HB2 ASN 5 HB2 ASN 5 3.399 7.766 -1.198
36 HB3 ASN 5 HB1 ASN 5 2.132 6.577 -1.481
37 HD21 ASN 5 HD21 ASN 5 0.032 7.150 -1.397
38 HD22 ASN 5 HD22 ASN 5 -0.483 8.786 -1.359
39 H LEU 6 HN LEU 6 0.210 7.734 0.914
40 HA LEU 6 HA LEU 6 -0.719 5.251 2.067
41 HB2 LEU 6 HB2 LEU 6 -1.094 7.826 2.849
42 HB3 LEU 6 HB1 LEU 6 -2.587 7.508 1.985
43 HG LEU 6 HG LEU 6 -1.516 5.953 4.367
44 HD11 LEU 6 HD11 LEU 6 -3.587 6.799 5.433
45 HD12 LEU 6 HD12 LEU 6 -3.890 7.786 4.004
46 HD13 LEU 6 HD13 LEU 6 -2.464 8.085 4.995
47 HD21 LEU 6 HD21 LEU 6 -2.585 4.400 2.943
48 HD22 LEU 6 HD22 LEU 6 -3.935 5.504 2.641
49 HD23 LEU 6 HD23 LEU 6 -3.705 4.800 4.244
50 H SER 7 HN SER 7 -2.045 3.901 1.106
51 HA SER 7 HA SER 7 -3.169 4.640 -1.469
52 HB2 SER 7 HB2 SER 7 -3.643 2.160 -1.595
53 HB3 SER 7 HB1 SER 7 -1.940 2.596 -1.553
54 HG SER 7 HG SER 7 -1.959 2.094 0.692
55 H GLY 8 HN GLY 8 -5.232 5.126 -1.661
56 HA2 GLY 8 HA2 GLY 8 -7.409 3.859 -0.570
57 HA3 GLY 8 HA1 GLY 8 -6.995 5.119 0.587
58 H THR 9 HN THR 9 -9.107 6.028 0.044
59 HA THR 9 HA THR 9 -9.758 6.989 -2.488
60 HB THR 9 HB THR 9 -11.422 6.927 -0.739
61 HG1 THR 9 HG1 THR 9 -11.469 9.636 -0.955
62 HG21 THR 9 HG21 THR 9 -10.021 7.437 1.190
63 HG22 THR 9 HG22 THR 9 -11.419 8.510 1.134
64 HG23 THR 9 HG23 THR 9 -9.833 9.099 0.630
65 H PHE 10 HN PHE 10 -8.129 8.695 0.188
66 HA PHE 10 HA PHE 10 -7.148 10.695 -1.667
67 HB2 PHE 10 HB2 PHE 10 -5.929 11.484 0.506
68 HB3 PHE 10 HB1 PHE 10 -7.650 11.777 0.312
69 HD1 PHE 10 HD1 PHE 10 -9.223 10.832 1.755
70 HD2 PHE 10 HD2 PHE 10 -5.150 9.638 2.007
71 HE1 PHE 10 HE1 PHE 10 -9.692 9.707 3.893
72 HE2 PHE 10 HE2 PHE 10 -5.616 8.505 4.142
73 HZ PHE 10 HZ PHE 10 -7.886 8.537 5.084
74 H LYS 11 HN LYS 11 -4.973 11.015 -2.128
75 HA LYS 11 HA LYS 11 -2.763 10.605 -2.336
76 HB2 LYS 11 HB2 LYS 11 -3.377 8.953 0.034
77 HB3 LYS 11 HB1 LYS 11 -1.904 8.563 -0.825
78 HG2 LYS 11 HG2 LYS 11 -1.062 10.054 0.645
79 HG3 LYS 11 HG1 LYS 11 -1.551 11.187 -0.615
80 HD2 LYS 11 HD2 LYS 11 -3.604 11.669 0.546
81 HD3 LYS 11 HD1 LYS 11 -3.253 10.417 1.745
82 HE2 LYS 11 HE2 LYS 11 -1.300 11.657 2.496
83 HE3 LYS 11 HE1 LYS 11 -1.578 12.882 1.261
84 HZ1 LYS 11 HZ1 LYS 11 -2.380 13.586 3.426
85 HZ2 LYS 11 HZ2 LYS 11 -3.418 12.252 3.502
86 HZ3 LYS 11 HZ3 LYS 11 -3.661 13.445 2.331
87 H GLY 12 HN GLY 12 -5.070 8.808 -3.455
88 HA2 GLY 12 HA2 GLY 12 -4.940 7.499 -5.408
89 HA3 GLY 12 HA1 GLY 12 -3.244 7.202 -5.072
90 HA PRO 13 HA PRO 13 -6.211 3.918 -3.129
91 HB2 PRO 13 HB2 PRO 13 -7.587 2.708 -5.061
92 HB3 PRO 13 HB1 PRO 13 -8.124 4.252 -4.389
93 HG2 PRO 13 HG2 PRO 13 -6.611 3.718 -6.921
94 HG3 PRO 13 HG1 PRO 13 -8.016 4.769 -6.666
95 HD2 PRO 13 HD2 PRO 13 -5.440 5.674 -6.748
96 HD3 PRO 13 HD1 PRO 13 -6.732 6.476 -5.832
97 H CYS 14 HN CYS 14 -6.384 1.455 -3.588
98 HA CYS 14 HA CYS 14 -4.346 0.419 -5.371
99 HB2 CYS 14 HB2 CYS 14 -3.316 0.927 -3.060
100 HB3 CYS 14 HB1 CYS 14 -4.249 -0.448 -2.486
101 H ILE 15 HN ILE 15 -5.973 -1.121 -2.566
102 HA ILE 15 HA ILE 15 -7.801 -2.507 -4.376
103 HB ILE 15 HB ILE 15 -7.327 -4.707 -3.354
104 HG12 ILE 15 HG12 ILE 15 -4.839 -3.382 -2.255
105 HG13 ILE 15 HG11 ILE 15 -6.259 -3.785 -1.294
106 HG21 ILE 15 HG21 ILE 15 -4.976 -3.448 -4.759
107 HG22 ILE 15 HG22 ILE 15 -6.389 -4.173 -5.529
108 HG23 ILE 15 HG23 ILE 15 -5.274 -5.180 -4.604
109 HD11 ILE 15 HD11 ILE 15 -5.945 -6.135 -1.797
110 HD12 ILE 15 HD12 ILE 15 -4.513 -5.439 -1.040
111 HD13 ILE 15 HD13 ILE 15 -4.533 -5.742 -2.779
112 HA PRO 16 HA PRO 16 -10.268 -1.653 -0.817
113 HB2 PRO 16 HB2 PRO 16 -12.661 -2.359 -1.852
114 HB3 PRO 16 HB1 PRO 16 -11.776 -0.922 -2.374
115 HG2 PRO 16 HG2 PRO 16 -12.230 -3.454 -3.790
116 HG3 PRO 16 HG1 PRO 16 -11.783 -1.871 -4.435
117 HD2 PRO 16 HD2 PRO 16 -10.082 -4.136 -3.908
118 HD3 PRO 16 HD1 PRO 16 -9.645 -2.574 -4.620
119 H ASP 17 HN ASP 17 -8.938 -4.102 -0.392
120 HA ASP 17 HA ASP 17 -11.140 -5.812 0.574
121 HB2 ASP 17 HB2 ASP 17 -8.306 -6.627 -0.049
122 HB3 ASP 17 HB1 ASP 17 -9.578 -7.695 0.524
123 H GLY 18 HN GLY 18 -8.377 -3.978 1.536
124 HA2 GLY 18 HA2 GLY 18 -8.077 -3.233 3.759
125 HA3 GLY 18 HA1 GLY 18 -9.023 -4.593 4.323
126 H ASN 19 HN ASN 19 -7.069 -5.944 2.233
127 HA ASN 19 HA ASN 19 -5.197 -6.801 4.293
128 HB2 ASN 19 HB2 ASN 19 -4.660 -8.522 2.406
129 HB3 ASN 19 HB1 ASN 19 -6.159 -8.671 3.306
130 HD21 ASN 19 HD21 ASN 19 -5.584 -6.231 0.874
131 HD22 ASN 19 HD22 ASN 19 -6.738 -6.820 -0.262
132 H CYS 20 HN CYS 20 -4.310 -4.514 3.909
133 HA CYS 20 HA CYS 20 -3.182 -3.835 1.491
134 HB2 CYS 20 HB2 CYS 20 -2.147 -1.986 2.710
135 HB3 CYS 20 HB1 CYS 20 -3.838 -2.165 3.094
136 H ASN 21 HN ASN 21 -1.613 -5.190 4.396
137 HA ASN 21 HA ASN 21 1.020 -4.863 3.384
138 HB2 ASN 21 HB2 ASN 21 -0.145 -6.550 5.591
139 HB3 ASN 21 HB1 ASN 21 1.550 -6.694 5.145
140 HD21 ASN 21 HD21 ASN 21 -0.143 -3.673 4.919
141 HD22 ASN 21 HD22 ASN 21 0.624 -2.908 6.266
142 H LYS 22 HN LYS 22 -1.079 -7.745 3.448
143 HA LYS 22 HA LYS 22 0.881 -9.458 2.423
144 HB2 LYS 22 HB2 LYS 22 -0.862 -11.061 2.063
145 HB3 LYS 22 HB1 LYS 22 -1.188 -10.213 3.567
146 HG2 LYS 22 HG2 LYS 22 -2.804 -8.791 2.367
147 HG3 LYS 22 HG1 LYS 22 -2.512 -9.742 0.915
148 HD2 LYS 22 HD2 LYS 22 -4.498 -10.568 1.944
149 HD3 LYS 22 HD1 LYS 22 -3.225 -11.763 2.185
150 HE2 LYS 22 HE2 LYS 22 -2.903 -11.037 4.457
151 HE3 LYS 22 HE1 LYS 22 -4.029 -9.700 4.231
152 HZ1 LYS 22 HZ1 LYS 22 -5.825 -11.245 3.984
153 HZ2 LYS 22 HZ2 LYS 22 -4.999 -11.612 5.412
154 HZ3 LYS 22 HZ3 LYS 22 -4.773 -12.565 4.035
155 H HIS 23 HN HIS 23 -1.345 -7.283 0.800
156 HA HIS 23 HA HIS 23 -0.951 -8.395 -1.790
157 HB2 HIS 23 HB2 HIS 23 -2.844 -6.847 -1.153
158 HB3 HIS 23 HB1 HIS 23 -1.680 -5.525 -1.195
159 HD1 HIS 23 HD1 HIS 23 -1.123 -4.545 -3.471
160 HD2 HIS 23 HD2 HIS 23 -3.319 -8.070 -3.711
161 HE1 HIS 23 HE1 HIS 23 -1.758 -4.788 -5.888
162 HE2 HIS 23 HE2 HIS 23 -2.937 -7.009 -6.037
163 H CYS 24 HN CYS 24 0.422 -5.497 -0.213
164 HA CYS 24 HA CYS 24 2.222 -4.879 -2.291
165 HB2 CYS 24 HB2 CYS 24 1.902 -4.071 0.530
166 HB3 CYS 24 HB1 CYS 24 3.528 -3.994 -0.089
167 H ARG 25 HN ARG 25 2.411 -7.231 0.314
168 HA ARG 25 HA ARG 25 5.278 -7.468 -0.011
169 HB2 ARG 25 HB2 ARG 25 3.392 -9.048 1.700
170 HB3 ARG 25 HB1 ARG 25 5.129 -9.279 1.671
171 HG2 ARG 25 HG2 ARG 25 3.493 -7.201 2.922
172 HG3 ARG 25 HG1 ARG 25 4.993 -7.942 3.470
173 HD2 ARG 25 HD2 ARG 25 6.050 -6.567 1.498
174 HD3 ARG 25 HD1 ARG 25 4.573 -5.645 1.618
175 HE ARG 25 HE ARG 25 6.783 -5.284 3.199
176 HH11 ARG 25 HH11 ARG 25 3.365 -5.835 3.858
177 HH12 ARG 25 HH12 ARG 25 3.449 -5.175 5.459
178 HH21 ARG 25 HH21 ARG 25 6.855 -4.422 5.308
179 HH22 ARG 25 HH22 ARG 25 5.414 -4.388 6.275
180 H ASN 26 HN ASN 26 2.453 -9.528 -0.566
181 HA ASN 26 HA ASN 26 4.038 -11.738 -1.444
182 HB2 ASN 26 HB2 ASN 26 1.098 -11.159 -1.460
183 HB3 ASN 26 HB1 ASN 26 1.727 -12.530 -2.361
184 HD21 ASN 26 HD21 ASN 26 1.239 -11.153 0.762
185 HD22 ASN 26 HD22 ASN 26 1.524 -12.592 1.679
186 H ASN 27 HN ASN 27 2.382 -9.112 -3.026
187 HA ASN 27 HA ASN 27 2.790 -10.290 -5.631
188 HB2 ASN 27 HB2 ASN 27 1.584 -7.639 -4.830
189 HB3 ASN 27 HB1 ASN 27 1.627 -8.273 -6.473
190 HD21 ASN 27 HD21 ASN 27 0.232 -8.595 -3.304
191 HD22 ASN 27 HD22 ASN 27 -1.073 -9.641 -3.777
192 H GLU 28 HN GLU 28 3.851 -7.329 -3.936
193 HA GLU 28 HA GLU 28 5.861 -7.016 -6.064
194 HB2 GLU 28 HB2 GLU 28 4.000 -5.284 -5.725
195 HB3 GLU 28 HB1 GLU 28 4.871 -4.813 -4.274
196 HG2 GLU 28 HG2 GLU 28 5.460 -3.353 -6.075
197 HG3 GLU 28 HG1 GLU 28 6.854 -4.349 -5.658
198 H HIS 29 HN HIS 29 5.370 -7.267 -2.640
199 HA HIS 29 HA HIS 29 6.738 -7.624 -0.925
200 HB2 HIS 29 HB2 HIS 29 7.967 -9.179 -2.453
201 HB3 HIS 29 HB1 HIS 29 9.045 -7.843 -2.862
202 HD1 HIS 29 HD1 HIS 29 7.750 -9.291 0.412
203 HD2 HIS 29 HD2 HIS 29 11.294 -8.014 -1.343
204 HE1 HIS 29 HE1 HIS 29 9.458 -9.365 2.235
205 HE2 HIS 29 HE2 HIS 29 11.614 -8.618 1.154
206 H LEU 30 HN LEU 30 6.027 -5.145 -1.157
207 HA LEU 30 HA LEU 30 8.337 -3.424 -1.295
208 HB2 LEU 30 HB2 LEU 30 5.547 -2.691 -0.454
209 HB3 LEU 30 HB1 LEU 30 6.845 -1.589 -0.857
210 HG LEU 30 HG LEU 30 5.247 -3.342 -2.702
211 HD11 LEU 30 HD11 LEU 30 4.324 -1.172 -2.254
212 HD12 LEU 30 HD12 LEU 30 4.969 -1.198 -3.897
213 HD13 LEU 30 HD13 LEU 30 5.869 -0.401 -2.605
214 HD21 LEU 30 HD21 LEU 30 6.773 -2.633 -4.509
215 HD22 LEU 30 HD22 LEU 30 7.541 -3.706 -3.339
216 HD23 LEU 30 HD23 LEU 30 7.865 -1.972 -3.292
217 H LEU 31 HN LEU 31 7.870 -1.566 0.697
218 HA LEU 31 HA LEU 31 9.289 -3.103 2.718
219 HB2 LEU 31 HB2 LEU 31 9.024 -0.122 2.547
220 HB3 LEU 31 HB1 LEU 31 10.280 -1.052 3.350
221 HG LEU 31 HG LEU 31 9.796 -0.836 0.386
222 HD11 LEU 31 HD11 LEU 31 12.115 0.027 2.118
223 HD12 LEU 31 HD12 LEU 31 10.921 1.094 1.379
224 HD13 LEU 31 HD13 LEU 31 12.033 0.173 0.364
225 HD21 LEU 31 HD21 LEU 31 10.451 -3.089 0.864
226 HD22 LEU 31 HD22 LEU 31 11.779 -2.539 1.888
227 HD23 LEU 31 HD23 LEU 31 11.821 -2.238 0.150
228 H SER 32 HN SER 32 6.638 -0.686 2.704
229 HA SER 32 HA SER 32 6.075 -1.468 5.497
230 HB2 SER 32 HB2 SER 32 6.071 1.013 4.718
231 HB3 SER 32 HB1 SER 32 4.548 0.611 3.946
232 HG SER 32 HG SER 32 4.876 -0.074 6.633
233 H GLY 33 HN GLY 33 5.071 -1.715 2.299
234 HA2 GLY 33 HA2 GLY 33 3.600 -2.986 1.234
235 HA3 GLY 33 HA1 GLY 33 3.600 -4.040 2.625
236 H ARG 34 HN ARG 34 2.454 -0.762 3.111
237 HA ARG 34 HA ARG 34 -0.119 -1.912 3.743
238 HB2 ARG 34 HB2 ARG 34 1.435 0.490 4.229
239 HB3 ARG 34 HB1 ARG 34 -0.258 0.869 4.022
240 HG2 ARG 34 HG2 ARG 34 -0.787 -0.677 5.867
241 HG3 ARG 34 HG1 ARG 34 0.936 -1.041 6.040
242 HD2 ARG 34 HD2 ARG 34 1.430 1.214 6.644
243 HD3 ARG 34 HD1 ARG 34 -0.195 1.754 6.220
244 HE ARG 34 HE ARG 34 -0.715 0.002 8.162
245 HH11 ARG 34 HH11 ARG 34 1.754 2.484 7.995
246 HH12 ARG 34 HH12 ARG 34 1.643 2.885 9.678
247 HH21 ARG 34 HH21 ARG 34 -0.859 0.526 10.381
248 HH22 ARG 34 HH22 ARG 34 0.158 1.771 11.037
249 H CYS 35 HN CYS 35 -0.546 -2.568 1.329
250 HA CYS 35 HA CYS 35 -1.638 -0.327 -0.198
251 HB2 CYS 35 HB2 CYS 35 -0.462 -1.443 -1.771
252 HB3 CYS 35 HB1 CYS 35 -0.636 -2.987 -0.947
253 H ARG 36 HN ARG 36 -3.740 0.262 0.158
254 HA ARG 36 HA ARG 36 -5.647 -1.644 -0.816
255 HB2 ARG 36 HB2 ARG 36 -7.254 -1.223 1.156
256 HB3 ARG 36 HB1 ARG 36 -6.014 -2.448 1.314
257 HG2 ARG 36 HG2 ARG 36 -4.641 -0.641 2.442
258 HG3 ARG 36 HG1 ARG 36 -6.147 0.260 2.558
259 HD2 ARG 36 HD2 ARG 36 -7.127 -1.807 3.619
260 HD3 ARG 36 HD1 ARG 36 -5.500 -2.431 3.766
261 HE ARG 36 HE ARG 36 -5.666 0.180 4.853
262 HH11 ARG 36 HH11 ARG 36 -6.514 -3.144 5.625
263 HH12 ARG 36 HH12 ARG 36 -6.572 -2.848 7.332
264 HH21 ARG 36 HH21 ARG 36 -5.749 0.539 7.101
265 HH22 ARG 36 HH22 ARG 36 -6.142 -0.774 8.163
266 H ASP 37 HN ASP 37 -8.015 -0.543 -0.465
267 HA ASP 37 HA ASP 37 -7.711 2.165 -1.588
268 HB2 ASP 37 HB2 ASP 37 -8.215 0.813 -3.449
269 HB3 ASP 37 HB1 ASP 37 -9.381 -0.144 -2.544
270 H ASP 38 HN ASP 38 -10.496 0.145 -0.708
271 HA ASP 38 HA ASP 38 -12.092 2.179 0.290
272 HB2 ASP 38 HB2 ASP 38 -12.904 -0.087 -0.215
273 HB3 ASP 38 HB1 ASP 38 -12.012 -0.713 1.166
274 H PHE 39 HN PHE 39 -9.797 0.100 1.928
275 HA PHE 39 HA PHE 39 -9.932 1.801 4.313
276 HB2 PHE 39 HB2 PHE 39 -8.363 -0.738 3.988
277 HB3 PHE 39 HB1 PHE 39 -8.870 0.022 5.482
278 HD1 PHE 39 HD1 PHE 39 -11.257 -0.059 6.145
279 HD2 PHE 39 HD2 PHE 39 -9.755 -2.301 2.839
280 HE1 PHE 39 HE1 PHE 39 -13.261 -1.483 6.204
281 HE2 PHE 39 HE2 PHE 39 -11.764 -3.717 2.898
282 HZ PHE 39 HZ PHE 39 -13.518 -3.313 4.578
283 H ARG 40 HN ARG 40 -7.588 2.257 5.237
284 HA ARG 40 HA ARG 40 -6.047 3.096 2.872
285 HB2 ARG 40 HB2 ARG 40 -6.523 4.716 5.385
286 HB3 ARG 40 HB1 ARG 40 -5.545 5.216 4.015
287 HG2 ARG 40 HG2 ARG 40 -7.507 6.335 3.614
288 HG3 ARG 40 HG1 ARG 40 -7.741 4.869 2.662
289 HD2 ARG 40 HD2 ARG 40 -8.919 3.910 4.694
290 HD3 ARG 40 HD1 ARG 40 -8.901 5.545 5.352
291 HE ARG 40 HE ARG 40 -10.072 5.166 2.708
292 HH11 ARG 40 HH11 ARG 40 -10.565 5.667 6.137
293 HH12 ARG 40 HH12 ARG 40 -12.223 6.145 5.955
294 HH21 ARG 40 HH21 ARG 40 -12.253 5.788 2.467
295 HH22 ARG 40 HH22 ARG 40 -13.179 6.230 3.871
296 H CYS 41 HN CYS 41 -4.076 2.413 2.823
297 HA CYS 41 HA CYS 41 -2.574 2.030 5.318
298 HB2 CYS 41 HB2 CYS 41 -3.354 0.072 3.308
299 HB3 CYS 41 HB1 CYS 41 -1.654 0.014 3.668
300 H TRP 42 HN TRP 42 -0.434 2.838 5.240
301 HA TRP 42 HA TRP 42 0.562 4.158 2.867
302 HB2 TRP 42 HB2 TRP 42 1.920 3.646 5.518
303 HB3 TRP 42 HB1 TRP 42 2.496 4.736 4.271
304 HD1 TRP 42 HD1 TRP 42 -0.132 4.451 7.031
305 HE1 TRP 42 HE1 TRP 42 -1.063 6.800 7.524
306 HE3 TRP 42 HE3 TRP 42 2.088 7.020 3.215
307 HZ2 TRP 42 HZ2 TRP 42 -0.892 9.398 6.421
308 HZ3 TRP 42 HZ3 TRP 42 1.651 9.416 2.999
309 HH2 TRP 42 HH2 TRP 42 0.195 10.591 4.571
310 H CYS 43 HN CYS 43 1.372 2.749 1.197
311 HA CYS 43 HA CYS 43 3.154 0.611 2.117
312 HB2 CYS 43 HB2 CYS 43 1.449 0.294 0.156
313 HB3 CYS 43 HB1 CYS 43 2.674 1.127 -0.800
314 H THR 44 HN THR 44 5.216 0.923 2.326
315 HA THR 44 HA THR 44 6.486 3.265 1.145
316 HB THR 44 HB THR 44 7.721 1.365 3.136
317 HG1 THR 44 HG1 THR 44 6.755 3.664 4.215
318 HG21 THR 44 HG21 THR 44 9.331 2.825 2.194
319 HG22 THR 44 HG22 THR 44 8.937 3.468 3.789
320 HG23 THR 44 HG23 THR 44 8.259 4.217 2.341
321 H ASN 45 HN ASN 45 7.996 3.157 -0.387
322 HA ASN 45 HA ASN 45 9.700 0.878 -0.757
323 HB2 ASN 45 HB2 ASN 45 7.623 0.191 -1.989
324 HB3 ASN 45 HB1 ASN 45 7.821 1.599 -3.026
325 HD21 ASN 45 HD21 ASN 45 9.257 -1.450 -2.044
326 HD22 ASN 45 HD22 ASN 45 10.204 -1.678 -3.478
327 H ARG 46 HN ARG 46 10.999 1.446 -3.019
328 HA ARG 46 HA ARG 46 11.914 4.164 -2.495
329 HB2 ARG 46 HB2 ARG 46 13.189 2.156 -4.356
330 HB3 ARG 46 HB1 ARG 46 13.911 3.602 -3.679
331 HG2 ARG 46 HG2 ARG 46 14.866 2.093 -2.308
332 HG3 ARG 46 HG1 ARG 46 13.370 2.351 -1.409
333 HD2 ARG 46 HD2 ARG 46 12.383 0.401 -2.471
334 HD3 ARG 46 HD1 ARG 46 13.858 0.141 -3.397
335 HE ARG 46 HE ARG 46 14.538 0.205 -0.693
336 HH11 ARG 46 HH11 ARG 46 12.715 -1.800 -2.900
337 HH12 ARG 46 HH12 ARG 46 13.013 -3.264 -2.025
338 HH21 ARG 46 HH21 ARG 46 14.946 -1.718 0.463
339 HH22 ARG 46 HH22 ARG 46 14.303 -3.219 -0.114
340 H CYS 47 HN CYS 47 11.441 5.821 -3.818
341 HA CYS 47 HA CYS 47 10.221 5.145 -6.397
342 HB2 CYS 47 HB2 CYS 47 9.068 7.288 -6.311
343 HB3 CYS 47 HB1 CYS 47 8.728 6.357 -4.862
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 11.960 5.971 7.598
2 H2 LYS 1 HT2 LYS 1 11.973 7.201 6.443
3 H3 LYS 1 HT3 LYS 1 13.296 6.164 6.584
4 HA LYS 1 HA LYS 1 11.950 4.296 5.881
5 HB2 LYS 1 HB2 LYS 1 9.842 6.440 5.626
6 HB3 LYS 1 HB1 LYS 1 9.728 4.893 4.810
7 HG2 LYS 1 HG2 LYS 1 9.896 3.837 7.104
8 HG3 LYS 1 HG1 LYS 1 9.623 5.461 7.749
9 HD2 LYS 1 HD2 LYS 1 7.563 5.584 6.323
10 HD3 LYS 1 HD1 LYS 1 7.810 3.885 5.924
11 HE2 LYS 1 HE2 LYS 1 6.229 3.925 7.674
12 HE3 LYS 1 HE1 LYS 1 7.753 3.417 8.401
13 HZ1 LYS 1 HZ1 LYS 1 6.598 5.053 9.756
14 HZ2 LYS 1 HZ2 LYS 1 6.641 6.167 8.487
15 HZ3 LYS 1 HZ3 LYS 1 8.081 5.659 9.213
16 H THR 2 HN THR 2 11.084 4.078 3.553
17 HA THR 2 HA THR 2 12.409 5.988 1.764
18 HB THR 2 HB THR 2 12.171 4.390 -0.016
19 HG1 THR 2 HG1 THR 2 10.365 3.278 0.301
20 HG21 THR 2 HG21 THR 2 13.208 3.029 2.472
21 HG22 THR 2 HG22 THR 2 14.122 4.129 1.440
22 HG23 THR 2 HG23 THR 2 13.583 2.574 0.809
23 H CYS 3 HN CYS 3 10.931 5.932 -0.433
24 HA CYS 3 HA CYS 3 8.977 7.830 0.081
25 HB2 CYS 3 HB2 CYS 3 8.773 6.012 -2.297
26 HB3 CYS 3 HB1 CYS 3 8.508 7.751 -2.200
27 H GLU 4 HN GLU 4 7.115 7.600 1.145
28 HA GLU 4 HA GLU 4 5.590 5.115 0.787
29 HB2 GLU 4 HB2 GLU 4 6.694 4.915 2.930
30 HB3 GLU 4 HB1 GLU 4 6.167 6.522 3.400
31 HG2 GLU 4 HG2 GLU 4 3.805 5.701 3.245
32 HG3 GLU 4 HG1 GLU 4 4.455 4.078 3.016
33 H ASN 5 HN ASN 5 3.469 5.368 0.493
34 HA ASN 5 HA ASN 5 2.263 7.881 1.377
35 HB2 ASN 5 HB2 ASN 5 0.981 8.171 -0.618
36 HB3 ASN 5 HB1 ASN 5 2.658 8.007 -1.094
37 HD21 ASN 5 HD21 ASN 5 -0.471 6.493 -1.026
38 HD22 ASN 5 HD22 ASN 5 -0.128 5.291 -2.230
39 H LEU 6 HN LEU 6 0.064 7.757 1.790
40 HA LEU 6 HA LEU 6 -0.856 5.128 2.590
41 HB2 LEU 6 HB2 LEU 6 -1.175 7.601 3.673
42 HB3 LEU 6 HB1 LEU 6 -2.667 7.459 2.765
43 HG LEU 6 HG LEU 6 -1.702 5.599 4.981
44 HD11 LEU 6 HD11 LEU 6 -2.598 7.733 5.758
45 HD12 LEU 6 HD12 LEU 6 -3.720 6.421 6.118
46 HD13 LEU 6 HD13 LEU 6 -4.044 7.513 4.772
47 HD21 LEU 6 HD21 LEU 6 -3.887 4.513 4.687
48 HD22 LEU 6 HD22 LEU 6 -2.803 4.285 3.318
49 HD23 LEU 6 HD23 LEU 6 -4.140 5.445 3.208
50 H SER 7 HN SER 7 -2.391 3.982 1.487
51 HA SER 7 HA SER 7 -2.889 4.958 -1.213
52 HB2 SER 7 HB2 SER 7 -3.470 2.475 -1.560
53 HB3 SER 7 HB1 SER 7 -1.782 2.888 -1.264
54 HG SER 7 HG SER 7 -2.020 2.221 0.865
55 H GLY 8 HN GLY 8 -4.890 4.660 -2.244
56 HA2 GLY 8 HA2 GLY 8 -7.149 3.843 -2.232
57 HA3 GLY 8 HA1 GLY 8 -7.196 4.102 -0.495
58 H THR 9 HN THR 9 -8.534 5.687 -0.023
59 HA THR 9 HA THR 9 -9.238 7.816 -1.720
60 HB THR 9 HB THR 9 -10.545 7.184 0.306
61 HG1 THR 9 HG1 THR 9 -11.017 9.201 -0.458
62 HG21 THR 9 HG21 THR 9 -9.814 8.040 2.506
63 HG22 THR 9 HG22 THR 9 -8.262 8.490 1.793
64 HG23 THR 9 HG23 THR 9 -8.739 6.793 1.874
65 H PHE 10 HN PHE 10 -6.582 7.212 0.374
66 HA PHE 10 HA PHE 10 -5.477 9.879 0.150
67 HB2 PHE 10 HB2 PHE 10 -4.533 7.335 1.467
68 HB3 PHE 10 HB1 PHE 10 -3.532 8.776 1.366
69 HD1 PHE 10 HD1 PHE 10 -6.464 7.256 2.911
70 HD2 PHE 10 HD2 PHE 10 -4.006 10.706 2.665
71 HE1 PHE 10 HE1 PHE 10 -7.482 8.113 4.985
72 HE2 PHE 10 HE2 PHE 10 -5.014 11.583 4.739
73 HZ PHE 10 HZ PHE 10 -6.754 10.283 5.902
74 H LYS 11 HN LYS 11 -4.235 10.462 -1.508
75 HA LYS 11 HA LYS 11 -2.541 10.465 -3.003
76 HB2 LYS 11 HB2 LYS 11 -1.575 8.424 -1.014
77 HB3 LYS 11 HB1 LYS 11 -0.568 9.023 -2.316
78 HG2 LYS 11 HG2 LYS 11 0.036 10.290 -0.460
79 HG3 LYS 11 HG1 LYS 11 -1.013 11.348 -1.386
80 HD2 LYS 11 HD2 LYS 11 -2.874 10.695 0.118
81 HD3 LYS 11 HD1 LYS 11 -1.728 9.784 1.108
82 HE2 LYS 11 HE2 LYS 11 -0.462 11.834 1.515
83 HE3 LYS 11 HE1 LYS 11 -1.585 12.744 0.510
84 HZ1 LYS 11 HZ1 LYS 11 -2.057 12.997 2.868
85 HZ2 LYS 11 HZ2 LYS 11 -2.295 11.332 3.022
86 HZ3 LYS 11 HZ3 LYS 11 -3.345 12.252 2.068
87 H GLY 12 HN GLY 12 -4.726 8.512 -3.679
88 HA2 GLY 12 HA2 GLY 12 -4.697 7.551 -5.920
89 HA3 GLY 12 HA1 GLY 12 -3.096 6.933 -5.569
90 HA PRO 13 HA PRO 13 -6.893 4.145 -4.068
91 HB2 PRO 13 HB2 PRO 13 -7.195 3.225 -6.859
92 HB3 PRO 13 HB1 PRO 13 -8.432 3.604 -5.657
93 HG2 PRO 13 HG2 PRO 13 -7.970 5.235 -7.718
94 HG3 PRO 13 HG1 PRO 13 -8.357 5.875 -6.110
95 HD2 PRO 13 HD2 PRO 13 -5.704 5.677 -7.481
96 HD3 PRO 13 HD1 PRO 13 -6.372 6.993 -6.492
97 H CYS 14 HN CYS 14 -7.015 1.725 -4.247
98 HA CYS 14 HA CYS 14 -4.829 0.380 -5.536
99 HB2 CYS 14 HB2 CYS 14 -3.672 1.117 -3.537
100 HB3 CYS 14 HB1 CYS 14 -4.946 0.458 -2.518
101 H ILE 15 HN ILE 15 -6.492 -0.754 -2.594
102 HA ILE 15 HA ILE 15 -8.122 -2.583 -4.188
103 HB ILE 15 HB ILE 15 -7.320 -4.536 -2.852
104 HG12 ILE 15 HG12 ILE 15 -5.011 -2.698 -2.197
105 HG13 ILE 15 HG11 ILE 15 -6.268 -3.146 -1.055
106 HG21 ILE 15 HG21 ILE 15 -5.267 -3.223 -4.630
107 HG22 ILE 15 HG22 ILE 15 -6.621 -4.217 -5.167
108 HG23 ILE 15 HG23 ILE 15 -5.326 -4.934 -4.210
109 HD11 ILE 15 HD11 ILE 15 -4.253 -4.957 -2.345
110 HD12 ILE 15 HD12 ILE 15 -5.603 -5.512 -1.362
111 HD13 ILE 15 HD13 ILE 15 -4.355 -4.494 -0.646
112 HA PRO 16 HA PRO 16 -10.644 -1.842 -0.619
113 HB2 PRO 16 HB2 PRO 16 -12.890 -3.011 -1.519
114 HB3 PRO 16 HB1 PRO 16 -12.263 -1.514 -2.216
115 HG2 PRO 16 HG2 PRO 16 -12.284 -4.242 -3.334
116 HG3 PRO 16 HG1 PRO 16 -12.182 -2.685 -4.168
117 HD2 PRO 16 HD2 PRO 16 -10.048 -4.497 -3.515
118 HD3 PRO 16 HD1 PRO 16 -9.945 -2.947 -4.366
119 H ASP 17 HN ASP 17 -9.086 -4.600 -1.002
120 HA ASP 17 HA ASP 17 -10.871 -6.475 0.259
121 HB2 ASP 17 HB2 ASP 17 -7.905 -6.754 -0.230
122 HB3 ASP 17 HB1 ASP 17 -9.040 -8.051 0.121
123 H GLY 18 HN GLY 18 -8.460 -4.235 1.343
124 HA2 GLY 18 HA2 GLY 18 -8.119 -3.456 3.477
125 HA3 GLY 18 HA1 GLY 18 -9.371 -4.543 4.034
126 H ASN 19 HN ASN 19 -6.564 -5.651 2.330
127 HA ASN 19 HA ASN 19 -5.583 -7.039 4.718
128 HB2 ASN 19 HB2 ASN 19 -4.260 -8.312 3.034
129 HB3 ASN 19 HB1 ASN 19 -6.000 -8.418 2.764
130 HD21 ASN 19 HD21 ASN 19 -6.921 -7.030 1.175
131 HD22 ASN 19 HD22 ASN 19 -5.986 -6.483 -0.167
132 H CYS 20 HN CYS 20 -4.751 -4.869 2.163
133 HA CYS 20 HA CYS 20 -3.022 -3.758 1.473
134 HB2 CYS 20 HB2 CYS 20 -2.161 -2.087 2.908
135 HB3 CYS 20 HB1 CYS 20 -3.851 -2.325 3.225
136 H ASN 21 HN ASN 21 -1.539 -4.884 4.521
137 HA ASN 21 HA ASN 21 1.039 -4.755 3.646
138 HB2 ASN 21 HB2 ASN 21 -0.231 -6.628 5.611
139 HB3 ASN 21 HB1 ASN 21 1.496 -6.667 5.300
140 HD21 ASN 21 HD21 ASN 21 1.542 -3.746 4.862
141 HD22 ASN 21 HD22 ASN 21 1.435 -3.066 6.444
142 H LYS 22 HN LYS 22 -0.872 -7.781 3.583
143 HA LYS 22 HA LYS 22 1.184 -9.222 2.350
144 HB2 LYS 22 HB2 LYS 22 -0.433 -10.982 1.979
145 HB3 LYS 22 HB1 LYS 22 -0.603 -10.310 3.591
146 HG2 LYS 22 HG2 LYS 22 -2.536 -8.976 2.769
147 HG3 LYS 22 HG1 LYS 22 -2.387 -9.818 1.222
148 HD2 LYS 22 HD2 LYS 22 -2.689 -11.964 2.362
149 HD3 LYS 22 HD1 LYS 22 -2.852 -11.121 3.900
150 HE2 LYS 22 HE2 LYS 22 -4.880 -10.066 3.182
151 HE3 LYS 22 HE1 LYS 22 -4.672 -10.692 1.540
152 HZ1 LYS 22 HZ1 LYS 22 -5.144 -12.328 3.974
153 HZ2 LYS 22 HZ2 LYS 22 -4.924 -12.939 2.413
154 HZ3 LYS 22 HZ3 LYS 22 -6.280 -11.993 2.767
155 H HIS 23 HN HIS 23 -1.282 -7.176 0.903
156 HA HIS 23 HA HIS 23 -1.070 -8.275 -1.705
157 HB2 HIS 23 HB2 HIS 23 -2.899 -6.706 -0.951
158 HB3 HIS 23 HB1 HIS 23 -1.729 -5.395 -1.088
159 HD1 HIS 23 HD1 HIS 23 -1.227 -4.508 -3.433
160 HD2 HIS 23 HD2 HIS 23 -3.640 -7.891 -3.438
161 HE1 HIS 23 HE1 HIS 23 -2.049 -4.751 -5.794
162 HE2 HIS 23 HE2 HIS 23 -3.402 -6.877 -5.802
163 H CYS 24 HN CYS 24 0.348 -5.265 -0.389
164 HA CYS 24 HA CYS 24 2.075 -4.780 -2.540
165 HB2 CYS 24 HB2 CYS 24 2.075 -4.002 0.332
166 HB3 CYS 24 HB1 CYS 24 3.570 -3.813 -0.562
167 H ARG 25 HN ARG 25 2.543 -6.683 0.425
168 HA ARG 25 HA ARG 25 5.366 -6.892 -0.031
169 HB2 ARG 25 HB2 ARG 25 3.668 -8.328 2.004
170 HB3 ARG 25 HB1 ARG 25 5.417 -8.138 2.037
171 HG2 ARG 25 HG2 ARG 25 3.469 -5.860 2.129
172 HG3 ARG 25 HG1 ARG 25 4.215 -6.596 3.547
173 HD2 ARG 25 HD2 ARG 25 6.143 -5.891 1.496
174 HD3 ARG 25 HD1 ARG 25 5.235 -4.483 2.074
175 HE ARG 25 HE ARG 25 6.090 -4.857 4.246
176 HH11 ARG 25 HH11 ARG 25 7.393 -7.152 1.936
177 HH12 ARG 25 HH12 ARG 25 8.707 -7.617 2.962
178 HH21 ARG 25 HH21 ARG 25 7.811 -5.483 5.585
179 HH22 ARG 25 HH22 ARG 25 8.940 -6.679 5.035
180 H ASN 26 HN ASN 26 2.628 -9.112 -0.411
181 HA ASN 26 HA ASN 26 4.402 -11.336 -0.962
182 HB2 ASN 26 HB2 ASN 26 1.400 -11.051 -1.085
183 HB3 ASN 26 HB1 ASN 26 2.233 -12.506 -1.605
184 HD21 ASN 26 HD21 ASN 26 3.427 -10.656 1.056
185 HD22 ASN 26 HD22 ASN 26 2.971 -11.763 2.303
186 H ASN 27 HN ASN 27 2.432 -9.069 -2.764
187 HA ASN 27 HA ASN 27 2.867 -10.491 -5.239
188 HB2 ASN 27 HB2 ASN 27 1.442 -7.883 -4.693
189 HB3 ASN 27 HB1 ASN 27 1.494 -8.694 -6.253
190 HD21 ASN 27 HD21 ASN 27 0.180 -8.713 -3.049
191 HD22 ASN 27 HD22 ASN 27 -1.029 -9.924 -3.332
192 H GLU 28 HN GLU 28 3.742 -7.302 -3.898
193 HA GLU 28 HA GLU 28 5.544 -6.946 -6.198
194 HB2 GLU 28 HB2 GLU 28 3.622 -5.297 -5.542
195 HB3 GLU 28 HB1 GLU 28 4.766 -4.737 -4.333
196 HG2 GLU 28 HG2 GLU 28 4.904 -3.336 -6.262
197 HG3 GLU 28 HG1 GLU 28 6.390 -4.279 -6.132
198 H HIS 29 HN HIS 29 5.393 -7.199 -2.758
199 HA HIS 29 HA HIS 29 6.946 -7.620 -1.202
200 HB2 HIS 29 HB2 HIS 29 8.041 -8.912 -3.160
201 HB3 HIS 29 HB1 HIS 29 9.141 -7.542 -3.264
202 HD1 HIS 29 HD1 HIS 29 10.449 -7.013 -0.907
203 HD2 HIS 29 HD2 HIS 29 8.797 -10.800 -1.366
204 HE1 HIS 29 HE1 HIS 29 11.567 -8.452 0.821
205 HE2 HIS 29 HE2 HIS 29 10.700 -10.777 0.388
206 H LEU 30 HN LEU 30 6.109 -5.018 -1.600
207 HA LEU 30 HA LEU 30 8.376 -3.275 -1.708
208 HB2 LEU 30 HB2 LEU 30 5.676 -2.562 -0.600
209 HB3 LEU 30 HB1 LEU 30 6.915 -1.474 -1.178
210 HG LEU 30 HG LEU 30 5.100 -3.251 -2.789
211 HD11 LEU 30 HD11 LEU 30 5.691 -0.302 -2.899
212 HD12 LEU 30 HD12 LEU 30 4.281 -1.026 -2.132
213 HD13 LEU 30 HD13 LEU 30 4.510 -1.166 -3.880
214 HD21 LEU 30 HD21 LEU 30 7.550 -1.788 -3.763
215 HD22 LEU 30 HD22 LEU 30 6.349 -2.581 -4.780
216 HD23 LEU 30 HD23 LEU 30 7.346 -3.537 -3.686
217 H LEU 31 HN LEU 31 7.932 -1.496 0.442
218 HA LEU 31 HA LEU 31 9.432 -3.122 2.341
219 HB2 LEU 31 HB2 LEU 31 9.080 -0.143 2.401
220 HB3 LEU 31 HB1 LEU 31 10.340 -1.099 3.167
221 HG LEU 31 HG LEU 31 9.957 -0.603 0.226
222 HD11 LEU 31 HD11 LEU 31 11.034 1.206 1.431
223 HD12 LEU 31 HD12 LEU 31 12.186 0.380 0.381
224 HD13 LEU 31 HD13 LEU 31 12.198 0.073 2.117
225 HD21 LEU 31 HD21 LEU 31 11.992 -1.976 -0.078
226 HD22 LEU 31 HD22 LEU 31 10.587 -2.892 0.469
227 HD23 LEU 31 HD23 LEU 31 11.866 -2.471 1.611
228 H SER 32 HN SER 32 6.770 -0.721 2.579
229 HA SER 32 HA SER 32 6.214 -1.833 5.260
230 HB2 SER 32 HB2 SER 32 5.458 0.672 3.842
231 HB3 SER 32 HB1 SER 32 4.436 0.087 5.138
232 HG SER 32 HG SER 32 6.501 1.562 5.428
233 H GLY 33 HN GLY 33 4.796 -1.413 2.148
234 HA2 GLY 33 HA2 GLY 33 3.486 -2.872 1.009
235 HA3 GLY 33 HA1 GLY 33 3.541 -3.950 2.378
236 H ARG 34 HN ARG 34 2.333 -0.830 3.163
237 HA ARG 34 HA ARG 34 -0.231 -2.024 3.704
238 HB2 ARG 34 HB2 ARG 34 1.307 0.369 4.337
239 HB3 ARG 34 HB1 ARG 34 -0.405 0.699 4.228
240 HG2 ARG 34 HG2 ARG 34 -0.782 -1.022 5.969
241 HG3 ARG 34 HG1 ARG 34 0.969 -1.264 6.067
242 HD2 ARG 34 HD2 ARG 34 -0.466 1.358 6.529
243 HD3 ARG 34 HD1 ARG 34 0.148 0.316 7.799
244 HE ARG 34 HE ARG 34 1.885 1.593 5.782
245 HH11 ARG 34 HH11 ARG 34 1.306 0.532 9.069
246 HH12 ARG 34 HH12 ARG 34 2.755 1.257 9.687
247 HH21 ARG 34 HH21 ARG 34 3.789 2.577 6.595
248 HH22 ARG 34 HH22 ARG 34 4.164 2.405 8.286
249 H CYS 35 HN CYS 35 -0.726 -2.427 1.247
250 HA CYS 35 HA CYS 35 -1.752 0.002 -0.053
251 HB2 CYS 35 HB2 CYS 35 -0.300 -1.883 -1.166
252 HB3 CYS 35 HB1 CYS 35 -1.865 -2.659 -1.379
253 H ARG 36 HN ARG 36 -3.913 0.572 0.346
254 HA ARG 36 HA ARG 36 -5.881 -1.463 -0.358
255 HB2 ARG 36 HB2 ARG 36 -6.488 0.396 1.924
256 HB3 ARG 36 HB1 ARG 36 -7.365 -1.038 1.416
257 HG2 ARG 36 HG2 ARG 36 -5.466 -2.411 2.142
258 HG3 ARG 36 HG1 ARG 36 -4.694 -0.936 2.701
259 HD2 ARG 36 HD2 ARG 36 -6.436 -0.559 4.305
260 HD3 ARG 36 HD1 ARG 36 -7.334 -1.930 3.673
261 HE ARG 36 HE ARG 36 -4.900 -2.929 4.490
262 HH11 ARG 36 HH11 ARG 36 -7.584 -1.257 5.998
263 HH12 ARG 36 HH12 ARG 36 -7.347 -2.014 7.539
264 HH21 ARG 36 HH21 ARG 36 -4.595 -3.932 6.528
265 HH22 ARG 36 HH22 ARG 36 -5.667 -3.537 7.833
266 H ASP 37 HN ASP 37 -8.112 -0.361 -0.618
267 HA ASP 37 HA ASP 37 -7.737 2.246 -1.925
268 HB2 ASP 37 HB2 ASP 37 -8.345 0.646 -3.582
269 HB3 ASP 37 HB1 ASP 37 -9.639 0.004 -2.576
270 H ASP 38 HN ASP 38 -10.709 0.571 -0.975
271 HA ASP 38 HA ASP 38 -12.003 2.820 0.082
272 HB2 ASP 38 HB2 ASP 38 -13.220 0.787 -0.526
273 HB3 ASP 38 HB1 ASP 38 -12.376 -0.121 0.726
274 H PHE 39 HN PHE 39 -10.008 0.378 1.472
275 HA PHE 39 HA PHE 39 -10.037 1.496 4.139
276 HB2 PHE 39 HB2 PHE 39 -8.686 -0.845 2.821
277 HB3 PHE 39 HB1 PHE 39 -8.418 -0.432 4.503
278 HD1 PHE 39 HD1 PHE 39 -10.126 -2.536 2.396
279 HD2 PHE 39 HD2 PHE 39 -10.816 -0.029 5.776
280 HE1 PHE 39 HE1 PHE 39 -12.140 -3.839 2.959
281 HE2 PHE 39 HE2 PHE 39 -12.817 -1.338 6.345
282 HZ PHE 39 HZ PHE 39 -13.482 -3.242 4.936
283 H ARG 40 HN ARG 40 -7.816 1.884 5.192
284 HA ARG 40 HA ARG 40 -6.095 3.240 3.216
285 HB2 ARG 40 HB2 ARG 40 -5.664 4.925 5.055
286 HB3 ARG 40 HB1 ARG 40 -7.288 4.939 4.387
287 HG2 ARG 40 HG2 ARG 40 -8.093 3.652 6.300
288 HG3 ARG 40 HG1 ARG 40 -6.461 3.624 6.970
289 HD2 ARG 40 HD2 ARG 40 -8.003 6.144 6.388
290 HD3 ARG 40 HD1 ARG 40 -7.981 5.349 7.960
291 HE ARG 40 HE ARG 40 -5.338 5.731 7.301
292 HH11 ARG 40 HH11 ARG 40 -8.154 7.765 7.714
293 HH12 ARG 40 HH12 ARG 40 -7.247 9.137 8.266
294 HH21 ARG 40 HH21 ARG 40 -4.129 7.541 8.024
295 HH22 ARG 40 HH22 ARG 40 -4.952 9.012 8.430
296 H CYS 41 HN CYS 41 -4.189 2.316 3.104
297 HA CYS 41 HA CYS 41 -2.718 1.799 5.581
298 HB2 CYS 41 HB2 CYS 41 -3.471 -0.104 3.511
299 HB3 CYS 41 HB1 CYS 41 -1.772 -0.159 3.857
300 H TRP 42 HN TRP 42 -0.476 2.454 5.493
301 HA TRP 42 HA TRP 42 0.431 4.011 3.203
302 HB2 TRP 42 HB2 TRP 42 1.780 3.366 5.832
303 HB3 TRP 42 HB1 TRP 42 2.419 4.464 4.624
304 HD1 TRP 42 HD1 TRP 42 -0.341 4.205 7.269
305 HE1 TRP 42 HE1 TRP 42 -1.174 6.585 7.796
306 HE3 TRP 42 HE3 TRP 42 2.238 6.776 3.688
307 HZ2 TRP 42 HZ2 TRP 42 -0.784 9.199 6.805
308 HZ3 TRP 42 HZ3 TRP 42 1.958 9.200 3.545
309 HH2 TRP 42 HH2 TRP 42 0.471 10.395 5.058
310 H CYS 43 HN CYS 43 1.246 2.734 1.436
311 HA CYS 43 HA CYS 43 3.055 0.546 2.194
312 HB2 CYS 43 HB2 CYS 43 1.282 0.142 0.424
313 HB3 CYS 43 HB1 CYS 43 2.218 1.188 -0.646
314 H THR 44 HN THR 44 5.146 0.770 2.205
315 HA THR 44 HA THR 44 6.355 3.220 1.167
316 HB THR 44 HB THR 44 7.653 1.163 2.956
317 HG1 THR 44 HG1 THR 44 6.001 3.368 3.608
318 HG21 THR 44 HG21 THR 44 8.999 3.189 3.629
319 HG22 THR 44 HG22 THR 44 8.279 4.021 2.251
320 HG23 THR 44 HG23 THR 44 9.273 2.592 1.994
321 H ASN 45 HN ASN 45 7.919 3.217 -0.335
322 HA ASN 45 HA ASN 45 9.274 0.803 -1.168
323 HB2 ASN 45 HB2 ASN 45 7.177 0.679 -2.416
324 HB3 ASN 45 HB1 ASN 45 7.424 2.302 -3.040
325 HD21 ASN 45 HD21 ASN 45 8.831 -0.929 -2.958
326 HD22 ASN 45 HD22 ASN 45 9.512 -0.858 -4.551
327 H ARG 46 HN ARG 46 10.752 1.448 -3.136
328 HA ARG 46 HA ARG 46 12.094 3.912 -2.301
329 HB2 ARG 46 HB2 ARG 46 13.109 1.702 -4.097
330 HB3 ARG 46 HB1 ARG 46 14.056 2.993 -3.371
331 HG2 ARG 46 HG2 ARG 46 14.273 1.909 -1.434
332 HG3 ARG 46 HG1 ARG 46 12.593 1.368 -1.436
333 HD2 ARG 46 HD2 ARG 46 13.121 -0.402 -2.984
334 HD3 ARG 46 HD1 ARG 46 14.783 0.173 -3.126
335 HE ARG 46 HE ARG 46 14.625 -0.310 -0.511
336 HH11 ARG 46 HH11 ARG 46 13.597 -2.234 -3.255
337 HH12 ARG 46 HH12 ARG 46 13.869 -3.750 -2.458
338 HH21 ARG 46 HH21 ARG 46 14.993 -2.316 0.540
339 HH22 ARG 46 HH22 ARG 46 14.668 -3.797 -0.305
340 H CYS 47 HN CYS 47 12.137 5.678 -3.601
341 HA CYS 47 HA CYS 47 11.388 5.279 -6.412
342 HB2 CYS 47 HB2 CYS 47 10.221 7.425 -6.401
343 HB3 CYS 47 HB1 CYS 47 9.537 6.341 -5.201
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 12.155 8.118 6.123
2 H2 LYS 1 HT2 LYS 1 13.669 7.388 6.279
3 H3 LYS 1 HT3 LYS 1 12.520 7.215 7.508
4 HA LYS 1 HA LYS 1 12.695 5.211 6.173
5 HB2 LYS 1 HB2 LYS 1 10.307 4.952 5.693
6 HB3 LYS 1 HB1 LYS 1 10.549 5.777 7.226
7 HG2 LYS 1 HG2 LYS 1 10.124 7.920 6.126
8 HG3 LYS 1 HG1 LYS 1 9.851 7.075 4.605
9 HD2 LYS 1 HD2 LYS 1 7.718 7.558 5.576
10 HD3 LYS 1 HD1 LYS 1 7.999 5.823 5.721
11 HE2 LYS 1 HE2 LYS 1 7.050 6.765 7.774
12 HE3 LYS 1 HE1 LYS 1 8.662 6.106 8.045
13 HZ1 LYS 1 HZ1 LYS 1 8.295 8.277 9.112
14 HZ2 LYS 1 HZ2 LYS 1 8.085 8.981 7.590
15 HZ3 LYS 1 HZ3 LYS 1 9.576 8.304 8.011
16 H THR 2 HN THR 2 11.057 4.624 4.050
17 HA THR 2 HA THR 2 12.441 5.915 1.812
18 HB THR 2 HB THR 2 11.261 3.865 0.663
19 HG1 THR 2 HG1 THR 2 11.873 2.386 2.838
20 HG21 THR 2 HG21 THR 2 13.652 4.285 0.681
21 HG22 THR 2 HG22 THR 2 13.337 2.592 1.062
22 HG23 THR 2 HG23 THR 2 13.752 3.726 2.351
23 H CYS 3 HN CYS 3 10.842 5.798 -0.265
24 HA CYS 3 HA CYS 3 9.022 7.873 0.320
25 HB2 CYS 3 HB2 CYS 3 8.289 7.737 -1.979
26 HB3 CYS 3 HB1 CYS 3 10.034 7.551 -1.920
27 H GLU 4 HN GLU 4 7.218 7.719 1.381
28 HA GLU 4 HA GLU 4 5.761 5.173 1.328
29 HB2 GLU 4 HB2 GLU 4 6.894 5.524 3.472
30 HB3 GLU 4 HB1 GLU 4 6.113 7.094 3.629
31 HG2 GLU 4 HG2 GLU 4 3.908 5.893 3.563
32 HG3 GLU 4 HG1 GLU 4 4.812 4.381 3.695
33 H ASN 5 HN ASN 5 3.666 5.256 0.881
34 HA ASN 5 HA ASN 5 2.316 7.818 1.158
35 HB2 ASN 5 HB2 ASN 5 1.340 7.697 -1.043
36 HB3 ASN 5 HB1 ASN 5 3.086 7.680 -1.155
37 HD21 ASN 5 HD21 ASN 5 0.203 5.762 -1.382
38 HD22 ASN 5 HD22 ASN 5 0.881 4.491 -2.346
39 H LEU 6 HN LEU 6 0.151 7.714 1.437
40 HA LEU 6 HA LEU 6 -0.726 5.169 2.523
41 HB2 LEU 6 HB2 LEU 6 -0.974 7.683 3.487
42 HB3 LEU 6 HB1 LEU 6 -2.513 7.508 2.665
43 HG LEU 6 HG LEU 6 -1.431 5.768 4.908
44 HD11 LEU 6 HD11 LEU 6 -2.409 7.962 5.537
45 HD12 LEU 6 HD12 LEU 6 -3.342 6.591 6.133
46 HD13 LEU 6 HD13 LEU 6 -3.908 7.497 4.732
47 HD21 LEU 6 HD21 LEU 6 -2.510 4.213 3.643
48 HD22 LEU 6 HD22 LEU 6 -3.693 5.375 3.015
49 HD23 LEU 6 HD23 LEU 6 -3.815 4.806 4.681
50 H SER 7 HN SER 7 -1.793 3.846 1.306
51 HA SER 7 HA SER 7 -2.917 4.772 -1.201
52 HB2 SER 7 HB2 SER 7 -2.677 1.946 -0.164
53 HB3 SER 7 HB1 SER 7 -2.861 2.471 -1.836
54 HG SER 7 HG SER 7 -0.700 3.588 -0.594
55 H GLY 8 HN GLY 8 -5.027 4.989 -1.550
56 HA2 GLY 8 HA2 GLY 8 -7.093 3.423 -0.572
57 HA3 GLY 8 HA1 GLY 8 -6.894 4.740 0.578
58 H THR 9 HN THR 9 -6.730 6.934 -0.472
59 HA THR 9 HA THR 9 -8.424 7.145 -2.844
60 HB THR 9 HB THR 9 -10.021 7.491 -1.115
61 HG1 THR 9 HG1 THR 9 -9.914 9.118 -2.841
62 HG21 THR 9 HG21 THR 9 -9.714 9.109 0.711
63 HG22 THR 9 HG22 THR 9 -8.064 9.407 0.159
64 HG23 THR 9 HG23 THR 9 -8.515 7.815 0.768
65 H PHE 10 HN PHE 10 -6.458 8.934 -0.490
66 HA PHE 10 HA PHE 10 -5.371 10.562 -2.625
67 HB2 PHE 10 HB2 PHE 10 -3.863 11.364 -0.624
68 HB3 PHE 10 HB1 PHE 10 -5.521 11.919 -0.769
69 HD1 PHE 10 HD1 PHE 10 -7.191 11.262 0.792
70 HD2 PHE 10 HD2 PHE 10 -3.231 9.752 1.121
71 HE1 PHE 10 HE1 PHE 10 -7.676 10.492 3.078
72 HE2 PHE 10 HE2 PHE 10 -3.708 8.980 3.401
73 HZ PHE 10 HZ PHE 10 -5.932 9.347 4.384
74 H LYS 11 HN LYS 11 -3.150 10.518 -3.196
75 HA LYS 11 HA LYS 11 -1.194 9.560 -3.768
76 HB2 LYS 11 HB2 LYS 11 -1.545 8.019 -1.201
77 HB3 LYS 11 HB1 LYS 11 -0.110 7.939 -2.209
78 HG2 LYS 11 HG2 LYS 11 0.611 9.520 -0.773
79 HG3 LYS 11 HG1 LYS 11 -0.254 10.592 -1.868
80 HD2 LYS 11 HD2 LYS 11 -2.214 10.426 -0.411
81 HD3 LYS 11 HD1 LYS 11 -1.301 9.412 0.708
82 HE2 LYS 11 HE2 LYS 11 -1.365 11.729 1.469
83 HE3 LYS 11 HE1 LYS 11 0.278 11.245 1.061
84 HZ1 LYS 11 HZ1 LYS 11 0.045 12.382 -1.061
85 HZ2 LYS 11 HZ2 LYS 11 -0.224 13.448 0.221
86 HZ3 LYS 11 HZ3 LYS 11 -1.532 12.847 -0.666
87 H GLY 12 HN GLY 12 -3.910 8.201 -4.299
88 HA2 GLY 12 HA2 GLY 12 -4.297 6.614 -5.994
89 HA3 GLY 12 HA1 GLY 12 -2.701 5.950 -5.704
90 HA PRO 13 HA PRO 13 -5.888 3.482 -3.223
91 HB2 PRO 13 HB2 PRO 13 -7.726 2.472 -4.848
92 HB3 PRO 13 HB1 PRO 13 -7.859 4.135 -4.269
93 HG2 PRO 13 HG2 PRO 13 -6.997 3.117 -6.934
94 HG3 PRO 13 HG1 PRO 13 -7.932 4.569 -6.537
95 HD2 PRO 13 HD2 PRO 13 -5.170 4.445 -7.067
96 HD3 PRO 13 HD1 PRO 13 -6.051 5.820 -6.376
97 H CYS 14 HN CYS 14 -6.291 1.118 -3.225
98 HA CYS 14 HA CYS 14 -4.761 -0.381 -5.235
99 HB2 CYS 14 HB2 CYS 14 -4.656 -0.953 -2.264
100 HB3 CYS 14 HB1 CYS 14 -3.797 -1.828 -3.521
101 H ILE 15 HN ILE 15 -6.437 -1.426 -2.268
102 HA ILE 15 HA ILE 15 -8.393 -2.900 -3.873
103 HB ILE 15 HB ILE 15 -7.921 -4.992 -2.729
104 HG12 ILE 15 HG12 ILE 15 -5.795 -3.345 -1.351
105 HG13 ILE 15 HG11 ILE 15 -7.073 -4.320 -0.635
106 HG21 ILE 15 HG21 ILE 15 -5.775 -5.543 -3.788
107 HG22 ILE 15 HG22 ILE 15 -5.474 -3.823 -4.045
108 HG23 ILE 15 HG23 ILE 15 -6.826 -4.612 -4.856
109 HD11 ILE 15 HD11 ILE 15 -4.676 -5.373 -2.099
110 HD12 ILE 15 HD12 ILE 15 -5.973 -6.349 -1.409
111 HD13 ILE 15 HD13 ILE 15 -4.936 -5.387 -0.355
112 HA PRO 16 HA PRO 16 -10.796 -1.935 -0.244
113 HB2 PRO 16 HB2 PRO 16 -13.129 -2.969 -1.012
114 HB3 PRO 16 HB1 PRO 16 -12.421 -1.592 -1.865
115 HG2 PRO 16 HG2 PRO 16 -12.553 -4.452 -2.668
116 HG3 PRO 16 HG1 PRO 16 -12.611 -2.997 -3.676
117 HD2 PRO 16 HD2 PRO 16 -10.357 -4.631 -3.188
118 HD3 PRO 16 HD1 PRO 16 -10.366 -3.048 -3.982
119 H ASP 17 HN ASP 17 -9.150 -4.457 -0.194
120 HA ASP 17 HA ASP 17 -10.989 -6.355 1.051
121 HB2 ASP 17 HB2 ASP 17 -8.058 -6.718 0.421
122 HB3 ASP 17 HB1 ASP 17 -9.194 -7.973 0.898
123 H GLY 18 HN GLY 18 -8.443 -4.138 1.924
124 HA2 GLY 18 HA2 GLY 18 -8.288 -3.205 4.066
125 HA3 GLY 18 HA1 GLY 18 -9.230 -4.535 4.696
126 H ASN 19 HN ASN 19 -7.027 -6.152 3.040
127 HA ASN 19 HA ASN 19 -5.461 -6.895 5.262
128 HB2 ASN 19 HB2 ASN 19 -4.151 -8.162 3.595
129 HB3 ASN 19 HB1 ASN 19 -5.887 -8.391 3.379
130 HD21 ASN 19 HD21 ASN 19 -6.932 -7.220 1.702
131 HD22 ASN 19 HD22 ASN 19 -6.057 -6.673 0.320
132 H CYS 20 HN CYS 20 -4.928 -4.806 2.533
133 HA CYS 20 HA CYS 20 -3.336 -3.569 1.737
134 HB2 CYS 20 HB2 CYS 20 -2.376 -1.898 3.094
135 HB3 CYS 20 HB1 CYS 20 -4.016 -2.161 3.627
136 H ASN 21 HN ASN 21 -1.692 -4.907 4.598
137 HA ASN 21 HA ASN 21 0.863 -4.686 3.587
138 HB2 ASN 21 HB2 ASN 21 -0.261 -6.658 5.556
139 HB3 ASN 21 HB1 ASN 21 1.455 -6.532 5.212
140 HD21 ASN 21 HD21 ASN 21 1.403 -3.679 4.874
141 HD22 ASN 21 HD22 ASN 21 1.194 -3.017 6.455
142 H LYS 22 HN LYS 22 -0.966 -7.766 3.710
143 HA LYS 22 HA LYS 22 0.985 -9.185 2.348
144 HB2 LYS 22 HB2 LYS 22 -0.999 -10.758 1.729
145 HB3 LYS 22 HB1 LYS 22 -0.446 -10.614 3.387
146 HG2 LYS 22 HG2 LYS 22 -2.291 -9.190 3.935
147 HG3 LYS 22 HG1 LYS 22 -2.807 -9.128 2.245
148 HD2 LYS 22 HD2 LYS 22 -3.569 -11.310 2.275
149 HD3 LYS 22 HD1 LYS 22 -2.510 -11.774 3.604
150 HE2 LYS 22 HE2 LYS 22 -4.840 -9.896 3.933
151 HE3 LYS 22 HE1 LYS 22 -4.969 -11.639 4.148
152 HZ1 LYS 22 HZ1 LYS 22 -4.619 -10.453 6.241
153 HZ2 LYS 22 HZ2 LYS 22 -3.138 -9.870 5.674
154 HZ3 LYS 22 HZ3 LYS 22 -3.357 -11.530 5.913
155 H HIS 23 HN HIS 23 -1.499 -7.112 0.984
156 HA HIS 23 HA HIS 23 -1.312 -8.157 -1.640
157 HB2 HIS 23 HB2 HIS 23 -3.116 -6.611 -0.948
158 HB3 HIS 23 HB1 HIS 23 -1.937 -5.308 -0.839
159 HD1 HIS 23 HD1 HIS 23 -3.548 -7.588 -3.397
160 HD2 HIS 23 HD2 HIS 23 -1.391 -4.036 -3.216
161 HE1 HIS 23 HE1 HIS 23 -3.620 -6.625 -5.720
162 HE2 HIS 23 HE2 HIS 23 -2.261 -4.509 -5.603
163 H CYS 24 HN CYS 24 0.122 -5.085 -0.437
164 HA CYS 24 HA CYS 24 1.789 -4.632 -2.632
165 HB2 CYS 24 HB2 CYS 24 1.834 -3.806 0.208
166 HB3 CYS 24 HB1 CYS 24 3.363 -3.723 -0.641
167 H ARG 25 HN ARG 25 2.216 -6.723 0.128
168 HA ARG 25 HA ARG 25 5.059 -6.901 -0.260
169 HB2 ARG 25 HB2 ARG 25 3.276 -8.370 1.668
170 HB3 ARG 25 HB1 ARG 25 5.024 -8.261 1.734
171 HG2 ARG 25 HG2 ARG 25 3.215 -5.880 1.853
172 HG3 ARG 25 HG1 ARG 25 3.810 -6.723 3.286
173 HD2 ARG 25 HD2 ARG 25 5.857 -5.991 1.328
174 HD3 ARG 25 HD1 ARG 25 5.071 -4.611 2.096
175 HE ARG 25 HE ARG 25 5.817 -5.435 4.220
176 HH11 ARG 25 HH11 ARG 25 7.155 -7.171 1.492
177 HH12 ARG 25 HH12 ARG 25 8.482 -7.820 2.395
178 HH21 ARG 25 HH21 ARG 25 7.550 -6.315 5.414
179 HH22 ARG 25 HH22 ARG 25 8.705 -7.339 4.618
180 H ASN 26 HN ASN 26 2.283 -8.834 -1.149
181 HA ASN 26 HA ASN 26 3.962 -11.196 -1.488
182 HB2 ASN 26 HB2 ASN 26 1.040 -10.688 -1.729
183 HB3 ASN 26 HB1 ASN 26 1.719 -12.039 -2.626
184 HD21 ASN 26 HD21 ASN 26 0.978 -10.764 0.469
185 HD22 ASN 26 HD22 ASN 26 1.296 -12.200 1.384
186 H ASN 27 HN ASN 27 2.193 -8.958 -3.580
187 HA ASN 27 HA ASN 27 3.261 -10.294 -5.929
188 HB2 ASN 27 HB2 ASN 27 1.974 -8.307 -7.078
189 HB3 ASN 27 HB1 ASN 27 1.090 -9.667 -6.393
190 HD21 ASN 27 HD21 ASN 27 -0.040 -9.415 -4.509
191 HD22 ASN 27 HD22 ASN 27 -0.342 -7.872 -3.779
192 H GLU 28 HN GLU 28 3.664 -7.187 -4.272
193 HA GLU 28 HA GLU 28 5.643 -6.477 -6.324
194 HB2 GLU 28 HB2 GLU 28 3.510 -5.058 -5.606
195 HB3 GLU 28 HB1 GLU 28 4.624 -4.461 -4.386
196 HG2 GLU 28 HG2 GLU 28 4.601 -3.013 -6.324
197 HG3 GLU 28 HG1 GLU 28 6.180 -3.781 -6.146
198 H HIS 29 HN HIS 29 5.206 -7.087 -2.960
199 HA HIS 29 HA HIS 29 6.624 -7.550 -1.291
200 HB2 HIS 29 HB2 HIS 29 7.782 -8.841 -3.143
201 HB3 HIS 29 HB1 HIS 29 8.874 -7.471 -3.308
202 HD1 HIS 29 HD1 HIS 29 7.779 -9.953 -0.633
203 HD2 HIS 29 HD2 HIS 29 11.043 -7.598 -1.677
204 HE1 HIS 29 HE1 HIS 29 9.603 -10.563 0.986
205 HE2 HIS 29 HE2 HIS 29 11.519 -9.028 0.422
206 H LEU 30 HN LEU 30 5.917 -4.860 -1.680
207 HA LEU 30 HA LEU 30 8.225 -3.191 -1.640
208 HB2 LEU 30 HB2 LEU 30 5.501 -2.426 -0.627
209 HB3 LEU 30 HB1 LEU 30 6.792 -1.357 -1.118
210 HG LEU 30 HG LEU 30 4.999 -3.033 -2.849
211 HD11 LEU 30 HD11 LEU 30 4.234 -0.792 -2.218
212 HD12 LEU 30 HD12 LEU 30 4.591 -0.900 -3.947
213 HD13 LEU 30 HD13 LEU 30 5.733 -0.114 -2.861
214 HD21 LEU 30 HD21 LEU 30 7.581 -1.700 -3.653
215 HD22 LEU 30 HD22 LEU 30 6.380 -2.352 -4.766
216 HD23 LEU 30 HD23 LEU 30 7.242 -3.431 -3.669
217 H LEU 31 HN LEU 31 7.720 -1.396 0.475
218 HA LEU 31 HA LEU 31 9.215 -2.964 2.421
219 HB2 LEU 31 HB2 LEU 31 8.814 0.013 2.330
220 HB3 LEU 31 HB1 LEU 31 10.064 -0.864 3.195
221 HG LEU 31 HG LEU 31 9.756 -0.568 0.220
222 HD11 LEU 31 HD11 LEU 31 12.006 0.417 0.381
223 HD12 LEU 31 HD12 LEU 31 11.932 0.255 2.133
224 HD13 LEU 31 HD13 LEU 31 10.805 1.324 1.299
225 HD21 LEU 31 HD21 LEU 31 11.806 -1.946 0.048
226 HD22 LEU 31 HD22 LEU 31 10.391 -2.832 0.617
227 HD23 LEU 31 HD23 LEU 31 11.642 -2.337 1.762
228 H SER 32 HN SER 32 6.575 -0.516 2.634
229 HA SER 32 HA SER 32 5.941 -1.667 5.271
230 HB2 SER 32 HB2 SER 32 5.974 0.921 4.679
231 HB3 SER 32 HB1 SER 32 4.352 0.577 4.092
232 HG SER 32 HG SER 32 4.960 -0.442 6.596
233 H GLY 33 HN GLY 33 4.820 -1.402 2.042
234 HA2 GLY 33 HA2 GLY 33 3.411 -2.676 0.851
235 HA3 GLY 33 HA1 GLY 33 3.539 -3.858 2.122
236 H ARG 34 HN ARG 34 2.112 -0.770 2.984
237 HA ARG 34 HA ARG 34 -0.315 -2.276 3.455
238 HB2 ARG 34 HB2 ARG 34 0.002 0.685 3.962
239 HB3 ARG 34 HB1 ARG 34 -1.032 -0.481 4.772
240 HG2 ARG 34 HG2 ARG 34 0.808 -1.467 5.914
241 HG3 ARG 34 HG1 ARG 34 1.957 -0.472 5.012
242 HD2 ARG 34 HD2 ARG 34 0.553 1.528 5.965
243 HD3 ARG 34 HD1 ARG 34 0.029 0.331 7.159
244 HE ARG 34 HE ARG 34 2.857 0.325 6.913
245 HH11 ARG 34 HH11 ARG 34 0.207 2.158 8.269
246 HH12 ARG 34 HH12 ARG 34 1.167 2.865 9.524
247 HH21 ARG 34 HH21 ARG 34 4.130 1.248 8.560
248 HH22 ARG 34 HH22 ARG 34 3.405 2.336 9.697
249 H CYS 35 HN CYS 35 -0.846 -2.641 1.108
250 HA CYS 35 HA CYS 35 -1.832 -0.265 -0.300
251 HB2 CYS 35 HB2 CYS 35 -0.585 -2.589 -1.169
252 HB3 CYS 35 HB1 CYS 35 -2.253 -2.767 -1.694
253 H ARG 36 HN ARG 36 -3.928 0.379 0.011
254 HA ARG 36 HA ARG 36 -5.988 -1.607 -0.514
255 HB2 ARG 36 HB2 ARG 36 -6.503 0.294 1.731
256 HB3 ARG 36 HB1 ARG 36 -7.372 -1.170 1.313
257 HG2 ARG 36 HG2 ARG 36 -5.348 -2.445 1.958
258 HG3 ARG 36 HG1 ARG 36 -4.680 -0.929 2.558
259 HD2 ARG 36 HD2 ARG 36 -7.352 -1.850 3.483
260 HD3 ARG 36 HD1 ARG 36 -5.910 -2.572 4.175
261 HE ARG 36 HE ARG 36 -6.055 0.330 4.232
262 HH11 ARG 36 HH11 ARG 36 -6.547 -2.698 5.945
263 HH12 ARG 36 HH12 ARG 36 -6.546 -1.956 7.512
264 HH21 ARG 36 HH21 ARG 36 -6.027 1.299 6.333
265 HH22 ARG 36 HH22 ARG 36 -6.258 0.293 7.729
266 H ASP 37 HN ASP 37 -8.207 -0.405 -0.569
267 HA ASP 37 HA ASP 37 -7.886 2.138 -2.026
268 HB2 ASP 37 HB2 ASP 37 -8.342 0.601 -3.735
269 HB3 ASP 37 HB1 ASP 37 -9.448 -0.332 -2.737
270 H ASP 38 HN ASP 38 -10.642 0.156 -0.900
271 HA ASP 38 HA ASP 38 -12.214 2.335 -0.094
272 HB2 ASP 38 HB2 ASP 38 -13.137 0.077 -0.462
273 HB3 ASP 38 HB1 ASP 38 -12.269 -0.507 0.956
274 H PHE 39 HN PHE 39 -10.147 0.177 1.746
275 HA PHE 39 HA PHE 39 -10.167 1.968 4.044
276 HB2 PHE 39 HB2 PHE 39 -8.553 -0.555 3.757
277 HB3 PHE 39 HB1 PHE 39 -9.101 0.218 5.234
278 HD1 PHE 39 HD1 PHE 39 -9.796 -2.282 2.767
279 HD2 PHE 39 HD2 PHE 39 -11.591 0.223 5.722
280 HE1 PHE 39 HE1 PHE 39 -11.777 -3.739 2.813
281 HE2 PHE 39 HE2 PHE 39 -13.563 -1.245 5.770
282 HZ PHE 39 HZ PHE 39 -13.659 -3.226 4.315
283 H ARG 40 HN ARG 40 -7.873 2.468 4.958
284 HA ARG 40 HA ARG 40 -6.136 3.084 2.654
285 HB2 ARG 40 HB2 ARG 40 -6.554 4.910 5.021
286 HB3 ARG 40 HB1 ARG 40 -5.691 5.270 3.533
287 HG2 ARG 40 HG2 ARG 40 -7.828 5.089 2.301
288 HG3 ARG 40 HG1 ARG 40 -8.657 4.859 3.840
289 HD2 ARG 40 HD2 ARG 40 -7.127 7.283 2.917
290 HD3 ARG 40 HD1 ARG 40 -8.857 7.158 3.223
291 HE ARG 40 HE ARG 40 -7.013 6.694 5.448
292 HH11 ARG 40 HH11 ARG 40 -9.412 8.729 3.914
293 HH12 ARG 40 HH12 ARG 40 -9.630 9.734 5.307
294 HH21 ARG 40 HH21 ARG 40 -7.302 8.009 7.278
295 HH22 ARG 40 HH22 ARG 40 -8.435 9.322 7.223
296 H CYS 41 HN CYS 41 -4.186 2.286 2.863
297 HA CYS 41 HA CYS 41 -2.981 2.019 5.530
298 HB2 CYS 41 HB2 CYS 41 -3.989 -0.060 4.026
299 HB3 CYS 41 HB1 CYS 41 -2.281 -0.107 3.638
300 H TRP 42 HN TRP 42 -0.647 2.436 5.552
301 HA TRP 42 HA TRP 42 0.381 3.967 3.309
302 HB2 TRP 42 HB2 TRP 42 1.615 3.221 5.964
303 HB3 TRP 42 HB1 TRP 42 2.431 4.207 4.762
304 HD1 TRP 42 HD1 TRP 42 -0.222 4.371 7.471
305 HE1 TRP 42 HE1 TRP 42 -0.886 6.832 7.842
306 HE3 TRP 42 HE3 TRP 42 2.206 6.484 3.504
307 HZ2 TRP 42 HZ2 TRP 42 -0.444 9.337 6.595
308 HZ3 TRP 42 HZ3 TRP 42 2.043 8.898 3.166
309 HH2 TRP 42 HH2 TRP 42 0.740 10.302 4.670
310 H CYS 43 HN CYS 43 1.134 2.732 1.489
311 HA CYS 43 HA CYS 43 2.973 0.537 2.163
312 HB2 CYS 43 HB2 CYS 43 1.187 0.119 0.438
313 HB3 CYS 43 HB1 CYS 43 2.031 1.250 -0.619
314 H THR 44 HN THR 44 5.014 0.982 2.367
315 HA THR 44 HA THR 44 6.174 3.357 1.147
316 HB THR 44 HB THR 44 7.592 1.492 3.050
317 HG1 THR 44 HG1 THR 44 6.678 3.527 4.417
318 HG21 THR 44 HG21 THR 44 9.075 3.039 2.136
319 HG22 THR 44 HG22 THR 44 8.632 3.713 3.707
320 HG23 THR 44 HG23 THR 44 7.905 4.353 2.231
321 H ASN 45 HN ASN 45 7.914 3.319 -0.253
322 HA ASN 45 HA ASN 45 8.973 0.733 -1.121
323 HB2 ASN 45 HB2 ASN 45 6.937 1.377 -2.521
324 HB3 ASN 45 HB1 ASN 45 7.881 2.738 -3.108
325 HD21 ASN 45 HD21 ASN 45 8.917 -0.567 -2.415
326 HD22 ASN 45 HD22 ASN 45 9.410 -0.935 -4.033
327 H ARG 46 HN ARG 46 10.653 1.328 -3.010
328 HA ARG 46 HA ARG 46 12.298 3.527 -1.993
329 HB2 ARG 46 HB2 ARG 46 12.979 1.395 -4.026
330 HB3 ARG 46 HB1 ARG 46 14.096 2.552 -3.320
331 HG2 ARG 46 HG2 ARG 46 14.455 1.248 -1.570
332 HG3 ARG 46 HG1 ARG 46 12.725 1.054 -1.281
333 HD2 ARG 46 HD2 ARG 46 12.617 -0.690 -2.964
334 HD3 ARG 46 HD1 ARG 46 14.334 -0.479 -3.313
335 HE ARG 46 HE ARG 46 14.137 -1.022 -0.606
336 HH11 ARG 46 HH11 ARG 46 13.468 -2.619 -3.640
337 HH12 ARG 46 HH12 ARG 46 13.627 -4.214 -2.984
338 HH21 ARG 46 HH21 ARG 46 14.397 -3.121 0.257
339 HH22 ARG 46 HH22 ARG 46 14.177 -4.500 -0.773
340 H CYS 47 HN CYS 47 12.425 5.390 -3.069
341 HA CYS 47 HA CYS 47 11.575 5.427 -5.881
342 HB2 CYS 47 HB2 CYS 47 10.929 7.395 -3.690
343 HB3 CYS 47 HB1 CYS 47 10.690 7.747 -5.399
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 12.492 7.173 7.224
2 H2 LYS 1 HT2 LYS 1 12.172 8.106 5.850
3 H3 LYS 1 HT3 LYS 1 13.633 7.267 5.978
4 HA LYS 1 HA LYS 1 12.500 5.170 5.893
5 HB2 LYS 1 HB2 LYS 1 10.104 5.065 5.445
6 HB3 LYS 1 HB1 LYS 1 10.403 5.909 6.957
7 HG2 LYS 1 HG2 LYS 1 9.953 8.017 5.961
8 HG3 LYS 1 HG1 LYS 1 9.929 7.313 4.346
9 HD2 LYS 1 HD2 LYS 1 7.663 7.742 5.115
10 HD3 LYS 1 HD1 LYS 1 7.940 6.010 4.953
11 HE2 LYS 1 HE2 LYS 1 6.728 6.426 6.988
12 HE3 LYS 1 HE1 LYS 1 8.358 5.891 7.387
13 HZ1 LYS 1 HZ1 LYS 1 7.733 7.726 8.780
14 HZ2 LYS 1 HZ2 LYS 1 7.359 8.684 7.439
15 HZ3 LYS 1 HZ3 LYS 1 8.961 8.233 7.733
16 H THR 2 HN THR 2 10.939 4.590 3.782
17 HA THR 2 HA THR 2 12.305 5.894 1.543
18 HB THR 2 HB THR 2 11.213 3.815 0.369
19 HG1 THR 2 HG1 THR 2 11.791 2.483 2.722
20 HG21 THR 2 HG21 THR 2 13.287 2.564 0.841
21 HG22 THR 2 HG22 THR 2 13.652 3.710 2.133
22 HG23 THR 2 HG23 THR 2 13.591 4.258 0.457
23 H CYS 3 HN CYS 3 10.803 5.762 -0.536
24 HA CYS 3 HA CYS 3 8.832 7.698 -0.220
25 HB2 CYS 3 HB2 CYS 3 8.876 5.613 -2.408
26 HB3 CYS 3 HB1 CYS 3 8.198 7.236 -2.493
27 H GLU 4 HN GLU 4 6.996 7.558 0.864
28 HA GLU 4 HA GLU 4 5.512 5.023 0.840
29 HB2 GLU 4 HB2 GLU 4 6.666 5.214 2.986
30 HB3 GLU 4 HB1 GLU 4 6.029 6.838 3.204
31 HG2 GLU 4 HG2 GLU 4 3.713 5.788 3.137
32 HG3 GLU 4 HG1 GLU 4 4.530 4.225 3.303
33 H ASN 5 HN ASN 5 3.326 5.215 0.661
34 HA ASN 5 HA ASN 5 2.136 7.800 1.251
35 HB2 ASN 5 HB2 ASN 5 0.982 8.062 -0.781
36 HB3 ASN 5 HB1 ASN 5 2.625 7.671 -1.245
37 HD21 ASN 5 HD21 ASN 5 -0.649 6.587 -1.096
38 HD22 ASN 5 HD22 ASN 5 -0.469 5.229 -2.160
39 H LEU 6 HN LEU 6 -0.069 7.692 1.628
40 HA LEU 6 HA LEU 6 -0.951 5.088 2.551
41 HB2 LEU 6 HB2 LEU 6 -1.218 7.548 3.650
42 HB3 LEU 6 HB1 LEU 6 -2.745 7.420 2.797
43 HG LEU 6 HG LEU 6 -1.708 5.585 4.978
44 HD11 LEU 6 HD11 LEU 6 -4.145 7.367 4.779
45 HD12 LEU 6 HD12 LEU 6 -2.697 7.696 5.728
46 HD13 LEU 6 HD13 LEU 6 -3.727 6.326 6.139
47 HD21 LEU 6 HD21 LEU 6 -2.740 4.187 3.370
48 HD22 LEU 6 HD22 LEU 6 -4.105 5.302 3.187
49 HD23 LEU 6 HD23 LEU 6 -3.870 4.426 4.703
50 H SER 7 HN SER 7 -2.125 3.848 1.314
51 HA SER 7 HA SER 7 -3.195 4.862 -1.165
52 HB2 SER 7 HB2 SER 7 -3.708 2.390 -1.512
53 HB3 SER 7 HB1 SER 7 -2.008 2.818 -1.367
54 HG SER 7 HG SER 7 -2.115 2.156 0.833
55 H GLY 8 HN GLY 8 -5.244 5.360 -1.496
56 HA2 GLY 8 HA2 GLY 8 -7.520 4.110 -0.765
57 HA3 GLY 8 HA1 GLY 8 -7.150 5.077 0.655
58 H THR 9 HN THR 9 -8.338 6.850 0.673
59 HA THR 9 HA THR 9 -9.305 8.016 -1.753
60 HB THR 9 HB THR 9 -10.739 8.042 0.199
61 HG1 THR 9 HG1 THR 9 -10.764 9.831 -1.358
62 HG21 THR 9 HG21 THR 9 -9.042 8.176 1.952
63 HG22 THR 9 HG22 THR 9 -10.253 9.444 2.147
64 HG23 THR 9 HG23 THR 9 -8.668 9.832 1.474
65 H PHE 10 HN PHE 10 -6.800 8.823 0.626
66 HA PHE 10 HA PHE 10 -6.112 11.226 -0.866
67 HB2 PHE 10 HB2 PHE 10 -6.224 11.004 1.733
68 HB3 PHE 10 HB1 PHE 10 -4.665 10.207 1.567
69 HD1 PHE 10 HD1 PHE 10 -6.330 13.266 0.228
70 HD2 PHE 10 HD2 PHE 10 -2.854 11.536 1.956
71 HE1 PHE 10 HE1 PHE 10 -5.233 15.466 0.207
72 HE2 PHE 10 HE2 PHE 10 -1.748 13.736 1.940
73 HZ PHE 10 HZ PHE 10 -2.938 15.703 1.064
74 H LYS 11 HN LYS 11 -4.148 11.418 -1.971
75 HA LYS 11 HA LYS 11 -2.188 10.834 -2.966
76 HB2 LYS 11 HB2 LYS 11 -2.096 8.724 -0.808
77 HB3 LYS 11 HB1 LYS 11 -0.756 9.149 -1.863
78 HG2 LYS 11 HG2 LYS 11 -0.278 11.032 -0.724
79 HG3 LYS 11 HG1 LYS 11 -1.973 11.371 -0.361
80 HD2 LYS 11 HD2 LYS 11 -2.000 9.902 1.450
81 HD3 LYS 11 HD1 LYS 11 -0.544 9.081 0.928
82 HE2 LYS 11 HE2 LYS 11 -0.781 11.857 2.077
83 HE3 LYS 11 HE1 LYS 11 -0.008 10.463 2.823
84 HZ1 LYS 11 HZ1 LYS 11 1.664 10.511 1.057
85 HZ2 LYS 11 HZ2 LYS 11 1.627 11.968 1.908
86 HZ3 LYS 11 HZ3 LYS 11 0.925 11.870 0.376
87 H GLY 12 HN GLY 12 -4.821 9.393 -3.509
88 HA2 GLY 12 HA2 GLY 12 -5.347 8.119 -5.392
89 HA3 GLY 12 HA1 GLY 12 -3.691 7.557 -5.464
90 HA PRO 13 HA PRO 13 -6.509 4.459 -3.290
91 HB2 PRO 13 HB2 PRO 13 -7.638 3.253 -5.556
92 HB3 PRO 13 HB1 PRO 13 -8.418 4.432 -4.506
93 HG2 PRO 13 HG2 PRO 13 -7.720 4.814 -7.199
94 HG3 PRO 13 HG1 PRO 13 -8.183 6.082 -6.052
95 HD2 PRO 13 HD2 PRO 13 -5.460 5.202 -6.910
96 HD3 PRO 13 HD1 PRO 13 -6.047 6.836 -6.534
97 H CYS 14 HN CYS 14 -6.815 1.977 -3.824
98 HA CYS 14 HA CYS 14 -4.738 0.818 -5.432
99 HB2 CYS 14 HB2 CYS 14 -3.470 1.280 -3.406
100 HB3 CYS 14 HB1 CYS 14 -4.681 0.458 -2.428
101 H ILE 15 HN ILE 15 -6.323 -0.627 -2.577
102 HA ILE 15 HA ILE 15 -8.024 -2.205 -4.347
103 HB ILE 15 HB ILE 15 -7.296 -4.314 -3.259
104 HG12 ILE 15 HG12 ILE 15 -5.344 -2.417 -2.004
105 HG13 ILE 15 HG11 ILE 15 -6.197 -3.785 -1.301
106 HG21 ILE 15 HG21 ILE 15 -6.568 -3.780 -5.502
107 HG22 ILE 15 HG22 ILE 15 -5.267 -4.589 -4.625
108 HG23 ILE 15 HG23 ILE 15 -5.216 -2.841 -4.868
109 HD11 ILE 15 HD11 ILE 15 -3.884 -3.979 -3.208
110 HD12 ILE 15 HD12 ILE 15 -4.726 -5.327 -2.446
111 HD13 ILE 15 HD13 ILE 15 -3.809 -4.191 -1.460
112 HA PRO 16 HA PRO 16 -10.571 -1.609 -0.735
113 HB2 PRO 16 HB2 PRO 16 -12.829 -2.705 -2.030
114 HB3 PRO 16 HB1 PRO 16 -12.364 -1.005 -1.980
115 HG2 PRO 16 HG2 PRO 16 -12.412 -2.631 -4.258
116 HG3 PRO 16 HG1 PRO 16 -11.617 -1.055 -4.118
117 HD2 PRO 16 HD2 PRO 16 -10.454 -3.797 -3.926
118 HD3 PRO 16 HD1 PRO 16 -9.752 -2.318 -4.606
119 H ASP 17 HN ASP 17 -9.008 -4.104 -1.005
120 HA ASP 17 HA ASP 17 -10.948 -6.151 -0.209
121 HB2 ASP 17 HB2 ASP 17 -8.066 -6.468 -1.056
122 HB3 ASP 17 HB1 ASP 17 -9.201 -7.775 -0.741
123 H GLY 18 HN GLY 18 -8.365 -4.230 1.050
124 HA2 GLY 18 HA2 GLY 18 -7.890 -3.891 3.302
125 HA3 GLY 18 HA1 GLY 18 -8.962 -5.223 3.702
126 H ASN 19 HN ASN 19 -6.624 -5.871 1.362
127 HA ASN 19 HA ASN 19 -5.031 -7.409 3.263
128 HB2 ASN 19 HB2 ASN 19 -4.330 -8.556 1.046
129 HB3 ASN 19 HB1 ASN 19 -5.935 -8.862 1.688
130 HD21 ASN 19 HD21 ASN 19 -5.159 -5.823 0.172
131 HD22 ASN 19 HD22 ASN 19 -6.134 -6.053 -1.234
132 H CYS 20 HN CYS 20 -4.333 -4.837 3.346
133 HA CYS 20 HA CYS 20 -2.863 -3.848 1.214
134 HB2 CYS 20 HB2 CYS 20 -2.026 -2.154 2.803
135 HB3 CYS 20 HB1 CYS 20 -3.770 -2.297 2.805
136 H ASN 21 HN ASN 21 -1.892 -5.518 4.136
137 HA ASN 21 HA ASN 21 0.865 -5.146 3.707
138 HB2 ASN 21 HB2 ASN 21 -0.715 -6.970 5.484
139 HB3 ASN 21 HB1 ASN 21 1.032 -7.077 5.390
140 HD21 ASN 21 HD21 ASN 21 1.344 -4.209 4.916
141 HD22 ASN 21 HD22 ASN 21 1.051 -3.445 6.441
142 H LYS 22 HN LYS 22 -1.100 -8.098 3.355
143 HA LYS 22 HA LYS 22 1.057 -9.519 2.267
144 HB2 LYS 22 HB2 LYS 22 -0.825 -11.086 1.408
145 HB3 LYS 22 HB1 LYS 22 -0.545 -10.928 3.132
146 HG2 LYS 22 HG2 LYS 22 -2.441 -9.477 3.363
147 HG3 LYS 22 HG1 LYS 22 -2.702 -9.446 1.613
148 HD2 LYS 22 HD2 LYS 22 -3.126 -11.841 1.629
149 HD3 LYS 22 HD1 LYS 22 -2.809 -11.910 3.362
150 HE2 LYS 22 HE2 LYS 22 -4.723 -10.407 3.737
151 HE3 LYS 22 HE1 LYS 22 -5.038 -10.414 2.004
152 HZ1 LYS 22 HZ1 LYS 22 -6.467 -11.970 3.136
153 HZ2 LYS 22 HZ2 LYS 22 -5.135 -12.772 3.792
154 HZ3 LYS 22 HZ3 LYS 22 -5.396 -12.804 2.123
155 H HIS 23 HN HIS 23 -1.366 -7.487 0.695
156 HA HIS 23 HA HIS 23 -0.891 -8.482 -1.904
157 HB2 HIS 23 HB2 HIS 23 -2.791 -6.933 -1.182
158 HB3 HIS 23 HB1 HIS 23 -1.631 -5.618 -1.350
159 HD1 HIS 23 HD1 HIS 23 -0.993 -4.894 -3.726
160 HD2 HIS 23 HD2 HIS 23 -3.567 -8.157 -3.616
161 HE1 HIS 23 HE1 HIS 23 -1.787 -5.207 -6.083
162 HE2 HIS 23 HE2 HIS 23 -3.486 -7.060 -5.959
163 H CYS 24 HN CYS 24 0.473 -5.593 -0.279
164 HA CYS 24 HA CYS 24 2.264 -4.977 -2.383
165 HB2 CYS 24 HB2 CYS 24 1.963 -4.179 0.460
166 HB3 CYS 24 HB1 CYS 24 3.546 -3.960 -0.261
167 H ARG 25 HN ARG 25 2.538 -7.003 0.499
168 HA ARG 25 HA ARG 25 5.424 -7.074 0.263
169 HB2 ARG 25 HB2 ARG 25 3.587 -8.365 2.273
170 HB3 ARG 25 HB1 ARG 25 5.337 -8.284 2.389
171 HG2 ARG 25 HG2 ARG 25 3.482 -5.931 2.324
172 HG3 ARG 25 HG1 ARG 25 4.258 -6.591 3.768
173 HD2 ARG 25 HD2 ARG 25 6.221 -6.135 1.744
174 HD3 ARG 25 HD1 ARG 25 5.282 -4.653 1.972
175 HE ARG 25 HE ARG 25 5.999 -4.576 4.221
176 HH11 ARG 25 HH11 ARG 25 7.405 -7.308 2.526
177 HH12 ARG 25 HH12 ARG 25 8.679 -7.516 3.677
178 HH21 ARG 25 HH21 ARG 25 7.669 -4.864 5.727
179 HH22 ARG 25 HH22 ARG 25 8.826 -6.135 5.499
180 H ASN 26 HN ASN 26 2.745 -9.278 -0.237
181 HA ASN 26 HA ASN 26 4.557 -11.535 -0.520
182 HB2 ASN 26 HB2 ASN 26 1.554 -11.312 -0.771
183 HB3 ASN 26 HB1 ASN 26 2.437 -12.795 -1.082
184 HD21 ASN 26 HD21 ASN 26 3.502 -10.645 1.395
185 HD22 ASN 26 HD22 ASN 26 3.006 -11.604 2.744
186 H ASN 27 HN ASN 27 2.591 -9.436 -2.546
187 HA ASN 27 HA ASN 27 3.170 -11.014 -4.898
188 HB2 ASN 27 HB2 ASN 27 1.720 -8.372 -4.674
189 HB3 ASN 27 HB1 ASN 27 1.793 -9.391 -6.106
190 HD21 ASN 27 HD21 ASN 27 0.449 -8.969 -2.958
191 HD22 ASN 27 HD22 ASN 27 -0.757 -10.207 -3.069
192 H GLU 28 HN GLU 28 3.936 -7.710 -3.762
193 HA GLU 28 HA GLU 28 5.924 -7.593 -5.924
194 HB2 GLU 28 HB2 GLU 28 4.061 -5.857 -5.764
195 HB3 GLU 28 HB1 GLU 28 4.903 -5.228 -4.355
196 HG2 GLU 28 HG2 GLU 28 6.859 -4.752 -5.696
197 HG3 GLU 28 HG1 GLU 28 6.099 -5.485 -7.109
198 H HIS 29 HN HIS 29 5.548 -7.584 -2.490
199 HA HIS 29 HA HIS 29 7.030 -7.864 -0.824
200 HB2 HIS 29 HB2 HIS 29 8.178 -9.389 -2.490
201 HB3 HIS 29 HB1 HIS 29 9.213 -8.031 -2.913
202 HD1 HIS 29 HD1 HIS 29 8.436 -10.346 -0.038
203 HD2 HIS 29 HD2 HIS 29 11.315 -7.577 -1.186
204 HE1 HIS 29 HE1 HIS 29 10.293 -10.557 1.644
205 HE2 HIS 29 HE2 HIS 29 12.049 -8.908 0.901
206 H LEU 30 HN LEU 30 6.209 -5.408 -1.117
207 HA LEU 30 HA LEU 30 8.381 -3.574 -1.529
208 HB2 LEU 30 HB2 LEU 30 5.653 -3.011 -0.375
209 HB3 LEU 30 HB1 LEU 30 6.835 -1.817 -0.881
210 HG LEU 30 HG LEU 30 5.132 -3.612 -2.575
211 HD11 LEU 30 HD11 LEU 30 5.786 -0.673 -2.721
212 HD12 LEU 30 HD12 LEU 30 4.322 -1.356 -2.006
213 HD13 LEU 30 HD13 LEU 30 4.634 -1.541 -3.736
214 HD21 LEU 30 HD21 LEU 30 6.476 -2.973 -4.526
215 HD22 LEU 30 HD22 LEU 30 7.385 -3.970 -3.391
216 HD23 LEU 30 HD23 LEU 30 7.663 -2.230 -3.452
217 H LEU 31 HN LEU 31 8.007 -1.686 0.481
218 HA LEU 31 HA LEU 31 9.678 -3.038 2.437
219 HB2 LEU 31 HB2 LEU 31 9.121 -0.094 2.187
220 HB3 LEU 31 HB1 LEU 31 10.474 -0.859 3.003
221 HG LEU 31 HG LEU 31 9.943 -0.766 0.044
222 HD11 LEU 31 HD11 LEU 31 12.080 0.393 -0.053
223 HD12 LEU 31 HD12 LEU 31 12.231 0.278 1.699
224 HD13 LEU 31 HD13 LEU 31 10.941 1.247 0.988
225 HD21 LEU 31 HD21 LEU 31 12.023 -2.325 1.554
226 HD22 LEU 31 HD22 LEU 31 12.068 -2.022 -0.184
227 HD23 LEU 31 HD23 LEU 31 10.742 -2.955 0.515
228 H SER 32 HN SER 32 6.882 -0.792 2.562
229 HA SER 32 HA SER 32 6.428 -1.755 5.318
230 HB2 SER 32 HB2 SER 32 5.630 0.693 3.815
231 HB3 SER 32 HB1 SER 32 4.641 0.151 5.158
232 HG SER 32 HG SER 32 6.623 1.667 5.428
233 H GLY 33 HN GLY 33 4.960 -1.493 2.220
234 HA2 GLY 33 HA2 GLY 33 3.487 -2.842 1.157
235 HA3 GLY 33 HA1 GLY 33 3.744 -4.021 2.419
236 H ARG 34 HN ARG 34 2.296 -0.787 2.823
237 HA ARG 34 HA ARG 34 -0.151 -2.188 3.585
238 HB2 ARG 34 HB2 ARG 34 1.330 0.127 4.434
239 HB3 ARG 34 HB1 ARG 34 -0.336 0.586 4.141
240 HG2 ARG 34 HG2 ARG 34 -1.029 -1.213 5.707
241 HG3 ARG 34 HG1 ARG 34 0.679 -1.565 5.998
242 HD2 ARG 34 HD2 ARG 34 1.046 0.610 6.924
243 HD3 ARG 34 HD1 ARG 34 -0.566 1.161 6.441
244 HE ARG 34 HE ARG 34 -1.087 -0.940 8.071
245 HH11 ARG 34 HH11 ARG 34 0.967 1.869 8.451
246 HH12 ARG 34 HH12 ARG 34 0.696 1.994 10.157
247 HH21 ARG 34 HH21 ARG 34 -1.436 -0.782 10.320
248 HH22 ARG 34 HH22 ARG 34 -0.665 0.486 11.221
249 H CYS 35 HN CYS 35 -0.637 -2.565 1.135
250 HA CYS 35 HA CYS 35 -1.724 -0.146 -0.103
251 HB2 CYS 35 HB2 CYS 35 -0.239 -2.036 -1.263
252 HB3 CYS 35 HB1 CYS 35 -1.838 -2.691 -1.598
253 H ARG 36 HN ARG 36 -3.812 0.409 0.252
254 HA ARG 36 HA ARG 36 -5.851 -1.580 -0.394
255 HB2 ARG 36 HB2 ARG 36 -5.699 -0.201 2.251
256 HB3 ARG 36 HB1 ARG 36 -7.255 -0.626 1.567
257 HG2 ARG 36 HG2 ARG 36 -6.994 -2.816 1.953
258 HG3 ARG 36 HG1 ARG 36 -5.258 -2.778 1.669
259 HD2 ARG 36 HD2 ARG 36 -5.157 -3.073 3.893
260 HD3 ARG 36 HD1 ARG 36 -5.378 -1.333 3.932
261 HE ARG 36 HE ARG 36 -7.901 -2.471 4.030
262 HH11 ARG 36 HH11 ARG 36 -4.983 -2.410 5.962
263 HH12 ARG 36 HH12 ARG 36 -5.808 -2.701 7.459
264 HH21 ARG 36 HH21 ARG 36 -9.000 -2.892 6.035
265 HH22 ARG 36 HH22 ARG 36 -8.074 -2.974 7.498
266 H ASP 37 HN ASP 37 -8.125 -0.321 -0.183
267 HA ASP 37 HA ASP 37 -7.801 2.353 -1.372
268 HB2 ASP 37 HB2 ASP 37 -8.237 1.021 -3.264
269 HB3 ASP 37 HB1 ASP 37 -9.427 0.042 -2.412
270 H ASP 38 HN ASP 38 -10.627 0.314 -0.672
271 HA ASP 38 HA ASP 38 -12.208 2.330 0.438
272 HB2 ASP 38 HB2 ASP 38 -13.098 0.166 -0.338
273 HB3 ASP 38 HB1 ASP 38 -12.278 -0.651 0.989
274 H PHE 39 HN PHE 39 -9.985 0.075 1.864
275 HA PHE 39 HA PHE 39 -10.078 1.484 4.431
276 HB2 PHE 39 HB2 PHE 39 -8.391 -0.930 3.863
277 HB3 PHE 39 HB1 PHE 39 -9.072 -0.395 5.394
278 HD1 PHE 39 HD1 PHE 39 -9.405 -2.617 2.663
279 HD2 PHE 39 HD2 PHE 39 -11.640 -0.512 5.617
280 HE1 PHE 39 HE1 PHE 39 -11.285 -4.182 2.365
281 HE2 PHE 39 HE2 PHE 39 -13.512 -2.078 5.327
282 HZ PHE 39 HZ PHE 39 -13.336 -3.916 3.699
283 H ARG 40 HN ARG 40 -7.690 1.804 5.348
284 HA ARG 40 HA ARG 40 -6.165 2.857 3.071
285 HB2 ARG 40 HB2 ARG 40 -6.777 4.295 5.657
286 HB3 ARG 40 HB1 ARG 40 -5.662 4.877 4.433
287 HG2 ARG 40 HG2 ARG 40 -7.500 4.984 2.818
288 HG3 ARG 40 HG1 ARG 40 -8.615 4.444 4.076
289 HD2 ARG 40 HD2 ARG 40 -6.976 6.976 4.093
290 HD3 ARG 40 HD1 ARG 40 -8.716 6.857 3.837
291 HE ARG 40 HE ARG 40 -7.940 5.681 6.309
292 HH11 ARG 40 HH11 ARG 40 -8.506 8.780 4.777
293 HH12 ARG 40 HH12 ARG 40 -8.944 9.568 6.255
294 HH21 ARG 40 HH21 ARG 40 -8.491 6.712 8.249
295 HH22 ARG 40 HH22 ARG 40 -8.935 8.392 8.233
296 H CYS 41 HN CYS 41 -4.222 2.161 3.006
297 HA CYS 41 HA CYS 41 -2.734 1.652 5.480
298 HB2 CYS 41 HB2 CYS 41 -3.390 -0.175 3.245
299 HB3 CYS 41 HB1 CYS 41 -1.762 -0.296 3.875
300 H TRP 42 HN TRP 42 -0.494 2.315 5.400
301 HA TRP 42 HA TRP 42 0.388 3.887 3.106
302 HB2 TRP 42 HB2 TRP 42 1.806 3.250 5.697
303 HB3 TRP 42 HB1 TRP 42 2.373 4.384 4.489
304 HD1 TRP 42 HD1 TRP 42 -0.248 4.007 7.253
305 HE1 TRP 42 HE1 TRP 42 -1.084 6.354 7.908
306 HE3 TRP 42 HE3 TRP 42 2.057 6.744 3.601
307 HZ2 TRP 42 HZ2 TRP 42 -0.801 9.009 6.991
308 HZ3 TRP 42 HZ3 TRP 42 1.724 9.166 3.559
309 HH2 TRP 42 HH2 TRP 42 0.326 10.283 5.217
310 H CYS 43 HN CYS 43 1.202 2.593 1.343
311 HA CYS 43 HA CYS 43 3.066 0.466 2.133
312 HB2 CYS 43 HB2 CYS 43 1.268 -0.034 0.405
313 HB3 CYS 43 HB1 CYS 43 2.189 0.972 -0.717
314 H THR 44 HN THR 44 5.166 0.602 1.909
315 HA THR 44 HA THR 44 6.257 3.098 0.818
316 HB THR 44 HB THR 44 7.595 1.380 2.906
317 HG1 THR 44 HG1 THR 44 6.512 3.560 3.991
318 HG21 THR 44 HG21 THR 44 8.537 3.677 3.487
319 HG22 THR 44 HG22 THR 44 7.936 4.176 1.902
320 HG23 THR 44 HG23 THR 44 9.127 2.881 2.031
321 H ASN 45 HN ASN 45 7.939 3.050 -0.550
322 HA ASN 45 HA ASN 45 9.576 0.727 -0.996
323 HB2 ASN 45 HB2 ASN 45 7.469 0.299 -2.352
324 HB3 ASN 45 HB1 ASN 45 7.884 1.721 -3.301
325 HD21 ASN 45 HD21 ASN 45 8.951 -1.488 -2.374
326 HD22 ASN 45 HD22 ASN 45 9.931 -1.766 -3.767
327 H ARG 46 HN ARG 46 10.820 1.479 -3.352
328 HA ARG 46 HA ARG 46 11.833 4.134 -2.602
329 HB2 ARG 46 HB2 ARG 46 13.172 2.135 -4.425
330 HB3 ARG 46 HB1 ARG 46 13.877 3.585 -3.738
331 HG2 ARG 46 HG2 ARG 46 14.774 2.123 -2.288
332 HG3 ARG 46 HG1 ARG 46 13.213 2.297 -1.482
333 HD2 ARG 46 HD2 ARG 46 12.375 0.337 -2.604
334 HD3 ARG 46 HD1 ARG 46 13.867 0.183 -3.524
335 HE ARG 46 HE ARG 46 14.241 0.128 -0.669
336 HH11 ARG 46 HH11 ARG 46 13.558 -1.771 -3.530
337 HH12 ARG 46 HH12 ARG 46 14.158 -3.248 -2.847
338 HH21 ARG 46 HH21 ARG 46 15.035 -1.820 0.236
339 HH22 ARG 46 HH22 ARG 46 15.004 -3.279 -0.708
340 H CYS 47 HN CYS 47 11.710 5.809 -3.994
341 HA CYS 47 HA CYS 47 10.624 5.225 -6.658
342 HB2 CYS 47 HB2 CYS 47 9.471 7.402 -6.577
343 HB3 CYS 47 HB1 CYS 47 8.933 6.325 -5.298
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 13.653 6.388 6.365
2 H2 LYS 1 HT2 LYS 1 12.460 6.102 7.528
3 H3 LYS 1 HT3 LYS 1 12.178 7.206 6.278
4 HA LYS 1 HA LYS 1 12.595 4.303 5.925
5 HB2 LYS 1 HB2 LYS 1 10.203 4.242 5.337
6 HB3 LYS 1 HB1 LYS 1 10.447 4.773 6.995
7 HG2 LYS 1 HG2 LYS 1 10.135 7.094 6.292
8 HG3 LYS 1 HG1 LYS 1 9.875 6.553 4.636
9 HD2 LYS 1 HD2 LYS 1 7.741 6.979 5.684
10 HD3 LYS 1 HD1 LYS 1 7.920 5.246 5.409
11 HE2 LYS 1 HE2 LYS 1 8.525 4.919 7.741
12 HE3 LYS 1 HE1 LYS 1 8.435 6.654 8.026
13 HZ1 LYS 1 HZ1 LYS 1 6.095 6.611 7.599
14 HZ2 LYS 1 HZ2 LYS 1 6.442 5.434 8.760
15 HZ3 LYS 1 HZ3 LYS 1 6.141 4.980 7.154
16 H THR 2 HN THR 2 11.155 4.014 3.642
17 HA THR 2 HA THR 2 12.523 5.766 1.732
18 HB THR 2 HB THR 2 12.018 4.133 0.019
19 HG1 THR 2 HG1 THR 2 10.152 3.188 0.580
20 HG21 THR 2 HG21 THR 2 13.355 2.241 0.868
21 HG22 THR 2 HG22 THR 2 13.201 2.891 2.499
22 HG23 THR 2 HG23 THR 2 14.068 3.803 1.263
23 H CYS 3 HN CYS 3 10.982 5.841 -0.390
24 HA CYS 3 HA CYS 3 9.096 7.794 0.225
25 HB2 CYS 3 HB2 CYS 3 9.029 6.014 -2.218
26 HB3 CYS 3 HB1 CYS 3 8.399 7.652 -2.074
27 H GLU 4 HN GLU 4 7.275 7.567 1.322
28 HA GLU 4 HA GLU 4 5.859 4.996 1.151
29 HB2 GLU 4 HB2 GLU 4 6.846 5.303 3.353
30 HB3 GLU 4 HB1 GLU 4 6.095 6.887 3.494
31 HG2 GLU 4 HG2 GLU 4 3.871 5.781 3.373
32 HG3 GLU 4 HG1 GLU 4 4.694 4.218 3.419
33 H ASN 5 HN ASN 5 3.899 5.084 0.340
34 HA ASN 5 HA ASN 5 2.460 7.650 0.531
35 HB2 ASN 5 HB2 ASN 5 3.151 6.729 -1.809
36 HB3 ASN 5 HB1 ASN 5 1.834 5.609 -1.528
37 HD21 ASN 5 HD21 ASN 5 -0.264 6.467 -1.148
38 HD22 ASN 5 HD22 ASN 5 -0.715 7.939 -1.931
39 H LEU 6 HN LEU 6 0.333 7.535 0.880
40 HA LEU 6 HA LEU 6 -0.583 5.092 2.181
41 HB2 LEU 6 HB2 LEU 6 -0.797 7.644 3.062
42 HB3 LEU 6 HB1 LEU 6 -2.338 7.454 2.245
43 HG LEU 6 HG LEU 6 -1.275 5.753 4.528
44 HD11 LEU 6 HD11 LEU 6 -3.655 7.608 4.292
45 HD12 LEU 6 HD12 LEU 6 -2.170 7.935 5.184
46 HD13 LEU 6 HD13 LEU 6 -3.240 6.631 5.698
47 HD21 LEU 6 HD21 LEU 6 -3.649 5.404 2.735
48 HD22 LEU 6 HD22 LEU 6 -3.605 4.769 4.380
49 HD23 LEU 6 HD23 LEU 6 -2.406 4.227 3.201
50 H SER 7 HN SER 7 -1.594 3.754 0.955
51 HA SER 7 HA SER 7 -2.818 4.641 -1.512
52 HB2 SER 7 HB2 SER 7 -2.573 1.836 -0.404
53 HB3 SER 7 HB1 SER 7 -2.874 2.309 -2.071
54 HG SER 7 HG SER 7 -0.679 3.524 -1.469
55 H GLY 8 HN GLY 8 -4.904 5.112 -1.608
56 HA2 GLY 8 HA2 GLY 8 -7.048 3.667 -0.903
57 HA3 GLY 8 HA1 GLY 8 -6.640 4.447 0.617
58 H THR 9 HN THR 9 -7.842 6.143 0.977
59 HA THR 9 HA THR 9 -9.286 7.464 -1.071
60 HB THR 9 HB THR 9 -10.311 7.390 1.064
61 HG1 THR 9 HG1 THR 9 -10.432 9.433 -0.193
62 HG21 THR 9 HG21 THR 9 -8.314 7.168 2.452
63 HG22 THR 9 HG22 THR 9 -9.375 8.436 3.066
64 HG23 THR 9 HG23 THR 9 -7.919 8.863 2.166
65 H PHE 10 HN PHE 10 -6.416 8.439 0.841
66 HA PHE 10 HA PHE 10 -6.194 10.853 -0.778
67 HB2 PHE 10 HB2 PHE 10 -3.975 10.221 1.046
68 HB3 PHE 10 HB1 PHE 10 -4.864 11.720 0.841
69 HD1 PHE 10 HD1 PHE 10 -4.603 8.597 2.664
70 HD2 PHE 10 HD2 PHE 10 -6.847 12.174 2.164
71 HE1 PHE 10 HE1 PHE 10 -5.714 8.204 4.832
72 HE2 PHE 10 HE2 PHE 10 -7.965 11.789 4.321
73 HZ PHE 10 HZ PHE 10 -7.395 9.803 5.660
74 H LYS 11 HN LYS 11 -4.497 11.207 -2.214
75 HA LYS 11 HA LYS 11 -2.531 10.906 -3.324
76 HB2 LYS 11 HB2 LYS 11 -1.945 8.898 -1.151
77 HB3 LYS 11 HB1 LYS 11 -0.768 9.678 -2.193
78 HG2 LYS 11 HG2 LYS 11 -0.793 11.610 -1.008
79 HG3 LYS 11 HG1 LYS 11 -2.491 11.437 -0.554
80 HD2 LYS 11 HD2 LYS 11 -1.982 9.879 1.144
81 HD3 LYS 11 HD1 LYS 11 -0.360 9.623 0.533
82 HE2 LYS 11 HE2 LYS 11 -0.298 10.973 2.547
83 HE3 LYS 11 HE1 LYS 11 0.229 11.926 1.162
84 HZ1 LYS 11 HZ1 LYS 11 -1.285 13.140 2.634
85 HZ2 LYS 11 HZ2 LYS 11 -2.499 12.005 2.333
86 HZ3 LYS 11 HZ3 LYS 11 -1.920 12.978 1.075
87 H GLY 12 HN GLY 12 -4.874 9.119 -3.873
88 HA2 GLY 12 HA2 GLY 12 -5.023 7.714 -5.778
89 HA3 GLY 12 HA1 GLY 12 -3.382 7.179 -5.491
90 HA PRO 13 HA PRO 13 -6.600 4.403 -3.272
91 HB2 PRO 13 HB2 PRO 13 -7.701 3.126 -5.588
92 HB3 PRO 13 HB1 PRO 13 -8.528 4.162 -4.424
93 HG2 PRO 13 HG2 PRO 13 -8.093 4.834 -7.053
94 HG3 PRO 13 HG1 PRO 13 -8.325 6.013 -5.751
95 HD2 PRO 13 HD2 PRO 13 -5.779 5.045 -6.997
96 HD3 PRO 13 HD1 PRO 13 -6.260 6.693 -6.539
97 H CYS 14 HN CYS 14 -7.057 1.831 -3.923
98 HA CYS 14 HA CYS 14 -4.803 0.615 -5.215
99 HB2 CYS 14 HB2 CYS 14 -4.366 1.320 -2.607
100 HB3 CYS 14 HB1 CYS 14 -4.935 -0.336 -2.436
101 H ILE 15 HN ILE 15 -6.494 -0.862 -2.467
102 HA ILE 15 HA ILE 15 -8.251 -2.342 -4.260
103 HB ILE 15 HB ILE 15 -7.573 -4.521 -3.399
104 HG12 ILE 15 HG12 ILE 15 -5.522 -2.888 -1.895
105 HG13 ILE 15 HG11 ILE 15 -6.660 -4.083 -1.279
106 HG21 ILE 15 HG21 ILE 15 -5.309 -2.987 -4.667
107 HG22 ILE 15 HG22 ILE 15 -6.632 -3.800 -5.505
108 HG23 ILE 15 HG23 ILE 15 -5.444 -4.744 -4.607
109 HD11 ILE 15 HD11 ILE 15 -4.409 -4.949 -1.256
110 HD12 ILE 15 HD12 ILE 15 -4.265 -4.670 -2.991
111 HD13 ILE 15 HD13 ILE 15 -5.415 -5.860 -2.382
112 HA PRO 16 HA PRO 16 -10.686 -1.946 -0.579
113 HB2 PRO 16 HB2 PRO 16 -13.005 -2.845 -1.563
114 HB3 PRO 16 HB1 PRO 16 -12.286 -1.334 -2.126
115 HG2 PRO 16 HG2 PRO 16 -12.431 -3.971 -3.472
116 HG3 PRO 16 HG1 PRO 16 -12.379 -2.350 -4.178
117 HD2 PRO 16 HD2 PRO 16 -10.216 -4.173 -3.865
118 HD3 PRO 16 HD1 PRO 16 -10.133 -2.502 -4.439
119 H ASP 17 HN ASP 17 -9.159 -4.592 -1.139
120 HA ASP 17 HA ASP 17 -11.012 -6.584 -0.159
121 HB2 ASP 17 HB2 ASP 17 -8.077 -6.792 -0.829
122 HB3 ASP 17 HB1 ASP 17 -9.095 -8.147 -0.356
123 H GLY 18 HN GLY 18 -8.682 -4.461 1.222
124 HA2 GLY 18 HA2 GLY 18 -8.236 -4.074 3.456
125 HA3 GLY 18 HA1 GLY 18 -9.371 -5.351 3.862
126 H ASN 19 HN ASN 19 -6.474 -5.480 1.901
127 HA ASN 19 HA ASN 19 -5.193 -7.355 3.755
128 HB2 ASN 19 HB2 ASN 19 -4.592 -8.790 1.852
129 HB3 ASN 19 HB1 ASN 19 -6.345 -8.642 1.964
130 HD21 ASN 19 HD21 ASN 19 -6.769 -6.215 0.831
131 HD22 ASN 19 HD22 ASN 19 -6.261 -6.167 -0.804
132 H CYS 20 HN CYS 20 -4.580 -4.696 3.567
133 HA CYS 20 HA CYS 20 -3.241 -3.829 1.366
134 HB2 CYS 20 HB2 CYS 20 -2.502 -1.962 2.727
135 HB3 CYS 20 HB1 CYS 20 -4.188 -2.298 3.018
136 H ASN 21 HN ASN 21 -1.530 -4.306 4.468
137 HA ASN 21 HA ASN 21 0.986 -4.075 3.381
138 HB2 ASN 21 HB2 ASN 21 1.893 -5.069 5.409
139 HB3 ASN 21 HB1 ASN 21 0.594 -3.948 5.787
140 HD21 ASN 21 HD21 ASN 21 -1.541 -5.735 5.125
141 HD22 ASN 21 HD22 ASN 21 -1.594 -6.934 6.374
142 H LYS 22 HN LYS 22 -0.821 -7.102 3.836
143 HA LYS 22 HA LYS 22 1.316 -8.731 2.974
144 HB2 LYS 22 HB2 LYS 22 -0.642 -10.392 2.497
145 HB3 LYS 22 HB1 LYS 22 -0.219 -9.962 4.145
146 HG2 LYS 22 HG2 LYS 22 -2.064 -8.389 4.228
147 HG3 LYS 22 HG1 LYS 22 -2.482 -8.757 2.553
148 HD2 LYS 22 HD2 LYS 22 -3.052 -11.001 3.108
149 HD3 LYS 22 HD1 LYS 22 -2.375 -10.841 4.729
150 HE2 LYS 22 HE2 LYS 22 -4.107 -9.311 5.362
151 HE3 LYS 22 HE1 LYS 22 -4.719 -9.251 3.713
152 HZ1 LYS 22 HZ1 LYS 22 -6.084 -10.683 5.042
153 HZ2 LYS 22 HZ2 LYS 22 -4.749 -11.611 5.503
154 HZ3 LYS 22 HZ3 LYS 22 -5.262 -11.611 3.890
155 H HIS 23 HN HIS 23 -1.205 -7.031 1.187
156 HA HIS 23 HA HIS 23 -0.964 -8.477 -1.210
157 HB2 HIS 23 HB2 HIS 23 -2.781 -6.821 -0.734
158 HB3 HIS 23 HB1 HIS 23 -1.609 -5.535 -1.007
159 HD1 HIS 23 HD1 HIS 23 -1.046 -4.947 -3.434
160 HD2 HIS 23 HD2 HIS 23 -3.480 -8.300 -3.069
161 HE1 HIS 23 HE1 HIS 23 -1.830 -5.470 -5.760
162 HE2 HIS 23 HE2 HIS 23 -3.386 -7.434 -5.503
163 H CYS 24 HN CYS 24 0.493 -5.292 -0.451
164 HA CYS 24 HA CYS 24 2.219 -5.161 -2.632
165 HB2 CYS 24 HB2 CYS 24 2.522 -4.154 0.180
166 HB3 CYS 24 HB1 CYS 24 3.805 -3.955 -0.991
167 H ARG 25 HN ARG 25 2.902 -6.496 0.620
168 HA ARG 25 HA ARG 25 5.553 -7.084 0.036
169 HB2 ARG 25 HB2 ARG 25 3.725 -7.745 2.243
170 HB3 ARG 25 HB1 ARG 25 5.192 -8.703 2.102
171 HG2 ARG 25 HG2 ARG 25 6.088 -7.014 3.307
172 HG3 ARG 25 HG1 ARG 25 6.177 -6.254 1.714
173 HD2 ARG 25 HD2 ARG 25 5.123 -4.579 2.925
174 HD3 ARG 25 HD1 ARG 25 3.788 -5.508 2.219
175 HE ARG 25 HE ARG 25 3.236 -6.393 4.275
176 HH11 ARG 25 HH11 ARG 25 6.133 -4.442 4.578
177 HH12 ARG 25 HH12 ARG 25 6.054 -4.385 6.306
178 HH21 ARG 25 HH21 ARG 25 3.153 -6.330 6.535
179 HH22 ARG 25 HH22 ARG 25 4.356 -5.447 7.419
180 H ASN 26 HN ASN 26 2.710 -8.986 -0.478
181 HA ASN 26 HA ASN 26 4.242 -11.425 -0.853
182 HB2 ASN 26 HB2 ASN 26 1.315 -10.774 -1.092
183 HB3 ASN 26 HB1 ASN 26 1.958 -12.297 -1.685
184 HD21 ASN 26 HD21 ASN 26 3.303 -10.730 1.090
185 HD22 ASN 26 HD22 ASN 26 2.724 -11.857 2.265
186 H ASN 27 HN ASN 27 2.588 -9.058 -2.868
187 HA ASN 27 HA ASN 27 3.083 -10.638 -5.248
188 HB2 ASN 27 HB2 ASN 27 1.718 -7.971 -4.875
189 HB3 ASN 27 HB1 ASN 27 1.832 -8.830 -6.407
190 HD21 ASN 27 HD21 ASN 27 0.362 -8.735 -3.258
191 HD22 ASN 27 HD22 ASN 27 -0.855 -9.938 -3.580
192 H GLU 28 HN GLU 28 3.970 -7.373 -4.102
193 HA GLU 28 HA GLU 28 6.039 -7.306 -6.199
194 HB2 GLU 28 HB2 GLU 28 4.302 -5.513 -6.226
195 HB3 GLU 28 HB1 GLU 28 4.850 -4.996 -4.639
196 HG2 GLU 28 HG2 GLU 28 5.758 -3.563 -6.329
197 HG3 GLU 28 HG1 GLU 28 7.054 -4.499 -5.588
198 H HIS 29 HN HIS 29 5.464 -7.371 -2.856
199 HA HIS 29 HA HIS 29 6.722 -7.566 -1.044
200 HB2 HIS 29 HB2 HIS 29 8.146 -9.028 -2.704
201 HB3 HIS 29 HB1 HIS 29 9.316 -7.726 -2.467
202 HD1 HIS 29 HD1 HIS 29 8.577 -7.159 0.537
203 HD2 HIS 29 HD2 HIS 29 9.411 -10.898 -1.065
204 HE1 HIS 29 HE1 HIS 29 9.091 -8.618 2.501
205 HE2 HIS 29 HE2 HIS 29 9.867 -10.796 1.478
206 H LEU 30 HN LEU 30 6.003 -5.124 -1.330
207 HA LEU 30 HA LEU 30 8.295 -3.370 -1.407
208 HB2 LEU 30 HB2 LEU 30 5.478 -2.652 -0.629
209 HB3 LEU 30 HB1 LEU 30 6.778 -1.548 -1.026
210 HG LEU 30 HG LEU 30 5.191 -3.309 -2.869
211 HD11 LEU 30 HD11 LEU 30 4.846 -1.234 -4.068
212 HD12 LEU 30 HD12 LEU 30 5.904 -0.386 -2.940
213 HD13 LEU 30 HD13 LEU 30 4.365 -1.042 -2.377
214 HD21 LEU 30 HD21 LEU 30 7.511 -3.700 -3.444
215 HD22 LEU 30 HD22 LEU 30 7.815 -1.962 -3.481
216 HD23 LEU 30 HD23 LEU 30 6.736 -2.696 -4.669
217 H LEU 31 HN LEU 31 7.809 -1.522 0.587
218 HA LEU 31 HA LEU 31 9.138 -3.116 2.629
219 HB2 LEU 31 HB2 LEU 31 8.913 -0.126 2.512
220 HB3 LEU 31 HB1 LEU 31 10.104 -1.080 3.381
221 HG LEU 31 HG LEU 31 9.832 -0.742 0.412
222 HD11 LEU 31 HD11 LEU 31 10.990 1.067 1.588
223 HD12 LEU 31 HD12 LEU 31 12.098 0.151 0.568
224 HD13 LEU 31 HD13 LEU 31 12.088 -0.109 2.310
225 HD21 LEU 31 HD21 LEU 31 10.336 -3.046 0.784
226 HD22 LEU 31 HD22 LEU 31 11.609 -2.633 1.935
227 HD23 LEU 31 HD23 LEU 31 11.800 -2.233 0.228
228 H SER 32 HN SER 32 6.627 -0.521 2.701
229 HA SER 32 HA SER 32 5.813 -1.656 5.301
230 HB2 SER 32 HB2 SER 32 5.927 0.941 4.644
231 HB3 SER 32 HB1 SER 32 4.291 0.603 4.100
232 HG SER 32 HG SER 32 5.290 0.029 6.700
233 H GLY 33 HN GLY 33 4.872 -1.299 2.022
234 HA2 GLY 33 HA2 GLY 33 3.583 -2.581 0.717
235 HA3 GLY 33 HA1 GLY 33 3.671 -3.779 1.974
236 H ARG 34 HN ARG 34 2.110 -0.882 3.014
237 HA ARG 34 HA ARG 34 -0.291 -2.432 3.298
238 HB2 ARG 34 HB2 ARG 34 -0.163 0.531 3.862
239 HB3 ARG 34 HB1 ARG 34 -1.095 -0.731 4.667
240 HG2 ARG 34 HG2 ARG 34 0.806 -1.545 5.819
241 HG3 ARG 34 HG1 ARG 34 1.881 -0.486 4.897
242 HD2 ARG 34 HD2 ARG 34 0.495 1.465 5.807
243 HD3 ARG 34 HD1 ARG 34 -0.204 0.290 6.928
244 HE ARG 34 HE ARG 34 2.670 0.959 6.823
245 HH11 ARG 34 HH11 ARG 34 -0.164 -0.105 8.597
246 HH12 ARG 34 HH12 ARG 34 0.605 0.035 10.145
247 HH21 ARG 34 HH21 ARG 34 3.668 1.145 8.871
248 HH22 ARG 34 HH22 ARG 34 2.771 0.739 10.300
249 H CYS 35 HN CYS 35 -0.892 -2.799 1.009
250 HA CYS 35 HA CYS 35 -1.931 -0.445 -0.365
251 HB2 CYS 35 HB2 CYS 35 -0.702 -1.767 -1.854
252 HB3 CYS 35 HB1 CYS 35 -1.429 -3.255 -1.261
253 H ARG 36 HN ARG 36 -3.954 0.244 -0.010
254 HA ARG 36 HA ARG 36 -6.134 -1.648 -0.358
255 HB2 ARG 36 HB2 ARG 36 -5.492 -0.366 2.204
256 HB3 ARG 36 HB1 ARG 36 -7.180 -0.316 1.742
257 HG2 ARG 36 HG2 ARG 36 -7.229 -2.736 1.602
258 HG3 ARG 36 HG1 ARG 36 -5.517 -2.820 2.004
259 HD2 ARG 36 HD2 ARG 36 -6.393 -1.309 4.049
260 HD3 ARG 36 HD1 ARG 36 -7.858 -2.207 3.683
261 HE ARG 36 HE ARG 36 -6.124 -4.187 3.926
262 HH11 ARG 36 HH11 ARG 36 -6.597 -1.348 5.910
263 HH12 ARG 36 HH12 ARG 36 -6.247 -2.165 7.397
264 HH21 ARG 36 HH21 ARG 36 -5.711 -5.291 5.914
265 HH22 ARG 36 HH22 ARG 36 -5.744 -4.397 7.398
266 H ASP 37 HN ASP 37 -8.298 -0.449 -0.373
267 HA ASP 37 HA ASP 37 -7.945 2.194 -1.631
268 HB2 ASP 37 HB2 ASP 37 -8.481 0.712 -3.393
269 HB3 ASP 37 HB1 ASP 37 -9.705 -0.114 -2.435
270 H ASP 38 HN ASP 38 -10.759 0.264 -0.567
271 HA ASP 38 HA ASP 38 -12.250 2.449 0.355
272 HB2 ASP 38 HB2 ASP 38 -13.200 0.187 -0.084
273 HB3 ASP 38 HB1 ASP 38 -12.387 -0.406 1.363
274 H PHE 39 HN PHE 39 -9.898 0.428 1.857
275 HA PHE 39 HA PHE 39 -10.017 1.942 4.363
276 HB2 PHE 39 HB2 PHE 39 -8.269 -0.443 3.932
277 HB3 PHE 39 HB1 PHE 39 -9.028 0.114 5.413
278 HD1 PHE 39 HD1 PHE 39 -9.358 -2.020 2.494
279 HD2 PHE 39 HD2 PHE 39 -11.439 -0.282 5.789
280 HE1 PHE 39 HE1 PHE 39 -11.189 -3.632 2.195
281 HE2 PHE 39 HE2 PHE 39 -13.264 -1.900 5.488
282 HZ PHE 39 HZ PHE 39 -13.141 -3.576 3.690
283 H ARG 40 HN ARG 40 -7.685 2.354 5.276
284 HA ARG 40 HA ARG 40 -6.133 3.406 3.000
285 HB2 ARG 40 HB2 ARG 40 -5.472 5.247 4.668
286 HB3 ARG 40 HB1 ARG 40 -7.097 5.309 4.000
287 HG2 ARG 40 HG2 ARG 40 -8.004 4.348 6.022
288 HG3 ARG 40 HG1 ARG 40 -6.384 4.155 6.690
289 HD2 ARG 40 HD2 ARG 40 -7.472 6.830 5.871
290 HD3 ARG 40 HD1 ARG 40 -7.751 6.157 7.474
291 HE ARG 40 HE ARG 40 -5.012 6.044 6.987
292 HH11 ARG 40 HH11 ARG 40 -7.509 8.459 7.381
293 HH12 ARG 40 HH12 ARG 40 -6.433 9.656 8.031
294 HH21 ARG 40 HH21 ARG 40 -3.589 7.603 7.884
295 HH22 ARG 40 HH22 ARG 40 -4.203 9.166 8.317
296 H CYS 41 HN CYS 41 -4.231 2.540 2.843
297 HA CYS 41 HA CYS 41 -2.756 1.844 5.265
298 HB2 CYS 41 HB2 CYS 41 -3.855 0.084 3.251
299 HB3 CYS 41 HB1 CYS 41 -2.134 -0.166 3.464
300 H TRP 42 HN TRP 42 -0.571 2.418 5.227
301 HA TRP 42 HA TRP 42 0.494 3.836 2.928
302 HB2 TRP 42 HB2 TRP 42 1.798 3.117 5.558
303 HB3 TRP 42 HB1 TRP 42 2.517 4.145 4.336
304 HD1 TRP 42 HD1 TRP 42 -0.038 4.155 7.141
305 HE1 TRP 42 HE1 TRP 42 -0.687 6.590 7.661
306 HE3 TRP 42 HE3 TRP 42 2.234 6.479 3.187
307 HZ2 TRP 42 HZ2 TRP 42 -0.291 9.151 6.541
308 HZ3 TRP 42 HZ3 TRP 42 2.046 8.907 2.982
309 HH2 TRP 42 HH2 TRP 42 0.805 10.225 4.620
310 H CYS 43 HN CYS 43 1.219 2.498 1.186
311 HA CYS 43 HA CYS 43 3.042 0.322 1.956
312 HB2 CYS 43 HB2 CYS 43 1.291 -0.217 0.271
313 HB3 CYS 43 HB1 CYS 43 2.027 0.946 -0.833
314 H THR 44 HN THR 44 5.065 0.724 2.116
315 HA THR 44 HA THR 44 6.236 3.128 0.946
316 HB THR 44 HB THR 44 7.492 1.272 2.968
317 HG1 THR 44 HG1 THR 44 6.448 3.592 3.956
318 HG21 THR 44 HG21 THR 44 8.007 4.129 2.176
319 HG22 THR 44 HG22 THR 44 9.095 2.747 2.027
320 HG23 THR 44 HG23 THR 44 8.682 3.375 3.620
321 H ASN 45 HN ASN 45 7.852 3.097 -0.507
322 HA ASN 45 HA ASN 45 9.600 0.828 -0.829
323 HB2 ASN 45 HB2 ASN 45 7.592 0.282 -2.267
324 HB3 ASN 45 HB1 ASN 45 7.967 1.712 -3.221
325 HD21 ASN 45 HD21 ASN 45 9.158 -1.426 -2.205
326 HD22 ASN 45 HD22 ASN 45 10.218 -1.669 -3.550
327 H ARG 46 HN ARG 46 10.978 1.540 -3.072
328 HA ARG 46 HA ARG 46 11.946 4.181 -2.262
329 HB2 ARG 46 HB2 ARG 46 13.335 2.186 -4.057
330 HB3 ARG 46 HB1 ARG 46 14.028 3.621 -3.332
331 HG2 ARG 46 HG2 ARG 46 14.851 2.117 -1.886
332 HG3 ARG 46 HG1 ARG 46 13.287 2.376 -1.111
333 HD2 ARG 46 HD2 ARG 46 12.385 0.423 -2.201
334 HD3 ARG 46 HD1 ARG 46 13.889 0.181 -3.084
335 HE ARG 46 HE ARG 46 14.393 0.231 -0.308
336 HH11 ARG 46 HH11 ARG 46 13.014 -1.839 -2.772
337 HH12 ARG 46 HH12 ARG 46 13.393 -3.301 -1.924
338 HH21 ARG 46 HH21 ARG 46 14.908 -1.676 0.788
339 HH22 ARG 46 HH22 ARG 46 14.476 -3.211 0.104
340 H CYS 47 HN CYS 47 11.755 5.905 -3.554
341 HA CYS 47 HA CYS 47 10.795 5.433 -6.293
342 HB2 CYS 47 HB2 CYS 47 9.584 7.524 -6.185
343 HB3 CYS 47 HB1 CYS 47 9.129 6.535 -4.806
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 12.106 6.678 7.838
2 H2 LYS 1 HT2 LYS 1 11.696 7.709 6.562
3 H3 LYS 1 HT3 LYS 1 13.266 7.095 6.681
4 HA LYS 1 HA LYS 1 12.515 4.887 6.269
5 HB2 LYS 1 HB2 LYS 1 10.105 4.567 5.584
6 HB3 LYS 1 HB1 LYS 1 10.375 4.860 7.294
7 HG2 LYS 1 HG2 LYS 1 9.801 7.253 6.888
8 HG3 LYS 1 HG1 LYS 1 9.346 6.805 5.247
9 HD2 LYS 1 HD2 LYS 1 7.552 5.493 5.975
10 HD3 LYS 1 HD1 LYS 1 8.181 5.389 7.621
11 HE2 LYS 1 HE2 LYS 1 6.361 6.876 7.738
12 HE3 LYS 1 HE1 LYS 1 7.799 7.892 7.772
13 HZ1 LYS 1 HZ1 LYS 1 5.956 7.428 5.500
14 HZ2 LYS 1 HZ2 LYS 1 7.465 8.177 5.322
15 HZ3 LYS 1 HZ3 LYS 1 6.282 8.889 6.293
16 H THR 2 HN THR 2 10.948 4.407 4.066
17 HA THR 2 HA THR 2 12.418 5.916 2.045
18 HB THR 2 HB THR 2 11.347 3.926 0.668
19 HG1 THR 2 HG1 THR 2 11.962 2.343 2.783
20 HG21 THR 2 HG21 THR 2 13.459 2.709 1.026
21 HG22 THR 2 HG22 THR 2 13.796 3.750 2.413
22 HG23 THR 2 HG23 THR 2 13.716 4.437 0.789
23 H CYS 3 HN CYS 3 11.067 5.865 -0.148
24 HA CYS 3 HA CYS 3 9.142 7.864 0.175
25 HB2 CYS 3 HB2 CYS 3 9.372 5.981 -2.179
26 HB3 CYS 3 HB1 CYS 3 8.729 7.623 -2.184
27 H GLU 4 HN GLU 4 7.204 7.690 1.050
28 HA GLU 4 HA GLU 4 5.770 5.136 0.799
29 HB2 GLU 4 HB2 GLU 4 6.772 5.274 3.022
30 HB3 GLU 4 HB1 GLU 4 6.070 6.864 3.263
31 HG2 GLU 4 HG2 GLU 4 3.804 5.771 3.029
32 HG3 GLU 4 HG1 GLU 4 4.643 4.213 3.129
33 H ASN 5 HN ASN 5 3.667 5.290 0.312
34 HA ASN 5 HA ASN 5 2.380 7.885 0.746
35 HB2 ASN 5 HB2 ASN 5 1.389 7.978 -1.359
36 HB3 ASN 5 HB1 ASN 5 3.008 7.425 -1.717
37 HD21 ASN 5 HD21 ASN 5 -0.332 6.529 -1.454
38 HD22 ASN 5 HD22 ASN 5 -0.228 5.082 -2.406
39 H LEU 6 HN LEU 6 0.112 7.744 0.958
40 HA LEU 6 HA LEU 6 -0.648 5.249 2.230
41 HB2 LEU 6 HB2 LEU 6 -1.072 7.799 3.003
42 HB3 LEU 6 HB1 LEU 6 -2.568 7.490 2.142
43 HG LEU 6 HG LEU 6 -1.503 5.915 4.518
44 HD11 LEU 6 HD11 LEU 6 -2.457 8.082 5.108
45 HD12 LEU 6 HD12 LEU 6 -3.525 6.774 5.614
46 HD13 LEU 6 HD13 LEU 6 -3.909 7.717 4.176
47 HD21 LEU 6 HD21 LEU 6 -3.835 5.464 2.692
48 HD22 LEU 6 HD22 LEU 6 -3.795 4.856 4.348
49 HD23 LEU 6 HD23 LEU 6 -2.569 4.331 3.190
50 H SER 7 HN SER 7 -1.685 3.786 1.175
51 HA SER 7 HA SER 7 -2.949 4.373 -1.361
52 HB2 SER 7 HB2 SER 7 -2.487 1.733 0.048
53 HB3 SER 7 HB1 SER 7 -2.967 1.959 -1.628
54 HG SER 7 HG SER 7 -0.968 2.967 -2.010
55 H GLY 8 HN GLY 8 -5.030 4.852 -1.396
56 HA2 GLY 8 HA2 GLY 8 -7.072 3.252 -0.429
57 HA3 GLY 8 HA1 GLY 8 -6.785 4.468 0.807
58 H THR 9 HN THR 9 -6.233 6.680 -0.596
59 HA THR 9 HA THR 9 -8.028 7.275 -2.685
60 HB THR 9 HB THR 9 -9.796 6.949 -1.056
61 HG1 THR 9 HG1 THR 9 -10.234 8.663 -2.392
62 HG21 THR 9 HG21 THR 9 -8.366 8.972 0.671
63 HG22 THR 9 HG22 THR 9 -8.484 7.243 0.992
64 HG23 THR 9 HG23 THR 9 -9.936 8.245 1.013
65 H PHE 10 HN PHE 10 -6.688 8.628 0.295
66 HA PHE 10 HA PHE 10 -5.753 11.053 -0.863
67 HB2 PHE 10 HB2 PHE 10 -6.164 10.380 1.632
68 HB3 PHE 10 HB1 PHE 10 -4.558 9.673 1.541
69 HD1 PHE 10 HD1 PHE 10 -2.789 10.946 2.205
70 HD2 PHE 10 HD2 PHE 10 -6.299 12.882 0.785
71 HE1 PHE 10 HE1 PHE 10 -1.820 13.134 2.791
72 HE2 PHE 10 HE2 PHE 10 -5.330 15.070 1.357
73 HZ PHE 10 HZ PHE 10 -3.089 15.198 2.362
74 H LYS 11 HN LYS 11 -3.734 11.417 -1.834
75 HA LYS 11 HA LYS 11 -1.911 10.889 -3.083
76 HB2 LYS 11 HB2 LYS 11 -1.776 8.488 -1.293
77 HB3 LYS 11 HB1 LYS 11 -0.658 8.722 -2.622
78 HG2 LYS 11 HG2 LYS 11 0.467 9.465 -0.714
79 HG3 LYS 11 HG1 LYS 11 -0.058 10.925 -1.541
80 HD2 LYS 11 HD2 LYS 11 -1.873 11.211 -0.010
81 HD3 LYS 11 HD1 LYS 11 -1.549 9.649 0.745
82 HE2 LYS 11 HE2 LYS 11 -0.682 11.488 2.106
83 HE3 LYS 11 HE1 LYS 11 0.628 10.474 1.507
84 HZ1 LYS 11 HZ1 LYS 11 -0.208 13.043 0.273
85 HZ2 LYS 11 HZ2 LYS 11 1.117 12.095 -0.176
86 HZ3 LYS 11 HZ3 LYS 11 1.099 12.864 1.327
87 H GLY 12 HN GLY 12 -3.051 7.683 -2.563
88 HA2 GLY 12 HA2 GLY 12 -4.449 7.506 -5.058
89 HA3 GLY 12 HA1 GLY 12 -2.889 6.695 -5.107
90 HA PRO 13 HA PRO 13 -5.987 3.894 -2.953
91 HB2 PRO 13 HB2 PRO 13 -7.191 2.783 -5.244
92 HB3 PRO 13 HB1 PRO 13 -7.912 3.951 -4.139
93 HG2 PRO 13 HG2 PRO 13 -7.263 4.408 -6.821
94 HG3 PRO 13 HG1 PRO 13 -7.632 5.650 -5.613
95 HD2 PRO 13 HD2 PRO 13 -4.980 4.685 -6.594
96 HD3 PRO 13 HD1 PRO 13 -5.491 6.324 -6.138
97 H CYS 14 HN CYS 14 -6.499 1.381 -3.828
98 HA CYS 14 HA CYS 14 -4.351 0.232 -5.316
99 HB2 CYS 14 HB2 CYS 14 -3.467 0.720 -2.907
100 HB3 CYS 14 HB1 CYS 14 -4.415 -0.691 -2.461
101 H ILE 15 HN ILE 15 -6.191 -1.190 -2.581
102 HA ILE 15 HA ILE 15 -7.940 -2.608 -4.438
103 HB ILE 15 HB ILE 15 -7.469 -4.799 -3.360
104 HG12 ILE 15 HG12 ILE 15 -4.957 -3.457 -2.349
105 HG13 ILE 15 HG11 ILE 15 -6.371 -3.773 -1.347
106 HG21 ILE 15 HG21 ILE 15 -6.568 -4.317 -5.562
107 HG22 ILE 15 HG22 ILE 15 -5.427 -5.287 -4.629
108 HG23 ILE 15 HG23 ILE 15 -5.153 -3.556 -4.835
109 HD11 ILE 15 HD11 ILE 15 -4.638 -5.449 -1.051
110 HD12 ILE 15 HD12 ILE 15 -4.745 -5.857 -2.765
111 HD13 ILE 15 HD13 ILE 15 -6.121 -6.143 -1.701
112 HA PRO 16 HA PRO 16 -10.502 -1.830 -0.919
113 HB2 PRO 16 HB2 PRO 16 -12.851 -2.640 -1.987
114 HB3 PRO 16 HB1 PRO 16 -12.024 -1.165 -2.490
115 HG2 PRO 16 HG2 PRO 16 -12.345 -3.709 -3.923
116 HG3 PRO 16 HG1 PRO 16 -11.964 -2.103 -4.558
117 HD2 PRO 16 HD2 PRO 16 -10.167 -4.287 -4.029
118 HD3 PRO 16 HD1 PRO 16 -9.790 -2.697 -4.710
119 H ASP 17 HN ASP 17 -9.073 -4.194 -0.454
120 HA ASP 17 HA ASP 17 -11.185 -6.043 0.457
121 HB2 ASP 17 HB2 ASP 17 -8.351 -6.582 -0.384
122 HB3 ASP 17 HB1 ASP 17 -9.303 -7.758 0.515
123 H GLY 18 HN GLY 18 -8.542 -4.072 1.499
124 HA2 GLY 18 HA2 GLY 18 -8.299 -3.339 3.724
125 HA3 GLY 18 HA1 GLY 18 -9.256 -4.703 4.258
126 H ASN 19 HN ASN 19 -7.185 -6.051 2.258
127 HA ASN 19 HA ASN 19 -5.393 -6.870 4.398
128 HB2 ASN 19 HB2 ASN 19 -4.709 -8.550 2.513
129 HB3 ASN 19 HB1 ASN 19 -6.244 -8.756 3.342
130 HD21 ASN 19 HD21 ASN 19 -5.665 -6.250 0.979
131 HD22 ASN 19 HD22 ASN 19 -6.752 -6.862 -0.210
132 H CYS 20 HN CYS 20 -4.582 -4.527 4.049
133 HA CYS 20 HA CYS 20 -3.340 -3.796 1.708
134 HB2 CYS 20 HB2 CYS 20 -2.325 -1.982 3.031
135 HB3 CYS 20 HB1 CYS 20 -4.052 -2.126 3.249
136 H ASN 21 HN ASN 21 -1.820 -5.015 4.698
137 HA ASN 21 HA ASN 21 0.805 -4.726 3.739
138 HB2 ASN 21 HB2 ASN 21 -0.393 -6.401 5.922
139 HB3 ASN 21 HB1 ASN 21 1.312 -6.541 5.523
140 HD21 ASN 21 HD21 ASN 21 1.471 -3.700 4.808
141 HD22 ASN 21 HD22 ASN 21 1.484 -2.870 6.320
142 H LYS 22 HN LYS 22 -1.088 -7.744 3.989
143 HA LYS 22 HA LYS 22 0.872 -9.360 2.927
144 HB2 LYS 22 HB2 LYS 22 -0.779 -11.024 2.726
145 HB3 LYS 22 HB1 LYS 22 -1.271 -10.041 4.088
146 HG2 LYS 22 HG2 LYS 22 -2.858 -8.861 2.616
147 HG3 LYS 22 HG1 LYS 22 -2.397 -9.938 1.303
148 HD2 LYS 22 HD2 LYS 22 -4.422 -10.755 2.282
149 HD3 LYS 22 HD1 LYS 22 -3.111 -11.861 2.687
150 HE2 LYS 22 HE2 LYS 22 -2.937 -10.862 4.903
151 HE3 LYS 22 HE1 LYS 22 -4.210 -9.713 4.497
152 HZ1 LYS 22 HZ1 LYS 22 -4.496 -12.660 4.702
153 HZ2 LYS 22 HZ2 LYS 22 -5.722 -11.607 4.205
154 HZ3 LYS 22 HZ3 LYS 22 -5.115 -11.511 5.778
155 H HIS 23 HN HIS 23 -1.483 -7.349 1.223
156 HA HIS 23 HA HIS 23 -1.097 -8.654 -1.271
157 HB2 HIS 23 HB2 HIS 23 -3.087 -7.208 -0.683
158 HB3 HIS 23 HB1 HIS 23 -2.041 -5.813 -0.945
159 HD1 HIS 23 HD1 HIS 23 -1.783 -5.022 -3.326
160 HD2 HIS 23 HD2 HIS 23 -3.453 -8.822 -3.073
161 HE1 HIS 23 HE1 HIS 23 -2.502 -5.605 -5.662
162 HE2 HIS 23 HE2 HIS 23 -3.614 -7.854 -5.464
163 H CYS 24 HN CYS 24 0.049 -5.458 -0.104
164 HA CYS 24 HA CYS 24 1.603 -4.837 -2.354
165 HB2 CYS 24 HB2 CYS 24 1.188 -3.687 0.208
166 HB3 CYS 24 HB1 CYS 24 2.894 -3.958 0.056
167 H ARG 25 HN ARG 25 2.196 -6.902 0.370
168 HA ARG 25 HA ARG 25 5.051 -6.994 -0.088
169 HB2 ARG 25 HB2 ARG 25 3.338 -8.412 1.943
170 HB3 ARG 25 HB1 ARG 25 5.090 -8.352 1.936
171 HG2 ARG 25 HG2 ARG 25 3.317 -5.947 2.118
172 HG3 ARG 25 HG1 ARG 25 4.041 -6.759 3.511
173 HD2 ARG 25 HD2 ARG 25 5.921 -6.093 1.373
174 HD3 ARG 25 HD1 ARG 25 5.183 -4.683 2.137
175 HE ARG 25 HE ARG 25 6.035 -5.495 4.264
176 HH11 ARG 25 HH11 ARG 25 7.441 -6.950 1.404
177 HH12 ARG 25 HH12 ARG 25 8.858 -7.497 2.233
178 HH21 ARG 25 HH21 ARG 25 7.908 -6.204 5.337
179 HH22 ARG 25 HH22 ARG 25 9.129 -7.067 4.458
180 H ASN 26 HN ASN 26 2.256 -8.965 -0.768
181 HA ASN 26 HA ASN 26 3.905 -11.322 -1.237
182 HB2 ASN 26 HB2 ASN 26 0.962 -10.799 -1.303
183 HB3 ASN 26 HB1 ASN 26 1.601 -12.193 -2.158
184 HD21 ASN 26 HD21 ASN 26 3.084 -11.005 0.737
185 HD22 ASN 26 HD22 ASN 26 2.617 -12.318 1.753
186 H ASN 27 HN ASN 27 1.946 -9.092 -3.175
187 HA ASN 27 HA ASN 27 2.720 -10.502 -5.584
188 HB2 ASN 27 HB2 ASN 27 1.039 -9.383 -6.685
189 HB3 ASN 27 HB1 ASN 27 0.413 -9.349 -5.046
190 HD21 ASN 27 HD21 ASN 27 0.691 -7.385 -3.812
191 HD22 ASN 27 HD22 ASN 27 0.764 -5.867 -4.660
192 H GLU 28 HN GLU 28 3.427 -7.390 -4.045
193 HA GLU 28 HA GLU 28 5.264 -6.834 -6.273
194 HB2 GLU 28 HB2 GLU 28 3.343 -5.228 -5.711
195 HB3 GLU 28 HB1 GLU 28 4.266 -4.809 -4.280
196 HG2 GLU 28 HG2 GLU 28 4.692 -3.192 -5.978
197 HG3 GLU 28 HG1 GLU 28 6.147 -4.158 -5.740
198 H HIS 29 HN HIS 29 5.014 -7.330 -2.860
199 HA HIS 29 HA HIS 29 6.526 -7.692 -1.241
200 HB2 HIS 29 HB2 HIS 29 7.508 -9.166 -3.074
201 HB3 HIS 29 HB1 HIS 29 8.637 -7.857 -3.398
202 HD1 HIS 29 HD1 HIS 29 7.683 -10.274 -0.639
203 HD2 HIS 29 HD2 HIS 29 10.837 -7.806 -1.765
204 HE1 HIS 29 HE1 HIS 29 9.554 -10.796 0.954
205 HE2 HIS 29 HE2 HIS 29 11.503 -9.416 0.146
206 H LEU 30 HN LEU 30 5.850 -5.119 -1.526
207 HA LEU 30 HA LEU 30 8.162 -3.451 -1.857
208 HB2 LEU 30 HB2 LEU 30 5.466 -2.724 -0.715
209 HB3 LEU 30 HB1 LEU 30 6.736 -1.600 -1.158
210 HG LEU 30 HG LEU 30 4.993 -3.252 -2.962
211 HD11 LEU 30 HD11 LEU 30 4.176 -1.047 -2.273
212 HD12 LEU 30 HD12 LEU 30 4.537 -1.107 -4.001
213 HD13 LEU 30 HD13 LEU 30 5.658 -0.316 -2.895
214 HD21 LEU 30 HD21 LEU 30 7.217 -3.593 -3.799
215 HD22 LEU 30 HD22 LEU 30 7.569 -1.870 -3.677
216 HD23 LEU 30 HD23 LEU 30 6.378 -2.446 -4.841
217 H LEU 31 HN LEU 31 7.804 -1.593 0.257
218 HA LEU 31 HA LEU 31 9.503 -3.060 2.098
219 HB2 LEU 31 HB2 LEU 31 8.925 -0.115 2.113
220 HB3 LEU 31 HB1 LEU 31 10.320 -0.947 2.784
221 HG LEU 31 HG LEU 31 9.643 -0.651 -0.130
222 HD11 LEU 31 HD11 LEU 31 11.885 0.488 1.525
223 HD12 LEU 31 HD12 LEU 31 10.519 1.381 0.862
224 HD13 LEU 31 HD13 LEU 31 11.711 0.659 -0.220
225 HD21 LEU 31 HD21 LEU 31 10.620 -2.801 0.199
226 HD22 LEU 31 HD22 LEU 31 11.902 -2.121 1.203
227 HD23 LEU 31 HD23 LEU 31 11.832 -1.738 -0.517
228 H SER 32 HN SER 32 6.585 -1.004 2.321
229 HA SER 32 HA SER 32 6.344 -1.936 5.137
230 HB2 SER 32 HB2 SER 32 5.465 0.571 3.745
231 HB3 SER 32 HB1 SER 32 4.640 0.019 5.188
232 HG SER 32 HG SER 32 6.585 1.534 5.293
233 H GLY 33 HN GLY 33 4.826 -1.441 2.146
234 HA2 GLY 33 HA2 GLY 33 3.382 -2.683 0.998
235 HA3 GLY 33 HA1 GLY 33 3.583 -3.952 2.184
236 H ARG 34 HN ARG 34 2.269 -0.762 2.977
237 HA ARG 34 HA ARG 34 -0.165 -2.083 3.804
238 HB2 ARG 34 HB2 ARG 34 1.330 0.310 4.300
239 HB3 ARG 34 HB1 ARG 34 -0.340 0.751 4.028
240 HG2 ARG 34 HG2 ARG 34 -1.012 -0.699 5.869
241 HG3 ARG 34 HG1 ARG 34 0.656 -1.250 6.063
242 HD2 ARG 34 HD2 ARG 34 1.341 1.070 6.533
243 HD3 ARG 34 HD1 ARG 34 -0.347 1.594 6.414
244 HE ARG 34 HE ARG 34 -0.669 -0.100 8.325
245 HH11 ARG 34 HH11 ARG 34 2.251 1.789 7.845
246 HH12 ARG 34 HH12 ARG 34 2.683 1.772 9.521
247 HH21 ARG 34 HH21 ARG 34 -0.095 -0.113 10.530
248 HH22 ARG 34 HH22 ARG 34 1.347 0.700 11.051
249 H CYS 35 HN CYS 35 -0.705 -2.760 1.445
250 HA CYS 35 HA CYS 35 -1.770 -0.547 -0.135
251 HB2 CYS 35 HB2 CYS 35 -0.547 -1.722 -1.641
252 HB3 CYS 35 HB1 CYS 35 -0.817 -3.251 -0.815
253 H ARG 36 HN ARG 36 -3.850 0.059 0.227
254 HA ARG 36 HA ARG 36 -5.756 -1.841 -0.749
255 HB2 ARG 36 HB2 ARG 36 -7.411 -1.385 1.146
256 HB3 ARG 36 HB1 ARG 36 -6.151 -2.566 1.413
257 HG2 ARG 36 HG2 ARG 36 -4.879 -0.656 2.541
258 HG3 ARG 36 HG1 ARG 36 -6.433 0.176 2.556
259 HD2 ARG 36 HD2 ARG 36 -7.394 -1.879 3.627
260 HD3 ARG 36 HD1 ARG 36 -5.761 -2.479 3.837
261 HE ARG 36 HE ARG 36 -6.100 0.152 4.913
262 HH11 ARG 36 HH11 ARG 36 -6.598 -3.254 5.651
263 HH12 ARG 36 HH12 ARG 36 -6.691 -2.980 7.360
264 HH21 ARG 36 HH21 ARG 36 -6.239 0.473 7.168
265 HH22 ARG 36 HH22 ARG 36 -6.490 -0.888 8.215
266 H ASP 37 HN ASP 37 -8.103 -0.708 -0.501
267 HA ASP 37 HA ASP 37 -7.742 1.943 -1.733
268 HB2 ASP 37 HB2 ASP 37 -8.176 0.432 -3.511
269 HB3 ASP 37 HB1 ASP 37 -9.449 -0.378 -2.608
270 H ASP 38 HN ASP 38 -10.595 0.011 -0.883
271 HA ASP 38 HA ASP 38 -12.143 2.151 -0.022
272 HB2 ASP 38 HB2 ASP 38 -13.089 -0.027 -0.551
273 HB3 ASP 38 HB1 ASP 38 -12.262 -0.743 0.829
274 H PHE 39 HN PHE 39 -9.888 0.123 1.716
275 HA PHE 39 HA PHE 39 -10.102 1.914 4.038
276 HB2 PHE 39 HB2 PHE 39 -8.523 -0.639 3.946
277 HB3 PHE 39 HB1 PHE 39 -9.130 0.208 5.354
278 HD1 PHE 39 HD1 PHE 39 -11.521 0.094 5.925
279 HD2 PHE 39 HD2 PHE 39 -9.847 -2.266 2.781
280 HE1 PHE 39 HE1 PHE 39 -13.499 -1.362 5.968
281 HE2 PHE 39 HE2 PHE 39 -11.835 -3.713 2.826
282 HZ PHE 39 HZ PHE 39 -13.660 -3.267 4.419
283 H ARG 40 HN ARG 40 -7.796 2.416 4.983
284 HA ARG 40 HA ARG 40 -6.091 2.960 2.648
285 HB2 ARG 40 HB2 ARG 40 -5.603 5.183 3.586
286 HB3 ARG 40 HB1 ARG 40 -7.308 4.978 3.227
287 HG2 ARG 40 HG2 ARG 40 -7.758 4.569 5.595
288 HG3 ARG 40 HG1 ARG 40 -6.044 4.784 5.952
289 HD2 ARG 40 HD2 ARG 40 -6.189 7.079 5.030
290 HD3 ARG 40 HD1 ARG 40 -7.924 6.849 4.817
291 HE ARG 40 HE ARG 40 -6.990 6.377 7.502
292 HH11 ARG 40 HH11 ARG 40 -8.236 8.735 5.236
293 HH12 ARG 40 HH12 ARG 40 -8.734 9.847 6.469
294 HH21 ARG 40 HH21 ARG 40 -7.655 7.848 9.139
295 HH22 ARG 40 HH22 ARG 40 -8.410 9.342 8.683
296 H CYS 41 HN CYS 41 -4.128 2.285 2.794
297 HA CYS 41 HA CYS 41 -2.801 2.058 5.410
298 HB2 CYS 41 HB2 CYS 41 -3.464 -0.015 3.456
299 HB3 CYS 41 HB1 CYS 41 -1.800 -0.064 3.964
300 H TRP 42 HN TRP 42 -0.561 2.718 5.387
301 HA TRP 42 HA TRP 42 0.456 4.055 3.033
302 HB2 TRP 42 HB2 TRP 42 1.753 3.480 5.697
303 HB3 TRP 42 HB1 TRP 42 2.467 4.474 4.443
304 HD1 TRP 42 HD1 TRP 42 -0.166 4.530 7.181
305 HE1 TRP 42 HE1 TRP 42 -0.915 6.961 7.564
306 HE3 TRP 42 HE3 TRP 42 2.179 6.741 3.217
307 HZ2 TRP 42 HZ2 TRP 42 -0.560 9.475 6.345
308 HZ3 TRP 42 HZ3 TRP 42 1.929 9.154 2.897
309 HH2 TRP 42 HH2 TRP 42 0.586 10.502 4.428
310 H CYS 43 HN CYS 43 1.158 2.619 1.320
311 HA CYS 43 HA CYS 43 3.033 0.523 2.159
312 HB2 CYS 43 HB2 CYS 43 1.281 -0.067 0.447
313 HB3 CYS 43 HB1 CYS 43 2.116 0.993 -0.689
314 H THR 44 HN THR 44 5.108 0.760 2.109
315 HA THR 44 HA THR 44 6.225 3.222 1.007
316 HB THR 44 HB THR 44 7.606 1.333 2.914
317 HG1 THR 44 HG1 THR 44 6.270 3.658 3.791
318 HG21 THR 44 HG21 THR 44 8.018 4.168 2.054
319 HG22 THR 44 HG22 THR 44 9.162 2.828 2.059
320 HG23 THR 44 HG23 THR 44 8.663 3.567 3.580
321 H ASN 45 HN ASN 45 7.870 3.245 -0.403
322 HA ASN 45 HA ASN 45 9.391 0.885 -1.078
323 HB2 ASN 45 HB2 ASN 45 7.290 0.786 -2.492
324 HB3 ASN 45 HB1 ASN 45 7.803 2.294 -3.238
325 HD21 ASN 45 HD21 ASN 45 8.713 -1.060 -2.718
326 HD22 ASN 45 HD22 ASN 45 9.661 -1.218 -4.157
327 H ARG 46 HN ARG 46 10.606 1.966 -3.421
328 HA ARG 46 HA ARG 46 11.825 4.371 -2.245
329 HB2 ARG 46 HB2 ARG 46 13.054 2.546 -4.317
330 HB3 ARG 46 HB1 ARG 46 13.840 3.875 -3.483
331 HG2 ARG 46 HG2 ARG 46 14.648 2.242 -2.176
332 HG3 ARG 46 HG1 ARG 46 13.077 2.373 -1.379
333 HD2 ARG 46 HD2 ARG 46 12.202 0.595 -2.773
334 HD3 ARG 46 HD1 ARG 46 13.737 0.478 -3.624
335 HE ARG 46 HE ARG 46 13.818 0.057 -0.747
336 HH11 ARG 46 HH11 ARG 46 13.736 -1.327 -3.956
337 HH12 ARG 46 HH12 ARG 46 14.274 -2.894 -3.440
338 HH21 ARG 46 HH21 ARG 46 14.543 -2.010 -0.053
339 HH22 ARG 46 HH22 ARG 46 14.761 -3.274 -1.222
340 H CYS 47 HN CYS 47 12.547 6.019 -3.778
341 HA CYS 47 HA CYS 47 11.202 6.022 -6.351
342 HB2 CYS 47 HB2 CYS 47 10.104 8.159 -5.981
343 HB3 CYS 47 HB1 CYS 47 9.557 6.997 -4.781
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 12.400 7.769 5.680
2 H2 LYS 1 HT2 LYS 1 13.506 6.504 5.850
3 H3 LYS 1 HT3 LYS 1 12.223 6.658 6.941
4 HA LYS 1 HA LYS 1 11.847 4.890 5.334
5 HB2 LYS 1 HB2 LYS 1 10.068 7.291 5.435
6 HB3 LYS 1 HB1 LYS 1 9.649 5.950 4.381
7 HG2 LYS 1 HG2 LYS 1 9.698 4.445 6.334
8 HG3 LYS 1 HG1 LYS 1 10.014 5.843 7.365
9 HD2 LYS 1 HD2 LYS 1 7.916 6.835 6.768
10 HD3 LYS 1 HD1 LYS 1 7.618 5.594 5.549
11 HE2 LYS 1 HE2 LYS 1 6.299 5.121 7.506
12 HE3 LYS 1 HE1 LYS 1 7.562 3.902 7.352
13 HZ1 LYS 1 HZ1 LYS 1 7.320 4.649 9.629
14 HZ2 LYS 1 HZ2 LYS 1 7.637 6.247 9.171
15 HZ3 LYS 1 HZ3 LYS 1 8.845 5.072 9.030
16 H THR 2 HN THR 2 11.013 4.472 3.162
17 HA THR 2 HA THR 2 12.270 6.127 1.108
18 HB THR 2 HB THR 2 11.979 4.262 -0.415
19 HG1 THR 2 HG1 THR 2 10.217 3.191 0.212
20 HG21 THR 2 HG21 THR 2 13.204 3.390 2.204
21 HG22 THR 2 HG22 THR 2 14.017 4.303 0.932
22 HG23 THR 2 HG23 THR 2 13.498 2.646 0.632
23 H CYS 3 HN CYS 3 10.766 5.788 -1.027
24 HA CYS 3 HA CYS 3 8.747 7.656 -0.749
25 HB2 CYS 3 HB2 CYS 3 8.722 5.463 -2.825
26 HB3 CYS 3 HB1 CYS 3 8.086 7.099 -2.976
27 H GLU 4 HN GLU 4 6.938 7.536 0.390
28 HA GLU 4 HA GLU 4 5.498 4.977 0.519
29 HB2 GLU 4 HB2 GLU 4 6.677 5.199 2.610
30 HB3 GLU 4 HB1 GLU 4 6.155 6.863 2.789
31 HG2 GLU 4 HG2 GLU 4 3.786 5.959 2.875
32 HG3 GLU 4 HG1 GLU 4 4.511 4.357 3.065
33 H ASN 5 HN ASN 5 3.306 5.122 0.383
34 HA ASN 5 HA ASN 5 2.100 7.755 0.768
35 HB2 ASN 5 HB2 ASN 5 2.493 7.100 -1.750
36 HB3 ASN 5 HB1 ASN 5 1.076 6.102 -1.468
37 HD21 ASN 5 HD21 ASN 5 -0.884 7.107 -0.820
38 HD22 ASN 5 HD22 ASN 5 -1.170 8.757 -1.234
39 H LEU 6 HN LEU 6 -0.039 7.704 1.223
40 HA LEU 6 HA LEU 6 -0.982 5.205 2.410
41 HB2 LEU 6 HB2 LEU 6 -0.990 7.666 3.488
42 HB3 LEU 6 HB1 LEU 6 -2.563 7.705 2.704
43 HG LEU 6 HG LEU 6 -1.603 5.801 4.875
44 HD11 LEU 6 HD11 LEU 6 -3.546 6.676 6.070
45 HD12 LEU 6 HD12 LEU 6 -3.922 7.730 4.709
46 HD13 LEU 6 HD13 LEU 6 -2.433 7.967 5.622
47 HD21 LEU 6 HD21 LEU 6 -4.017 5.590 3.104
48 HD22 LEU 6 HD22 LEU 6 -3.892 4.818 4.686
49 HD23 LEU 6 HD23 LEU 6 -2.753 4.385 3.409
50 H SER 7 HN SER 7 -2.234 3.996 1.211
51 HA SER 7 HA SER 7 -3.343 5.099 -1.220
52 HB2 SER 7 HB2 SER 7 -3.293 2.242 -0.238
53 HB3 SER 7 HB1 SER 7 -3.620 2.794 -1.877
54 HG SER 7 HG SER 7 -1.259 3.739 -0.883
55 H GLY 8 HN GLY 8 -5.455 5.245 -1.715
56 HA2 GLY 8 HA2 GLY 8 -7.666 4.081 -1.327
57 HA3 GLY 8 HA1 GLY 8 -7.397 4.473 0.369
58 H THR 9 HN THR 9 -8.804 6.010 0.893
59 HA THR 9 HA THR 9 -9.858 7.918 -0.884
60 HB THR 9 HB THR 9 -10.995 7.299 1.214
61 HG1 THR 9 HG1 THR 9 -11.674 9.244 0.427
62 HG21 THR 9 HG21 THR 9 -10.234 8.273 3.347
63 HG22 THR 9 HG22 THR 9 -8.771 8.851 2.543
64 HG23 THR 9 HG23 THR 9 -9.073 7.118 2.691
65 H PHE 10 HN PHE 10 -6.887 7.811 0.866
66 HA PHE 10 HA PHE 10 -6.459 10.676 0.671
67 HB2 PHE 10 HB2 PHE 10 -4.642 8.496 1.734
68 HB3 PHE 10 HB1 PHE 10 -4.347 10.225 1.836
69 HD1 PHE 10 HD1 PHE 10 -5.962 11.625 3.185
70 HD2 PHE 10 HD2 PHE 10 -5.781 7.388 3.386
71 HE1 PHE 10 HE1 PHE 10 -7.096 11.694 5.372
72 HE2 PHE 10 HE2 PHE 10 -6.919 7.438 5.576
73 HZ PHE 10 HZ PHE 10 -7.576 9.594 6.569
74 H LYS 11 HN LYS 11 -5.285 11.520 -0.991
75 HA LYS 11 HA LYS 11 -3.698 11.650 -2.623
76 HB2 LYS 11 HB2 LYS 11 -2.751 9.303 -1.031
77 HB3 LYS 11 HB1 LYS 11 -1.854 9.895 -2.400
78 HG2 LYS 11 HG2 LYS 11 -0.834 10.861 -0.520
79 HG3 LYS 11 HG1 LYS 11 -1.814 12.151 -1.205
80 HD2 LYS 11 HD2 LYS 11 -3.592 11.526 0.439
81 HD3 LYS 11 HD1 LYS 11 -2.439 10.428 1.211
82 HE2 LYS 11 HE2 LYS 11 -1.893 13.367 0.789
83 HE3 LYS 11 HE1 LYS 11 -2.693 12.747 2.229
84 HZ1 LYS 11 HZ1 LYS 11 -0.750 11.401 2.693
85 HZ2 LYS 11 HZ2 LYS 11 -0.321 13.031 2.574
86 HZ3 LYS 11 HZ3 LYS 11 0.020 11.975 1.301
87 H GLY 12 HN GLY 12 -2.804 8.494 -2.932
88 HA2 GLY 12 HA2 GLY 12 -4.529 8.109 -5.285
89 HA3 GLY 12 HA1 GLY 12 -2.918 7.433 -5.112
90 HA PRO 13 HA PRO 13 -6.338 4.631 -3.257
91 HB2 PRO 13 HB2 PRO 13 -7.670 3.574 -5.291
92 HB3 PRO 13 HB1 PRO 13 -8.065 5.192 -4.701
93 HG2 PRO 13 HG2 PRO 13 -6.384 4.414 -7.062
94 HG3 PRO 13 HG1 PRO 13 -7.682 5.620 -6.973
95 HD2 PRO 13 HD2 PRO 13 -5.032 6.247 -6.790
96 HD3 PRO 13 HD1 PRO 13 -6.317 7.194 -6.012
97 H CYS 14 HN CYS 14 -6.794 2.158 -3.963
98 HA CYS 14 HA CYS 14 -4.620 0.934 -5.385
99 HB2 CYS 14 HB2 CYS 14 -3.520 1.341 -3.252
100 HB3 CYS 14 HB1 CYS 14 -4.830 0.541 -2.392
101 H ILE 15 HN ILE 15 -6.116 -0.850 -2.766
102 HA ILE 15 HA ILE 15 -8.053 -2.032 -4.621
103 HB ILE 15 HB ILE 15 -7.389 -4.312 -3.829
104 HG12 ILE 15 HG12 ILE 15 -5.020 -2.747 -2.779
105 HG13 ILE 15 HG11 ILE 15 -6.131 -3.758 -1.861
106 HG21 ILE 15 HG21 ILE 15 -5.512 -4.527 -5.394
107 HG22 ILE 15 HG22 ILE 15 -5.343 -2.771 -5.421
108 HG23 ILE 15 HG23 ILE 15 -6.807 -3.527 -6.053
109 HD11 ILE 15 HD11 ILE 15 -4.197 -4.733 -3.938
110 HD12 ILE 15 HD12 ILE 15 -5.283 -5.731 -2.975
111 HD13 ILE 15 HD13 ILE 15 -3.984 -4.837 -2.192
112 HA PRO 16 HA PRO 16 -10.457 -1.675 -0.996
113 HB2 PRO 16 HB2 PRO 16 -12.783 -2.612 -1.932
114 HB3 PRO 16 HB1 PRO 16 -12.055 -1.128 -2.556
115 HG2 PRO 16 HG2 PRO 16 -12.170 -3.837 -3.770
116 HG3 PRO 16 HG1 PRO 16 -12.196 -2.252 -4.556
117 HD2 PRO 16 HD2 PRO 16 -9.971 -3.959 -4.277
118 HD3 PRO 16 HD1 PRO 16 -9.943 -2.268 -4.803
119 H ASP 17 HN ASP 17 -9.086 -4.515 -1.562
120 HA ASP 17 HA ASP 17 -10.996 -6.287 -0.322
121 HB2 ASP 17 HB2 ASP 17 -9.496 -7.122 -2.066
122 HB3 ASP 17 HB1 ASP 17 -8.101 -6.738 -1.066
123 H GLY 18 HN GLY 18 -8.433 -4.254 0.791
124 HA2 GLY 18 HA2 GLY 18 -8.133 -3.687 3.065
125 HA3 GLY 18 HA1 GLY 18 -8.949 -5.167 3.527
126 H ASN 19 HN ASN 19 -7.013 -6.162 1.300
127 HA ASN 19 HA ASN 19 -5.091 -7.310 3.065
128 HB2 ASN 19 HB2 ASN 19 -4.424 -8.562 1.071
129 HB3 ASN 19 HB1 ASN 19 -6.164 -8.574 1.281
130 HD21 ASN 19 HD21 ASN 19 -6.287 -5.742 0.265
131 HD22 ASN 19 HD22 ASN 19 -6.187 -5.899 -1.442
132 H CYS 20 HN CYS 20 -4.645 -4.555 3.018
133 HA CYS 20 HA CYS 20 -2.977 -3.602 1.067
134 HB2 CYS 20 HB2 CYS 20 -2.233 -1.921 2.660
135 HB3 CYS 20 HB1 CYS 20 -3.971 -2.108 2.681
136 H ASN 21 HN ASN 21 -2.106 -5.320 4.029
137 HA ASN 21 HA ASN 21 0.667 -4.945 3.647
138 HB2 ASN 21 HB2 ASN 21 -0.911 -6.769 5.415
139 HB3 ASN 21 HB1 ASN 21 0.841 -6.881 5.336
140 HD21 ASN 21 HD21 ASN 21 1.105 -3.999 4.861
141 HD22 ASN 21 HD22 ASN 21 0.797 -3.262 6.394
142 H LYS 22 HN LYS 22 -1.296 -7.892 3.251
143 HA LYS 22 HA LYS 22 0.891 -9.314 2.215
144 HB2 LYS 22 HB2 LYS 22 -0.953 -10.920 1.369
145 HB3 LYS 22 HB1 LYS 22 -0.717 -10.717 3.095
146 HG2 LYS 22 HG2 LYS 22 -2.627 -9.245 3.219
147 HG3 LYS 22 HG1 LYS 22 -2.846 -9.332 1.470
148 HD2 LYS 22 HD2 LYS 22 -3.255 -11.728 1.628
149 HD3 LYS 22 HD1 LYS 22 -2.991 -11.676 3.369
150 HE2 LYS 22 HE2 LYS 22 -4.929 -10.220 3.628
151 HE3 LYS 22 HE1 LYS 22 -5.175 -10.223 1.885
152 HZ1 LYS 22 HZ1 LYS 22 -6.655 -11.774 2.978
153 HZ2 LYS 22 HZ2 LYS 22 -5.344 -12.596 3.655
154 HZ3 LYS 22 HZ3 LYS 22 -5.571 -12.605 1.983
155 H HIS 23 HN HIS 23 -1.376 -7.164 0.630
156 HA HIS 23 HA HIS 23 -0.895 -8.106 -1.989
157 HB2 HIS 23 HB2 HIS 23 -2.681 -6.460 -1.506
158 HB3 HIS 23 HB1 HIS 23 -1.443 -5.241 -1.198
159 HD1 HIS 23 HD1 HIS 23 -0.790 -3.870 -3.188
160 HD2 HIS 23 HD2 HIS 23 -2.446 -7.522 -4.283
161 HE1 HIS 23 HE1 HIS 23 -0.954 -3.815 -5.689
162 HE2 HIS 23 HE2 HIS 23 -1.780 -6.097 -6.335
163 H CYS 24 HN CYS 24 0.608 -5.330 -0.298
164 HA CYS 24 HA CYS 24 2.559 -4.916 -2.291
165 HB2 CYS 24 HB2 CYS 24 2.349 -4.163 0.599
166 HB3 CYS 24 HB1 CYS 24 3.846 -3.883 -0.271
167 H ARG 25 HN ARG 25 2.590 -6.799 0.710
168 HA ARG 25 HA ARG 25 5.442 -7.140 0.560
169 HB2 ARG 25 HB2 ARG 25 3.446 -8.306 2.495
170 HB3 ARG 25 HB1 ARG 25 5.189 -8.281 2.697
171 HG2 ARG 25 HG2 ARG 25 3.442 -5.850 2.488
172 HG3 ARG 25 HG1 ARG 25 4.063 -6.531 3.995
173 HD2 ARG 25 HD2 ARG 25 6.182 -6.155 2.087
174 HD3 ARG 25 HD1 ARG 25 5.317 -4.633 2.336
175 HE ARG 25 HE ARG 25 5.792 -4.866 4.718
176 HH11 ARG 25 HH11 ARG 25 7.670 -6.939 2.601
177 HH12 ARG 25 HH12 ARG 25 8.979 -7.095 3.722
178 HH21 ARG 25 HH21 ARG 25 7.512 -5.098 6.185
179 HH22 ARG 25 HH22 ARG 25 8.886 -6.064 5.755
180 H ASN 26 HN ASN 26 2.640 -9.177 -0.060
181 HA ASN 26 HA ASN 26 4.319 -11.545 -0.254
182 HB2 ASN 26 HB2 ASN 26 1.352 -11.102 -0.481
183 HB3 ASN 26 HB1 ASN 26 2.085 -12.614 -0.984
184 HD21 ASN 26 HD21 ASN 26 3.436 -10.860 1.651
185 HD22 ASN 26 HD22 ASN 26 2.895 -11.914 2.907
186 H ASN 27 HN ASN 27 2.665 -9.286 -2.346
187 HA ASN 27 HA ASN 27 3.159 -10.923 -4.676
188 HB2 ASN 27 HB2 ASN 27 1.955 -8.165 -4.430
189 HB3 ASN 27 HB1 ASN 27 2.086 -9.071 -5.932
190 HD21 ASN 27 HD21 ASN 27 0.473 -8.778 -2.893
191 HD22 ASN 27 HD22 ASN 27 -0.818 -9.877 -3.238
192 H GLU 28 HN GLU 28 4.219 -7.718 -3.499
193 HA GLU 28 HA GLU 28 6.260 -7.778 -5.619
194 HB2 GLU 28 HB2 GLU 28 4.480 -5.986 -5.679
195 HB3 GLU 28 HB1 GLU 28 5.192 -5.328 -4.213
196 HG2 GLU 28 HG2 GLU 28 5.935 -4.151 -6.217
197 HG3 GLU 28 HG1 GLU 28 7.273 -4.921 -5.367
198 H HIS 29 HN HIS 29 5.755 -7.539 -2.197
199 HA HIS 29 HA HIS 29 7.174 -7.766 -0.463
200 HB2 HIS 29 HB2 HIS 29 8.444 -9.316 -2.033
201 HB3 HIS 29 HB1 HIS 29 9.462 -7.943 -2.442
202 HD1 HIS 29 HD1 HIS 29 10.734 -6.852 -0.247
203 HD2 HIS 29 HD2 HIS 29 9.338 -10.754 0.072
204 HE1 HIS 29 HE1 HIS 29 11.964 -7.853 1.702
205 HE2 HIS 29 HE2 HIS 29 11.228 -10.261 1.765
206 H LEU 30 HN LEU 30 6.328 -5.312 -0.871
207 HA LEU 30 HA LEU 30 8.547 -3.497 -1.194
208 HB2 LEU 30 HB2 LEU 30 5.803 -2.786 -0.196
209 HB3 LEU 30 HB1 LEU 30 7.020 -1.701 -0.823
210 HG LEU 30 HG LEU 30 5.285 -3.635 -2.335
211 HD11 LEU 30 HD11 LEU 30 4.711 -1.666 -3.620
212 HD12 LEU 30 HD12 LEU 30 5.869 -0.704 -2.701
213 HD13 LEU 30 HD13 LEU 30 4.441 -1.358 -1.899
214 HD21 LEU 30 HD21 LEU 30 7.747 -2.236 -3.370
215 HD22 LEU 30 HD22 LEU 30 6.580 -3.131 -4.341
216 HD23 LEU 30 HD23 LEU 30 7.559 -3.976 -3.143
217 H LEU 31 HN LEU 31 8.071 -1.561 0.773
218 HA LEU 31 HA LEU 31 9.569 -2.982 2.833
219 HB2 LEU 31 HB2 LEU 31 9.145 -0.016 2.640
220 HB3 LEU 31 HB1 LEU 31 10.425 -0.873 3.481
221 HG LEU 31 HG LEU 31 10.045 -0.612 0.512
222 HD11 LEU 31 HD11 LEU 31 11.073 1.314 1.562
223 HD12 LEU 31 HD12 LEU 31 12.274 0.429 0.622
224 HD13 LEU 31 HD13 LEU 31 12.241 0.275 2.377
225 HD21 LEU 31 HD21 LEU 31 12.111 -1.948 0.301
226 HD22 LEU 31 HD22 LEU 31 10.741 -2.863 0.934
227 HD23 LEU 31 HD23 LEU 31 12.015 -2.313 2.025
228 H SER 32 HN SER 32 6.865 -0.623 2.805
229 HA SER 32 HA SER 32 6.247 -1.479 5.556
230 HB2 SER 32 HB2 SER 32 5.421 0.830 3.848
231 HB3 SER 32 HB1 SER 32 4.444 0.366 5.222
232 HG SER 32 HG SER 32 6.364 1.977 5.360
233 H GLY 33 HN GLY 33 4.976 -1.411 2.379
234 HA2 GLY 33 HA2 GLY 33 3.558 -2.788 1.279
235 HA3 GLY 33 HA1 GLY 33 3.750 -3.926 2.591
236 H ARG 34 HN ARG 34 2.291 -0.686 2.831
237 HA ARG 34 HA ARG 34 -0.195 -2.045 3.562
238 HB2 ARG 34 HB2 ARG 34 1.308 0.257 4.403
239 HB3 ARG 34 HB1 ARG 34 -0.343 0.747 4.077
240 HG2 ARG 34 HG2 ARG 34 -1.086 -1.034 5.655
241 HG3 ARG 34 HG1 ARG 34 0.612 -1.394 5.981
242 HD2 ARG 34 HD2 ARG 34 0.961 0.869 6.806
243 HD3 ARG 34 HD1 ARG 34 -0.715 1.303 6.430
244 HE ARG 34 HE ARG 34 -0.489 -0.964 8.187
245 HH11 ARG 34 HH11 ARG 34 -0.482 2.538 8.089
246 HH12 ARG 34 HH12 ARG 34 -0.987 2.709 9.736
247 HH21 ARG 34 HH21 ARG 34 -1.136 -0.740 10.356
248 HH22 ARG 34 HH22 ARG 34 -1.344 0.844 11.031
249 H CYS 35 HN CYS 35 -0.475 -2.407 1.019
250 HA CYS 35 HA CYS 35 -1.628 0.009 -0.181
251 HB2 CYS 35 HB2 CYS 35 0.072 -1.520 -1.401
252 HB3 CYS 35 HB1 CYS 35 -1.325 -2.548 -1.697
253 H ARG 36 HN ARG 36 -3.763 0.349 0.310
254 HA ARG 36 HA ARG 36 -5.547 -1.474 -1.001
255 HB2 ARG 36 HB2 ARG 36 -7.183 -1.637 0.861
256 HB3 ARG 36 HB1 ARG 36 -5.723 -2.554 1.105
257 HG2 ARG 36 HG2 ARG 36 -4.939 -0.595 2.532
258 HG3 ARG 36 HG1 ARG 36 -6.614 -0.058 2.475
259 HD2 ARG 36 HD2 ARG 36 -7.337 -2.222 3.334
260 HD3 ARG 36 HD1 ARG 36 -5.674 -2.770 3.440
261 HE ARG 36 HE ARG 36 -6.033 -0.372 4.914
262 HH11 ARG 36 HH11 ARG 36 -6.691 -3.820 5.094
263 HH12 ARG 36 HH12 ARG 36 -6.878 -3.808 6.817
264 HH21 ARG 36 HH21 ARG 36 -6.284 -0.386 7.185
265 HH22 ARG 36 HH22 ARG 36 -6.645 -1.879 7.996
266 H ASP 37 HN ASP 37 -7.955 -0.569 -0.598
267 HA ASP 37 HA ASP 37 -7.721 2.262 -1.393
268 HB2 ASP 37 HB2 ASP 37 -8.051 0.939 -3.377
269 HB3 ASP 37 HB1 ASP 37 -9.378 0.059 -2.629
270 H ASP 38 HN ASP 38 -10.387 -0.021 -0.843
271 HA ASP 38 HA ASP 38 -12.208 1.761 0.235
272 HB2 ASP 38 HB2 ASP 38 -12.809 -0.516 -0.461
273 HB3 ASP 38 HB1 ASP 38 -11.879 -1.183 0.877
274 H PHE 39 HN PHE 39 -9.606 -0.002 1.734
275 HA PHE 39 HA PHE 39 -10.037 1.518 4.217
276 HB2 PHE 39 HB2 PHE 39 -8.266 -0.890 3.946
277 HB3 PHE 39 HB1 PHE 39 -8.943 -0.203 5.403
278 HD1 PHE 39 HD1 PHE 39 -9.556 -2.385 2.523
279 HD2 PHE 39 HD2 PHE 39 -11.221 -0.670 6.062
280 HE1 PHE 39 HE1 PHE 39 -11.412 -3.997 2.443
281 HE2 PHE 39 HE2 PHE 39 -13.069 -2.287 5.978
282 HZ PHE 39 HZ PHE 39 -13.164 -3.952 4.168
283 H ARG 40 HN ARG 40 -7.744 2.055 5.252
284 HA ARG 40 HA ARG 40 -6.179 3.095 2.984
285 HB2 ARG 40 HB2 ARG 40 -6.719 4.468 5.624
286 HB3 ARG 40 HB1 ARG 40 -5.726 5.106 4.327
287 HG2 ARG 40 HG2 ARG 40 -7.712 6.235 4.050
288 HG3 ARG 40 HG1 ARG 40 -7.859 4.913 2.894
289 HD2 ARG 40 HD2 ARG 40 -9.931 5.236 4.140
290 HD3 ARG 40 HD1 ARG 40 -9.220 3.661 4.486
291 HE ARG 40 HE ARG 40 -8.327 4.783 6.571
292 HH11 ARG 40 HH11 ARG 40 -11.297 5.789 5.011
293 HH12 ARG 40 HH12 ARG 40 -11.992 6.427 6.464
294 HH21 ARG 40 HH21 ARG 40 -9.263 5.605 8.501
295 HH22 ARG 40 HH22 ARG 40 -10.847 6.314 8.443
296 H CYS 41 HN CYS 41 -4.186 2.434 2.915
297 HA CYS 41 HA CYS 41 -2.729 1.874 5.395
298 HB2 CYS 41 HB2 CYS 41 -3.375 0.065 3.151
299 HB3 CYS 41 HB1 CYS 41 -1.762 -0.079 3.789
300 H TRP 42 HN TRP 42 -0.461 2.432 5.353
301 HA TRP 42 HA TRP 42 0.514 4.042 3.112
302 HB2 TRP 42 HB2 TRP 42 1.764 3.354 5.782
303 HB3 TRP 42 HB1 TRP 42 2.508 4.396 4.586
304 HD1 TRP 42 HD1 TRP 42 -0.097 4.379 7.337
305 HE1 TRP 42 HE1 TRP 42 -0.860 6.800 7.777
306 HE3 TRP 42 HE3 TRP 42 2.145 6.678 3.363
307 HZ2 TRP 42 HZ2 TRP 42 -0.552 9.342 6.588
308 HZ3 TRP 42 HZ3 TRP 42 1.865 9.091 3.082
309 HH2 TRP 42 HH2 TRP 42 0.535 10.403 4.652
310 H CYS 43 HN CYS 43 1.369 2.739 1.364
311 HA CYS 43 HA CYS 43 3.188 0.597 2.239
312 HB2 CYS 43 HB2 CYS 43 1.421 0.027 0.517
313 HB3 CYS 43 HB1 CYS 43 2.330 1.019 -0.628
314 H THR 44 HN THR 44 5.243 0.849 2.227
315 HA THR 44 HA THR 44 6.432 3.211 0.970
316 HB THR 44 HB THR 44 7.673 1.415 3.058
317 HG1 THR 44 HG1 THR 44 6.402 3.883 3.636
318 HG21 THR 44 HG21 THR 44 8.274 4.210 2.097
319 HG22 THR 44 HG22 THR 44 9.306 2.787 1.995
320 HG23 THR 44 HG23 THR 44 8.960 3.513 3.564
321 H ASN 45 HN ASN 45 7.997 3.031 -0.539
322 HA ASN 45 HA ASN 45 9.526 0.612 -0.905
323 HB2 ASN 45 HB2 ASN 45 7.518 0.055 -2.166
324 HB3 ASN 45 HB1 ASN 45 7.616 1.571 -3.052
325 HD21 ASN 45 HD21 ASN 45 9.152 -1.526 -2.501
326 HD22 ASN 45 HD22 ASN 45 9.987 -1.587 -4.015
327 H ARG 46 HN ARG 46 11.142 0.939 -2.708
328 HA ARG 46 HA ARG 46 12.258 3.611 -2.459
329 HB2 ARG 46 HB2 ARG 46 13.418 1.287 -3.991
330 HB3 ARG 46 HB1 ARG 46 14.269 2.659 -3.296
331 HG2 ARG 46 HG2 ARG 46 14.466 1.674 -1.299
332 HG3 ARG 46 HG1 ARG 46 12.810 1.065 -1.332
333 HD2 ARG 46 HD2 ARG 46 13.484 -0.729 -2.830
334 HD3 ARG 46 HD1 ARG 46 15.139 -0.120 -2.836
335 HE ARG 46 HE ARG 46 14.700 -0.557 -0.219
336 HH11 ARG 46 HH11 ARG 46 14.124 -2.538 -3.042
337 HH12 ARG 46 HH12 ARG 46 14.419 -4.031 -2.212
338 HH21 ARG 46 HH21 ARG 46 15.092 -2.519 0.879
339 HH22 ARG 46 HH22 ARG 46 14.987 -4.022 0.018
340 H CYS 47 HN CYS 47 11.830 5.149 -3.973
341 HA CYS 47 HA CYS 47 11.258 4.206 -6.699
342 HB2 CYS 47 HB2 CYS 47 9.661 5.938 -7.024
343 HB3 CYS 47 HB1 CYS 47 9.269 5.179 -5.489
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 11.881 6.313 8.075
2 H2 LYS 1 HT2 LYS 1 12.068 7.500 6.885
3 H3 LYS 1 HT3 LYS 1 13.235 6.291 7.066
4 HA LYS 1 HA LYS 1 11.653 4.608 6.406
5 HB2 LYS 1 HB2 LYS 1 9.841 7.000 6.077
6 HB3 LYS 1 HB1 LYS 1 9.540 5.460 5.292
7 HG2 LYS 1 HG2 LYS 1 9.390 4.390 7.500
8 HG3 LYS 1 HG1 LYS 1 9.615 5.970 8.256
9 HD2 LYS 1 HD2 LYS 1 7.587 6.797 7.314
10 HD3 LYS 1 HD1 LYS 1 7.413 5.379 6.280
11 HE2 LYS 1 HE2 LYS 1 7.119 3.985 8.278
12 HE3 LYS 1 HE1 LYS 1 7.264 5.419 9.294
13 HZ1 LYS 1 HZ1 LYS 1 5.285 6.313 8.266
14 HZ2 LYS 1 HZ2 LYS 1 4.954 4.788 8.915
15 HZ3 LYS 1 HZ3 LYS 1 5.163 4.969 7.240
16 H THR 2 HN THR 2 10.874 4.317 4.170
17 HA THR 2 HA THR 2 12.463 5.848 2.258
18 HB THR 2 HB THR 2 11.550 3.860 0.797
19 HG1 THR 2 HG1 THR 2 11.884 2.503 3.237
20 HG21 THR 2 HG21 THR 2 13.891 4.321 1.120
21 HG22 THR 2 HG22 THR 2 13.606 2.605 1.408
22 HG23 THR 2 HG23 THR 2 13.814 3.705 2.775
23 H CYS 3 HN CYS 3 11.158 5.782 0.011
24 HA CYS 3 HA CYS 3 9.202 7.751 0.306
25 HB2 CYS 3 HB2 CYS 3 9.436 5.881 -2.056
26 HB3 CYS 3 HB1 CYS 3 8.832 7.536 -2.050
27 H GLU 4 HN GLU 4 7.280 7.544 1.179
28 HA GLU 4 HA GLU 4 5.816 5.020 0.849
29 HB2 GLU 4 HB2 GLU 4 6.785 5.017 3.075
30 HB3 GLU 4 HB1 GLU 4 6.182 6.636 3.379
31 HG2 GLU 4 HG2 GLU 4 3.851 5.618 3.004
32 HG3 GLU 4 HG1 GLU 4 4.658 4.060 3.233
33 H ASN 5 HN ASN 5 3.662 5.212 0.522
34 HA ASN 5 HA ASN 5 2.379 7.729 1.175
35 HB2 ASN 5 HB2 ASN 5 1.394 8.093 -0.950
36 HB3 ASN 5 HB1 ASN 5 3.109 7.871 -1.217
37 HD21 ASN 5 HD21 ASN 5 -0.045 6.523 -1.608
38 HD22 ASN 5 HD22 ASN 5 0.387 5.311 -2.766
39 H LEU 6 HN LEU 6 0.269 7.569 1.561
40 HA LEU 6 HA LEU 6 -0.781 5.011 2.231
41 HB2 LEU 6 HB2 LEU 6 -1.321 7.528 3.051
42 HB3 LEU 6 HB1 LEU 6 -2.639 7.279 1.922
43 HG LEU 6 HG LEU 6 -2.021 5.578 4.358
44 HD11 LEU 6 HD11 LEU 6 -4.069 6.476 5.226
45 HD12 LEU 6 HD12 LEU 6 -4.385 7.346 3.727
46 HD13 LEU 6 HD13 LEU 6 -3.031 7.819 4.752
47 HD21 LEU 6 HD21 LEU 6 -3.887 5.211 2.056
48 HD22 LEU 6 HD22 LEU 6 -4.366 4.682 3.667
49 HD23 LEU 6 HD23 LEU 6 -2.899 4.022 2.931
50 H SER 7 HN SER 7 -1.542 3.616 0.807
51 HA SER 7 HA SER 7 -2.146 4.613 -1.873
52 HB2 SER 7 HB2 SER 7 -1.619 1.773 -0.979
53 HB3 SER 7 HB1 SER 7 -1.605 2.399 -2.623
54 HG SER 7 HG SER 7 0.079 3.720 -0.898
55 H GLY 8 HN GLY 8 -4.275 5.245 -1.651
56 HA2 GLY 8 HA2 GLY 8 -6.287 3.325 -1.932
57 HA3 GLY 8 HA1 GLY 8 -6.255 3.820 -0.244
58 H THR 9 HN THR 9 -7.539 5.468 0.259
59 HA THR 9 HA THR 9 -9.062 6.783 -1.689
60 HB THR 9 HB THR 9 -9.956 6.552 0.527
61 HG1 THR 9 HG1 THR 9 -10.998 8.340 0.210
62 HG21 THR 9 HG21 THR 9 -9.105 7.791 2.454
63 HG22 THR 9 HG22 THR 9 -7.771 8.406 1.478
64 HG23 THR 9 HG23 THR 9 -7.885 6.681 1.827
65 H PHE 10 HN PHE 10 -6.427 8.099 0.338
66 HA PHE 10 HA PHE 10 -6.131 10.306 -1.543
67 HB2 PHE 10 HB2 PHE 10 -6.075 10.502 1.063
68 HB3 PHE 10 HB1 PHE 10 -4.426 9.909 0.898
69 HD1 PHE 10 HD1 PHE 10 -6.650 12.473 -0.646
70 HD2 PHE 10 HD2 PHE 10 -2.766 11.486 0.777
71 HE1 PHE 10 HE1 PHE 10 -5.896 14.762 -1.137
72 HE2 PHE 10 HE2 PHE 10 -2.003 13.776 0.289
73 HZ PHE 10 HZ PHE 10 -3.568 15.415 -0.670
74 H LYS 11 HN LYS 11 -4.167 10.657 -2.680
75 HA LYS 11 HA LYS 11 -2.087 10.269 -3.527
76 HB2 LYS 11 HB2 LYS 11 -1.936 8.259 -1.283
77 HB3 LYS 11 HB1 LYS 11 -0.600 8.602 -2.368
78 HG2 LYS 11 HG2 LYS 11 -0.137 10.593 -1.393
79 HG3 LYS 11 HG1 LYS 11 -1.825 10.911 -0.982
80 HD2 LYS 11 HD2 LYS 11 -1.733 9.629 0.940
81 HD3 LYS 11 HD1 LYS 11 -0.361 8.686 0.368
82 HE2 LYS 11 HE2 LYS 11 0.368 10.150 2.134
83 HE3 LYS 11 HE1 LYS 11 1.064 10.700 0.615
84 HZ1 LYS 11 HZ1 LYS 11 -1.332 11.869 1.920
85 HZ2 LYS 11 HZ2 LYS 11 -0.604 12.420 0.494
86 HZ3 LYS 11 HZ3 LYS 11 0.223 12.529 1.962
87 H GLY 12 HN GLY 12 -4.539 8.721 -4.311
88 HA2 GLY 12 HA2 GLY 12 -4.771 7.422 -6.255
89 HA3 GLY 12 HA1 GLY 12 -3.135 6.833 -6.049
90 HA PRO 13 HA PRO 13 -6.535 4.226 -3.882
91 HB2 PRO 13 HB2 PRO 13 -7.691 2.996 -6.202
92 HB3 PRO 13 HB1 PRO 13 -8.442 4.114 -5.063
93 HG2 PRO 13 HG2 PRO 13 -7.914 4.730 -7.685
94 HG3 PRO 13 HG1 PRO 13 -8.036 5.933 -6.389
95 HD2 PRO 13 HD2 PRO 13 -5.583 4.703 -7.593
96 HD3 PRO 13 HD1 PRO 13 -5.909 6.398 -7.173
97 H CYS 14 HN CYS 14 -7.172 1.742 -4.260
98 HA CYS 14 HA CYS 14 -5.030 0.199 -5.397
99 HB2 CYS 14 HB2 CYS 14 -4.040 0.894 -3.247
100 HB3 CYS 14 HB1 CYS 14 -5.418 0.201 -2.395
101 H ILE 15 HN ILE 15 -6.849 -0.888 -2.586
102 HA ILE 15 HA ILE 15 -8.727 -2.389 -4.223
103 HB ILE 15 HB ILE 15 -8.080 -4.550 -3.171
104 HG12 ILE 15 HG12 ILE 15 -5.709 -2.915 -2.243
105 HG13 ILE 15 HG11 ILE 15 -6.866 -3.794 -1.247
106 HG21 ILE 15 HG21 ILE 15 -7.411 -4.043 -5.454
107 HG22 ILE 15 HG22 ILE 15 -6.176 -4.999 -4.636
108 HG23 ILE 15 HG23 ILE 15 -5.942 -3.266 -4.865
109 HD11 ILE 15 HD11 ILE 15 -4.860 -5.015 -3.121
110 HD12 ILE 15 HD12 ILE 15 -6.031 -5.901 -2.144
111 HD13 ILE 15 HD13 ILE 15 -4.760 -4.964 -1.361
112 HA PRO 16 HA PRO 16 -10.937 -1.735 -0.428
113 HB2 PRO 16 HB2 PRO 16 -13.332 -2.632 -1.229
114 HB3 PRO 16 HB1 PRO 16 -12.616 -1.165 -1.900
115 HG2 PRO 16 HG2 PRO 16 -12.933 -3.837 -3.125
116 HG3 PRO 16 HG1 PRO 16 -12.816 -2.251 -3.900
117 HD2 PRO 16 HD2 PRO 16 -10.748 -4.198 -3.558
118 HD3 PRO 16 HD1 PRO 16 -10.610 -2.586 -4.282
119 H ASP 17 HN ASP 17 -9.459 -4.385 -0.735
120 HA ASP 17 HA ASP 17 -11.353 -6.235 0.495
121 HB2 ASP 17 HB2 ASP 17 -8.660 -6.566 -0.767
122 HB3 ASP 17 HB1 ASP 17 -9.287 -7.811 0.306
123 H GLY 18 HN GLY 18 -8.715 -4.205 1.412
124 HA2 GLY 18 HA2 GLY 18 -8.293 -3.577 3.630
125 HA3 GLY 18 HA1 GLY 18 -9.170 -4.985 4.185
126 H ASN 19 HN ASN 19 -7.203 -6.124 1.944
127 HA ASN 19 HA ASN 19 -5.302 -7.157 3.859
128 HB2 ASN 19 HB2 ASN 19 -4.657 -8.512 1.744
129 HB3 ASN 19 HB1 ASN 19 -6.176 -8.848 2.563
130 HD21 ASN 19 HD21 ASN 19 -5.795 -5.987 0.634
131 HD22 ASN 19 HD22 ASN 19 -6.850 -6.474 -0.640
132 H CYS 20 HN CYS 20 -4.650 -4.657 3.713
133 HA CYS 20 HA CYS 20 -3.347 -3.733 1.453
134 HB2 CYS 20 HB2 CYS 20 -2.404 -1.997 2.922
135 HB3 CYS 20 HB1 CYS 20 -4.137 -2.163 3.076
136 H ASN 21 HN ASN 21 -1.990 -5.078 4.435
137 HA ASN 21 HA ASN 21 0.670 -4.596 3.750
138 HB2 ASN 21 HB2 ASN 21 -0.630 -5.616 5.960
139 HB3 ASN 21 HB1 ASN 21 0.288 -6.987 5.357
140 HD21 ASN 21 HD21 ASN 21 1.303 -3.717 4.898
141 HD22 ASN 21 HD22 ASN 21 2.658 -3.797 5.957
142 H LYS 22 HN LYS 22 -1.172 -7.641 3.525
143 HA LYS 22 HA LYS 22 1.023 -9.013 2.419
144 HB2 LYS 22 HB2 LYS 22 -0.423 -10.862 2.081
145 HB3 LYS 22 HB1 LYS 22 -0.900 -10.099 3.585
146 HG2 LYS 22 HG2 LYS 22 -2.777 -8.998 2.387
147 HG3 LYS 22 HG1 LYS 22 -2.311 -9.894 0.936
148 HD2 LYS 22 HD2 LYS 22 -2.611 -12.007 2.144
149 HD3 LYS 22 HD1 LYS 22 -3.096 -11.106 3.579
150 HE2 LYS 22 HE2 LYS 22 -5.032 -10.254 2.455
151 HE3 LYS 22 HE1 LYS 22 -4.526 -10.995 0.934
152 HZ1 LYS 22 HZ1 LYS 22 -5.306 -12.434 3.414
153 HZ2 LYS 22 HZ2 LYS 22 -4.756 -13.172 1.997
154 HZ3 LYS 22 HZ3 LYS 22 -6.217 -12.323 1.993
155 H HIS 23 HN HIS 23 -1.329 -6.919 0.955
156 HA HIS 23 HA HIS 23 -1.146 -8.011 -1.653
157 HB2 HIS 23 HB2 HIS 23 -2.898 -6.352 -0.911
158 HB3 HIS 23 HB1 HIS 23 -1.662 -5.103 -1.039
159 HD1 HIS 23 HD1 HIS 23 -1.385 -4.056 -3.313
160 HD2 HIS 23 HD2 HIS 23 -3.388 -7.698 -3.475
161 HE1 HIS 23 HE1 HIS 23 -2.168 -4.297 -5.686
162 HE2 HIS 23 HE2 HIS 23 -3.378 -6.499 -5.765
163 H CYS 24 HN CYS 24 0.370 -4.993 -0.409
164 HA CYS 24 HA CYS 24 2.068 -4.713 -2.663
165 HB2 CYS 24 HB2 CYS 24 2.065 -3.513 0.086
166 HB3 CYS 24 HB1 CYS 24 3.480 -3.326 -0.934
167 H ARG 25 HN ARG 25 2.361 -6.647 0.206
168 HA ARG 25 HA ARG 25 5.239 -6.872 -0.072
169 HB2 ARG 25 HB2 ARG 25 3.402 -8.251 1.875
170 HB3 ARG 25 HB1 ARG 25 5.153 -8.190 1.955
171 HG2 ARG 25 HG2 ARG 25 3.337 -5.815 2.108
172 HG3 ARG 25 HG1 ARG 25 4.097 -6.611 3.491
173 HD2 ARG 25 HD2 ARG 25 5.771 -5.681 1.220
174 HD3 ARG 25 HD1 ARG 25 5.209 -4.502 2.394
175 HE ARG 25 HE ARG 25 7.306 -6.382 2.724
176 HH11 ARG 25 HH11 ARG 25 4.711 -4.842 4.516
177 HH12 ARG 25 HH12 ARG 25 5.514 -4.995 6.041
178 HH21 ARG 25 HH21 ARG 25 8.347 -6.575 4.722
179 HH22 ARG 25 HH22 ARG 25 7.573 -5.996 6.163
180 H ASN 26 HN ASN 26 2.411 -8.746 -0.874
181 HA ASN 26 HA ASN 26 3.984 -11.173 -1.205
182 HB2 ASN 26 HB2 ASN 26 1.075 -10.527 -1.581
183 HB3 ASN 26 HB1 ASN 26 1.749 -12.010 -2.229
184 HD21 ASN 26 HD21 ASN 26 2.973 -10.647 0.704
185 HD22 ASN 26 HD22 ASN 26 2.308 -11.829 1.772
186 H ASN 27 HN ASN 27 2.304 -8.864 -3.303
187 HA ASN 27 HA ASN 27 3.108 -10.378 -5.636
188 HB2 ASN 27 HB2 ASN 27 1.528 -9.213 -6.822
189 HB3 ASN 27 HB1 ASN 27 0.855 -9.073 -5.206
190 HD21 ASN 27 HD21 ASN 27 1.217 -7.073 -4.041
191 HD22 ASN 27 HD22 ASN 27 1.404 -5.600 -4.951
192 H GLU 28 HN GLU 28 3.929 -7.293 -4.120
193 HA GLU 28 HA GLU 28 5.940 -6.894 -6.232
194 HB2 GLU 28 HB2 GLU 28 4.055 -5.189 -5.932
195 HB3 GLU 28 HB1 GLU 28 4.844 -4.740 -4.430
196 HG2 GLU 28 HG2 GLU 28 6.705 -3.886 -5.518
197 HG3 GLU 28 HG1 GLU 28 6.346 -4.750 -7.012
198 H HIS 29 HN HIS 29 5.421 -7.366 -2.887
199 HA HIS 29 HA HIS 29 6.768 -7.634 -1.108
200 HB2 HIS 29 HB2 HIS 29 7.909 -9.164 -2.782
201 HB3 HIS 29 HB1 HIS 29 9.067 -7.866 -3.049
202 HD1 HIS 29 HD1 HIS 29 7.782 -10.049 -0.231
203 HD2 HIS 29 HD2 HIS 29 11.137 -7.829 -1.272
204 HE1 HIS 29 HE1 HIS 29 9.467 -10.484 1.576
205 HE2 HIS 29 HE2 HIS 29 11.558 -9.305 0.809
206 H LEU 30 HN LEU 30 6.165 -5.193 -1.104
207 HA LEU 30 HA LEU 30 8.413 -3.426 -1.475
208 HB2 LEU 30 HB2 LEU 30 5.752 -2.841 -0.193
209 HB3 LEU 30 HB1 LEU 30 6.956 -1.665 -0.681
210 HG LEU 30 HG LEU 30 5.255 -3.395 -2.464
211 HD11 LEU 30 HD11 LEU 30 4.135 -1.441 -1.653
212 HD12 LEU 30 HD12 LEU 30 4.562 -1.188 -3.345
213 HD13 LEU 30 HD13 LEU 30 5.514 -0.425 -2.070
214 HD21 LEU 30 HD21 LEU 30 7.467 -3.363 -3.415
215 HD22 LEU 30 HD22 LEU 30 7.572 -1.615 -3.197
216 HD23 LEU 30 HD23 LEU 30 6.413 -2.295 -4.343
217 H LEU 31 HN LEU 31 8.149 -1.664 0.641
218 HA LEU 31 HA LEU 31 9.686 -3.173 2.589
219 HB2 LEU 31 HB2 LEU 31 9.265 -0.195 2.556
220 HB3 LEU 31 HB1 LEU 31 10.593 -1.101 3.265
221 HG LEU 31 HG LEU 31 10.017 -0.745 0.334
222 HD11 LEU 31 HD11 LEU 31 12.346 0.153 2.024
223 HD12 LEU 31 HD12 LEU 31 11.067 1.188 1.390
224 HD13 LEU 31 HD13 LEU 31 12.180 0.384 0.283
225 HD21 LEU 31 HD21 LEU 31 12.132 -2.411 1.678
226 HD22 LEU 31 HD22 LEU 31 12.097 -2.015 -0.040
227 HD23 LEU 31 HD23 LEU 31 10.800 -2.980 0.669
228 H SER 32 HN SER 32 6.957 -0.833 2.699
229 HA SER 32 HA SER 32 6.201 -2.145 5.244
230 HB2 SER 32 HB2 SER 32 5.758 0.580 4.133
231 HB3 SER 32 HB1 SER 32 4.508 -0.099 5.164
232 HG SER 32 HG SER 32 6.734 1.060 5.915
233 H GLY 33 HN GLY 33 4.976 -1.204 2.109
234 HA2 GLY 33 HA2 GLY 33 3.528 -2.276 0.727
235 HA3 GLY 33 HA1 GLY 33 3.797 -3.695 1.706
236 H ARG 34 HN ARG 34 2.227 -0.694 2.759
237 HA ARG 34 HA ARG 34 -0.103 -2.212 3.585
238 HB2 ARG 34 HB2 ARG 34 1.327 0.143 4.286
239 HB3 ARG 34 HB1 ARG 34 -0.330 0.628 3.981
240 HG2 ARG 34 HG2 ARG 34 -1.013 -1.135 5.647
241 HG3 ARG 34 HG1 ARG 34 0.707 -1.367 5.990
242 HD2 ARG 34 HD2 ARG 34 0.939 0.918 6.698
243 HD3 ARG 34 HD1 ARG 34 -0.713 1.311 6.181
244 HE ARG 34 HE ARG 34 -0.910 -0.735 8.054
245 HH11 ARG 34 HH11 ARG 34 0.353 2.533 7.992
246 HH12 ARG 34 HH12 ARG 34 -0.078 2.870 9.633
247 HH21 ARG 34 HH21 ARG 34 -1.460 -0.306 10.222
248 HH22 ARG 34 HH22 ARG 34 -1.111 1.250 10.908
249 H CYS 35 HN CYS 35 -0.911 -2.687 1.244
250 HA CYS 35 HA CYS 35 -2.000 -0.296 -0.053
251 HB2 CYS 35 HB2 CYS 35 -0.557 -2.122 -1.229
252 HB3 CYS 35 HB1 CYS 35 -2.101 -2.954 -1.376
253 H ARG 36 HN ARG 36 -4.074 0.295 0.547
254 HA ARG 36 HA ARG 36 -6.115 -1.410 -0.472
255 HB2 ARG 36 HB2 ARG 36 -7.565 -1.475 1.546
256 HB3 ARG 36 HB1 ARG 36 -6.168 -2.506 1.628
257 HG2 ARG 36 HG2 ARG 36 -5.084 -0.612 2.953
258 HG3 ARG 36 HG1 ARG 36 -6.718 0.019 3.105
259 HD2 ARG 36 HD2 ARG 36 -7.437 -2.150 4.027
260 HD3 ARG 36 HD1 ARG 36 -5.782 -2.728 3.964
261 HE ARG 36 HE ARG 36 -5.901 -0.323 5.436
262 HH11 ARG 36 HH11 ARG 36 -6.740 -3.719 5.729
263 HH12 ARG 36 HH12 ARG 36 -6.774 -3.679 7.460
264 HH21 ARG 36 HH21 ARG 36 -5.954 -0.289 7.714
265 HH22 ARG 36 HH22 ARG 36 -6.329 -1.742 8.583
266 H ASP 37 HN ASP 37 -8.263 -0.487 -0.419
267 HA ASP 37 HA ASP 37 -8.258 2.437 -0.383
268 HB2 ASP 37 HB2 ASP 37 -7.523 1.931 -2.606
269 HB3 ASP 37 HB1 ASP 37 -8.800 0.745 -2.813
270 H ASP 38 HN ASP 38 -9.627 2.385 1.146
271 HA ASP 38 HA ASP 38 -12.220 2.679 1.235
272 HB2 ASP 38 HB2 ASP 38 -12.645 0.485 0.110
273 HB3 ASP 38 HB1 ASP 38 -11.796 -0.326 1.422
274 H PHE 39 HN PHE 39 -9.742 0.583 2.371
275 HA PHE 39 HA PHE 39 -9.925 1.702 5.083
276 HB2 PHE 39 HB2 PHE 39 -8.263 -0.619 4.149
277 HB3 PHE 39 HB1 PHE 39 -8.704 -0.222 5.786
278 HD1 PHE 39 HD1 PHE 39 -11.047 -0.586 6.547
279 HD2 PHE 39 HD2 PHE 39 -9.618 -2.013 2.784
280 HE1 PHE 39 HE1 PHE 39 -12.948 -2.134 6.414
281 HE2 PHE 39 HE2 PHE 39 -11.534 -3.553 2.654
282 HZ PHE 39 HZ PHE 39 -13.196 -3.618 4.469
283 H ARG 40 HN ARG 40 -7.524 2.123 5.937
284 HA ARG 40 HA ARG 40 -6.112 3.313 3.640
285 HB2 ARG 40 HB2 ARG 40 -6.371 4.424 6.439
286 HB3 ARG 40 HB1 ARG 40 -5.393 5.133 5.167
287 HG2 ARG 40 HG2 ARG 40 -7.414 5.475 3.819
288 HG3 ARG 40 HG1 ARG 40 -8.378 4.800 5.131
289 HD2 ARG 40 HD2 ARG 40 -7.535 6.605 6.610
290 HD3 ARG 40 HD1 ARG 40 -6.705 7.305 5.221
291 HE ARG 40 HE ARG 40 -9.502 6.911 4.755
292 HH11 ARG 40 HH11 ARG 40 -7.163 9.066 6.213
293 HH12 ARG 40 HH12 ARG 40 -8.173 10.471 6.076
294 HH21 ARG 40 HH21 ARG 40 -10.850 8.757 4.585
295 HH22 ARG 40 HH22 ARG 40 -10.278 10.292 5.152
296 H CYS 41 HN CYS 41 -4.267 2.414 3.266
297 HA CYS 41 HA CYS 41 -2.481 1.827 5.494
298 HB2 CYS 41 HB2 CYS 41 -3.469 -0.011 3.395
299 HB3 CYS 41 HB1 CYS 41 -1.808 -0.202 3.896
300 H TRP 42 HN TRP 42 -0.264 2.309 5.116
301 HA TRP 42 HA TRP 42 0.391 3.787 2.674
302 HB2 TRP 42 HB2 TRP 42 1.906 3.490 5.271
303 HB3 TRP 42 HB1 TRP 42 2.359 4.546 3.944
304 HD1 TRP 42 HD1 TRP 42 -0.584 4.140 6.447
305 HE1 TRP 42 HE1 TRP 42 -1.495 6.491 6.967
306 HE3 TRP 42 HE3 TRP 42 2.391 6.867 3.322
307 HZ2 TRP 42 HZ2 TRP 42 -1.009 9.151 6.143
308 HZ3 TRP 42 HZ3 TRP 42 2.107 9.294 3.239
309 HH2 TRP 42 HH2 TRP 42 0.446 10.423 4.623
310 H CYS 43 HN CYS 43 1.276 2.488 1.004
311 HA CYS 43 HA CYS 43 3.139 0.375 1.746
312 HB2 CYS 43 HB2 CYS 43 2.329 1.348 -0.996
313 HB3 CYS 43 HB1 CYS 43 3.496 0.079 -0.720
314 H THR 44 HN THR 44 5.216 0.611 1.973
315 HA THR 44 HA THR 44 6.489 3.107 1.119
316 HB THR 44 HB THR 44 7.636 1.155 3.107
317 HG1 THR 44 HG1 THR 44 6.290 3.455 3.987
318 HG21 THR 44 HG21 THR 44 8.573 3.444 3.929
319 HG22 THR 44 HG22 THR 44 8.197 3.965 2.282
320 HG23 THR 44 HG23 THR 44 9.305 2.623 2.552
321 H ASN 45 HN ASN 45 8.078 3.080 -0.317
322 HA ASN 45 HA ASN 45 9.794 0.793 -0.677
323 HB2 ASN 45 HB2 ASN 45 7.776 0.392 -2.189
324 HB3 ASN 45 HB1 ASN 45 8.291 1.804 -3.100
325 HD21 ASN 45 HD21 ASN 45 9.165 -1.445 -2.126
326 HD22 ASN 45 HD22 ASN 45 10.287 -1.729 -3.406
327 H ARG 46 HN ARG 46 10.757 1.850 -3.267
328 HA ARG 46 HA ARG 46 11.942 4.352 -2.256
329 HB2 ARG 46 HB2 ARG 46 13.252 2.549 -4.274
330 HB3 ARG 46 HB1 ARG 46 13.987 3.780 -3.255
331 HG2 ARG 46 HG2 ARG 46 14.245 2.389 -1.520
332 HG3 ARG 46 HG1 ARG 46 12.708 1.569 -1.812
333 HD2 ARG 46 HD2 ARG 46 13.679 0.310 -3.621
334 HD3 ARG 46 HD1 ARG 46 15.205 1.183 -3.456
335 HE ARG 46 HE ARG 46 14.705 0.040 -0.994
336 HH11 ARG 46 HH11 ARG 46 15.204 -1.075 -4.275
337 HH12 ARG 46 HH12 ARG 46 15.894 -2.591 -3.789
338 HH21 ARG 46 HH21 ARG 46 15.602 -1.958 -0.351
339 HH22 ARG 46 HH22 ARG 46 16.126 -3.091 -1.555
340 H CYS 47 HN CYS 47 11.600 6.102 -3.465
341 HA CYS 47 HA CYS 47 10.036 5.774 -5.883
342 HB2 CYS 47 HB2 CYS 47 9.756 8.279 -5.670
343 HB3 CYS 47 HB1 CYS 47 9.098 7.326 -4.348
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 12.706 6.595 7.739
2 H2 LYS 1 HT2 LYS 1 12.530 7.684 6.457
3 H3 LYS 1 HT3 LYS 1 13.861 6.643 6.506
4 HA LYS 1 HA LYS 1 12.443 4.735 6.240
5 HB2 LYS 1 HB2 LYS 1 10.081 4.972 5.818
6 HB3 LYS 1 HB1 LYS 1 10.456 5.755 7.346
7 HG2 LYS 1 HG2 LYS 1 10.426 7.927 6.257
8 HG3 LYS 1 HG1 LYS 1 10.088 7.152 4.709
9 HD2 LYS 1 HD2 LYS 1 8.000 6.217 5.731
10 HD3 LYS 1 HD1 LYS 1 8.323 7.215 7.152
11 HE2 LYS 1 HE2 LYS 1 8.304 9.216 5.706
12 HE3 LYS 1 HE1 LYS 1 7.884 8.193 4.334
13 HZ1 LYS 1 HZ1 LYS 1 5.913 9.193 5.202
14 HZ2 LYS 1 HZ2 LYS 1 6.253 8.658 6.769
15 HZ3 LYS 1 HZ3 LYS 1 5.853 7.538 5.563
16 H THR 2 HN THR 2 11.030 4.402 4.084
17 HA THR 2 HA THR 2 12.548 5.737 1.968
18 HB THR 2 HB THR 2 11.384 3.704 0.719
19 HG1 THR 2 HG1 THR 2 12.026 2.349 3.050
20 HG21 THR 2 HG21 THR 2 13.476 2.445 1.136
21 HG22 THR 2 HG22 THR 2 13.868 3.595 2.417
22 HG23 THR 2 HG23 THR 2 13.762 4.140 0.744
23 H CYS 3 HN CYS 3 11.150 5.714 -0.196
24 HA CYS 3 HA CYS 3 9.216 7.701 0.079
25 HB2 CYS 3 HB2 CYS 3 9.342 5.676 -2.168
26 HB3 CYS 3 HB1 CYS 3 8.644 7.291 -2.238
27 H GLU 4 HN GLU 4 7.321 7.579 1.058
28 HA GLU 4 HA GLU 4 5.815 5.058 0.934
29 HB2 GLU 4 HB2 GLU 4 6.859 5.223 3.120
30 HB3 GLU 4 HB1 GLU 4 6.256 6.863 3.315
31 HG2 GLU 4 HG2 GLU 4 3.928 5.904 3.198
32 HG3 GLU 4 HG1 GLU 4 4.665 4.300 3.323
33 H ASN 5 HN ASN 5 3.679 5.253 0.537
34 HA ASN 5 HA ASN 5 2.447 7.868 0.938
35 HB2 ASN 5 HB2 ASN 5 1.377 7.898 -1.201
36 HB3 ASN 5 HB1 ASN 5 3.098 7.690 -1.461
37 HD21 ASN 5 HD21 ASN 5 -0.004 6.113 -1.478
38 HD22 ASN 5 HD22 ASN 5 0.461 4.779 -2.486
39 H LEU 6 HN LEU 6 0.200 7.794 1.134
40 HA LEU 6 HA LEU 6 -0.735 5.269 2.208
41 HB2 LEU 6 HB2 LEU 6 -1.061 7.796 3.107
42 HB3 LEU 6 HB1 LEU 6 -2.530 7.613 2.167
43 HG LEU 6 HG LEU 6 -1.652 5.932 4.534
44 HD11 LEU 6 HD11 LEU 6 -3.754 6.758 5.491
45 HD12 LEU 6 HD12 LEU 6 -4.033 7.728 4.046
46 HD13 LEU 6 HD13 LEU 6 -2.657 8.079 5.092
47 HD21 LEU 6 HD21 LEU 6 -3.880 5.513 2.569
48 HD22 LEU 6 HD22 LEU 6 -3.870 4.823 4.194
49 HD23 LEU 6 HD23 LEU 6 -2.599 4.388 3.049
50 H SER 7 HN SER 7 -1.749 3.925 0.966
51 HA SER 7 HA SER 7 -2.968 4.873 -1.506
52 HB2 SER 7 HB2 SER 7 -1.346 2.855 -1.333
53 HB3 SER 7 HB1 SER 7 -2.720 1.991 -0.647
54 HG SER 7 HG SER 7 -3.148 3.401 -3.015
55 H GLY 8 HN GLY 8 -5.041 5.347 -1.472
56 HA2 GLY 8 HA2 GLY 8 -7.126 3.749 -0.722
57 HA3 GLY 8 HA1 GLY 8 -6.726 4.646 0.735
58 H THR 9 HN THR 9 -8.029 6.309 1.006
59 HA THR 9 HA THR 9 -9.491 7.506 -1.108
60 HB THR 9 HB THR 9 -10.443 7.507 1.104
61 HG1 THR 9 HG1 THR 9 -11.049 9.294 -0.131
62 HG21 THR 9 HG21 THR 9 -8.415 7.552 2.444
63 HG22 THR 9 HG22 THR 9 -9.493 8.859 2.934
64 HG23 THR 9 HG23 THR 9 -8.086 9.207 1.928
65 H PHE 10 HN PHE 10 -6.568 8.463 0.675
66 HA PHE 10 HA PHE 10 -6.325 10.854 -0.965
67 HB2 PHE 10 HB2 PHE 10 -5.834 10.840 1.524
68 HB3 PHE 10 HB1 PHE 10 -4.437 9.833 1.170
69 HD1 PHE 10 HD1 PHE 10 -2.490 11.015 1.381
70 HD2 PHE 10 HD2 PHE 10 -5.869 12.919 -0.373
71 HE1 PHE 10 HE1 PHE 10 -1.148 13.042 0.997
72 HE2 PHE 10 HE2 PHE 10 -4.530 14.944 -0.766
73 HZ PHE 10 HZ PHE 10 -2.166 15.006 -0.081
74 H LYS 11 HN LYS 11 -4.555 11.145 -2.399
75 HA LYS 11 HA LYS 11 -2.911 10.551 -3.865
76 HB2 LYS 11 HB2 LYS 11 -2.405 8.353 -1.851
77 HB3 LYS 11 HB1 LYS 11 -1.315 8.813 -3.150
78 HG2 LYS 11 HG2 LYS 11 -0.638 10.721 -2.101
79 HG3 LYS 11 HG1 LYS 11 -2.158 10.912 -1.232
80 HD2 LYS 11 HD2 LYS 11 -1.566 9.485 0.436
81 HD3 LYS 11 HD1 LYS 11 -0.471 8.575 -0.591
82 HE2 LYS 11 HE2 LYS 11 -0.033 11.285 0.644
83 HE3 LYS 11 HE1 LYS 11 0.849 9.800 0.990
84 HZ1 LYS 11 HZ1 LYS 11 2.173 11.199 -0.404
85 HZ2 LYS 11 HZ2 LYS 11 0.928 11.363 -1.533
86 HZ3 LYS 11 HZ3 LYS 11 1.683 9.866 -1.323
87 H GLY 12 HN GLY 12 -2.091 7.655 -4.211
88 HA2 GLY 12 HA2 GLY 12 -4.224 6.985 -6.072
89 HA3 GLY 12 HA1 GLY 12 -2.656 6.205 -5.967
90 HA PRO 13 HA PRO 13 -5.984 3.911 -3.370
91 HB2 PRO 13 HB2 PRO 13 -7.710 2.833 -5.122
92 HB3 PRO 13 HB1 PRO 13 -7.953 4.447 -4.442
93 HG2 PRO 13 HG2 PRO 13 -6.863 3.659 -7.116
94 HG3 PRO 13 HG1 PRO 13 -7.999 4.959 -6.712
95 HD2 PRO 13 HD2 PRO 13 -5.322 5.341 -7.145
96 HD3 PRO 13 HD1 PRO 13 -6.319 6.399 -6.129
97 H CYS 14 HN CYS 14 -6.504 1.484 -3.557
98 HA CYS 14 HA CYS 14 -4.652 0.079 -5.319
99 HB2 CYS 14 HB2 CYS 14 -3.417 0.522 -3.241
100 HB3 CYS 14 HB1 CYS 14 -4.682 -0.268 -2.318
101 H ILE 15 HN ILE 15 -6.476 -0.995 -2.445
102 HA ILE 15 HA ILE 15 -8.196 -2.654 -4.113
103 HB ILE 15 HB ILE 15 -7.585 -4.691 -2.831
104 HG12 ILE 15 HG12 ILE 15 -5.455 -2.829 -1.799
105 HG13 ILE 15 HG11 ILE 15 -6.589 -3.811 -0.880
106 HG21 ILE 15 HG21 ILE 15 -6.733 -4.392 -5.079
107 HG22 ILE 15 HG22 ILE 15 -5.509 -5.164 -4.072
108 HG23 ILE 15 HG23 ILE 15 -5.375 -3.449 -4.466
109 HD11 ILE 15 HD11 ILE 15 -4.264 -4.803 -2.491
110 HD12 ILE 15 HD12 ILE 15 -5.422 -5.822 -1.639
111 HD13 ILE 15 HD13 ILE 15 -4.380 -4.724 -0.735
112 HA PRO 16 HA PRO 16 -10.757 -1.854 -0.564
113 HB2 PRO 16 HB2 PRO 16 -13.056 -2.711 -1.607
114 HB3 PRO 16 HB1 PRO 16 -12.220 -1.305 -2.273
115 HG2 PRO 16 HG2 PRO 16 -12.465 -4.047 -3.363
116 HG3 PRO 16 HG1 PRO 16 -12.247 -2.513 -4.218
117 HD2 PRO 16 HD2 PRO 16 -10.249 -4.443 -3.532
118 HD3 PRO 16 HD1 PRO 16 -10.021 -2.882 -4.337
119 H ASP 17 HN ASP 17 -9.228 -4.339 -0.263
120 HA ASP 17 HA ASP 17 -11.345 -6.123 0.751
121 HB2 ASP 17 HB2 ASP 17 -10.030 -7.113 -1.060
122 HB3 ASP 17 HB1 ASP 17 -8.553 -6.856 -0.138
123 H GLY 18 HN GLY 18 -8.521 -4.331 1.672
124 HA2 GLY 18 HA2 GLY 18 -8.170 -3.740 3.962
125 HA3 GLY 18 HA1 GLY 18 -8.978 -5.216 4.437
126 H ASN 19 HN ASN 19 -7.219 -6.443 2.219
127 HA ASN 19 HA ASN 19 -5.051 -7.279 3.862
128 HB2 ASN 19 HB2 ASN 19 -4.464 -8.663 1.920
129 HB3 ASN 19 HB1 ASN 19 -6.169 -8.779 2.317
130 HD21 ASN 19 HD21 ASN 19 -6.629 -6.080 1.067
131 HD22 ASN 19 HD22 ASN 19 -6.673 -6.383 -0.626
132 H CYS 20 HN CYS 20 -4.614 -4.604 3.731
133 HA CYS 20 HA CYS 20 -3.217 -3.677 1.536
134 HB2 CYS 20 HB2 CYS 20 -2.415 -1.867 2.898
135 HB3 CYS 20 HB1 CYS 20 -4.090 -2.152 3.272
136 H ASN 21 HN ASN 21 -1.839 -4.747 4.613
137 HA ASN 21 HA ASN 21 0.820 -4.432 4.007
138 HB2 ASN 21 HB2 ASN 21 -0.361 -6.626 5.715
139 HB3 ASN 21 HB1 ASN 21 1.291 -6.052 5.788
140 HD21 ASN 21 HD21 ASN 21 0.524 -3.275 5.497
141 HD22 ASN 21 HD22 ASN 21 -0.195 -2.823 6.994
142 H LYS 22 HN LYS 22 -1.006 -7.468 3.776
143 HA LYS 22 HA LYS 22 1.197 -8.917 2.748
144 HB2 LYS 22 HB2 LYS 22 -0.793 -10.547 2.089
145 HB3 LYS 22 HB1 LYS 22 -0.236 -10.373 3.745
146 HG2 LYS 22 HG2 LYS 22 -2.067 -8.880 4.244
147 HG3 LYS 22 HG1 LYS 22 -2.612 -8.922 2.563
148 HD2 LYS 22 HD2 LYS 22 -3.143 -11.251 2.732
149 HD3 LYS 22 HD1 LYS 22 -2.394 -11.363 4.325
150 HE2 LYS 22 HE2 LYS 22 -4.778 -9.631 3.699
151 HE3 LYS 22 HE1 LYS 22 -4.896 -11.269 4.335
152 HZ1 LYS 22 HZ1 LYS 22 -3.737 -10.593 6.302
153 HZ2 LYS 22 HZ2 LYS 22 -5.039 -9.542 6.058
154 HZ3 LYS 22 HZ3 LYS 22 -3.469 -9.044 5.683
155 H HIS 23 HN HIS 23 -1.349 -7.087 1.139
156 HA HIS 23 HA HIS 23 -1.105 -8.399 -1.352
157 HB2 HIS 23 HB2 HIS 23 -2.963 -6.804 -0.657
158 HB3 HIS 23 HB1 HIS 23 -1.851 -5.501 -1.066
159 HD1 HIS 23 HD1 HIS 23 -1.463 -5.014 -3.546
160 HD2 HIS 23 HD2 HIS 23 -3.889 -8.320 -2.869
161 HE1 HIS 23 HE1 HIS 23 -2.449 -5.595 -5.781
162 HE2 HIS 23 HE2 HIS 23 -3.739 -7.724 -5.379
163 H CYS 24 HN CYS 24 0.361 -5.341 -0.211
164 HA CYS 24 HA CYS 24 1.999 -4.901 -2.441
165 HB2 CYS 24 HB2 CYS 24 2.150 -4.114 0.420
166 HB3 CYS 24 HB1 CYS 24 3.639 -4.027 -0.505
167 H ARG 25 HN ARG 25 2.765 -6.695 0.555
168 HA ARG 25 HA ARG 25 5.348 -7.227 -0.288
169 HB2 ARG 25 HB2 ARG 25 3.687 -7.985 1.994
170 HB3 ARG 25 HB1 ARG 25 5.085 -9.006 1.670
171 HG2 ARG 25 HG2 ARG 25 5.964 -7.323 3.028
172 HG3 ARG 25 HG1 ARG 25 6.315 -6.803 1.373
173 HD2 ARG 25 HD2 ARG 25 5.422 -4.849 2.250
174 HD3 ARG 25 HD1 ARG 25 4.066 -5.667 1.472
175 HE ARG 25 HE ARG 25 3.132 -6.125 3.546
176 HH11 ARG 25 HH11 ARG 25 6.335 -4.750 3.932
177 HH12 ARG 25 HH12 ARG 25 6.167 -4.502 5.636
178 HH21 ARG 25 HH21 ARG 25 2.934 -5.825 5.811
179 HH22 ARG 25 HH22 ARG 25 4.227 -5.094 6.702
180 H ASN 26 HN ASN 26 2.468 -9.132 -0.612
181 HA ASN 26 HA ASN 26 3.925 -11.519 -1.330
182 HB2 ASN 26 HB2 ASN 26 0.996 -10.812 -1.355
183 HB3 ASN 26 HB1 ASN 26 1.587 -12.311 -2.051
184 HD21 ASN 26 HD21 ASN 26 3.092 -10.908 0.732
185 HD22 ASN 26 HD22 ASN 26 2.542 -12.077 1.876
186 H ASN 27 HN ASN 27 2.242 -8.935 -2.990
187 HA ASN 27 HA ASN 27 2.570 -10.230 -5.558
188 HB2 ASN 27 HB2 ASN 27 1.347 -7.573 -4.800
189 HB3 ASN 27 HB1 ASN 27 1.394 -8.215 -6.439
190 HD21 ASN 27 HD21 ASN 27 0.003 -8.529 -3.265
191 HD22 ASN 27 HD22 ASN 27 -1.274 -9.619 -3.725
192 H GLU 28 HN GLU 28 3.684 -7.203 -4.027
193 HA GLU 28 HA GLU 28 5.590 -6.938 -6.258
194 HB2 GLU 28 HB2 GLU 28 3.740 -5.205 -5.919
195 HB3 GLU 28 HB1 GLU 28 4.627 -4.693 -4.493
196 HG2 GLU 28 HG2 GLU 28 5.182 -3.260 -6.322
197 HG3 GLU 28 HG1 GLU 28 6.590 -4.251 -5.933
198 H HIS 29 HN HIS 29 5.231 -7.079 -2.812
199 HA HIS 29 HA HIS 29 6.690 -7.516 -1.187
200 HB2 HIS 29 HB2 HIS 29 7.870 -8.937 -2.958
201 HB3 HIS 29 HB1 HIS 29 9.025 -7.601 -3.053
202 HD1 HIS 29 HD1 HIS 29 7.328 -9.370 -0.155
203 HD2 HIS 29 HD2 HIS 29 11.109 -8.164 -1.383
204 HE1 HIS 29 HE1 HIS 29 8.804 -9.717 1.825
205 HE2 HIS 29 HE2 HIS 29 11.086 -8.919 1.097
206 H LEU 30 HN LEU 30 5.951 -5.017 -1.323
207 HA LEU 30 HA LEU 30 8.270 -3.303 -1.469
208 HB2 LEU 30 HB2 LEU 30 5.522 -2.524 -0.533
209 HB3 LEU 30 HB1 LEU 30 6.824 -1.462 -1.018
210 HG LEU 30 HG LEU 30 5.060 -3.168 -2.751
211 HD11 LEU 30 HD11 LEU 30 5.814 -0.253 -2.769
212 HD12 LEU 30 HD12 LEU 30 4.280 -0.931 -2.220
213 HD13 LEU 30 HD13 LEU 30 4.738 -1.038 -3.924
214 HD21 LEU 30 HD21 LEU 30 6.475 -2.582 -4.659
215 HD22 LEU 30 HD22 LEU 30 7.331 -3.599 -3.500
216 HD23 LEU 30 HD23 LEU 30 7.655 -1.865 -3.561
217 H LEU 31 HN LEU 31 7.879 -1.479 0.540
218 HA LEU 31 HA LEU 31 9.285 -3.049 2.546
219 HB2 LEU 31 HB2 LEU 31 9.045 -0.058 2.392
220 HB3 LEU 31 HB1 LEU 31 10.293 -0.997 3.192
221 HG LEU 31 HG LEU 31 9.838 -0.749 0.227
222 HD11 LEU 31 HD11 LEU 31 12.121 0.124 1.983
223 HD12 LEU 31 HD12 LEU 31 10.947 1.175 1.194
224 HD13 LEU 31 HD13 LEU 31 12.084 0.237 0.226
225 HD21 LEU 31 HD21 LEU 31 11.876 -2.139 0.005
226 HD22 LEU 31 HD22 LEU 31 10.479 -2.998 0.654
227 HD23 LEU 31 HD23 LEU 31 11.778 -2.484 1.734
228 H SER 32 HN SER 32 6.744 -0.493 2.629
229 HA SER 32 HA SER 32 6.088 -1.403 5.349
230 HB2 SER 32 HB2 SER 32 6.123 1.087 4.672
231 HB3 SER 32 HB1 SER 32 4.612 0.742 3.846
232 HG SER 32 HG SER 32 4.392 1.533 6.036
233 H GLY 33 HN GLY 33 4.999 -1.537 2.121
234 HA2 GLY 33 HA2 GLY 33 3.545 -2.872 1.061
235 HA3 GLY 33 HA1 GLY 33 3.622 -3.915 2.456
236 H ARG 34 HN ARG 34 2.364 -0.767 3.161
237 HA ARG 34 HA ARG 34 -0.182 -1.975 3.735
238 HB2 ARG 34 HB2 ARG 34 1.312 0.447 4.254
239 HB3 ARG 34 HB1 ARG 34 -0.380 0.806 4.034
240 HG2 ARG 34 HG2 ARG 34 -0.905 -0.770 5.848
241 HG3 ARG 34 HG1 ARG 34 0.816 -1.120 6.029
242 HD2 ARG 34 HD2 ARG 34 1.275 1.150 6.662
243 HD3 ARG 34 HD1 ARG 34 -0.386 1.649 6.299
244 HE ARG 34 HE ARG 34 -0.940 -0.049 8.161
245 HH11 ARG 34 HH11 ARG 34 1.919 1.988 8.100
246 HH12 ARG 34 HH12 ARG 34 2.058 2.047 9.826
247 HH21 ARG 34 HH21 ARG 34 -0.750 0.036 10.422
248 HH22 ARG 34 HH22 ARG 34 0.544 0.936 11.148
249 H CYS 35 HN CYS 35 -0.710 -2.608 1.377
250 HA CYS 35 HA CYS 35 -1.585 -0.341 -0.249
251 HB2 CYS 35 HB2 CYS 35 -0.173 -2.403 -1.057
252 HB3 CYS 35 HB1 CYS 35 -1.760 -3.138 -1.241
253 H ARG 36 HN ARG 36 -3.688 0.394 0.151
254 HA ARG 36 HA ARG 36 -5.753 -1.532 -0.554
255 HB2 ARG 36 HB2 ARG 36 -5.727 -0.068 2.038
256 HB3 ARG 36 HB1 ARG 36 -7.239 -0.540 1.284
257 HG2 ARG 36 HG2 ARG 36 -6.682 -2.814 1.379
258 HG3 ARG 36 HG1 ARG 36 -5.045 -2.460 1.885
259 HD2 ARG 36 HD2 ARG 36 -7.587 -2.234 3.406
260 HD3 ARG 36 HD1 ARG 36 -6.131 -3.098 3.842
261 HE ARG 36 HE ARG 36 -5.803 -0.247 3.775
262 HH11 ARG 36 HH11 ARG 36 -6.699 -3.037 5.707
263 HH12 ARG 36 HH12 ARG 36 -6.535 -2.209 7.220
264 HH21 ARG 36 HH21 ARG 36 -5.627 0.866 5.820
265 HH22 ARG 36 HH22 ARG 36 -5.951 -0.012 7.281
266 H ASP 37 HN ASP 37 -8.005 -0.320 -0.452
267 HA ASP 37 HA ASP 37 -7.755 2.328 -1.706
268 HB2 ASP 37 HB2 ASP 37 -8.110 0.970 -3.585
269 HB3 ASP 37 HB1 ASP 37 -9.210 -0.096 -2.720
270 H ASP 38 HN ASP 38 -10.419 0.102 -0.888
271 HA ASP 38 HA ASP 38 -12.214 2.001 0.067
272 HB2 ASP 38 HB2 ASP 38 -12.781 -0.368 -0.439
273 HB3 ASP 38 HB1 ASP 38 -11.912 -0.865 1.007
274 H PHE 39 HN PHE 39 -10.021 -0.071 1.873
275 HA PHE 39 HA PHE 39 -10.051 1.746 4.156
276 HB2 PHE 39 HB2 PHE 39 -8.335 -0.710 3.859
277 HB3 PHE 39 HB1 PHE 39 -8.899 0.052 5.339
278 HD1 PHE 39 HD1 PHE 39 -9.739 -2.256 2.641
279 HD2 PHE 39 HD2 PHE 39 -11.162 -0.308 6.150
280 HE1 PHE 39 HE1 PHE 39 -11.631 -3.825 2.743
281 HE2 PHE 39 HE2 PHE 39 -13.053 -1.879 6.255
282 HZ PHE 39 HZ PHE 39 -13.290 -3.637 4.551
283 H ARG 40 HN ARG 40 -7.756 2.378 4.967
284 HA ARG 40 HA ARG 40 -6.132 2.912 2.577
285 HB2 ARG 40 HB2 ARG 40 -5.633 5.162 3.517
286 HB3 ARG 40 HB1 ARG 40 -7.323 4.935 3.106
287 HG2 ARG 40 HG2 ARG 40 -7.843 4.537 5.458
288 HG3 ARG 40 HG1 ARG 40 -6.144 4.777 5.869
289 HD2 ARG 40 HD2 ARG 40 -6.257 7.059 5.004
290 HD3 ARG 40 HD1 ARG 40 -7.953 6.819 4.585
291 HE ARG 40 HE ARG 40 -7.558 6.262 7.319
292 HH11 ARG 40 HH11 ARG 40 -7.651 8.955 5.090
293 HH12 ARG 40 HH12 ARG 40 -8.175 10.096 6.289
294 HH21 ARG 40 HH21 ARG 40 -8.248 7.759 8.901
295 HH22 ARG 40 HH22 ARG 40 -8.520 9.413 8.453
296 H CYS 41 HN CYS 41 -4.131 2.335 2.673
297 HA CYS 41 HA CYS 41 -2.783 2.081 5.267
298 HB2 CYS 41 HB2 CYS 41 -3.548 0.007 3.404
299 HB3 CYS 41 HB1 CYS 41 -1.819 -0.011 3.658
300 H TRP 42 HN TRP 42 -0.561 2.767 5.262
301 HA TRP 42 HA TRP 42 0.501 4.082 2.900
302 HB2 TRP 42 HB2 TRP 42 1.721 3.630 5.632
303 HB3 TRP 42 HB1 TRP 42 2.458 4.592 4.364
304 HD1 TRP 42 HD1 TRP 42 -0.392 4.668 6.909
305 HE1 TRP 42 HE1 TRP 42 -1.184 7.099 7.192
306 HE3 TRP 42 HE3 TRP 42 2.342 6.861 3.190
307 HZ2 TRP 42 HZ2 TRP 42 -0.710 9.613 5.993
308 HZ3 TRP 42 HZ3 TRP 42 2.121 9.268 2.824
309 HH2 TRP 42 HH2 TRP 42 0.616 10.623 4.183
310 H CYS 43 HN CYS 43 1.284 2.631 1.275
311 HA CYS 43 HA CYS 43 3.125 0.546 2.220
312 HB2 CYS 43 HB2 CYS 43 1.393 -0.138 0.580
313 HB3 CYS 43 HB1 CYS 43 2.116 0.942 -0.614
314 H THR 44 HN THR 44 5.236 0.670 2.011
315 HA THR 44 HA THR 44 6.345 3.143 0.885
316 HB THR 44 HB THR 44 7.618 1.380 2.985
317 HG1 THR 44 HG1 THR 44 6.788 3.496 4.182
318 HG21 THR 44 HG21 THR 44 8.797 3.523 3.522
319 HG22 THR 44 HG22 THR 44 8.132 4.177 2.024
320 HG23 THR 44 HG23 THR 44 9.220 2.789 1.977
321 H ASN 45 HN ASN 45 8.171 3.099 -0.367
322 HA ASN 45 HA ASN 45 9.681 0.710 -0.892
323 HB2 ASN 45 HB2 ASN 45 7.633 0.414 -2.325
324 HB3 ASN 45 HB1 ASN 45 8.053 1.906 -3.154
325 HD21 ASN 45 HD21 ASN 45 9.034 -1.393 -2.540
326 HD22 ASN 45 HD22 ASN 45 10.047 -1.553 -3.933
327 H ARG 46 HN ARG 46 11.176 1.400 -2.994
328 HA ARG 46 HA ARG 46 12.171 4.071 -2.294
329 HB2 ARG 46 HB2 ARG 46 13.546 2.048 -4.065
330 HB3 ARG 46 HB1 ARG 46 14.253 3.451 -3.289
331 HG2 ARG 46 HG2 ARG 46 15.025 1.910 -1.847
332 HG3 ARG 46 HG1 ARG 46 13.427 2.110 -1.119
333 HD2 ARG 46 HD2 ARG 46 12.588 0.216 -2.347
334 HD3 ARG 46 HD1 ARG 46 14.117 0.045 -3.197
335 HE ARG 46 HE ARG 46 14.360 -0.133 -0.334
336 HH11 ARG 46 HH11 ARG 46 13.683 -1.909 -3.277
337 HH12 ARG 46 HH12 ARG 46 14.214 -3.428 -2.634
338 HH21 ARG 46 HH21 ARG 46 15.059 -2.132 0.516
339 HH22 ARG 46 HH22 ARG 46 14.993 -3.557 -0.472
340 H CYS 47 HN CYS 47 11.583 5.697 -3.588
341 HA CYS 47 HA CYS 47 10.334 5.033 -6.122
342 HB2 CYS 47 HB2 CYS 47 9.542 7.380 -6.101
343 HB3 CYS 47 HB1 CYS 47 9.068 6.485 -4.665