NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586479 |
2mjy   |
19746 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 2.325 -4.923 -11.164
2 H2 LEU 1 H2 LEU 1 2.646 -6.584 -11.318
3 H3 LEU 1 H3 LEU 1 3.409 -5.677 -10.101
4 HA LEU 1 HA LEU 1 0.855 -5.197 -9.513
5 HB2 LEU 1 HB2 LEU 1 1.043 -7.735 -11.059
6 HB3 LEU 1 HB3 LEU 1 0.055 -7.765 -9.598
7 HG LEU 1 HG LEU 1 -0.275 -5.467 -11.486
8 HD11 LEU 1 HD11 LEU 1 -2.179 -7.083 -12.443
9 HD12 LEU 1 HD12 LEU 1 -0.992 -8.316 -12.019
10 HD13 LEU 1 HD13 LEU 1 -0.566 -7.035 -13.154
11 HD21 LEU 1 HD21 LEU 1 -2.046 -7.060 -9.613
12 HD22 LEU 1 HD22 LEU 1 -2.669 -5.815 -10.697
13 HD23 LEU 1 HD23 LEU 1 -1.521 -5.386 -9.429
14 H LYS 2 H LYS 2 2.585 -4.832 -7.861
15 HA LYS 2 HA LYS 2 2.378 -6.756 -5.774
16 HB2 LYS 2 HB2 LYS 2 4.758 -7.359 -5.606
17 HB3 LYS 2 HB3 LYS 2 4.056 -7.940 -7.116
18 HG2 LYS 2 HG2 LYS 2 5.026 -5.276 -7.538
19 HG3 LYS 2 HG3 LYS 2 6.307 -6.220 -6.777
20 HD2 LYS 2 HD2 LYS 2 5.738 -8.044 -8.517
21 HD3 LYS 2 HD3 LYS 2 4.864 -6.770 -9.370
22 HE2 LYS 2 HE2 LYS 2 7.746 -7.224 -9.162
23 HE3 LYS 2 HE3 LYS 2 6.848 -6.233 -10.312
24 HZ1 LYS 2 HZ1 LYS 2 7.925 -4.608 -9.187
25 HZ2 LYS 2 HZ2 LYS 2 8.026 -5.499 -7.743
26 HZ3 LYS 2 HZ3 LYS 2 6.569 -4.739 -8.176
27 H CYS 3 H CYS 3 3.666 -6.100 -3.857
28 HA CYS 3 HA CYS 3 4.890 -3.510 -3.786
29 HB2 CYS 3 HB2 CYS 3 2.025 -3.833 -2.972
30 HB3 CYS 3 HB3 CYS 3 3.054 -2.720 -2.072
31 H TYR 4 H TYR 4 4.566 -2.881 -1.132
32 HA TYR 4 HA TYR 4 5.978 -5.103 0.138
33 HB2 TYR 4 HB2 TYR 4 5.669 -2.181 0.720
34 HB3 TYR 4 HB3 TYR 4 6.203 -3.280 1.992
35 HD1 TYR 4 HD1 TYR 4 8.172 -4.853 1.458
36 HD2 TYR 4 HD2 TYR 4 7.189 -1.403 -0.902
37 HE1 TYR 4 HE1 TYR 4 10.451 -4.868 0.490
38 HE2 TYR 4 HE2 TYR 4 9.470 -1.414 -1.871
39 HH TYR 4 HH TYR 4 11.310 -3.379 -2.218
40 H GLN 5 H GLN 5 4.324 -6.533 0.567
41 HA GLN 5 HA GLN 5 2.083 -5.633 2.232
42 HB2 GLN 5 HB2 GLN 5 1.958 -7.263 0.182
43 HB3 GLN 5 HB3 GLN 5 2.487 -8.470 1.353
44 HG2 GLN 5 HG2 GLN 5 0.568 -7.376 2.830
45 HG3 GLN 5 HG3 GLN 5 -0.069 -6.923 1.250
46 HE21 GLN 5 HE21 GLN 5 -1.807 -8.578 2.173
47 HE22 GLN 5 HE22 GLN 5 -1.568 -10.199 1.730
48 H HIS 6 H HIS 6 4.881 -7.788 2.323
49 HA HIS 6 HA HIS 6 4.550 -7.964 5.255
50 HB2 HIS 6 HB2 HIS 6 4.111 -10.099 3.704
51 HB3 HIS 6 HB3 HIS 6 5.867 -10.213 3.817
52 HD1 HIS 6 HD1 HIS 6 6.774 -11.256 5.904
53 HD2 HIS 6 HD2 HIS 6 2.850 -9.942 6.414
54 HE1 HIS 6 HE1 HIS 6 6.056 -12.020 8.210
55 H GLY 7 H GLY 7 6.076 -6.007 3.932
56 HA2 GLY 7 HA2 GLY 7 8.144 -5.018 4.248
57 HA3 GLY 7 HA3 GLY 7 8.639 -6.443 5.157
58 H LYS 8 H LYS 8 7.432 -7.670 2.405
59 HA LYS 8 HA LYS 8 9.958 -7.408 0.897
60 HB2 LYS 8 HB2 LYS 8 8.710 -10.020 0.606
61 HB3 LYS 8 HB3 LYS 8 10.380 -9.613 1.000
62 HG2 LYS 8 HG2 LYS 8 9.533 -9.060 3.355
63 HG3 LYS 8 HG3 LYS 8 8.033 -9.863 2.890
64 HD2 LYS 8 HD2 LYS 8 8.994 -11.823 3.446
65 HD3 LYS 8 HD3 LYS 8 10.089 -11.606 2.079
66 HE2 LYS 8 HE2 LYS 8 11.399 -11.942 4.112
67 HE3 LYS 8 HE3 LYS 8 11.606 -10.282 3.555
68 HZ1 LYS 8 HZ1 LYS 8 9.995 -9.542 5.151
69 HZ2 LYS 8 HZ2 LYS 8 11.189 -10.445 5.956
70 HZ3 LYS 8 HZ3 LYS 8 9.669 -11.134 5.636
71 H VAL 9 H VAL 9 9.562 -6.642 -1.070
72 HA VAL 9 HA VAL 9 7.159 -6.068 -2.222
73 HB VAL 9 HB VAL 9 9.658 -6.997 -3.658
74 HG11 VAL 9 HG11 VAL 9 8.715 -5.621 -5.531
75 HG12 VAL 9 HG12 VAL 9 7.222 -5.459 -4.606
76 HG13 VAL 9 HG13 VAL 9 7.748 -7.049 -5.162
77 HG21 VAL 9 HG21 VAL 9 10.024 -4.517 -3.869
78 HG22 VAL 9 HG22 VAL 9 10.108 -5.102 -2.208
79 HG23 VAL 9 HG23 VAL 9 8.661 -4.271 -2.778
80 H VAL 10 H VAL 10 5.554 -7.600 -1.970
81 HA VAL 10 HA VAL 10 5.877 -10.031 -3.624
82 HB VAL 10 HB VAL 10 4.329 -11.141 -1.918
83 HG11 VAL 10 HG11 VAL 10 6.358 -11.334 -0.251
84 HG12 VAL 10 HG12 VAL 10 7.203 -10.386 -1.475
85 HG13 VAL 10 HG13 VAL 10 6.515 -11.955 -1.894
86 HG21 VAL 10 HG21 VAL 10 3.617 -9.921 -0.163
87 HG22 VAL 10 HG22 VAL 10 4.448 -8.513 -0.824
88 HG23 VAL 10 HG23 VAL 10 5.284 -9.583 0.302
89 H THR 11 H THR 11 3.836 -10.952 -4.374
90 HA THR 11 HA THR 11 2.042 -8.877 -5.293
91 HB THR 11 HB THR 11 1.899 -11.875 -5.698
92 HG1 THR 11 HG1 THR 11 2.756 -10.118 -7.669
93 HG21 THR 11 HG21 THR 11 -0.179 -11.159 -6.387
94 HG22 THR 11 HG22 THR 11 0.731 -10.824 -7.861
95 HG23 THR 11 HG23 THR 11 0.381 -9.521 -6.724
96 H CYS 12 H CYS 12 0.520 -8.136 -3.952
97 HA CYS 12 HA CYS 12 -0.435 -9.423 -1.658
98 HB2 CYS 12 HB2 CYS 12 -2.225 -7.532 -3.111
99 HB3 CYS 12 HB3 CYS 12 -1.805 -7.596 -1.399
100 H HIS 13 H HIS 13 -3.276 -9.120 -1.964
101 HA HIS 13 HA HIS 13 -4.008 -11.166 -3.938
102 HB2 HIS 13 HB2 HIS 13 -3.437 -12.140 -1.582
103 HB3 HIS 13 HB3 HIS 13 -4.998 -11.462 -1.121
104 HD1 HIS 13 HD1 HIS 13 -4.584 -14.535 -1.208
105 HD2 HIS 13 HD2 HIS 13 -6.106 -12.305 -4.384
106 HE1 HIS 13 HE1 HIS 13 -5.912 -16.146 -2.642
107 H ARG 14 H ARG 14 -6.579 -11.472 -2.408
108 HA ARG 14 HA ARG 14 -8.707 -10.631 -2.784
109 HB2 ARG 14 HB2 ARG 14 -7.260 -8.300 -1.508
110 HB3 ARG 14 HB3 ARG 14 -9.011 -8.384 -1.705
111 HG2 ARG 14 HG2 ARG 14 -9.191 -10.266 -0.264
112 HG3 ARG 14 HG3 ARG 14 -7.454 -10.570 -0.318
113 HD2 ARG 14 HD2 ARG 14 -8.860 -8.239 1.005
114 HD3 ARG 14 HD3 ARG 14 -7.944 -9.517 1.798
115 HE ARG 14 HE ARG 14 -6.863 -7.148 0.635
116 HH11 ARG 14 HH21 ARG 14 -6.326 -10.536 1.079
117 HH12 ARG 14 HH22 ARG 14 -4.601 -10.417 0.988
118 HH21 ARG 14 HH11 ARG 14 -4.600 -6.981 0.514
119 HH22 ARG 14 HH12 ARG 14 -3.623 -8.403 0.667
120 H ASP 15 H ASP 15 -6.612 -10.171 -4.943
121 HA ASP 15 HA ASP 15 -6.496 -9.128 -6.991
122 HB2 ASP 15 HB2 ASP 15 -9.037 -9.809 -6.759
123 HB3 ASP 15 HB3 ASP 15 -9.272 -8.065 -6.641
124 H MET 16 H MET 16 -5.144 -7.695 -5.351
125 HA MET 16 HA MET 16 -6.194 -5.033 -4.956
126 HB2 MET 16 HB2 MET 16 -4.467 -4.782 -3.523
127 HB3 MET 16 HB3 MET 16 -4.255 -6.520 -3.709
128 HG2 MET 16 HG2 MET 16 -2.108 -5.567 -4.120
129 HG3 MET 16 HG3 MET 16 -2.752 -5.976 -5.709
130 HE1 MET 16 HE1 MET 16 -0.960 -4.570 -6.655
131 HE2 MET 16 HE2 MET 16 -0.340 -3.790 -5.203
132 HE3 MET 16 HE3 MET 16 -0.828 -2.808 -6.581
133 H LYS 17 H LYS 17 -5.761 -3.222 -6.112
134 HA LYS 17 HA LYS 17 -4.037 -3.503 -8.498
135 HB2 LYS 17 HB2 LYS 17 -6.651 -3.461 -8.813
136 HB3 LYS 17 HB3 LYS 17 -6.450 -1.729 -8.547
137 HG2 LYS 17 HG2 LYS 17 -4.933 -1.535 -10.399
138 HG3 LYS 17 HG3 LYS 17 -4.821 -3.287 -10.568
139 HD2 LYS 17 HD2 LYS 17 -7.163 -3.419 -11.227
140 HD3 LYS 17 HD3 LYS 17 -7.371 -1.690 -10.943
141 HE2 LYS 17 HE2 LYS 17 -5.340 -2.770 -12.904
142 HE3 LYS 17 HE3 LYS 17 -6.996 -2.388 -13.375
143 HZ1 LYS 17 HZ1 LYS 17 -5.976 -0.404 -13.775
144 HZ2 LYS 17 HZ2 LYS 17 -4.838 -0.594 -12.528
145 HZ3 LYS 17 HZ3 LYS 17 -6.439 -0.157 -12.162
146 H PHE 18 H PHE 18 -4.542 -1.971 -5.616
147 HA PHE 18 HA PHE 18 -2.836 0.287 -6.415
148 HB2 PHE 18 HB2 PHE 18 -5.359 0.553 -4.769
149 HB3 PHE 18 HB3 PHE 18 -4.199 1.841 -5.081
150 HD1 PHE 18 HD2 PHE 18 -3.558 2.030 -7.721
151 HD2 PHE 18 HD1 PHE 18 -7.252 0.527 -6.122
152 HE1 PHE 18 HE2 PHE 18 -4.694 2.538 -9.866
153 HE2 PHE 18 HE1 PHE 18 -8.387 1.036 -8.268
154 HZ PHE 18 HZ PHE 18 -7.108 2.041 -10.140
155 H CYS 19 H CYS 19 -1.335 0.840 -4.920
156 HA CYS 19 HA CYS 19 -1.288 -0.765 -2.444
157 HB2 CYS 19 HB2 CYS 19 0.971 0.731 -3.800
158 HB3 CYS 19 HB3 CYS 19 1.115 -0.301 -2.379
159 H TYR 20 H TYR 20 -1.247 0.234 -0.463
160 HA TYR 20 HA TYR 20 -1.294 3.190 -0.501
161 HB2 TYR 20 HB2 TYR 20 -2.982 3.154 1.247
162 HB3 TYR 20 HB3 TYR 20 -3.546 2.229 -0.143
163 HD1 TYR 20 HD1 TYR 20 -2.025 1.937 3.237
164 HD2 TYR 20 HD2 TYR 20 -4.000 -0.104 0.015
165 HE1 TYR 20 HE1 TYR 20 -2.308 -0.063 4.677
166 HE2 TYR 20 HE2 TYR 20 -4.282 -2.104 1.454
167 HH TYR 20 HH TYR 20 -4.350 -2.293 4.342
168 H HIS 21 H HIS 21 -0.327 4.269 1.156
169 HA HIS 21 HA HIS 21 1.354 2.632 2.958
170 HB2 HIS 21 HB2 HIS 21 2.289 4.337 1.107
171 HB3 HIS 21 HB3 HIS 21 2.039 5.476 2.431
172 HD1 HIS 21 HD1 HIS 21 4.746 3.845 1.169
173 HD2 HIS 21 HD2 HIS 21 3.043 3.699 4.970
174 HE1 HIS 21 HE1 HIS 21 6.560 3.026 2.735
175 H ASN 22 H ASN 22 -0.621 2.620 4.342
176 HA ASN 22 HA ASN 22 -1.603 5.032 5.495
177 HB2 ASN 22 HB2 ASN 22 -3.036 3.135 5.578
178 HB3 ASN 22 HB3 ASN 22 -1.785 2.132 6.310
179 HD21 ASN 22 HD21 ASN 22 -3.091 5.406 7.117
180 HD22 ASN 22 HD22 ASN 22 -3.400 5.032 8.744
181 H THR 23 H THR 23 -0.656 6.298 6.947
182 HA THR 23 HA THR 23 1.507 5.158 8.608
183 HB THR 23 HB THR 23 2.334 7.491 8.793
184 HG1 THR 23 HG1 THR 23 -0.063 7.933 7.572
185 HG21 THR 23 HG21 THR 23 3.553 7.182 6.914
186 HG22 THR 23 HG22 THR 23 2.127 7.261 5.880
187 HG23 THR 23 HG23 THR 23 2.564 5.743 6.663
188 H GLY 24 H GLY 24 -1.659 6.317 8.682
189 HA2 GLY 24 HA2 GLY 24 -1.773 7.722 11.116
190 HA3 GLY 24 HA3 GLY 24 -3.108 6.826 10.398
191 H MET 25 H MET 25 -3.925 5.722 12.106
192 HA MET 25 HA MET 25 -3.980 4.396 14.011
193 HB2 MET 25 HB2 MET 25 -3.502 2.933 11.833
194 HB3 MET 25 HB3 MET 25 -2.009 2.585 12.706
195 HG2 MET 25 HG2 MET 25 -3.418 2.008 14.719
196 HG3 MET 25 HG3 MET 25 -4.842 2.152 13.688
197 HE1 MET 25 HE1 MET 25 -5.245 -1.428 13.245
198 HE2 MET 25 HE2 MET 25 -5.853 0.080 12.566
199 HE3 MET 25 HE3 MET 25 -5.583 -0.050 14.303
200 HA PRO 26 HA PRO 26 -0.025 5.680 15.890
201 HB2 PRO 26 HB2 PRO 26 -1.089 6.686 18.174
202 HB3 PRO 26 HB3 PRO 26 -1.057 7.600 16.655
203 HG2 PRO 26 HG2 PRO 26 -3.308 6.188 17.965
204 HG3 PRO 26 HG3 PRO 26 -3.309 7.670 16.996
205 HD2 PRO 26 HD2 PRO 26 -4.047 5.129 16.072
206 HD3 PRO 26 HD3 PRO 26 -3.637 6.520 15.046
207 H PHE 27 H PHE 27 0.426 3.362 16.047
208 HA PHE 27 HA PHE 27 -0.193 2.270 18.727
209 HB2 PHE 27 HB2 PHE 27 -1.347 0.824 17.301
210 HB3 PHE 27 HB3 PHE 27 -0.126 0.940 16.034
211 HD1 PHE 27 HD2 PHE 27 -0.344 -0.063 19.650
212 HD2 PHE 27 HD1 PHE 27 1.289 -0.882 15.763
213 HE1 PHE 27 HE2 PHE 27 0.782 -2.081 20.549
214 HE2 PHE 27 HE1 PHE 27 2.416 -2.901 16.661
215 HZ PHE 27 HZ PHE 27 2.162 -3.500 19.054
216 H ARG 28 H ARG 28 1.526 1.888 19.968
217 HA ARG 28 HA ARG 28 4.167 2.464 19.095
218 HB2 ARG 28 HB2 ARG 28 2.848 1.655 21.587
219 HB3 ARG 28 HB3 ARG 28 4.486 1.023 21.416
220 HG2 ARG 28 HG2 ARG 28 5.394 3.223 21.105
221 HG3 ARG 28 HG3 ARG 28 3.787 3.929 20.937
222 HD2 ARG 28 HD2 ARG 28 4.060 4.416 23.149
223 HD3 ARG 28 HD3 ARG 28 3.533 2.750 23.366
224 HE ARG 28 HE ARG 28 6.226 3.781 23.738
225 HH11 ARG 28 HH21 ARG 28 4.171 1.043 23.228
226 HH12 ARG 28 HH22 ARG 28 5.293 -0.096 23.894
227 HH21 ARG 28 HH11 ARG 28 7.700 2.293 24.614
228 HH22 ARG 28 HH12 ARG 28 7.290 0.611 24.679
229 H ASN 29 H ASN 29 5.969 0.783 19.657
230 HA ASN 29 HA ASN 29 6.903 -1.334 19.386
231 HB2 ASN 29 HB2 ASN 29 4.464 -2.121 19.956
232 HB3 ASN 29 HB3 ASN 29 4.359 -2.403 18.219
233 HD21 ASN 29 HD21 ASN 29 4.350 -4.527 20.225
234 HD22 ASN 29 HD22 ASN 29 5.743 -5.462 19.965
235 H LEU 30 H LEU 30 5.606 0.744 17.180
236 HA LEU 30 HA LEU 30 7.261 -0.342 15.046
237 HB2 LEU 30 HB2 LEU 30 4.317 -0.476 15.027
238 HB3 LEU 30 HB3 LEU 30 5.037 0.216 13.573
239 HG LEU 30 HG LEU 30 5.957 -2.391 14.807
240 HD11 LEU 30 HD11 LEU 30 3.687 -2.741 14.086
241 HD12 LEU 30 HD12 LEU 30 4.734 -3.411 12.835
242 HD13 LEU 30 HD13 LEU 30 3.964 -1.843 12.593
243 HD21 LEU 30 HD21 LEU 30 7.690 -1.913 13.409
244 HD22 LEU 30 HD22 LEU 30 6.766 -0.695 12.530
245 HD23 LEU 30 HD23 LEU 30 6.576 -2.403 12.133
246 H LYS 31 H LYS 31 7.429 1.174 13.210
247 HA LYS 31 HA LYS 31 7.490 3.917 14.197
248 HB2 LYS 31 HB2 LYS 31 9.414 2.799 12.959
249 HB3 LYS 31 HB3 LYS 31 8.424 2.919 11.504
250 HG2 LYS 31 HG2 LYS 31 8.902 5.108 11.271
251 HG3 LYS 31 HG3 LYS 31 8.460 5.440 12.946
252 HD2 LYS 31 HD2 LYS 31 10.645 4.884 13.735
253 HD3 LYS 31 HD3 LYS 31 11.097 4.170 12.187
254 HE2 LYS 31 HE2 LYS 31 10.209 6.987 12.049
255 HE3 LYS 31 HE3 LYS 31 11.720 6.723 12.918
256 HZ1 LYS 31 HZ1 LYS 31 11.441 5.270 10.427
257 HZ2 LYS 31 HZ2 LYS 31 12.784 6.093 11.063
258 HZ3 LYS 31 HZ3 LYS 31 11.554 6.955 10.269
259 H LEU 32 H LEU 32 4.888 3.072 13.882
260 HA LEU 32 HA LEU 32 2.908 3.461 12.754
261 HB2 LEU 32 HB2 LEU 32 4.330 6.049 12.089
262 HB3 LEU 32 HB3 LEU 32 2.587 5.791 12.170
263 HG LEU 32 HG LEU 32 4.033 4.970 14.601
264 HD11 LEU 32 HD11 LEU 32 3.876 7.902 13.831
265 HD12 LEU 32 HD12 LEU 32 5.362 6.961 13.958
266 HD13 LEU 32 HD13 LEU 32 4.390 7.272 15.397
267 HD21 LEU 32 HD21 LEU 32 2.140 6.107 15.653
268 HD22 LEU 32 HD22 LEU 32 1.552 5.092 14.336
269 HD23 LEU 32 HD23 LEU 32 1.689 6.836 14.111
270 H ILE 33 H ILE 33 3.799 1.745 11.183
271 HA ILE 33 HA ILE 33 3.698 2.904 8.476
272 HB ILE 33 HB ILE 33 5.756 1.023 9.593
273 HG12 ILE 33 HG12 ILE 33 6.280 3.429 9.406
274 HG13 ILE 33 HG13 ILE 33 7.262 2.485 8.287
275 HG21 ILE 33 HG21 ILE 33 6.353 0.602 7.135
276 HG22 ILE 33 HG22 ILE 33 4.729 1.177 6.756
277 HG23 ILE 33 HG23 ILE 33 4.945 -0.257 7.760
278 HD11 ILE 33 HD11 ILE 33 5.091 3.008 6.723
279 HD12 ILE 33 HD12 ILE 33 6.537 4.016 6.758
280 HD13 ILE 33 HD13 ILE 33 5.130 4.460 7.723
281 H LEU 34 H LEU 34 1.706 2.218 7.909
282 HA LEU 34 HA LEU 34 1.115 -0.665 8.214
283 HB2 LEU 34 HB2 LEU 34 -0.543 1.778 8.521
284 HB3 LEU 34 HB3 LEU 34 -1.313 0.398 7.738
285 HG LEU 34 HG LEU 34 0.260 -0.215 10.179
286 HD11 LEU 34 HD11 LEU 34 -2.460 1.102 10.387
287 HD12 LEU 34 HD12 LEU 34 -0.947 1.955 10.689
288 HD13 LEU 34 HD13 LEU 34 -1.410 0.595 11.711
289 HD21 LEU 34 HD21 LEU 34 -1.163 -1.801 8.746
290 HD22 LEU 34 HD22 LEU 34 -2.568 -0.977 9.421
291 HD23 LEU 34 HD23 LEU 34 -1.459 -1.842 10.484
292 H GLN 35 H GLN 35 2.532 -0.629 6.164
293 HA GLN 35 HA GLN 35 1.261 0.338 3.756
294 HB2 GLN 35 HB2 GLN 35 3.806 0.019 4.248
295 HB3 GLN 35 HB3 GLN 35 3.504 -1.654 3.780
296 HG2 GLN 35 HG2 GLN 35 2.983 0.823 2.118
297 HG3 GLN 35 HG3 GLN 35 4.177 -0.434 1.802
298 HE21 GLN 35 HE21 GLN 35 1.424 0.566 0.494
299 HE22 GLN 35 HE22 GLN 35 0.683 -0.909 0.099
300 H GLY 36 H GLY 36 -0.056 -0.745 2.423
301 HA2 GLY 36 HA2 GLY 36 -0.124 -3.613 2.251
302 HA3 GLY 36 HA3 GLY 36 -1.515 -2.961 3.114
303 H CYS 37 H CYS 37 -1.845 -4.344 0.733
304 HA CYS 37 HA CYS 37 -2.380 -2.233 -1.259
305 HB2 CYS 37 HB2 CYS 37 -2.808 -4.992 -2.115
306 HB3 CYS 37 HB3 CYS 37 -1.850 -3.716 -2.866
307 H SER 38 H SER 38 -4.389 -2.469 -2.525
308 HA SER 38 HA SER 38 -6.568 -3.987 -1.395
309 HB2 SER 38 HB2 SER 38 -6.116 -1.688 -0.057
310 HB3 SER 38 HB3 SER 38 -7.156 -1.083 -1.343
311 HG SER 38 HG SER 38 -7.742 -3.374 0.225
312 H SER 39 H SER 39 -8.534 -3.778 -2.636
313 HA SER 39 HA SER 39 -8.050 -3.460 -5.428
314 HB2 SER 39 HB2 SER 39 -9.700 -5.039 -4.966
315 HB3 SER 39 HB3 SER 39 -10.463 -4.033 -3.739
316 HG SER 39 HG SER 39 -11.513 -4.206 -5.892
317 H SER 40 H SER 40 -9.786 -1.546 -3.001
318 HA SER 40 HA SER 40 -9.719 0.740 -4.872
319 HB2 SER 40 HB2 SER 40 -11.991 0.365 -4.908
320 HB3 SER 40 HB3 SER 40 -12.002 -0.379 -3.311
321 HG SER 40 HG SER 40 -11.708 1.685 -2.419
322 H CYS 41 H CYS 41 -7.896 1.623 -3.899
323 HA CYS 41 HA CYS 41 -7.673 1.973 -1.062
324 HB2 CYS 41 HB2 CYS 41 -5.694 1.818 -2.531
325 HB3 CYS 41 HB3 CYS 41 -6.160 3.331 -3.307
326 H SER 42 H SER 42 -7.562 4.047 0.023
327 HA SER 42 HA SER 42 -9.390 6.043 -1.172
328 HB2 SER 42 HB2 SER 42 -10.445 4.960 0.732
329 HB3 SER 42 HB3 SER 42 -9.028 5.262 1.732
330 HG SER 42 HG SER 42 -10.278 6.954 2.194
331 H GLU 43 H GLU 43 -7.555 7.123 -2.104
332 HA GLU 43 HA GLU 43 -5.260 7.964 -0.828
333 HB2 GLU 43 HB2 GLU 43 -5.787 8.278 -3.251
334 HB3 GLU 43 HB3 GLU 43 -6.856 9.609 -2.803
335 HG2 GLU 43 HG2 GLU 43 -5.069 10.914 -1.971
336 HG3 GLU 43 HG3 GLU 43 -3.977 9.532 -1.907
337 H THR 44 H THR 44 -5.114 8.913 1.094
338 HA THR 44 HA THR 44 -6.761 11.305 1.600
339 HB THR 44 HB THR 44 -6.214 9.826 4.039
340 HG1 THR 44 HG1 THR 44 -6.653 7.930 3.270
341 HG21 THR 44 HG21 THR 44 -8.535 10.298 4.453
342 HG22 THR 44 HG22 THR 44 -8.846 10.555 2.736
343 HG23 THR 44 HG23 THR 44 -7.859 11.707 3.636
344 H GLU 45 H GLU 45 -5.792 11.957 4.077
345 HA GLU 45 HA GLU 45 -3.152 12.931 3.413
346 HB2 GLU 45 HB2 GLU 45 -4.514 13.213 6.090
347 HB3 GLU 45 HB3 GLU 45 -3.353 14.301 5.329
348 HG2 GLU 45 HG2 GLU 45 -6.272 13.940 4.750
349 HG3 GLU 45 HG3 GLU 45 -5.344 15.428 4.919
350 H ASN 46 H ASN 46 -4.567 10.660 5.731
351 HA ASN 46 HA ASN 46 -1.913 9.960 6.746
352 HB2 ASN 46 HB2 ASN 46 -4.375 10.132 7.960
353 HB3 ASN 46 HB3 ASN 46 -4.207 8.398 7.692
354 HD21 ASN 46 HD21 ASN 46 -4.128 9.423 10.334
355 HD22 ASN 46 HD22 ASN 46 -2.551 9.256 10.941
356 H ASN 47 H ASN 47 -4.476 8.720 4.718
357 HA ASN 47 HA ASN 47 -2.872 6.282 4.240
358 HB2 ASN 47 HB2 ASN 47 -4.869 5.474 5.139
359 HB3 ASN 47 HB3 ASN 47 -5.838 6.721 4.357
360 HD21 ASN 47 HD21 ASN 47 -6.590 6.317 2.211
361 HD22 ASN 47 HD22 ASN 47 -6.285 4.866 1.385
362 H LYS 48 H LYS 48 -1.672 6.931 2.504
363 HA LYS 48 HA LYS 48 -2.906 8.342 0.287
364 HB2 LYS 48 HB2 LYS 48 -0.120 7.189 0.574
365 HB3 LYS 48 HB3 LYS 48 -0.664 8.269 -0.712
366 HG2 LYS 48 HG2 LYS 48 -0.142 10.021 0.606
367 HG3 LYS 48 HG3 LYS 48 -1.412 9.510 1.716
368 HD2 LYS 48 HD2 LYS 48 0.279 7.892 2.718
369 HD3 LYS 48 HD3 LYS 48 1.511 8.734 1.777
370 HE2 LYS 48 HE2 LYS 48 1.402 10.625 3.070
371 HE3 LYS 48 HE3 LYS 48 -0.324 10.439 3.379
372 HZ1 LYS 48 HZ1 LYS 48 1.952 9.163 4.737
373 HZ2 LYS 48 HZ2 LYS 48 0.443 8.382 4.715
374 HZ3 LYS 48 HZ3 LYS 48 0.593 9.926 5.408
375 H CYS 49 H CYS 49 -2.233 7.422 -1.988
376 HA CYS 49 HA CYS 49 -2.665 4.510 -2.092
377 HB2 CYS 49 HB2 CYS 49 -4.288 6.521 -3.671
378 HB3 CYS 49 HB3 CYS 49 -4.417 4.766 -3.774
379 H CYS 50 H CYS 50 -1.539 3.516 -3.656
380 HA CYS 50 HA CYS 50 -0.105 5.214 -5.609
381 HB2 CYS 50 HB2 CYS 50 0.743 2.939 -3.928
382 HB3 CYS 50 HB3 CYS 50 1.280 2.868 -5.606
383 H SER 51 H SER 51 0.624 3.703 -7.558
384 HA SER 51 HA SER 51 -1.426 1.770 -8.299
385 HB2 SER 51 HB2 SER 51 -2.514 3.801 -9.008
386 HB3 SER 51 HB3 SER 51 -1.042 4.376 -9.783
387 HG SER 51 HG SER 51 -1.728 1.897 -10.635
388 H THR 52 H THR 52 1.492 1.812 -7.851
389 HA THR 52 HA THR 52 2.255 0.582 -10.404
390 HB THR 52 HB THR 52 4.071 2.535 -8.978
391 HG1 THR 52 HG1 THR 52 1.975 3.086 -10.414
392 HG21 THR 52 HG21 THR 52 4.530 0.516 -10.892
393 HG22 THR 52 HG22 THR 52 5.646 1.788 -10.396
394 HG23 THR 52 HG23 THR 52 4.580 2.040 -11.778
395 H ASP 53 H ASP 53 3.967 -0.955 -10.211
396 HA ASP 53 HA ASP 53 3.946 -2.397 -7.752
397 HB2 ASP 53 HB2 ASP 53 6.092 -3.407 -9.122
398 HB3 ASP 53 HB3 ASP 53 4.422 -3.927 -9.346
399 H ARG 54 H ARG 54 5.232 -2.223 -6.022
400 HA ARG 54 HA ARG 54 7.003 -1.627 -4.676
401 HB2 ARG 54 HB2 ARG 54 8.201 -2.209 -7.092
402 HB3 ARG 54 HB3 ARG 54 8.746 -0.560 -6.779
403 HG2 ARG 54 HG2 ARG 54 9.667 -1.171 -4.655
404 HG3 ARG 54 HG3 ARG 54 8.881 -2.749 -4.693
405 HD2 ARG 54 HD2 ARG 54 11.418 -2.552 -5.338
406 HD3 ARG 54 HD3 ARG 54 10.360 -3.602 -6.274
407 HE ARG 54 HE ARG 54 11.382 -0.972 -7.123
408 HH11 ARG 54 HH21 ARG 54 9.586 -3.873 -7.731
409 HH12 ARG 54 HH22 ARG 54 9.550 -3.650 -9.447
410 HH21 ARG 54 HH11 ARG 54 11.335 -0.680 -9.370
411 HH22 ARG 54 HH12 ARG 54 10.539 -1.845 -10.375
412 H CYS 55 H CYS 55 4.883 0.203 -5.532
413 HA CYS 55 HA CYS 55 6.036 2.818 -5.874
414 HB2 CYS 55 HB2 CYS 55 3.723 2.117 -6.637
415 HB3 CYS 55 HB3 CYS 55 3.239 2.155 -4.942
416 H ASN 56 H ASN 56 4.860 0.876 -3.194
417 HA ASN 56 HA ASN 56 5.264 3.060 -1.294
418 HB2 ASN 56 HB2 ASN 56 4.467 1.303 0.357
419 HB3 ASN 56 HB3 ASN 56 3.303 1.761 -0.886
420 HD21 ASN 56 HD21 ASN 56 5.805 -0.073 -2.271
421 HD22 ASN 56 HD22 ASN 56 5.029 -1.583 -2.265
422 H LYS 57 H LYS 57 7.643 2.774 -2.236
423 HA LYS 57 HA LYS 57 9.452 0.886 -1.750
424 HB2 LYS 57 HB2 LYS 57 10.985 2.758 -0.816
425 HB3 LYS 57 HB3 LYS 57 10.336 2.945 -2.445
426 HG2 LYS 57 HG2 LYS 57 9.023 4.708 -1.856
427 HG3 LYS 57 HG3 LYS 57 8.593 3.990 -0.303
428 HD2 LYS 57 HD2 LYS 57 10.788 4.612 0.612
429 HD3 LYS 57 HD3 LYS 57 11.250 5.304 -0.943
430 HE2 LYS 57 HE2 LYS 57 9.039 6.704 -0.648
431 HE3 LYS 57 HE3 LYS 57 9.254 6.313 1.058
432 HZ1 LYS 57 HZ1 LYS 57 11.658 7.188 -0.271
433 HZ2 LYS 57 HZ2 LYS 57 11.009 7.660 1.227
434 HZ3 LYS 57 HZ3 LYS 57 10.441 8.368 -0.209
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 3.526 -4.595 -11.772
2 H2 LEU 1 H2 LEU 1 4.487 -5.454 -10.665
3 H3 LEU 1 H3 LEU 1 3.936 -3.893 -10.283
4 HA LEU 1 HA LEU 1 1.735 -4.587 -10.018
5 HB2 LEU 1 HB2 LEU 1 2.417 -6.405 -12.031
6 HB3 LEU 1 HB3 LEU 1 2.048 -7.417 -10.636
7 HG LEU 1 HG LEU 1 0.271 -5.262 -11.814
8 HD11 LEU 1 HD11 LEU 1 -1.205 -7.507 -11.836
9 HD12 LEU 1 HD12 LEU 1 0.394 -8.237 -11.973
10 HD13 LEU 1 HD13 LEU 1 -0.146 -7.069 -13.177
11 HD21 LEU 1 HD21 LEU 1 0.275 -6.706 -9.212
12 HD22 LEU 1 HD22 LEU 1 -1.283 -6.570 -10.027
13 HD23 LEU 1 HD23 LEU 1 -0.373 -5.117 -9.615
14 H LYS 2 H LYS 2 3.677 -4.246 -8.224
15 HA LYS 2 HA LYS 2 3.044 -6.195 -6.196
16 HB2 LYS 2 HB2 LYS 2 5.305 -6.932 -5.743
17 HB3 LYS 2 HB3 LYS 2 4.921 -7.297 -7.425
18 HG2 LYS 2 HG2 LYS 2 5.968 -4.653 -7.364
19 HG3 LYS 2 HG3 LYS 2 7.045 -5.660 -6.395
20 HD2 LYS 2 HD2 LYS 2 7.450 -7.153 -8.198
21 HD3 LYS 2 HD3 LYS 2 6.086 -6.528 -9.125
22 HE2 LYS 2 HE2 LYS 2 7.405 -4.252 -8.975
23 HE3 LYS 2 HE3 LYS 2 8.789 -5.302 -8.677
24 HZ1 LYS 2 HZ1 LYS 2 7.042 -5.186 -11.054
25 HZ2 LYS 2 HZ2 LYS 2 7.970 -6.568 -10.715
26 HZ3 LYS 2 HZ3 LYS 2 8.732 -5.073 -10.973
27 H CYS 3 H CYS 3 3.851 -5.551 -4.084
28 HA CYS 3 HA CYS 3 5.128 -2.965 -3.817
29 HB2 CYS 3 HB2 CYS 3 2.257 -3.345 -2.937
30 HB3 CYS 3 HB3 CYS 3 3.265 -1.947 -2.559
31 H TYR 4 H TYR 4 4.321 -2.432 -1.190
32 HA TYR 4 HA TYR 4 5.670 -4.633 0.204
33 HB2 TYR 4 HB2 TYR 4 5.241 -1.722 0.828
34 HB3 TYR 4 HB3 TYR 4 5.756 -2.861 2.074
35 HD1 TYR 4 HD1 TYR 4 7.741 -4.457 1.386
36 HD2 TYR 4 HD2 TYR 4 6.874 -0.699 -0.500
37 HE1 TYR 4 HE1 TYR 4 10.063 -4.353 0.529
38 HE2 TYR 4 HE2 TYR 4 9.199 -0.590 -1.355
39 HH TYR 4 HH TYR 4 11.319 -3.284 -1.252
40 H GLN 5 H GLN 5 4.012 -6.087 0.490
41 HA GLN 5 HA GLN 5 1.512 -5.263 1.724
42 HB2 GLN 5 HB2 GLN 5 1.832 -7.146 -0.022
43 HB3 GLN 5 HB3 GLN 5 2.402 -8.112 1.339
44 HG2 GLN 5 HG2 GLN 5 0.259 -7.450 2.546
45 HG3 GLN 5 HG3 GLN 5 -0.308 -6.811 1.005
46 HE21 GLN 5 HE21 GLN 5 -1.365 -8.293 -0.324
47 HE22 GLN 5 HE22 GLN 5 -1.251 -9.980 -0.176
48 H HIS 6 H HIS 6 4.379 -7.161 2.607
49 HA HIS 6 HA HIS 6 3.609 -6.846 5.445
50 HB2 HIS 6 HB2 HIS 6 4.672 -9.274 4.011
51 HB3 HIS 6 HB3 HIS 6 4.876 -9.070 5.751
52 HD1 HIS 6 HD1 HIS 6 1.850 -8.199 3.604
53 HD2 HIS 6 HD2 HIS 6 2.879 -10.695 6.781
54 HE1 HIS 6 HE1 HIS 6 -0.297 -9.301 4.377
55 H GLY 7 H GLY 7 5.157 -4.953 4.256
56 HA2 GLY 7 HA2 GLY 7 7.097 -3.793 4.767
57 HA3 GLY 7 HA3 GLY 7 7.613 -5.161 5.752
58 H LYS 8 H LYS 8 6.887 -6.770 3.157
59 HA LYS 8 HA LYS 8 9.480 -6.296 1.809
60 HB2 LYS 8 HB2 LYS 8 8.237 -8.969 1.575
61 HB3 LYS 8 HB3 LYS 8 9.929 -8.524 1.811
62 HG2 LYS 8 HG2 LYS 8 9.284 -7.854 4.187
63 HG3 LYS 8 HG3 LYS 8 7.742 -8.659 3.895
64 HD2 LYS 8 HD2 LYS 8 9.799 -10.427 3.021
65 HD3 LYS 8 HD3 LYS 8 10.254 -9.840 4.622
66 HE2 LYS 8 HE2 LYS 8 8.232 -10.614 5.599
67 HE3 LYS 8 HE3 LYS 8 7.467 -10.842 4.026
68 HZ1 LYS 8 HZ1 LYS 8 9.156 -12.563 3.560
69 HZ2 LYS 8 HZ2 LYS 8 8.143 -12.955 4.867
70 HZ3 LYS 8 HZ3 LYS 8 9.725 -12.405 5.150
71 H VAL 9 H VAL 9 9.531 -6.929 -0.478
72 HA VAL 9 HA VAL 9 7.262 -5.883 -1.881
73 HB VAL 9 HB VAL 9 9.673 -7.319 -3.014
74 HG11 VAL 9 HG11 VAL 9 7.923 -5.188 -4.264
75 HG12 VAL 9 HG12 VAL 9 7.621 -6.913 -4.476
76 HG13 VAL 9 HG13 VAL 9 9.125 -6.202 -5.061
77 HG21 VAL 9 HG21 VAL 9 9.308 -4.335 -2.673
78 HG22 VAL 9 HG22 VAL 9 10.780 -5.207 -3.099
79 HG23 VAL 9 HG23 VAL 9 10.128 -5.322 -1.464
80 H VAL 10 H VAL 10 5.448 -7.081 -1.896
81 HA VAL 10 HA VAL 10 5.673 -9.857 -2.889
82 HB VAL 10 HB VAL 10 3.300 -9.582 -1.333
83 HG11 VAL 10 HG11 VAL 10 4.500 -11.677 -1.761
84 HG12 VAL 10 HG12 VAL 10 4.376 -11.398 -0.024
85 HG13 VAL 10 HG13 VAL 10 5.895 -11.080 -0.862
86 HG21 VAL 10 HG21 VAL 10 5.846 -8.688 0.054
87 HG22 VAL 10 HG22 VAL 10 4.362 -9.145 0.889
88 HG23 VAL 10 HG23 VAL 10 4.381 -7.732 -0.165
89 H THR 11 H THR 11 3.863 -10.608 -4.116
90 HA THR 11 HA THR 11 2.665 -8.500 -5.718
91 HB THR 11 HB THR 11 2.723 -11.508 -5.904
92 HG1 THR 11 HG1 THR 11 3.620 -10.783 -7.997
93 HG21 THR 11 HG21 THR 11 1.556 -10.777 -8.224
94 HG22 THR 11 HG22 THR 11 0.853 -9.565 -7.153
95 HG23 THR 11 HG23 THR 11 0.632 -11.280 -6.809
96 H CYS 12 H CYS 12 1.025 -7.495 -4.662
97 HA CYS 12 HA CYS 12 -0.739 -8.546 -2.807
98 HB2 CYS 12 HB2 CYS 12 -1.361 -6.436 -4.889
99 HB3 CYS 12 HB3 CYS 12 -2.230 -6.693 -3.375
100 H HIS 13 H HIS 13 -2.842 -9.393 -2.920
101 HA HIS 13 HA HIS 13 -3.350 -11.460 -4.614
102 HB2 HIS 13 HB2 HIS 13 -4.747 -10.223 -2.586
103 HB3 HIS 13 HB3 HIS 13 -5.806 -9.997 -3.977
104 HD1 HIS 13 HD1 HIS 13 -6.424 -12.004 -1.606
105 HD2 HIS 13 HD2 HIS 13 -4.746 -13.056 -5.275
106 HE1 HIS 13 HE1 HIS 13 -6.899 -14.471 -1.930
107 H ARG 14 H ARG 14 -5.035 -11.706 -6.302
108 HA ARG 14 HA ARG 14 -4.505 -9.974 -8.498
109 HB2 ARG 14 HB2 ARG 14 -5.034 -12.367 -8.779
110 HB3 ARG 14 HB3 ARG 14 -6.666 -12.072 -8.176
111 HG2 ARG 14 HG2 ARG 14 -7.118 -10.557 -10.040
112 HG3 ARG 14 HG3 ARG 14 -5.463 -10.745 -10.624
113 HD2 ARG 14 HD2 ARG 14 -5.893 -13.204 -10.865
114 HD3 ARG 14 HD3 ARG 14 -7.577 -12.907 -10.443
115 HE ARG 14 HE ARG 14 -7.891 -11.898 -12.544
116 HH11 ARG 14 HH21 ARG 14 -4.584 -12.698 -11.919
117 HH12 ARG 14 HH22 ARG 14 -4.075 -12.468 -13.559
118 HH21 ARG 14 HH11 ARG 14 -7.232 -11.595 -14.697
119 HH22 ARG 14 HH12 ARG 14 -5.573 -11.840 -15.130
120 H ASP 15 H ASP 15 -6.749 -9.849 -5.923
121 HA ASP 15 HA ASP 15 -8.775 -8.325 -7.309
122 HB2 ASP 15 HB2 ASP 15 -8.295 -9.182 -4.481
123 HB3 ASP 15 HB3 ASP 15 -9.436 -7.878 -4.800
124 H MET 16 H MET 16 -6.114 -7.637 -5.069
125 HA MET 16 HA MET 16 -6.637 -4.850 -4.840
126 HB2 MET 16 HB2 MET 16 -4.240 -6.587 -4.279
127 HB3 MET 16 HB3 MET 16 -4.182 -4.837 -4.077
128 HG2 MET 16 HG2 MET 16 -5.523 -4.874 -2.231
129 HG3 MET 16 HG3 MET 16 -6.531 -6.173 -2.868
130 HE1 MET 16 HE1 MET 16 -5.184 -7.030 0.616
131 HE2 MET 16 HE2 MET 16 -6.371 -7.916 -0.340
132 HE3 MET 16 HE3 MET 16 -6.381 -6.154 -0.348
133 H LYS 17 H LYS 17 -6.251 -3.268 -6.250
134 HA LYS 17 HA LYS 17 -4.288 -3.755 -8.410
135 HB2 LYS 17 HB2 LYS 17 -7.065 -2.656 -8.490
136 HB3 LYS 17 HB3 LYS 17 -5.871 -1.992 -9.606
137 HG2 LYS 17 HG2 LYS 17 -5.319 -4.384 -10.262
138 HG3 LYS 17 HG3 LYS 17 -6.742 -4.879 -9.344
139 HD2 LYS 17 HD2 LYS 17 -8.059 -3.191 -10.743
140 HD3 LYS 17 HD3 LYS 17 -6.637 -3.093 -11.782
141 HE2 LYS 17 HE2 LYS 17 -6.830 -5.737 -11.738
142 HE3 LYS 17 HE3 LYS 17 -8.513 -5.387 -11.347
143 HZ1 LYS 17 HZ1 LYS 17 -8.680 -4.033 -13.315
144 HZ2 LYS 17 HZ2 LYS 17 -8.130 -5.583 -13.742
145 HZ3 LYS 17 HZ3 LYS 17 -7.042 -4.280 -13.676
146 H PHE 18 H PHE 18 -4.584 -2.197 -5.648
147 HA PHE 18 HA PHE 18 -2.923 0.042 -6.528
148 HB2 PHE 18 HB2 PHE 18 -5.349 0.517 -4.793
149 HB3 PHE 18 HB3 PHE 18 -4.245 1.725 -5.453
150 HD1 PHE 18 HD1 PHE 18 -4.057 1.917 -8.009
151 HD2 PHE 18 HD2 PHE 18 -7.228 -0.197 -6.029
152 HE1 PHE 18 HE1 PHE 18 -5.432 2.050 -10.070
153 HE2 PHE 18 HE2 PHE 18 -8.603 -0.065 -8.089
154 HZ PHE 18 HZ PHE 18 -7.704 1.059 -10.110
155 H CYS 19 H CYS 19 -1.358 0.516 -5.113
156 HA CYS 19 HA CYS 19 -1.327 -0.962 -2.573
157 HB2 CYS 19 HB2 CYS 19 0.953 0.563 -3.840
158 HB3 CYS 19 HB3 CYS 19 1.044 -0.668 -2.580
159 H TYR 20 H TYR 20 -1.181 0.098 -0.603
160 HA TYR 20 HA TYR 20 -1.257 3.041 -0.754
161 HB2 TYR 20 HB2 TYR 20 -2.939 3.116 0.959
162 HB3 TYR 20 HB3 TYR 20 -3.498 2.009 -0.292
163 HD1 TYR 20 HD1 TYR 20 -1.816 2.168 3.028
164 HD2 TYR 20 HD2 TYR 20 -3.944 -0.271 0.203
165 HE1 TYR 20 HE1 TYR 20 -1.999 0.368 4.721
166 HE2 TYR 20 HE2 TYR 20 -4.125 -2.075 1.898
167 HH TYR 20 HH TYR 20 -3.995 -2.445 4.207
168 H HIS 21 H HIS 21 -0.346 4.200 0.912
169 HA HIS 21 HA HIS 21 1.473 2.673 2.677
170 HB2 HIS 21 HB2 HIS 21 2.669 4.056 1.043
171 HB3 HIS 21 HB3 HIS 21 1.760 5.475 1.559
172 HD1 HIS 21 HD1 HIS 21 2.057 4.095 4.649
173 HD2 HIS 21 HD2 HIS 21 4.978 5.611 2.090
174 HE1 HIS 21 HE1 HIS 21 4.045 4.686 6.102
175 H ASN 22 H ASN 22 0.140 2.486 4.464
176 HA ASN 22 HA ASN 22 -1.219 4.842 5.494
177 HB2 ASN 22 HB2 ASN 22 -2.409 2.735 5.600
178 HB3 ASN 22 HB3 ASN 22 -1.085 1.994 6.498
179 HD21 ASN 22 HD21 ASN 22 -0.520 3.295 8.632
180 HD22 ASN 22 HD22 ASN 22 -1.854 3.845 9.526
181 H THR 23 H THR 23 -0.625 6.040 7.194
182 HA THR 23 HA THR 23 1.910 5.330 8.536
183 HB THR 23 HB THR 23 2.513 7.522 8.492
184 HG1 THR 23 HG1 THR 23 0.515 7.891 9.841
185 HG21 THR 23 HG21 THR 23 1.920 7.040 6.154
186 HG22 THR 23 HG22 THR 23 1.601 8.731 6.540
187 HG23 THR 23 HG23 THR 23 0.268 7.579 6.456
188 H GLY 24 H GLY 24 -1.461 5.918 8.938
189 HA2 GLY 24 HA2 GLY 24 -2.849 5.812 10.768
190 HA3 GLY 24 HA3 GLY 24 -1.560 4.914 11.561
191 H MET 25 H MET 25 -2.258 6.031 13.512
192 HA MET 25 HA MET 25 -1.982 8.876 13.750
193 HB2 MET 25 HB2 MET 25 -2.371 6.613 15.692
194 HB3 MET 25 HB3 MET 25 -2.034 8.246 16.267
195 HG2 MET 25 HG2 MET 25 -3.997 9.121 15.209
196 HG3 MET 25 HG3 MET 25 -4.248 7.632 14.298
197 HE1 MET 25 HE1 MET 25 -6.032 6.231 14.818
198 HE2 MET 25 HE2 MET 25 -6.217 5.392 16.355
199 HE3 MET 25 HE3 MET 25 -4.697 5.275 15.472
200 HA PRO 26 HA PRO 26 2.271 9.696 14.400
201 HB2 PRO 26 HB2 PRO 26 1.479 10.497 17.178
202 HB3 PRO 26 HB3 PRO 26 2.481 11.365 16.000
203 HG2 PRO 26 HG2 PRO 26 -0.085 12.009 16.461
204 HG3 PRO 26 HG3 PRO 26 0.679 12.196 14.874
205 HD2 PRO 26 HD2 PRO 26 -1.388 10.270 15.719
206 HD3 PRO 26 HD3 PRO 26 -0.914 10.765 14.081
207 H PHE 27 H PHE 27 4.132 9.107 15.859
208 HA PHE 27 HA PHE 27 4.588 6.532 16.289
209 HB2 PHE 27 HB2 PHE 27 6.073 8.528 16.942
210 HB3 PHE 27 HB3 PHE 27 5.291 8.434 18.519
211 HD1 PHE 27 HD1 PHE 27 7.167 6.392 16.013
212 HD2 PHE 27 HD2 PHE 27 5.996 6.848 20.121
213 HE1 PHE 27 HE1 PHE 27 8.677 4.531 16.650
214 HE2 PHE 27 HE2 PHE 27 7.506 4.986 20.758
215 HZ PHE 27 HZ PHE 27 8.848 3.828 19.022
216 H ARG 28 H ARG 28 3.317 4.977 17.069
217 HA ARG 28 HA ARG 28 2.088 5.383 19.721
218 HB2 ARG 28 HB2 ARG 28 0.691 5.143 17.252
219 HB3 ARG 28 HB3 ARG 28 0.430 3.651 18.157
220 HG2 ARG 28 HG2 ARG 28 -0.425 4.839 20.051
221 HG3 ARG 28 HG3 ARG 28 0.115 6.390 19.405
222 HD2 ARG 28 HD2 ARG 28 -2.394 5.764 19.153
223 HD3 ARG 28 HD3 ARG 28 -1.555 6.430 17.755
224 HE ARG 28 HE ARG 28 -1.791 4.373 16.697
225 HH11 ARG 28 HH21 ARG 28 -2.396 4.116 20.093
226 HH12 ARG 28 HH22 ARG 28 -2.973 2.485 20.008
227 HH21 ARG 28 HH11 ARG 28 -2.549 2.232 16.576
228 HH22 ARG 28 HH12 ARG 28 -3.060 1.418 18.018
229 H ASN 29 H ASN 29 3.487 3.235 17.337
230 HA ASN 29 HA ASN 29 3.987 1.281 19.471
231 HB2 ASN 29 HB2 ASN 29 3.504 -0.421 17.430
232 HB3 ASN 29 HB3 ASN 29 2.289 0.032 18.623
233 HD21 ASN 29 HD21 ASN 29 3.056 0.106 15.266
234 HD22 ASN 29 HD22 ASN 29 1.779 1.109 14.774
235 H LEU 30 H LEU 30 4.437 0.458 16.137
236 HA LEU 30 HA LEU 30 7.333 0.456 16.543
237 HB2 LEU 30 HB2 LEU 30 5.735 -0.590 14.197
238 HB3 LEU 30 HB3 LEU 30 7.429 -0.922 14.556
239 HG LEU 30 HG LEU 30 5.462 -1.525 16.707
240 HD11 LEU 30 HD11 LEU 30 4.277 -2.405 14.771
241 HD12 LEU 30 HD12 LEU 30 4.995 -3.752 15.655
242 HD13 LEU 30 HD13 LEU 30 5.751 -3.168 14.172
243 HD21 LEU 30 HD21 LEU 30 7.094 -3.007 17.381
244 HD22 LEU 30 HD22 LEU 30 8.112 -1.901 16.457
245 HD23 LEU 30 HD23 LEU 30 7.559 -3.409 15.727
246 H LYS 31 H LYS 31 7.866 0.576 13.673
247 HA LYS 31 HA LYS 31 8.236 3.416 13.450
248 HB2 LYS 31 HB2 LYS 31 8.880 1.062 11.684
249 HB3 LYS 31 HB3 LYS 31 9.121 2.718 11.129
250 HG2 LYS 31 HG2 LYS 31 11.205 2.196 12.068
251 HG3 LYS 31 HG3 LYS 31 10.391 3.028 13.394
252 HD2 LYS 31 HD2 LYS 31 9.562 0.452 13.795
253 HD3 LYS 31 HD3 LYS 31 11.185 0.196 13.154
254 HE2 LYS 31 HE2 LYS 31 11.768 2.157 14.871
255 HE3 LYS 31 HE3 LYS 31 10.336 1.530 15.687
256 HZ1 LYS 31 HZ1 LYS 31 11.698 0.006 16.531
257 HZ2 LYS 31 HZ2 LYS 31 12.947 0.377 15.439
258 HZ3 LYS 31 HZ3 LYS 31 11.716 -0.705 14.990
259 H LEU 32 H LEU 32 5.451 2.446 13.510
260 HA LEU 32 HA LEU 32 3.459 2.649 12.346
261 HB2 LEU 32 HB2 LEU 32 4.936 5.112 11.390
262 HB3 LEU 32 HB3 LEU 32 3.191 4.874 11.319
263 HG LEU 32 HG LEU 32 4.753 4.705 13.904
264 HD11 LEU 32 HD11 LEU 32 4.834 6.953 14.044
265 HD12 LEU 32 HD12 LEU 32 3.131 7.091 13.606
266 HD13 LEU 32 HD13 LEU 32 4.362 7.016 12.346
267 HD21 LEU 32 HD21 LEU 32 2.228 5.506 14.513
268 HD22 LEU 32 HD22 LEU 32 2.714 3.812 14.447
269 HD23 LEU 32 HD23 LEU 32 1.908 4.553 13.064
270 H ILE 33 H ILE 33 4.170 0.724 11.021
271 HA ILE 33 HA ILE 33 4.340 1.515 8.176
272 HB ILE 33 HB ILE 33 5.752 -0.754 9.588
273 HG12 ILE 33 HG12 ILE 33 6.650 1.718 9.340
274 HG13 ILE 33 HG13 ILE 33 7.725 0.357 9.017
275 HG21 ILE 33 HG21 ILE 33 6.574 -1.200 7.169
276 HG22 ILE 33 HG22 ILE 33 5.151 -0.287 6.668
277 HG23 ILE 33 HG23 ILE 33 4.963 -1.769 7.604
278 HD11 ILE 33 HD11 ILE 33 7.548 2.311 7.265
279 HD12 ILE 33 HD12 ILE 33 6.067 1.484 6.782
280 HD13 ILE 33 HD13 ILE 33 7.614 0.641 6.705
281 H LEU 34 H LEU 34 2.072 1.356 7.986
282 HA LEU 34 HA LEU 34 0.971 -1.369 8.292
283 HB2 LEU 34 HB2 LEU 34 -0.258 1.362 8.503
284 HB3 LEU 34 HB3 LEU 34 -1.260 -0.028 8.087
285 HG LEU 34 HG LEU 34 0.608 -0.237 10.423
286 HD11 LEU 34 HD11 LEU 34 -1.813 0.495 11.540
287 HD12 LEU 34 HD12 LEU 34 -1.663 1.608 10.180
288 HD13 LEU 34 HD13 LEU 34 -0.398 1.541 11.406
289 HD21 LEU 34 HD21 LEU 34 -1.219 -1.923 9.218
290 HD22 LEU 34 HD22 LEU 34 -2.147 -1.255 10.561
291 HD23 LEU 34 HD23 LEU 34 -0.626 -2.091 10.871
292 H GLN 35 H GLN 35 2.533 -0.083 6.035
293 HA GLN 35 HA GLN 35 0.945 0.502 3.833
294 HB2 GLN 35 HB2 GLN 35 2.862 -0.265 2.465
295 HB3 GLN 35 HB3 GLN 35 3.369 0.771 3.799
296 HG2 GLN 35 HG2 GLN 35 3.717 -1.403 5.129
297 HG3 GLN 35 HG3 GLN 35 3.595 -2.232 3.578
298 HE21 GLN 35 HE21 GLN 35 6.033 -2.320 5.026
299 HE22 GLN 35 HE22 GLN 35 7.198 -1.408 4.194
300 H GLY 36 H GLY 36 -0.265 -0.639 2.447
301 HA2 GLY 36 HA2 GLY 36 0.004 -3.483 2.084
302 HA3 GLY 36 HA3 GLY 36 -1.437 -3.044 2.999
303 H CYS 37 H CYS 37 -2.086 -4.255 0.782
304 HA CYS 37 HA CYS 37 -2.550 -2.172 -1.255
305 HB2 CYS 37 HB2 CYS 37 -3.280 -4.862 -2.062
306 HB3 CYS 37 HB3 CYS 37 -2.181 -3.719 -2.833
307 H SER 38 H SER 38 -4.629 -2.179 -2.347
308 HA SER 38 HA SER 38 -6.867 -3.512 -1.103
309 HB2 SER 38 HB2 SER 38 -6.389 -1.581 0.444
310 HB3 SER 38 HB3 SER 38 -6.742 -0.497 -0.899
311 HG SER 38 HG SER 38 -8.430 -1.853 0.724
312 H SER 39 H SER 39 -8.757 -3.375 -2.338
313 HA SER 39 HA SER 39 -8.320 -2.612 -5.106
314 HB2 SER 39 HB2 SER 39 -9.776 -4.610 -3.872
315 HB3 SER 39 HB3 SER 39 -11.020 -3.471 -4.378
316 HG SER 39 HG SER 39 -10.723 -4.231 -6.306
317 H SER 40 H SER 40 -9.483 -1.113 -2.330
318 HA SER 40 HA SER 40 -10.655 1.044 -3.938
319 HB2 SER 40 HB2 SER 40 -12.088 0.254 -1.438
320 HB3 SER 40 HB3 SER 40 -12.701 1.082 -2.867
321 HG SER 40 HG SER 40 -11.751 -1.381 -3.468
322 H CYS 41 H CYS 41 -8.224 1.374 -3.034
323 HA CYS 41 HA CYS 41 -8.017 2.275 -0.327
324 HB2 CYS 41 HB2 CYS 41 -6.041 1.505 -1.522
325 HB3 CYS 41 HB3 CYS 41 -6.244 2.775 -2.728
326 H SER 42 H SER 42 -8.910 4.064 0.457
327 HA SER 42 HA SER 42 -9.685 6.226 -1.345
328 HB2 SER 42 HB2 SER 42 -10.537 7.123 0.999
329 HB3 SER 42 HB3 SER 42 -11.424 5.879 0.124
330 HG SER 42 HG SER 42 -9.354 5.059 1.798
331 H GLU 43 H GLU 43 -7.768 7.245 -1.891
332 HA GLU 43 HA GLU 43 -5.536 7.862 -0.549
333 HB2 GLU 43 HB2 GLU 43 -7.165 9.877 -2.119
334 HB3 GLU 43 HB3 GLU 43 -5.449 10.020 -1.739
335 HG2 GLU 43 HG2 GLU 43 -6.094 7.440 -2.944
336 HG3 GLU 43 HG3 GLU 43 -6.525 8.789 -3.993
337 H THR 44 H THR 44 -5.070 8.641 1.404
338 HA THR 44 HA THR 44 -6.566 10.897 2.496
339 HB THR 44 HB THR 44 -6.628 9.521 4.740
340 HG1 THR 44 HG1 THR 44 -7.313 7.310 3.451
341 HG21 THR 44 HG21 THR 44 -8.507 9.967 2.613
342 HG22 THR 44 HG22 THR 44 -8.818 9.808 4.338
343 HG23 THR 44 HG23 THR 44 -8.800 8.377 3.311
344 H GLU 45 H GLU 45 -5.455 11.992 4.167
345 HA GLU 45 HA GLU 45 -2.694 12.174 3.919
346 HB2 GLU 45 HB2 GLU 45 -4.623 13.570 5.278
347 HB3 GLU 45 HB3 GLU 45 -3.700 12.846 6.595
348 HG2 GLU 45 HG2 GLU 45 -1.604 13.705 5.546
349 HG3 GLU 45 HG3 GLU 45 -2.583 14.517 4.325
350 H ASN 46 H ASN 46 -4.621 10.122 6.027
351 HA ASN 46 HA ASN 46 -2.244 9.167 7.433
352 HB2 ASN 46 HB2 ASN 46 -4.839 9.498 8.239
353 HB3 ASN 46 HB3 ASN 46 -4.796 7.772 7.884
354 HD21 ASN 46 HD21 ASN 46 -4.966 8.982 10.578
355 HD22 ASN 46 HD22 ASN 46 -3.579 8.474 11.415
356 H ASN 47 H ASN 47 -3.944 8.477 4.619
357 HA ASN 47 HA ASN 47 -2.446 6.037 4.215
358 HB2 ASN 47 HB2 ASN 47 -4.307 5.029 5.292
359 HB3 ASN 47 HB3 ASN 47 -5.452 6.039 4.416
360 HD21 ASN 47 HD21 ASN 47 -3.419 3.172 4.190
361 HD22 ASN 47 HD22 ASN 47 -3.991 2.664 2.675
362 H LYS 48 H LYS 48 -1.538 6.496 2.334
363 HA LYS 48 HA LYS 48 -3.126 7.878 0.266
364 HB2 LYS 48 HB2 LYS 48 -0.151 7.337 0.277
365 HB3 LYS 48 HB3 LYS 48 -1.034 8.449 -0.769
366 HG2 LYS 48 HG2 LYS 48 -1.453 8.907 2.114
367 HG3 LYS 48 HG3 LYS 48 0.201 9.179 1.566
368 HD2 LYS 48 HD2 LYS 48 -2.105 10.309 -0.001
369 HD3 LYS 48 HD3 LYS 48 -1.512 11.151 1.431
370 HE2 LYS 48 HE2 LYS 48 0.786 11.111 0.456
371 HE3 LYS 48 HE3 LYS 48 0.121 10.381 -1.005
372 HZ1 LYS 48 HZ1 LYS 48 -1.100 12.287 -1.490
373 HZ2 LYS 48 HZ2 LYS 48 0.400 12.892 -0.969
374 HZ3 LYS 48 HZ3 LYS 48 -0.940 12.917 0.076
375 H CYS 49 H CYS 49 -2.906 7.134 -1.977
376 HA CYS 49 HA CYS 49 -2.467 4.208 -2.161
377 HB2 CYS 49 HB2 CYS 49 -4.439 5.601 -3.932
378 HB3 CYS 49 HB3 CYS 49 -4.404 3.922 -3.396
379 H CYS 50 H CYS 50 -1.360 3.459 -3.912
380 HA CYS 50 HA CYS 50 -0.644 5.348 -6.050
381 HB2 CYS 50 HB2 CYS 50 1.737 4.531 -5.896
382 HB3 CYS 50 HB3 CYS 50 1.223 5.546 -4.549
383 H SER 51 H SER 51 0.076 4.325 -7.989
384 HA SER 51 HA SER 51 -0.432 1.417 -8.122
385 HB2 SER 51 HB2 SER 51 -1.139 2.946 -10.534
386 HB3 SER 51 HB3 SER 51 -1.989 1.618 -9.750
387 HG SER 51 HG SER 51 -3.248 3.093 -8.964
388 H THR 52 H THR 52 2.069 2.859 -7.899
389 HA THR 52 HA THR 52 3.240 2.389 -10.571
390 HB THR 52 HB THR 52 4.856 3.771 -8.521
391 HG1 THR 52 HG1 THR 52 2.345 4.628 -9.340
392 HG21 THR 52 HG21 THR 52 4.203 4.837 -11.235
393 HG22 THR 52 HG22 THR 52 5.167 3.363 -11.131
394 HG23 THR 52 HG23 THR 52 5.738 4.847 -10.366
395 H ASP 53 H ASP 53 2.621 0.460 -8.317
396 HA ASP 53 HA ASP 53 3.601 -1.334 -7.261
397 HB2 ASP 53 HB2 ASP 53 5.942 -1.313 -9.071
398 HB3 ASP 53 HB3 ASP 53 4.828 -2.622 -8.678
399 H ARG 54 H ARG 54 5.362 -2.015 -5.902
400 HA ARG 54 HA ARG 54 6.699 -1.384 -4.094
401 HB2 ARG 54 HB2 ARG 54 8.167 -2.121 -6.051
402 HB3 ARG 54 HB3 ARG 54 8.477 -0.408 -6.328
403 HG2 ARG 54 HG2 ARG 54 8.945 -0.520 -3.667
404 HG3 ARG 54 HG3 ARG 54 9.400 -2.163 -4.117
405 HD2 ARG 54 HD2 ARG 54 10.700 -0.967 -6.060
406 HD3 ARG 54 HD3 ARG 54 10.596 0.441 -5.009
407 HE ARG 54 HE ARG 54 11.629 -1.179 -3.270
408 HH11 ARG 54 HH21 ARG 54 12.213 -1.199 -6.691
409 HH12 ARG 54 HH22 ARG 54 13.802 -1.869 -6.549
410 HH21 ARG 54 HH11 ARG 54 13.712 -2.053 -3.090
411 HH22 ARG 54 HH12 ARG 54 14.650 -2.350 -4.515
412 H CYS 55 H CYS 55 4.844 0.758 -5.087
413 HA CYS 55 HA CYS 55 6.316 3.232 -4.820
414 HB2 CYS 55 HB2 CYS 55 3.972 4.217 -4.785
415 HB3 CYS 55 HB3 CYS 55 4.398 3.306 -6.234
416 H ASN 56 H ASN 56 4.147 1.282 -2.815
417 HA ASN 56 HA ASN 56 4.119 3.123 -0.615
418 HB2 ASN 56 HB2 ASN 56 3.010 1.313 0.597
419 HB3 ASN 56 HB3 ASN 56 2.312 1.481 -1.014
420 HD21 ASN 56 HD21 ASN 56 5.256 0.186 -1.657
421 HD22 ASN 56 HD22 ASN 56 4.880 -1.467 -1.584
422 H LYS 57 H LYS 57 6.682 3.129 -1.008
423 HA LYS 57 HA LYS 57 8.143 1.009 0.252
424 HB2 LYS 57 HB2 LYS 57 9.319 2.309 -1.367
425 HB3 LYS 57 HB3 LYS 57 8.884 3.820 -0.567
426 HG2 LYS 57 HG2 LYS 57 10.437 3.541 1.118
427 HG3 LYS 57 HG3 LYS 57 10.366 1.781 1.034
428 HD2 LYS 57 HD2 LYS 57 11.559 1.867 -1.152
429 HD3 LYS 57 HD3 LYS 57 11.704 3.616 -0.974
430 HE2 LYS 57 HE2 LYS 57 13.215 3.449 0.790
431 HE3 LYS 57 HE3 LYS 57 12.654 1.841 1.250
432 HZ1 LYS 57 HZ1 LYS 57 13.567 1.113 -0.988
433 HZ2 LYS 57 HZ2 LYS 57 14.699 1.488 0.223
434 HZ3 LYS 57 HZ3 LYS 57 14.383 2.600 -1.022
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 1.584 -3.679 -9.752
2 H2 LEU 1 H2 LEU 1 1.640 -4.791 -11.036
3 H3 LEU 1 H3 LEU 1 2.720 -4.938 -9.733
4 HA LEU 1 HA LEU 1 -0.065 -4.948 -8.976
5 HB2 LEU 1 HB2 LEU 1 0.941 -6.685 -11.110
6 HB3 LEU 1 HB3 LEU 1 0.289 -7.590 -9.744
7 HG LEU 1 HG LEU 1 -1.222 -5.252 -10.894
8 HD11 LEU 1 HD11 LEU 1 -0.606 -6.987 -12.680
9 HD12 LEU 1 HD12 LEU 1 -2.327 -6.668 -12.462
10 HD13 LEU 1 HD13 LEU 1 -1.604 -8.120 -11.771
11 HD21 LEU 1 HD21 LEU 1 -1.948 -7.758 -9.345
12 HD22 LEU 1 HD22 LEU 1 -3.138 -6.635 -10.005
13 HD23 LEU 1 HD23 LEU 1 -2.009 -6.094 -8.762
14 H LYS 2 H LYS 2 2.323 -4.426 -7.620
15 HA LYS 2 HA LYS 2 2.205 -6.401 -5.557
16 HB2 LYS 2 HB2 LYS 2 4.502 -7.194 -5.677
17 HB3 LYS 2 HB3 LYS 2 3.666 -7.583 -7.179
18 HG2 LYS 2 HG2 LYS 2 4.805 -4.959 -7.415
19 HG3 LYS 2 HG3 LYS 2 6.054 -6.070 -6.855
20 HD2 LYS 2 HD2 LYS 2 4.233 -6.737 -9.174
21 HD3 LYS 2 HD3 LYS 2 5.760 -5.883 -9.395
22 HE2 LYS 2 HE2 LYS 2 6.821 -7.867 -9.381
23 HE3 LYS 2 HE3 LYS 2 6.318 -8.088 -7.706
24 HZ1 LYS 2 HZ1 LYS 2 5.603 -9.896 -9.208
25 HZ2 LYS 2 HZ2 LYS 2 4.645 -8.781 -10.058
26 HZ3 LYS 2 HZ3 LYS 2 4.309 -9.125 -8.428
27 H CYS 3 H CYS 3 3.541 -5.812 -3.716
28 HA CYS 3 HA CYS 3 4.977 -3.311 -3.745
29 HB2 CYS 3 HB2 CYS 3 2.234 -3.491 -2.492
30 HB3 CYS 3 HB3 CYS 3 3.411 -2.259 -2.040
31 H TYR 4 H TYR 4 4.962 -2.651 -1.127
32 HA TYR 4 HA TYR 4 6.307 -4.941 0.079
33 HB2 TYR 4 HB2 TYR 4 6.171 -2.001 0.694
34 HB3 TYR 4 HB3 TYR 4 6.822 -3.148 1.867
35 HD1 TYR 4 HD2 TYR 4 8.556 -4.885 0.893
36 HD2 TYR 4 HD1 TYR 4 7.610 -1.106 -0.913
37 HE1 TYR 4 HE2 TYR 4 10.697 -4.943 -0.346
38 HE2 TYR 4 HE1 TYR 4 9.756 -1.163 -2.156
39 HH TYR 4 HH TYR 4 12.100 -3.794 -1.650
40 H GLN 5 H GLN 5 4.571 -6.260 0.609
41 HA GLN 5 HA GLN 5 2.560 -5.208 2.474
42 HB2 GLN 5 HB2 GLN 5 1.933 -6.631 0.467
43 HB3 GLN 5 HB3 GLN 5 2.700 -7.985 1.295
44 HG2 GLN 5 HG2 GLN 5 1.203 -7.387 3.299
45 HG3 GLN 5 HG3 GLN 5 0.292 -6.389 2.167
46 HE21 GLN 5 HE21 GLN 5 -0.890 -7.487 0.435
47 HE22 GLN 5 HE22 GLN 5 -1.184 -9.158 0.499
48 H HIS 6 H HIS 6 5.386 -7.215 2.360
49 HA HIS 6 HA HIS 6 5.146 -7.654 5.262
50 HB2 HIS 6 HB2 HIS 6 5.611 -9.738 3.142
51 HB3 HIS 6 HB3 HIS 6 6.220 -9.962 4.782
52 HD1 HIS 6 HD1 HIS 6 4.251 -9.502 6.707
53 HD2 HIS 6 HD2 HIS 6 2.997 -10.582 2.881
54 HE1 HIS 6 HE1 HIS 6 1.867 -10.326 6.940
55 H GLY 7 H GLY 7 6.642 -5.657 4.009
56 HA2 GLY 7 HA2 GLY 7 8.750 -4.739 4.307
57 HA3 GLY 7 HA3 GLY 7 9.276 -6.268 5.007
58 H LYS 8 H LYS 8 7.969 -7.422 2.396
59 HA LYS 8 HA LYS 8 10.252 -6.863 0.606
60 HB2 LYS 8 HB2 LYS 8 9.068 -9.579 0.532
61 HB3 LYS 8 HB3 LYS 8 10.748 -9.073 0.347
62 HG2 LYS 8 HG2 LYS 8 10.840 -8.608 2.799
63 HG3 LYS 8 HG3 LYS 8 9.200 -9.239 2.950
64 HD2 LYS 8 HD2 LYS 8 11.319 -10.908 1.625
65 HD3 LYS 8 HD3 LYS 8 11.231 -10.840 3.386
66 HE2 LYS 8 HE2 LYS 8 8.862 -11.503 1.620
67 HE3 LYS 8 HE3 LYS 8 9.904 -12.724 2.349
68 HZ1 LYS 8 HZ1 LYS 8 9.405 -11.507 4.521
69 HZ2 LYS 8 HZ2 LYS 8 8.178 -12.480 3.860
70 HZ3 LYS 8 HZ3 LYS 8 8.115 -10.791 3.684
71 H VAL 9 H VAL 9 9.770 -6.649 -1.540
72 HA VAL 9 HA VAL 9 7.183 -5.942 -2.329
73 HB VAL 9 HB VAL 9 9.454 -6.939 -4.066
74 HG11 VAL 9 HG11 VAL 9 7.416 -6.932 -5.340
75 HG12 VAL 9 HG12 VAL 9 8.282 -5.455 -5.763
76 HG13 VAL 9 HG13 VAL 9 6.917 -5.389 -4.646
77 HG21 VAL 9 HG21 VAL 9 10.382 -5.087 -3.025
78 HG22 VAL 9 HG22 VAL 9 8.813 -4.334 -2.739
79 HG23 VAL 9 HG23 VAL 9 9.531 -4.290 -4.349
80 H VAL 10 H VAL 10 5.560 -7.384 -1.979
81 HA VAL 10 HA VAL 10 5.733 -9.928 -3.476
82 HB VAL 10 HB VAL 10 4.220 -10.826 -1.565
83 HG11 VAL 10 HG11 VAL 10 7.180 -10.384 -1.572
84 HG12 VAL 10 HG12 VAL 10 6.273 -11.891 -1.690
85 HG13 VAL 10 HG13 VAL 10 6.445 -11.086 -0.131
86 HG21 VAL 10 HG21 VAL 10 4.596 -8.198 -0.665
87 HG22 VAL 10 HG22 VAL 10 5.650 -9.172 0.360
88 HG23 VAL 10 HG23 VAL 10 3.927 -9.538 0.267
89 H THR 11 H THR 11 3.851 -10.615 -4.470
90 HA THR 11 HA THR 11 1.950 -8.589 -5.142
91 HB THR 11 HB THR 11 1.842 -11.571 -5.659
92 HG1 THR 11 HG1 THR 11 3.596 -10.885 -6.700
93 HG21 THR 11 HG21 THR 11 0.510 -10.504 -7.699
94 HG22 THR 11 HG22 THR 11 0.212 -9.221 -6.525
95 HG23 THR 11 HG23 THR 11 -0.298 -10.873 -6.176
96 H CYS 12 H CYS 12 0.292 -7.966 -3.933
97 HA CYS 12 HA CYS 12 -0.533 -9.328 -1.584
98 HB2 CYS 12 HB2 CYS 12 -2.404 -7.407 -2.847
99 HB3 CYS 12 HB3 CYS 12 -1.810 -7.482 -1.188
100 H HIS 13 H HIS 13 -3.362 -9.048 -1.762
101 HA HIS 13 HA HIS 13 -4.102 -11.069 -3.779
102 HB2 HIS 13 HB2 HIS 13 -3.665 -12.010 -1.413
103 HB3 HIS 13 HB3 HIS 13 -5.167 -11.201 -0.969
104 HD1 HIS 13 HD1 HIS 13 -7.107 -12.752 -1.132
105 HD2 HIS 13 HD2 HIS 13 -4.244 -13.586 -4.046
106 HE1 HIS 13 HE1 HIS 13 -7.999 -14.705 -2.475
107 H ARG 14 H ARG 14 -6.742 -11.227 -2.340
108 HA ARG 14 HA ARG 14 -8.826 -10.342 -2.842
109 HB2 ARG 14 HB2 ARG 14 -7.723 -9.006 -0.822
110 HB3 ARG 14 HB3 ARG 14 -7.808 -7.675 -1.976
111 HG2 ARG 14 HG2 ARG 14 -10.253 -8.363 -2.349
112 HG3 ARG 14 HG3 ARG 14 -10.079 -9.351 -0.897
113 HD2 ARG 14 HD2 ARG 14 -9.361 -7.328 0.358
114 HD3 ARG 14 HD3 ARG 14 -9.626 -6.360 -1.089
115 HE ARG 14 HE ARG 14 -11.665 -7.423 0.676
116 HH11 ARG 14 HH21 ARG 14 -10.858 -6.258 -2.481
117 HH12 ARG 14 HH22 ARG 14 -12.478 -5.788 -2.874
118 HH21 ARG 14 HH11 ARG 14 -13.795 -6.812 0.168
119 HH22 ARG 14 HH12 ARG 14 -14.142 -6.102 -1.374
120 H ASP 15 H ASP 15 -6.675 -10.099 -4.947
121 HA ASP 15 HA ASP 15 -6.392 -9.127 -7.016
122 HB2 ASP 15 HB2 ASP 15 -9.290 -8.325 -6.680
123 HB3 ASP 15 HB3 ASP 15 -8.410 -8.524 -8.195
124 H MET 16 H MET 16 -5.468 -7.577 -4.947
125 HA MET 16 HA MET 16 -6.451 -4.967 -4.779
126 HB2 MET 16 HB2 MET 16 -4.603 -4.539 -3.528
127 HB3 MET 16 HB3 MET 16 -4.432 -6.292 -3.573
128 HG2 MET 16 HG2 MET 16 -2.298 -5.466 -4.205
129 HG3 MET 16 HG3 MET 16 -3.060 -5.930 -5.724
130 HE1 MET 16 HE1 MET 16 -1.258 -4.815 -6.664
131 HE2 MET 16 HE2 MET 16 -1.119 -3.093 -7.007
132 HE3 MET 16 HE3 MET 16 -2.389 -4.038 -7.780
133 H LYS 17 H LYS 17 -6.250 -3.177 -5.986
134 HA LYS 17 HA LYS 17 -4.792 -3.421 -8.547
135 HB2 LYS 17 HB2 LYS 17 -7.350 -1.975 -7.851
136 HB3 LYS 17 HB3 LYS 17 -6.451 -1.660 -9.335
137 HG2 LYS 17 HG2 LYS 17 -7.076 -4.502 -8.645
138 HG3 LYS 17 HG3 LYS 17 -8.381 -3.490 -9.265
139 HD2 LYS 17 HD2 LYS 17 -7.153 -2.997 -11.273
140 HD3 LYS 17 HD3 LYS 17 -5.691 -3.743 -10.628
141 HE2 LYS 17 HE2 LYS 17 -6.976 -5.919 -10.492
142 HE3 LYS 17 HE3 LYS 17 -8.274 -5.128 -11.387
143 HZ1 LYS 17 HZ1 LYS 17 -5.758 -6.130 -12.324
144 HZ2 LYS 17 HZ2 LYS 17 -6.045 -4.530 -12.818
145 HZ3 LYS 17 HZ3 LYS 17 -7.164 -5.752 -13.195
146 H PHE 18 H PHE 18 -4.705 -1.972 -5.571
147 HA PHE 18 HA PHE 18 -2.846 0.062 -6.516
148 HB2 PHE 18 HB2 PHE 18 -5.356 0.774 -4.985
149 HB3 PHE 18 HB3 PHE 18 -4.003 1.868 -5.260
150 HD1 PHE 18 HD2 PHE 18 -3.505 2.730 -7.502
151 HD2 PHE 18 HD1 PHE 18 -6.827 0.095 -6.810
152 HE1 PHE 18 HE2 PHE 18 -4.427 3.305 -9.733
153 HE2 PHE 18 HE1 PHE 18 -7.748 0.669 -9.040
154 HZ PHE 18 HZ PHE 18 -6.548 2.275 -10.501
155 H CYS 19 H CYS 19 -1.473 0.853 -4.902
156 HA CYS 19 HA CYS 19 -1.469 -0.748 -2.420
157 HB2 CYS 19 HB2 CYS 19 0.782 0.644 -3.880
158 HB3 CYS 19 HB3 CYS 19 0.954 -0.164 -2.323
159 H TYR 20 H TYR 20 -1.207 0.297 -0.421
160 HA TYR 20 HA TYR 20 -1.264 3.246 -0.516
161 HB2 TYR 20 HB2 TYR 20 -2.927 3.237 1.313
162 HB3 TYR 20 HB3 TYR 20 -3.548 2.510 -0.166
163 HD1 TYR 20 HD2 TYR 20 -1.981 1.673 3.124
164 HD2 TYR 20 HD1 TYR 20 -4.362 0.300 -0.178
165 HE1 TYR 20 HE2 TYR 20 -2.492 -0.416 4.359
166 HE2 TYR 20 HE1 TYR 20 -4.874 -1.787 1.058
167 HH TYR 20 HH TYR 20 -4.953 -2.545 3.427
168 H HIS 21 H HIS 21 -0.170 4.302 1.042
169 HA HIS 21 HA HIS 21 1.391 2.644 2.927
170 HB2 HIS 21 HB2 HIS 21 2.536 4.090 1.090
171 HB3 HIS 21 HB3 HIS 21 2.122 5.449 2.132
172 HD1 HIS 21 HD1 HIS 21 5.088 4.365 1.622
173 HD2 HIS 21 HD2 HIS 21 2.732 3.560 4.966
174 HE1 HIS 21 HE1 HIS 21 6.684 3.760 3.494
175 H ASN 22 H ASN 22 -0.318 2.681 4.489
176 HA ASN 22 HA ASN 22 -1.342 5.167 5.487
177 HB2 ASN 22 HB2 ASN 22 -2.587 2.997 5.583
178 HB3 ASN 22 HB3 ASN 22 -1.437 2.446 6.800
179 HD21 ASN 22 HD21 ASN 22 -1.114 4.635 8.449
180 HD22 ASN 22 HD22 ASN 22 -2.601 5.101 9.121
181 H THR 23 H THR 23 -0.291 6.530 6.739
182 HA THR 23 HA THR 23 2.013 5.589 8.299
183 HB THR 23 HB THR 23 2.515 7.993 8.571
184 HG1 THR 23 HG1 THR 23 0.385 8.757 8.508
185 HG21 THR 23 HG21 THR 23 3.647 7.426 6.685
186 HG22 THR 23 HG22 THR 23 2.409 8.377 5.865
187 HG23 THR 23 HG23 THR 23 2.247 6.624 5.974
188 H GLY 24 H GLY 24 -1.259 6.602 8.651
189 HA2 GLY 24 HA2 GLY 24 -2.625 6.792 10.495
190 HA3 GLY 24 HA3 GLY 24 -1.395 5.899 11.383
191 H MET 25 H MET 25 0.424 7.109 12.251
192 HA MET 25 HA MET 25 0.876 8.753 13.879
193 HB2 MET 25 HB2 MET 25 1.581 10.855 12.587
194 HB3 MET 25 HB3 MET 25 2.368 9.341 12.141
195 HG2 MET 25 HG2 MET 25 0.929 9.073 10.224
196 HG3 MET 25 HG3 MET 25 -0.081 10.428 10.728
197 HE1 MET 25 HE1 MET 25 0.187 12.720 10.033
198 HE2 MET 25 HE2 MET 25 1.736 13.554 9.928
199 HE3 MET 25 HE3 MET 25 1.263 12.774 11.436
200 HA PRO 26 HA PRO 26 -3.381 10.730 13.691
201 HB2 PRO 26 HB2 PRO 26 -4.290 9.674 16.055
202 HB3 PRO 26 HB3 PRO 26 -4.514 8.892 14.478
203 HG2 PRO 26 HG2 PRO 26 -2.533 8.312 16.617
204 HG3 PRO 26 HG3 PRO 26 -3.403 7.199 15.548
205 HD2 PRO 26 HD2 PRO 26 -0.786 7.923 15.148
206 HD3 PRO 26 HD3 PRO 26 -1.878 7.445 13.830
207 H PHE 27 H PHE 27 -2.891 10.167 17.080
208 HA PHE 27 HA PHE 27 -2.534 13.027 17.523
209 HB2 PHE 27 HB2 PHE 27 -3.352 10.689 19.162
210 HB3 PHE 27 HB3 PHE 27 -2.543 12.009 20.006
211 HD1 PHE 27 HD2 PHE 27 -5.155 11.556 17.341
212 HD2 PHE 27 HD1 PHE 27 -3.891 13.714 20.834
213 HE1 PHE 27 HE2 PHE 27 -7.247 12.885 17.278
214 HE2 PHE 27 HE1 PHE 27 -5.984 15.042 20.770
215 HZ PHE 27 HZ PHE 27 -7.663 14.628 18.992
216 H ARG 28 H ARG 28 -0.529 10.414 17.018
217 HA ARG 28 HA ARG 28 1.728 11.852 18.224
218 HB2 ARG 28 HB2 ARG 28 0.750 9.170 19.008
219 HB3 ARG 28 HB3 ARG 28 2.490 9.314 18.763
220 HG2 ARG 28 HG2 ARG 28 0.959 11.320 20.423
221 HG3 ARG 28 HG3 ARG 28 1.597 9.832 21.124
222 HD2 ARG 28 HD2 ARG 28 3.576 11.194 19.471
223 HD3 ARG 28 HD3 ARG 28 2.999 12.216 20.784
224 HE ARG 28 HE ARG 28 3.551 9.682 21.856
225 HH11 ARG 28 HH21 ARG 28 5.163 12.341 20.337
226 HH12 ARG 28 HH22 ARG 28 6.664 12.079 21.158
227 HH21 ARG 28 HH11 ARG 28 5.517 9.333 22.938
228 HH22 ARG 28 HH12 ARG 28 6.866 10.374 22.630
229 H ASN 29 H ASN 29 3.844 10.902 17.464
230 HA ASN 29 HA ASN 29 3.973 10.882 14.674
231 HB2 ASN 29 HB2 ASN 29 5.823 10.421 16.898
232 HB3 ASN 29 HB3 ASN 29 6.242 9.518 15.443
233 HD21 ASN 29 HD21 ASN 29 7.693 11.865 16.546
234 HD22 ASN 29 HD22 ASN 29 7.646 13.055 15.338
235 H LEU 30 H LEU 30 4.403 8.117 16.893
236 HA LEU 30 HA LEU 30 3.991 5.873 16.621
237 HB2 LEU 30 HB2 LEU 30 1.819 7.040 15.539
238 HB3 LEU 30 HB3 LEU 30 2.465 6.245 14.103
239 HG LEU 30 HG LEU 30 2.703 4.164 15.667
240 HD11 LEU 30 HD11 LEU 30 1.987 5.774 17.635
241 HD12 LEU 30 HD12 LEU 30 1.428 4.102 17.611
242 HD13 LEU 30 HD13 LEU 30 0.358 5.397 17.074
243 HD21 LEU 30 HD21 LEU 30 1.176 3.840 13.959
244 HD22 LEU 30 HD22 LEU 30 0.268 5.300 14.353
245 HD23 LEU 30 HD23 LEU 30 0.070 3.846 15.333
246 H LYS 31 H LYS 31 5.852 4.899 16.087
247 HA LYS 31 HA LYS 31 6.942 5.236 13.383
248 HB2 LYS 31 HB2 LYS 31 8.031 4.467 16.029
249 HB3 LYS 31 HB3 LYS 31 8.747 3.665 14.631
250 HG2 LYS 31 HG2 LYS 31 10.004 5.687 15.025
251 HG3 LYS 31 HG3 LYS 31 9.032 5.940 13.576
252 HD2 LYS 31 HD2 LYS 31 7.710 7.511 14.575
253 HD3 LYS 31 HD3 LYS 31 7.724 6.677 16.130
254 HE2 LYS 31 HE2 LYS 31 10.116 8.165 15.018
255 HE3 LYS 31 HE3 LYS 31 8.947 8.892 16.120
256 HZ1 LYS 31 HZ1 LYS 31 11.141 7.446 16.836
257 HZ2 LYS 31 HZ2 LYS 31 9.865 6.342 17.028
258 HZ3 LYS 31 HZ3 LYS 31 9.832 7.833 17.842
259 H LEU 32 H LEU 32 4.554 3.760 13.542
260 HA LEU 32 HA LEU 32 5.499 1.002 13.041
261 HB2 LEU 32 HB2 LEU 32 3.098 2.088 14.374
262 HB3 LEU 32 HB3 LEU 32 2.801 0.746 13.269
263 HG LEU 32 HG LEU 32 5.035 0.610 15.286
264 HD11 LEU 32 HD11 LEU 32 2.828 1.147 16.418
265 HD12 LEU 32 HD12 LEU 32 3.550 -0.390 16.895
266 HD13 LEU 32 HD13 LEU 32 2.206 -0.364 15.755
267 HD21 LEU 32 HD21 LEU 32 4.430 -1.003 13.216
268 HD22 LEU 32 HD22 LEU 32 3.363 -1.705 14.433
269 HD23 LEU 32 HD23 LEU 32 5.100 -1.622 14.726
270 H ILE 33 H ILE 33 5.407 0.299 11.008
271 HA ILE 33 HA ILE 33 4.213 1.974 8.960
272 HB ILE 33 HB ILE 33 6.336 1.037 8.409
273 HG12 ILE 33 HG12 ILE 33 4.568 -0.880 6.942
274 HG13 ILE 33 HG13 ILE 33 4.251 0.846 6.758
275 HG21 ILE 33 HG21 ILE 33 5.983 -1.735 8.281
276 HG22 ILE 33 HG22 ILE 33 5.250 -1.270 9.816
277 HG23 ILE 33 HG23 ILE 33 6.932 -0.857 9.481
278 HD11 ILE 33 HD11 ILE 33 6.007 -0.448 5.195
279 HD12 ILE 33 HD12 ILE 33 7.087 -0.044 6.529
280 HD13 ILE 33 HD13 ILE 33 6.237 1.237 5.663
281 H LEU 34 H LEU 34 2.297 1.679 8.024
282 HA LEU 34 HA LEU 34 0.878 -0.876 8.493
283 HB2 LEU 34 HB2 LEU 34 -0.134 1.969 8.499
284 HB3 LEU 34 HB3 LEU 34 -1.219 0.599 8.267
285 HG LEU 34 HG LEU 34 0.254 -0.195 10.459
286 HD11 LEU 34 HD11 LEU 34 1.243 2.139 10.481
287 HD12 LEU 34 HD12 LEU 34 0.426 1.667 11.971
288 HD13 LEU 34 HD13 LEU 34 -0.377 2.743 10.828
289 HD21 LEU 34 HD21 LEU 34 -2.235 -0.264 10.069
290 HD22 LEU 34 HD22 LEU 34 -2.303 1.435 10.538
291 HD23 LEU 34 HD23 LEU 34 -1.785 0.218 11.705
292 H GLN 35 H GLN 35 2.336 -1.069 6.387
293 HA GLN 35 HA GLN 35 1.108 0.067 4.017
294 HB2 GLN 35 HB2 GLN 35 3.617 -0.459 4.391
295 HB3 GLN 35 HB3 GLN 35 3.168 -2.121 4.008
296 HG2 GLN 35 HG2 GLN 35 2.582 0.277 2.250
297 HG3 GLN 35 HG3 GLN 35 3.908 -0.855 1.996
298 HE21 GLN 35 HE21 GLN 35 2.554 -3.303 2.611
299 HE22 GLN 35 HE22 GLN 35 1.356 -3.558 1.436
300 H GLY 36 H GLY 36 -0.159 -0.944 2.565
301 HA2 GLY 36 HA2 GLY 36 -0.575 -3.756 2.429
302 HA3 GLY 36 HA3 GLY 36 -1.894 -2.977 3.298
303 H CYS 37 H CYS 37 -2.036 -4.329 0.729
304 HA CYS 37 HA CYS 37 -2.555 -2.079 -1.099
305 HB2 CYS 37 HB2 CYS 37 -2.874 -4.756 -2.208
306 HB3 CYS 37 HB3 CYS 37 -1.895 -3.408 -2.784
307 H SER 38 H SER 38 -4.483 -2.334 -2.540
308 HA SER 38 HA SER 38 -6.680 -3.967 -1.713
309 HB2 SER 38 HB2 SER 38 -6.772 -2.377 0.135
310 HB3 SER 38 HB3 SER 38 -6.762 -1.026 -0.995
311 HG SER 38 HG SER 38 -8.832 -2.449 -0.118
312 H SER 39 H SER 39 -8.619 -3.550 -2.995
313 HA SER 39 HA SER 39 -7.936 -2.733 -5.679
314 HB2 SER 39 HB2 SER 39 -10.764 -3.259 -5.040
315 HB3 SER 39 HB3 SER 39 -9.748 -3.934 -6.310
316 HG SER 39 HG SER 39 -10.425 -5.372 -4.516
317 H SER 40 H SER 40 -9.719 -1.415 -2.969
318 HA SER 40 HA SER 40 -10.129 1.058 -4.531
319 HB2 SER 40 HB2 SER 40 -12.119 -0.584 -3.108
320 HB3 SER 40 HB3 SER 40 -12.188 1.138 -2.743
321 HG SER 40 HG SER 40 -11.913 1.201 -5.234
322 H CYS 41 H CYS 41 -8.250 1.919 -3.593
323 HA CYS 41 HA CYS 41 -8.073 2.157 -0.695
324 HB2 CYS 41 HB2 CYS 41 -6.017 1.753 -1.904
325 HB3 CYS 41 HB3 CYS 41 -6.310 3.146 -2.943
326 H SER 42 H SER 42 -7.753 4.272 0.324
327 HA SER 42 HA SER 42 -9.339 6.381 -1.018
328 HB2 SER 42 HB2 SER 42 -9.951 5.116 1.346
329 HB3 SER 42 HB3 SER 42 -9.108 6.559 1.901
330 HG SER 42 HG SER 42 -10.561 7.813 0.790
331 H GLU 43 H GLU 43 -7.594 7.455 -1.939
332 HA GLU 43 HA GLU 43 -5.149 8.069 -0.789
333 HB2 GLU 43 HB2 GLU 43 -6.827 9.716 -2.695
334 HB3 GLU 43 HB3 GLU 43 -5.136 10.046 -2.319
335 HG2 GLU 43 HG2 GLU 43 -4.491 7.836 -3.149
336 HG3 GLU 43 HG3 GLU 43 -6.179 7.445 -3.469
337 H THR 44 H THR 44 -4.941 8.831 1.231
338 HA THR 44 HA THR 44 -6.178 11.422 1.846
339 HB THR 44 HB THR 44 -6.562 10.510 4.219
340 HG1 THR 44 HG1 THR 44 -5.741 8.559 4.312
341 HG21 THR 44 HG21 THR 44 -8.324 9.215 2.150
342 HG22 THR 44 HG22 THR 44 -8.278 10.969 2.327
343 HG23 THR 44 HG23 THR 44 -8.784 9.958 3.681
344 H GLU 45 H GLU 45 -5.095 12.566 3.572
345 HA GLU 45 HA GLU 45 -2.338 12.651 3.380
346 HB2 GLU 45 HB2 GLU 45 -4.279 13.584 5.468
347 HB3 GLU 45 HB3 GLU 45 -2.545 13.737 5.753
348 HG2 GLU 45 HG2 GLU 45 -3.727 15.731 4.628
349 HG3 GLU 45 HG3 GLU 45 -2.243 15.146 3.876
350 H ASN 46 H ASN 46 -4.348 10.691 5.498
351 HA ASN 46 HA ASN 46 -2.045 9.704 6.984
352 HB2 ASN 46 HB2 ASN 46 -4.692 10.063 7.633
353 HB3 ASN 46 HB3 ASN 46 -4.616 8.327 7.338
354 HD21 ASN 46 HD21 ASN 46 -5.078 8.521 9.860
355 HD22 ASN 46 HD22 ASN 46 -3.699 8.518 10.850
356 H ASN 47 H ASN 47 -4.365 8.565 4.571
357 HA ASN 47 HA ASN 47 -2.624 6.221 4.124
358 HB2 ASN 47 HB2 ASN 47 -4.446 5.149 5.050
359 HB3 ASN 47 HB3 ASN 47 -5.584 6.365 4.477
360 HD21 ASN 47 HD21 ASN 47 -6.455 6.122 2.324
361 HD22 ASN 47 HD22 ASN 47 -6.174 4.733 1.390
362 H LYS 48 H LYS 48 -1.603 6.720 2.280
363 HA LYS 48 HA LYS 48 -3.075 8.061 0.126
364 HB2 LYS 48 HB2 LYS 48 -0.160 7.258 0.240
365 HB3 LYS 48 HB3 LYS 48 -0.913 8.334 -0.936
366 HG2 LYS 48 HG2 LYS 48 -1.570 9.275 1.690
367 HG3 LYS 48 HG3 LYS 48 0.172 9.013 1.614
368 HD2 LYS 48 HD2 LYS 48 -1.296 10.477 -0.581
369 HD3 LYS 48 HD3 LYS 48 -0.701 11.317 0.852
370 HE2 LYS 48 HE2 LYS 48 1.502 11.055 0.262
371 HE3 LYS 48 HE3 LYS 48 1.216 9.501 -0.519
372 HZ1 LYS 48 HZ1 LYS 48 1.560 10.827 -2.326
373 HZ2 LYS 48 HZ2 LYS 48 0.899 12.211 -1.593
374 HZ3 LYS 48 HZ3 LYS 48 -0.123 10.986 -2.178
375 H CYS 49 H CYS 49 -2.509 7.226 -2.153
376 HA CYS 49 HA CYS 49 -2.413 4.288 -2.236
377 HB2 CYS 49 HB2 CYS 49 -4.398 5.691 -3.975
378 HB3 CYS 49 HB3 CYS 49 -4.391 4.027 -3.395
379 H CYS 50 H CYS 50 -1.139 3.546 -3.814
380 HA CYS 50 HA CYS 50 -0.485 5.357 -6.059
381 HB2 CYS 50 HB2 CYS 50 1.778 4.100 -6.018
382 HB3 CYS 50 HB3 CYS 50 1.504 5.354 -4.810
383 H SER 51 H SER 51 0.406 4.128 -7.968
384 HA SER 51 HA SER 51 -0.556 1.366 -8.160
385 HB2 SER 51 HB2 SER 51 -1.335 2.809 -10.537
386 HB3 SER 51 HB3 SER 51 -2.317 1.809 -9.471
387 HG SER 51 HG SER 51 -1.554 4.292 -8.495
388 H THR 52 H THR 52 2.077 2.277 -8.055
389 HA THR 52 HA THR 52 2.977 1.719 -10.816
390 HB THR 52 HB THR 52 4.526 3.434 -8.882
391 HG1 THR 52 HG1 THR 52 2.959 4.805 -9.181
392 HG21 THR 52 HG21 THR 52 5.895 3.881 -10.680
393 HG22 THR 52 HG22 THR 52 4.596 3.676 -11.855
394 HG23 THR 52 HG23 THR 52 5.361 2.262 -11.130
395 H ASP 53 H ASP 53 2.511 0.003 -8.394
396 HA ASP 53 HA ASP 53 3.531 -1.732 -7.283
397 HB2 ASP 53 HB2 ASP 53 5.480 -1.482 -9.587
398 HB3 ASP 53 HB3 ASP 53 5.363 -2.859 -8.494
399 H ARG 54 H ARG 54 5.287 -2.281 -5.878
400 HA ARG 54 HA ARG 54 6.604 -1.453 -4.121
401 HB2 ARG 54 HB2 ARG 54 8.916 -0.853 -5.169
402 HB3 ARG 54 HB3 ARG 54 8.293 -2.493 -5.356
403 HG2 ARG 54 HG2 ARG 54 7.358 -1.856 -7.573
404 HG3 ARG 54 HG3 ARG 54 8.076 -0.256 -7.392
405 HD2 ARG 54 HD2 ARG 54 10.158 -1.004 -7.888
406 HD3 ARG 54 HD3 ARG 54 9.961 -2.468 -6.929
407 HE ARG 54 HE ARG 54 8.451 -2.462 -9.403
408 HH11 ARG 54 HH21 ARG 54 11.449 -3.151 -7.819
409 HH12 ARG 54 HH22 ARG 54 11.955 -4.328 -8.985
410 HH21 ARG 54 HH11 ARG 54 9.106 -4.005 -10.936
411 HH22 ARG 54 HH12 ARG 54 10.627 -4.813 -10.750
412 H CYS 55 H CYS 55 4.792 0.569 -5.216
413 HA CYS 55 HA CYS 55 6.186 3.036 -5.559
414 HB2 CYS 55 HB2 CYS 55 3.888 4.017 -5.013
415 HB3 CYS 55 HB3 CYS 55 3.974 2.945 -6.412
416 H ASN 56 H ASN 56 4.825 1.345 -2.785
417 HA ASN 56 HA ASN 56 5.257 3.523 -0.951
418 HB2 ASN 56 HB2 ASN 56 4.921 1.531 0.726
419 HB3 ASN 56 HB3 ASN 56 3.557 2.125 -0.219
420 HD21 ASN 56 HD21 ASN 56 6.091 0.312 -1.848
421 HD22 ASN 56 HD22 ASN 56 5.184 -1.105 -2.074
422 H LYS 57 H LYS 57 7.475 4.036 -1.250
423 HA LYS 57 HA LYS 57 9.644 2.317 -1.178
424 HB2 LYS 57 HB2 LYS 57 9.196 5.173 -0.558
425 HB3 LYS 57 HB3 LYS 57 10.640 4.457 0.161
426 HG2 LYS 57 HG2 LYS 57 10.087 3.839 -2.705
427 HG3 LYS 57 HG3 LYS 57 10.659 5.463 -2.320
428 HD2 LYS 57 HD2 LYS 57 12.686 4.678 -1.434
429 HD3 LYS 57 HD3 LYS 57 12.053 3.052 -1.176
430 HE2 LYS 57 HE2 LYS 57 13.436 2.835 -3.084
431 HE3 LYS 57 HE3 LYS 57 11.805 2.947 -3.746
432 HZ1 LYS 57 HZ1 LYS 57 13.150 5.478 -3.334
433 HZ2 LYS 57 HZ2 LYS 57 12.214 4.942 -4.647
434 HZ3 LYS 57 HZ3 LYS 57 13.846 4.487 -4.521
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 2.880 -3.327 -10.172
2 H2 LEU 1 H2 LEU 1 3.432 -4.477 -11.293
3 H3 LEU 1 H3 LEU 1 4.029 -4.482 -9.702
4 HA LEU 1 HA LEU 1 1.185 -4.670 -9.751
5 HB2 LEU 1 HB2 LEU 1 2.696 -6.234 -11.689
6 HB3 LEU 1 HB3 LEU 1 1.860 -7.269 -10.530
7 HG LEU 1 HG LEU 1 0.459 -6.697 -12.527
8 HD11 LEU 1 HD11 LEU 1 -1.354 -6.854 -11.186
9 HD12 LEU 1 HD12 LEU 1 -1.028 -5.289 -10.442
10 HD13 LEU 1 HD13 LEU 1 -0.232 -6.739 -9.829
11 HD21 LEU 1 HD21 LEU 1 0.363 -4.569 -13.262
12 HD22 LEU 1 HD22 LEU 1 1.476 -4.097 -11.979
13 HD23 LEU 1 HD23 LEU 1 -0.265 -4.035 -11.703
14 H LYS 2 H LYS 2 3.531 -4.314 -8.013
15 HA LYS 2 HA LYS 2 2.866 -6.359 -6.059
16 HB2 LYS 2 HB2 LYS 2 5.069 -7.211 -5.753
17 HB3 LYS 2 HB3 LYS 2 4.760 -7.287 -7.488
18 HG2 LYS 2 HG2 LYS 2 5.792 -4.783 -7.297
19 HG3 LYS 2 HG3 LYS 2 6.653 -5.575 -5.978
20 HD2 LYS 2 HD2 LYS 2 7.925 -5.792 -8.068
21 HD3 LYS 2 HD3 LYS 2 7.357 -7.374 -7.530
22 HE2 LYS 2 HE2 LYS 2 6.063 -7.644 -9.365
23 HE3 LYS 2 HE3 LYS 2 5.417 -6.009 -9.243
24 HZ1 LYS 2 HZ1 LYS 2 8.183 -6.114 -10.028
25 HZ2 LYS 2 HZ2 LYS 2 6.895 -5.236 -10.703
26 HZ3 LYS 2 HZ3 LYS 2 7.141 -6.861 -11.137
27 H CYS 3 H CYS 3 3.889 -5.888 -3.942
28 HA CYS 3 HA CYS 3 5.164 -3.358 -3.507
29 HB2 CYS 3 HB2 CYS 3 2.216 -3.644 -2.971
30 HB3 CYS 3 HB3 CYS 3 3.211 -2.538 -2.026
31 H TYR 4 H TYR 4 4.990 -2.864 -0.998
32 HA TYR 4 HA TYR 4 5.957 -5.252 0.310
33 HB2 TYR 4 HB2 TYR 4 5.712 -2.368 1.162
34 HB3 TYR 4 HB3 TYR 4 6.298 -3.638 2.241
35 HD1 TYR 4 HD1 TYR 4 8.094 -5.263 1.097
36 HD2 TYR 4 HD2 TYR 4 7.307 -1.211 -0.086
37 HE1 TYR 4 HE1 TYR 4 10.323 -5.143 0.030
38 HE2 TYR 4 HE2 TYR 4 9.543 -1.088 -1.150
39 HH TYR 4 HH TYR 4 11.325 -3.635 -1.975
40 H GLN 5 H GLN 5 4.148 -6.553 0.474
41 HA GLN 5 HA GLN 5 1.865 -5.573 2.042
42 HB2 GLN 5 HB2 GLN 5 1.876 -7.095 -0.173
43 HB3 GLN 5 HB3 GLN 5 1.939 -8.368 1.047
44 HG2 GLN 5 HG2 GLN 5 -0.068 -6.101 1.099
45 HG3 GLN 5 HG3 GLN 5 -0.398 -7.678 0.384
46 HE21 GLN 5 HE21 GLN 5 -0.713 -5.943 3.248
47 HE22 GLN 5 HE22 GLN 5 -0.838 -7.248 4.326
48 H HIS 6 H HIS 6 4.626 -7.675 2.271
49 HA HIS 6 HA HIS 6 3.909 -8.243 5.073
50 HB2 HIS 6 HB2 HIS 6 4.785 -10.237 2.981
51 HB3 HIS 6 HB3 HIS 6 4.936 -10.550 4.711
52 HD1 HIS 6 HD1 HIS 6 2.469 -9.853 6.005
53 HD2 HIS 6 HD2 HIS 6 2.385 -11.225 2.071
54 HE1 HIS 6 HE1 HIS 6 0.112 -10.677 5.584
55 H GLY 7 H GLY 7 5.671 -6.261 3.981
56 HA2 GLY 7 HA2 GLY 7 7.693 -5.409 4.805
57 HA3 GLY 7 HA3 GLY 7 8.110 -7.019 5.387
58 H LYS 8 H LYS 8 7.076 -7.660 2.419
59 HA LYS 8 HA LYS 8 9.562 -6.947 1.018
60 HB2 LYS 8 HB2 LYS 8 8.529 -9.727 0.688
61 HB3 LYS 8 HB3 LYS 8 10.178 -9.115 0.548
62 HG2 LYS 8 HG2 LYS 8 10.178 -8.736 3.034
63 HG3 LYS 8 HG3 LYS 8 8.611 -9.545 3.105
64 HD2 LYS 8 HD2 LYS 8 10.886 -10.919 1.718
65 HD3 LYS 8 HD3 LYS 8 10.835 -10.923 3.481
66 HE2 LYS 8 HE2 LYS 8 8.674 -11.978 3.499
67 HE3 LYS 8 HE3 LYS 8 8.489 -11.756 1.759
68 HZ1 LYS 8 HZ1 LYS 8 10.240 -13.282 1.344
69 HZ2 LYS 8 HZ2 LYS 8 9.181 -14.026 2.444
70 HZ3 LYS 8 HZ3 LYS 8 10.651 -13.369 2.987
71 H VAL 9 H VAL 9 9.358 -6.776 -1.216
72 HA VAL 9 HA VAL 9 6.878 -6.008 -2.252
73 HB VAL 9 HB VAL 9 8.095 -6.445 -4.508
74 HG11 VAL 9 HG11 VAL 9 9.262 -4.582 -2.418
75 HG12 VAL 9 HG12 VAL 9 7.867 -4.234 -3.440
76 HG13 VAL 9 HG13 VAL 9 9.467 -4.420 -4.163
77 HG21 VAL 9 HG21 VAL 9 10.368 -6.995 -4.441
78 HG22 VAL 9 HG22 VAL 9 9.711 -8.035 -3.177
79 HG23 VAL 9 HG23 VAL 9 10.528 -6.533 -2.746
80 H VAL 10 H VAL 10 5.295 -7.572 -1.855
81 HA VAL 10 HA VAL 10 5.601 -10.086 -3.388
82 HB VAL 10 HB VAL 10 3.990 -11.082 -1.803
83 HG11 VAL 10 HG11 VAL 10 5.773 -11.692 -0.569
84 HG12 VAL 10 HG12 VAL 10 5.850 -10.101 0.185
85 HG13 VAL 10 HG13 VAL 10 6.688 -10.397 -1.339
86 HG21 VAL 10 HG21 VAL 10 2.826 -8.977 -1.199
87 HG22 VAL 10 HG22 VAL 10 4.273 -8.430 -0.352
88 HG23 VAL 10 HG23 VAL 10 3.386 -9.837 0.235
89 H THR 11 H THR 11 3.965 -10.718 -4.745
90 HA THR 11 HA THR 11 2.318 -8.723 -5.880
91 HB THR 11 HB THR 11 3.054 -10.692 -7.143
92 HG1 THR 11 HG1 THR 11 1.312 -10.242 -8.197
93 HG21 THR 11 HG21 THR 11 2.852 -12.782 -6.332
94 HG22 THR 11 HG22 THR 11 1.116 -12.575 -6.092
95 HG23 THR 11 HG23 THR 11 2.246 -12.073 -4.834
96 H CYS 12 H CYS 12 0.656 -7.792 -4.871
97 HA CYS 12 HA CYS 12 -0.723 -8.868 -2.664
98 HB2 CYS 12 HB2 CYS 12 -1.601 -6.730 -4.621
99 HB3 CYS 12 HB3 CYS 12 -2.350 -7.049 -3.056
100 H HIS 13 H HIS 13 -3.355 -8.755 -2.975
101 HA HIS 13 HA HIS 13 -4.012 -11.204 -4.230
102 HB2 HIS 13 HB2 HIS 13 -6.103 -9.144 -3.642
103 HB3 HIS 13 HB3 HIS 13 -6.138 -10.886 -3.375
104 HD1 HIS 13 HD1 HIS 13 -5.283 -7.691 -1.739
105 HD2 HIS 13 HD2 HIS 13 -4.541 -11.739 -1.073
106 HE1 HIS 13 HE1 HIS 13 -4.449 -7.883 0.644
107 H ARG 14 H ARG 14 -4.741 -11.673 -6.225
108 HA ARG 14 HA ARG 14 -4.319 -10.169 -8.446
109 HB2 ARG 14 HB2 ARG 14 -6.554 -12.144 -7.945
110 HB3 ARG 14 HB3 ARG 14 -6.162 -11.497 -9.538
111 HG2 ARG 14 HG2 ARG 14 -3.945 -12.442 -9.461
112 HG3 ARG 14 HG3 ARG 14 -4.143 -12.899 -7.767
113 HD2 ARG 14 HD2 ARG 14 -6.142 -14.309 -8.561
114 HD3 ARG 14 HD3 ARG 14 -5.515 -14.069 -10.188
115 HE ARG 14 HE ARG 14 -4.218 -15.601 -8.038
116 HH11 ARG 14 HH21 ARG 14 -4.257 -14.363 -11.273
117 HH12 ARG 14 HH22 ARG 14 -3.031 -15.443 -11.846
118 HH21 ARG 14 HH11 ARG 14 -2.607 -17.015 -8.786
119 HH22 ARG 14 HH12 ARG 14 -2.098 -16.942 -10.440
120 H ASP 15 H ASP 15 -6.929 -9.825 -6.168
121 HA ASP 15 HA ASP 15 -8.588 -8.181 -7.837
122 HB2 ASP 15 HB2 ASP 15 -8.948 -7.778 -4.980
123 HB3 ASP 15 HB3 ASP 15 -10.073 -8.429 -6.172
124 H MET 16 H MET 16 -6.489 -7.482 -5.027
125 HA MET 16 HA MET 16 -6.742 -4.672 -5.178
126 HB2 MET 16 HB2 MET 16 -4.773 -6.544 -3.910
127 HB3 MET 16 HB3 MET 16 -4.440 -4.815 -3.944
128 HG2 MET 16 HG2 MET 16 -5.594 -5.236 -1.886
129 HG3 MET 16 HG3 MET 16 -6.760 -4.466 -2.963
130 HE1 MET 16 HE1 MET 16 -7.587 -5.678 -0.537
131 HE2 MET 16 HE2 MET 16 -8.730 -6.999 -0.755
132 HE3 MET 16 HE3 MET 16 -8.981 -5.476 -1.605
133 H LYS 17 H LYS 17 -5.698 -3.156 -6.362
134 HA LYS 17 HA LYS 17 -3.460 -4.042 -8.072
135 HB2 LYS 17 HB2 LYS 17 -6.062 -3.232 -8.928
136 HB3 LYS 17 HB3 LYS 17 -4.909 -1.991 -9.419
137 HG2 LYS 17 HG2 LYS 17 -3.504 -3.671 -10.500
138 HG3 LYS 17 HG3 LYS 17 -4.567 -4.959 -9.937
139 HD2 LYS 17 HD2 LYS 17 -5.895 -2.777 -11.437
140 HD3 LYS 17 HD3 LYS 17 -4.800 -3.789 -12.378
141 HE2 LYS 17 HE2 LYS 17 -5.994 -5.804 -11.376
142 HE3 LYS 17 HE3 LYS 17 -7.201 -4.672 -10.764
143 HZ1 LYS 17 HZ1 LYS 17 -6.444 -5.098 -13.603
144 HZ2 LYS 17 HZ2 LYS 17 -7.507 -3.887 -13.063
145 HZ3 LYS 17 HZ3 LYS 17 -7.913 -5.525 -12.870
146 H PHE 18 H PHE 18 -4.597 -1.881 -5.766
147 HA PHE 18 HA PHE 18 -2.521 0.094 -6.501
148 HB2 PHE 18 HB2 PHE 18 -5.100 0.540 -4.987
149 HB3 PHE 18 HB3 PHE 18 -3.867 1.764 -5.276
150 HD1 PHE 18 HD2 PHE 18 -5.975 -0.721 -7.138
151 HD2 PHE 18 HD1 PHE 18 -4.012 3.100 -7.186
152 HE1 PHE 18 HE2 PHE 18 -6.964 -0.240 -9.362
153 HE2 PHE 18 HE1 PHE 18 -5.001 3.580 -9.409
154 HZ PHE 18 HZ PHE 18 -6.477 1.910 -10.498
155 H CYS 19 H CYS 19 -1.082 0.722 -4.964
156 HA CYS 19 HA CYS 19 -1.063 -0.848 -2.476
157 HB2 CYS 19 HB2 CYS 19 1.158 0.832 -3.665
158 HB3 CYS 19 HB3 CYS 19 1.295 -0.338 -2.352
159 H TYR 20 H TYR 20 -1.123 0.139 -0.477
160 HA TYR 20 HA TYR 20 -1.352 3.079 -0.513
161 HB2 TYR 20 HB2 TYR 20 -3.123 3.017 1.052
162 HB3 TYR 20 HB3 TYR 20 -3.522 1.799 -0.158
163 HD1 TYR 20 HD2 TYR 20 -3.284 -0.603 0.337
164 HD2 TYR 20 HD1 TYR 20 -2.450 2.393 3.298
165 HE1 TYR 20 HE2 TYR 20 -3.326 -2.341 2.107
166 HE2 TYR 20 HE1 TYR 20 -2.492 0.657 5.068
167 HH TYR 20 HH TYR 20 -2.077 -1.919 5.121
168 H HIS 21 H HIS 21 -0.540 4.228 1.150
169 HA HIS 21 HA HIS 21 1.186 2.759 3.055
170 HB2 HIS 21 HB2 HIS 21 2.235 4.280 1.196
171 HB3 HIS 21 HB3 HIS 21 1.707 5.601 2.239
172 HD1 HIS 21 HD1 HIS 21 4.711 4.172 1.653
173 HD2 HIS 21 HD2 HIS 21 2.474 4.329 5.167
174 HE1 HIS 21 HE1 HIS 21 6.343 3.822 3.558
175 H ASN 22 H ASN 22 -0.405 2.675 4.667
176 HA ASN 22 HA ASN 22 -1.817 5.039 5.499
177 HB2 ASN 22 HB2 ASN 22 -2.848 2.850 5.756
178 HB3 ASN 22 HB3 ASN 22 -1.529 2.323 6.795
179 HD21 ASN 22 HD21 ASN 22 -4.547 4.046 6.727
180 HD22 ASN 22 HD22 ASN 22 -4.554 4.505 8.361
181 H THR 23 H THR 23 -0.767 6.642 6.469
182 HA THR 23 HA THR 23 1.537 6.099 8.177
183 HB THR 23 HB THR 23 0.967 8.832 8.282
184 HG1 THR 23 HG1 THR 23 0.917 8.976 5.792
185 HG21 THR 23 HG21 THR 23 3.158 7.592 7.963
186 HG22 THR 23 HG22 THR 23 2.969 9.042 6.976
187 HG23 THR 23 HG23 THR 23 2.739 7.448 6.257
188 H GLY 24 H GLY 24 -1.802 6.394 8.488
189 HA2 GLY 24 HA2 GLY 24 -1.918 7.696 11.047
190 HA3 GLY 24 HA3 GLY 24 -3.225 6.813 10.265
191 H MET 25 H MET 25 -1.429 6.837 12.958
192 HA MET 25 HA MET 25 -1.971 4.030 13.511
193 HB2 MET 25 HB2 MET 25 0.398 3.750 14.414
194 HB3 MET 25 HB3 MET 25 0.229 3.746 12.659
195 HG2 MET 25 HG2 MET 25 0.852 6.124 12.580
196 HG3 MET 25 HG3 MET 25 0.993 6.154 14.338
197 HE1 MET 25 HE1 MET 25 3.308 7.208 12.739
198 HE2 MET 25 HE2 MET 25 4.687 6.408 13.490
199 HE3 MET 25 HE3 MET 25 3.348 6.964 14.491
200 HA PRO 26 HA PRO 26 -2.537 6.908 17.087
201 HB2 PRO 26 HB2 PRO 26 -5.114 6.216 17.636
202 HB3 PRO 26 HB3 PRO 26 -4.683 7.451 16.438
203 HG2 PRO 26 HG2 PRO 26 -5.533 4.637 16.032
204 HG3 PRO 26 HG3 PRO 26 -5.882 6.076 15.062
205 HD2 PRO 26 HD2 PRO 26 -3.965 4.174 14.414
206 HD3 PRO 26 HD3 PRO 26 -3.972 5.846 13.811
207 H PHE 27 H PHE 27 -3.540 3.534 16.674
208 HA PHE 27 HA PHE 27 -3.252 2.985 19.527
209 HB2 PHE 27 HB2 PHE 27 -4.857 1.914 17.552
210 HB3 PHE 27 HB3 PHE 27 -3.602 0.690 17.737
211 HD1 PHE 27 HD2 PHE 27 -2.890 0.425 20.391
212 HD2 PHE 27 HD1 PHE 27 -6.740 1.573 18.872
213 HE1 PHE 27 HE2 PHE 27 -3.951 -0.352 22.494
214 HE2 PHE 27 HE1 PHE 27 -7.802 0.796 20.974
215 HZ PHE 27 HZ PHE 27 -6.406 -0.166 22.786
216 H ARG 28 H ARG 28 -0.890 3.868 18.238
217 HA ARG 28 HA ARG 28 0.893 2.090 17.219
218 HB2 ARG 28 HB2 ARG 28 1.366 4.481 17.797
219 HB3 ARG 28 HB3 ARG 28 1.562 3.985 19.479
220 HG2 ARG 28 HG2 ARG 28 3.407 2.526 18.900
221 HG3 ARG 28 HG3 ARG 28 3.144 2.808 17.177
222 HD2 ARG 28 HD2 ARG 28 4.826 4.275 18.879
223 HD3 ARG 28 HD3 ARG 28 4.368 4.694 17.231
224 HE ARG 28 HE ARG 28 2.291 5.549 18.882
225 HH11 ARG 28 HH21 ARG 28 5.671 6.116 18.419
226 HH12 ARG 28 HH22 ARG 28 5.609 7.764 18.948
227 HH21 ARG 28 HH11 ARG 28 2.200 7.711 19.577
228 HH22 ARG 28 HH12 ARG 28 3.644 8.668 19.603
229 H ASN 29 H ASN 29 1.204 0.035 17.769
230 HA ASN 29 HA ASN 29 2.202 -0.632 20.390
231 HB2 ASN 29 HB2 ASN 29 -0.483 -0.664 20.310
232 HB3 ASN 29 HB3 ASN 29 -0.167 -2.275 19.666
233 HD21 ASN 29 HD21 ASN 29 1.366 -0.277 22.264
234 HD22 ASN 29 HD22 ASN 29 1.304 -1.506 23.433
235 H LEU 30 H LEU 30 3.938 -1.121 18.846
236 HA LEU 30 HA LEU 30 5.246 -2.674 17.761
237 HB2 LEU 30 HB2 LEU 30 3.707 -4.173 19.466
238 HB3 LEU 30 HB3 LEU 30 3.319 -4.890 17.901
239 HG LEU 30 HG LEU 30 5.797 -5.028 17.443
240 HD11 LEU 30 HD11 LEU 30 6.971 -5.051 19.895
241 HD12 LEU 30 HD12 LEU 30 5.795 -3.756 20.123
242 HD13 LEU 30 HD13 LEU 30 6.986 -3.649 18.826
243 HD21 LEU 30 HD21 LEU 30 4.198 -6.585 19.325
244 HD22 LEU 30 HD22 LEU 30 5.924 -6.715 19.666
245 HD23 LEU 30 HD23 LEU 30 5.304 -7.144 18.070
246 H LYS 31 H LYS 31 2.427 -1.480 16.714
247 HA LYS 31 HA LYS 31 2.455 -2.955 14.156
248 HB2 LYS 31 HB2 LYS 31 0.326 -1.482 15.665
249 HB3 LYS 31 HB3 LYS 31 0.207 -1.620 13.910
250 HG2 LYS 31 HG2 LYS 31 0.765 -4.048 15.605
251 HG3 LYS 31 HG3 LYS 31 -0.888 -3.479 15.364
252 HD2 LYS 31 HD2 LYS 31 -0.922 -4.095 13.165
253 HD3 LYS 31 HD3 LYS 31 0.771 -3.672 12.914
254 HE2 LYS 31 HE2 LYS 31 -0.243 -6.140 14.356
255 HE3 LYS 31 HE3 LYS 31 0.459 -6.105 12.739
256 HZ1 LYS 31 HZ1 LYS 31 1.755 -5.888 15.329
257 HZ2 LYS 31 HZ2 LYS 31 2.353 -4.858 14.117
258 HZ3 LYS 31 HZ3 LYS 31 2.336 -6.539 13.875
259 H LEU 32 H LEU 32 4.388 -1.690 13.571
260 HA LEU 32 HA LEU 32 3.890 1.145 13.001
261 HB2 LEU 32 HB2 LEU 32 6.461 -0.261 12.366
262 HB3 LEU 32 HB3 LEU 32 6.194 1.413 12.853
263 HG LEU 32 HG LEU 32 5.926 -1.039 14.616
264 HD11 LEU 32 HD11 LEU 32 7.856 1.302 14.614
265 HD12 LEU 32 HD12 LEU 32 8.245 -0.372 14.217
266 HD13 LEU 32 HD13 LEU 32 7.783 0.058 15.862
267 HD21 LEU 32 HD21 LEU 32 5.464 0.608 16.418
268 HD22 LEU 32 HD22 LEU 32 4.219 0.644 15.170
269 HD23 LEU 32 HD23 LEU 32 5.455 1.901 15.217
270 H ILE 33 H ILE 33 5.046 1.815 10.817
271 HA ILE 33 HA ILE 33 4.351 1.931 8.569
272 HB ILE 33 HB ILE 33 6.224 -0.346 9.054
273 HG12 ILE 33 HG12 ILE 33 6.706 2.233 8.926
274 HG13 ILE 33 HG13 ILE 33 7.798 1.110 8.113
275 HG21 ILE 33 HG21 ILE 33 4.698 0.209 6.529
276 HG22 ILE 33 HG22 ILE 33 5.181 -1.339 7.222
277 HG23 ILE 33 HG23 ILE 33 6.377 -0.321 6.418
278 HD11 ILE 33 HD11 ILE 33 6.917 3.172 6.781
279 HD12 ILE 33 HD12 ILE 33 5.424 2.245 6.651
280 HD13 ILE 33 HD13 ILE 33 6.924 1.596 5.990
281 H LEU 34 H LEU 34 2.176 1.669 8.262
282 HA LEU 34 HA LEU 34 1.094 -1.067 8.213
283 HB2 LEU 34 HB2 LEU 34 -0.057 1.645 8.629
284 HB3 LEU 34 HB3 LEU 34 -1.079 0.451 7.829
285 HG LEU 34 HG LEU 34 0.407 -0.367 10.295
286 HD11 LEU 34 HD11 LEU 34 -0.572 1.711 11.030
287 HD12 LEU 34 HD12 LEU 34 -1.608 0.411 11.621
288 HD13 LEU 34 HD13 LEU 34 -2.089 1.349 10.208
289 HD21 LEU 34 HD21 LEU 34 -2.442 -1.001 9.579
290 HD22 LEU 34 HD22 LEU 34 -1.261 -1.996 10.434
291 HD23 LEU 34 HD23 LEU 34 -1.135 -1.782 8.688
292 H GLN 35 H GLN 35 2.732 -0.766 6.146
293 HA GLN 35 HA GLN 35 1.357 0.295 3.825
294 HB2 GLN 35 HB2 GLN 35 3.966 0.059 4.375
295 HB3 GLN 35 HB3 GLN 35 3.731 -1.469 3.526
296 HG2 GLN 35 HG2 GLN 35 2.811 1.201 2.440
297 HG3 GLN 35 HG3 GLN 35 4.361 0.467 2.029
298 HE21 GLN 35 HE21 GLN 35 4.019 -2.028 1.336
299 HE22 GLN 35 HE22 GLN 35 2.753 -2.276 0.232
300 H GLY 36 H GLY 36 0.020 -0.789 2.543
301 HA2 GLY 36 HA2 GLY 36 0.271 -3.647 2.133
302 HA3 GLY 36 HA3 GLY 36 -1.187 -3.161 2.995
303 H CYS 37 H CYS 37 -2.061 -4.245 0.942
304 HA CYS 37 HA CYS 37 -2.190 -2.306 -1.280
305 HB2 CYS 37 HB2 CYS 37 -3.372 -4.954 -1.719
306 HB3 CYS 37 HB3 CYS 37 -2.242 -4.043 -2.721
307 H SER 38 H SER 38 -4.320 -2.169 -2.394
308 HA SER 38 HA SER 38 -6.700 -2.950 -1.000
309 HB2 SER 38 HB2 SER 38 -5.598 -0.831 0.204
310 HB3 SER 38 HB3 SER 38 -6.456 0.015 -1.080
311 HG SER 38 HG SER 38 -7.811 -0.249 0.699
312 H SER 39 H SER 39 -8.304 -3.090 -2.437
313 HA SER 39 HA SER 39 -7.896 -2.301 -5.155
314 HB2 SER 39 HB2 SER 39 -10.629 -2.989 -4.235
315 HB3 SER 39 HB3 SER 39 -9.717 -3.593 -5.615
316 HG SER 39 HG SER 39 -9.586 -4.347 -2.900
317 H SER 40 H SER 40 -8.846 -0.660 -6.323
318 HA SER 40 HA SER 40 -9.397 1.603 -6.494
319 HB2 SER 40 HB2 SER 40 -11.486 0.239 -6.858
320 HB3 SER 40 HB3 SER 40 -11.902 0.539 -5.172
321 HG SER 40 HG SER 40 -12.357 2.090 -7.240
322 H CYS 41 H CYS 41 -7.765 1.521 -4.388
323 HA CYS 41 HA CYS 41 -8.637 2.150 -1.849
324 HB2 CYS 41 HB2 CYS 41 -6.269 1.831 -2.454
325 HB3 CYS 41 HB3 CYS 41 -6.286 3.375 -3.307
326 H SER 42 H SER 42 -8.318 4.417 -0.825
327 HA SER 42 HA SER 42 -9.612 6.463 -2.519
328 HB2 SER 42 HB2 SER 42 -11.173 5.290 -0.858
329 HB3 SER 42 HB3 SER 42 -10.249 6.095 0.405
330 HG SER 42 HG SER 42 -12.040 7.344 -0.240
331 H GLU 43 H GLU 43 -7.439 7.295 -2.779
332 HA GLU 43 HA GLU 43 -5.502 7.976 -1.094
333 HB2 GLU 43 HB2 GLU 43 -5.740 8.767 -3.474
334 HB3 GLU 43 HB3 GLU 43 -6.757 10.075 -2.871
335 HG2 GLU 43 HG2 GLU 43 -4.182 9.710 -1.455
336 HG3 GLU 43 HG3 GLU 43 -4.058 10.268 -3.122
337 H THR 44 H THR 44 -5.397 8.766 0.895
338 HA THR 44 HA THR 44 -7.282 10.899 1.681
339 HB THR 44 HB THR 44 -6.439 9.091 3.843
340 HG1 THR 44 HG1 THR 44 -8.475 8.142 2.182
341 HG21 THR 44 HG21 THR 44 -8.918 9.288 4.313
342 HG22 THR 44 HG22 THR 44 -9.033 10.324 2.890
343 HG23 THR 44 HG23 THR 44 -8.051 10.824 4.268
344 H GLU 45 H GLU 45 -6.469 11.836 3.901
345 HA GLU 45 HA GLU 45 -3.858 12.908 3.404
346 HB2 GLU 45 HB2 GLU 45 -5.846 14.071 4.547
347 HB3 GLU 45 HB3 GLU 45 -5.382 13.172 5.992
348 HG2 GLU 45 HG2 GLU 45 -2.966 14.120 5.321
349 HG3 GLU 45 HG3 GLU 45 -3.954 15.386 4.595
350 H ASN 46 H ASN 46 -5.108 10.258 5.253
351 HA ASN 46 HA ASN 46 -2.473 9.900 6.541
352 HB2 ASN 46 HB2 ASN 46 -4.916 10.003 7.754
353 HB3 ASN 46 HB3 ASN 46 -4.736 8.271 7.493
354 HD21 ASN 46 HD21 ASN 46 -4.600 9.699 10.096
355 HD22 ASN 46 HD22 ASN 46 -3.056 9.379 10.724
356 H ASN 47 H ASN 47 -4.889 8.500 4.456
357 HA ASN 47 HA ASN 47 -3.183 6.103 4.140
358 HB2 ASN 47 HB2 ASN 47 -5.108 5.104 4.858
359 HB3 ASN 47 HB3 ASN 47 -6.127 6.438 4.322
360 HD21 ASN 47 HD21 ASN 47 -7.614 5.173 3.066
361 HD22 ASN 47 HD22 ASN 47 -7.142 4.326 1.673
362 H LYS 48 H LYS 48 -1.919 6.810 2.452
363 HA LYS 48 HA LYS 48 -3.166 7.987 0.090
364 HB2 LYS 48 HB2 LYS 48 -0.270 7.201 0.455
365 HB3 LYS 48 HB3 LYS 48 -0.938 8.349 -0.705
366 HG2 LYS 48 HG2 LYS 48 -0.844 10.023 0.799
367 HG3 LYS 48 HG3 LYS 48 -1.716 9.064 1.996
368 HD2 LYS 48 HD2 LYS 48 0.274 8.100 2.844
369 HD3 LYS 48 HD3 LYS 48 1.208 8.578 1.426
370 HE2 LYS 48 HE2 LYS 48 -0.034 10.549 3.365
371 HE3 LYS 48 HE3 LYS 48 1.641 10.005 3.456
372 HZ1 LYS 48 HZ1 LYS 48 1.667 10.717 0.975
373 HZ2 LYS 48 HZ2 LYS 48 1.836 11.889 2.193
374 HZ3 LYS 48 HZ3 LYS 48 0.338 11.673 1.419
375 H CYS 49 H CYS 49 -2.709 7.076 -2.077
376 HA CYS 49 HA CYS 49 -2.151 4.207 -2.133
377 HB2 CYS 49 HB2 CYS 49 -4.512 4.930 -3.728
378 HB3 CYS 49 HB3 CYS 49 -4.189 3.488 -2.764
379 H CYS 50 H CYS 50 -0.988 3.647 -3.829
380 HA CYS 50 HA CYS 50 -0.771 5.573 -6.062
381 HB2 CYS 50 HB2 CYS 50 1.475 5.023 -6.285
382 HB3 CYS 50 HB3 CYS 50 1.264 4.899 -4.538
383 H SER 51 H SER 51 0.352 4.073 -7.991
384 HA SER 51 HA SER 51 -1.312 1.675 -8.328
385 HB2 SER 51 HB2 SER 51 -2.238 2.364 -10.379
386 HB3 SER 51 HB3 SER 51 -2.389 3.786 -9.351
387 HG SER 51 HG SER 51 -0.140 3.329 -11.006
388 H THR 52 H THR 52 1.531 2.127 -7.828
389 HA THR 52 HA THR 52 2.614 0.899 -10.290
390 HB THR 52 HB THR 52 4.453 2.405 -8.507
391 HG1 THR 52 HG1 THR 52 3.859 4.325 -9.695
392 HG21 THR 52 HG21 THR 52 5.731 2.546 -10.418
393 HG22 THR 52 HG22 THR 52 4.325 2.665 -11.475
394 HG23 THR 52 HG23 THR 52 4.801 1.101 -10.815
395 H ASP 53 H ASP 53 5.042 0.108 -9.454
396 HA ASP 53 HA ASP 53 4.377 -1.922 -7.439
397 HB2 ASP 53 HB2 ASP 53 6.905 -2.510 -8.391
398 HB3 ASP 53 HB3 ASP 53 5.396 -3.213 -8.972
399 H ARG 54 H ARG 54 5.760 -2.362 -5.674
400 HA ARG 54 HA ARG 54 6.751 -1.485 -3.746
401 HB2 ARG 54 HB2 ARG 54 9.164 -1.214 -4.105
402 HB3 ARG 54 HB3 ARG 54 8.553 -2.607 -4.997
403 HG2 ARG 54 HG2 ARG 54 8.600 -1.436 -7.069
404 HG3 ARG 54 HG3 ARG 54 8.795 0.123 -6.268
405 HD2 ARG 54 HD2 ARG 54 11.037 -0.209 -5.855
406 HD3 ARG 54 HD3 ARG 54 10.866 -1.960 -5.751
407 HE ARG 54 HE ARG 54 11.214 -0.388 -8.198
408 HH11 ARG 54 HH21 ARG 54 10.551 -3.403 -6.640
409 HH12 ARG 54 HH22 ARG 54 10.928 -4.365 -8.031
410 HH21 ARG 54 HH11 ARG 54 11.707 -1.640 -10.029
411 HH22 ARG 54 HH12 ARG 54 11.583 -3.365 -9.952
412 H CYS 55 H CYS 55 5.113 0.487 -4.950
413 HA CYS 55 HA CYS 55 6.600 2.953 -5.166
414 HB2 CYS 55 HB2 CYS 55 4.536 3.971 -5.643
415 HB3 CYS 55 HB3 CYS 55 4.363 2.348 -6.309
416 H ASN 56 H ASN 56 4.667 1.306 -2.723
417 HA ASN 56 HA ASN 56 4.871 3.551 -0.882
418 HB2 ASN 56 HB2 ASN 56 3.756 0.771 -0.458
419 HB3 ASN 56 HB3 ASN 56 3.563 2.147 0.624
420 HD21 ASN 56 HD21 ASN 56 3.305 3.979 -1.837
421 HD22 ASN 56 HD22 ASN 56 1.711 3.729 -2.365
422 H LYS 57 H LYS 57 6.816 3.869 0.000
423 HA LYS 57 HA LYS 57 8.793 1.886 0.373
424 HB2 LYS 57 HB2 LYS 57 8.390 4.700 1.281
425 HB3 LYS 57 HB3 LYS 57 9.612 3.730 2.105
426 HG2 LYS 57 HG2 LYS 57 10.591 3.153 -0.124
427 HG3 LYS 57 HG3 LYS 57 9.439 4.258 -0.875
428 HD2 LYS 57 HD2 LYS 57 10.464 5.881 1.039
429 HD3 LYS 57 HD3 LYS 57 11.864 4.856 0.724
430 HE2 LYS 57 HE2 LYS 57 12.190 6.453 -0.914
431 HE3 LYS 57 HE3 LYS 57 11.180 5.318 -1.810
432 HZ1 LYS 57 HZ1 LYS 57 9.975 7.501 -0.233
433 HZ2 LYS 57 HZ2 LYS 57 9.310 6.632 -1.534
434 HZ3 LYS 57 HZ3 LYS 57 10.533 7.777 -1.810
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 2.224 -5.644 -11.765
2 H2 LEU 1 H2 LEU 1 1.799 -7.118 -11.037
3 H3 LEU 1 H3 LEU 1 3.237 -6.331 -10.590
4 HA LEU 1 HA LEU 1 1.751 -4.403 -9.879
5 HB2 LEU 1 HB2 LEU 1 -0.170 -6.173 -10.942
6 HB3 LEU 1 HB3 LEU 1 -0.389 -6.231 -9.192
7 HG LEU 1 HG LEU 1 -0.234 -3.677 -10.819
8 HD11 LEU 1 HD11 LEU 1 -2.301 -4.637 -11.420
9 HD12 LEU 1 HD12 LEU 1 -2.718 -3.599 -10.056
10 HD13 LEU 1 HD13 LEU 1 -2.543 -5.338 -9.819
11 HD21 LEU 1 HD21 LEU 1 -0.478 -2.531 -8.835
12 HD22 LEU 1 HD22 LEU 1 0.371 -3.946 -8.213
13 HD23 LEU 1 HD23 LEU 1 -1.384 -3.836 -8.072
14 H LYS 2 H LYS 2 3.125 -4.406 -8.155
15 HA LYS 2 HA LYS 2 2.482 -6.202 -5.953
16 HB2 LYS 2 HB2 LYS 2 4.719 -7.026 -5.645
17 HB3 LYS 2 HB3 LYS 2 4.247 -7.376 -7.308
18 HG2 LYS 2 HG2 LYS 2 5.367 -4.782 -7.353
19 HG3 LYS 2 HG3 LYS 2 6.443 -5.757 -6.352
20 HD2 LYS 2 HD2 LYS 2 5.444 -6.753 -9.024
21 HD3 LYS 2 HD3 LYS 2 6.890 -5.752 -8.891
22 HE2 LYS 2 HE2 LYS 2 8.120 -7.422 -7.951
23 HE3 LYS 2 HE3 LYS 2 6.763 -8.018 -6.995
24 HZ1 LYS 2 HZ1 LYS 2 7.768 -9.179 -9.241
25 HZ2 LYS 2 HZ2 LYS 2 6.379 -8.382 -9.808
26 HZ3 LYS 2 HZ3 LYS 2 6.258 -9.511 -8.545
27 H CYS 3 H CYS 3 3.396 -5.517 -3.935
28 HA CYS 3 HA CYS 3 4.801 -2.980 -3.810
29 HB2 CYS 3 HB2 CYS 3 2.499 -2.795 -2.058
30 HB3 CYS 3 HB3 CYS 3 3.088 -1.639 -3.254
31 H TYR 4 H TYR 4 4.207 -2.448 -1.093
32 HA TYR 4 HA TYR 4 5.626 -4.697 0.154
33 HB2 TYR 4 HB2 TYR 4 5.300 -1.794 0.842
34 HB3 TYR 4 HB3 TYR 4 5.817 -2.953 2.065
35 HD1 TYR 4 HD2 TYR 4 7.763 -4.562 1.372
36 HD2 TYR 4 HD1 TYR 4 6.894 -0.842 -0.584
37 HE1 TYR 4 HE2 TYR 4 10.067 -4.504 0.464
38 HE2 TYR 4 HE1 TYR 4 9.200 -0.780 -1.495
39 HH TYR 4 HH TYR 4 11.447 -1.748 -0.871
40 H GLN 5 H GLN 5 3.987 -6.142 0.553
41 HA GLN 5 HA GLN 5 1.659 -5.234 2.085
42 HB2 GLN 5 HB2 GLN 5 1.680 -6.917 0.050
43 HB3 GLN 5 HB3 GLN 5 2.063 -8.090 1.312
44 HG2 GLN 5 HG2 GLN 5 0.079 -7.312 2.598
45 HG3 GLN 5 HG3 GLN 5 -0.324 -6.221 1.274
46 HE21 GLN 5 HE21 GLN 5 0.708 -8.377 -0.690
47 HE22 GLN 5 HE22 GLN 5 -0.576 -9.486 -0.774
48 H HIS 6 H HIS 6 4.451 -7.394 2.387
49 HA HIS 6 HA HIS 6 3.847 -7.581 5.279
50 HB2 HIS 6 HB2 HIS 6 3.980 -9.692 3.430
51 HB3 HIS 6 HB3 HIS 6 5.494 -9.765 4.328
52 HD1 HIS 6 HD1 HIS 6 5.261 -9.883 6.999
53 HD2 HIS 6 HD2 HIS 6 1.736 -10.522 4.868
54 HE1 HIS 6 HE1 HIS 6 3.620 -10.922 8.624
55 H GLY 7 H GLY 7 5.375 -5.502 4.244
56 HA2 GLY 7 HA2 GLY 7 7.329 -4.428 4.897
57 HA3 GLY 7 HA3 GLY 7 7.861 -5.927 5.656
58 H LYS 8 H LYS 8 7.050 -7.130 2.875
59 HA LYS 8 HA LYS 8 9.555 -6.402 1.482
60 HB2 LYS 8 HB2 LYS 8 8.493 -9.134 1.079
61 HB3 LYS 8 HB3 LYS 8 10.161 -8.583 1.229
62 HG2 LYS 8 HG2 LYS 8 8.212 -8.762 3.543
63 HG3 LYS 8 HG3 LYS 8 9.411 -9.994 3.158
64 HD2 LYS 8 HD2 LYS 8 10.436 -7.216 3.354
65 HD3 LYS 8 HD3 LYS 8 9.899 -7.949 4.866
66 HE2 LYS 8 HE2 LYS 8 11.318 -9.963 4.286
67 HE3 LYS 8 HE3 LYS 8 11.978 -9.026 2.946
68 HZ1 LYS 8 HZ1 LYS 8 12.601 -8.888 5.719
69 HZ2 LYS 8 HZ2 LYS 8 12.137 -7.367 5.121
70 HZ3 LYS 8 HZ3 LYS 8 13.422 -8.212 4.398
71 H VAL 9 H VAL 9 9.509 -6.607 -0.816
72 HA VAL 9 HA VAL 9 7.069 -5.724 -1.991
73 HB VAL 9 HB VAL 9 9.610 -6.715 -3.305
74 HG11 VAL 9 HG11 VAL 9 7.764 -6.763 -4.879
75 HG12 VAL 9 HG12 VAL 9 8.752 -5.345 -5.232
76 HG13 VAL 9 HG13 VAL 9 7.229 -5.163 -4.363
77 HG21 VAL 9 HG21 VAL 9 10.027 -4.792 -1.859
78 HG22 VAL 9 HG22 VAL 9 8.643 -3.940 -2.544
79 HG23 VAL 9 HG23 VAL 9 10.061 -4.264 -3.542
80 H VAL 10 H VAL 10 5.396 -7.134 -2.000
81 HA VAL 10 HA VAL 10 5.873 -9.747 -3.306
82 HB VAL 10 HB VAL 10 4.425 -10.841 -1.815
83 HG11 VAL 10 HG11 VAL 10 6.660 -9.591 -0.873
84 HG12 VAL 10 HG12 VAL 10 5.687 -10.710 0.081
85 HG13 VAL 10 HG13 VAL 10 5.441 -8.971 0.242
86 HG21 VAL 10 HG21 VAL 10 2.531 -9.440 -1.705
87 HG22 VAL 10 HG22 VAL 10 3.477 -8.051 -1.171
88 HG23 VAL 10 HG23 VAL 10 3.168 -9.389 -0.062
89 H THR 11 H THR 11 4.140 -10.576 -4.565
90 HA THR 11 HA THR 11 2.667 -8.507 -5.944
91 HB THR 11 HB THR 11 3.598 -10.250 -7.300
92 HG1 THR 11 HG1 THR 11 1.165 -11.317 -7.522
93 HG21 THR 11 HG21 THR 11 2.838 -11.893 -5.072
94 HG22 THR 11 HG22 THR 11 3.862 -12.310 -6.446
95 HG23 THR 11 HG23 THR 11 2.118 -12.552 -6.540
96 H CYS 12 H CYS 12 0.904 -7.711 -4.959
97 HA CYS 12 HA CYS 12 -0.703 -9.120 -3.105
98 HB2 CYS 12 HB2 CYS 12 -1.634 -6.788 -4.783
99 HB3 CYS 12 HB3 CYS 12 -2.154 -7.236 -3.158
100 H HIS 13 H HIS 13 -2.960 -9.756 -3.387
101 HA HIS 13 HA HIS 13 -3.370 -11.617 -5.391
102 HB2 HIS 13 HB2 HIS 13 -5.022 -10.317 -3.352
103 HB3 HIS 13 HB3 HIS 13 -5.936 -10.814 -4.777
104 HD1 HIS 13 HD1 HIS 13 -3.800 -12.195 -1.998
105 HD2 HIS 13 HD2 HIS 13 -6.109 -13.615 -5.166
106 HE1 HIS 13 HE1 HIS 13 -4.002 -14.698 -1.671
107 H ARG 14 H ARG 14 -5.361 -11.509 -6.917
108 HA ARG 14 HA ARG 14 -4.758 -9.621 -8.956
109 HB2 ARG 14 HB2 ARG 14 -5.772 -11.979 -9.188
110 HB3 ARG 14 HB3 ARG 14 -7.312 -11.213 -8.802
111 HG2 ARG 14 HG2 ARG 14 -7.083 -9.695 -10.695
112 HG3 ARG 14 HG3 ARG 14 -5.475 -10.329 -11.046
113 HD2 ARG 14 HD2 ARG 14 -7.457 -11.255 -12.429
114 HD3 ARG 14 HD3 ARG 14 -6.316 -12.414 -11.753
115 HE ARG 14 HE ARG 14 -7.962 -13.059 -10.171
116 HH11 ARG 14 HH21 ARG 14 -8.971 -10.505 -12.278
117 HH12 ARG 14 HH22 ARG 14 -10.653 -10.673 -11.901
118 HH21 ARG 14 HH11 ARG 14 -10.165 -13.284 -9.673
119 HH22 ARG 14 HH12 ARG 14 -11.330 -12.248 -10.427
120 H ASP 15 H ASP 15 -7.385 -9.898 -6.592
121 HA ASP 15 HA ASP 15 -9.061 -7.870 -7.471
122 HB2 ASP 15 HB2 ASP 15 -8.812 -7.792 -4.592
123 HB3 ASP 15 HB3 ASP 15 -10.152 -8.371 -5.579
124 H MET 16 H MET 16 -6.371 -7.585 -5.137
125 HA MET 16 HA MET 16 -6.493 -4.811 -4.795
126 HB2 MET 16 HB2 MET 16 -4.139 -6.707 -4.650
127 HB3 MET 16 HB3 MET 16 -4.104 -5.036 -4.099
128 HG2 MET 16 HG2 MET 16 -5.268 -5.509 -2.210
129 HG3 MET 16 HG3 MET 16 -6.391 -6.566 -3.066
130 HE1 MET 16 HE1 MET 16 -6.275 -7.471 -0.732
131 HE2 MET 16 HE2 MET 16 -5.302 -8.883 -0.330
132 HE3 MET 16 HE3 MET 16 -6.453 -8.966 -1.661
133 H LYS 17 H LYS 17 -6.009 -3.163 -6.098
134 HA LYS 17 HA LYS 17 -4.234 -3.662 -8.407
135 HB2 LYS 17 HB2 LYS 17 -6.541 -1.743 -8.564
136 HB3 LYS 17 HB3 LYS 17 -5.665 -2.537 -9.874
137 HG2 LYS 17 HG2 LYS 17 -6.589 -4.734 -8.696
138 HG3 LYS 17 HG3 LYS 17 -7.823 -3.620 -8.107
139 HD2 LYS 17 HD2 LYS 17 -7.718 -2.882 -10.719
140 HD3 LYS 17 HD3 LYS 17 -7.320 -4.594 -10.859
141 HE2 LYS 17 HE2 LYS 17 -9.340 -5.074 -9.401
142 HE3 LYS 17 HE3 LYS 17 -9.781 -3.376 -9.585
143 HZ1 LYS 17 HZ1 LYS 17 -10.838 -4.108 -11.401
144 HZ2 LYS 17 HZ2 LYS 17 -9.933 -5.542 -11.493
145 HZ3 LYS 17 HZ3 LYS 17 -9.303 -4.094 -12.119
146 H PHE 18 H PHE 18 -4.654 -2.011 -5.586
147 HA PHE 18 HA PHE 18 -2.818 0.113 -6.469
148 HB2 PHE 18 HB2 PHE 18 -5.263 0.595 -4.754
149 HB3 PHE 18 HB3 PHE 18 -4.065 1.799 -5.223
150 HD1 PHE 18 HD2 PHE 18 -6.811 -0.360 -6.412
151 HD2 PHE 18 HD1 PHE 18 -3.974 2.682 -7.483
152 HE1 PHE 18 HE2 PHE 18 -8.040 0.039 -8.529
153 HE2 PHE 18 HE1 PHE 18 -5.203 3.081 -9.601
154 HZ PHE 18 HZ PHE 18 -7.236 1.760 -10.123
155 H CYS 19 H CYS 19 -1.269 0.645 -5.013
156 HA CYS 19 HA CYS 19 -1.202 -0.925 -2.523
157 HB2 CYS 19 HB2 CYS 19 1.104 0.672 -3.613
158 HB3 CYS 19 HB3 CYS 19 1.138 -0.759 -2.585
159 H TYR 20 H TYR 20 -1.179 0.083 -0.536
160 HA TYR 20 HA TYR 20 -1.266 3.037 -0.600
161 HB2 TYR 20 HB2 TYR 20 -2.872 2.984 1.213
162 HB3 TYR 20 HB3 TYR 20 -3.466 2.014 -0.127
163 HD1 TYR 20 HD2 TYR 20 -1.870 1.866 3.220
164 HD2 TYR 20 HD1 TYR 20 -3.793 -0.347 0.082
165 HE1 TYR 20 HE2 TYR 20 -2.064 -0.097 4.723
166 HE2 TYR 20 HE1 TYR 20 -3.991 -2.310 1.585
167 HH TYR 20 HH TYR 20 -3.394 -2.099 4.961
168 H HIS 21 H HIS 21 -0.268 4.179 0.991
169 HA HIS 21 HA HIS 21 1.487 2.648 2.818
170 HB2 HIS 21 HB2 HIS 21 2.509 4.036 0.839
171 HB3 HIS 21 HB3 HIS 21 2.148 5.419 1.871
172 HD1 HIS 21 HD1 HIS 21 3.010 2.249 3.592
173 HD2 HIS 21 HD2 HIS 21 5.007 5.686 2.332
174 HE1 HIS 21 HE1 HIS 21 5.263 2.234 4.749
175 H ASN 22 H ASN 22 0.663 2.822 4.815
176 HA ASN 22 HA ASN 22 -0.976 5.069 5.582
177 HB2 ASN 22 HB2 ASN 22 -1.606 2.945 6.462
178 HB3 ASN 22 HB3 ASN 22 0.022 2.641 7.069
179 HD21 ASN 22 HD21 ASN 22 0.789 4.178 8.843
180 HD22 ASN 22 HD22 ASN 22 -0.373 4.809 9.908
181 H THR 23 H THR 23 -0.529 6.663 7.050
182 HA THR 23 HA THR 23 2.300 6.937 7.872
183 HB THR 23 HB THR 23 1.073 9.490 7.832
184 HG1 THR 23 HG1 THR 23 -0.466 8.680 6.424
185 HG21 THR 23 HG21 THR 23 3.394 9.278 7.420
186 HG22 THR 23 HG22 THR 23 2.716 9.757 5.863
187 HG23 THR 23 HG23 THR 23 3.144 8.071 6.158
188 H GLY 24 H GLY 24 -1.034 6.984 8.758
189 HA2 GLY 24 HA2 GLY 24 -2.083 7.098 10.805
190 HA3 GLY 24 HA3 GLY 24 -0.505 6.810 11.529
191 H MET 25 H MET 25 -1.126 8.294 13.213
192 HA MET 25 HA MET 25 -1.000 11.133 12.389
193 HB2 MET 25 HB2 MET 25 -3.140 10.406 13.477
194 HB3 MET 25 HB3 MET 25 -2.211 10.023 14.927
195 HG2 MET 25 HG2 MET 25 -2.769 12.194 15.447
196 HG3 MET 25 HG3 MET 25 -1.306 12.516 14.518
197 HE1 MET 25 HE1 MET 25 -3.487 15.433 13.540
198 HE2 MET 25 HE2 MET 25 -2.485 14.724 14.805
199 HE3 MET 25 HE3 MET 25 -4.238 14.556 14.882
200 HA PRO 26 HA PRO 26 2.811 10.488 14.803
201 HB2 PRO 26 HB2 PRO 26 4.353 12.229 13.402
202 HB3 PRO 26 HB3 PRO 26 4.018 10.581 12.837
203 HG2 PRO 26 HG2 PRO 26 2.861 13.159 11.943
204 HG3 PRO 26 HG3 PRO 26 3.217 11.694 11.015
205 HD2 PRO 26 HD2 PRO 26 0.685 12.443 11.940
206 HD3 PRO 26 HD3 PRO 26 1.145 10.808 11.416
207 H PHE 27 H PHE 27 1.466 11.591 16.495
208 HA PHE 27 HA PHE 27 2.403 14.367 16.883
209 HB2 PHE 27 HB2 PHE 27 0.013 14.369 16.238
210 HB3 PHE 27 HB3 PHE 27 -0.340 13.305 17.600
211 HD1 PHE 27 HD1 PHE 27 0.965 16.665 16.674
212 HD2 PHE 27 HD2 PHE 27 -0.524 14.153 19.823
213 HE1 PHE 27 HE1 PHE 27 0.825 18.632 18.177
214 HE2 PHE 27 HE2 PHE 27 -0.664 16.121 21.326
215 HZ PHE 27 HZ PHE 27 0.010 18.360 20.502
216 H ARG 28 H ARG 28 4.089 13.051 18.055
217 HA ARG 28 HA ARG 28 5.050 12.423 20.044
218 HB2 ARG 28 HB2 ARG 28 4.015 14.495 20.888
219 HB3 ARG 28 HB3 ARG 28 2.529 13.610 21.232
220 HG2 ARG 28 HG2 ARG 28 3.358 12.834 23.177
221 HG3 ARG 28 HG3 ARG 28 4.821 12.252 22.381
222 HD2 ARG 28 HD2 ARG 28 4.423 15.179 22.990
223 HD3 ARG 28 HD3 ARG 28 5.097 14.077 24.188
224 HE ARG 28 HE ARG 28 6.369 14.111 21.549
225 HH11 ARG 28 HH21 ARG 28 6.326 15.081 24.871
226 HH12 ARG 28 HH22 ARG 28 8.009 15.485 24.918
227 HH21 ARG 28 HH11 ARG 28 8.578 14.637 21.603
228 HH22 ARG 28 HH12 ARG 28 9.285 15.232 23.068
229 H ASN 29 H ASN 29 3.726 10.440 18.636
230 HA ASN 29 HA ASN 29 2.817 8.710 20.840
231 HB2 ASN 29 HB2 ASN 29 1.078 7.751 19.358
232 HB3 ASN 29 HB3 ASN 29 0.789 9.453 19.715
233 HD21 ASN 29 HD21 ASN 29 1.451 7.164 17.160
234 HD22 ASN 29 HD22 ASN 29 1.458 8.289 15.889
235 H LEU 30 H LEU 30 2.323 6.436 19.337
236 HA LEU 30 HA LEU 30 5.052 5.686 18.605
237 HB2 LEU 30 HB2 LEU 30 2.842 3.706 18.462
238 HB3 LEU 30 HB3 LEU 30 4.470 3.537 19.120
239 HG LEU 30 HG LEU 30 2.258 5.144 20.434
240 HD11 LEU 30 HD11 LEU 30 3.365 2.472 21.319
241 HD12 LEU 30 HD12 LEU 30 1.925 2.609 20.310
242 HD13 LEU 30 HD13 LEU 30 1.938 3.310 21.928
243 HD21 LEU 30 HD21 LEU 30 5.094 4.406 21.166
244 HD22 LEU 30 HD22 LEU 30 3.910 4.825 22.405
245 HD23 LEU 30 HD23 LEU 30 4.342 6.001 21.165
246 H LYS 31 H LYS 31 5.690 5.833 16.561
247 HA LYS 31 HA LYS 31 3.820 6.149 14.395
248 HB2 LYS 31 HB2 LYS 31 5.932 7.338 14.315
249 HB3 LYS 31 HB3 LYS 31 6.829 5.824 14.430
250 HG2 LYS 31 HG2 LYS 31 6.542 5.349 12.229
251 HG3 LYS 31 HG3 LYS 31 4.857 5.875 12.244
252 HD2 LYS 31 HD2 LYS 31 5.554 8.217 12.136
253 HD3 LYS 31 HD3 LYS 31 7.250 7.738 12.215
254 HE2 LYS 31 HE2 LYS 31 5.860 8.143 9.884
255 HE3 LYS 31 HE3 LYS 31 7.310 7.148 10.022
256 HZ1 LYS 31 HZ1 LYS 31 4.484 6.277 10.057
257 HZ2 LYS 31 HZ2 LYS 31 5.737 5.281 10.628
258 HZ3 LYS 31 HZ3 LYS 31 5.723 5.789 9.006
259 H LEU 32 H LEU 32 2.618 4.317 14.067
260 HA LEU 32 HA LEU 32 3.980 1.738 13.817
261 HB2 LEU 32 HB2 LEU 32 1.084 2.569 13.900
262 HB3 LEU 32 HB3 LEU 32 1.575 0.930 13.465
263 HG LEU 32 HG LEU 32 2.507 2.297 15.998
264 HD11 LEU 32 HD11 LEU 32 0.050 0.634 15.450
265 HD12 LEU 32 HD12 LEU 32 0.165 2.172 16.305
266 HD13 LEU 32 HD13 LEU 32 0.777 0.697 17.056
267 HD21 LEU 32 HD21 LEU 32 2.445 -0.442 16.366
268 HD22 LEU 32 HD22 LEU 32 3.881 0.490 15.940
269 HD23 LEU 32 HD23 LEU 32 2.931 -0.295 14.677
270 H ILE 33 H ILE 33 3.601 0.373 11.952
271 HA ILE 33 HA ILE 33 3.420 1.967 9.475
272 HB ILE 33 HB ILE 33 4.683 -0.755 9.834
273 HG12 ILE 33 HG12 ILE 33 5.883 0.848 11.222
274 HG13 ILE 33 HG13 ILE 33 6.836 0.533 9.771
275 HG21 ILE 33 HG21 ILE 33 5.547 -0.438 7.660
276 HG22 ILE 33 HG22 ILE 33 5.220 1.295 7.687
277 HG23 ILE 33 HG23 ILE 33 3.888 0.148 7.534
278 HD11 ILE 33 HD11 ILE 33 5.633 2.583 8.763
279 HD12 ILE 33 HD12 ILE 33 6.872 2.889 9.979
280 HD13 ILE 33 HD13 ILE 33 5.166 2.960 10.421
281 H LEU 34 H LEU 34 1.705 1.689 8.231
282 HA LEU 34 HA LEU 34 0.266 -0.890 8.340
283 HB2 LEU 34 HB2 LEU 34 -0.703 1.751 9.012
284 HB3 LEU 34 HB3 LEU 34 -1.605 1.098 7.647
285 HG LEU 34 HG LEU 34 -1.064 -0.638 10.042
286 HD11 LEU 34 HD11 LEU 34 -2.937 1.679 9.835
287 HD12 LEU 34 HD12 LEU 34 -2.099 1.035 11.247
288 HD13 LEU 34 HD13 LEU 34 -3.528 0.213 10.618
289 HD21 LEU 34 HD21 LEU 34 -2.026 -1.520 7.879
290 HD22 LEU 34 HD22 LEU 34 -3.416 -0.465 8.135
291 HD23 LEU 34 HD23 LEU 34 -3.071 -1.761 9.279
292 H GLN 35 H GLN 35 1.778 -1.236 6.478
293 HA GLN 35 HA GLN 35 0.850 0.089 4.014
294 HB2 GLN 35 HB2 GLN 35 2.931 -0.941 3.023
295 HB3 GLN 35 HB3 GLN 35 3.226 0.260 4.281
296 HG2 GLN 35 HG2 GLN 35 3.487 -1.542 5.944
297 HG3 GLN 35 HG3 GLN 35 3.197 -2.744 4.688
298 HE21 GLN 35 HE21 GLN 35 4.827 -0.414 3.052
299 HE22 GLN 35 HE22 GLN 35 6.423 -0.936 3.295
300 H GLY 36 H GLY 36 -0.196 -1.016 2.468
301 HA2 GLY 36 HA2 GLY 36 -0.013 -3.838 2.094
302 HA3 GLY 36 HA3 GLY 36 -1.501 -3.412 2.931
303 H CYS 37 H CYS 37 -1.988 -4.561 0.638
304 HA CYS 37 HA CYS 37 -2.313 -2.440 -1.387
305 HB2 CYS 37 HB2 CYS 37 -3.086 -5.159 -2.162
306 HB3 CYS 37 HB3 CYS 37 -2.028 -4.014 -2.982
307 H SER 38 H SER 38 -4.369 -2.462 -2.602
308 HA SER 38 HA SER 38 -6.687 -3.723 -1.494
309 HB2 SER 38 HB2 SER 38 -5.923 -1.571 -0.019
310 HB3 SER 38 HB3 SER 38 -6.973 -0.798 -1.203
311 HG SER 38 HG SER 38 -7.808 -3.188 -0.013
312 H SER 39 H SER 39 -8.670 -3.056 -2.606
313 HA SER 39 HA SER 39 -8.112 -2.415 -5.387
314 HB2 SER 39 HB2 SER 39 -10.252 -3.730 -3.886
315 HB3 SER 39 HB3 SER 39 -10.853 -2.654 -5.144
316 HG SER 39 HG SER 39 -8.722 -4.084 -5.998
317 H SER 40 H SER 40 -10.768 -1.328 -3.278
318 HA SER 40 HA SER 40 -10.832 1.239 -4.635
319 HB2 SER 40 HB2 SER 40 -12.886 1.578 -3.575
320 HB3 SER 40 HB3 SER 40 -12.846 -0.172 -3.763
321 HG SER 40 HG SER 40 -13.299 0.943 -1.578
322 H CYS 41 H CYS 41 -8.420 1.215 -3.608
323 HA CYS 41 HA CYS 41 -7.936 1.864 -0.968
324 HB2 CYS 41 HB2 CYS 41 -6.230 1.550 -2.813
325 HB3 CYS 41 HB3 CYS 41 -6.564 3.212 -3.299
326 H SER 42 H SER 42 -7.880 3.756 0.233
327 HA SER 42 HA SER 42 -9.490 5.976 -0.871
328 HB2 SER 42 HB2 SER 42 -9.826 4.509 1.480
329 HB3 SER 42 HB3 SER 42 -9.114 6.028 2.012
330 HG SER 42 HG SER 42 -11.590 5.644 1.447
331 H GLU 43 H GLU 43 -7.614 6.907 -1.877
332 HA GLU 43 HA GLU 43 -5.201 7.546 -0.684
333 HB2 GLU 43 HB2 GLU 43 -6.029 7.937 -3.112
334 HB3 GLU 43 HB3 GLU 43 -6.586 9.495 -2.504
335 HG2 GLU 43 HG2 GLU 43 -4.250 9.853 -1.585
336 HG3 GLU 43 HG3 GLU 43 -3.757 8.421 -2.489
337 H THR 44 H THR 44 -4.858 8.537 1.193
338 HA THR 44 HA THR 44 -6.104 11.127 1.700
339 HB THR 44 HB THR 44 -6.637 10.334 4.089
340 HG1 THR 44 HG1 THR 44 -7.294 7.922 3.628
341 HG21 THR 44 HG21 THR 44 -8.859 9.626 3.430
342 HG22 THR 44 HG22 THR 44 -8.280 9.165 1.828
343 HG23 THR 44 HG23 THR 44 -8.314 10.865 2.299
344 H GLU 45 H GLU 45 -5.028 12.319 3.400
345 HA GLU 45 HA GLU 45 -2.271 12.248 3.332
346 HB2 GLU 45 HB2 GLU 45 -2.304 13.912 4.936
347 HB3 GLU 45 HB3 GLU 45 -3.967 13.998 4.351
348 HG2 GLU 45 HG2 GLU 45 -4.608 12.398 6.195
349 HG3 GLU 45 HG3 GLU 45 -2.973 12.573 6.832
350 H ASN 46 H ASN 46 -4.452 10.656 5.624
351 HA ASN 46 HA ASN 46 -2.372 9.611 7.287
352 HB2 ASN 46 HB2 ASN 46 -4.966 9.909 7.712
353 HB3 ASN 46 HB3 ASN 46 -5.036 8.272 7.064
354 HD21 ASN 46 HD21 ASN 46 -5.741 7.787 9.411
355 HD22 ASN 46 HD22 ASN 46 -4.512 7.508 10.548
356 H ASN 47 H ASN 47 -4.323 8.300 4.629
357 HA ASN 47 HA ASN 47 -2.290 6.196 4.282
358 HB2 ASN 47 HB2 ASN 47 -3.944 4.869 5.187
359 HB3 ASN 47 HB3 ASN 47 -5.245 5.895 4.587
360 HD21 ASN 47 HD21 ASN 47 -3.527 3.001 3.984
361 HD22 ASN 47 HD22 ASN 47 -4.078 2.729 2.402
362 H LYS 48 H LYS 48 -1.345 6.635 2.417
363 HA LYS 48 HA LYS 48 -2.728 8.033 0.290
364 HB2 LYS 48 HB2 LYS 48 0.060 6.881 0.505
365 HB3 LYS 48 HB3 LYS 48 -0.536 7.750 -0.909
366 HG2 LYS 48 HG2 LYS 48 -0.840 9.023 1.786
367 HG3 LYS 48 HG3 LYS 48 0.748 9.040 1.019
368 HD2 LYS 48 HD2 LYS 48 -1.552 9.788 -0.710
369 HD3 LYS 48 HD3 LYS 48 -1.112 10.941 0.552
370 HE2 LYS 48 HE2 LYS 48 0.952 11.384 -0.375
371 HE3 LYS 48 HE3 LYS 48 1.102 9.772 -1.074
372 HZ1 LYS 48 HZ1 LYS 48 0.299 10.524 -2.976
373 HZ2 LYS 48 HZ2 LYS 48 0.264 12.097 -2.337
374 HZ3 LYS 48 HZ3 LYS 48 -1.104 11.098 -2.218
375 H CYS 49 H CYS 49 -2.274 7.128 -2.015
376 HA CYS 49 HA CYS 49 -2.681 4.223 -2.147
377 HB2 CYS 49 HB2 CYS 49 -4.534 6.249 -3.425
378 HB3 CYS 49 HB3 CYS 49 -4.598 4.505 -3.671
379 H CYS 50 H CYS 50 -1.502 3.358 -3.742
380 HA CYS 50 HA CYS 50 -0.685 5.107 -5.980
381 HB2 CYS 50 HB2 CYS 50 1.080 4.409 -4.123
382 HB3 CYS 50 HB3 CYS 50 1.125 2.918 -5.065
383 H SER 51 H SER 51 0.152 3.757 -7.862
384 HA SER 51 HA SER 51 -1.237 1.173 -8.082
385 HB2 SER 51 HB2 SER 51 -2.486 3.300 -9.073
386 HB3 SER 51 HB3 SER 51 -1.374 3.032 -10.412
387 HG SER 51 HG SER 51 -2.137 0.881 -10.502
388 H THR 52 H THR 52 1.582 2.025 -7.803
389 HA THR 52 HA THR 52 2.618 0.921 -10.347
390 HB THR 52 HB THR 52 4.344 2.608 -8.584
391 HG1 THR 52 HG1 THR 52 2.039 3.421 -9.668
392 HG21 THR 52 HG21 THR 52 4.080 2.134 -11.565
393 HG22 THR 52 HG22 THR 52 5.345 1.513 -10.505
394 HG23 THR 52 HG23 THR 52 5.243 3.242 -10.836
395 H ASP 53 H ASP 53 4.690 -0.248 -10.106
396 HA ASP 53 HA ASP 53 4.509 -2.136 -7.939
397 HB2 ASP 53 HB2 ASP 53 6.288 -3.307 -9.054
398 HB3 ASP 53 HB3 ASP 53 5.170 -2.730 -10.288
399 H ARG 54 H ARG 54 5.443 -1.968 -6.025
400 HA ARG 54 HA ARG 54 6.910 -1.407 -4.352
401 HB2 ARG 54 HB2 ARG 54 8.573 -2.184 -6.156
402 HB3 ARG 54 HB3 ARG 54 8.853 -0.468 -6.451
403 HG2 ARG 54 HG2 ARG 54 9.037 -0.502 -3.750
404 HG3 ARG 54 HG3 ARG 54 9.607 -2.132 -4.111
405 HD2 ARG 54 HD2 ARG 54 11.067 -0.926 -5.926
406 HD3 ARG 54 HD3 ARG 54 10.776 0.506 -4.944
407 HE ARG 54 HE ARG 54 12.273 -0.349 -3.400
408 HH11 ARG 54 HH21 ARG 54 11.030 -2.865 -5.419
409 HH12 ARG 54 HH22 ARG 54 12.041 -4.098 -4.744
410 HH21 ARG 54 HH11 ARG 54 13.608 -1.960 -2.508
411 HH22 ARG 54 HH12 ARG 54 13.500 -3.586 -3.094
412 H CYS 55 H CYS 55 5.018 0.538 -5.552
413 HA CYS 55 HA CYS 55 6.067 3.105 -5.782
414 HB2 CYS 55 HB2 CYS 55 3.633 2.288 -6.098
415 HB3 CYS 55 HB3 CYS 55 3.462 2.584 -4.368
416 H ASN 56 H ASN 56 4.604 1.695 -2.837
417 HA ASN 56 HA ASN 56 5.496 3.742 -1.104
418 HB2 ASN 56 HB2 ASN 56 3.768 2.485 -0.202
419 HB3 ASN 56 HB3 ASN 56 4.462 0.955 -0.736
420 HD21 ASN 56 HD21 ASN 56 6.111 3.580 1.077
421 HD22 ASN 56 HD22 ASN 56 6.453 2.624 2.439
422 H LYS 57 H LYS 57 7.424 4.134 -0.231
423 HA LYS 57 HA LYS 57 9.426 1.961 -0.168
424 HB2 LYS 57 HB2 LYS 57 9.783 3.601 -2.070
425 HB3 LYS 57 HB3 LYS 57 10.070 4.835 -0.844
426 HG2 LYS 57 HG2 LYS 57 11.896 3.468 0.105
427 HG3 LYS 57 HG3 LYS 57 11.616 2.243 -1.133
428 HD2 LYS 57 HD2 LYS 57 11.897 4.326 -2.764
429 HD3 LYS 57 HD3 LYS 57 12.816 4.969 -1.404
430 HE2 LYS 57 HE2 LYS 57 13.420 2.646 -3.171
431 HE3 LYS 57 HE3 LYS 57 14.515 3.825 -2.449
432 HZ1 LYS 57 HZ1 LYS 57 13.788 2.706 -0.252
433 HZ2 LYS 57 HZ2 LYS 57 14.951 1.944 -1.229
434 HZ3 LYS 57 HZ3 LYS 57 13.338 1.411 -1.249
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 4.052 -5.574 -10.527
2 H2 LEU 1 H2 LEU 1 2.952 -6.095 -11.714
3 H3 LEU 1 H3 LEU 1 3.573 -7.201 -10.582
4 HA LEU 1 HA LEU 1 1.964 -4.849 -9.783
5 HB2 LEU 1 HB2 LEU 1 1.048 -7.029 -11.296
6 HB3 LEU 1 HB3 LEU 1 0.591 -7.406 -9.634
7 HG LEU 1 HG LEU 1 -0.399 -5.115 -9.441
8 HD11 LEU 1 HD11 LEU 1 0.264 -3.611 -10.989
9 HD12 LEU 1 HD12 LEU 1 -0.812 -4.433 -12.120
10 HD13 LEU 1 HD13 LEU 1 0.893 -4.878 -12.043
11 HD21 LEU 1 HD21 LEU 1 -2.186 -6.451 -9.886
12 HD22 LEU 1 HD22 LEU 1 -1.341 -7.295 -11.183
13 HD23 LEU 1 HD23 LEU 1 -2.117 -5.744 -11.501
14 H LYS 2 H LYS 2 3.174 -4.608 -7.900
15 HA LYS 2 HA LYS 2 2.552 -6.384 -5.753
16 HB2 LYS 2 HB2 LYS 2 4.673 -7.319 -5.295
17 HB3 LYS 2 HB3 LYS 2 4.425 -7.583 -7.020
18 HG2 LYS 2 HG2 LYS 2 5.593 -5.072 -6.942
19 HG3 LYS 2 HG3 LYS 2 6.433 -5.939 -5.656
20 HD2 LYS 2 HD2 LYS 2 7.065 -7.711 -7.176
21 HD3 LYS 2 HD3 LYS 2 6.068 -7.026 -8.460
22 HE2 LYS 2 HE2 LYS 2 7.473 -5.060 -8.592
23 HE3 LYS 2 HE3 LYS 2 8.391 -5.567 -7.176
24 HZ1 LYS 2 HZ1 LYS 2 9.192 -7.470 -8.375
25 HZ2 LYS 2 HZ2 LYS 2 9.524 -6.069 -9.277
26 HZ3 LYS 2 HZ3 LYS 2 8.236 -7.084 -9.723
27 H CYS 3 H CYS 3 3.312 -5.604 -3.712
28 HA CYS 3 HA CYS 3 4.725 -3.050 -3.666
29 HB2 CYS 3 HB2 CYS 3 2.332 -2.954 -1.981
30 HB3 CYS 3 HB3 CYS 3 3.006 -1.730 -3.057
31 H TYR 4 H TYR 4 5.325 -2.418 -1.473
32 HA TYR 4 HA TYR 4 6.270 -4.633 0.028
33 HB2 TYR 4 HB2 TYR 4 6.269 -1.662 0.417
34 HB3 TYR 4 HB3 TYR 4 6.818 -2.732 1.709
35 HD1 TYR 4 HD2 TYR 4 8.502 -4.612 0.988
36 HD2 TYR 4 HD1 TYR 4 7.771 -1.025 -1.252
37 HE1 TYR 4 HE2 TYR 4 10.668 -4.900 -0.175
38 HE2 TYR 4 HE1 TYR 4 9.937 -1.309 -2.421
39 HH TYR 4 HH TYR 4 11.942 -2.423 -2.332
40 H GLN 5 H GLN 5 4.423 -5.823 0.557
41 HA GLN 5 HA GLN 5 2.342 -4.659 2.200
42 HB2 GLN 5 HB2 GLN 5 2.199 -6.672 0.510
43 HB3 GLN 5 HB3 GLN 5 2.738 -7.615 1.896
44 HG2 GLN 5 HG2 GLN 5 0.730 -5.935 2.911
45 HG3 GLN 5 HG3 GLN 5 0.115 -6.497 1.357
46 HE21 GLN 5 HE21 GLN 5 1.253 -7.595 4.546
47 HE22 GLN 5 HE22 GLN 5 0.605 -9.159 4.420
48 H HIS 6 H HIS 6 4.807 -7.196 2.687
49 HA HIS 6 HA HIS 6 4.693 -6.615 5.587
50 HB2 HIS 6 HB2 HIS 6 5.064 -9.161 4.052
51 HB3 HIS 6 HB3 HIS 6 5.812 -8.999 5.641
52 HD1 HIS 6 HD1 HIS 6 2.934 -6.954 5.829
53 HD2 HIS 6 HD2 HIS 6 3.516 -11.081 5.938
54 HE1 HIS 6 HE1 HIS 6 0.862 -7.943 6.898
55 H GLY 7 H GLY 7 6.216 -4.914 4.163
56 HA2 GLY 7 HA2 GLY 7 8.333 -3.999 4.176
57 HA3 GLY 7 HA3 GLY 7 8.825 -5.310 5.245
58 H LYS 8 H LYS 8 7.344 -6.536 2.508
59 HA LYS 8 HA LYS 8 9.821 -6.682 0.940
60 HB2 LYS 8 HB2 LYS 8 8.613 -9.268 0.904
61 HB3 LYS 8 HB3 LYS 8 10.221 -8.819 1.471
62 HG2 LYS 8 HG2 LYS 8 9.219 -8.160 3.664
63 HG3 LYS 8 HG3 LYS 8 7.661 -8.756 3.091
64 HD2 LYS 8 HD2 LYS 8 9.959 -10.622 2.828
65 HD3 LYS 8 HD3 LYS 8 9.394 -10.302 4.469
66 HE2 LYS 8 HE2 LYS 8 7.328 -11.262 4.096
67 HE3 LYS 8 HE3 LYS 8 7.337 -10.869 2.377
68 HZ1 LYS 8 HZ1 LYS 8 7.703 -13.298 3.132
69 HZ2 LYS 8 HZ2 LYS 8 9.292 -12.788 3.450
70 HZ3 LYS 8 HZ3 LYS 8 8.656 -12.666 1.880
71 H VAL 9 H VAL 9 9.372 -6.259 -1.118
72 HA VAL 9 HA VAL 9 6.870 -5.723 -2.160
73 HB VAL 9 HB VAL 9 8.152 -6.489 -4.400
74 HG11 VAL 9 HG11 VAL 9 8.606 -4.049 -2.672
75 HG12 VAL 9 HG12 VAL 9 7.483 -4.221 -4.018
76 HG13 VAL 9 HG13 VAL 9 9.221 -4.178 -4.319
77 HG21 VAL 9 HG21 VAL 9 10.476 -5.690 -2.687
78 HG22 VAL 9 HG22 VAL 9 10.458 -6.622 -4.184
79 HG23 VAL 9 HG23 VAL 9 9.965 -7.379 -2.669
80 H VAL 10 H VAL 10 5.323 -7.258 -1.657
81 HA VAL 10 HA VAL 10 5.661 -9.901 -2.952
82 HB VAL 10 HB VAL 10 3.885 -10.641 -1.292
83 HG11 VAL 10 HG11 VAL 10 6.530 -10.777 -1.131
84 HG12 VAL 10 HG12 VAL 10 5.520 -11.249 0.236
85 HG13 VAL 10 HG13 VAL 10 6.282 -9.659 0.210
86 HG21 VAL 10 HG21 VAL 10 3.750 -9.205 0.764
87 HG22 VAL 10 HG22 VAL 10 3.021 -8.456 -0.657
88 HG23 VAL 10 HG23 VAL 10 4.617 -7.943 -0.112
89 H THR 11 H THR 11 4.036 -10.674 -4.260
90 HA THR 11 HA THR 11 2.342 -8.764 -5.522
91 HB THR 11 HB THR 11 2.273 -11.789 -5.668
92 HG1 THR 11 HG1 THR 11 3.842 -11.599 -7.059
93 HG21 THR 11 HG21 THR 11 1.018 -11.499 -7.691
94 HG22 THR 11 HG22 THR 11 1.264 -9.753 -7.665
95 HG23 THR 11 HG23 THR 11 0.224 -10.514 -6.461
96 H CYS 12 H CYS 12 0.457 -8.012 -4.821
97 HA CYS 12 HA CYS 12 -0.876 -9.134 -2.543
98 HB2 CYS 12 HB2 CYS 12 -1.836 -7.008 -4.473
99 HB3 CYS 12 HB3 CYS 12 -2.492 -7.337 -2.870
100 H HIS 13 H HIS 13 -3.494 -9.102 -2.929
101 HA HIS 13 HA HIS 13 -4.151 -11.537 -4.047
102 HB2 HIS 13 HB2 HIS 13 -6.008 -9.156 -3.915
103 HB3 HIS 13 HB3 HIS 13 -6.444 -10.862 -3.860
104 HD1 HIS 13 HD1 HIS 13 -3.939 -8.745 -1.894
105 HD2 HIS 13 HD2 HIS 13 -6.986 -11.514 -1.244
106 HE1 HIS 13 HE1 HIS 13 -4.056 -9.106 0.610
107 H ARG 14 H ARG 14 -6.312 -11.107 -5.763
108 HA ARG 14 HA ARG 14 -4.879 -10.558 -8.259
109 HB2 ARG 14 HB2 ARG 14 -5.988 -12.568 -8.527
110 HB3 ARG 14 HB3 ARG 14 -7.344 -12.078 -7.510
111 HG2 ARG 14 HG2 ARG 14 -8.240 -10.668 -9.230
112 HG3 ARG 14 HG3 ARG 14 -6.778 -10.821 -10.205
113 HD2 ARG 14 HD2 ARG 14 -7.227 -13.129 -10.673
114 HD3 ARG 14 HD3 ARG 14 -8.511 -13.188 -9.469
115 HE ARG 14 HE ARG 14 -8.849 -11.334 -11.719
116 HH11 ARG 14 HH21 ARG 14 -9.594 -14.327 -10.149
117 HH12 ARG 14 HH22 ARG 14 -11.056 -14.589 -11.040
118 HH21 ARG 14 HH11 ARG 14 -10.765 -11.669 -12.888
119 HH22 ARG 14 HH12 ARG 14 -11.719 -13.083 -12.589
120 H ASP 15 H ASP 15 -7.558 -9.384 -6.323
121 HA ASP 15 HA ASP 15 -8.480 -7.532 -8.348
122 HB2 ASP 15 HB2 ASP 15 -9.881 -8.652 -6.486
123 HB3 ASP 15 HB3 ASP 15 -9.198 -7.418 -5.429
124 H MET 16 H MET 16 -6.823 -7.275 -5.201
125 HA MET 16 HA MET 16 -6.519 -4.543 -5.025
126 HB2 MET 16 HB2 MET 16 -4.816 -6.853 -4.155
127 HB3 MET 16 HB3 MET 16 -4.233 -5.205 -3.937
128 HG2 MET 16 HG2 MET 16 -5.846 -4.688 -2.378
129 HG3 MET 16 HG3 MET 16 -7.030 -5.789 -3.085
130 HE1 MET 16 HE1 MET 16 -7.352 -7.108 -0.031
131 HE2 MET 16 HE2 MET 16 -7.110 -5.445 -0.558
132 HE3 MET 16 HE3 MET 16 -6.014 -6.153 0.624
133 H LYS 17 H LYS 17 -5.997 -3.306 -6.745
134 HA LYS 17 HA LYS 17 -3.538 -4.012 -8.234
135 HB2 LYS 17 HB2 LYS 17 -6.180 -3.148 -9.121
136 HB3 LYS 17 HB3 LYS 17 -4.891 -2.126 -9.759
137 HG2 LYS 17 HG2 LYS 17 -3.706 -4.099 -10.601
138 HG3 LYS 17 HG3 LYS 17 -4.940 -5.154 -9.912
139 HD2 LYS 17 HD2 LYS 17 -6.409 -3.334 -11.419
140 HD3 LYS 17 HD3 LYS 17 -4.985 -3.644 -12.412
141 HE2 LYS 17 HE2 LYS 17 -5.383 -6.118 -12.039
142 HE3 LYS 17 HE3 LYS 17 -6.924 -5.686 -11.299
143 HZ1 LYS 17 HZ1 LYS 17 -7.605 -5.927 -13.430
144 HZ2 LYS 17 HZ2 LYS 17 -6.091 -5.533 -14.092
145 HZ3 LYS 17 HZ3 LYS 17 -7.120 -4.306 -13.525
146 H PHE 18 H PHE 18 -4.545 -2.139 -5.809
147 HA PHE 18 HA PHE 18 -2.693 0.046 -6.529
148 HB2 PHE 18 HB2 PHE 18 -5.199 0.415 -4.886
149 HB3 PHE 18 HB3 PHE 18 -4.119 1.667 -5.495
150 HD1 PHE 18 HD2 PHE 18 -6.297 -1.143 -6.682
151 HD2 PHE 18 HD1 PHE 18 -4.567 2.691 -7.551
152 HE1 PHE 18 HE2 PHE 18 -7.607 -1.029 -8.784
153 HE2 PHE 18 HE1 PHE 18 -5.877 2.806 -9.654
154 HZ PHE 18 HZ PHE 18 -7.397 0.945 -10.271
155 H CYS 19 H CYS 19 -1.187 0.510 -5.045
156 HA CYS 19 HA CYS 19 -1.256 -0.987 -2.513
157 HB2 CYS 19 HB2 CYS 19 1.121 0.583 -3.441
158 HB3 CYS 19 HB3 CYS 19 1.061 -0.903 -2.496
159 H TYR 20 H TYR 20 -1.435 0.047 -0.573
160 HA TYR 20 HA TYR 20 -1.504 2.997 -0.689
161 HB2 TYR 20 HB2 TYR 20 -3.203 2.999 0.970
162 HB3 TYR 20 HB3 TYR 20 -3.674 1.789 -0.217
163 HD1 TYR 20 HD2 TYR 20 -2.341 2.332 3.178
164 HD2 TYR 20 HD1 TYR 20 -3.632 -0.585 0.303
165 HE1 TYR 20 HE2 TYR 20 -2.400 0.606 4.956
166 HE2 TYR 20 HE1 TYR 20 -3.693 -2.312 2.082
167 HH TYR 20 HH TYR 20 -2.728 -1.538 5.426
168 H HIS 21 H HIS 21 -0.585 4.183 0.912
169 HA HIS 21 HA HIS 21 1.246 2.728 2.722
170 HB2 HIS 21 HB2 HIS 21 1.894 5.531 2.349
171 HB3 HIS 21 HB3 HIS 21 2.899 4.109 2.077
172 HD1 HIS 21 HD1 HIS 21 2.122 6.819 0.203
173 HD2 HIS 21 HD2 HIS 21 1.341 2.782 -0.480
174 HE1 HIS 21 HE1 HIS 21 1.774 6.570 -2.293
175 H ASN 22 H ASN 22 0.360 2.689 4.704
176 HA ASN 22 HA ASN 22 -1.200 5.017 5.594
177 HB2 ASN 22 HB2 ASN 22 -2.388 2.953 5.844
178 HB3 ASN 22 HB3 ASN 22 -1.009 2.188 6.632
179 HD21 ASN 22 HD21 ASN 22 -3.161 1.992 8.189
180 HD22 ASN 22 HD22 ASN 22 -3.195 3.164 9.417
181 H THR 23 H THR 23 -0.434 6.400 7.027
182 HA THR 23 HA THR 23 1.686 5.553 8.877
183 HB THR 23 HB THR 23 2.990 6.570 7.177
184 HG1 THR 23 HG1 THR 23 3.880 8.096 8.368
185 HG21 THR 23 HG21 THR 23 0.672 8.467 7.016
186 HG22 THR 23 HG22 THR 23 1.517 7.624 5.717
187 HG23 THR 23 HG23 THR 23 2.268 9.013 6.503
188 H GLY 24 H GLY 24 -1.292 6.438 8.779
189 HA2 GLY 24 HA2 GLY 24 -2.040 8.734 9.838
190 HA3 GLY 24 HA3 GLY 24 -2.555 7.236 10.606
191 H MET 25 H MET 25 -2.002 9.867 11.808
192 HA MET 25 HA MET 25 -0.234 8.927 13.936
193 HB2 MET 25 HB2 MET 25 1.141 10.939 13.909
194 HB3 MET 25 HB3 MET 25 1.252 10.126 12.348
195 HG2 MET 25 HG2 MET 25 0.537 11.999 11.331
196 HG3 MET 25 HG3 MET 25 -0.977 11.901 12.230
197 HE1 MET 25 HE1 MET 25 0.286 15.623 12.474
198 HE2 MET 25 HE2 MET 25 -0.975 14.548 11.877
199 HE3 MET 25 HE3 MET 25 0.632 14.492 11.159
200 HA PRO 26 HA PRO 26 -4.124 11.410 15.039
201 HB2 PRO 26 HB2 PRO 26 -4.887 9.466 16.914
202 HB3 PRO 26 HB3 PRO 26 -5.562 9.661 15.287
203 HG2 PRO 26 HG2 PRO 26 -3.539 7.741 16.279
204 HG3 PRO 26 HG3 PRO 26 -4.757 7.552 15.007
205 HD2 PRO 26 HD2 PRO 26 -2.118 7.923 14.454
206 HD3 PRO 26 HD3 PRO 26 -3.408 8.515 13.383
207 H PHE 27 H PHE 27 -4.807 11.748 17.518
208 HA PHE 27 HA PHE 27 -2.702 13.054 18.794
209 HB2 PHE 27 HB2 PHE 27 -5.052 13.514 19.316
210 HB3 PHE 27 HB3 PHE 27 -5.218 11.911 20.034
211 HD1 PHE 27 HD1 PHE 27 -2.828 14.805 20.237
212 HD2 PHE 27 HD2 PHE 27 -5.080 11.821 22.353
213 HE1 PHE 27 HE1 PHE 27 -1.959 15.676 22.390
214 HE2 PHE 27 HE2 PHE 27 -4.210 12.692 24.505
215 HZ PHE 27 HZ PHE 27 -2.649 14.619 24.524
216 H ARG 28 H ARG 28 -3.949 9.770 19.268
217 HA ARG 28 HA ARG 28 -2.116 9.192 21.420
218 HB2 ARG 28 HB2 ARG 28 -3.743 7.256 19.759
219 HB3 ARG 28 HB3 ARG 28 -3.034 6.961 21.346
220 HG2 ARG 28 HG2 ARG 28 -4.520 8.489 22.409
221 HG3 ARG 28 HG3 ARG 28 -5.029 9.179 20.868
222 HD2 ARG 28 HD2 ARG 28 -5.839 6.768 20.318
223 HD3 ARG 28 HD3 ARG 28 -5.733 6.504 22.056
224 HE ARG 28 HE ARG 28 -7.222 8.876 21.329
225 HH11 ARG 28 HH21 ARG 28 -7.292 5.456 21.850
226 HH12 ARG 28 HH22 ARG 28 -8.982 5.408 22.221
227 HH21 ARG 28 HH11 ARG 28 -9.437 8.822 21.816
228 HH22 ARG 28 HH12 ARG 28 -10.197 7.315 22.204
229 H ASN 29 H ASN 29 -0.019 8.838 21.116
230 HA ASN 29 HA ASN 29 1.414 8.678 18.823
231 HB2 ASN 29 HB2 ASN 29 1.821 7.560 21.547
232 HB3 ASN 29 HB3 ASN 29 2.879 6.960 20.271
233 HD21 ASN 29 HD21 ASN 29 3.077 9.348 18.693
234 HD22 ASN 29 HD22 ASN 29 3.909 10.515 19.602
235 H LEU 30 H LEU 30 1.180 7.451 17.072
236 HA LEU 30 HA LEU 30 1.016 4.554 17.347
237 HB2 LEU 30 HB2 LEU 30 -1.357 5.763 17.216
238 HB3 LEU 30 HB3 LEU 30 -0.984 5.751 15.491
239 HG LEU 30 HG LEU 30 -1.064 3.354 17.346
240 HD11 LEU 30 HD11 LEU 30 -2.768 2.677 15.491
241 HD12 LEU 30 HD12 LEU 30 -2.798 4.400 15.115
242 HD13 LEU 30 HD13 LEU 30 -3.278 3.840 16.716
243 HD21 LEU 30 HD21 LEU 30 -0.118 3.685 14.493
244 HD22 LEU 30 HD22 LEU 30 -0.656 2.127 15.119
245 HD23 LEU 30 HD23 LEU 30 0.735 2.936 15.842
246 H LYS 31 H LYS 31 3.132 4.736 16.411
247 HA LYS 31 HA LYS 31 3.091 5.386 13.524
248 HB2 LYS 31 HB2 LYS 31 5.243 5.725 15.604
249 HB3 LYS 31 HB3 LYS 31 5.633 5.638 13.887
250 HG2 LYS 31 HG2 LYS 31 3.812 7.464 13.596
251 HG3 LYS 31 HG3 LYS 31 3.985 7.704 15.336
252 HD2 LYS 31 HD2 LYS 31 6.464 7.978 14.975
253 HD3 LYS 31 HD3 LYS 31 6.158 7.947 13.238
254 HE2 LYS 31 HE2 LYS 31 4.522 9.859 13.613
255 HE3 LYS 31 HE3 LYS 31 5.162 9.974 15.251
256 HZ1 LYS 31 HZ1 LYS 31 7.428 10.026 14.022
257 HZ2 LYS 31 HZ2 LYS 31 6.492 11.442 14.120
258 HZ3 LYS 31 HZ3 LYS 31 6.500 10.522 12.691
259 H LEU 32 H LEU 32 2.389 3.207 13.084
260 HA LEU 32 HA LEU 32 4.625 1.284 13.212
261 HB2 LEU 32 HB2 LEU 32 1.738 0.829 13.946
262 HB3 LEU 32 HB3 LEU 32 2.794 -0.501 13.466
263 HG LEU 32 HG LEU 32 3.414 1.456 15.697
264 HD11 LEU 32 HD11 LEU 32 1.675 -0.847 15.630
265 HD12 LEU 32 HD12 LEU 32 2.036 0.225 16.982
266 HD13 LEU 32 HD13 LEU 32 3.058 -1.178 16.673
267 HD21 LEU 32 HD21 LEU 32 4.848 -0.779 14.369
268 HD22 LEU 32 HD22 LEU 32 4.928 -0.758 16.131
269 HD23 LEU 32 HD23 LEU 32 5.494 0.633 15.205
270 H ILE 33 H ILE 33 5.200 0.696 11.233
271 HA ILE 33 HA ILE 33 4.168 1.421 8.842
272 HB ILE 33 HB ILE 33 5.447 -1.217 9.575
273 HG12 ILE 33 HG12 ILE 33 6.607 1.141 9.737
274 HG13 ILE 33 HG13 ILE 33 7.466 -0.199 8.976
275 HG21 ILE 33 HG21 ILE 33 4.607 -0.076 6.912
276 HG22 ILE 33 HG22 ILE 33 4.338 -1.700 7.544
277 HG23 ILE 33 HG23 ILE 33 5.953 -1.208 7.035
278 HD11 ILE 33 HD11 ILE 33 7.215 0.661 6.850
279 HD12 ILE 33 HD12 ILE 33 7.236 2.169 7.765
280 HD13 ILE 33 HD13 ILE 33 5.701 1.474 7.245
281 H LEU 34 H LEU 34 2.287 1.176 7.827
282 HA LEU 34 HA LEU 34 0.716 -1.273 8.319
283 HB2 LEU 34 HB2 LEU 34 -0.089 1.564 8.709
284 HB3 LEU 34 HB3 LEU 34 -1.279 0.479 7.988
285 HG LEU 34 HG LEU 34 0.179 -0.589 10.341
286 HD11 LEU 34 HD11 LEU 34 -1.091 0.670 11.958
287 HD12 LEU 34 HD12 LEU 34 -2.005 1.484 10.687
288 HD13 LEU 34 HD13 LEU 34 -0.290 1.835 10.905
289 HD21 LEU 34 HD21 LEU 34 -2.194 -1.316 10.861
290 HD22 LEU 34 HD22 LEU 34 -1.564 -1.908 9.324
291 HD23 LEU 34 HD23 LEU 34 -2.686 -0.547 9.352
292 H GLN 35 H GLN 35 2.485 -0.473 6.114
293 HA GLN 35 HA GLN 35 0.933 0.368 3.874
294 HB2 GLN 35 HB2 GLN 35 2.870 -0.484 2.551
295 HB3 GLN 35 HB3 GLN 35 3.347 0.606 3.853
296 HG2 GLN 35 HG2 GLN 35 3.844 -1.351 5.291
297 HG3 GLN 35 HG3 GLN 35 3.417 -2.423 3.958
298 HE21 GLN 35 HE21 GLN 35 4.629 -0.907 1.818
299 HE22 GLN 35 HE22 GLN 35 6.312 -0.959 2.037
300 H GLY 36 H GLY 36 -0.266 -0.766 2.456
301 HA2 GLY 36 HA2 GLY 36 -0.041 -3.628 2.160
302 HA3 GLY 36 HA3 GLY 36 -1.504 -3.131 3.005
303 H CYS 37 H CYS 37 -2.211 -4.345 0.880
304 HA CYS 37 HA CYS 37 -2.416 -2.416 -1.338
305 HB2 CYS 37 HB2 CYS 37 -3.506 -5.087 -1.805
306 HB3 CYS 37 HB3 CYS 37 -2.342 -4.165 -2.755
307 H SER 38 H SER 38 -4.501 -2.311 -2.476
308 HA SER 38 HA SER 38 -6.896 -3.165 -1.134
309 HB2 SER 38 HB2 SER 38 -6.078 -1.137 0.200
310 HB3 SER 38 HB3 SER 38 -6.455 -0.182 -1.232
311 HG SER 38 HG SER 38 -8.578 -1.375 -1.056
312 H SER 39 H SER 39 -8.702 -2.976 -2.439
313 HA SER 39 HA SER 39 -8.208 -2.633 -5.239
314 HB2 SER 39 HB2 SER 39 -9.904 -4.126 -5.095
315 HB3 SER 39 HB3 SER 39 -10.425 -3.523 -3.525
316 HG SER 39 HG SER 39 -11.572 -3.106 -5.825
317 H SER 40 H SER 40 -10.335 -0.903 -2.945
318 HA SER 40 HA SER 40 -10.321 1.399 -4.795
319 HB2 SER 40 HB2 SER 40 -12.454 1.916 -4.104
320 HB3 SER 40 HB3 SER 40 -12.493 0.171 -3.870
321 HG SER 40 HG SER 40 -12.766 0.551 -1.832
322 H CYS 41 H CYS 41 -8.022 1.419 -3.587
323 HA CYS 41 HA CYS 41 -7.802 2.352 -0.962
324 HB2 CYS 41 HB2 CYS 41 -5.881 1.626 -2.358
325 HB3 CYS 41 HB3 CYS 41 -6.042 3.105 -3.306
326 H SER 42 H SER 42 -8.480 4.153 -0.018
327 HA SER 42 HA SER 42 -9.280 6.431 -1.694
328 HB2 SER 42 HB2 SER 42 -10.937 5.577 -0.088
329 HB3 SER 42 HB3 SER 42 -9.805 5.856 1.234
330 HG SER 42 HG SER 42 -11.480 7.575 0.051
331 H GLU 43 H GLU 43 -7.087 7.108 -2.107
332 HA GLU 43 HA GLU 43 -5.008 7.633 -0.495
333 HB2 GLU 43 HB2 GLU 43 -5.249 8.308 -2.916
334 HB3 GLU 43 HB3 GLU 43 -6.093 9.752 -2.355
335 HG2 GLU 43 HG2 GLU 43 -4.085 10.241 -0.896
336 HG3 GLU 43 HG3 GLU 43 -3.249 8.930 -1.726
337 H THR 44 H THR 44 -4.548 8.776 1.280
338 HA THR 44 HA THR 44 -5.981 11.186 1.974
339 HB THR 44 HB THR 44 -6.137 9.297 4.214
340 HG1 THR 44 HG1 THR 44 -8.070 8.362 3.232
341 HG21 THR 44 HG21 THR 44 -7.116 11.693 3.846
342 HG22 THR 44 HG22 THR 44 -8.102 10.481 4.665
343 HG23 THR 44 HG23 THR 44 -8.387 10.846 2.963
344 H GLU 45 H GLU 45 -4.974 12.351 3.664
345 HA GLU 45 HA GLU 45 -2.259 12.402 3.783
346 HB2 GLU 45 HB2 GLU 45 -4.183 13.037 6.032
347 HB3 GLU 45 HB3 GLU 45 -2.486 13.515 6.003
348 HG2 GLU 45 HG2 GLU 45 -2.802 14.944 4.142
349 HG3 GLU 45 HG3 GLU 45 -4.355 14.213 3.739
350 H ASN 46 H ASN 46 -4.399 10.435 5.805
351 HA ASN 46 HA ASN 46 -2.213 9.308 7.322
352 HB2 ASN 46 HB2 ASN 46 -4.282 9.464 8.478
353 HB3 ASN 46 HB3 ASN 46 -5.165 8.710 7.153
354 HD21 ASN 46 HD21 ASN 46 -5.697 7.365 9.356
355 HD22 ASN 46 HD22 ASN 46 -4.746 5.972 9.548
356 H ASN 47 H ASN 47 -4.428 8.170 4.782
357 HA ASN 47 HA ASN 47 -2.499 6.009 4.197
358 HB2 ASN 47 HB2 ASN 47 -4.264 4.759 5.013
359 HB3 ASN 47 HB3 ASN 47 -5.473 5.923 4.475
360 HD21 ASN 47 HD21 ASN 47 -5.710 6.079 1.985
361 HD22 ASN 47 HD22 ASN 47 -5.530 4.639 1.103
362 H LYS 48 H LYS 48 -1.533 6.464 2.341
363 HA LYS 48 HA LYS 48 -2.882 8.083 0.324
364 HB2 LYS 48 HB2 LYS 48 -0.108 6.870 0.355
365 HB3 LYS 48 HB3 LYS 48 -0.719 8.004 -0.851
366 HG2 LYS 48 HG2 LYS 48 0.303 9.499 0.586
367 HG3 LYS 48 HG3 LYS 48 -1.297 9.437 1.323
368 HD2 LYS 48 HD2 LYS 48 -0.563 7.835 2.966
369 HD3 LYS 48 HD3 LYS 48 0.984 7.624 2.146
370 HE2 LYS 48 HE2 LYS 48 0.858 10.365 2.567
371 HE3 LYS 48 HE3 LYS 48 0.147 9.697 4.036
372 HZ1 LYS 48 HZ1 LYS 48 2.392 9.703 4.502
373 HZ2 LYS 48 HZ2 LYS 48 2.841 9.268 2.922
374 HZ3 LYS 48 HZ3 LYS 48 2.152 8.114 3.962
375 H CYS 49 H CYS 49 -1.886 7.096 -2.025
376 HA CYS 49 HA CYS 49 -2.588 4.276 -2.252
377 HB2 CYS 49 HB2 CYS 49 -4.193 6.389 -3.710
378 HB3 CYS 49 HB3 CYS 49 -4.391 4.642 -3.846
379 H CYS 50 H CYS 50 -1.294 3.374 -3.723
380 HA CYS 50 HA CYS 50 -0.151 5.108 -5.831
381 HB2 CYS 50 HB2 CYS 50 1.098 3.144 -4.008
382 HB3 CYS 50 HB3 CYS 50 1.603 3.042 -5.694
383 H SER 51 H SER 51 0.579 3.800 -7.770
384 HA SER 51 HA SER 51 -0.888 1.339 -8.259
385 HB2 SER 51 HB2 SER 51 -2.399 2.113 -9.816
386 HB3 SER 51 HB3 SER 51 -2.342 3.509 -8.744
387 HG SER 51 HG SER 51 -2.049 4.051 -10.967
388 H THR 52 H THR 52 1.893 2.145 -8.168
389 HA THR 52 HA THR 52 2.642 1.454 -10.937
390 HB THR 52 HB THR 52 4.461 3.192 -9.338
391 HG1 THR 52 HG1 THR 52 1.962 3.850 -9.784
392 HG21 THR 52 HG21 THR 52 5.253 3.830 -11.449
393 HG22 THR 52 HG22 THR 52 3.735 3.422 -12.247
394 HG23 THR 52 HG23 THR 52 4.817 2.141 -11.701
395 H ASP 53 H ASP 53 2.317 -0.046 -8.345
396 HA ASP 53 HA ASP 53 3.423 -1.637 -7.099
397 HB2 ASP 53 HB2 ASP 53 5.504 -2.425 -8.815
398 HB3 ASP 53 HB3 ASP 53 3.911 -3.165 -8.663
399 H ARG 54 H ARG 54 5.528 -2.268 -6.102
400 HA ARG 54 HA ARG 54 7.191 -1.477 -4.678
401 HB2 ARG 54 HB2 ARG 54 8.257 -2.180 -6.909
402 HB3 ARG 54 HB3 ARG 54 8.389 -0.455 -7.252
403 HG2 ARG 54 HG2 ARG 54 9.906 -0.088 -5.517
404 HG3 ARG 54 HG3 ARG 54 9.383 -1.516 -4.623
405 HD2 ARG 54 HD2 ARG 54 10.716 -2.932 -5.829
406 HD3 ARG 54 HD3 ARG 54 10.522 -2.013 -7.319
407 HE ARG 54 HE ARG 54 12.043 -0.455 -5.549
408 HH11 ARG 54 HH21 ARG 54 12.208 -3.451 -7.276
409 HH12 ARG 54 HH22 ARG 54 13.934 -3.426 -7.430
410 HH21 ARG 54 HH11 ARG 54 14.305 -0.415 -5.749
411 HH22 ARG 54 HH12 ARG 54 15.120 -1.706 -6.568
412 H CYS 55 H CYS 55 5.005 0.489 -5.478
413 HA CYS 55 HA CYS 55 6.223 3.082 -5.581
414 HB2 CYS 55 HB2 CYS 55 3.843 2.363 -6.321
415 HB3 CYS 55 HB3 CYS 55 3.427 2.538 -4.617
416 H ASN 56 H ASN 56 4.457 1.318 -3.044
417 HA ASN 56 HA ASN 56 4.742 3.165 -0.987
418 HB2 ASN 56 HB2 ASN 56 4.567 1.114 0.513
419 HB3 ASN 56 HB3 ASN 56 3.266 1.339 -0.653
420 HD21 ASN 56 HD21 ASN 56 6.035 0.444 -2.351
421 HD22 ASN 56 HD22 ASN 56 5.746 -1.226 -2.449
422 H LYS 57 H LYS 57 6.760 4.108 -0.869
423 HA LYS 57 HA LYS 57 9.075 4.227 -0.604
424 HB2 LYS 57 HB2 LYS 57 7.779 3.817 1.689
425 HB3 LYS 57 HB3 LYS 57 8.741 2.339 1.681
426 HG2 LYS 57 HG2 LYS 57 10.791 3.551 1.619
427 HG3 LYS 57 HG3 LYS 57 9.975 5.059 1.204
428 HD2 LYS 57 HD2 LYS 57 10.568 5.120 3.561
429 HD3 LYS 57 HD3 LYS 57 8.815 4.980 3.422
430 HE2 LYS 57 HE2 LYS 57 8.780 2.855 4.270
431 HE3 LYS 57 HE3 LYS 57 10.320 2.423 3.522
432 HZ1 LYS 57 HZ1 LYS 57 11.245 2.739 5.496
433 HZ2 LYS 57 HZ2 LYS 57 9.807 3.366 6.149
434 HZ3 LYS 57 HZ3 LYS 57 10.901 4.394 5.355
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 2.294 -2.490 -9.611
2 H2 LEU 1 H2 LEU 1 2.855 -3.063 -11.108
3 H3 LEU 1 H3 LEU 1 3.728 -3.393 -9.688
4 HA LEU 1 HA LEU 1 0.944 -4.291 -9.844
5 HB2 LEU 1 HB2 LEU 1 3.305 -5.576 -11.246
6 HB3 LEU 1 HB3 LEU 1 1.802 -6.426 -10.887
7 HG LEU 1 HG LEU 1 1.414 -3.820 -12.201
8 HD11 LEU 1 HD11 LEU 1 3.359 -4.334 -13.467
9 HD12 LEU 1 HD12 LEU 1 2.017 -4.900 -14.459
10 HD13 LEU 1 HD13 LEU 1 2.966 -6.052 -13.520
11 HD21 LEU 1 HD21 LEU 1 0.495 -6.524 -13.156
12 HD22 LEU 1 HD22 LEU 1 -0.337 -4.972 -13.263
13 HD23 LEU 1 HD23 LEU 1 -0.220 -5.805 -11.713
14 H LYS 2 H LYS 2 2.962 -3.455 -7.806
15 HA LYS 2 HA LYS 2 2.577 -5.590 -5.971
16 HB2 LYS 2 HB2 LYS 2 4.965 -6.202 -5.659
17 HB3 LYS 2 HB3 LYS 2 4.337 -6.689 -7.234
18 HG2 LYS 2 HG2 LYS 2 5.322 -4.025 -7.490
19 HG3 LYS 2 HG3 LYS 2 6.559 -4.970 -6.661
20 HD2 LYS 2 HD2 LYS 2 6.287 -6.733 -8.454
21 HD3 LYS 2 HD3 LYS 2 5.259 -5.594 -9.325
22 HE2 LYS 2 HE2 LYS 2 7.017 -4.266 -9.929
23 HE3 LYS 2 HE3 LYS 2 7.859 -4.515 -8.399
24 HZ1 LYS 2 HZ1 LYS 2 9.093 -6.077 -9.330
25 HZ2 LYS 2 HZ2 LYS 2 8.372 -5.743 -10.832
26 HZ3 LYS 2 HZ3 LYS 2 7.722 -6.945 -9.822
27 H CYS 3 H CYS 3 3.898 -5.211 -3.930
28 HA CYS 3 HA CYS 3 4.967 -2.572 -3.505
29 HB2 CYS 3 HB2 CYS 3 2.926 -2.709 -1.543
30 HB3 CYS 3 HB3 CYS 3 3.105 -1.524 -2.835
31 H TYR 4 H TYR 4 5.093 -2.316 -0.898
32 HA TYR 4 HA TYR 4 6.378 -4.806 -0.014
33 HB2 TYR 4 HB2 TYR 4 6.719 -1.916 0.724
34 HB3 TYR 4 HB3 TYR 4 7.305 -3.191 1.788
35 HD1 TYR 4 HD2 TYR 4 8.793 -5.024 0.730
36 HD2 TYR 4 HD1 TYR 4 8.007 -1.233 -1.124
37 HE1 TYR 4 HE2 TYR 4 10.791 -5.315 -0.705
38 HE2 TYR 4 HE1 TYR 4 10.007 -1.521 -2.563
39 HH TYR 4 HH TYR 4 12.383 -3.164 -2.097
40 H GLN 5 H GLN 5 4.706 -5.989 0.798
41 HA GLN 5 HA GLN 5 2.912 -4.785 2.773
42 HB2 GLN 5 HB2 GLN 5 2.000 -6.314 1.045
43 HB3 GLN 5 HB3 GLN 5 2.985 -7.617 1.710
44 HG2 GLN 5 HG2 GLN 5 1.776 -7.675 3.725
45 HG3 GLN 5 HG3 GLN 5 1.118 -6.057 3.484
46 HE21 GLN 5 HE21 GLN 5 0.739 -9.459 2.600
47 HE22 GLN 5 HE22 GLN 5 -0.756 -9.270 1.819
48 H HIS 6 H HIS 6 5.314 -7.398 2.563
49 HA HIS 6 HA HIS 6 5.539 -7.298 5.514
50 HB2 HIS 6 HB2 HIS 6 4.544 -9.432 4.223
51 HB3 HIS 6 HB3 HIS 6 6.262 -9.804 4.087
52 HD1 HIS 6 HD1 HIS 6 3.510 -9.384 6.603
53 HD2 HIS 6 HD2 HIS 6 7.561 -10.366 6.560
54 HE1 HIS 6 HE1 HIS 6 4.059 -10.260 8.915
55 H GLY 7 H GLY 7 7.104 -5.597 4.138
56 HA2 GLY 7 HA2 GLY 7 9.337 -4.973 4.094
57 HA3 GLY 7 HA3 GLY 7 9.754 -6.568 4.716
58 H LYS 8 H LYS 8 8.373 -8.039 2.666
59 HA LYS 8 HA LYS 8 10.375 -7.819 0.549
60 HB2 LYS 8 HB2 LYS 8 8.247 -9.868 0.361
61 HB3 LYS 8 HB3 LYS 8 9.989 -10.029 0.147
62 HG2 LYS 8 HG2 LYS 8 10.019 -9.541 2.756
63 HG3 LYS 8 HG3 LYS 8 8.369 -10.157 2.660
64 HD2 LYS 8 HD2 LYS 8 9.566 -12.053 1.198
65 HD3 LYS 8 HD3 LYS 8 10.957 -11.572 2.167
66 HE2 LYS 8 HE2 LYS 8 8.314 -12.144 3.499
67 HE3 LYS 8 HE3 LYS 8 9.397 -13.465 3.064
68 HZ1 LYS 8 HZ1 LYS 8 10.088 -12.938 5.176
69 HZ2 LYS 8 HZ2 LYS 8 9.825 -11.271 4.978
70 HZ3 LYS 8 HZ3 LYS 8 11.161 -12.018 4.238
71 H VAL 9 H VAL 9 9.382 -8.400 -1.733
72 HA VAL 9 HA VAL 9 7.353 -6.339 -2.239
73 HB VAL 9 HB VAL 9 8.996 -7.891 -4.252
74 HG11 VAL 9 HG11 VAL 9 8.465 -5.477 -5.351
75 HG12 VAL 9 HG12 VAL 9 7.039 -5.656 -4.329
76 HG13 VAL 9 HG13 VAL 9 7.408 -6.874 -5.552
77 HG21 VAL 9 HG21 VAL 9 9.574 -5.098 -3.257
78 HG22 VAL 9 HG22 VAL 9 10.627 -6.171 -4.177
79 HG23 VAL 9 HG23 VAL 9 10.286 -6.512 -2.481
80 H VAL 10 H VAL 10 5.330 -7.093 -2.054
81 HA VAL 10 HA VAL 10 4.711 -9.801 -3.022
82 HB VAL 10 HB VAL 10 2.489 -9.365 -1.913
83 HG11 VAL 10 HG11 VAL 10 5.113 -9.305 -0.437
84 HG12 VAL 10 HG12 VAL 10 3.983 -10.645 -0.628
85 HG13 VAL 10 HG13 VAL 10 3.590 -9.307 0.451
86 HG21 VAL 10 HG21 VAL 10 3.694 -7.121 -0.389
87 HG22 VAL 10 HG22 VAL 10 2.021 -7.372 -0.888
88 HG23 VAL 10 HG23 VAL 10 3.200 -6.744 -2.039
89 H THR 11 H THR 11 3.191 -10.200 -4.614
90 HA THR 11 HA THR 11 2.608 -7.907 -6.359
91 HB THR 11 HB THR 11 2.617 -10.888 -6.840
92 HG1 THR 11 HG1 THR 11 4.493 -9.171 -6.898
93 HG21 THR 11 HG21 THR 11 0.965 -10.405 -8.332
94 HG22 THR 11 HG22 THR 11 2.295 -9.762 -9.296
95 HG23 THR 11 HG23 THR 11 1.315 -8.676 -8.310
96 H CYS 12 H CYS 12 0.931 -7.379 -4.596
97 HA CYS 12 HA CYS 12 -1.341 -8.803 -4.035
98 HB2 CYS 12 HB2 CYS 12 -1.727 -5.947 -4.793
99 HB3 CYS 12 HB3 CYS 12 -2.264 -6.813 -3.353
100 H HIS 13 H HIS 13 -2.891 -9.720 -5.223
101 HA HIS 13 HA HIS 13 -3.818 -8.458 -7.681
102 HB2 HIS 13 HB2 HIS 13 -1.820 -10.011 -8.201
103 HB3 HIS 13 HB3 HIS 13 -2.929 -11.331 -7.827
104 HD1 HIS 13 HD1 HIS 13 -2.946 -8.190 -10.008
105 HD2 HIS 13 HD2 HIS 13 -4.400 -12.097 -10.027
106 HE1 HIS 13 HE1 HIS 13 -4.107 -8.511 -12.236
107 H ARG 14 H ARG 14 -5.174 -10.755 -8.659
108 HA ARG 14 HA ARG 14 -7.171 -11.861 -8.422
109 HB2 ARG 14 HB2 ARG 14 -6.785 -11.993 -5.455
110 HB3 ARG 14 HB3 ARG 14 -7.412 -13.218 -6.558
111 HG2 ARG 14 HG2 ARG 14 -5.040 -13.239 -7.580
112 HG3 ARG 14 HG3 ARG 14 -4.546 -12.389 -6.117
113 HD2 ARG 14 HD2 ARG 14 -6.177 -14.539 -5.269
114 HD3 ARG 14 HD3 ARG 14 -5.079 -15.200 -6.477
115 HE ARG 14 HE ARG 14 -4.375 -14.294 -3.845
116 HH11 ARG 14 HH21 ARG 14 -3.313 -14.600 -7.124
117 HH12 ARG 14 HH22 ARG 14 -1.631 -14.673 -6.718
118 HH21 ARG 14 HH11 ARG 14 -2.171 -14.389 -3.304
119 HH22 ARG 14 HH12 ARG 14 -0.984 -14.555 -4.555
120 H ASP 15 H ASP 15 -6.543 -8.900 -7.099
121 HA ASP 15 HA ASP 15 -9.122 -7.898 -7.295
122 HB2 ASP 15 HB2 ASP 15 -8.770 -9.446 -4.913
123 HB3 ASP 15 HB3 ASP 15 -8.952 -7.753 -4.459
124 H MET 16 H MET 16 -6.344 -7.716 -5.063
125 HA MET 16 HA MET 16 -6.392 -4.937 -4.677
126 HB2 MET 16 HB2 MET 16 -4.060 -6.866 -4.622
127 HB3 MET 16 HB3 MET 16 -4.031 -5.224 -3.988
128 HG2 MET 16 HG2 MET 16 -5.195 -5.794 -2.124
129 HG3 MET 16 HG3 MET 16 -6.300 -6.829 -3.027
130 HE1 MET 16 HE1 MET 16 -6.444 -8.453 -1.190
131 HE2 MET 16 HE2 MET 16 -5.295 -7.644 -0.127
132 HE3 MET 16 HE3 MET 16 -5.118 -9.365 -0.455
133 H LYS 17 H LYS 17 -5.949 -3.309 -6.016
134 HA LYS 17 HA LYS 17 -4.206 -3.836 -8.347
135 HB2 LYS 17 HB2 LYS 17 -6.732 -3.620 -8.819
136 HB3 LYS 17 HB3 LYS 17 -6.522 -1.913 -8.428
137 HG2 LYS 17 HG2 LYS 17 -5.839 -1.597 -10.551
138 HG3 LYS 17 HG3 LYS 17 -4.394 -2.528 -10.153
139 HD2 LYS 17 HD2 LYS 17 -5.350 -3.625 -12.043
140 HD3 LYS 17 HD3 LYS 17 -5.786 -4.620 -10.652
141 HE2 LYS 17 HE2 LYS 17 -7.947 -4.393 -11.236
142 HE3 LYS 17 HE3 LYS 17 -7.819 -2.672 -10.874
143 HZ1 LYS 17 HZ1 LYS 17 -6.846 -3.683 -13.456
144 HZ2 LYS 17 HZ2 LYS 17 -7.443 -2.143 -13.058
145 HZ3 LYS 17 HZ3 LYS 17 -8.512 -3.453 -13.233
146 H PHE 18 H PHE 18 -4.743 -2.033 -5.560
147 HA PHE 18 HA PHE 18 -2.802 -0.005 -6.467
148 HB2 PHE 18 HB2 PHE 18 -5.264 0.535 -4.793
149 HB3 PHE 18 HB3 PHE 18 -4.029 1.715 -5.222
150 HD1 PHE 18 HD2 PHE 18 -3.496 1.879 -7.821
151 HD2 PHE 18 HD1 PHE 18 -7.150 0.351 -6.156
152 HE1 PHE 18 HE2 PHE 18 -4.657 2.314 -9.969
153 HE2 PHE 18 HE1 PHE 18 -8.311 0.787 -8.304
154 HZ PHE 18 HZ PHE 18 -7.064 1.768 -10.211
155 H CYS 19 H CYS 19 -1.252 0.546 -5.008
156 HA CYS 19 HA CYS 19 -1.221 -0.985 -2.492
157 HB2 CYS 19 HB2 CYS 19 1.052 0.545 -3.785
158 HB3 CYS 19 HB3 CYS 19 1.165 -0.593 -2.443
159 H TYR 20 H TYR 20 -1.086 0.054 -0.507
160 HA TYR 20 HA TYR 20 -1.202 3.002 -0.606
161 HB2 TYR 20 HB2 TYR 20 -3.007 3.078 0.867
162 HB3 TYR 20 HB3 TYR 20 -3.413 1.703 -0.162
163 HD1 TYR 20 HD1 TYR 20 -2.007 2.695 3.129
164 HD2 TYR 20 HD2 TYR 20 -3.473 -0.532 0.701
165 HE1 TYR 20 HE1 TYR 20 -2.038 1.212 5.116
166 HE2 TYR 20 HE2 TYR 20 -3.503 -2.014 2.689
167 HH TYR 20 HH TYR 20 -1.903 -1.660 5.269
168 H HIS 21 H HIS 21 -0.628 4.092 1.371
169 HA HIS 21 HA HIS 21 1.070 2.544 3.213
170 HB2 HIS 21 HB2 HIS 21 2.337 3.794 1.288
171 HB3 HIS 21 HB3 HIS 21 1.979 5.234 2.241
172 HD1 HIS 21 HD1 HIS 21 2.335 4.229 5.076
173 HD2 HIS 21 HD2 HIS 21 4.953 3.211 1.997
174 HE1 HIS 21 HE1 HIS 21 4.513 3.559 6.181
175 H ASN 22 H ASN 22 -0.314 2.776 4.943
176 HA ASN 22 HA ASN 22 -1.473 5.364 5.556
177 HB2 ASN 22 HB2 ASN 22 -2.937 3.629 6.090
178 HB3 ASN 22 HB3 ASN 22 -1.654 2.623 6.757
179 HD21 ASN 22 HD21 ASN 22 -4.236 4.539 7.684
180 HD22 ASN 22 HD22 ASN 22 -3.723 4.938 9.252
181 H THR 23 H THR 23 -0.183 6.865 6.388
182 HA THR 23 HA THR 23 1.775 6.055 8.450
183 HB THR 23 HB THR 23 2.838 8.307 7.866
184 HG1 THR 23 HG1 THR 23 0.663 8.385 6.345
185 HG21 THR 23 HG21 THR 23 4.137 6.624 7.027
186 HG22 THR 23 HG22 THR 23 3.522 7.218 5.486
187 HG23 THR 23 HG23 THR 23 2.773 5.817 6.254
188 H GLY 24 H GLY 24 -1.224 6.962 8.430
189 HA2 GLY 24 HA2 GLY 24 -1.772 9.345 9.540
190 HA3 GLY 24 HA3 GLY 24 -2.494 7.864 10.165
191 H MET 25 H MET 25 -0.500 10.494 10.867
192 HA MET 25 HA MET 25 1.442 9.998 12.560
193 HB2 MET 25 HB2 MET 25 0.468 11.685 14.186
194 HB3 MET 25 HB3 MET 25 0.565 12.216 12.507
195 HG2 MET 25 HG2 MET 25 -1.639 12.691 12.660
196 HG3 MET 25 HG3 MET 25 -1.913 10.948 12.661
197 HE1 MET 25 HE1 MET 25 -4.368 12.114 15.368
198 HE2 MET 25 HE2 MET 25 -4.115 11.497 13.736
199 HE3 MET 25 HE3 MET 25 -3.853 13.206 14.075
200 HA PRO 26 HA PRO 26 -0.435 6.467 14.817
201 HB2 PRO 26 HB2 PRO 26 2.394 6.432 15.769
202 HB3 PRO 26 HB3 PRO 26 1.382 5.095 15.191
203 HG2 PRO 26 HG2 PRO 26 3.310 6.148 13.678
204 HG3 PRO 26 HG3 PRO 26 1.790 5.559 12.985
205 HD2 PRO 26 HD2 PRO 26 2.710 8.367 13.385
206 HD3 PRO 26 HD3 PRO 26 1.620 7.699 12.149
207 H PHE 27 H PHE 27 0.371 5.871 17.325
208 HA PHE 27 HA PHE 27 -0.047 8.391 18.819
209 HB2 PHE 27 HB2 PHE 27 -1.719 6.231 18.763
210 HB3 PHE 27 HB3 PHE 27 -0.722 5.861 20.169
211 HD1 PHE 27 HD2 PHE 27 -0.436 7.650 21.967
212 HD2 PHE 27 HD1 PHE 27 -3.399 7.899 18.867
213 HE1 PHE 27 HE2 PHE 27 -1.691 9.320 23.302
214 HE2 PHE 27 HE1 PHE 27 -4.655 9.570 20.203
215 HZ PHE 27 HZ PHE 27 -3.800 10.281 22.420
216 H ARG 28 H ARG 28 2.519 7.209 18.014
217 HA ARG 28 HA ARG 28 4.564 6.622 18.901
218 HB2 ARG 28 HB2 ARG 28 3.328 8.621 20.665
219 HB3 ARG 28 HB3 ARG 28 4.601 7.675 21.434
220 HG2 ARG 28 HG2 ARG 28 5.507 9.701 20.324
221 HG3 ARG 28 HG3 ARG 28 6.144 8.219 19.606
222 HD2 ARG 28 HD2 ARG 28 3.639 9.144 18.379
223 HD3 ARG 28 HD3 ARG 28 4.975 10.277 18.197
224 HE ARG 28 HE ARG 28 4.740 7.672 16.961
225 HH11 ARG 28 HH21 ARG 28 6.860 10.174 18.068
226 HH12 ARG 28 HH22 ARG 28 8.149 9.748 16.992
227 HH21 ARG 28 HH11 ARG 28 6.427 7.106 15.549
228 HH22 ARG 28 HH12 ARG 28 7.904 8.010 15.567
229 H ASN 29 H ASN 29 4.934 4.542 19.339
230 HA ASN 29 HA ASN 29 4.554 3.505 21.977
231 HB2 ASN 29 HB2 ASN 29 2.484 3.012 19.975
232 HB3 ASN 29 HB3 ASN 29 3.168 1.525 20.631
233 HD21 ASN 29 HD21 ASN 29 3.237 1.408 23.106
234 HD22 ASN 29 HD22 ASN 29 1.994 2.178 23.968
235 H LEU 30 H LEU 30 4.803 2.428 18.582
236 HA LEU 30 HA LEU 30 7.411 1.267 19.130
237 HB2 LEU 30 HB2 LEU 30 5.747 -0.507 19.762
238 HB3 LEU 30 HB3 LEU 30 5.180 -0.493 18.092
239 HG LEU 30 HG LEU 30 7.409 -1.107 17.294
240 HD11 LEU 30 HD11 LEU 30 9.003 -0.197 18.703
241 HD12 LEU 30 HD12 LEU 30 8.993 -1.856 19.303
242 HD13 LEU 30 HD13 LEU 30 8.097 -0.601 20.161
243 HD21 LEU 30 HD21 LEU 30 7.590 -3.284 18.899
244 HD22 LEU 30 HD22 LEU 30 6.366 -3.119 17.639
245 HD23 LEU 30 HD23 LEU 30 5.964 -2.738 19.314
246 H LYS 31 H LYS 31 5.116 2.666 17.100
247 HA LYS 31 HA LYS 31 5.316 3.525 14.970
248 HB2 LYS 31 HB2 LYS 31 7.894 3.413 15.771
249 HB3 LYS 31 HB3 LYS 31 7.944 2.272 14.427
250 HG2 LYS 31 HG2 LYS 31 6.959 3.947 12.933
251 HG3 LYS 31 HG3 LYS 31 6.831 5.088 14.272
252 HD2 LYS 31 HD2 LYS 31 9.174 5.338 14.440
253 HD3 LYS 31 HD3 LYS 31 9.483 3.871 13.512
254 HE2 LYS 31 HE2 LYS 31 9.565 6.391 12.457
255 HE3 LYS 31 HE3 LYS 31 9.252 4.934 11.513
256 HZ1 LYS 31 HZ1 LYS 31 7.056 6.364 12.869
257 HZ2 LYS 31 HZ2 LYS 31 6.979 5.300 11.547
258 HZ3 LYS 31 HZ3 LYS 31 7.606 6.866 11.346
259 H LEU 32 H LEU 32 3.734 1.489 15.043
260 HA LEU 32 HA LEU 32 4.594 -0.785 13.500
261 HB2 LEU 32 HB2 LEU 32 1.706 -0.080 13.855
262 HB3 LEU 32 HB3 LEU 32 2.487 -1.660 13.898
263 HG LEU 32 HG LEU 32 3.721 -0.486 16.003
264 HD11 LEU 32 HD11 LEU 32 1.908 1.444 15.414
265 HD12 LEU 32 HD12 LEU 32 2.492 1.135 17.048
266 HD13 LEU 32 HD13 LEU 32 0.954 0.455 16.519
267 HD21 LEU 32 HD21 LEU 32 2.660 -2.639 16.154
268 HD22 LEU 32 HD22 LEU 32 1.062 -1.936 15.905
269 HD23 LEU 32 HD23 LEU 32 1.935 -1.631 17.407
270 H ILE 33 H ILE 33 4.941 -0.710 11.385
271 HA ILE 33 HA ILE 33 4.018 1.421 9.727
272 HB ILE 33 HB ILE 33 5.550 -1.110 9.318
273 HG12 ILE 33 HG12 ILE 33 6.547 1.141 9.946
274 HG13 ILE 33 HG13 ILE 33 7.217 0.410 8.488
275 HG21 ILE 33 HG21 ILE 33 4.152 0.477 7.154
276 HG22 ILE 33 HG22 ILE 33 4.080 -1.261 7.438
277 HG23 ILE 33 HG23 ILE 33 5.565 -0.529 6.831
278 HD11 ILE 33 HD11 ILE 33 6.560 2.166 7.242
279 HD12 ILE 33 HD12 ILE 33 6.060 2.972 8.728
280 HD13 ILE 33 HD13 ILE 33 4.901 2.009 7.815
281 H LEU 34 H LEU 34 2.241 1.582 8.492
282 HA LEU 34 HA LEU 34 0.461 -0.776 8.342
283 HB2 LEU 34 HB2 LEU 34 -0.183 2.172 8.528
284 HB3 LEU 34 HB3 LEU 34 -1.379 0.942 8.119
285 HG LEU 34 HG LEU 34 0.162 0.168 10.460
286 HD11 LEU 34 HD11 LEU 34 -0.786 1.892 11.979
287 HD12 LEU 34 HD12 LEU 34 -1.382 2.777 10.574
288 HD13 LEU 34 HD13 LEU 34 0.353 2.586 10.825
289 HD21 LEU 34 HD21 LEU 34 -2.785 0.819 10.192
290 HD22 LEU 34 HD22 LEU 34 -2.031 -0.286 11.340
291 HD23 LEU 34 HD23 LEU 34 -2.083 -0.695 9.625
292 H GLN 35 H GLN 35 1.706 -1.339 6.400
293 HA GLN 35 HA GLN 35 0.773 0.199 4.052
294 HB2 GLN 35 HB2 GLN 35 3.162 0.553 4.315
295 HB3 GLN 35 HB3 GLN 35 3.436 -1.185 4.447
296 HG2 GLN 35 HG2 GLN 35 2.499 -1.468 2.152
297 HG3 GLN 35 HG3 GLN 35 2.356 0.284 2.025
298 HE21 GLN 35 HE21 GLN 35 4.979 0.377 3.747
299 HE22 GLN 35 HE22 GLN 35 6.194 0.126 2.589
300 H GLY 36 H GLY 36 -0.338 -0.934 2.591
301 HA2 GLY 36 HA2 GLY 36 0.133 -3.727 2.081
302 HA3 GLY 36 HA3 GLY 36 -1.372 -3.442 2.950
303 H CYS 37 H CYS 37 -1.942 -4.537 0.712
304 HA CYS 37 HA CYS 37 -2.349 -2.435 -1.316
305 HB2 CYS 37 HB2 CYS 37 -3.085 -5.189 -2.017
306 HB3 CYS 37 HB3 CYS 37 -2.119 -4.017 -2.913
307 H SER 38 H SER 38 -4.416 -2.501 -2.495
308 HA SER 38 HA SER 38 -6.699 -3.753 -1.278
309 HB2 SER 38 HB2 SER 38 -6.006 -1.611 0.129
310 HB3 SER 38 HB3 SER 38 -6.856 -0.774 -1.166
311 HG SER 38 HG SER 38 -8.294 -1.336 0.484
312 H SER 39 H SER 39 -8.424 -3.794 -2.655
313 HA SER 39 HA SER 39 -7.981 -3.083 -5.379
314 HB2 SER 39 HB2 SER 39 -10.770 -3.558 -4.600
315 HB3 SER 39 HB3 SER 39 -9.771 -4.401 -5.781
316 HG SER 39 HG SER 39 -9.177 -5.791 -4.292
317 H SER 40 H SER 40 -9.883 -1.680 -2.748
318 HA SER 40 HA SER 40 -10.289 0.721 -4.428
319 HB2 SER 40 HB2 SER 40 -12.342 -0.827 -3.786
320 HB3 SER 40 HB3 SER 40 -12.227 0.043 -2.259
321 HG SER 40 HG SER 40 -12.968 0.917 -4.777
322 H CYS 41 H CYS 41 -8.323 1.538 -3.465
323 HA CYS 41 HA CYS 41 -8.227 1.959 -0.602
324 HB2 CYS 41 HB2 CYS 41 -6.165 1.575 -1.894
325 HB3 CYS 41 HB3 CYS 41 -6.465 3.051 -2.810
326 H SER 42 H SER 42 -8.110 4.075 0.385
327 HA SER 42 HA SER 42 -9.732 6.079 -1.066
328 HB2 SER 42 HB2 SER 42 -9.935 4.955 1.611
329 HB3 SER 42 HB3 SER 42 -9.846 6.714 1.641
330 HG SER 42 HG SER 42 -11.978 6.130 1.353
331 H GLU 43 H GLU 43 -7.824 7.008 -1.996
332 HA GLU 43 HA GLU 43 -5.495 7.820 -0.904
333 HB2 GLU 43 HB2 GLU 43 -6.685 8.400 -3.216
334 HB3 GLU 43 HB3 GLU 43 -6.971 9.936 -2.397
335 HG2 GLU 43 HG2 GLU 43 -4.262 8.598 -2.627
336 HG3 GLU 43 HG3 GLU 43 -4.821 9.898 -3.677
337 H THR 44 H THR 44 -4.836 9.034 0.753
338 HA THR 44 HA THR 44 -6.297 11.361 1.637
339 HB THR 44 HB THR 44 -6.112 10.062 4.063
340 HG1 THR 44 HG1 THR 44 -7.577 8.209 2.765
341 HG21 THR 44 HG21 THR 44 -8.683 9.729 3.592
342 HG22 THR 44 HG22 THR 44 -8.324 10.629 2.120
343 HG23 THR 44 HG23 THR 44 -8.011 11.355 3.695
344 H GLU 45 H GLU 45 -5.038 12.719 2.920
345 HA GLU 45 HA GLU 45 -2.332 12.805 2.621
346 HB2 GLU 45 HB2 GLU 45 -4.090 14.379 3.912
347 HB3 GLU 45 HB3 GLU 45 -3.300 13.637 5.304
348 HG2 GLU 45 HG2 GLU 45 -1.081 14.223 4.154
349 HG3 GLU 45 HG3 GLU 45 -2.035 15.253 3.088
350 H ASN 46 H ASN 46 -4.114 11.121 5.176
351 HA ASN 46 HA ASN 46 -1.697 10.127 6.425
352 HB2 ASN 46 HB2 ASN 46 -3.366 10.405 8.007
353 HB3 ASN 46 HB3 ASN 46 -4.639 9.874 6.910
354 HD21 ASN 46 HD21 ASN 46 -5.302 8.362 8.704
355 HD22 ASN 46 HD22 ASN 46 -4.457 6.903 8.900
356 H ASN 47 H ASN 47 -4.410 8.756 4.573
357 HA ASN 47 HA ASN 47 -2.786 6.337 4.103
358 HB2 ASN 47 HB2 ASN 47 -4.714 5.424 4.904
359 HB3 ASN 47 HB3 ASN 47 -5.685 6.827 4.466
360 HD21 ASN 47 HD21 ASN 47 -4.002 4.017 2.963
361 HD22 ASN 47 HD22 ASN 47 -5.091 3.875 1.669
362 H LYS 48 H LYS 48 -1.628 6.692 2.289
363 HA LYS 48 HA LYS 48 -2.937 7.977 -0.011
364 HB2 LYS 48 HB2 LYS 48 -0.050 7.330 0.604
365 HB3 LYS 48 HB3 LYS 48 -0.593 7.955 -0.955
366 HG2 LYS 48 HG2 LYS 48 -1.532 9.934 0.139
367 HG3 LYS 48 HG3 LYS 48 -1.060 9.308 1.718
368 HD2 LYS 48 HD2 LYS 48 0.596 10.936 0.962
369 HD3 LYS 48 HD3 LYS 48 1.319 9.327 0.978
370 HE2 LYS 48 HE2 LYS 48 1.618 9.325 -1.267
371 HE3 LYS 48 HE3 LYS 48 0.008 9.980 -1.565
372 HZ1 LYS 48 HZ1 LYS 48 0.847 12.002 -1.809
373 HZ2 LYS 48 HZ2 LYS 48 2.402 11.321 -1.762
374 HZ3 LYS 48 HZ3 LYS 48 1.688 11.913 -0.339
375 H CYS 49 H CYS 49 -2.768 7.022 -2.127
376 HA CYS 49 HA CYS 49 -2.318 4.106 -2.114
377 HB2 CYS 49 HB2 CYS 49 -4.544 5.189 -3.771
378 HB3 CYS 49 HB3 CYS 49 -4.367 3.606 -3.013
379 H CYS 50 H CYS 50 -0.870 3.573 -3.593
380 HA CYS 50 HA CYS 50 -0.609 5.274 -5.999
381 HB2 CYS 50 HB2 CYS 50 1.719 4.628 -6.102
382 HB3 CYS 50 HB3 CYS 50 1.382 5.238 -4.483
383 H SER 51 H SER 51 -0.314 4.244 -8.005
384 HA SER 51 HA SER 51 -1.206 1.425 -8.034
385 HB2 SER 51 HB2 SER 51 -1.420 3.179 -10.437
386 HB3 SER 51 HB3 SER 51 -2.448 1.843 -9.931
387 HG SER 51 HG SER 51 -3.551 3.728 -9.530
388 H THR 52 H THR 52 1.551 2.225 -7.717
389 HA THR 52 HA THR 52 2.644 1.147 -10.245
390 HB THR 52 HB THR 52 4.411 2.790 -8.523
391 HG1 THR 52 HG1 THR 52 2.049 3.686 -9.602
392 HG21 THR 52 HG21 THR 52 5.078 3.603 -10.825
393 HG22 THR 52 HG22 THR 52 3.908 2.462 -11.490
394 HG23 THR 52 HG23 THR 52 5.289 1.871 -10.566
395 H ASP 53 H ASP 53 5.315 1.036 -9.085
396 HA ASP 53 HA ASP 53 4.915 -1.285 -7.300
397 HB2 ASP 53 HB2 ASP 53 7.410 -0.725 -8.894
398 HB3 ASP 53 HB3 ASP 53 6.868 -2.254 -8.201
399 H ARG 54 H ARG 54 6.202 -1.504 -5.460
400 HA ARG 54 HA ARG 54 7.027 -0.558 -3.500
401 HB2 ARG 54 HB2 ARG 54 9.380 0.189 -3.812
402 HB3 ARG 54 HB3 ARG 54 9.035 -1.340 -4.621
403 HG2 ARG 54 HG2 ARG 54 8.828 -0.246 -6.762
404 HG3 ARG 54 HG3 ARG 54 8.917 1.348 -6.012
405 HD2 ARG 54 HD2 ARG 54 11.214 0.744 -5.179
406 HD3 ARG 54 HD3 ARG 54 11.116 -0.731 -6.134
407 HE ARG 54 HE ARG 54 11.583 1.939 -7.134
408 HH11 ARG 54 HH21 ARG 54 10.359 -1.227 -7.810
409 HH12 ARG 54 HH22 ARG 54 10.613 -1.111 -9.520
410 HH21 ARG 54 HH11 ARG 54 11.919 2.098 -9.377
411 HH22 ARG 54 HH12 ARG 54 11.494 0.771 -10.405
412 H CYS 55 H CYS 55 5.214 1.206 -5.006
413 HA CYS 55 HA CYS 55 6.349 3.873 -4.717
414 HB2 CYS 55 HB2 CYS 55 3.944 4.520 -5.381
415 HB3 CYS 55 HB3 CYS 55 4.928 3.690 -6.588
416 H ASN 56 H ASN 56 4.810 1.624 -2.736
417 HA ASN 56 HA ASN 56 3.009 2.870 -1.152
418 HB2 ASN 56 HB2 ASN 56 4.016 1.635 0.788
419 HB3 ASN 56 HB3 ASN 56 3.728 0.633 -0.635
420 HD21 ASN 56 HD21 ASN 56 6.244 2.093 1.372
421 HD22 ASN 56 HD22 ASN 56 7.544 1.280 0.641
422 H LYS 57 H LYS 57 6.539 3.256 -0.861
423 HA LYS 57 HA LYS 57 6.694 4.958 1.291
424 HB2 LYS 57 HB2 LYS 57 8.572 6.037 -0.388
425 HB3 LYS 57 HB3 LYS 57 8.817 4.596 0.599
426 HG2 LYS 57 HG2 LYS 57 8.286 3.141 -1.209
427 HG3 LYS 57 HG3 LYS 57 7.614 4.458 -2.170
428 HD2 LYS 57 HD2 LYS 57 9.781 4.032 -3.080
429 HD3 LYS 57 HD3 LYS 57 9.943 5.503 -2.121
430 HE2 LYS 57 HE2 LYS 57 10.378 3.288 -0.377
431 HE3 LYS 57 HE3 LYS 57 11.355 3.030 -1.824
432 HZ1 LYS 57 HZ1 LYS 57 12.467 4.366 -0.079
433 HZ2 LYS 57 HZ2 LYS 57 11.291 5.573 -0.295
434 HZ3 LYS 57 HZ3 LYS 57 12.341 5.167 -1.567
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 2.662 -6.029 -11.449
2 H2 LEU 1 H2 LEU 1 3.880 -5.554 -10.365
3 H3 LEU 1 H3 LEU 1 3.228 -4.430 -11.459
4 HA LEU 1 HA LEU 1 1.969 -3.804 -9.731
5 HB2 LEU 1 HB2 LEU 1 0.722 -6.246 -10.930
6 HB3 LEU 1 HB3 LEU 1 -0.030 -5.545 -9.498
7 HG LEU 1 HG LEU 1 0.026 -3.308 -10.690
8 HD11 LEU 1 HD11 LEU 1 0.385 -3.278 -13.076
9 HD12 LEU 1 HD12 LEU 1 0.538 -5.034 -13.128
10 HD13 LEU 1 HD13 LEU 1 1.785 -4.062 -12.344
11 HD21 LEU 1 HD21 LEU 1 -1.596 -5.681 -11.545
12 HD22 LEU 1 HD22 LEU 1 -1.804 -4.159 -12.411
13 HD23 LEU 1 HD23 LEU 1 -2.107 -4.235 -10.675
14 H LYS 2 H LYS 2 3.395 -3.957 -7.962
15 HA LYS 2 HA LYS 2 2.616 -5.923 -5.977
16 HB2 LYS 2 HB2 LYS 2 4.654 -7.015 -5.703
17 HB3 LYS 2 HB3 LYS 2 4.545 -6.882 -7.457
18 HG2 LYS 2 HG2 LYS 2 5.770 -4.581 -7.060
19 HG3 LYS 2 HG3 LYS 2 6.266 -5.337 -5.547
20 HD2 LYS 2 HD2 LYS 2 7.968 -6.180 -6.806
21 HD3 LYS 2 HD3 LYS 2 6.756 -7.359 -7.309
22 HE2 LYS 2 HE2 LYS 2 6.248 -6.120 -9.299
23 HE3 LYS 2 HE3 LYS 2 7.177 -4.727 -8.743
24 HZ1 LYS 2 HZ1 LYS 2 8.086 -7.192 -9.962
25 HZ2 LYS 2 HZ2 LYS 2 9.015 -6.661 -8.642
26 HZ3 LYS 2 HZ3 LYS 2 8.784 -5.646 -9.985
27 H CYS 3 H CYS 3 3.527 -5.445 -3.861
28 HA CYS 3 HA CYS 3 4.896 -2.905 -3.517
29 HB2 CYS 3 HB2 CYS 3 2.753 -2.640 -1.743
30 HB3 CYS 3 HB3 CYS 3 3.033 -1.695 -3.205
31 H TYR 4 H TYR 4 4.874 -2.455 -0.974
32 HA TYR 4 HA TYR 4 6.023 -4.851 0.202
33 HB2 TYR 4 HB2 TYR 4 5.953 -1.944 0.958
34 HB3 TYR 4 HB3 TYR 4 6.486 -3.167 2.112
35 HD1 TYR 4 HD1 TYR 4 8.179 -4.963 1.082
36 HD2 TYR 4 HD2 TYR 4 7.563 -0.990 -0.428
37 HE1 TYR 4 HE1 TYR 4 10.396 -5.039 -0.021
38 HE2 TYR 4 HE2 TYR 4 9.782 -1.065 -1.532
39 HH TYR 4 HH TYR 4 11.403 -2.633 -2.297
40 H GLN 5 H GLN 5 4.242 -6.147 0.606
41 HA GLN 5 HA GLN 5 2.151 -5.119 2.391
42 HB2 GLN 5 HB2 GLN 5 1.417 -6.391 0.436
43 HB3 GLN 5 HB3 GLN 5 2.400 -7.764 0.945
44 HG2 GLN 5 HG2 GLN 5 0.828 -8.456 2.403
45 HG3 GLN 5 HG3 GLN 5 0.677 -6.843 3.098
46 HE21 GLN 5 HE21 GLN 5 -1.025 -9.173 1.348
47 HE22 GLN 5 HE22 GLN 5 -2.216 -8.164 0.680
48 H HIS 6 H HIS 6 4.783 -7.468 2.306
49 HA HIS 6 HA HIS 6 4.426 -7.834 5.214
50 HB2 HIS 6 HB2 HIS 6 4.048 -9.820 3.271
51 HB3 HIS 6 HB3 HIS 6 5.638 -10.148 3.958
52 HD1 HIS 6 HD1 HIS 6 2.006 -10.171 4.770
53 HD2 HIS 6 HD2 HIS 6 5.609 -10.678 6.803
54 HE1 HIS 6 HE1 HIS 6 1.421 -11.154 7.030
55 H GLY 7 H GLY 7 6.169 -6.017 3.733
56 HA2 GLY 7 HA2 GLY 7 8.296 -5.224 4.348
57 HA3 GLY 7 HA3 GLY 7 8.686 -6.821 4.976
58 H LYS 8 H LYS 8 7.391 -7.583 2.134
59 HA LYS 8 HA LYS 8 9.833 -7.080 0.559
60 HB2 LYS 8 HB2 LYS 8 8.611 -9.727 0.156
61 HB3 LYS 8 HB3 LYS 8 10.312 -9.273 0.263
62 HG2 LYS 8 HG2 LYS 8 10.149 -9.117 2.700
63 HG3 LYS 8 HG3 LYS 8 8.425 -9.482 2.627
64 HD2 LYS 8 HD2 LYS 8 9.187 -11.616 3.005
65 HD3 LYS 8 HD3 LYS 8 9.360 -11.597 1.248
66 HE2 LYS 8 HE2 LYS 8 11.483 -12.302 1.878
67 HE3 LYS 8 HE3 LYS 8 11.726 -10.556 1.807
68 HZ1 LYS 8 HZ1 LYS 8 11.197 -12.200 4.219
69 HZ2 LYS 8 HZ2 LYS 8 11.168 -10.502 4.215
70 HZ3 LYS 8 HZ3 LYS 8 12.607 -11.329 3.855
71 H VAL 9 H VAL 9 9.296 -6.133 -1.296
72 HA VAL 9 HA VAL 9 6.835 -5.545 -2.271
73 HB VAL 9 HB VAL 9 8.153 -6.004 -4.619
74 HG11 VAL 9 HG11 VAL 9 7.217 -3.864 -3.639
75 HG12 VAL 9 HG12 VAL 9 8.732 -3.670 -4.520
76 HG13 VAL 9 HG13 VAL 9 8.733 -3.687 -2.757
77 HG21 VAL 9 HG21 VAL 9 10.011 -6.955 -3.024
78 HG22 VAL 9 HG22 VAL 9 10.346 -5.254 -2.703
79 HG23 VAL 9 HG23 VAL 9 10.475 -5.883 -4.344
80 H VAL 10 H VAL 10 5.326 -7.195 -1.952
81 HA VAL 10 HA VAL 10 5.686 -9.614 -3.610
82 HB VAL 10 HB VAL 10 3.876 -10.575 -2.157
83 HG11 VAL 10 HG11 VAL 10 6.615 -10.200 -1.646
84 HG12 VAL 10 HG12 VAL 10 5.561 -11.407 -0.911
85 HG13 VAL 10 HG13 VAL 10 5.811 -9.854 -0.115
86 HG21 VAL 10 HG21 VAL 10 3.295 -8.038 -1.485
87 HG22 VAL 10 HG22 VAL 10 4.403 -8.417 -0.166
88 HG23 VAL 10 HG23 VAL 10 2.954 -9.393 -0.408
89 H THR 11 H THR 11 4.136 -10.232 -5.073
90 HA THR 11 HA THR 11 2.541 -8.188 -6.241
91 HB THR 11 HB THR 11 2.263 -11.163 -6.690
92 HG1 THR 11 HG1 THR 11 4.242 -11.034 -7.339
93 HG21 THR 11 HG21 THR 11 1.210 -8.730 -7.921
94 HG22 THR 11 HG22 THR 11 0.683 -10.401 -8.113
95 HG23 THR 11 HG23 THR 11 2.021 -9.780 -9.082
96 H CYS 12 H CYS 12 1.080 -7.391 -4.730
97 HA CYS 12 HA CYS 12 -0.502 -8.643 -2.919
98 HB2 CYS 12 HB2 CYS 12 -1.435 -6.485 -4.827
99 HB3 CYS 12 HB3 CYS 12 -2.175 -6.886 -3.275
100 H HIS 13 H HIS 13 -2.757 -9.357 -2.975
101 HA HIS 13 HA HIS 13 -3.262 -11.525 -4.529
102 HB2 HIS 13 HB2 HIS 13 -5.163 -9.544 -3.290
103 HB3 HIS 13 HB3 HIS 13 -5.726 -11.004 -4.098
104 HD1 HIS 13 HD1 HIS 13 -4.832 -9.869 -0.848
105 HD2 HIS 13 HD2 HIS 13 -4.140 -13.397 -2.959
106 HE1 HIS 13 HE1 HIS 13 -4.232 -11.629 0.873
107 H ARG 14 H ARG 14 -4.985 -11.839 -6.202
108 HA ARG 14 HA ARG 14 -4.369 -10.308 -8.524
109 HB2 ARG 14 HB2 ARG 14 -6.350 -12.481 -7.894
110 HB3 ARG 14 HB3 ARG 14 -6.393 -11.648 -9.448
111 HG2 ARG 14 HG2 ARG 14 -3.684 -12.438 -8.682
112 HG3 ARG 14 HG3 ARG 14 -4.775 -13.817 -8.820
113 HD2 ARG 14 HD2 ARG 14 -3.653 -13.232 -10.980
114 HD3 ARG 14 HD3 ARG 14 -5.411 -13.161 -11.066
115 HE ARG 14 HE ARG 14 -5.268 -10.838 -11.317
116 HH11 ARG 14 HH21 ARG 14 -2.222 -12.250 -10.473
117 HH12 ARG 14 HH22 ARG 14 -1.311 -10.813 -10.793
118 HH21 ARG 14 HH11 ARG 14 -4.079 -8.949 -11.735
119 HH22 ARG 14 HH12 ARG 14 -2.362 -8.945 -11.506
120 H ASP 15 H ASP 15 -6.740 -10.026 -6.030
121 HA ASP 15 HA ASP 15 -8.570 -8.393 -7.567
122 HB2 ASP 15 HB2 ASP 15 -9.507 -9.717 -5.796
123 HB3 ASP 15 HB3 ASP 15 -8.375 -9.046 -4.622
124 H MET 16 H MET 16 -6.186 -7.860 -4.976
125 HA MET 16 HA MET 16 -6.551 -5.067 -4.773
126 HB2 MET 16 HB2 MET 16 -4.245 -6.892 -4.092
127 HB3 MET 16 HB3 MET 16 -4.207 -5.159 -3.780
128 HG2 MET 16 HG2 MET 16 -5.632 -5.324 -2.024
129 HG3 MET 16 HG3 MET 16 -6.680 -6.462 -2.872
130 HE1 MET 16 HE1 MET 16 -6.260 -6.400 -0.060
131 HE2 MET 16 HE2 MET 16 -4.540 -6.291 0.304
132 HE3 MET 16 HE3 MET 16 -5.418 -7.773 0.674
133 H LYS 17 H LYS 17 -6.211 -3.614 -6.323
134 HA LYS 17 HA LYS 17 -3.997 -4.084 -8.230
135 HB2 LYS 17 HB2 LYS 17 -6.555 -4.002 -8.960
136 HB3 LYS 17 HB3 LYS 17 -6.255 -2.264 -8.922
137 HG2 LYS 17 HG2 LYS 17 -4.070 -2.953 -10.263
138 HG3 LYS 17 HG3 LYS 17 -5.050 -4.356 -10.689
139 HD2 LYS 17 HD2 LYS 17 -6.874 -2.420 -11.113
140 HD3 LYS 17 HD3 LYS 17 -5.406 -1.499 -11.440
141 HE2 LYS 17 HE2 LYS 17 -4.726 -3.537 -12.910
142 HE3 LYS 17 HE3 LYS 17 -6.438 -3.957 -12.844
143 HZ1 LYS 17 HZ1 LYS 17 -5.482 -2.374 -14.691
144 HZ2 LYS 17 HZ2 LYS 17 -5.728 -1.194 -13.493
145 HZ3 LYS 17 HZ3 LYS 17 -7.031 -2.138 -14.042
146 H PHE 18 H PHE 18 -4.639 -2.402 -5.567
147 HA PHE 18 HA PHE 18 -3.017 -0.105 -6.453
148 HB2 PHE 18 HB2 PHE 18 -5.410 0.159 -4.628
149 HB3 PHE 18 HB3 PHE 18 -4.394 1.458 -5.246
150 HD1 PHE 18 HD2 PHE 18 -4.293 1.821 -7.779
151 HD2 PHE 18 HD1 PHE 18 -7.266 -0.621 -5.871
152 HE1 PHE 18 HE2 PHE 18 -5.727 1.993 -9.795
153 HE2 PHE 18 HE1 PHE 18 -8.701 -0.449 -7.886
154 HZ PHE 18 HZ PHE 18 -7.931 0.859 -9.848
155 H CYS 19 H CYS 19 -1.403 0.374 -5.113
156 HA CYS 19 HA CYS 19 -1.270 -1.058 -2.537
157 HB2 CYS 19 HB2 CYS 19 0.975 0.334 -4.018
158 HB3 CYS 19 HB3 CYS 19 1.122 -0.766 -2.647
159 H TYR 20 H TYR 20 -0.764 0.114 -0.622
160 HA TYR 20 HA TYR 20 -0.693 3.030 -0.900
161 HB2 TYR 20 HB2 TYR 20 -2.486 3.389 0.648
162 HB3 TYR 20 HB3 TYR 20 -3.078 2.299 -0.602
163 HD1 TYR 20 HD1 TYR 20 -3.231 -0.157 -0.147
164 HD2 TYR 20 HD2 TYR 20 -2.273 2.684 2.929
165 HE1 TYR 20 HE1 TYR 20 -3.768 -1.849 1.584
166 HE2 TYR 20 HE2 TYR 20 -2.810 0.990 4.660
167 HH TYR 20 HH TYR 20 -4.524 -1.329 4.490
168 H HIS 21 H HIS 21 0.154 4.151 0.859
169 HA HIS 21 HA HIS 21 1.620 2.472 2.806
170 HB2 HIS 21 HB2 HIS 21 2.771 4.072 0.968
171 HB3 HIS 21 HB3 HIS 21 2.524 5.246 2.260
172 HD1 HIS 21 HD1 HIS 21 3.350 1.564 2.693
173 HD2 HIS 21 HD2 HIS 21 5.085 5.295 3.368
174 HE1 HIS 21 HE1 HIS 21 5.486 1.138 3.984
175 H ASN 22 H ASN 22 0.387 2.528 4.610
176 HA ASN 22 HA ASN 22 -1.139 4.836 5.374
177 HB2 ASN 22 HB2 ASN 22 -1.815 2.505 5.919
178 HB3 ASN 22 HB3 ASN 22 -0.437 2.393 7.013
179 HD21 ASN 22 HD21 ASN 22 -3.720 3.350 6.806
180 HD22 ASN 22 HD22 ASN 22 -3.805 4.186 8.281
181 H THR 23 H THR 23 -0.680 6.390 6.834
182 HA THR 23 HA THR 23 1.886 6.219 8.283
183 HB THR 23 HB THR 23 1.835 8.837 7.859
184 HG1 THR 23 HG1 THR 23 0.127 7.702 5.976
185 HG21 THR 23 HG21 THR 23 3.685 7.426 7.200
186 HG22 THR 23 HG22 THR 23 3.238 8.420 5.813
187 HG23 THR 23 HG23 THR 23 2.741 6.728 5.883
188 H GLY 24 H GLY 24 -1.326 6.276 8.609
189 HA2 GLY 24 HA2 GLY 24 -2.294 8.220 10.163
190 HA3 GLY 24 HA3 GLY 24 -2.537 6.534 10.598
191 H MET 25 H MET 25 -0.528 5.551 11.716
192 HA MET 25 HA MET 25 0.646 5.460 13.695
193 HB2 MET 25 HB2 MET 25 2.179 6.753 12.140
194 HB3 MET 25 HB3 MET 25 1.595 8.221 12.923
195 HG2 MET 25 HG2 MET 25 2.238 6.456 15.022
196 HG3 MET 25 HG3 MET 25 3.564 6.321 13.867
197 HE1 MET 25 HE1 MET 25 2.276 7.854 16.764
198 HE2 MET 25 HE2 MET 25 3.417 9.161 17.073
199 HE3 MET 25 HE3 MET 25 4.012 7.519 16.836
200 HA PRO 26 HA PRO 26 -2.636 8.272 15.661
201 HB2 PRO 26 HB2 PRO 26 -3.061 5.714 17.125
202 HB3 PRO 26 HB3 PRO 26 -4.253 6.846 16.459
203 HG2 PRO 26 HG2 PRO 26 -3.728 4.498 15.296
204 HG3 PRO 26 HG3 PRO 26 -4.137 5.945 14.359
205 HD2 PRO 26 HD2 PRO 26 -1.487 4.615 14.709
206 HD3 PRO 26 HD3 PRO 26 -2.118 5.535 13.325
207 H PHE 27 H PHE 27 -2.811 8.743 18.033
208 HA PHE 27 HA PHE 27 -0.242 9.050 19.202
209 HB2 PHE 27 HB2 PHE 27 -2.950 9.307 20.535
210 HB3 PHE 27 HB3 PHE 27 -1.428 10.001 21.099
211 HD1 PHE 27 HD2 PHE 27 -4.092 10.204 18.558
212 HD2 PHE 27 HD1 PHE 27 -0.412 11.911 19.970
213 HE1 PHE 27 HE2 PHE 27 -4.466 12.195 17.127
214 HE2 PHE 27 HE1 PHE 27 -0.786 13.902 18.539
215 HZ PHE 27 HZ PHE 27 -2.813 14.043 17.116
216 H ARG 28 H ARG 28 -1.852 8.315 21.872
217 HA ARG 28 HA ARG 28 -0.336 6.156 22.667
218 HB2 ARG 28 HB2 ARG 28 -2.240 7.668 23.866
219 HB3 ARG 28 HB3 ARG 28 -3.117 6.150 23.673
220 HG2 ARG 28 HG2 ARG 28 -0.829 5.128 24.580
221 HG3 ARG 28 HG3 ARG 28 -0.672 6.734 25.291
222 HD2 ARG 28 HD2 ARG 28 -3.136 6.355 26.072
223 HD3 ARG 28 HD3 ARG 28 -2.788 4.653 25.780
224 HE ARG 28 HE ARG 28 -1.783 6.260 27.949
225 HH11 ARG 28 HH21 ARG 28 -1.174 3.574 25.852
226 HH12 ARG 28 HH22 ARG 28 -0.130 2.762 26.970
227 HH21 ARG 28 HH11 ARG 28 -0.415 5.200 29.418
228 HH22 ARG 28 HH12 ARG 28 0.300 3.683 28.987
229 H ASN 29 H ASN 29 -0.170 4.682 20.920
230 HA ASN 29 HA ASN 29 -2.290 2.681 20.915
231 HB2 ASN 29 HB2 ASN 29 -1.399 4.117 18.407
232 HB3 ASN 29 HB3 ASN 29 -2.324 2.615 18.411
233 HD21 ASN 29 HD21 ASN 29 -4.576 2.811 18.588
234 HD22 ASN 29 HD22 ASN 29 -5.382 4.248 19.000
235 H LEU 30 H LEU 30 -1.322 1.246 18.680
236 HA LEU 30 HA LEU 30 1.512 0.747 19.186
237 HB2 LEU 30 HB2 LEU 30 -0.260 -0.671 20.675
238 HB3 LEU 30 HB3 LEU 30 -0.136 -1.705 19.252
239 HG LEU 30 HG LEU 30 2.462 -1.236 19.564
240 HD11 LEU 30 HD11 LEU 30 1.503 0.162 21.721
241 HD12 LEU 30 HD12 LEU 30 3.135 -0.497 21.608
242 HD13 LEU 30 HD13 LEU 30 1.876 -1.399 22.451
243 HD21 LEU 30 HD21 LEU 30 0.985 -3.150 21.394
244 HD22 LEU 30 HD22 LEU 30 2.617 -3.339 20.752
245 HD23 LEU 30 HD23 LEU 30 1.226 -3.436 19.671
246 H LYS 31 H LYS 31 -1.272 0.665 17.223
247 HA LYS 31 HA LYS 31 -0.233 -1.124 15.208
248 HB2 LYS 31 HB2 LYS 31 -2.570 0.798 15.228
249 HB3 LYS 31 HB3 LYS 31 -2.178 -0.259 13.871
250 HG2 LYS 31 HG2 LYS 31 -2.510 -1.372 16.652
251 HG3 LYS 31 HG3 LYS 31 -3.906 -1.115 15.606
252 HD2 LYS 31 HD2 LYS 31 -2.649 -2.450 13.828
253 HD3 LYS 31 HD3 LYS 31 -1.521 -2.905 15.106
254 HE2 LYS 31 HE2 LYS 31 -2.938 -4.544 15.714
255 HE3 LYS 31 HE3 LYS 31 -4.118 -3.311 16.159
256 HZ1 LYS 31 HZ1 LYS 31 -4.501 -3.309 13.574
257 HZ2 LYS 31 HZ2 LYS 31 -5.289 -4.426 14.583
258 HZ3 LYS 31 HZ3 LYS 31 -3.910 -4.892 13.706
259 H LEU 32 H LEU 32 1.862 -0.031 14.992
260 HA LEU 32 HA LEU 32 2.155 2.610 14.065
261 HB2 LEU 32 HB2 LEU 32 3.979 0.280 13.442
262 HB3 LEU 32 HB3 LEU 32 4.406 1.991 13.486
263 HG LEU 32 HG LEU 32 3.164 0.882 15.948
264 HD11 LEU 32 HD11 LEU 32 5.517 0.115 16.649
265 HD12 LEU 32 HD12 LEU 32 5.895 0.093 14.926
266 HD13 LEU 32 HD13 LEU 32 4.624 -0.951 15.564
267 HD21 LEU 32 HD21 LEU 32 5.706 2.460 15.803
268 HD22 LEU 32 HD22 LEU 32 4.388 2.568 16.970
269 HD23 LEU 32 HD23 LEU 32 4.199 3.261 15.360
270 H ILE 33 H ILE 33 3.818 2.102 11.749
271 HA ILE 33 HA ILE 33 2.339 2.798 9.648
272 HB ILE 33 HB ILE 33 4.584 0.778 9.675
273 HG12 ILE 33 HG12 ILE 33 4.424 3.720 8.935
274 HG13 ILE 33 HG13 ILE 33 5.105 3.078 10.431
275 HG21 ILE 33 HG21 ILE 33 3.008 1.978 7.405
276 HG22 ILE 33 HG22 ILE 33 3.545 0.311 7.619
277 HG23 ILE 33 HG23 ILE 33 4.707 1.563 7.183
278 HD11 ILE 33 HD11 ILE 33 6.478 3.502 8.028
279 HD12 ILE 33 HD12 ILE 33 6.242 1.756 8.104
280 HD13 ILE 33 HD13 ILE 33 7.063 2.593 9.423
281 H LEU 34 H LEU 34 0.926 1.965 8.202
282 HA LEU 34 HA LEU 34 0.119 -0.854 8.551
283 HB2 LEU 34 HB2 LEU 34 -1.477 1.617 8.783
284 HB3 LEU 34 HB3 LEU 34 -2.207 0.349 7.801
285 HG LEU 34 HG LEU 34 -0.987 -0.493 10.384
286 HD11 LEU 34 HD11 LEU 34 -3.286 1.396 10.130
287 HD12 LEU 34 HD12 LEU 34 -2.075 1.264 11.406
288 HD13 LEU 34 HD13 LEU 34 -3.404 0.107 11.328
289 HD21 LEU 34 HD21 LEU 34 -3.741 -1.227 9.554
290 HD22 LEU 34 HD22 LEU 34 -2.434 -2.252 10.147
291 HD23 LEU 34 HD23 LEU 34 -2.451 -1.734 8.462
292 H GLN 35 H GLN 35 1.868 -0.572 6.694
293 HA GLN 35 HA GLN 35 0.836 0.290 4.145
294 HB2 GLN 35 HB2 GLN 35 2.911 -0.710 3.251
295 HB3 GLN 35 HB3 GLN 35 3.242 0.355 4.619
296 HG2 GLN 35 HG2 GLN 35 3.295 -1.615 6.123
297 HG3 GLN 35 HG3 GLN 35 3.011 -2.667 4.738
298 HE21 GLN 35 HE21 GLN 35 4.729 -1.311 2.846
299 HE22 GLN 35 HE22 GLN 35 6.332 -1.520 3.365
300 H GLY 36 H GLY 36 0.003 -0.923 2.511
301 HA2 GLY 36 HA2 GLY 36 0.094 -3.710 2.239
302 HA3 GLY 36 HA3 GLY 36 -1.380 -3.310 3.117
303 H CYS 37 H CYS 37 -2.082 -4.427 0.937
304 HA CYS 37 HA CYS 37 -2.383 -2.360 -1.152
305 HB2 CYS 37 HB2 CYS 37 -3.291 -5.095 -1.760
306 HB3 CYS 37 HB3 CYS 37 -2.302 -3.994 -2.718
307 H SER 38 H SER 38 -4.503 -2.447 -2.333
308 HA SER 38 HA SER 38 -6.814 -3.512 -1.047
309 HB2 SER 38 HB2 SER 38 -5.934 -1.384 0.328
310 HB3 SER 38 HB3 SER 38 -6.873 -0.543 -0.903
311 HG SER 38 HG SER 38 -8.494 -1.056 0.337
312 H SER 39 H SER 39 -8.330 -3.728 -2.561
313 HA SER 39 HA SER 39 -7.957 -2.799 -5.206
314 HB2 SER 39 HB2 SER 39 -10.044 -4.285 -3.727
315 HB3 SER 39 HB3 SER 39 -10.588 -3.431 -5.168
316 HG SER 39 HG SER 39 -9.864 -5.328 -5.936
317 H SER 40 H SER 40 -9.787 -1.554 -2.473
318 HA SER 40 HA SER 40 -10.517 0.796 -4.117
319 HB2 SER 40 HB2 SER 40 -12.053 -0.253 -1.735
320 HB3 SER 40 HB3 SER 40 -12.537 1.034 -2.834
321 HG SER 40 HG SER 40 -12.170 -0.809 -4.467
322 H CYS 41 H CYS 41 -8.064 0.799 -2.939
323 HA CYS 41 HA CYS 41 -7.765 1.627 -0.325
324 HB2 CYS 41 HB2 CYS 41 -5.853 1.254 -1.789
325 HB3 CYS 41 HB3 CYS 41 -6.306 2.644 -2.775
326 H SER 42 H SER 42 -8.344 3.367 0.829
327 HA SER 42 HA SER 42 -9.833 5.487 -0.518
328 HB2 SER 42 HB2 SER 42 -11.039 5.066 1.359
329 HB3 SER 42 HB3 SER 42 -9.655 4.406 2.224
330 HG SER 42 HG SER 42 -10.620 6.993 2.082
331 H GLU 43 H GLU 43 -8.196 6.651 -1.557
332 HA GLU 43 HA GLU 43 -5.760 7.485 -0.599
333 HB2 GLU 43 HB2 GLU 43 -7.734 9.005 -2.315
334 HB3 GLU 43 HB3 GLU 43 -6.058 9.497 -2.069
335 HG2 GLU 43 HG2 GLU 43 -5.282 7.344 -2.976
336 HG3 GLU 43 HG3 GLU 43 -6.953 6.835 -3.210
337 H THR 44 H THR 44 -5.189 8.542 1.187
338 HA THR 44 HA THR 44 -6.552 10.950 2.000
339 HB THR 44 HB THR 44 -6.459 9.060 4.257
340 HG1 THR 44 HG1 THR 44 -7.313 7.622 2.862
341 HG21 THR 44 HG21 THR 44 -8.764 10.739 3.285
342 HG22 THR 44 HG22 THR 44 -7.387 11.472 4.108
343 HG23 THR 44 HG23 THR 44 -8.368 10.263 4.937
344 H GLU 45 H GLU 45 -5.372 12.163 3.512
345 HA GLU 45 HA GLU 45 -2.648 12.181 3.359
346 HB2 GLU 45 HB2 GLU 45 -4.291 12.980 5.774
347 HB3 GLU 45 HB3 GLU 45 -2.642 13.505 5.431
348 HG2 GLU 45 HG2 GLU 45 -3.757 14.200 3.103
349 HG3 GLU 45 HG3 GLU 45 -5.197 14.301 4.114
350 H ASN 46 H ASN 46 -4.632 10.325 5.614
351 HA ASN 46 HA ASN 46 -2.382 9.320 7.109
352 HB2 ASN 46 HB2 ASN 46 -4.479 9.481 8.258
353 HB3 ASN 46 HB3 ASN 46 -5.303 8.554 7.007
354 HD21 ASN 46 HD21 ASN 46 -5.552 7.566 9.569
355 HD22 ASN 46 HD22 ASN 46 -4.585 6.185 9.773
356 H ASN 47 H ASN 47 -4.422 8.183 4.470
357 HA ASN 47 HA ASN 47 -2.533 5.947 4.067
358 HB2 ASN 47 HB2 ASN 47 -4.326 4.694 4.743
359 HB3 ASN 47 HB3 ASN 47 -5.498 5.927 4.288
360 HD21 ASN 47 HD21 ASN 47 -6.808 5.119 2.647
361 HD22 ASN 47 HD22 ASN 47 -6.264 4.180 1.341
362 H LYS 48 H LYS 48 -1.418 6.502 2.288
363 HA LYS 48 HA LYS 48 -2.810 7.875 0.089
364 HB2 LYS 48 HB2 LYS 48 0.146 7.301 0.348
365 HB3 LYS 48 HB3 LYS 48 -0.633 8.435 -0.754
366 HG2 LYS 48 HG2 LYS 48 -1.191 8.802 2.147
367 HG3 LYS 48 HG3 LYS 48 0.432 9.217 1.592
368 HD2 LYS 48 HD2 LYS 48 -2.015 10.195 0.124
369 HD3 LYS 48 HD3 LYS 48 -1.370 11.074 1.512
370 HE2 LYS 48 HE2 LYS 48 0.611 10.259 -0.543
371 HE3 LYS 48 HE3 LYS 48 -0.532 11.512 -1.027
372 HZ1 LYS 48 HZ1 LYS 48 0.065 12.561 1.217
373 HZ2 LYS 48 HZ2 LYS 48 1.186 12.691 -0.052
374 HZ3 LYS 48 HZ3 LYS 48 1.423 11.547 1.181
375 H CYS 49 H CYS 49 -3.228 6.921 -1.814
376 HA CYS 49 HA CYS 49 -2.443 4.096 -2.127
377 HB2 CYS 49 HB2 CYS 49 -4.484 5.477 -3.835
378 HB3 CYS 49 HB3 CYS 49 -4.374 3.775 -3.384
379 H CYS 50 H CYS 50 -1.118 3.467 -3.700
380 HA CYS 50 HA CYS 50 -0.334 5.452 -5.747
381 HB2 CYS 50 HB2 CYS 50 1.293 4.261 -3.886
382 HB3 CYS 50 HB3 CYS 50 1.488 3.192 -5.274
383 H SER 51 H SER 51 0.845 4.063 -7.626
384 HA SER 51 HA SER 51 -0.683 1.659 -8.268
385 HB2 SER 51 HB2 SER 51 -1.093 2.776 -10.609
386 HB3 SER 51 HB3 SER 51 -2.207 3.084 -9.280
387 HG SER 51 HG SER 51 -1.687 5.068 -9.993
388 H THR 52 H THR 52 2.151 2.542 -7.772
389 HA THR 52 HA THR 52 3.287 1.461 -10.277
390 HB THR 52 HB THR 52 4.944 3.295 -8.623
391 HG1 THR 52 HG1 THR 52 3.705 4.759 -10.419
392 HG21 THR 52 HG21 THR 52 5.412 1.984 -10.900
393 HG22 THR 52 HG22 THR 52 6.092 3.585 -10.604
394 HG23 THR 52 HG23 THR 52 4.641 3.413 -11.590
395 H ASP 53 H ASP 53 4.941 -0.018 -10.062
396 HA ASP 53 HA ASP 53 5.034 -1.539 -7.670
397 HB2 ASP 53 HB2 ASP 53 7.271 -2.318 -9.022
398 HB3 ASP 53 HB3 ASP 53 5.650 -2.927 -9.353
399 H ARG 54 H ARG 54 6.073 -1.075 -5.847
400 HA ARG 54 HA ARG 54 7.959 -0.596 -4.530
401 HB2 ARG 54 HB2 ARG 54 9.216 -0.688 -6.857
402 HB3 ARG 54 HB3 ARG 54 9.180 1.066 -6.696
403 HG2 ARG 54 HG2 ARG 54 11.200 0.474 -5.639
404 HG3 ARG 54 HG3 ARG 54 10.075 0.660 -4.295
405 HD2 ARG 54 HD2 ARG 54 10.338 -1.494 -3.702
406 HD3 ARG 54 HD3 ARG 54 9.950 -2.038 -5.330
407 HE ARG 54 HE ARG 54 12.270 -2.007 -5.855
408 HH11 ARG 54 HH21 ARG 54 11.535 -1.033 -2.614
409 HH12 ARG 54 HH22 ARG 54 13.161 -1.213 -2.046
410 HH21 ARG 54 HH11 ARG 54 14.404 -2.241 -5.114
411 HH22 ARG 54 HH12 ARG 54 14.784 -1.897 -3.460
412 H CYS 55 H CYS 55 5.479 1.011 -5.310
413 HA CYS 55 HA CYS 55 6.131 3.773 -5.075
414 HB2 CYS 55 HB2 CYS 55 3.742 2.160 -5.313
415 HB3 CYS 55 HB3 CYS 55 3.522 3.422 -4.100
416 H ASN 56 H ASN 56 4.881 1.398 -2.732
417 HA ASN 56 HA ASN 56 5.223 3.279 -0.540
418 HB2 ASN 56 HB2 ASN 56 4.660 0.708 0.469
419 HB3 ASN 56 HB3 ASN 56 3.538 2.054 0.277
420 HD21 ASN 56 HD21 ASN 56 3.338 2.218 -2.527
421 HD22 ASN 56 HD22 ASN 56 2.663 0.780 -3.127
422 H LYS 57 H LYS 57 6.354 2.483 1.470
423 HA LYS 57 HA LYS 57 8.840 1.049 0.746
424 HB2 LYS 57 HB2 LYS 57 9.200 3.479 1.112
425 HB3 LYS 57 HB3 LYS 57 8.543 3.309 2.740
426 HG2 LYS 57 HG2 LYS 57 10.401 2.210 3.525
427 HG3 LYS 57 HG3 LYS 57 10.728 1.436 1.975
428 HD2 LYS 57 HD2 LYS 57 11.545 3.570 1.063
429 HD3 LYS 57 HD3 LYS 57 11.193 4.367 2.597
430 HE2 LYS 57 HE2 LYS 57 12.794 2.899 3.748
431 HE3 LYS 57 HE3 LYS 57 13.132 2.065 2.231
432 HZ1 LYS 57 HZ1 LYS 57 13.443 4.755 1.708
433 HZ2 LYS 57 HZ2 LYS 57 14.673 3.590 1.851
434 HZ3 LYS 57 HZ3 LYS 57 14.200 4.503 3.205
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 0.984 -7.286 -10.584
2 H2 LEU 1 H2 LEU 1 1.911 -6.383 -11.685
3 H3 LEU 1 H3 LEU 1 0.246 -6.087 -11.530
4 HA LEU 1 HA LEU 1 2.092 -4.611 -10.335
5 HB2 LEU 1 HB2 LEU 1 0.296 -3.875 -8.837
6 HB3 LEU 1 HB3 LEU 1 -0.352 -4.187 -10.448
7 HG LEU 1 HG LEU 1 -0.389 -6.610 -8.861
8 HD11 LEU 1 HD11 LEU 1 -2.239 -5.756 -7.316
9 HD12 LEU 1 HD12 LEU 1 -1.667 -4.130 -7.694
10 HD13 LEU 1 HD13 LEU 1 -0.595 -5.278 -6.891
11 HD21 LEU 1 HD21 LEU 1 -2.590 -6.756 -9.706
12 HD22 LEU 1 HD22 LEU 1 -1.735 -5.843 -10.949
13 HD23 LEU 1 HD23 LEU 1 -2.767 -5.003 -9.791
14 H LYS 2 H LYS 2 2.480 -4.272 -7.937
15 HA LYS 2 HA LYS 2 2.393 -6.406 -6.090
16 HB2 LYS 2 HB2 LYS 2 4.637 -7.197 -6.109
17 HB3 LYS 2 HB3 LYS 2 4.081 -7.284 -7.779
18 HG2 LYS 2 HG2 LYS 2 5.081 -4.707 -7.582
19 HG3 LYS 2 HG3 LYS 2 6.211 -5.647 -6.607
20 HD2 LYS 2 HD2 LYS 2 5.357 -6.503 -9.382
21 HD3 LYS 2 HD3 LYS 2 6.766 -5.481 -9.094
22 HE2 LYS 2 HE2 LYS 2 7.980 -7.182 -8.148
23 HE3 LYS 2 HE3 LYS 2 6.555 -7.947 -7.444
24 HZ1 LYS 2 HZ1 LYS 2 7.369 -8.010 -10.298
25 HZ2 LYS 2 HZ2 LYS 2 5.918 -8.654 -9.695
26 HZ3 LYS 2 HZ3 LYS 2 7.407 -9.308 -9.207
27 H CYS 3 H CYS 3 3.688 -5.912 -4.124
28 HA CYS 3 HA CYS 3 5.007 -3.394 -3.856
29 HB2 CYS 3 HB2 CYS 3 2.108 -3.586 -3.138
30 HB3 CYS 3 HB3 CYS 3 3.178 -2.573 -2.167
31 H TYR 4 H TYR 4 4.843 -2.830 -1.273
32 HA TYR 4 HA TYR 4 6.017 -5.172 -0.016
33 HB2 TYR 4 HB2 TYR 4 5.856 -2.254 0.691
34 HB3 TYR 4 HB3 TYR 4 6.387 -3.449 1.872
35 HD1 TYR 4 HD1 TYR 4 8.284 -5.046 1.197
36 HD2 TYR 4 HD2 TYR 4 7.351 -1.445 -0.949
37 HE1 TYR 4 HE1 TYR 4 10.534 -5.080 0.162
38 HE2 TYR 4 HE2 TYR 4 9.604 -1.478 -1.982
39 HH TYR 4 HH TYR 4 11.991 -2.598 -1.152
40 H GLN 5 H GLN 5 4.327 -6.516 0.437
41 HA GLN 5 HA GLN 5 2.055 -5.529 1.984
42 HB2 GLN 5 HB2 GLN 5 2.074 -7.350 0.069
43 HB3 GLN 5 HB3 GLN 5 2.475 -8.430 1.405
44 HG2 GLN 5 HG2 GLN 5 0.497 -7.560 2.652
45 HG3 GLN 5 HG3 GLN 5 0.068 -6.598 1.238
46 HE21 GLN 5 HE21 GLN 5 -1.727 -8.578 2.185
47 HE22 GLN 5 HE22 GLN 5 -1.786 -9.847 1.059
48 H HIS 6 H HIS 6 4.720 -7.860 2.357
49 HA HIS 6 HA HIS 6 4.310 -7.708 5.286
50 HB2 HIS 6 HB2 HIS 6 4.733 -10.032 3.488
51 HB3 HIS 6 HB3 HIS 6 5.600 -10.058 5.023
52 HD1 HIS 6 HD1 HIS 6 2.668 -11.397 3.798
53 HD2 HIS 6 HD2 HIS 6 3.412 -8.970 7.105
54 HE1 HIS 6 HE1 HIS 6 0.712 -11.716 5.376
55 H GLY 7 H GLY 7 5.866 -5.796 4.242
56 HA2 GLY 7 HA2 GLY 7 7.937 -4.844 4.655
57 HA3 GLY 7 HA3 GLY 7 8.443 -6.362 5.392
58 H LYS 8 H LYS 8 7.276 -7.441 2.630
59 HA LYS 8 HA LYS 8 9.719 -6.903 1.059
60 HB2 LYS 8 HB2 LYS 8 8.489 -9.580 0.786
61 HB3 LYS 8 HB3 LYS 8 10.189 -9.107 0.788
62 HG2 LYS 8 HG2 LYS 8 9.815 -8.583 3.306
63 HG3 LYS 8 HG3 LYS 8 8.362 -9.568 3.142
64 HD2 LYS 8 HD2 LYS 8 9.543 -11.515 2.907
65 HD3 LYS 8 HD3 LYS 8 10.861 -10.737 2.031
66 HE2 LYS 8 HE2 LYS 8 11.639 -11.466 4.240
67 HE3 LYS 8 HE3 LYS 8 11.637 -9.705 4.149
68 HZ1 LYS 8 HZ1 LYS 8 9.709 -9.567 5.423
69 HZ2 LYS 8 HZ2 LYS 8 10.620 -10.772 6.200
70 HZ3 LYS 8 HZ3 LYS 8 9.315 -11.201 5.198
71 H VAL 9 H VAL 9 9.479 -7.037 -1.213
72 HA VAL 9 HA VAL 9 6.953 -6.112 -2.169
73 HB VAL 9 HB VAL 9 9.373 -7.033 -3.735
74 HG11 VAL 9 HG11 VAL 9 7.428 -6.926 -5.161
75 HG12 VAL 9 HG12 VAL 9 8.373 -5.466 -5.453
76 HG13 VAL 9 HG13 VAL 9 6.925 -5.395 -4.448
77 HG21 VAL 9 HG21 VAL 9 10.165 -5.258 -2.423
78 HG22 VAL 9 HG22 VAL 9 8.600 -4.442 -2.411
79 HG23 VAL 9 HG23 VAL 9 9.595 -4.423 -3.868
80 H VAL 10 H VAL 10 5.286 -7.519 -2.153
81 HA VAL 10 HA VAL 10 5.648 -10.048 -3.639
82 HB VAL 10 HB VAL 10 3.840 -10.936 -2.005
83 HG11 VAL 10 HG11 VAL 10 6.763 -10.501 -1.461
84 HG12 VAL 10 HG12 VAL 10 5.917 -11.994 -1.867
85 HG13 VAL 10 HG13 VAL 10 5.765 -11.306 -0.250
86 HG21 VAL 10 HG21 VAL 10 5.018 -9.210 0.073
87 HG22 VAL 10 HG22 VAL 10 3.346 -9.728 -0.142
88 HG23 VAL 10 HG23 VAL 10 3.967 -8.355 -1.057
89 H THR 11 H THR 11 3.946 -10.663 -4.948
90 HA THR 11 HA THR 11 2.237 -8.595 -5.897
91 HB THR 11 HB THR 11 2.155 -11.579 -6.402
92 HG1 THR 11 HG1 THR 11 3.087 -10.646 -8.450
93 HG21 THR 11 HG21 THR 11 0.020 -10.442 -6.918
94 HG22 THR 11 HG22 THR 11 0.838 -10.972 -8.387
95 HG23 THR 11 HG23 THR 11 0.890 -9.275 -7.911
96 H CYS 12 H CYS 12 0.538 -7.845 -4.808
97 HA CYS 12 HA CYS 12 -0.761 -9.220 -2.702
98 HB2 CYS 12 HB2 CYS 12 -2.003 -6.992 -4.307
99 HB3 CYS 12 HB3 CYS 12 -2.222 -7.366 -2.597
100 H HIS 13 H HIS 13 -3.376 -9.205 -2.923
101 HA HIS 13 HA HIS 13 -3.963 -11.434 -4.587
102 HB2 HIS 13 HB2 HIS 13 -5.117 -10.495 -2.377
103 HB3 HIS 13 HB3 HIS 13 -6.171 -9.718 -3.557
104 HD1 HIS 13 HD1 HIS 13 -8.016 -11.140 -4.461
105 HD2 HIS 13 HD2 HIS 13 -4.920 -13.451 -2.894
106 HE1 HIS 13 HE1 HIS 13 -8.780 -13.552 -4.599
107 H ARG 14 H ARG 14 -5.659 -11.489 -6.241
108 HA ARG 14 HA ARG 14 -5.150 -9.684 -8.344
109 HB2 ARG 14 HB2 ARG 14 -7.494 -11.556 -7.935
110 HB3 ARG 14 HB3 ARG 14 -7.079 -10.765 -9.456
111 HG2 ARG 14 HG2 ARG 14 -5.449 -12.264 -9.896
112 HG3 ARG 14 HG3 ARG 14 -4.783 -12.119 -8.270
113 HD2 ARG 14 HD2 ARG 14 -6.406 -13.684 -7.396
114 HD3 ARG 14 HD3 ARG 14 -7.267 -13.719 -8.933
115 HE ARG 14 HE ARG 14 -5.679 -15.219 -9.724
116 HH11 ARG 14 HH21 ARG 14 -4.569 -13.609 -6.870
117 HH12 ARG 14 HH22 ARG 14 -3.150 -14.588 -6.702
118 HH21 ARG 14 HH11 ARG 14 -3.820 -16.508 -9.511
119 HH22 ARG 14 HH12 ARG 14 -2.726 -16.229 -8.197
120 H ASP 15 H ASP 15 -7.529 -9.701 -5.784
121 HA ASP 15 HA ASP 15 -9.346 -7.827 -6.856
122 HB2 ASP 15 HB2 ASP 15 -8.639 -8.288 -3.949
123 HB3 ASP 15 HB3 ASP 15 -10.110 -7.534 -4.561
124 H MET 16 H MET 16 -6.542 -7.401 -4.701
125 HA MET 16 HA MET 16 -6.760 -4.551 -4.634
126 HB2 MET 16 HB2 MET 16 -4.553 -6.466 -3.865
127 HB3 MET 16 HB3 MET 16 -4.452 -4.723 -3.630
128 HG2 MET 16 HG2 MET 16 -5.368 -5.254 -1.596
129 HG3 MET 16 HG3 MET 16 -6.868 -5.165 -2.520
130 HE1 MET 16 HE1 MET 16 -6.695 -8.076 0.201
131 HE2 MET 16 HE2 MET 16 -8.009 -7.114 -0.471
132 HE3 MET 16 HE3 MET 16 -6.520 -6.323 0.042
133 H LYS 17 H LYS 17 -6.014 -3.095 -6.042
134 HA LYS 17 HA LYS 17 -4.005 -3.956 -8.033
135 HB2 LYS 17 HB2 LYS 17 -6.574 -2.438 -8.448
136 HB3 LYS 17 HB3 LYS 17 -5.235 -2.311 -9.589
137 HG2 LYS 17 HG2 LYS 17 -5.249 -4.763 -9.883
138 HG3 LYS 17 HG3 LYS 17 -6.591 -4.890 -8.745
139 HD2 LYS 17 HD2 LYS 17 -7.835 -4.788 -10.668
140 HD3 LYS 17 HD3 LYS 17 -7.621 -3.053 -10.434
141 HE2 LYS 17 HE2 LYS 17 -5.424 -3.372 -11.795
142 HE3 LYS 17 HE3 LYS 17 -6.152 -4.894 -12.312
143 HZ1 LYS 17 HZ1 LYS 17 -8.000 -3.747 -13.214
144 HZ2 LYS 17 HZ2 LYS 17 -6.611 -2.952 -13.784
145 HZ3 LYS 17 HZ3 LYS 17 -7.523 -2.274 -12.523
146 H PHE 18 H PHE 18 -4.530 -2.041 -5.462
147 HA PHE 18 HA PHE 18 -2.606 -0.023 -6.421
148 HB2 PHE 18 HB2 PHE 18 -5.082 0.597 -4.794
149 HB3 PHE 18 HB3 PHE 18 -3.843 1.751 -5.285
150 HD1 PHE 18 HD1 PHE 18 -6.229 -0.763 -6.703
151 HD2 PHE 18 HD2 PHE 18 -4.045 2.882 -7.330
152 HE1 PHE 18 HE1 PHE 18 -7.391 -0.439 -8.871
153 HE2 PHE 18 HE2 PHE 18 -5.206 3.205 -9.497
154 HZ PHE 18 HZ PHE 18 -6.879 1.544 -10.267
155 H CYS 19 H CYS 19 -1.156 0.696 -4.907
156 HA CYS 19 HA CYS 19 -1.068 -0.849 -2.407
157 HB2 CYS 19 HB2 CYS 19 1.119 0.885 -3.563
158 HB3 CYS 19 HB3 CYS 19 1.268 -0.385 -2.348
159 H TYR 20 H TYR 20 -1.263 0.136 -0.437
160 HA TYR 20 HA TYR 20 -1.516 3.079 -0.497
161 HB2 TYR 20 HB2 TYR 20 -3.223 2.971 1.151
162 HB3 TYR 20 HB3 TYR 20 -3.637 1.765 -0.063
163 HD1 TYR 20 HD2 TYR 20 -3.164 -0.660 0.368
164 HD2 TYR 20 HD1 TYR 20 -2.669 2.348 3.394
165 HE1 TYR 20 HE2 TYR 20 -3.148 -2.420 2.117
166 HE2 TYR 20 HE1 TYR 20 -2.654 0.589 5.142
167 HH TYR 20 HH TYR 20 -2.322 -2.720 4.413
168 H HIS 21 H HIS 21 -0.700 4.263 1.184
169 HA HIS 21 HA HIS 21 1.142 2.831 3.001
170 HB2 HIS 21 HB2 HIS 21 2.150 4.268 1.098
171 HB3 HIS 21 HB3 HIS 21 1.594 5.649 2.045
172 HD1 HIS 21 HD1 HIS 21 4.569 5.420 1.791
173 HD2 HIS 21 HD2 HIS 21 2.468 3.453 4.807
174 HE1 HIS 21 HE1 HIS 21 6.236 4.954 3.640
175 H ASN 22 H ASN 22 -0.519 2.773 4.602
176 HA ASN 22 HA ASN 22 -1.663 5.265 5.538
177 HB2 ASN 22 HB2 ASN 22 -2.965 3.164 5.577
178 HB3 ASN 22 HB3 ASN 22 -1.811 2.482 6.721
179 HD21 ASN 22 HD21 ASN 22 -2.189 5.824 7.265
180 HD22 ASN 22 HD22 ASN 22 -3.308 5.730 8.539
181 H THR 23 H THR 23 -0.837 6.540 7.063
182 HA THR 23 HA THR 23 1.336 5.459 8.757
183 HB THR 23 HB THR 23 2.092 7.895 8.852
184 HG1 THR 23 HG1 THR 23 0.644 8.136 6.457
185 HG21 THR 23 HG21 THR 23 3.364 7.676 6.826
186 HG22 THR 23 HG22 THR 23 2.145 6.626 6.106
187 HG23 THR 23 HG23 THR 23 3.121 6.047 7.456
188 H GLY 24 H GLY 24 -1.810 6.512 8.767
189 HA2 GLY 24 HA2 GLY 24 -1.839 8.073 11.173
190 HA3 GLY 24 HA3 GLY 24 -3.238 7.360 10.376
191 H MET 25 H MET 25 -3.845 6.976 12.688
192 HA MET 25 HA MET 25 -3.920 5.684 14.616
193 HB2 MET 25 HB2 MET 25 -3.854 3.753 12.305
194 HB3 MET 25 HB3 MET 25 -4.049 3.192 13.966
195 HG2 MET 25 HG2 MET 25 -6.176 3.980 14.114
196 HG3 MET 25 HG3 MET 25 -5.788 5.461 13.239
197 HE1 MET 25 HE1 MET 25 -8.701 3.139 12.220
198 HE2 MET 25 HE2 MET 25 -8.571 4.682 11.381
199 HE3 MET 25 HE3 MET 25 -8.185 4.586 13.098
200 HA PRO 26 HA PRO 26 0.694 4.871 14.647
201 HB2 PRO 26 HB2 PRO 26 1.232 6.577 16.736
202 HB3 PRO 26 HB3 PRO 26 1.292 7.054 15.030
203 HG2 PRO 26 HG2 PRO 26 -0.825 7.534 17.055
204 HG3 PRO 26 HG3 PRO 26 -0.256 8.577 15.742
205 HD2 PRO 26 HD2 PRO 26 -2.582 7.125 15.607
206 HD3 PRO 26 HD3 PRO 26 -1.632 7.584 14.176
207 H PHE 27 H PHE 27 -1.978 4.241 16.434
208 HA PHE 27 HA PHE 27 -2.446 3.080 18.377
209 HB2 PHE 27 HB2 PHE 27 -0.948 1.556 16.614
210 HB3 PHE 27 HB3 PHE 27 -0.114 1.334 18.153
211 HD1 PHE 27 HD2 PHE 27 -2.066 1.330 20.195
212 HD2 PHE 27 HD1 PHE 27 -2.441 -0.180 16.191
213 HE1 PHE 27 HE2 PHE 27 -3.859 -0.211 20.945
214 HE2 PHE 27 HE1 PHE 27 -4.233 -1.722 16.941
215 HZ PHE 27 HZ PHE 27 -4.942 -1.738 19.318
216 H ARG 28 H ARG 28 -2.119 4.394 20.115
217 HA ARG 28 HA ARG 28 -1.084 5.336 21.942
218 HB2 ARG 28 HB2 ARG 28 0.442 2.729 21.755
219 HB3 ARG 28 HB3 ARG 28 0.462 3.806 23.152
220 HG2 ARG 28 HG2 ARG 28 -2.194 2.949 22.077
221 HG3 ARG 28 HG3 ARG 28 -1.260 1.780 23.011
222 HD2 ARG 28 HD2 ARG 28 -1.202 3.202 24.922
223 HD3 ARG 28 HD3 ARG 28 -1.768 4.590 23.997
224 HE ARG 28 HE ARG 28 -3.668 2.445 23.955
225 HH11 ARG 28 HH21 ARG 28 -2.371 5.038 25.843
226 HH12 ARG 28 HH22 ARG 28 -3.815 5.271 26.769
227 HH21 ARG 28 HH11 ARG 28 -5.567 2.745 25.165
228 HH22 ARG 28 HH12 ARG 28 -5.626 3.972 26.385
229 H ASN 29 H ASN 29 1.767 3.607 20.747
230 HA ASN 29 HA ASN 29 2.988 6.130 19.888
231 HB2 ASN 29 HB2 ASN 29 5.054 5.557 21.221
232 HB3 ASN 29 HB3 ASN 29 3.667 6.068 22.183
233 HD21 ASN 29 HD21 ASN 29 3.281 2.919 20.843
234 HD22 ASN 29 HD22 ASN 29 3.675 2.039 22.240
235 H LEU 30 H LEU 30 5.538 5.309 19.459
236 HA LEU 30 HA LEU 30 6.915 3.962 18.174
237 HB2 LEU 30 HB2 LEU 30 5.129 2.129 19.169
238 HB3 LEU 30 HB3 LEU 30 4.895 1.964 17.428
239 HG LEU 30 HG LEU 30 7.488 1.921 17.299
240 HD11 LEU 30 HD11 LEU 30 6.957 1.466 20.239
241 HD12 LEU 30 HD12 LEU 30 8.109 2.575 19.495
242 HD13 LEU 30 HD13 LEU 30 8.404 0.836 19.451
243 HD21 LEU 30 HD21 LEU 30 5.623 -0.225 18.238
244 HD22 LEU 30 HD22 LEU 30 7.349 -0.585 18.199
245 HD23 LEU 30 HD23 LEU 30 6.515 -0.102 16.721
246 H LYS 31 H LYS 31 7.199 3.439 15.889
247 HA LYS 31 HA LYS 31 5.405 5.063 14.220
248 HB2 LYS 31 HB2 LYS 31 7.352 4.607 12.524
249 HB3 LYS 31 HB3 LYS 31 7.580 5.783 13.819
250 HG2 LYS 31 HG2 LYS 31 8.635 3.998 15.206
251 HG3 LYS 31 HG3 LYS 31 8.488 2.890 13.841
252 HD2 LYS 31 HD2 LYS 31 9.783 5.513 13.290
253 HD3 LYS 31 HD3 LYS 31 10.700 4.371 14.271
254 HE2 LYS 31 HE2 LYS 31 10.408 2.638 12.540
255 HE3 LYS 31 HE3 LYS 31 9.485 3.775 11.557
256 HZ1 LYS 31 HZ1 LYS 31 11.487 4.209 10.676
257 HZ2 LYS 31 HZ2 LYS 31 12.342 3.619 12.021
258 HZ3 LYS 31 HZ3 LYS 31 11.692 5.189 12.045
259 H LEU 32 H LEU 32 4.113 2.847 14.842
260 HA LEU 32 HA LEU 32 4.533 0.484 13.470
261 HB2 LEU 32 HB2 LEU 32 2.151 1.903 14.528
262 HB3 LEU 32 HB3 LEU 32 1.847 0.621 13.355
263 HG LEU 32 HG LEU 32 3.704 0.190 15.694
264 HD11 LEU 32 HD11 LEU 32 1.827 -0.737 16.949
265 HD12 LEU 32 HD12 LEU 32 0.722 -0.366 15.626
266 HD13 LEU 32 HD13 LEU 32 1.475 0.942 16.538
267 HD21 LEU 32 HD21 LEU 32 2.732 -2.190 15.253
268 HD22 LEU 32 HD22 LEU 32 3.919 -1.547 14.119
269 HD23 LEU 32 HD23 LEU 32 2.204 -1.516 13.711
270 H ILE 33 H ILE 33 4.615 -0.053 11.389
271 HA ILE 33 HA ILE 33 3.774 1.908 9.379
272 HB ILE 33 HB ILE 33 6.040 0.906 9.228
273 HG12 ILE 33 HG12 ILE 33 5.760 0.071 6.827
274 HG13 ILE 33 HG13 ILE 33 4.024 0.277 7.061
275 HG21 ILE 33 HG21 ILE 33 6.393 -1.390 8.976
276 HG22 ILE 33 HG22 ILE 33 4.743 -1.685 8.430
277 HG23 ILE 33 HG23 ILE 33 5.063 -1.360 10.133
278 HD11 ILE 33 HD11 ILE 33 5.614 2.605 7.907
279 HD12 ILE 33 HD12 ILE 33 4.154 2.538 6.918
280 HD13 ILE 33 HD13 ILE 33 5.732 2.250 6.183
281 H LEU 34 H LEU 34 1.953 1.681 8.232
282 HA LEU 34 HA LEU 34 0.602 -0.951 8.296
283 HB2 LEU 34 HB2 LEU 34 -0.453 1.845 8.528
284 HB3 LEU 34 HB3 LEU 34 -1.475 0.587 7.829
285 HG LEU 34 HG LEU 34 -1.019 -0.821 9.862
286 HD11 LEU 34 HD11 LEU 34 0.908 -0.082 10.890
287 HD12 LEU 34 HD12 LEU 34 -0.273 0.821 11.839
288 HD13 LEU 34 HD13 LEU 34 0.585 1.610 10.516
289 HD21 LEU 34 HD21 LEU 34 -2.441 0.610 11.398
290 HD22 LEU 34 HD22 LEU 34 -3.097 0.404 9.774
291 HD23 LEU 34 HD23 LEU 34 -2.291 1.909 10.215
292 H GLN 35 H GLN 35 2.374 -0.814 6.356
293 HA GLN 35 HA GLN 35 1.181 0.307 3.939
294 HB2 GLN 35 HB2 GLN 35 3.789 -0.098 4.768
295 HB3 GLN 35 HB3 GLN 35 3.528 -1.395 3.604
296 HG2 GLN 35 HG2 GLN 35 2.685 0.276 1.968
297 HG3 GLN 35 HG3 GLN 35 3.034 1.556 3.127
298 HE21 GLN 35 HE21 GLN 35 4.783 2.588 2.045
299 HE22 GLN 35 HE22 GLN 35 6.239 1.800 1.669
300 H GLY 36 H GLY 36 0.260 -0.871 2.323
301 HA2 GLY 36 HA2 GLY 36 0.526 -3.668 1.975
302 HA3 GLY 36 HA3 GLY 36 -0.954 -3.327 2.866
303 H CYS 37 H CYS 37 -1.902 -4.336 0.873
304 HA CYS 37 HA CYS 37 -2.173 -2.335 -1.284
305 HB2 CYS 37 HB2 CYS 37 -3.070 -5.057 -1.885
306 HB3 CYS 37 HB3 CYS 37 -2.051 -3.972 -2.829
307 H SER 38 H SER 38 -4.271 -2.318 -2.384
308 HA SER 38 HA SER 38 -6.590 -3.447 -1.171
309 HB2 SER 38 HB2 SER 38 -5.923 -1.636 0.494
310 HB3 SER 38 HB3 SER 38 -6.305 -0.469 -0.766
311 HG SER 38 HG SER 38 -8.216 -2.404 -0.413
312 H SER 39 H SER 39 -8.457 -3.065 -2.387
313 HA SER 39 HA SER 39 -7.962 -2.232 -5.106
314 HB2 SER 39 HB2 SER 39 -9.825 -3.905 -3.772
315 HB3 SER 39 HB3 SER 39 -10.748 -2.647 -4.589
316 HG SER 39 HG SER 39 -10.067 -4.645 -5.800
317 H SER 40 H SER 40 -10.140 -1.140 -2.495
318 HA SER 40 HA SER 40 -10.551 1.372 -3.984
319 HB2 SER 40 HB2 SER 40 -12.442 -0.214 -2.949
320 HB3 SER 40 HB3 SER 40 -12.110 0.766 -1.524
321 HG SER 40 HG SER 40 -12.977 2.432 -2.484
322 H CYS 41 H CYS 41 -8.076 1.136 -2.802
323 HA CYS 41 HA CYS 41 -7.688 1.921 -0.202
324 HB2 CYS 41 HB2 CYS 41 -5.799 1.485 -1.631
325 HB3 CYS 41 HB3 CYS 41 -6.226 2.832 -2.687
326 H SER 42 H SER 42 -8.524 3.525 0.956
327 HA SER 42 HA SER 42 -9.794 5.788 -0.301
328 HB2 SER 42 HB2 SER 42 -10.029 4.477 2.161
329 HB3 SER 42 HB3 SER 42 -9.397 6.072 2.557
330 HG SER 42 HG SER 42 -11.577 6.307 2.435
331 H GLU 43 H GLU 43 -8.135 6.905 -1.364
332 HA GLU 43 HA GLU 43 -5.677 7.664 -0.261
333 HB2 GLU 43 HB2 GLU 43 -6.430 7.854 -2.688
334 HB3 GLU 43 HB3 GLU 43 -7.258 9.338 -2.214
335 HG2 GLU 43 HG2 GLU 43 -4.824 9.778 -1.102
336 HG3 GLU 43 HG3 GLU 43 -4.356 8.795 -2.489
337 H THR 44 H THR 44 -5.039 9.260 1.084
338 HA THR 44 HA THR 44 -6.706 11.548 1.657
339 HB THR 44 HB THR 44 -6.285 10.576 4.243
340 HG1 THR 44 HG1 THR 44 -6.938 8.569 2.401
341 HG21 THR 44 HG21 THR 44 -8.211 11.885 3.494
342 HG22 THR 44 HG22 THR 44 -8.764 10.394 4.256
343 HG23 THR 44 HG23 THR 44 -8.764 10.537 2.499
344 H GLU 45 H GLU 45 -5.576 12.251 4.111
345 HA GLU 45 HA GLU 45 -2.920 13.041 3.238
346 HB2 GLU 45 HB2 GLU 45 -4.899 14.207 4.824
347 HB3 GLU 45 HB3 GLU 45 -3.616 13.787 5.960
348 HG2 GLU 45 HG2 GLU 45 -1.987 14.866 4.326
349 HG3 GLU 45 HG3 GLU 45 -3.395 15.494 3.472
350 H ASN 46 H ASN 46 -4.393 10.832 5.497
351 HA ASN 46 HA ASN 46 -1.752 10.151 6.613
352 HB2 ASN 46 HB2 ASN 46 -4.152 10.565 7.883
353 HB3 ASN 46 HB3 ASN 46 -4.113 8.810 7.728
354 HD21 ASN 46 HD21 ASN 46 -3.834 10.175 10.273
355 HD22 ASN 46 HD22 ASN 46 -2.270 9.861 10.851
356 H ASN 47 H ASN 47 -4.302 9.046 4.573
357 HA ASN 47 HA ASN 47 -2.884 6.480 4.206
358 HB2 ASN 47 HB2 ASN 47 -4.845 5.790 5.302
359 HB3 ASN 47 HB3 ASN 47 -5.834 7.000 4.486
360 HD21 ASN 47 HD21 ASN 47 -3.499 5.259 2.549
361 HD22 ASN 47 HD22 ASN 47 -4.617 4.261 1.753
362 H LYS 48 H LYS 48 -1.892 6.750 2.292
363 HA LYS 48 HA LYS 48 -3.347 8.116 0.125
364 HB2 LYS 48 HB2 LYS 48 -0.440 7.291 0.220
365 HB3 LYS 48 HB3 LYS 48 -1.205 8.351 -0.964
366 HG2 LYS 48 HG2 LYS 48 -1.920 9.698 1.214
367 HG3 LYS 48 HG3 LYS 48 -0.501 8.896 1.891
368 HD2 LYS 48 HD2 LYS 48 -0.424 10.398 -0.734
369 HD3 LYS 48 HD3 LYS 48 -0.072 11.168 0.815
370 HE2 LYS 48 HE2 LYS 48 1.682 9.433 1.227
371 HE3 LYS 48 HE3 LYS 48 1.384 8.796 -0.391
372 HZ1 LYS 48 HZ1 LYS 48 1.981 11.653 -0.025
373 HZ2 LYS 48 HZ2 LYS 48 2.236 10.668 -1.385
374 HZ3 LYS 48 HZ3 LYS 48 3.246 10.524 -0.027
375 H CYS 49 H CYS 49 -2.380 7.150 -2.119
376 HA CYS 49 HA CYS 49 -2.486 4.232 -2.143
377 HB2 CYS 49 HB2 CYS 49 -4.456 5.741 -3.847
378 HB3 CYS 49 HB3 CYS 49 -4.432 4.023 -3.442
379 H CYS 50 H CYS 50 -1.098 3.499 -3.601
380 HA CYS 50 HA CYS 50 -0.283 5.280 -5.820
381 HB2 CYS 50 HB2 CYS 50 1.348 4.331 -3.868
382 HB3 CYS 50 HB3 CYS 50 1.482 3.028 -5.045
383 H SER 51 H SER 51 0.902 3.695 -7.537
384 HA SER 51 HA SER 51 -0.368 1.162 -7.949
385 HB2 SER 51 HB2 SER 51 -1.482 1.926 -10.127
386 HB3 SER 51 HB3 SER 51 -2.298 2.353 -8.626
387 HG SER 51 HG SER 51 -1.257 4.401 -8.769
388 H THR 52 H THR 52 2.270 2.566 -7.957
389 HA THR 52 HA THR 52 3.117 1.941 -10.720
390 HB THR 52 HB THR 52 4.678 3.542 -8.693
391 HG1 THR 52 HG1 THR 52 3.797 5.356 -9.759
392 HG21 THR 52 HG21 THR 52 5.222 4.429 -11.257
393 HG22 THR 52 HG22 THR 52 5.023 2.691 -11.476
394 HG23 THR 52 HG23 THR 52 6.217 3.304 -10.333
395 H ASP 53 H ASP 53 2.691 0.051 -8.450
396 HA ASP 53 HA ASP 53 3.724 -1.763 -7.481
397 HB2 ASP 53 HB2 ASP 53 5.845 -1.418 -9.601
398 HB3 ASP 53 HB3 ASP 53 5.325 -2.907 -8.816
399 H ARG 54 H ARG 54 5.482 -2.396 -6.120
400 HA ARG 54 HA ARG 54 6.766 -1.643 -4.296
401 HB2 ARG 54 HB2 ARG 54 9.032 -1.708 -4.947
402 HB3 ARG 54 HB3 ARG 54 8.205 -2.660 -6.178
403 HG2 ARG 54 HG2 ARG 54 8.025 -0.330 -7.416
404 HG3 ARG 54 HG3 ARG 54 9.400 0.081 -6.391
405 HD2 ARG 54 HD2 ARG 54 9.323 -2.434 -8.066
406 HD3 ARG 54 HD3 ARG 54 9.956 -0.910 -8.681
407 HE ARG 54 HE ARG 54 11.090 -1.852 -6.158
408 HH11 ARG 54 HH21 ARG 54 11.294 -1.597 -9.606
409 HH12 ARG 54 HH22 ARG 54 13.002 -1.880 -9.662
410 HH21 ARG 54 HH11 ARG 54 13.330 -2.225 -6.229
411 HH22 ARG 54 HH12 ARG 54 14.153 -2.234 -7.753
412 H CYS 55 H CYS 55 5.024 0.439 -5.229
413 HA CYS 55 HA CYS 55 6.570 2.886 -5.375
414 HB2 CYS 55 HB2 CYS 55 4.504 2.774 -6.628
415 HB3 CYS 55 HB3 CYS 55 3.598 2.345 -5.178
416 H ASN 56 H ASN 56 4.443 1.281 -3.020
417 HA ASN 56 HA ASN 56 4.701 3.323 -1.036
418 HB2 ASN 56 HB2 ASN 56 3.613 1.752 0.455
419 HB3 ASN 56 HB3 ASN 56 2.812 1.702 -1.114
420 HD21 ASN 56 HD21 ASN 56 2.493 -0.531 0.492
421 HD22 ASN 56 HD22 ASN 56 3.417 -1.823 -0.102
422 H LYS 57 H LYS 57 6.903 3.735 -0.758
423 HA LYS 57 HA LYS 57 9.083 2.241 -0.527
424 HB2 LYS 57 HB2 LYS 57 8.151 4.345 1.428
425 HB3 LYS 57 HB3 LYS 57 9.764 3.635 1.491
426 HG2 LYS 57 HG2 LYS 57 10.108 4.317 -0.892
427 HG3 LYS 57 HG3 LYS 57 8.546 5.135 -0.845
428 HD2 LYS 57 HD2 LYS 57 9.560 6.291 1.303
429 HD3 LYS 57 HD3 LYS 57 11.097 5.844 0.563
430 HE2 LYS 57 HE2 LYS 57 9.955 6.890 -1.603
431 HE3 LYS 57 HE3 LYS 57 9.022 7.773 -0.395
432 HZ1 LYS 57 HZ1 LYS 57 10.755 9.066 0.022
433 HZ2 LYS 57 HZ2 LYS 57 11.581 8.336 -1.271
434 HZ3 LYS 57 HZ3 LYS 57 11.764 7.733 0.307
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 2.992 -4.721 -9.890
2 H2 LEU 1 H2 LEU 1 1.794 -3.521 -9.802
3 H3 LEU 1 H3 LEU 1 1.827 -4.597 -11.116
4 HA LEU 1 HA LEU 1 0.214 -4.917 -9.048
5 HB2 LEU 1 HB2 LEU 1 0.026 -7.243 -9.746
6 HB3 LEU 1 HB3 LEU 1 0.316 -6.245 -11.170
7 HG LEU 1 HG LEU 1 2.852 -7.001 -10.056
8 HD11 LEU 1 HD11 LEU 1 2.765 -9.377 -10.081
9 HD12 LEU 1 HD12 LEU 1 1.152 -9.389 -10.792
10 HD13 LEU 1 HD13 LEU 1 1.374 -8.882 -9.118
11 HD21 LEU 1 HD21 LEU 1 3.275 -7.715 -12.275
12 HD22 LEU 1 HD22 LEU 1 2.099 -6.412 -12.457
13 HD23 LEU 1 HD23 LEU 1 1.577 -8.093 -12.566
14 H LYS 2 H LYS 2 2.406 -4.082 -7.622
15 HA LYS 2 HA LYS 2 2.561 -6.067 -5.571
16 HB2 LYS 2 HB2 LYS 2 4.839 -6.673 -5.695
17 HB3 LYS 2 HB3 LYS 2 4.246 -6.838 -7.346
18 HG2 LYS 2 HG2 LYS 2 5.006 -4.199 -7.288
19 HG3 LYS 2 HG3 LYS 2 6.213 -4.944 -6.239
20 HD2 LYS 2 HD2 LYS 2 6.368 -6.742 -8.142
21 HD3 LYS 2 HD3 LYS 2 5.642 -5.483 -9.140
22 HE2 LYS 2 HE2 LYS 2 7.485 -3.939 -8.186
23 HE3 LYS 2 HE3 LYS 2 8.282 -5.430 -7.684
24 HZ1 LYS 2 HZ1 LYS 2 7.804 -4.385 -10.369
25 HZ2 LYS 2 HZ2 LYS 2 7.730 -6.071 -10.166
26 HZ3 LYS 2 HZ3 LYS 2 9.145 -5.224 -9.755
27 H CYS 3 H CYS 3 3.664 -5.325 -3.686
28 HA CYS 3 HA CYS 3 4.824 -2.689 -3.617
29 HB2 CYS 3 HB2 CYS 3 2.775 -2.548 -1.643
30 HB3 CYS 3 HB3 CYS 3 3.029 -1.496 -3.033
31 H TYR 4 H TYR 4 4.854 -2.120 -1.008
32 HA TYR 4 HA TYR 4 6.182 -4.477 0.145
33 HB2 TYR 4 HB2 TYR 4 6.459 -1.516 0.575
34 HB3 TYR 4 HB3 TYR 4 7.047 -2.659 1.783
35 HD1 TYR 4 HD1 TYR 4 8.636 -4.514 1.029
36 HD2 TYR 4 HD2 TYR 4 7.704 -1.094 -1.395
37 HE1 TYR 4 HE1 TYR 4 10.649 -4.943 -0.348
38 HE2 TYR 4 HE2 TYR 4 9.721 -1.521 -2.773
39 HH TYR 4 HH TYR 4 11.405 -4.414 -2.712
40 H GLN 5 H GLN 5 4.506 -5.606 1.026
41 HA GLN 5 HA GLN 5 2.640 -4.270 2.835
42 HB2 GLN 5 HB2 GLN 5 1.806 -5.983 1.262
43 HB3 GLN 5 HB3 GLN 5 2.846 -7.182 2.032
44 HG2 GLN 5 HG2 GLN 5 1.688 -6.685 4.210
45 HG3 GLN 5 HG3 GLN 5 0.561 -5.663 3.317
46 HE21 GLN 5 HE21 GLN 5 -0.607 -7.783 4.607
47 HE22 GLN 5 HE22 GLN 5 -1.021 -9.009 3.509
48 H HIS 6 H HIS 6 4.948 -6.990 2.978
49 HA HIS 6 HA HIS 6 5.285 -6.425 5.861
50 HB2 HIS 6 HB2 HIS 6 3.977 -8.576 5.168
51 HB3 HIS 6 HB3 HIS 6 5.572 -9.197 4.746
52 HD1 HIS 6 HD1 HIS 6 4.236 -10.584 7.049
53 HD2 HIS 6 HD2 HIS 6 6.568 -7.171 7.590
54 HE1 HIS 6 HE1 HIS 6 4.985 -10.604 9.469
55 H GLY 7 H GLY 7 6.884 -5.311 3.821
56 HA2 GLY 7 HA2 GLY 7 9.179 -4.879 3.701
57 HA3 GLY 7 HA3 GLY 7 9.480 -6.346 4.626
58 H LYS 8 H LYS 8 7.816 -8.010 2.881
59 HA LYS 8 HA LYS 8 9.779 -8.383 0.732
60 HB2 LYS 8 HB2 LYS 8 7.651 -10.362 0.875
61 HB3 LYS 8 HB3 LYS 8 9.397 -10.583 0.993
62 HG2 LYS 8 HG2 LYS 8 9.212 -9.668 3.374
63 HG3 LYS 8 HG3 LYS 8 7.465 -9.859 3.203
64 HD2 LYS 8 HD2 LYS 8 9.262 -12.166 2.527
65 HD3 LYS 8 HD3 LYS 8 8.902 -11.821 4.219
66 HE2 LYS 8 HE2 LYS 8 6.673 -11.963 2.205
67 HE3 LYS 8 HE3 LYS 8 7.329 -13.443 2.904
68 HZ1 LYS 8 HZ1 LYS 8 6.364 -13.027 4.854
69 HZ2 LYS 8 HZ2 LYS 8 5.414 -11.888 4.024
70 HZ3 LYS 8 HZ3 LYS 8 6.815 -11.392 4.847
71 H VAL 9 H VAL 9 9.340 -7.325 -1.098
72 HA VAL 9 HA VAL 9 7.107 -6.083 -1.963
73 HB VAL 9 HB VAL 9 8.914 -7.767 -3.714
74 HG11 VAL 9 HG11 VAL 9 7.294 -7.177 -5.224
75 HG12 VAL 9 HG12 VAL 9 8.167 -5.644 -5.218
76 HG13 VAL 9 HG13 VAL 9 6.716 -5.837 -4.236
77 HG21 VAL 9 HG21 VAL 9 9.091 -4.803 -3.137
78 HG22 VAL 9 HG22 VAL 9 10.304 -5.840 -3.890
79 HG23 VAL 9 HG23 VAL 9 9.957 -5.995 -2.168
80 H VAL 10 H VAL 10 5.170 -7.039 -1.390
81 HA VAL 10 HA VAL 10 4.521 -9.740 -2.164
82 HB VAL 10 HB VAL 10 2.220 -9.082 -1.379
83 HG11 VAL 10 HG11 VAL 10 4.095 -9.990 0.100
84 HG12 VAL 10 HG12 VAL 10 2.831 -9.087 0.935
85 HG13 VAL 10 HG13 VAL 10 4.384 -8.324 0.597
86 HG21 VAL 10 HG21 VAL 10 3.352 -6.585 -0.227
87 HG22 VAL 10 HG22 VAL 10 1.714 -6.924 -0.785
88 HG23 VAL 10 HG23 VAL 10 2.982 -6.549 -1.951
89 H THR 11 H THR 11 3.265 -10.412 -3.870
90 HA THR 11 HA THR 11 2.925 -8.467 -6.034
91 HB THR 11 HB THR 11 4.020 -10.537 -6.641
92 HG1 THR 11 HG1 THR 11 2.579 -11.194 -8.263
93 HG21 THR 11 HG21 THR 11 3.323 -12.080 -4.992
94 HG22 THR 11 HG22 THR 11 2.583 -12.674 -6.480
95 HG23 THR 11 HG23 THR 11 1.615 -11.775 -5.310
96 H CYS 12 H CYS 12 1.151 -7.788 -4.181
97 HA CYS 12 HA CYS 12 -1.255 -8.992 -3.843
98 HB2 CYS 12 HB2 CYS 12 -1.602 -6.206 -4.691
99 HB3 CYS 12 HB3 CYS 12 -1.973 -6.976 -3.151
100 H HIS 13 H HIS 13 -2.847 -9.744 -5.093
101 HA HIS 13 HA HIS 13 -3.529 -8.547 -7.624
102 HB2 HIS 13 HB2 HIS 13 -1.443 -10.163 -7.892
103 HB3 HIS 13 HB3 HIS 13 -2.696 -11.401 -7.885
104 HD1 HIS 13 HD1 HIS 13 -2.993 -11.992 -10.302
105 HD2 HIS 13 HD2 HIS 13 -2.853 -7.866 -9.722
106 HE1 HIS 13 HE1 HIS 13 -3.489 -10.936 -12.550
107 H ARG 14 H ARG 14 -4.877 -10.625 -8.798
108 HA ARG 14 HA ARG 14 -6.859 -11.782 -8.728
109 HB2 ARG 14 HB2 ARG 14 -5.509 -13.153 -7.074
110 HB3 ARG 14 HB3 ARG 14 -6.292 -12.223 -5.795
111 HG2 ARG 14 HG2 ARG 14 -7.552 -14.277 -6.159
112 HG3 ARG 14 HG3 ARG 14 -8.512 -12.907 -6.720
113 HD2 ARG 14 HD2 ARG 14 -6.703 -14.155 -8.718
114 HD3 ARG 14 HD3 ARG 14 -8.096 -15.110 -8.223
115 HE ARG 14 HE ARG 14 -9.308 -12.821 -8.775
116 HH11 ARG 14 HH21 ARG 14 -6.714 -14.417 -10.417
117 HH12 ARG 14 HH22 ARG 14 -7.132 -13.790 -11.976
118 HH21 ARG 14 HH11 ARG 14 -9.861 -11.994 -10.817
119 HH22 ARG 14 HH12 ARG 14 -8.913 -12.416 -12.203
120 H ASP 15 H ASP 15 -6.246 -9.101 -6.742
121 HA ASP 15 HA ASP 15 -8.973 -8.225 -6.898
122 HB2 ASP 15 HB2 ASP 15 -9.034 -9.844 -4.968
123 HB3 ASP 15 HB3 ASP 15 -7.910 -8.781 -4.124
124 H MET 16 H MET 16 -6.038 -7.806 -4.908
125 HA MET 16 HA MET 16 -6.331 -5.008 -4.619
126 HB2 MET 16 HB2 MET 16 -3.804 -6.662 -4.460
127 HB3 MET 16 HB3 MET 16 -4.058 -5.058 -3.781
128 HG2 MET 16 HG2 MET 16 -5.060 -5.904 -1.948
129 HG3 MET 16 HG3 MET 16 -6.146 -6.887 -2.932
130 HE1 MET 16 HE1 MET 16 -4.784 -8.219 -0.016
131 HE2 MET 16 HE2 MET 16 -5.188 -9.704 -0.874
132 HE3 MET 16 HE3 MET 16 -6.201 -8.277 -1.075
133 H LYS 17 H LYS 17 -5.925 -3.412 -5.984
134 HA LYS 17 HA LYS 17 -4.115 -3.912 -8.267
135 HB2 LYS 17 HB2 LYS 17 -6.485 -3.918 -9.001
136 HB3 LYS 17 HB3 LYS 17 -6.677 -2.299 -8.330
137 HG2 LYS 17 HG2 LYS 17 -5.621 -1.328 -10.082
138 HG3 LYS 17 HG3 LYS 17 -4.345 -2.546 -10.093
139 HD2 LYS 17 HD2 LYS 17 -5.678 -4.066 -11.371
140 HD3 LYS 17 HD3 LYS 17 -7.132 -3.097 -11.131
141 HE2 LYS 17 HE2 LYS 17 -4.716 -1.922 -12.493
142 HE3 LYS 17 HE3 LYS 17 -5.878 -2.887 -13.402
143 HZ1 LYS 17 HZ1 LYS 17 -7.143 -1.092 -13.536
144 HZ2 LYS 17 HZ2 LYS 17 -6.094 -0.209 -12.533
145 HZ3 LYS 17 HZ3 LYS 17 -7.350 -1.129 -11.852
146 H PHE 18 H PHE 18 -4.813 -2.102 -5.540
147 HA PHE 18 HA PHE 18 -3.035 0.073 -6.453
148 HB2 PHE 18 HB2 PHE 18 -5.417 0.376 -4.614
149 HB3 PHE 18 HB3 PHE 18 -4.338 1.662 -5.150
150 HD1 PHE 18 HD2 PHE 18 -6.875 -0.805 -6.278
151 HD2 PHE 18 HD1 PHE 18 -4.557 2.660 -7.316
152 HE1 PHE 18 HE2 PHE 18 -8.248 -0.498 -8.321
153 HE2 PHE 18 HE1 PHE 18 -5.930 2.968 -9.356
154 HZ PHE 18 HZ PHE 18 -7.777 1.390 -9.859
155 H CYS 19 H CYS 19 -1.428 0.636 -5.070
156 HA CYS 19 HA CYS 19 -1.229 -0.916 -2.572
157 HB2 CYS 19 HB2 CYS 19 0.942 0.610 -4.032
158 HB3 CYS 19 HB3 CYS 19 1.157 -0.460 -2.648
159 H TYR 20 H TYR 20 -1.035 0.111 -0.597
160 HA TYR 20 HA TYR 20 -1.162 3.062 -0.676
161 HB2 TYR 20 HB2 TYR 20 -2.683 2.969 1.259
162 HB3 TYR 20 HB3 TYR 20 -3.365 2.158 -0.147
163 HD1 TYR 20 HD1 TYR 20 -1.467 1.532 3.011
164 HD2 TYR 20 HD2 TYR 20 -4.012 -0.107 -0.038
165 HE1 TYR 20 HE1 TYR 20 -1.703 -0.556 4.329
166 HE2 TYR 20 HE2 TYR 20 -4.245 -2.194 1.281
167 HH TYR 20 HH TYR 20 -2.245 -2.942 3.911
168 H HIS 21 H HIS 21 -0.215 4.199 0.995
169 HA HIS 21 HA HIS 21 1.664 2.660 2.689
170 HB2 HIS 21 HB2 HIS 21 2.579 4.173 0.780
171 HB3 HIS 21 HB3 HIS 21 2.124 5.509 1.837
172 HD1 HIS 21 HD1 HIS 21 4.953 3.524 1.108
173 HD2 HIS 21 HD2 HIS 21 3.236 4.845 4.671
174 HE1 HIS 21 HE1 HIS 21 6.755 3.353 2.880
175 H ASN 22 H ASN 22 0.086 2.577 4.375
176 HA ASN 22 HA ASN 22 -1.223 4.844 5.432
177 HB2 ASN 22 HB2 ASN 22 -1.774 2.401 5.868
178 HB3 ASN 22 HB3 ASN 22 -0.424 2.393 7.001
179 HD21 ASN 22 HD21 ASN 22 -3.758 3.090 6.711
180 HD22 ASN 22 HD22 ASN 22 -3.942 3.940 8.168
181 H THR 23 H THR 23 -0.519 6.464 6.665
182 HA THR 23 HA THR 23 2.188 6.251 7.829
183 HB THR 23 HB THR 23 1.500 8.914 7.958
184 HG1 THR 23 HG1 THR 23 -0.145 9.056 6.650
185 HG21 THR 23 HG21 THR 23 2.994 9.112 5.952
186 HG22 THR 23 HG22 THR 23 2.920 7.359 5.782
187 HG23 THR 23 HG23 THR 23 3.648 8.076 7.219
188 H GLY 24 H GLY 24 -1.156 6.580 8.540
189 HA2 GLY 24 HA2 GLY 24 -1.226 7.940 10.947
190 HA3 GLY 24 HA3 GLY 24 -2.285 6.590 10.549
191 H MET 25 H MET 25 -1.050 7.326 13.124
192 HA MET 25 HA MET 25 0.603 4.920 13.577
193 HB2 MET 25 HB2 MET 25 0.560 7.007 15.662
194 HB3 MET 25 HB3 MET 25 1.920 6.098 15.000
195 HG2 MET 25 HG2 MET 25 1.520 7.515 12.851
196 HG3 MET 25 HG3 MET 25 0.614 8.586 13.917
197 HE1 MET 25 HE1 MET 25 3.562 6.523 13.378
198 HE2 MET 25 HE2 MET 25 4.939 7.266 14.187
199 HE3 MET 25 HE3 MET 25 4.375 7.915 12.649
200 HA PRO 26 HA PRO 26 -2.845 3.511 16.015
201 HB2 PRO 26 HB2 PRO 26 -1.656 1.368 17.195
202 HB3 PRO 26 HB3 PRO 26 -2.125 1.382 15.483
203 HG2 PRO 26 HG2 PRO 26 0.554 1.778 16.715
204 HG3 PRO 26 HG3 PRO 26 0.107 0.904 15.241
205 HD2 PRO 26 HD2 PRO 26 1.171 3.446 15.239
206 HD3 PRO 26 HD3 PRO 26 0.130 2.810 13.947
207 H PHE 27 H PHE 27 -3.210 2.760 18.387
208 HA PHE 27 HA PHE 27 -2.459 4.859 20.128
209 HB2 PHE 27 HB2 PHE 27 -3.245 2.464 21.552
210 HB3 PHE 27 HB3 PHE 27 -4.109 3.993 21.378
211 HD1 PHE 27 HD1 PHE 27 -5.019 4.380 18.844
212 HD2 PHE 27 HD2 PHE 27 -4.320 0.577 20.717
213 HE1 PHE 27 HE1 PHE 27 -6.602 3.310 17.264
214 HE2 PHE 27 HE2 PHE 27 -5.903 -0.492 19.136
215 HZ PHE 27 HZ PHE 27 -7.044 0.874 17.409
216 H ARG 28 H ARG 28 -1.399 1.465 19.925
217 HA ARG 28 HA ARG 28 0.499 1.686 22.047
218 HB2 ARG 28 HB2 ARG 28 0.009 -0.331 19.863
219 HB3 ARG 28 HB3 ARG 28 1.396 -0.472 20.944
220 HG2 ARG 28 HG2 ARG 28 0.052 -0.772 22.843
221 HG3 ARG 28 HG3 ARG 28 -1.360 -0.047 22.073
222 HD2 ARG 28 HD2 ARG 28 -0.125 -2.646 21.140
223 HD3 ARG 28 HD3 ARG 28 -1.440 -2.573 22.308
224 HE ARG 28 HE ARG 28 -2.515 -1.163 20.335
225 HH11 ARG 28 HH21 ARG 28 -0.597 -4.042 20.241
226 HH12 ARG 28 HH22 ARG 28 -1.336 -4.652 18.798
227 HH21 ARG 28 HH11 ARG 28 -3.487 -1.957 18.443
228 HH22 ARG 28 HH12 ARG 28 -2.973 -3.473 17.780
229 H ASN 29 H ASN 29 2.576 2.333 22.017
230 HA ASN 29 HA ASN 29 3.597 3.754 19.768
231 HB2 ASN 29 HB2 ASN 29 4.119 4.055 22.295
232 HB3 ASN 29 HB3 ASN 29 5.309 2.780 22.037
233 HD21 ASN 29 HD21 ASN 29 4.275 5.838 20.397
234 HD22 ASN 29 HD22 ASN 29 5.856 6.337 20.034
235 H LEU 30 H LEU 30 2.948 0.980 19.187
236 HA LEU 30 HA LEU 30 5.595 0.134 18.198
237 HB2 LEU 30 HB2 LEU 30 3.508 -1.602 19.528
238 HB3 LEU 30 HB3 LEU 30 4.846 -2.247 18.576
239 HG LEU 30 HG LEU 30 6.216 -0.571 20.191
240 HD11 LEU 30 HD11 LEU 30 3.770 -0.285 21.286
241 HD12 LEU 30 HD12 LEU 30 5.251 -0.207 22.242
242 HD13 LEU 30 HD13 LEU 30 4.316 -1.702 22.183
243 HD21 LEU 30 HD21 LEU 30 5.393 -3.443 20.429
244 HD22 LEU 30 HD22 LEU 30 6.315 -2.724 21.750
245 HD23 LEU 30 HD23 LEU 30 6.989 -2.760 20.121
246 H LYS 31 H LYS 31 5.450 -1.347 16.340
247 HA LYS 31 HA LYS 31 4.760 -1.701 14.177
248 HB2 LYS 31 HB2 LYS 31 3.062 -2.989 15.744
249 HB3 LYS 31 HB3 LYS 31 1.924 -1.796 15.117
250 HG2 LYS 31 HG2 LYS 31 2.287 -2.484 12.863
251 HG3 LYS 31 HG3 LYS 31 3.717 -3.420 13.303
252 HD2 LYS 31 HD2 LYS 31 0.949 -4.044 14.356
253 HD3 LYS 31 HD3 LYS 31 1.623 -4.796 12.910
254 HE2 LYS 31 HE2 LYS 31 3.665 -5.089 14.749
255 HE3 LYS 31 HE3 LYS 31 2.222 -5.318 15.735
256 HZ1 LYS 31 HZ1 LYS 31 3.365 -7.206 14.174
257 HZ2 LYS 31 HZ2 LYS 31 2.098 -6.648 13.191
258 HZ3 LYS 31 HZ3 LYS 31 1.769 -7.247 14.746
259 H LEU 32 H LEU 32 5.310 0.742 14.071
260 HA LEU 32 HA LEU 32 2.996 2.456 13.630
261 HB2 LEU 32 HB2 LEU 32 5.919 3.090 13.181
262 HB3 LEU 32 HB3 LEU 32 4.589 4.237 13.355
263 HG LEU 32 HG LEU 32 4.383 2.673 15.638
264 HD11 LEU 32 HD11 LEU 32 6.607 2.548 16.593
265 HD12 LEU 32 HD12 LEU 32 7.305 3.338 15.179
266 HD13 LEU 32 HD13 LEU 32 6.632 1.714 15.039
267 HD21 LEU 32 HD21 LEU 32 5.969 5.245 15.415
268 HD22 LEU 32 HD22 LEU 32 5.015 4.687 16.789
269 HD23 LEU 32 HD23 LEU 32 4.210 5.191 15.304
270 H ILE 33 H ILE 33 3.664 0.073 11.909
271 HA ILE 33 HA ILE 33 3.751 1.504 9.321
272 HB ILE 33 HB ILE 33 4.913 -1.188 10.062
273 HG12 ILE 33 HG12 ILE 33 6.102 1.156 10.371
274 HG13 ILE 33 HG13 ILE 33 6.992 -0.206 9.687
275 HG21 ILE 33 HG21 ILE 33 3.847 -1.476 7.924
276 HG22 ILE 33 HG22 ILE 33 5.567 -1.239 7.611
277 HG23 ILE 33 HG23 ILE 33 4.434 0.088 7.357
278 HD11 ILE 33 HD11 ILE 33 6.717 0.598 7.461
279 HD12 ILE 33 HD12 ILE 33 7.163 2.014 8.415
280 HD13 ILE 33 HD13 ILE 33 5.480 1.756 7.953
281 H LEU 34 H LEU 34 2.057 1.188 8.010
282 HA LEU 34 HA LEU 34 0.404 -1.212 8.320
283 HB2 LEU 34 HB2 LEU 34 -0.416 1.548 9.027
284 HB3 LEU 34 HB3 LEU 34 -1.569 0.625 8.064
285 HG LEU 34 HG LEU 34 -0.330 -0.832 10.335
286 HD11 LEU 34 HD11 LEU 34 -2.027 1.622 10.655
287 HD12 LEU 34 HD12 LEU 34 -0.668 1.071 11.634
288 HD13 LEU 34 HD13 LEU 34 -2.237 0.277 11.776
289 HD21 LEU 34 HD21 LEU 34 -2.206 -1.549 8.672
290 HD22 LEU 34 HD22 LEU 34 -3.253 -0.526 9.656
291 HD23 LEU 34 HD23 LEU 34 -2.428 -1.905 10.384
292 H GLN 35 H GLN 35 2.085 -0.871 6.269
293 HA GLN 35 HA GLN 35 0.560 0.309 4.053
294 HB2 GLN 35 HB2 GLN 35 2.651 -0.092 2.746
295 HB3 GLN 35 HB3 GLN 35 2.887 0.967 4.137
296 HG2 GLN 35 HG2 GLN 35 3.690 -0.978 5.455
297 HG3 GLN 35 HG3 GLN 35 3.509 -1.999 4.032
298 HE21 GLN 35 HE21 GLN 35 5.890 -0.570 5.715
299 HE22 GLN 35 HE22 GLN 35 6.952 -0.140 4.463
300 H GLY 36 H GLY 36 -0.270 -0.880 2.406
301 HA2 GLY 36 HA2 GLY 36 0.413 -3.637 1.957
302 HA3 GLY 36 HA3 GLY 36 -1.155 -3.451 2.738
303 H CYS 37 H CYS 37 -1.948 -4.462 0.720
304 HA CYS 37 HA CYS 37 -2.254 -2.442 -1.416
305 HB2 CYS 37 HB2 CYS 37 -2.714 -5.270 -2.100
306 HB3 CYS 37 HB3 CYS 37 -1.925 -4.006 -3.036
307 H SER 38 H SER 38 -4.251 -2.729 -2.708
308 HA SER 38 HA SER 38 -6.471 -4.188 -1.714
309 HB2 SER 38 HB2 SER 38 -6.054 -2.252 0.013
310 HB3 SER 38 HB3 SER 38 -6.825 -1.255 -1.218
311 HG SER 38 HG SER 38 -7.867 -3.628 -0.049
312 H SER 39 H SER 39 -8.511 -3.539 -2.820
313 HA SER 39 HA SER 39 -7.908 -2.744 -5.559
314 HB2 SER 39 HB2 SER 39 -10.709 -3.244 -5.014
315 HB3 SER 39 HB3 SER 39 -9.611 -4.103 -6.091
316 HG SER 39 HG SER 39 -10.331 -5.456 -4.419
317 H SER 40 H SER 40 -9.960 -1.693 -2.864
318 HA SER 40 HA SER 40 -10.345 0.882 -4.268
319 HB2 SER 40 HB2 SER 40 -12.428 -0.473 -3.913
320 HB3 SER 40 HB3 SER 40 -12.160 -0.336 -2.178
321 HG SER 40 HG SER 40 -12.541 1.766 -4.051
322 H CYS 41 H CYS 41 -8.183 1.312 -3.241
323 HA CYS 41 HA CYS 41 -7.914 1.534 -0.425
324 HB2 CYS 41 HB2 CYS 41 -5.956 1.440 -1.861
325 HB3 CYS 41 HB3 CYS 41 -6.442 2.931 -2.669
326 H SER 42 H SER 42 -8.144 3.280 0.942
327 HA SER 42 HA SER 42 -9.858 5.446 -0.079
328 HB2 SER 42 HB2 SER 42 -9.667 3.968 2.444
329 HB3 SER 42 HB3 SER 42 -9.796 5.712 2.659
330 HG SER 42 HG SER 42 -11.672 5.698 1.464
331 H GLU 43 H GLU 43 -8.173 6.695 -1.008
332 HA GLU 43 HA GLU 43 -5.787 7.481 0.130
333 HB2 GLU 43 HB2 GLU 43 -6.657 8.034 -2.188
334 HB3 GLU 43 HB3 GLU 43 -7.573 9.343 -1.440
335 HG2 GLU 43 HG2 GLU 43 -5.493 10.300 -0.540
336 HG3 GLU 43 HG3 GLU 43 -4.567 8.987 -1.264
337 H THR 44 H THR 44 -5.126 9.051 1.551
338 HA THR 44 HA THR 44 -6.725 11.133 2.576
339 HB THR 44 HB THR 44 -6.444 9.422 4.892
340 HG1 THR 44 HG1 THR 44 -6.773 7.743 3.430
341 HG21 THR 44 HG21 THR 44 -7.874 11.431 4.719
342 HG22 THR 44 HG22 THR 44 -8.819 10.007 5.153
343 HG23 THR 44 HG23 THR 44 -8.857 10.619 3.500
344 H GLU 45 H GLU 45 -5.489 12.544 3.726
345 HA GLU 45 HA GLU 45 -2.804 12.669 3.601
346 HB2 GLU 45 HB2 GLU 45 -4.624 13.590 5.821
347 HB3 GLU 45 HB3 GLU 45 -2.899 13.958 5.814
348 HG2 GLU 45 HG2 GLU 45 -3.962 14.515 3.208
349 HG3 GLU 45 HG3 GLU 45 -4.978 15.307 4.411
350 H ASN 46 H ASN 46 -4.609 10.523 5.631
351 HA ASN 46 HA ASN 46 -2.267 9.825 7.239
352 HB2 ASN 46 HB2 ASN 46 -4.500 9.998 8.308
353 HB3 ASN 46 HB3 ASN 46 -5.065 8.672 7.293
354 HD21 ASN 46 HD21 ASN 46 -4.999 8.471 10.168
355 HD22 ASN 46 HD22 ASN 46 -3.845 7.297 10.581
356 H ASN 47 H ASN 47 -4.376 8.444 4.760
357 HA ASN 47 HA ASN 47 -2.348 6.345 4.320
358 HB2 ASN 47 HB2 ASN 47 -4.243 5.317 5.462
359 HB3 ASN 47 HB3 ASN 47 -5.353 5.997 4.274
360 HD21 ASN 47 HD21 ASN 47 -4.802 5.326 1.897
361 HD22 ASN 47 HD22 ASN 47 -4.284 3.726 1.670
362 H LYS 48 H LYS 48 -1.507 6.580 2.361
363 HA LYS 48 HA LYS 48 -3.094 7.907 0.269
364 HB2 LYS 48 HB2 LYS 48 -0.157 7.209 0.178
365 HB3 LYS 48 HB3 LYS 48 -1.027 8.356 -0.841
366 HG2 LYS 48 HG2 LYS 48 -0.513 9.973 0.635
367 HG3 LYS 48 HG3 LYS 48 -1.537 9.157 1.816
368 HD2 LYS 48 HD2 LYS 48 0.293 7.919 2.704
369 HD3 LYS 48 HD3 LYS 48 1.331 8.332 1.338
370 HE2 LYS 48 HE2 LYS 48 0.341 10.183 3.518
371 HE3 LYS 48 HE3 LYS 48 2.009 9.734 3.164
372 HZ1 LYS 48 HZ1 LYS 48 1.649 11.859 2.230
373 HZ2 LYS 48 HZ2 LYS 48 0.190 11.380 1.502
374 HZ3 LYS 48 HZ3 LYS 48 1.669 10.767 0.933
375 H CYS 49 H CYS 49 -2.761 7.074 -1.983
376 HA CYS 49 HA CYS 49 -2.414 4.154 -2.088
377 HB2 CYS 49 HB2 CYS 49 -4.656 5.405 -3.621
378 HB3 CYS 49 HB3 CYS 49 -4.464 3.741 -3.076
379 H CYS 50 H CYS 50 -1.062 3.620 -3.665
380 HA CYS 50 HA CYS 50 -0.496 5.576 -5.780
381 HB2 CYS 50 HB2 CYS 50 1.026 3.471 -4.403
382 HB3 CYS 50 HB3 CYS 50 1.267 3.498 -6.150
383 H SER 51 H SER 51 0.462 3.866 -7.743
384 HA SER 51 HA SER 51 -1.554 1.888 -8.375
385 HB2 SER 51 HB2 SER 51 -2.906 3.187 -9.603
386 HB3 SER 51 HB3 SER 51 -1.902 4.591 -9.248
387 HG SER 51 HG SER 51 -1.204 4.472 -11.216
388 H THR 52 H THR 52 1.419 2.298 -8.111
389 HA THR 52 HA THR 52 2.157 1.124 -10.720
390 HB THR 52 HB THR 52 4.172 2.697 -9.174
391 HG1 THR 52 HG1 THR 52 3.054 4.437 -9.411
392 HG21 THR 52 HG21 THR 52 5.308 2.662 -11.152
393 HG22 THR 52 HG22 THR 52 3.847 2.900 -12.109
394 HG23 THR 52 HG23 THR 52 4.251 1.295 -11.501
395 H ASP 53 H ASP 53 4.811 0.561 -10.048
396 HA ASP 53 HA ASP 53 4.397 -1.665 -8.189
397 HB2 ASP 53 HB2 ASP 53 7.018 -1.335 -9.509
398 HB3 ASP 53 HB3 ASP 53 6.009 -2.771 -9.345
399 H ARG 54 H ARG 54 5.605 -1.973 -6.333
400 HA ARG 54 HA ARG 54 6.445 -1.086 -4.346
401 HB2 ARG 54 HB2 ARG 54 8.880 -0.606 -4.602
402 HB3 ARG 54 HB3 ARG 54 8.383 -2.110 -5.377
403 HG2 ARG 54 HG2 ARG 54 8.413 -1.111 -7.551
404 HG3 ARG 54 HG3 ARG 54 8.558 0.513 -6.875
405 HD2 ARG 54 HD2 ARG 54 10.794 0.176 -6.226
406 HD3 ARG 54 HD3 ARG 54 10.647 -1.578 -6.296
407 HE ARG 54 HE ARG 54 10.343 -0.150 -8.829
408 HH11 ARG 54 HH21 ARG 54 12.338 -1.927 -6.628
409 HH12 ARG 54 HH22 ARG 54 13.506 -2.368 -7.828
410 HH21 ARG 54 HH11 ARG 54 11.872 -0.728 -10.407
411 HH22 ARG 54 HH12 ARG 54 13.242 -1.690 -9.967
412 H CYS 55 H CYS 55 4.736 0.791 -5.348
413 HA CYS 55 HA CYS 55 6.001 3.354 -5.675
414 HB2 CYS 55 HB2 CYS 55 3.693 2.629 -6.553
415 HB3 CYS 55 HB3 CYS 55 3.121 2.908 -4.908
416 H ASN 56 H ASN 56 4.705 1.485 -3.019
417 HA ASN 56 HA ASN 56 4.777 3.704 -1.152
418 HB2 ASN 56 HB2 ASN 56 4.648 0.934 -0.125
419 HB3 ASN 56 HB3 ASN 56 3.648 2.330 0.267
420 HD21 ASN 56 HD21 ASN 56 1.525 1.881 -0.318
421 HD22 ASN 56 HD22 ASN 56 1.056 1.097 -1.748
422 H LYS 57 H LYS 57 7.251 3.398 -2.379
423 HA LYS 57 HA LYS 57 9.493 3.218 -1.911
424 HB2 LYS 57 HB2 LYS 57 8.310 3.409 0.856
425 HB3 LYS 57 HB3 LYS 57 10.049 3.267 0.599
426 HG2 LYS 57 HG2 LYS 57 10.193 5.330 -0.492
427 HG3 LYS 57 HG3 LYS 57 8.481 5.335 -0.917
428 HD2 LYS 57 HD2 LYS 57 8.691 6.920 0.849
429 HD3 LYS 57 HD3 LYS 57 8.012 5.475 1.600
430 HE2 LYS 57 HE2 LYS 57 10.972 6.122 1.552
431 HE3 LYS 57 HE3 LYS 57 9.905 6.494 2.905
432 HZ1 LYS 57 HZ1 LYS 57 10.301 4.445 3.616
433 HZ2 LYS 57 HZ2 LYS 57 11.095 4.015 2.178
434 HZ3 LYS 57 HZ3 LYS 57 9.407 3.865 2.298
Start of MODEL 11
1 H1 LEU 1 H1 LEU 1 2.378 -5.648 -10.362
2 H2 LEU 1 H2 LEU 1 2.728 -3.988 -10.293
3 H3 LEU 1 H3 LEU 1 1.484 -4.554 -11.301
4 HA LEU 1 HA LEU 1 0.805 -3.482 -9.113
5 HB2 LEU 1 HB2 LEU 1 -0.109 -6.255 -9.931
6 HB3 LEU 1 HB3 LEU 1 -0.978 -5.229 -8.789
7 HG LEU 1 HG LEU 1 -0.232 -3.983 -11.385
8 HD11 LEU 1 HD11 LEU 1 -2.522 -5.019 -12.211
9 HD12 LEU 1 HD12 LEU 1 -2.099 -6.313 -11.091
10 HD13 LEU 1 HD13 LEU 1 -1.016 -5.912 -12.424
11 HD21 LEU 1 HD21 LEU 1 -2.982 -3.935 -10.256
12 HD22 LEU 1 HD22 LEU 1 -2.002 -2.612 -10.887
13 HD23 LEU 1 HD23 LEU 1 -1.722 -3.213 -9.254
14 H LYS 2 H LYS 2 3.182 -3.958 -8.122
15 HA LYS 2 HA LYS 2 2.726 -5.865 -5.907
16 HB2 LYS 2 HB2 LYS 2 5.056 -6.454 -5.920
17 HB3 LYS 2 HB3 LYS 2 4.453 -6.644 -7.566
18 HG2 LYS 2 HG2 LYS 2 5.297 -3.945 -7.319
19 HG3 LYS 2 HG3 LYS 2 6.574 -4.942 -6.622
20 HD2 LYS 2 HD2 LYS 2 6.413 -6.391 -8.709
21 HD3 LYS 2 HD3 LYS 2 5.392 -5.129 -9.401
22 HE2 LYS 2 HE2 LYS 2 7.292 -4.101 -10.053
23 HE3 LYS 2 HE3 LYS 2 7.581 -3.745 -8.351
24 HZ1 LYS 2 HZ1 LYS 2 8.852 -5.678 -10.067
25 HZ2 LYS 2 HZ2 LYS 2 8.393 -6.302 -8.555
26 HZ3 LYS 2 HZ3 LYS 2 9.420 -4.952 -8.644
27 H CYS 3 H CYS 3 3.724 -5.305 -3.893
28 HA CYS 3 HA CYS 3 4.878 -2.660 -3.584
29 HB2 CYS 3 HB2 CYS 3 2.736 -2.876 -1.659
30 HB3 CYS 3 HB3 CYS 3 3.079 -1.576 -2.801
31 H TYR 4 H TYR 4 4.937 -2.302 -0.971
32 HA TYR 4 HA TYR 4 6.261 -4.731 0.028
33 HB2 TYR 4 HB2 TYR 4 6.546 -1.805 0.646
34 HB3 TYR 4 HB3 TYR 4 7.122 -3.024 1.783
35 HD1 TYR 4 HD1 TYR 4 8.694 -4.841 0.916
36 HD2 TYR 4 HD2 TYR 4 7.823 -1.249 -1.269
37 HE1 TYR 4 HE1 TYR 4 10.725 -5.189 -0.462
38 HE2 TYR 4 HE2 TYR 4 9.855 -1.593 -2.648
39 HH TYR 4 HH TYR 4 11.308 -4.128 -3.178
40 H GLN 5 H GLN 5 4.594 -5.911 0.846
41 HA GLN 5 HA GLN 5 2.799 -4.641 2.798
42 HB2 GLN 5 HB2 GLN 5 1.843 -6.064 0.990
43 HB3 GLN 5 HB3 GLN 5 2.703 -7.445 1.670
44 HG2 GLN 5 HG2 GLN 5 1.313 -7.593 3.485
45 HG3 GLN 5 HG3 GLN 5 1.070 -5.849 3.570
46 HE21 GLN 5 HE21 GLN 5 -1.289 -6.865 3.854
47 HE22 GLN 5 HE22 GLN 5 -2.180 -7.009 2.417
48 H HIS 6 H HIS 6 5.366 -7.028 2.572
49 HA HIS 6 HA HIS 6 5.370 -7.185 5.517
50 HB2 HIS 6 HB2 HIS 6 5.579 -9.516 3.601
51 HB3 HIS 6 HB3 HIS 6 5.930 -9.612 5.326
52 HD1 HIS 6 HD1 HIS 6 3.360 -10.651 3.339
53 HD2 HIS 6 HD2 HIS 6 3.382 -8.026 6.577
54 HE1 HIS 6 HE1 HIS 6 0.989 -10.591 4.230
55 H GLY 7 H GLY 7 7.016 -5.502 4.033
56 HA2 GLY 7 HA2 GLY 7 9.273 -4.917 4.218
57 HA3 GLY 7 HA3 GLY 7 9.628 -6.554 4.768
58 H LYS 8 H LYS 8 8.369 -7.938 2.633
59 HA LYS 8 HA LYS 8 10.395 -7.542 0.557
60 HB2 LYS 8 HB2 LYS 8 8.385 -9.729 0.364
61 HB3 LYS 8 HB3 LYS 8 10.116 -9.755 0.026
62 HG2 LYS 8 HG2 LYS 8 10.235 -9.307 2.668
63 HG3 LYS 8 HG3 LYS 8 8.684 -10.145 2.611
64 HD2 LYS 8 HD2 LYS 8 9.656 -12.084 1.611
65 HD3 LYS 8 HD3 LYS 8 11.163 -11.234 1.262
66 HE2 LYS 8 HE2 LYS 8 11.456 -10.930 3.758
67 HE3 LYS 8 HE3 LYS 8 10.088 -12.020 3.982
68 HZ1 LYS 8 HZ1 LYS 8 11.806 -13.494 4.026
69 HZ2 LYS 8 HZ2 LYS 8 12.778 -12.587 2.968
70 HZ3 LYS 8 HZ3 LYS 8 11.481 -13.504 2.362
71 H VAL 9 H VAL 9 9.346 -8.249 -1.736
72 HA VAL 9 HA VAL 9 7.259 -6.229 -2.194
73 HB VAL 9 HB VAL 9 8.481 -7.602 -4.507
74 HG11 VAL 9 HG11 VAL 9 8.465 -5.375 -5.405
75 HG12 VAL 9 HG12 VAL 9 8.280 -4.665 -3.800
76 HG13 VAL 9 HG13 VAL 9 6.951 -5.572 -4.523
77 HG21 VAL 9 HG21 VAL 9 10.590 -6.271 -4.263
78 HG22 VAL 9 HG22 VAL 9 10.429 -7.531 -3.039
79 HG23 VAL 9 HG23 VAL 9 10.094 -5.851 -2.623
80 H VAL 10 H VAL 10 5.296 -7.106 -1.886
81 HA VAL 10 HA VAL 10 4.718 -9.809 -2.835
82 HB VAL 10 HB VAL 10 2.478 -9.379 -1.795
83 HG11 VAL 10 HG11 VAL 10 3.273 -9.624 0.448
84 HG12 VAL 10 HG12 VAL 10 4.749 -8.723 0.096
85 HG13 VAL 10 HG13 VAL 10 4.516 -10.334 -0.583
86 HG21 VAL 10 HG21 VAL 10 3.482 -7.008 -0.357
87 HG22 VAL 10 HG22 VAL 10 1.880 -7.322 -1.026
88 HG23 VAL 10 HG23 VAL 10 3.172 -6.730 -2.071
89 H THR 11 H THR 11 3.057 -10.270 -4.340
90 HA THR 11 HA THR 11 2.597 -8.078 -6.253
91 HB THR 11 HB THR 11 1.867 -10.819 -7.048
92 HG1 THR 11 HG1 THR 11 4.385 -10.879 -7.397
93 HG21 THR 11 HG21 THR 11 3.657 -8.689 -8.251
94 HG22 THR 11 HG22 THR 11 1.934 -8.875 -8.581
95 HG23 THR 11 HG23 THR 11 3.066 -10.133 -9.075
96 H CYS 12 H CYS 12 0.941 -7.438 -4.490
97 HA CYS 12 HA CYS 12 -1.374 -8.757 -3.873
98 HB2 CYS 12 HB2 CYS 12 -1.595 -5.905 -4.759
99 HB3 CYS 12 HB3 CYS 12 -2.290 -6.695 -3.343
100 H HIS 13 H HIS 13 -3.092 -9.531 -4.953
101 HA HIS 13 HA HIS 13 -3.881 -8.414 -7.518
102 HB2 HIS 13 HB2 HIS 13 -2.013 -10.391 -7.624
103 HB3 HIS 13 HB3 HIS 13 -3.502 -11.335 -7.674
104 HD1 HIS 13 HD1 HIS 13 -3.835 -11.857 -10.101
105 HD2 HIS 13 HD2 HIS 13 -2.816 -7.859 -9.500
106 HE1 HIS 13 HE1 HIS 13 -4.009 -10.725 -12.360
107 H ARG 14 H ARG 14 -5.351 -10.753 -8.307
108 HA ARG 14 HA ARG 14 -7.403 -11.735 -7.999
109 HB2 ARG 14 HB2 ARG 14 -6.261 -12.792 -6.060
110 HB3 ARG 14 HB3 ARG 14 -6.780 -11.441 -5.052
111 HG2 ARG 14 HG2 ARG 14 -8.976 -12.116 -5.032
112 HG3 ARG 14 HG3 ARG 14 -8.886 -12.804 -6.654
113 HD2 ARG 14 HD2 ARG 14 -7.966 -14.808 -5.900
114 HD3 ARG 14 HD3 ARG 14 -7.324 -14.078 -4.432
115 HE ARG 14 HE ARG 14 -10.086 -13.888 -4.233
116 HH11 ARG 14 HH21 ARG 14 -7.686 -16.352 -4.600
117 HH12 ARG 14 HH22 ARG 14 -8.596 -17.560 -3.756
118 HH21 ARG 14 HH11 ARG 14 -11.288 -15.467 -3.123
119 HH22 ARG 14 HH12 ARG 14 -10.635 -17.058 -2.919
120 H ASP 15 H ASP 15 -6.662 -8.643 -7.045
121 HA ASP 15 HA ASP 15 -9.055 -7.458 -7.612
122 HB2 ASP 15 HB2 ASP 15 -9.735 -7.019 -5.065
123 HB3 ASP 15 HB3 ASP 15 -10.382 -8.377 -5.984
124 H MET 16 H MET 16 -6.506 -7.473 -5.147
125 HA MET 16 HA MET 16 -6.439 -4.677 -4.720
126 HB2 MET 16 HB2 MET 16 -4.212 -6.703 -4.406
127 HB3 MET 16 HB3 MET 16 -4.282 -5.105 -3.668
128 HG2 MET 16 HG2 MET 16 -5.941 -5.713 -2.167
129 HG3 MET 16 HG3 MET 16 -6.568 -6.982 -3.218
130 HE1 MET 16 HE1 MET 16 -5.641 -8.833 -0.062
131 HE2 MET 16 HE2 MET 16 -6.718 -7.603 -0.716
132 HE3 MET 16 HE3 MET 16 -5.334 -7.121 0.261
133 H LYS 17 H LYS 17 -6.184 -3.327 -6.416
134 HA LYS 17 HA LYS 17 -3.957 -3.884 -8.283
135 HB2 LYS 17 HB2 LYS 17 -6.508 -2.323 -8.762
136 HB3 LYS 17 HB3 LYS 17 -5.200 -2.521 -9.929
137 HG2 LYS 17 HG2 LYS 17 -5.545 -5.083 -9.467
138 HG3 LYS 17 HG3 LYS 17 -7.133 -4.573 -8.892
139 HD2 LYS 17 HD2 LYS 17 -7.502 -3.397 -11.061
140 HD3 LYS 17 HD3 LYS 17 -5.959 -4.031 -11.635
141 HE2 LYS 17 HE2 LYS 17 -6.980 -6.350 -10.906
142 HE3 LYS 17 HE3 LYS 17 -8.515 -5.498 -11.070
143 HZ1 LYS 17 HZ1 LYS 17 -6.574 -5.192 -13.228
144 HZ2 LYS 17 HZ2 LYS 17 -8.269 -5.279 -13.294
145 HZ3 LYS 17 HZ3 LYS 17 -7.351 -6.694 -13.097
146 H PHE 18 H PHE 18 -4.383 -2.257 -5.617
147 HA PHE 18 HA PHE 18 -2.681 -0.035 -6.477
148 HB2 PHE 18 HB2 PHE 18 -5.235 0.373 -4.906
149 HB3 PHE 18 HB3 PHE 18 -4.039 1.616 -5.268
150 HD1 PHE 18 HD1 PHE 18 -6.461 -0.754 -6.806
151 HD2 PHE 18 HD2 PHE 18 -3.984 2.707 -7.385
152 HE1 PHE 18 HE1 PHE 18 -7.544 -0.346 -9.000
153 HE2 PHE 18 HE2 PHE 18 -5.065 3.115 -9.579
154 HZ PHE 18 HZ PHE 18 -6.845 1.587 -10.387
155 H CYS 19 H CYS 19 -1.211 0.565 -4.962
156 HA CYS 19 HA CYS 19 -1.208 -0.972 -2.450
157 HB2 CYS 19 HB2 CYS 19 1.082 0.670 -3.529
158 HB3 CYS 19 HB3 CYS 19 1.137 -0.655 -2.367
159 H TYR 20 H TYR 20 -1.116 0.074 -0.455
160 HA TYR 20 HA TYR 20 -1.333 3.015 -0.569
161 HB2 TYR 20 HB2 TYR 20 -3.130 3.032 0.948
162 HB3 TYR 20 HB3 TYR 20 -3.524 1.753 -0.194
163 HD1 TYR 20 HD1 TYR 20 -1.948 2.370 3.132
164 HD2 TYR 20 HD2 TYR 20 -3.883 -0.461 0.544
165 HE1 TYR 20 HE1 TYR 20 -2.059 0.740 4.998
166 HE2 TYR 20 HE2 TYR 20 -3.992 -2.092 2.410
167 HH TYR 20 HH TYR 20 -2.255 -2.151 4.904
168 H HIS 21 H HIS 21 -0.488 4.169 1.088
169 HA HIS 21 HA HIS 21 1.205 2.680 3.007
170 HB2 HIS 21 HB2 HIS 21 2.374 4.069 1.193
171 HB3 HIS 21 HB3 HIS 21 1.742 5.487 2.031
172 HD1 HIS 21 HD1 HIS 21 4.725 3.668 1.895
173 HD2 HIS 21 HD2 HIS 21 2.394 4.999 5.084
174 HE1 HIS 21 HE1 HIS 21 6.236 3.690 3.926
175 H ASN 22 H ASN 22 -0.344 2.638 4.642
176 HA ASN 22 HA ASN 22 -1.750 5.011 5.450
177 HB2 ASN 22 HB2 ASN 22 -2.862 2.945 5.828
178 HB3 ASN 22 HB3 ASN 22 -1.464 2.263 6.658
179 HD21 ASN 22 HD21 ASN 22 -3.211 1.921 8.426
180 HD22 ASN 22 HD22 ASN 22 -3.470 3.203 9.507
181 H THR 23 H THR 23 -0.945 6.608 6.609
182 HA THR 23 HA THR 23 1.439 6.135 8.269
183 HB THR 23 HB THR 23 1.803 8.499 8.191
184 HG1 THR 23 HG1 THR 23 -0.624 8.822 6.796
185 HG21 THR 23 HG21 THR 23 0.769 7.561 5.499
186 HG22 THR 23 HG22 THR 23 2.396 7.297 6.129
187 HG23 THR 23 HG23 THR 23 1.848 8.932 5.759
188 H GLY 24 H GLY 24 -1.936 6.600 8.430
189 HA2 GLY 24 HA2 GLY 24 -3.397 7.109 10.154
190 HA3 GLY 24 HA3 GLY 24 -2.332 6.039 11.061
191 H MET 25 H MET 25 -3.082 7.491 12.847
192 HA MET 25 HA MET 25 -2.188 10.201 12.959
193 HB2 MET 25 HB2 MET 25 -2.489 9.054 15.577
194 HB3 MET 25 HB3 MET 25 -3.530 10.216 14.753
195 HG2 MET 25 HG2 MET 25 -4.561 8.279 13.503
196 HG3 MET 25 HG3 MET 25 -3.647 7.196 14.553
197 HE1 MET 25 HE1 MET 25 -7.245 8.697 14.292
198 HE2 MET 25 HE2 MET 25 -7.514 7.318 15.355
199 HE3 MET 25 HE3 MET 25 -6.448 7.153 13.962
200 HA PRO 26 HA PRO 26 1.963 10.303 14.333
201 HB2 PRO 26 HB2 PRO 26 1.018 10.884 17.114
202 HB3 PRO 26 HB3 PRO 26 2.236 11.729 16.138
203 HG2 PRO 26 HG2 PRO 26 -0.235 12.700 16.485
204 HG3 PRO 26 HG3 PRO 26 0.673 12.933 14.983
205 HD2 PRO 26 HD2 PRO 26 -1.689 11.220 15.487
206 HD3 PRO 26 HD3 PRO 26 -1.078 11.875 13.953
207 H PHE 27 H PHE 27 0.330 9.171 17.293
208 HA PHE 27 HA PHE 27 0.716 7.345 18.636
209 HB2 PHE 27 HB2 PHE 27 0.533 6.370 15.868
210 HB3 PHE 27 HB3 PHE 27 1.361 5.268 16.969
211 HD1 PHE 27 HD1 PHE 27 -1.810 7.003 16.242
212 HD2 PHE 27 HD2 PHE 27 0.207 4.263 18.864
213 HE1 PHE 27 HE1 PHE 27 -3.990 6.321 17.206
214 HE2 PHE 27 HE2 PHE 27 -1.973 3.581 19.829
215 HZ PHE 27 HZ PHE 27 -4.072 4.610 18.999
216 H ARG 28 H ARG 28 2.337 5.913 19.494
217 HA ARG 28 HA ARG 28 5.004 5.957 18.364
218 HB2 ARG 28 HB2 ARG 28 4.568 8.145 19.754
219 HB3 ARG 28 HB3 ARG 28 4.790 7.071 21.136
220 HG2 ARG 28 HG2 ARG 28 6.978 6.383 20.301
221 HG3 ARG 28 HG3 ARG 28 6.754 7.350 18.842
222 HD2 ARG 28 HD2 ARG 28 7.007 8.358 21.686
223 HD3 ARG 28 HD3 ARG 28 8.128 8.629 20.355
224 HE ARG 28 HE ARG 28 5.593 9.994 20.795
225 HH11 ARG 28 HH21 ARG 28 8.184 9.191 18.648
226 HH12 ARG 28 HH22 ARG 28 7.902 10.527 17.584
227 HH21 ARG 28 HH11 ARG 28 5.215 11.750 19.403
228 HH22 ARG 28 HH12 ARG 28 6.219 11.975 18.010
229 H ASN 29 H ASN 29 5.024 3.738 18.424
230 HA ASN 29 HA ASN 29 5.148 2.547 21.116
231 HB2 ASN 29 HB2 ASN 29 4.026 0.490 19.957
232 HB3 ASN 29 HB3 ASN 29 3.019 1.813 20.539
233 HD21 ASN 29 HD21 ASN 29 2.975 3.704 18.660
234 HD22 ASN 29 HD22 ASN 29 2.558 3.101 17.129
235 H LEU 30 H LEU 30 5.154 0.759 18.108
236 HA LEU 30 HA LEU 30 8.082 0.567 18.134
237 HB2 LEU 30 HB2 LEU 30 6.472 -1.391 19.316
238 HB3 LEU 30 HB3 LEU 30 6.888 -2.050 17.735
239 HG LEU 30 HG LEU 30 8.954 -0.834 19.580
240 HD11 LEU 30 HD11 LEU 30 8.835 -2.661 20.885
241 HD12 LEU 30 HD12 LEU 30 9.192 -3.668 19.482
242 HD13 LEU 30 HD13 LEU 30 7.519 -3.302 19.902
243 HD21 LEU 30 HD21 LEU 30 8.918 -1.968 16.900
244 HD22 LEU 30 HD22 LEU 30 10.026 -2.852 17.948
245 HD23 LEU 30 HD23 LEU 30 10.219 -1.113 17.730
246 H LYS 31 H LYS 31 5.357 -1.139 16.581
247 HA LYS 31 HA LYS 31 6.663 -0.867 13.991
248 HB2 LYS 31 HB2 LYS 31 3.993 -2.140 14.618
249 HB3 LYS 31 HB3 LYS 31 4.985 -2.382 13.180
250 HG2 LYS 31 HG2 LYS 31 6.748 -3.411 14.530
251 HG3 LYS 31 HG3 LYS 31 5.823 -3.110 16.002
252 HD2 LYS 31 HD2 LYS 31 4.216 -4.722 15.484
253 HD3 LYS 31 HD3 LYS 31 4.565 -4.658 13.756
254 HE2 LYS 31 HE2 LYS 31 6.805 -5.677 14.223
255 HE3 LYS 31 HE3 LYS 31 6.328 -5.857 15.911
256 HZ1 LYS 31 HZ1 LYS 31 4.741 -7.419 15.392
257 HZ2 LYS 31 HZ2 LYS 31 5.965 -7.801 14.276
258 HZ3 LYS 31 HZ3 LYS 31 4.601 -6.918 13.778
259 H LEU 32 H LEU 32 6.506 1.386 13.651
260 HA LEU 32 HA LEU 32 3.839 2.578 13.505
261 HB2 LEU 32 HB2 LEU 32 6.634 3.681 13.206
262 HB3 LEU 32 HB3 LEU 32 5.195 4.638 12.851
263 HG LEU 32 HG LEU 32 5.323 3.178 15.461
264 HD11 LEU 32 HD11 LEU 32 6.941 5.591 14.675
265 HD12 LEU 32 HD12 LEU 32 7.428 4.197 15.640
266 HD13 LEU 32 HD13 LEU 32 6.356 5.417 16.329
267 HD21 LEU 32 HD21 LEU 32 3.967 5.072 16.182
268 HD22 LEU 32 HD22 LEU 32 3.300 4.437 14.677
269 HD23 LEU 32 HD23 LEU 32 4.270 5.910 14.660
270 H ILE 33 H ILE 33 4.460 0.452 11.665
271 HA ILE 33 HA ILE 33 4.345 1.959 9.122
272 HB ILE 33 HB ILE 33 5.799 -0.575 9.818
273 HG12 ILE 33 HG12 ILE 33 7.015 1.578 9.814
274 HG13 ILE 33 HG13 ILE 33 7.585 0.527 8.519
275 HG21 ILE 33 HG21 ILE 33 4.425 -1.250 7.960
276 HG22 ILE 33 HG22 ILE 33 6.037 -0.918 7.324
277 HG23 ILE 33 HG23 ILE 33 4.744 0.261 7.106
278 HD11 ILE 33 HD11 ILE 33 5.573 1.856 7.242
279 HD12 ILE 33 HD12 ILE 33 7.259 2.371 7.217
280 HD13 ILE 33 HD13 ILE 33 6.132 3.099 8.361
281 H LEU 34 H LEU 34 2.558 1.641 7.949
282 HA LEU 34 HA LEU 34 0.980 -0.811 8.410
283 HB2 LEU 34 HB2 LEU 34 0.007 2.045 8.424
284 HB3 LEU 34 HB3 LEU 34 -1.074 0.682 8.134
285 HG LEU 34 HG LEU 34 0.616 0.153 10.425
286 HD11 LEU 34 HD11 LEU 34 0.660 2.612 10.633
287 HD12 LEU 34 HD12 LEU 34 -0.308 1.889 11.918
288 HD13 LEU 34 HD13 LEU 34 -1.101 2.653 10.540
289 HD21 LEU 34 HD21 LEU 34 -1.484 -0.408 11.435
290 HD22 LEU 34 HD22 LEU 34 -1.627 -0.862 9.737
291 HD23 LEU 34 HD23 LEU 34 -2.373 0.627 10.318
292 H GLN 35 H GLN 35 2.274 -1.293 6.404
293 HA GLN 35 HA GLN 35 1.210 -0.004 3.995
294 HB2 GLN 35 HB2 GLN 35 3.751 -0.817 4.674
295 HB3 GLN 35 HB3 GLN 35 3.181 -2.144 3.662
296 HG2 GLN 35 HG2 GLN 35 4.169 -0.546 2.182
297 HG3 GLN 35 HG3 GLN 35 2.424 -0.394 1.991
298 HE21 GLN 35 HE21 GLN 35 3.577 0.853 4.989
299 HE22 GLN 35 HE22 GLN 35 3.559 2.496 4.561
300 H GLY 36 H GLY 36 0.063 -1.103 2.457
301 HA2 GLY 36 HA2 GLY 36 -0.270 -3.918 2.365
302 HA3 GLY 36 HA3 GLY 36 -1.634 -3.184 3.204
303 H CYS 37 H CYS 37 -1.991 -4.554 0.812
304 HA CYS 37 HA CYS 37 -2.245 -2.495 -1.265
305 HB2 CYS 37 HB2 CYS 37 -3.166 -5.261 -1.787
306 HB3 CYS 37 HB3 CYS 37 -2.201 -4.181 -2.795
307 H SER 38 H SER 38 -4.308 -2.604 -2.581
308 HA SER 38 HA SER 38 -6.715 -3.517 -1.342
309 HB2 SER 38 HB2 SER 38 -6.052 -1.495 0.071
310 HB3 SER 38 HB3 SER 38 -6.377 -0.519 -1.358
311 HG SER 38 HG SER 38 -8.220 -2.380 -0.274
312 H SER 39 H SER 39 -8.630 -2.902 -2.587
313 HA SER 39 HA SER 39 -7.933 -2.483 -5.407
314 HB2 SER 39 HB2 SER 39 -9.273 -4.431 -5.041
315 HB3 SER 39 HB3 SER 39 -10.406 -3.539 -4.029
316 HG SER 39 HG SER 39 -10.719 -2.209 -6.004
317 H SER 40 H SER 40 -9.424 -0.898 -2.736
318 HA SER 40 HA SER 40 -10.155 1.345 -4.505
319 HB2 SER 40 HB2 SER 40 -12.103 -0.200 -3.551
320 HB3 SER 40 HB3 SER 40 -11.865 0.804 -2.124
321 HG SER 40 HG SER 40 -11.833 2.484 -4.069
322 H CYS 41 H CYS 41 -7.786 0.971 -2.926
323 HA CYS 41 HA CYS 41 -7.572 1.949 -0.432
324 HB2 CYS 41 HB2 CYS 41 -5.596 1.493 -1.751
325 HB3 CYS 41 HB3 CYS 41 -5.956 2.842 -2.829
326 H SER 42 H SER 42 -8.155 3.705 0.684
327 HA SER 42 HA SER 42 -9.516 5.872 -0.701
328 HB2 SER 42 HB2 SER 42 -9.750 6.642 1.796
329 HB3 SER 42 HB3 SER 42 -10.699 5.281 1.206
330 HG SER 42 HG SER 42 -9.086 3.902 2.048
331 H GLU 43 H GLU 43 -7.724 6.846 -1.767
332 HA GLU 43 HA GLU 43 -5.337 7.684 -0.618
333 HB2 GLU 43 HB2 GLU 43 -5.850 7.786 -3.043
334 HB3 GLU 43 HB3 GLU 43 -6.933 9.143 -2.735
335 HG2 GLU 43 HG2 GLU 43 -4.883 10.235 -1.575
336 HG3 GLU 43 HG3 GLU 43 -3.938 9.026 -2.444
337 H THR 44 H THR 44 -4.847 9.108 0.911
338 HA THR 44 HA THR 44 -6.343 11.562 1.247
339 HB THR 44 HB THR 44 -6.587 10.928 3.792
340 HG1 THR 44 HG1 THR 44 -5.564 8.851 3.344
341 HG21 THR 44 HG21 THR 44 -8.873 10.400 3.390
342 HG22 THR 44 HG22 THR 44 -8.506 9.676 1.824
343 HG23 THR 44 HG23 THR 44 -8.386 11.423 2.038
344 H GLU 45 H GLU 45 -5.457 12.545 3.524
345 HA GLU 45 HA GLU 45 -2.668 12.963 3.065
346 HB2 GLU 45 HB2 GLU 45 -4.757 14.145 4.662
347 HB3 GLU 45 HB3 GLU 45 -3.318 13.894 5.650
348 HG2 GLU 45 HG2 GLU 45 -1.961 14.992 3.847
349 HG3 GLU 45 HG3 GLU 45 -3.465 15.363 3.004
350 H ASN 46 H ASN 46 -4.545 11.024 5.321
351 HA ASN 46 HA ASN 46 -2.173 10.208 6.805
352 HB2 ASN 46 HB2 ASN 46 -4.826 10.439 7.483
353 HB3 ASN 46 HB3 ASN 46 -4.659 8.703 7.233
354 HD21 ASN 46 HD21 ASN 46 -5.113 9.637 9.844
355 HD22 ASN 46 HD22 ASN 46 -3.700 9.447 10.766
356 H ASN 47 H ASN 47 -4.594 8.761 4.645
357 HA ASN 47 HA ASN 47 -2.749 6.498 4.207
358 HB2 ASN 47 HB2 ASN 47 -5.724 6.675 4.419
359 HB3 ASN 47 HB3 ASN 47 -5.022 5.463 3.355
360 HD21 ASN 47 HD21 ASN 47 -3.879 6.690 6.545
361 HD22 ASN 47 HD22 ASN 47 -3.860 5.162 7.285
362 H LYS 48 H LYS 48 -1.756 6.631 2.308
363 HA LYS 48 HA LYS 48 -3.009 8.138 0.119
364 HB2 LYS 48 HB2 LYS 48 -0.200 7.044 0.390
365 HB3 LYS 48 HB3 LYS 48 -0.787 8.069 -0.922
366 HG2 LYS 48 HG2 LYS 48 -0.702 9.955 0.349
367 HG3 LYS 48 HG3 LYS 48 -1.311 9.126 1.783
368 HD2 LYS 48 HD2 LYS 48 0.986 9.829 2.189
369 HD3 LYS 48 HD3 LYS 48 0.933 8.070 2.075
370 HE2 LYS 48 HE2 LYS 48 1.391 9.564 -0.459
371 HE3 LYS 48 HE3 LYS 48 2.718 9.541 0.703
372 HZ1 LYS 48 HZ1 LYS 48 3.186 7.495 0.049
373 HZ2 LYS 48 HZ2 LYS 48 1.870 7.495 -1.025
374 HZ3 LYS 48 HZ3 LYS 48 1.662 6.967 0.575
375 H CYS 49 H CYS 49 -2.140 7.135 -2.125
376 HA CYS 49 HA CYS 49 -2.448 4.236 -2.227
377 HB2 CYS 49 HB2 CYS 49 -4.356 5.947 -3.817
378 HB3 CYS 49 HB3 CYS 49 -4.401 4.202 -3.570
379 H CYS 50 H CYS 50 -1.227 3.422 -3.817
380 HA CYS 50 HA CYS 50 -0.636 5.063 -6.179
381 HB2 CYS 50 HB2 CYS 50 1.810 4.228 -5.912
382 HB3 CYS 50 HB3 CYS 50 1.281 5.608 -4.950
383 H SER 51 H SER 51 0.084 3.849 -7.996
384 HA SER 51 HA SER 51 -0.073 0.920 -7.752
385 HB2 SER 51 HB2 SER 51 -2.267 1.304 -8.456
386 HB3 SER 51 HB3 SER 51 -1.812 2.687 -9.448
387 HG SER 51 HG SER 51 -2.199 0.888 -10.755
388 H THR 52 H THR 52 2.241 2.460 -8.033
389 HA THR 52 HA THR 52 2.985 2.017 -10.861
390 HB THR 52 HB THR 52 4.743 3.623 -9.091
391 HG1 THR 52 HG1 THR 52 3.337 5.447 -9.562
392 HG21 THR 52 HG21 THR 52 4.911 3.072 -11.648
393 HG22 THR 52 HG22 THR 52 5.279 4.705 -11.089
394 HG23 THR 52 HG23 THR 52 3.710 4.353 -11.814
395 H ASP 53 H ASP 53 2.912 0.087 -8.554
396 HA ASP 53 HA ASP 53 4.197 -1.604 -7.674
397 HB2 ASP 53 HB2 ASP 53 6.195 -1.198 -9.865
398 HB3 ASP 53 HB3 ASP 53 5.561 -2.699 -9.193
399 H ARG 54 H ARG 54 5.515 -1.594 -5.973
400 HA ARG 54 HA ARG 54 7.137 -0.950 -4.480
401 HB2 ARG 54 HB2 ARG 54 8.499 -0.357 -7.106
402 HB3 ARG 54 HB3 ARG 54 9.300 -0.106 -5.554
403 HG2 ARG 54 HG2 ARG 54 8.947 -2.455 -4.957
404 HG3 ARG 54 HG3 ARG 54 8.071 -2.724 -6.464
405 HD2 ARG 54 HD2 ARG 54 10.094 -3.345 -7.284
406 HD3 ARG 54 HD3 ARG 54 10.398 -1.613 -7.385
407 HE ARG 54 HE ARG 54 11.177 -2.151 -4.866
408 HH11 ARG 54 HH21 ARG 54 11.760 -3.730 -7.889
409 HH12 ARG 54 HH22 ARG 54 13.321 -4.327 -7.433
410 HH21 ARG 54 HH11 ARG 54 13.222 -2.929 -4.261
411 HH22 ARG 54 HH12 ARG 54 14.149 -3.871 -5.380
412 H CYS 55 H CYS 55 5.040 0.946 -5.320
413 HA CYS 55 HA CYS 55 6.164 3.569 -5.475
414 HB2 CYS 55 HB2 CYS 55 3.874 4.336 -5.082
415 HB3 CYS 55 HB3 CYS 55 3.883 3.030 -6.267
416 H ASN 56 H ASN 56 4.967 1.530 -2.847
417 HA ASN 56 HA ASN 56 5.484 3.617 -0.871
418 HB2 ASN 56 HB2 ASN 56 4.820 1.501 0.629
419 HB3 ASN 56 HB3 ASN 56 3.611 2.510 -0.163
420 HD21 ASN 56 HD21 ASN 56 5.788 0.007 -1.569
421 HD22 ASN 56 HD22 ASN 56 4.528 -0.945 -2.191
422 H LYS 57 H LYS 57 7.825 3.620 -1.449
423 HA LYS 57 HA LYS 57 9.265 1.415 -0.100
424 HB2 LYS 57 HB2 LYS 57 11.173 1.928 -1.523
425 HB3 LYS 57 HB3 LYS 57 9.752 1.628 -2.525
426 HG2 LYS 57 HG2 LYS 57 9.375 4.158 -2.495
427 HG3 LYS 57 HG3 LYS 57 11.001 4.291 -1.827
428 HD2 LYS 57 HD2 LYS 57 11.719 2.807 -3.830
429 HD3 LYS 57 HD3 LYS 57 10.161 3.251 -4.529
430 HE2 LYS 57 HE2 LYS 57 12.547 4.965 -3.972
431 HE3 LYS 57 HE3 LYS 57 11.459 4.974 -5.360
432 HZ1 LYS 57 HZ1 LYS 57 11.360 6.815 -3.491
433 HZ2 LYS 57 HZ2 LYS 57 10.327 5.678 -2.764
434 HZ3 LYS 57 HZ3 LYS 57 9.969 6.291 -4.307
Start of MODEL 12
1 H1 LEU 1 H1 LEU 1 0.769 -6.270 -10.974
2 H2 LEU 1 H2 LEU 1 2.392 -6.748 -10.822
3 H3 LEU 1 H3 LEU 1 1.962 -5.534 -11.929
4 HA LEU 1 HA LEU 1 2.768 -4.255 -10.235
5 HB2 LEU 1 HB2 LEU 1 0.033 -4.262 -10.624
6 HB3 LEU 1 HB3 LEU 1 0.173 -4.401 -8.870
7 HG LEU 1 HG LEU 1 1.894 -2.481 -9.050
8 HD11 LEU 1 HD11 LEU 1 0.406 -1.855 -11.593
9 HD12 LEU 1 HD12 LEU 1 1.892 -2.805 -11.638
10 HD13 LEU 1 HD13 LEU 1 1.913 -1.161 -10.996
11 HD21 LEU 1 HD21 LEU 1 -0.090 -0.803 -9.366
12 HD22 LEU 1 HD22 LEU 1 -0.138 -1.931 -8.011
13 HD23 LEU 1 HD23 LEU 1 -1.080 -2.260 -9.466
14 H LYS 2 H LYS 2 3.048 -3.882 -7.885
15 HA LYS 2 HA LYS 2 2.460 -5.962 -6.010
16 HB2 LYS 2 HB2 LYS 2 4.708 -6.788 -5.648
17 HB3 LYS 2 HB3 LYS 2 4.276 -7.038 -7.339
18 HG2 LYS 2 HG2 LYS 2 5.417 -4.424 -7.090
19 HG3 LYS 2 HG3 LYS 2 6.490 -5.572 -6.288
20 HD2 LYS 2 HD2 LYS 2 5.356 -6.116 -9.035
21 HD3 LYS 2 HD3 LYS 2 6.854 -5.211 -8.811
22 HE2 LYS 2 HE2 LYS 2 7.884 -7.073 -7.659
23 HE3 LYS 2 HE3 LYS 2 6.362 -7.964 -7.644
24 HZ1 LYS 2 HZ1 LYS 2 7.875 -7.163 -10.071
25 HZ2 LYS 2 HZ2 LYS 2 6.409 -8.020 -10.056
26 HZ3 LYS 2 HZ3 LYS 2 7.815 -8.726 -9.416
27 H CYS 3 H CYS 3 3.303 -5.502 -3.879
28 HA CYS 3 HA CYS 3 4.677 -2.986 -3.442
29 HB2 CYS 3 HB2 CYS 3 2.306 -2.951 -1.791
30 HB3 CYS 3 HB3 CYS 3 2.927 -1.708 -2.878
31 H TYR 4 H TYR 4 4.610 -2.580 -0.899
32 HA TYR 4 HA TYR 4 5.725 -4.986 0.260
33 HB2 TYR 4 HB2 TYR 4 5.510 -2.117 1.139
34 HB3 TYR 4 HB3 TYR 4 6.033 -3.376 2.259
35 HD1 TYR 4 HD2 TYR 4 7.822 -5.074 1.209
36 HD2 TYR 4 HD1 TYR 4 7.161 -1.039 -0.106
37 HE1 TYR 4 HE2 TYR 4 10.087 -5.030 0.208
38 HE2 TYR 4 HE1 TYR 4 9.428 -0.995 -1.108
39 HH TYR 4 HH TYR 4 11.675 -2.302 -0.630
40 H GLN 5 H GLN 5 3.944 -6.342 0.477
41 HA GLN 5 HA GLN 5 1.695 -5.490 2.132
42 HB2 GLN 5 HB2 GLN 5 1.752 -7.118 0.005
43 HB3 GLN 5 HB3 GLN 5 1.986 -8.321 1.274
44 HG2 GLN 5 HG2 GLN 5 -0.004 -6.989 2.427
45 HG3 GLN 5 HG3 GLN 5 -0.362 -6.540 0.760
46 HE21 GLN 5 HE21 GLN 5 -2.304 -7.886 0.700
47 HE22 GLN 5 HE22 GLN 5 -2.200 -9.579 0.664
48 H HIS 6 H HIS 6 4.418 -7.753 2.258
49 HA HIS 6 HA HIS 6 3.925 -8.045 5.161
50 HB2 HIS 6 HB2 HIS 6 4.695 -10.121 3.122
51 HB3 HIS 6 HB3 HIS 6 5.058 -10.337 4.833
52 HD1 HIS 6 HD1 HIS 6 1.927 -8.775 3.347
53 HD2 HIS 6 HD2 HIS 6 3.049 -12.123 5.563
54 HE1 HIS 6 HE1 HIS 6 -0.218 -9.931 4.033
55 H GLY 7 H GLY 7 5.508 -6.004 4.292
56 HA2 GLY 7 HA2 GLY 7 7.565 -5.090 4.835
57 HA3 GLY 7 HA3 GLY 7 8.030 -6.651 5.505
58 H LYS 8 H LYS 8 6.960 -7.495 2.599
59 HA LYS 8 HA LYS 8 9.476 -6.896 1.178
60 HB2 LYS 8 HB2 LYS 8 8.372 -9.541 0.592
61 HB3 LYS 8 HB3 LYS 8 10.033 -9.068 0.949
62 HG2 LYS 8 HG2 LYS 8 9.345 -8.864 3.381
63 HG3 LYS 8 HG3 LYS 8 7.814 -9.618 2.931
64 HD2 LYS 8 HD2 LYS 8 8.999 -11.516 3.493
65 HD3 LYS 8 HD3 LYS 8 9.458 -11.393 1.795
66 HE2 LYS 8 HE2 LYS 8 11.470 -10.067 2.495
67 HE3 LYS 8 HE3 LYS 8 11.041 -10.388 4.175
68 HZ1 LYS 8 HZ1 LYS 8 10.971 -12.810 2.793
69 HZ2 LYS 8 HZ2 LYS 8 12.050 -12.334 4.015
70 HZ3 LYS 8 HZ3 LYS 8 12.427 -12.043 2.384
71 H VAL 9 H VAL 9 9.165 -6.184 -0.847
72 HA VAL 9 HA VAL 9 6.653 -5.583 -1.893
73 HB VAL 9 HB VAL 9 8.071 -5.647 -4.146
74 HG11 VAL 9 HG11 VAL 9 7.511 -3.512 -3.518
75 HG12 VAL 9 HG12 VAL 9 9.213 -3.455 -3.060
76 HG13 VAL 9 HG13 VAL 9 7.982 -3.772 -1.837
77 HG21 VAL 9 HG21 VAL 9 10.359 -5.808 -3.896
78 HG22 VAL 9 HG22 VAL 9 9.873 -6.884 -2.586
79 HG23 VAL 9 HG23 VAL 9 10.325 -5.215 -2.235
80 H VAL 10 H VAL 10 5.179 -7.223 -2.005
81 HA VAL 10 HA VAL 10 5.881 -9.520 -3.733
82 HB VAL 10 HB VAL 10 4.022 -10.707 -2.464
83 HG11 VAL 10 HG11 VAL 10 6.757 -10.096 -1.688
84 HG12 VAL 10 HG12 VAL 10 5.881 -11.623 -1.571
85 HG13 VAL 10 HG13 VAL 10 5.759 -10.435 -0.273
86 HG21 VAL 10 HG21 VAL 10 2.902 -9.630 -0.822
87 HG22 VAL 10 HG22 VAL 10 3.628 -8.141 -1.425
88 HG23 VAL 10 HG23 VAL 10 4.398 -9.025 -0.108
89 H THR 11 H THR 11 4.033 -10.449 -4.924
90 HA THR 11 HA THR 11 2.583 -8.378 -6.290
91 HB THR 11 HB THR 11 2.230 -11.369 -6.546
92 HG1 THR 11 HG1 THR 11 4.336 -9.797 -7.090
93 HG21 THR 11 HG21 THR 11 0.609 -10.652 -7.953
94 HG22 THR 11 HG22 THR 11 1.934 -10.174 -9.015
95 HG23 THR 11 HG23 THR 11 1.205 -8.991 -7.928
96 H CYS 12 H CYS 12 1.082 -7.420 -4.964
97 HA CYS 12 HA CYS 12 -0.560 -8.583 -3.073
98 HB2 CYS 12 HB2 CYS 12 -1.309 -6.341 -4.966
99 HB3 CYS 12 HB3 CYS 12 -2.072 -6.690 -3.415
100 H HIS 13 H HIS 13 -2.717 -9.355 -3.112
101 HA HIS 13 HA HIS 13 -3.395 -11.367 -4.746
102 HB2 HIS 13 HB2 HIS 13 -4.922 -9.510 -3.082
103 HB3 HIS 13 HB3 HIS 13 -5.872 -10.183 -4.407
104 HD1 HIS 13 HD1 HIS 13 -4.871 -10.945 -1.052
105 HD2 HIS 13 HD2 HIS 13 -5.438 -13.214 -4.504
106 HE1 HIS 13 HE1 HIS 13 -5.140 -13.346 -0.294
107 H ARG 14 H ARG 14 -5.030 -11.577 -6.479
108 HA ARG 14 HA ARG 14 -4.308 -10.075 -8.758
109 HB2 ARG 14 HB2 ARG 14 -6.696 -11.189 -9.462
110 HB3 ARG 14 HB3 ARG 14 -5.153 -12.043 -9.499
111 HG2 ARG 14 HG2 ARG 14 -5.540 -13.069 -7.398
112 HG3 ARG 14 HG3 ARG 14 -6.840 -11.945 -6.997
113 HD2 ARG 14 HD2 ARG 14 -8.022 -12.918 -9.100
114 HD3 ARG 14 HD3 ARG 14 -6.874 -14.244 -8.941
115 HE ARG 14 HE ARG 14 -8.071 -13.799 -6.431
116 HH11 ARG 14 HH21 ARG 14 -8.840 -14.859 -9.631
117 HH12 ARG 14 HH22 ARG 14 -10.123 -15.907 -9.125
118 HH21 ARG 14 HH11 ARG 14 -9.752 -15.169 -5.757
119 HH22 ARG 14 HH12 ARG 14 -10.640 -16.082 -6.930
120 H ASP 15 H ASP 15 -7.009 -9.821 -6.500
121 HA ASP 15 HA ASP 15 -8.443 -7.857 -8.014
122 HB2 ASP 15 HB2 ASP 15 -8.683 -9.150 -5.377
123 HB3 ASP 15 HB3 ASP 15 -9.290 -7.496 -5.445
124 H MET 16 H MET 16 -6.090 -7.758 -5.379
125 HA MET 16 HA MET 16 -6.240 -4.955 -4.919
126 HB2 MET 16 HB2 MET 16 -4.178 -7.067 -4.298
127 HB3 MET 16 HB3 MET 16 -3.934 -5.372 -3.883
128 HG2 MET 16 HG2 MET 16 -5.690 -5.354 -2.346
129 HG3 MET 16 HG3 MET 16 -6.496 -6.728 -3.102
130 HE1 MET 16 HE1 MET 16 -6.587 -7.758 -0.209
131 HE2 MET 16 HE2 MET 16 -6.103 -6.065 -0.275
132 HE3 MET 16 HE3 MET 16 -5.159 -7.208 0.678
133 H LYS 17 H LYS 17 -5.880 -3.573 -6.567
134 HA LYS 17 HA LYS 17 -3.434 -3.984 -8.182
135 HB2 LYS 17 HB2 LYS 17 -6.199 -3.354 -8.961
136 HB3 LYS 17 HB3 LYS 17 -4.982 -2.314 -9.701
137 HG2 LYS 17 HG2 LYS 17 -3.960 -4.068 -10.821
138 HG3 LYS 17 HG3 LYS 17 -4.479 -5.266 -9.635
139 HD2 LYS 17 HD2 LYS 17 -5.810 -5.693 -11.557
140 HD3 LYS 17 HD3 LYS 17 -6.869 -4.807 -10.460
141 HE2 LYS 17 HE2 LYS 17 -6.199 -2.688 -11.657
142 HE3 LYS 17 HE3 LYS 17 -5.359 -3.693 -12.838
143 HZ1 LYS 17 HZ1 LYS 17 -7.591 -4.907 -13.012
144 HZ2 LYS 17 HZ2 LYS 17 -7.441 -3.391 -13.765
145 HZ3 LYS 17 HZ3 LYS 17 -8.250 -3.528 -12.277
146 H PHE 18 H PHE 18 -4.282 -2.402 -5.635
147 HA PHE 18 HA PHE 18 -2.811 0.032 -6.382
148 HB2 PHE 18 HB2 PHE 18 -5.321 0.145 -4.713
149 HB3 PHE 18 HB3 PHE 18 -4.389 1.494 -5.359
150 HD1 PHE 18 HD2 PHE 18 -6.545 -1.389 -6.303
151 HD2 PHE 18 HD1 PHE 18 -4.728 2.288 -7.581
152 HE1 PHE 18 HE2 PHE 18 -7.901 -1.439 -8.379
153 HE2 PHE 18 HE1 PHE 18 -6.085 2.237 -9.657
154 HZ PHE 18 HZ PHE 18 -7.671 0.373 -10.056
155 H CYS 19 H CYS 19 -1.302 0.523 -4.928
156 HA CYS 19 HA CYS 19 -1.309 -0.948 -2.383
157 HB2 CYS 19 HB2 CYS 19 1.022 0.664 -3.366
158 HB3 CYS 19 HB3 CYS 19 1.012 -0.787 -2.365
159 H TYR 20 H TYR 20 -1.250 0.112 -0.424
160 HA TYR 20 HA TYR 20 -1.495 3.051 -0.568
161 HB2 TYR 20 HB2 TYR 20 -3.136 2.993 1.181
162 HB3 TYR 20 HB3 TYR 20 -3.639 1.854 -0.066
163 HD1 TYR 20 HD2 TYR 20 -3.424 -0.579 0.279
164 HD2 TYR 20 HD1 TYR 20 -2.359 2.230 3.349
165 HE1 TYR 20 HE2 TYR 20 -3.414 -2.411 1.952
166 HE2 TYR 20 HE1 TYR 20 -2.349 0.400 5.021
167 HH TYR 20 HH TYR 20 -3.726 -2.143 4.968
168 H HIS 21 H HIS 21 -0.574 4.270 1.016
169 HA HIS 21 HA HIS 21 1.303 2.851 2.810
170 HB2 HIS 21 HB2 HIS 21 1.862 5.681 2.388
171 HB3 HIS 21 HB3 HIS 21 2.926 4.290 2.204
172 HD1 HIS 21 HD1 HIS 21 2.181 6.876 0.194
173 HD2 HIS 21 HD2 HIS 21 1.424 2.813 -0.336
174 HE1 HIS 21 HE1 HIS 21 1.889 6.521 -2.296
175 H ASN 22 H ASN 22 -0.307 2.663 4.450
176 HA ASN 22 HA ASN 22 -1.576 5.043 5.490
177 HB2 ASN 22 HB2 ASN 22 -2.827 2.996 5.601
178 HB3 ASN 22 HB3 ASN 22 -1.512 2.177 6.442
179 HD21 ASN 22 HD21 ASN 22 -4.446 3.055 7.211
180 HD22 ASN 22 HD22 ASN 22 -4.228 3.747 8.745
181 H THR 23 H THR 23 -0.891 6.310 7.084
182 HA THR 23 HA THR 23 1.515 5.473 8.585
183 HB THR 23 HB THR 23 1.290 8.207 8.919
184 HG1 THR 23 HG1 THR 23 -0.283 7.690 6.985
185 HG21 THR 23 HG21 THR 23 3.211 8.300 7.383
186 HG22 THR 23 HG22 THR 23 2.817 6.689 6.785
187 HG23 THR 23 HG23 THR 23 3.338 6.906 8.456
188 H GLY 24 H GLY 24 -1.788 6.391 8.776
189 HA2 GLY 24 HA2 GLY 24 -3.217 6.799 10.542
190 HA3 GLY 24 HA3 GLY 24 -2.233 5.599 11.374
191 H MET 25 H MET 25 -1.231 6.247 13.167
192 HA MET 25 HA MET 25 -0.822 9.150 13.561
193 HB2 MET 25 HB2 MET 25 -1.182 7.070 15.724
194 HB3 MET 25 HB3 MET 25 -1.180 8.824 15.910
195 HG2 MET 25 HG2 MET 25 -3.131 8.075 13.924
196 HG3 MET 25 HG3 MET 25 -3.410 7.154 15.401
197 HE1 MET 25 HE1 MET 25 -4.858 7.915 17.109
198 HE2 MET 25 HE2 MET 25 -4.647 9.446 17.956
199 HE3 MET 25 HE3 MET 25 -3.292 8.329 17.820
200 HA PRO 26 HA PRO 26 3.375 7.340 13.677
201 HB2 PRO 26 HB2 PRO 26 4.589 9.314 12.260
202 HB3 PRO 26 HB3 PRO 26 3.711 7.981 11.484
203 HG2 PRO 26 HG2 PRO 26 2.897 10.800 11.890
204 HG3 PRO 26 HG3 PRO 26 2.516 9.688 10.565
205 HD2 PRO 26 HD2 PRO 26 0.804 10.328 12.692
206 HD3 PRO 26 HD3 PRO 26 0.621 8.939 11.601
207 H PHE 27 H PHE 27 1.849 9.579 15.356
208 HA PHE 27 HA PHE 27 4.255 10.911 16.428
209 HB2 PHE 27 HB2 PHE 27 1.337 11.616 16.396
210 HB3 PHE 27 HB3 PHE 27 2.392 12.290 17.639
211 HD1 PHE 27 HD1 PHE 27 4.585 13.421 16.849
212 HD2 PHE 27 HD2 PHE 27 1.271 12.576 14.251
213 HE1 PHE 27 HE1 PHE 27 5.432 15.092 15.225
214 HE2 PHE 27 HE2 PHE 27 2.119 14.246 12.625
215 HZ PHE 27 HZ PHE 27 4.200 15.505 13.112
216 H ARG 28 H ARG 28 2.442 8.233 16.973
217 HA ARG 28 HA ARG 28 2.473 8.450 19.904
218 HB2 ARG 28 HB2 ARG 28 0.525 7.486 18.374
219 HB3 ARG 28 HB3 ARG 28 1.485 6.010 18.498
220 HG2 ARG 28 HG2 ARG 28 1.493 6.286 20.987
221 HG3 ARG 28 HG3 ARG 28 0.404 7.660 20.800
222 HD2 ARG 28 HD2 ARG 28 -0.705 5.547 19.276
223 HD3 ARG 28 HD3 ARG 28 -0.228 4.849 20.822
224 HE ARG 28 HE ARG 28 -2.249 6.924 20.399
225 HH11 ARG 28 HH21 ARG 28 -0.286 5.052 22.547
226 HH12 ARG 28 HH22 ARG 28 -1.278 5.349 23.935
227 HH21 ARG 28 HH11 ARG 28 -3.554 7.321 22.215
228 HH22 ARG 28 HH12 ARG 28 -3.127 6.635 23.748
229 H ASN 29 H ASN 29 3.688 6.394 17.272
230 HA ASN 29 HA ASN 29 5.942 5.623 18.984
231 HB2 ASN 29 HB2 ASN 29 3.915 3.910 18.942
232 HB3 ASN 29 HB3 ASN 29 4.646 3.446 17.407
233 HD21 ASN 29 HD21 ASN 29 4.917 1.388 18.974
234 HD22 ASN 29 HD22 ASN 29 6.407 1.313 19.785
235 H LEU 30 H LEU 30 4.510 6.175 15.900
236 HA LEU 30 HA LEU 30 5.447 6.581 13.842
237 HB2 LEU 30 HB2 LEU 30 7.209 7.728 15.276
238 HB3 LEU 30 HB3 LEU 30 8.149 6.241 15.147
239 HG LEU 30 HG LEU 30 7.131 7.135 12.557
240 HD11 LEU 30 HD11 LEU 30 9.140 8.912 13.969
241 HD12 LEU 30 HD12 LEU 30 7.448 9.344 13.722
242 HD13 LEU 30 HD13 LEU 30 8.510 9.114 12.333
243 HD21 LEU 30 HD21 LEU 30 9.603 6.891 12.041
244 HD22 LEU 30 HD22 LEU 30 8.844 5.449 12.715
245 HD23 LEU 30 HD23 LEU 30 9.843 6.480 13.738
246 H LYS 31 H LYS 31 6.873 3.958 15.731
247 HA LYS 31 HA LYS 31 7.610 2.460 13.354
248 HB2 LYS 31 HB2 LYS 31 8.864 2.442 15.593
249 HB3 LYS 31 HB3 LYS 31 7.564 1.401 16.176
250 HG2 LYS 31 HG2 LYS 31 8.042 0.027 13.997
251 HG3 LYS 31 HG3 LYS 31 9.596 0.860 14.028
252 HD2 LYS 31 HD2 LYS 31 8.422 -0.917 16.181
253 HD3 LYS 31 HD3 LYS 31 9.884 -1.203 15.235
254 HE2 LYS 31 HE2 LYS 31 10.655 1.096 16.247
255 HE3 LYS 31 HE3 LYS 31 9.431 0.755 17.469
256 HZ1 LYS 31 HZ1 LYS 31 11.733 -0.966 16.728
257 HZ2 LYS 31 HZ2 LYS 31 10.495 -1.432 17.792
258 HZ3 LYS 31 HZ3 LYS 31 11.514 -0.133 18.189
259 H LEU 32 H LEU 32 5.053 2.895 12.966
260 HA LEU 32 HA LEU 32 3.762 0.318 13.617
261 HB2 LEU 32 HB2 LEU 32 2.748 3.086 14.023
262 HB3 LEU 32 HB3 LEU 32 1.601 1.889 13.418
263 HG LEU 32 HG LEU 32 3.355 1.433 15.845
264 HD11 LEU 32 HD11 LEU 32 0.469 2.359 15.685
265 HD12 LEU 32 HD12 LEU 32 1.832 3.311 16.274
266 HD13 LEU 32 HD13 LEU 32 1.302 1.885 17.165
267 HD21 LEU 32 HD21 LEU 32 2.618 -0.680 15.517
268 HD22 LEU 32 HD22 LEU 32 1.480 -0.163 14.273
269 HD23 LEU 32 HD23 LEU 32 1.021 -0.092 15.974
270 H ILE 33 H ILE 33 5.256 0.922 11.290
271 HA ILE 33 HA ILE 33 4.052 1.904 9.065
272 HB ILE 33 HB ILE 33 5.720 -0.572 9.447
273 HG12 ILE 33 HG12 ILE 33 6.520 1.914 9.619
274 HG13 ILE 33 HG13 ILE 33 7.474 0.780 8.663
275 HG21 ILE 33 HG21 ILE 33 5.947 -0.370 6.859
276 HG22 ILE 33 HG22 ILE 33 4.400 0.472 6.948
277 HG23 ILE 33 HG23 ILE 33 4.532 -1.193 7.514
278 HD11 ILE 33 HD11 ILE 33 5.266 2.187 7.248
279 HD12 ILE 33 HD12 ILE 33 6.871 1.741 6.666
280 HD13 ILE 33 HD13 ILE 33 6.667 3.161 7.694
281 H LEU 34 H LEU 34 2.224 1.565 7.989
282 HA LEU 34 HA LEU 34 0.836 -1.025 8.334
283 HB2 LEU 34 HB2 LEU 34 -0.233 1.780 8.468
284 HB3 LEU 34 HB3 LEU 34 -1.280 0.450 7.977
285 HG LEU 34 HG LEU 34 0.385 0.011 10.404
286 HD11 LEU 34 HD11 LEU 34 -1.437 1.162 11.766
287 HD12 LEU 34 HD12 LEU 34 -1.952 1.932 10.265
288 HD13 LEU 34 HD13 LEU 34 -0.337 2.241 10.907
289 HD21 LEU 34 HD21 LEU 34 -1.260 -1.516 10.891
290 HD22 LEU 34 HD22 LEU 34 -1.553 -1.404 9.155
291 HD23 LEU 34 HD23 LEU 34 -2.547 -0.477 10.280
292 H GLN 35 H GLN 35 2.468 -1.002 6.297
293 HA GLN 35 HA GLN 35 1.229 0.101 3.911
294 HB2 GLN 35 HB2 GLN 35 3.828 -0.562 4.662
295 HB3 GLN 35 HB3 GLN 35 3.393 -1.784 3.473
296 HG2 GLN 35 HG2 GLN 35 4.265 -0.002 2.183
297 HG3 GLN 35 HG3 GLN 35 2.517 0.179 2.048
298 HE21 GLN 35 HE21 GLN 35 4.914 2.205 2.098
299 HE22 GLN 35 HE22 GLN 35 4.394 3.374 3.213
300 H GLY 36 H GLY 36 0.145 -1.035 2.361
301 HA2 GLY 36 HA2 GLY 36 0.143 -3.875 2.141
302 HA3 GLY 36 HA3 GLY 36 -1.296 -3.325 2.995
303 H CYS 37 H CYS 37 -2.124 -4.476 0.909
304 HA CYS 37 HA CYS 37 -2.376 -2.449 -1.231
305 HB2 CYS 37 HB2 CYS 37 -3.079 -5.245 -1.863
306 HB3 CYS 37 HB3 CYS 37 -2.209 -4.053 -2.827
307 H SER 38 H SER 38 -4.438 -2.620 -2.472
308 HA SER 38 HA SER 38 -6.725 -3.778 -1.134
309 HB2 SER 38 HB2 SER 38 -6.007 -1.384 -0.107
310 HB3 SER 38 HB3 SER 38 -7.027 -0.847 -1.437
311 HG SER 38 HG SER 38 -7.698 -2.711 0.602
312 H SER 39 H SER 39 -8.772 -3.217 -2.301
313 HA SER 39 HA SER 39 -8.215 -3.018 -5.186
314 HB2 SER 39 HB2 SER 39 -10.901 -3.668 -4.854
315 HB3 SER 39 HB3 SER 39 -9.596 -4.789 -5.229
316 HG SER 39 HG SER 39 -9.969 -5.611 -3.341
317 H SER 40 H SER 40 -10.391 -1.758 -2.674
318 HA SER 40 HA SER 40 -11.069 0.487 -4.472
319 HB2 SER 40 HB2 SER 40 -12.819 -1.157 -3.242
320 HB3 SER 40 HB3 SER 40 -12.623 0.057 -1.982
321 HG SER 40 HG SER 40 -13.283 0.527 -4.707
322 H CYS 41 H CYS 41 -8.643 0.745 -3.419
323 HA CYS 41 HA CYS 41 -8.066 1.637 -0.954
324 HB2 CYS 41 HB2 CYS 41 -6.207 2.020 -2.161
325 HB3 CYS 41 HB3 CYS 41 -7.125 2.295 -3.638
326 H SER 42 H SER 42 -7.747 3.945 -0.191
327 HA SER 42 HA SER 42 -9.932 5.747 -0.956
328 HB2 SER 42 HB2 SER 42 -10.896 4.472 0.870
329 HB3 SER 42 HB3 SER 42 -9.457 4.722 1.854
330 HG SER 42 HG SER 42 -9.988 6.801 2.126
331 H GLU 43 H GLU 43 -7.551 6.371 -1.768
332 HA GLU 43 HA GLU 43 -5.495 7.378 -0.449
333 HB2 GLU 43 HB2 GLU 43 -6.239 7.818 -2.904
334 HB3 GLU 43 HB3 GLU 43 -6.927 9.307 -2.255
335 HG2 GLU 43 HG2 GLU 43 -4.317 9.063 -1.158
336 HG3 GLU 43 HG3 GLU 43 -4.180 8.728 -2.884
337 H THR 44 H THR 44 -4.912 9.104 0.853
338 HA THR 44 HA THR 44 -6.744 11.165 1.625
339 HB THR 44 HB THR 44 -6.091 9.624 4.034
340 HG1 THR 44 HG1 THR 44 -6.632 8.030 2.344
341 HG21 THR 44 HG21 THR 44 -7.549 11.619 3.981
342 HG22 THR 44 HG22 THR 44 -8.424 10.200 4.557
343 HG23 THR 44 HG23 THR 44 -8.659 10.771 2.905
344 H GLU 45 H GLU 45 -5.760 12.008 3.973
345 HA GLU 45 HA GLU 45 -3.090 12.863 3.259
346 HB2 GLU 45 HB2 GLU 45 -3.267 14.206 5.362
347 HB3 GLU 45 HB3 GLU 45 -4.590 14.495 4.232
348 HG2 GLU 45 HG2 GLU 45 -6.117 13.761 5.716
349 HG3 GLU 45 HG3 GLU 45 -5.207 12.280 6.004
350 H ASN 46 H ASN 46 -4.579 10.670 5.558
351 HA ASN 46 HA ASN 46 -1.980 10.115 6.805
352 HB2 ASN 46 HB2 ASN 46 -4.541 10.307 7.842
353 HB3 ASN 46 HB3 ASN 46 -4.283 8.568 7.729
354 HD21 ASN 46 HD21 ASN 46 -1.237 9.179 8.034
355 HD22 ASN 46 HD22 ASN 46 -1.054 9.402 9.706
356 H ASN 47 H ASN 47 -4.166 8.953 4.458
357 HA ASN 47 HA ASN 47 -2.617 6.456 4.208
358 HB2 ASN 47 HB2 ASN 47 -4.561 5.510 4.984
359 HB3 ASN 47 HB3 ASN 47 -5.564 6.837 4.403
360 HD21 ASN 47 HD21 ASN 47 -6.992 5.942 2.905
361 HD22 ASN 47 HD22 ASN 47 -6.543 4.887 1.653
362 H LYS 48 H LYS 48 -1.478 6.719 2.387
363 HA LYS 48 HA LYS 48 -2.668 8.196 0.147
364 HB2 LYS 48 HB2 LYS 48 0.143 7.119 0.439
365 HB3 LYS 48 HB3 LYS 48 -0.430 8.272 -0.766
366 HG2 LYS 48 HG2 LYS 48 0.066 9.940 0.668
367 HG3 LYS 48 HG3 LYS 48 -1.192 9.330 1.743
368 HD2 LYS 48 HD2 LYS 48 0.376 7.897 2.886
369 HD3 LYS 48 HD3 LYS 48 1.640 8.258 1.710
370 HE2 LYS 48 HE2 LYS 48 1.870 9.548 3.852
371 HE3 LYS 48 HE3 LYS 48 1.721 10.575 2.425
372 HZ1 LYS 48 HZ1 LYS 48 -0.223 11.377 3.121
373 HZ2 LYS 48 HZ2 LYS 48 0.189 10.751 4.645
374 HZ3 LYS 48 HZ3 LYS 48 -0.803 9.857 3.596
375 H CYS 49 H CYS 49 -2.061 7.262 -2.097
376 HA CYS 49 HA CYS 49 -2.215 4.328 -2.156
377 HB2 CYS 49 HB2 CYS 49 -4.291 6.219 -3.225
378 HB3 CYS 49 HB3 CYS 49 -4.065 4.617 -3.928
379 H CYS 50 H CYS 50 -1.256 3.408 -3.885
380 HA CYS 50 HA CYS 50 -0.412 5.141 -6.113
381 HB2 CYS 50 HB2 CYS 50 1.386 4.638 -4.260
382 HB3 CYS 50 HB3 CYS 50 1.477 3.073 -5.064
383 H SER 51 H SER 51 0.102 3.985 -8.055
384 HA SER 51 HA SER 51 -1.080 1.276 -8.164
385 HB2 SER 51 HB2 SER 51 -2.664 2.446 -9.360
386 HB3 SER 51 HB3 SER 51 -1.517 3.676 -9.883
387 HG SER 51 HG SER 51 -2.084 2.289 -11.596
388 H THR 52 H THR 52 1.745 2.281 -7.886
389 HA THR 52 HA THR 52 2.857 1.073 -10.347
390 HB THR 52 HB THR 52 4.555 2.724 -8.530
391 HG1 THR 52 HG1 THR 52 3.785 4.509 -9.989
392 HG21 THR 52 HG21 THR 52 5.616 3.301 -10.658
393 HG22 THR 52 HG22 THR 52 4.345 2.458 -11.542
394 HG23 THR 52 HG23 THR 52 5.462 1.550 -10.522
395 H ASP 53 H ASP 53 4.868 -0.167 -10.042
396 HA ASP 53 HA ASP 53 4.601 -1.971 -7.795
397 HB2 ASP 53 HB2 ASP 53 7.001 -2.440 -9.291
398 HB3 ASP 53 HB3 ASP 53 5.533 -3.413 -9.231
399 H ARG 54 H ARG 54 5.712 -1.902 -5.941
400 HA ARG 54 HA ARG 54 7.258 -1.292 -4.353
401 HB2 ARG 54 HB2 ARG 54 9.079 -0.364 -6.566
402 HB3 ARG 54 HB3 ARG 54 9.508 -1.056 -5.001
403 HG2 ARG 54 HG2 ARG 54 8.291 -3.178 -5.794
404 HG3 ARG 54 HG3 ARG 54 8.345 -2.465 -7.406
405 HD2 ARG 54 HD2 ARG 54 10.740 -2.402 -7.391
406 HD3 ARG 54 HD3 ARG 54 10.803 -2.798 -5.677
407 HE ARG 54 HE ARG 54 9.466 -4.846 -7.154
408 HH11 ARG 54 HH21 ARG 54 12.554 -3.476 -6.415
409 HH12 ARG 54 HH22 ARG 54 13.422 -4.957 -6.651
410 HH21 ARG 54 HH11 ARG 54 10.592 -6.791 -7.465
411 HH22 ARG 54 HH12 ARG 54 12.310 -6.835 -7.246
412 H CYS 55 H CYS 55 5.254 0.543 -5.264
413 HA CYS 55 HA CYS 55 6.402 3.171 -5.509
414 HB2 CYS 55 HB2 CYS 55 4.085 2.309 -6.323
415 HB3 CYS 55 HB3 CYS 55 3.574 2.620 -4.664
416 H ASN 56 H ASN 56 4.949 1.247 -2.930
417 HA ASN 56 HA ASN 56 5.135 3.372 -0.985
418 HB2 ASN 56 HB2 ASN 56 4.509 1.508 0.611
419 HB3 ASN 56 HB3 ASN 56 3.353 1.815 -0.683
420 HD21 ASN 56 HD21 ASN 56 6.187 0.330 -1.886
421 HD22 ASN 56 HD22 ASN 56 5.603 -1.263 -1.949
422 H LYS 57 H LYS 57 6.185 2.618 1.218
423 HA LYS 57 HA LYS 57 8.463 0.989 1.250
424 HB2 LYS 57 HB2 LYS 57 9.426 2.529 -0.371
425 HB3 LYS 57 HB3 LYS 57 9.045 3.903 0.669
426 HG2 LYS 57 HG2 LYS 57 11.430 3.165 0.859
427 HG3 LYS 57 HG3 LYS 57 10.558 3.082 2.391
428 HD2 LYS 57 HD2 LYS 57 10.372 0.736 2.302
429 HD3 LYS 57 HD3 LYS 57 10.694 0.685 0.570
430 HE2 LYS 57 HE2 LYS 57 13.015 1.700 1.228
431 HE3 LYS 57 HE3 LYS 57 12.626 1.097 2.839
432 HZ1 LYS 57 HZ1 LYS 57 12.930 -1.007 2.207
433 HZ2 LYS 57 HZ2 LYS 57 13.764 -0.356 0.877
434 HZ3 LYS 57 HZ3 LYS 57 12.130 -0.795 0.727
Start of MODEL 13
1 H1 LEU 1 H1 LEU 1 2.434 -6.891 -11.158
2 H2 LEU 1 H2 LEU 1 3.568 -6.240 -10.073
3 H3 LEU 1 H3 LEU 1 2.859 -5.252 -11.261
4 HA LEU 1 HA LEU 1 1.472 -4.631 -9.638
5 HB2 LEU 1 HB2 LEU 1 0.394 -7.433 -10.079
6 HB3 LEU 1 HB3 LEU 1 -0.518 -6.034 -9.511
7 HG LEU 1 HG LEU 1 0.949 -5.876 -12.127
8 HD11 LEU 1 HD11 LEU 1 -0.266 -7.819 -12.604
9 HD12 LEU 1 HD12 LEU 1 -1.400 -6.555 -13.081
10 HD13 LEU 1 HD13 LEU 1 -1.592 -7.371 -11.530
11 HD21 LEU 1 HD21 LEU 1 -0.106 -3.874 -11.055
12 HD22 LEU 1 HD22 LEU 1 -1.665 -4.694 -11.135
13 HD23 LEU 1 HD23 LEU 1 -0.818 -4.265 -12.621
14 H LYS 2 H LYS 2 2.712 -4.419 -7.774
15 HA LYS 2 HA LYS 2 2.079 -6.195 -5.628
16 HB2 LYS 2 HB2 LYS 2 4.453 -6.838 -5.122
17 HB3 LYS 2 HB3 LYS 2 3.787 -7.613 -6.559
18 HG2 LYS 2 HG2 LYS 2 5.342 -5.031 -6.736
19 HG3 LYS 2 HG3 LYS 2 6.152 -6.598 -6.754
20 HD2 LYS 2 HD2 LYS 2 4.302 -7.116 -8.614
21 HD3 LYS 2 HD3 LYS 2 4.364 -5.363 -8.804
22 HE2 LYS 2 HE2 LYS 2 7.026 -5.969 -8.671
23 HE3 LYS 2 HE3 LYS 2 6.391 -7.402 -9.478
24 HZ1 LYS 2 HZ1 LYS 2 6.137 -4.576 -10.324
25 HZ2 LYS 2 HZ2 LYS 2 5.187 -5.819 -10.986
26 HZ3 LYS 2 HZ3 LYS 2 6.877 -5.854 -11.160
27 H CYS 3 H CYS 3 3.742 -5.605 -3.707
28 HA CYS 3 HA CYS 3 4.810 -2.975 -3.671
29 HB2 CYS 3 HB2 CYS 3 2.732 -2.593 -1.808
30 HB3 CYS 3 HB3 CYS 3 2.969 -1.740 -3.331
31 H TYR 4 H TYR 4 5.027 -2.236 -1.247
32 HA TYR 4 HA TYR 4 6.285 -4.433 0.141
33 HB2 TYR 4 HB2 TYR 4 6.021 -1.481 0.656
34 HB3 TYR 4 HB3 TYR 4 6.680 -2.562 1.882
35 HD1 TYR 4 HD2 TYR 4 8.385 -4.403 0.748
36 HD2 TYR 4 HD1 TYR 4 7.611 -0.422 -0.666
37 HE1 TYR 4 HE2 TYR 4 10.566 -4.396 -0.421
38 HE2 TYR 4 HE1 TYR 4 9.798 -0.414 -1.835
39 HH TYR 4 HH TYR 4 11.392 -2.128 -2.761
40 H GLN 5 H GLN 5 4.514 -5.775 0.611
41 HA GLN 5 HA GLN 5 2.398 -4.748 2.338
42 HB2 GLN 5 HB2 GLN 5 2.290 -6.573 0.386
43 HB3 GLN 5 HB3 GLN 5 2.630 -7.651 1.741
44 HG2 GLN 5 HG2 GLN 5 0.737 -6.239 2.930
45 HG3 GLN 5 HG3 GLN 5 0.249 -5.895 1.272
46 HE21 GLN 5 HE21 GLN 5 0.174 -8.280 3.777
47 HE22 GLN 5 HE22 GLN 5 -0.525 -9.526 2.862
48 H HIS 6 H HIS 6 5.046 -7.120 2.491
49 HA HIS 6 HA HIS 6 4.806 -7.026 5.437
50 HB2 HIS 6 HB2 HIS 6 4.533 -9.279 3.738
51 HB3 HIS 6 HB3 HIS 6 6.081 -9.449 4.567
52 HD1 HIS 6 HD1 HIS 6 2.387 -9.022 5.278
53 HD2 HIS 6 HD2 HIS 6 5.886 -10.015 7.314
54 HE1 HIS 6 HE1 HIS 6 1.678 -9.806 7.578
55 H GLY 7 H GLY 7 6.424 -5.289 3.860
56 HA2 GLY 7 HA2 GLY 7 8.536 -4.378 4.309
57 HA3 GLY 7 HA3 GLY 7 9.018 -5.906 5.040
58 H LYS 8 H LYS 8 7.631 -6.892 2.300
59 HA LYS 8 HA LYS 8 9.976 -6.419 0.580
60 HB2 LYS 8 HB2 LYS 8 8.877 -9.156 0.487
61 HB3 LYS 8 HB3 LYS 8 10.551 -8.606 0.405
62 HG2 LYS 8 HG2 LYS 8 10.488 -8.150 2.854
63 HG3 LYS 8 HG3 LYS 8 8.852 -8.810 2.908
64 HD2 LYS 8 HD2 LYS 8 10.026 -10.725 3.428
65 HD3 LYS 8 HD3 LYS 8 10.047 -10.857 1.669
66 HE2 LYS 8 HE2 LYS 8 12.303 -11.193 2.696
67 HE3 LYS 8 HE3 LYS 8 12.255 -9.836 1.572
68 HZ1 LYS 8 HZ1 LYS 8 13.226 -9.661 4.037
69 HZ2 LYS 8 HZ2 LYS 8 11.612 -9.222 4.336
70 HZ3 LYS 8 HZ3 LYS 8 12.540 -8.347 3.214
71 H VAL 9 H VAL 9 9.372 -5.809 -1.390
72 HA VAL 9 HA VAL 9 6.824 -5.351 -2.267
73 HB VAL 9 HB VAL 9 9.055 -6.291 -4.082
74 HG11 VAL 9 HG11 VAL 9 7.894 -5.267 -5.791
75 HG12 VAL 9 HG12 VAL 9 7.155 -4.078 -4.718
76 HG13 VAL 9 HG13 VAL 9 6.529 -5.725 -4.771
77 HG21 VAL 9 HG21 VAL 9 8.579 -3.644 -2.695
78 HG22 VAL 9 HG22 VAL 9 9.556 -3.776 -4.157
79 HG23 VAL 9 HG23 VAL 9 10.046 -4.624 -2.691
80 H VAL 10 H VAL 10 5.294 -6.904 -1.886
81 HA VAL 10 HA VAL 10 5.644 -9.463 -3.335
82 HB VAL 10 HB VAL 10 4.069 -10.408 -1.595
83 HG11 VAL 10 HG11 VAL 10 6.872 -9.503 -1.175
84 HG12 VAL 10 HG12 VAL 10 6.200 -11.133 -1.146
85 HG13 VAL 10 HG13 VAL 10 6.011 -10.077 0.253
86 HG21 VAL 10 HG21 VAL 10 4.002 -9.105 0.555
87 HG22 VAL 10 HG22 VAL 10 3.115 -8.335 -0.760
88 HG23 VAL 10 HG23 VAL 10 4.711 -7.739 -0.303
89 H THR 11 H THR 11 3.803 -10.361 -4.334
90 HA THR 11 HA THR 11 1.960 -8.396 -5.377
91 HB THR 11 HB THR 11 1.884 -11.385 -5.803
92 HG1 THR 11 HG1 THR 11 3.205 -10.863 -7.639
93 HG21 THR 11 HG21 THR 11 0.501 -9.045 -6.887
94 HG22 THR 11 HG22 THR 11 0.080 -10.753 -7.006
95 HG23 THR 11 HG23 THR 11 1.232 -10.048 -8.139
96 H CYS 12 H CYS 12 0.362 -7.734 -4.077
97 HA CYS 12 HA CYS 12 -0.743 -9.147 -1.928
98 HB2 CYS 12 HB2 CYS 12 -1.407 -6.709 -3.445
99 HB3 CYS 12 HB3 CYS 12 -2.771 -7.475 -2.630
100 H HIS 13 H HIS 13 -3.471 -9.059 -2.175
101 HA HIS 13 HA HIS 13 -4.143 -11.552 -3.173
102 HB2 HIS 13 HB2 HIS 13 -5.728 -9.091 -2.526
103 HB3 HIS 13 HB3 HIS 13 -6.526 -10.485 -3.248
104 HD1 HIS 13 HD1 HIS 13 -3.672 -10.685 -0.768
105 HD2 HIS 13 HD2 HIS 13 -7.765 -11.467 -0.929
106 HE1 HIS 13 HE1 HIS 13 -4.258 -11.887 1.383
107 H ARG 14 H ARG 14 -5.964 -11.833 -4.874
108 HA ARG 14 HA ARG 14 -4.897 -10.860 -7.409
109 HB2 ARG 14 HB2 ARG 14 -5.807 -13.289 -6.691
110 HB3 ARG 14 HB3 ARG 14 -7.301 -12.603 -7.329
111 HG2 ARG 14 HG2 ARG 14 -6.250 -12.118 -9.452
112 HG3 ARG 14 HG3 ARG 14 -4.666 -12.575 -8.825
113 HD2 ARG 14 HD2 ARG 14 -5.350 -14.878 -8.584
114 HD3 ARG 14 HD3 ARG 14 -7.021 -14.474 -8.969
115 HE ARG 14 HE ARG 14 -6.442 -14.595 -11.205
116 HH11 ARG 14 HH21 ARG 14 -3.643 -14.041 -9.250
117 HH12 ARG 14 HH22 ARG 14 -2.528 -14.138 -10.573
118 HH21 ARG 14 HH11 ARG 14 -4.989 -14.725 -12.946
119 HH22 ARG 14 HH12 ARG 14 -3.291 -14.525 -12.667
120 H ASP 15 H ASP 15 -6.957 -9.594 -5.238
121 HA ASP 15 HA ASP 15 -8.797 -8.527 -7.292
122 HB2 ASP 15 HB2 ASP 15 -9.209 -8.480 -4.299
123 HB3 ASP 15 HB3 ASP 15 -10.395 -8.133 -5.556
124 H MET 16 H MET 16 -6.359 -7.747 -4.957
125 HA MET 16 HA MET 16 -6.966 -4.908 -4.964
126 HB2 MET 16 HB2 MET 16 -4.794 -6.578 -3.697
127 HB3 MET 16 HB3 MET 16 -4.845 -4.820 -3.583
128 HG2 MET 16 HG2 MET 16 -7.169 -5.004 -2.658
129 HG3 MET 16 HG3 MET 16 -6.972 -6.755 -2.637
130 HE1 MET 16 HE1 MET 16 -7.800 -6.563 -0.583
131 HE2 MET 16 HE2 MET 16 -7.285 -5.487 0.713
132 HE3 MET 16 HE3 MET 16 -6.646 -7.127 0.633
133 H LYS 17 H LYS 17 -6.235 -3.531 -6.428
134 HA LYS 17 HA LYS 17 -3.870 -4.298 -8.033
135 HB2 LYS 17 HB2 LYS 17 -6.207 -2.559 -8.859
136 HB3 LYS 17 HB3 LYS 17 -4.830 -2.998 -9.870
137 HG2 LYS 17 HG2 LYS 17 -5.452 -5.423 -9.497
138 HG3 LYS 17 HG3 LYS 17 -6.938 -4.851 -8.738
139 HD2 LYS 17 HD2 LYS 17 -7.599 -3.706 -10.782
140 HD3 LYS 17 HD3 LYS 17 -6.067 -4.127 -11.550
141 HE2 LYS 17 HE2 LYS 17 -7.716 -5.704 -12.328
142 HE3 LYS 17 HE3 LYS 17 -6.661 -6.557 -11.200
143 HZ1 LYS 17 HZ1 LYS 17 -8.376 -6.967 -9.885
144 HZ2 LYS 17 HZ2 LYS 17 -9.409 -6.298 -11.056
145 HZ3 LYS 17 HZ3 LYS 17 -8.790 -5.324 -9.809
146 H PHE 18 H PHE 18 -5.017 -2.182 -5.712
147 HA PHE 18 HA PHE 18 -3.061 -0.099 -6.491
148 HB2 PHE 18 HB2 PHE 18 -5.462 0.228 -4.683
149 HB3 PHE 18 HB3 PHE 18 -4.394 1.502 -5.270
150 HD1 PHE 18 HD1 PHE 18 -6.990 -0.950 -6.244
151 HD2 PHE 18 HD2 PHE 18 -4.566 2.358 -7.520
152 HE1 PHE 18 HE1 PHE 18 -8.380 -0.719 -8.284
153 HE2 PHE 18 HE2 PHE 18 -5.957 2.589 -9.561
154 HZ PHE 18 HZ PHE 18 -7.864 1.050 -9.943
155 H CYS 19 H CYS 19 -1.467 0.408 -5.116
156 HA CYS 19 HA CYS 19 -1.351 -1.087 -2.574
157 HB2 CYS 19 HB2 CYS 19 0.907 0.234 -4.102
158 HB3 CYS 19 HB3 CYS 19 1.062 -0.816 -2.695
159 H TYR 20 H TYR 20 -0.772 0.034 -0.644
160 HA TYR 20 HA TYR 20 -0.633 2.954 -0.848
161 HB2 TYR 20 HB2 TYR 20 -2.385 3.300 0.783
162 HB3 TYR 20 HB3 TYR 20 -3.030 2.330 -0.539
163 HD1 TYR 20 HD1 TYR 20 -1.572 2.119 2.883
164 HD2 TYR 20 HD2 TYR 20 -3.899 0.158 -0.148
165 HE1 TYR 20 HE1 TYR 20 -2.166 0.333 4.494
166 HE2 TYR 20 HE2 TYR 20 -4.493 -1.627 1.466
167 HH TYR 20 HH TYR 20 -4.252 -1.373 4.664
168 H HIS 21 H HIS 21 0.025 4.005 1.129
169 HA HIS 21 HA HIS 21 1.529 2.235 2.961
170 HB2 HIS 21 HB2 HIS 21 2.786 3.744 1.168
171 HB3 HIS 21 HB3 HIS 21 2.509 4.993 2.379
172 HD1 HIS 21 HD1 HIS 21 5.095 2.867 1.487
173 HD2 HIS 21 HD2 HIS 21 3.198 3.542 5.137
174 HE1 HIS 21 HE1 HIS 21 6.704 2.094 3.284
175 H ASN 22 H ASN 22 -0.196 2.343 4.474
176 HA ASN 22 HA ASN 22 -1.355 4.777 5.351
177 HB2 ASN 22 HB2 ASN 22 -1.378 1.954 6.191
178 HB3 ASN 22 HB3 ASN 22 -1.633 3.109 7.498
179 HD21 ASN 22 HD21 ASN 22 -2.704 2.892 4.046
180 HD22 ASN 22 HD22 ASN 22 -4.333 3.221 4.390
181 H THR 23 H THR 23 -0.810 6.183 6.938
182 HA THR 23 HA THR 23 1.789 5.734 8.276
183 HB THR 23 HB THR 23 1.700 8.290 8.535
184 HG1 THR 23 HG1 THR 23 -0.543 8.388 7.932
185 HG21 THR 23 HG21 THR 23 2.561 8.619 6.241
186 HG22 THR 23 HG22 THR 23 1.893 7.055 5.774
187 HG23 THR 23 HG23 THR 23 3.195 7.137 6.960
188 H GLY 24 H GLY 24 -1.590 6.271 8.720
189 HA2 GLY 24 HA2 GLY 24 -2.908 6.365 10.607
190 HA3 GLY 24 HA3 GLY 24 -1.554 5.629 11.462
191 H MET 25 H MET 25 -2.452 7.097 13.199
192 HA MET 25 HA MET 25 -2.353 9.873 13.115
193 HB2 MET 25 HB2 MET 25 -1.675 8.070 15.452
194 HB3 MET 25 HB3 MET 25 -2.100 9.779 15.559
195 HG2 MET 25 HG2 MET 25 -4.289 9.242 14.453
196 HG3 MET 25 HG3 MET 25 -3.867 7.532 14.550
197 HE1 MET 25 HE1 MET 25 -6.237 8.431 15.264
198 HE2 MET 25 HE2 MET 25 -6.614 9.168 16.821
199 HE3 MET 25 HE3 MET 25 -6.492 7.415 16.690
200 HA PRO 26 HA PRO 26 1.969 10.723 12.735
201 HB2 PRO 26 HB2 PRO 26 2.003 13.292 13.659
202 HB3 PRO 26 HB3 PRO 26 1.356 12.841 12.070
203 HG2 PRO 26 HG2 PRO 26 -0.085 13.446 14.600
204 HG3 PRO 26 HG3 PRO 26 -0.511 13.855 12.929
205 HD2 PRO 26 HD2 PRO 26 -1.654 11.772 14.320
206 HD3 PRO 26 HD3 PRO 26 -1.521 11.820 12.548
207 H PHE 27 H PHE 27 3.308 9.664 14.109
208 HA PHE 27 HA PHE 27 3.559 10.712 16.857
209 HB2 PHE 27 HB2 PHE 27 3.016 7.936 15.971
210 HB3 PHE 27 HB3 PHE 27 4.228 8.126 17.239
211 HD1 PHE 27 HD2 PHE 27 0.719 8.944 16.295
212 HD2 PHE 27 HD1 PHE 27 3.613 8.720 19.461
213 HE1 PHE 27 HE2 PHE 27 -1.078 9.311 17.964
214 HE2 PHE 27 HE1 PHE 27 1.816 9.087 21.130
215 HZ PHE 27 HZ PHE 27 -0.529 9.382 20.382
216 H ARG 28 H ARG 28 5.668 9.451 17.806
217 HA ARG 28 HA ARG 28 7.787 9.789 15.767
218 HB2 ARG 28 HB2 ARG 28 8.211 10.436 18.672
219 HB3 ARG 28 HB3 ARG 28 9.129 10.982 17.267
220 HG2 ARG 28 HG2 ARG 28 6.559 11.883 16.733
221 HG3 ARG 28 HG3 ARG 28 6.724 12.132 18.472
222 HD2 ARG 28 HD2 ARG 28 8.721 13.441 18.172
223 HD3 ARG 28 HD3 ARG 28 8.807 13.023 16.463
224 HE ARG 28 HE ARG 28 7.233 14.678 16.038
225 HH11 ARG 28 HH21 ARG 28 7.317 13.864 19.400
226 HH12 ARG 28 HH22 ARG 28 6.242 15.136 19.877
227 HH21 ARG 28 HH11 ARG 28 5.821 16.348 16.655
228 HH22 ARG 28 HH12 ARG 28 5.395 16.542 18.323
229 H ASN 29 H ASN 29 6.267 7.602 17.670
230 HA ASN 29 HA ASN 29 8.296 6.186 18.983
231 HB2 ASN 29 HB2 ASN 29 6.773 4.377 19.108
232 HB3 ASN 29 HB3 ASN 29 5.767 5.824 19.110
233 HD21 ASN 29 HD21 ASN 29 4.426 3.615 18.289
234 HD22 ASN 29 HD22 ASN 29 4.246 3.581 16.602
235 H LEU 30 H LEU 30 7.670 6.574 15.635
236 HA LEU 30 HA LEU 30 8.646 5.700 13.747
237 HB2 LEU 30 HB2 LEU 30 10.668 6.304 15.366
238 HB3 LEU 30 HB3 LEU 30 10.887 4.554 15.346
239 HG LEU 30 HG LEU 30 10.605 4.834 12.745
240 HD11 LEU 30 HD11 LEU 30 11.279 6.954 11.870
241 HD12 LEU 30 HD12 LEU 30 11.733 7.548 13.467
242 HD13 LEU 30 HD13 LEU 30 10.032 7.303 13.068
243 HD21 LEU 30 HD21 LEU 30 13.046 5.123 12.550
244 HD22 LEU 30 HD22 LEU 30 12.655 4.064 13.903
245 HD23 LEU 30 HD23 LEU 30 13.112 5.740 14.201
246 H LYS 31 H LYS 31 6.726 4.073 15.012
247 HA LYS 31 HA LYS 31 7.544 1.478 13.972
248 HB2 LYS 31 HB2 LYS 31 7.382 2.053 16.825
249 HB3 LYS 31 HB3 LYS 31 6.296 0.748 16.353
250 HG2 LYS 31 HG2 LYS 31 9.119 0.769 15.326
251 HG3 LYS 31 HG3 LYS 31 8.787 0.189 16.958
252 HD2 LYS 31 HD2 LYS 31 6.964 -0.854 14.879
253 HD3 LYS 31 HD3 LYS 31 8.641 -1.378 14.724
254 HE2 LYS 31 HE2 LYS 31 7.296 -1.479 17.409
255 HE3 LYS 31 HE3 LYS 31 7.001 -2.761 16.234
256 HZ1 LYS 31 HZ1 LYS 31 9.027 -2.814 17.920
257 HZ2 LYS 31 HZ2 LYS 31 9.774 -1.968 16.650
258 HZ3 LYS 31 HZ3 LYS 31 9.113 -3.507 16.375
259 H LEU 32 H LEU 32 5.835 2.964 12.666
260 HA LEU 32 HA LEU 32 3.212 1.744 13.248
261 HB2 LEU 32 HB2 LEU 32 3.753 4.630 12.527
262 HB3 LEU 32 HB3 LEU 32 2.155 3.886 12.457
263 HG LEU 32 HG LEU 32 3.677 3.506 14.983
264 HD11 LEU 32 HD11 LEU 32 2.971 5.741 15.811
265 HD12 LEU 32 HD12 LEU 32 2.439 6.159 14.182
266 HD13 LEU 32 HD13 LEU 32 4.148 5.866 14.504
267 HD21 LEU 32 HD21 LEU 32 0.882 4.519 14.852
268 HD22 LEU 32 HD22 LEU 32 1.568 3.241 15.854
269 HD23 LEU 32 HD23 LEU 32 1.165 2.918 14.167
270 H ILE 33 H ILE 33 3.805 0.203 11.615
271 HA ILE 33 HA ILE 33 3.769 1.306 8.873
272 HB ILE 33 HB ILE 33 5.848 0.100 9.439
273 HG12 ILE 33 HG12 ILE 33 5.251 -1.879 7.648
274 HG13 ILE 33 HG13 ILE 33 3.938 -0.744 7.342
275 HG21 ILE 33 HG21 ILE 33 4.420 -2.506 9.530
276 HG22 ILE 33 HG22 ILE 33 4.300 -1.501 10.974
277 HG23 ILE 33 HG23 ILE 33 5.882 -1.993 10.372
278 HD11 ILE 33 HD11 ILE 33 5.491 1.054 6.921
279 HD12 ILE 33 HD12 ILE 33 6.002 -0.329 5.952
280 HD13 ILE 33 HD13 ILE 33 6.853 0.065 7.446
281 H LEU 34 H LEU 34 1.686 1.239 8.248
282 HA LEU 34 HA LEU 34 0.239 -1.320 8.579
283 HB2 LEU 34 HB2 LEU 34 -0.634 1.509 8.856
284 HB3 LEU 34 HB3 LEU 34 -1.767 0.395 8.088
285 HG LEU 34 HG LEU 34 -1.420 -1.169 10.042
286 HD11 LEU 34 HD11 LEU 34 -0.609 0.341 12.106
287 HD12 LEU 34 HD12 LEU 34 0.329 1.116 10.829
288 HD13 LEU 34 HD13 LEU 34 0.523 -0.608 11.144
289 HD21 LEU 34 HD21 LEU 34 -2.949 0.028 11.483
290 HD22 LEU 34 HD22 LEU 34 -3.346 0.460 9.819
291 HD23 LEU 34 HD23 LEU 34 -2.430 1.581 10.827
292 H GLN 35 H GLN 35 2.097 -0.225 6.456
293 HA GLN 35 HA GLN 35 0.704 0.447 4.125
294 HB2 GLN 35 HB2 GLN 35 2.696 -0.172 2.930
295 HB3 GLN 35 HB3 GLN 35 3.200 0.541 4.464
296 HG2 GLN 35 HG2 GLN 35 3.411 -1.737 5.427
297 HG3 GLN 35 HG3 GLN 35 2.977 -2.421 3.862
298 HE21 GLN 35 HE21 GLN 35 5.288 -3.405 4.263
299 HE22 GLN 35 HE22 GLN 35 6.594 -2.500 3.665
300 H GLY 36 H GLY 36 -0.389 -0.673 2.631
301 HA2 GLY 36 HA2 GLY 36 -0.154 -3.499 2.251
302 HA3 GLY 36 HA3 GLY 36 -1.626 -3.086 3.126
303 H CYS 37 H CYS 37 -2.233 -4.228 0.884
304 HA CYS 37 HA CYS 37 -2.612 -2.104 -1.131
305 HB2 CYS 37 HB2 CYS 37 -3.201 -4.939 -1.790
306 HB3 CYS 37 HB3 CYS 37 -2.492 -3.675 -2.791
307 H SER 38 H SER 38 -4.663 -2.332 -2.411
308 HA SER 38 HA SER 38 -6.936 -3.520 -1.067
309 HB2 SER 38 HB2 SER 38 -6.257 -1.060 -0.128
310 HB3 SER 38 HB3 SER 38 -7.341 -0.620 -1.444
311 HG SER 38 HG SER 38 -8.758 -1.026 0.099
312 H SER 39 H SER 39 -8.960 -3.160 -2.279
313 HA SER 39 HA SER 39 -8.408 -3.067 -5.150
314 HB2 SER 39 HB2 SER 39 -11.177 -3.516 -4.560
315 HB3 SER 39 HB3 SER 39 -10.003 -4.633 -5.252
316 HG SER 39 HG SER 39 -11.105 -4.772 -2.897
317 H SER 40 H SER 40 -10.000 -1.240 -2.647
318 HA SER 40 HA SER 40 -10.644 0.841 -4.638
319 HB2 SER 40 HB2 SER 40 -12.414 0.397 -2.258
320 HB3 SER 40 HB3 SER 40 -12.779 1.205 -3.779
321 HG SER 40 HG SER 40 -12.017 -1.419 -4.045
322 H CYS 41 H CYS 41 -8.342 0.535 -2.905
323 HA CYS 41 HA CYS 41 -8.111 1.716 -0.541
324 HB2 CYS 41 HB2 CYS 41 -6.232 1.201 -2.167
325 HB3 CYS 41 HB3 CYS 41 -6.511 2.795 -2.864
326 H SER 42 H SER 42 -8.851 3.462 0.469
327 HA SER 42 HA SER 42 -10.063 5.613 -1.108
328 HB2 SER 42 HB2 SER 42 -10.974 4.357 1.096
329 HB3 SER 42 HB3 SER 42 -10.117 5.696 1.857
330 HG SER 42 HG SER 42 -12.280 5.726 0.055
331 H GLU 43 H GLU 43 -7.973 6.435 -1.831
332 HA GLU 43 HA GLU 43 -5.784 7.254 -0.549
333 HB2 GLU 43 HB2 GLU 43 -7.459 8.964 -2.400
334 HB3 GLU 43 HB3 GLU 43 -5.801 9.345 -1.930
335 HG2 GLU 43 HG2 GLU 43 -6.248 6.589 -2.922
336 HG3 GLU 43 HG3 GLU 43 -6.428 7.870 -4.120
337 H THR 44 H THR 44 -5.113 8.746 0.939
338 HA THR 44 HA THR 44 -6.859 10.823 1.920
339 HB THR 44 HB THR 44 -6.144 9.300 4.253
340 HG1 THR 44 HG1 THR 44 -6.345 7.609 2.577
341 HG21 THR 44 HG21 THR 44 -7.894 10.923 4.326
342 HG22 THR 44 HG22 THR 44 -8.682 9.355 4.501
343 HG23 THR 44 HG23 THR 44 -8.721 10.193 2.950
344 H GLU 45 H GLU 45 -5.788 11.854 3.950
345 HA GLU 45 HA GLU 45 -3.081 12.489 3.232
346 HB2 GLU 45 HB2 GLU 45 -4.395 14.269 4.120
347 HB3 GLU 45 HB3 GLU 45 -4.860 13.315 5.529
348 HG2 GLU 45 HG2 GLU 45 -1.957 13.873 4.975
349 HG3 GLU 45 HG3 GLU 45 -2.953 15.085 5.780
350 H ASN 46 H ASN 46 -4.621 10.331 5.475
351 HA ASN 46 HA ASN 46 -2.093 9.819 6.878
352 HB2 ASN 46 HB2 ASN 46 -4.692 9.960 7.782
353 HB3 ASN 46 HB3 ASN 46 -4.432 8.224 7.633
354 HD21 ASN 46 HD21 ASN 46 -1.937 10.667 8.421
355 HD22 ASN 46 HD22 ASN 46 -1.610 10.059 9.972
356 H ASN 47 H ASN 47 -3.928 8.705 4.283
357 HA ASN 47 HA ASN 47 -2.285 6.290 4.093
358 HB2 ASN 47 HB2 ASN 47 -4.208 5.318 5.062
359 HB3 ASN 47 HB3 ASN 47 -5.298 6.341 4.126
360 HD21 ASN 47 HD21 ASN 47 -6.089 3.902 3.711
361 HD22 ASN 47 HD22 ASN 47 -5.448 3.181 2.314
362 H LYS 48 H LYS 48 -1.274 6.527 2.216
363 HA LYS 48 HA LYS 48 -2.723 7.813 -0.020
364 HB2 LYS 48 HB2 LYS 48 0.241 7.288 0.064
365 HB3 LYS 48 HB3 LYS 48 -0.640 8.457 -0.916
366 HG2 LYS 48 HG2 LYS 48 0.035 9.921 0.706
367 HG3 LYS 48 HG3 LYS 48 -1.375 9.290 1.554
368 HD2 LYS 48 HD2 LYS 48 -0.083 7.886 2.924
369 HD3 LYS 48 HD3 LYS 48 1.295 7.919 1.825
370 HE2 LYS 48 HE2 LYS 48 1.791 9.306 3.766
371 HE3 LYS 48 HE3 LYS 48 1.611 10.335 2.345
372 HZ1 LYS 48 HZ1 LYS 48 -0.738 10.667 3.025
373 HZ2 LYS 48 HZ2 LYS 48 0.393 11.306 4.120
374 HZ3 LYS 48 HZ3 LYS 48 -0.400 9.845 4.470
375 H CYS 49 H CYS 49 -3.051 6.770 -1.929
376 HA CYS 49 HA CYS 49 -2.163 3.948 -2.073
377 HB2 CYS 49 HB2 CYS 49 -4.472 4.994 -3.665
378 HB3 CYS 49 HB3 CYS 49 -4.172 3.364 -3.065
379 H CYS 50 H CYS 50 -0.849 3.393 -3.673
380 HA CYS 50 HA CYS 50 -0.424 5.296 -5.886
381 HB2 CYS 50 HB2 CYS 50 1.504 4.612 -4.341
382 HB3 CYS 50 HB3 CYS 50 1.407 3.027 -5.109
383 H SER 51 H SER 51 0.308 4.149 -7.964
384 HA SER 51 HA SER 51 -1.273 1.689 -8.381
385 HB2 SER 51 HB2 SER 51 -2.617 2.805 -9.788
386 HB3 SER 51 HB3 SER 51 -1.684 4.281 -9.556
387 HG SER 51 HG SER 51 -0.576 3.869 -11.326
388 H THR 52 H THR 52 1.649 2.331 -7.956
389 HA THR 52 HA THR 52 2.661 1.047 -10.421
390 HB THR 52 HB THR 52 4.557 2.606 -8.774
391 HG1 THR 52 HG1 THR 52 3.158 4.156 -10.547
392 HG21 THR 52 HG21 THR 52 5.442 3.175 -10.958
393 HG22 THR 52 HG22 THR 52 3.993 2.556 -11.750
394 HG23 THR 52 HG23 THR 52 5.096 1.447 -10.936
395 H ASP 53 H ASP 53 5.173 0.398 -9.623
396 HA ASP 53 HA ASP 53 4.649 -1.713 -7.670
397 HB2 ASP 53 HB2 ASP 53 7.279 -1.334 -9.056
398 HB3 ASP 53 HB3 ASP 53 6.488 -2.827 -8.554
399 H ARG 54 H ARG 54 6.028 -2.092 -5.860
400 HA ARG 54 HA ARG 54 6.823 -1.219 -3.847
401 HB2 ARG 54 HB2 ARG 54 9.125 0.074 -5.002
402 HB3 ARG 54 HB3 ARG 54 9.039 -1.444 -4.110
403 HG2 ARG 54 HG2 ARG 54 8.329 -2.597 -6.200
404 HG3 ARG 54 HG3 ARG 54 8.527 -1.080 -7.077
405 HD2 ARG 54 HD2 ARG 54 10.598 -2.905 -5.958
406 HD3 ARG 54 HD3 ARG 54 10.614 -1.969 -7.449
407 HE ARG 54 HE ARG 54 10.779 -0.013 -5.634
408 HH11 ARG 54 HH21 ARG 54 12.358 -3.087 -5.840
409 HH12 ARG 54 HH22 ARG 54 13.799 -2.555 -5.038
410 HH21 ARG 54 HH11 ARG 54 12.667 0.689 -4.580
411 HH22 ARG 54 HH12 ARG 54 13.974 -0.418 -4.327
412 H CYS 55 H CYS 55 5.068 0.623 -5.430
413 HA CYS 55 HA CYS 55 6.178 3.226 -4.592
414 HB2 CYS 55 HB2 CYS 55 5.538 3.218 -6.907
415 HB3 CYS 55 HB3 CYS 55 3.966 2.512 -6.525
416 H ASN 56 H ASN 56 4.359 0.881 -3.286
417 HA ASN 56 HA ASN 56 1.962 1.635 -2.415
418 HB2 ASN 56 HB2 ASN 56 2.686 0.925 -0.051
419 HB3 ASN 56 HB3 ASN 56 2.895 -0.251 -1.347
420 HD21 ASN 56 HD21 ASN 56 4.471 0.677 1.311
421 HD22 ASN 56 HD22 ASN 56 6.082 0.589 0.785
422 H LYS 57 H LYS 57 4.951 3.306 -1.647
423 HA LYS 57 HA LYS 57 4.456 4.944 0.416
424 HB2 LYS 57 HB2 LYS 57 5.489 5.826 -2.289
425 HB3 LYS 57 HB3 LYS 57 5.649 6.757 -0.799
426 HG2 LYS 57 HG2 LYS 57 6.552 3.924 -0.697
427 HG3 LYS 57 HG3 LYS 57 7.547 5.036 -1.639
428 HD2 LYS 57 HD2 LYS 57 7.657 6.565 0.313
429 HD3 LYS 57 HD3 LYS 57 6.713 5.410 1.254
430 HE2 LYS 57 HE2 LYS 57 8.600 4.301 1.769
431 HE3 LYS 57 HE3 LYS 57 8.869 3.977 0.056
432 HZ1 LYS 57 HZ1 LYS 57 10.455 5.500 1.629
433 HZ2 LYS 57 HZ2 LYS 57 9.511 6.668 0.832
434 HZ3 LYS 57 HZ3 LYS 57 10.423 5.550 -0.067
Start of MODEL 14
1 H1 LEU 1 H1 LEU 1 1.649 -7.233 -10.344
2 H2 LEU 1 H2 LEU 1 2.920 -7.183 -11.471
3 H3 LEU 1 H3 LEU 1 1.632 -6.080 -11.588
4 HA LEU 1 HA LEU 1 3.962 -5.484 -10.468
5 HB2 LEU 1 HB2 LEU 1 2.716 -3.660 -9.309
6 HB3 LEU 1 HB3 LEU 1 2.185 -3.885 -10.976
7 HG LEU 1 HG LEU 1 0.610 -5.648 -9.442
8 HD11 LEU 1 HD11 LEU 1 -0.415 -4.130 -7.784
9 HD12 LEU 1 HD12 LEU 1 0.775 -2.891 -8.185
10 HD13 LEU 1 HD13 LEU 1 1.291 -4.398 -7.428
11 HD21 LEU 1 HD21 LEU 1 0.080 -2.938 -10.693
12 HD22 LEU 1 HD22 LEU 1 -1.199 -3.974 -10.058
13 HD23 LEU 1 HD23 LEU 1 -0.209 -4.525 -11.409
14 H LYS 2 H LYS 2 3.543 -4.450 -7.897
15 HA LYS 2 HA LYS 2 2.693 -6.419 -6.028
16 HB2 LYS 2 HB2 LYS 2 5.022 -6.916 -5.139
17 HB3 LYS 2 HB3 LYS 2 4.600 -7.702 -6.660
18 HG2 LYS 2 HG2 LYS 2 5.708 -5.110 -7.226
19 HG3 LYS 2 HG3 LYS 2 6.802 -5.981 -6.151
20 HD2 LYS 2 HD2 LYS 2 6.519 -7.981 -7.726
21 HD3 LYS 2 HD3 LYS 2 5.771 -6.853 -8.856
22 HE2 LYS 2 HE2 LYS 2 7.805 -5.445 -8.786
23 HE3 LYS 2 HE3 LYS 2 8.555 -6.595 -7.680
24 HZ1 LYS 2 HZ1 LYS 2 7.615 -8.077 -9.810
25 HZ2 LYS 2 HZ2 LYS 2 9.234 -7.710 -9.451
26 HZ3 LYS 2 HZ3 LYS 2 8.346 -6.713 -10.501
27 H CYS 3 H CYS 3 3.958 -5.899 -3.802
28 HA CYS 3 HA CYS 3 4.840 -3.233 -3.400
29 HB2 CYS 3 HB2 CYS 3 2.159 -3.268 -3.835
30 HB3 CYS 3 HB3 CYS 3 2.210 -3.484 -2.085
31 H TYR 4 H TYR 4 4.755 -2.676 -0.976
32 HA TYR 4 HA TYR 4 5.792 -4.948 0.460
33 HB2 TYR 4 HB2 TYR 4 5.450 -2.030 1.127
34 HB3 TYR 4 HB3 TYR 4 6.019 -3.202 2.317
35 HD1 TYR 4 HD1 TYR 4 7.846 -4.924 1.222
36 HD2 TYR 4 HD2 TYR 4 7.123 -0.869 0.003
37 HE1 TYR 4 HE1 TYR 4 10.117 -4.815 0.245
38 HE2 TYR 4 HE2 TYR 4 9.400 -0.758 -0.973
39 HH TYR 4 HH TYR 4 11.720 -3.368 -0.523
40 H GLN 5 H GLN 5 4.047 -6.318 0.722
41 HA GLN 5 HA GLN 5 1.749 -5.350 2.276
42 HB2 GLN 5 HB2 GLN 5 1.635 -6.880 0.153
43 HB3 GLN 5 HB3 GLN 5 2.041 -8.167 1.288
44 HG2 GLN 5 HG2 GLN 5 0.123 -7.509 2.708
45 HG3 GLN 5 HG3 GLN 5 -0.296 -6.252 1.544
46 HE21 GLN 5 HE21 GLN 5 0.956 -8.887 -0.154
47 HE22 GLN 5 HE22 GLN 5 -0.509 -9.643 -0.560
48 H HIS 6 H HIS 6 4.586 -7.358 2.520
49 HA HIS 6 HA HIS 6 4.018 -7.746 5.380
50 HB2 HIS 6 HB2 HIS 6 4.886 -9.912 3.453
51 HB3 HIS 6 HB3 HIS 6 4.893 -10.078 5.209
52 HD1 HIS 6 HD1 HIS 6 2.297 -8.941 6.091
53 HD2 HIS 6 HD2 HIS 6 2.593 -11.185 2.591
54 HE1 HIS 6 HE1 HIS 6 -0.032 -9.806 5.596
55 H GLY 7 H GLY 7 5.673 -5.794 4.335
56 HA2 GLY 7 HA2 GLY 7 7.761 -4.922 4.835
57 HA3 GLY 7 HA3 GLY 7 8.173 -6.457 5.595
58 H LYS 8 H LYS 8 6.969 -7.146 2.598
59 HA LYS 8 HA LYS 8 9.506 -6.791 1.168
60 HB2 LYS 8 HB2 LYS 8 8.500 -9.447 0.672
61 HB3 LYS 8 HB3 LYS 8 10.096 -8.953 1.235
62 HG2 LYS 8 HG2 LYS 8 9.308 -8.857 3.537
63 HG3 LYS 8 HG3 LYS 8 7.658 -9.204 3.019
64 HD2 LYS 8 HD2 LYS 8 9.850 -11.111 2.274
65 HD3 LYS 8 HD3 LYS 8 9.192 -11.155 3.909
66 HE2 LYS 8 HE2 LYS 8 7.104 -10.991 1.867
67 HE3 LYS 8 HE3 LYS 8 8.104 -12.433 1.699
68 HZ1 LYS 8 HZ1 LYS 8 7.741 -12.869 4.076
69 HZ2 LYS 8 HZ2 LYS 8 6.293 -12.879 3.186
70 HZ3 LYS 8 HZ3 LYS 8 6.690 -11.539 4.152
71 H VAL 9 H VAL 9 9.125 -6.130 -0.851
72 HA VAL 9 HA VAL 9 6.620 -5.618 -1.905
73 HB VAL 9 HB VAL 9 7.875 -5.665 -4.153
74 HG11 VAL 9 HG11 VAL 9 8.039 -3.488 -3.613
75 HG12 VAL 9 HG12 VAL 9 9.529 -3.842 -2.738
76 HG13 VAL 9 HG13 VAL 9 7.980 -3.887 -1.896
77 HG21 VAL 9 HG21 VAL 9 10.236 -6.003 -2.285
78 HG22 VAL 9 HG22 VAL 9 10.282 -5.853 -4.041
79 HG23 VAL 9 HG23 VAL 9 9.602 -7.301 -3.298
80 H VAL 10 H VAL 10 5.171 -7.303 -1.773
81 HA VAL 10 HA VAL 10 5.817 -9.724 -3.347
82 HB VAL 10 HB VAL 10 4.113 -10.873 -1.995
83 HG11 VAL 10 HG11 VAL 10 6.578 -9.687 -0.979
84 HG12 VAL 10 HG12 VAL 10 5.955 -11.323 -0.767
85 HG13 VAL 10 HG13 VAL 10 5.433 -10.034 0.317
86 HG21 VAL 10 HG21 VAL 10 3.462 -9.457 0.142
87 HG22 VAL 10 HG22 VAL 10 2.533 -9.286 -1.347
88 HG23 VAL 10 HG23 VAL 10 3.758 -8.088 -0.930
89 H THR 11 H THR 11 4.163 -10.616 -4.685
90 HA THR 11 HA THR 11 2.632 -8.614 -6.064
91 HB THR 11 HB THR 11 2.933 -11.597 -6.383
92 HG1 THR 11 HG1 THR 11 4.419 -10.947 -7.687
93 HG21 THR 11 HG21 THR 11 0.846 -11.537 -7.289
94 HG22 THR 11 HG22 THR 11 1.663 -10.771 -8.652
95 HG23 THR 11 HG23 THR 11 0.857 -9.779 -7.436
96 H CYS 12 H CYS 12 1.165 -7.862 -4.451
97 HA CYS 12 HA CYS 12 -0.529 -9.254 -2.826
98 HB2 CYS 12 HB2 CYS 12 -1.454 -6.920 -4.516
99 HB3 CYS 12 HB3 CYS 12 -2.037 -7.389 -2.919
100 H HIS 13 H HIS 13 -2.983 -9.561 -3.188
101 HA HIS 13 HA HIS 13 -3.347 -11.582 -5.118
102 HB2 HIS 13 HB2 HIS 13 -4.696 -11.025 -2.934
103 HB3 HIS 13 HB3 HIS 13 -5.687 -10.062 -4.031
104 HD1 HIS 13 HD1 HIS 13 -7.484 -11.322 -5.216
105 HD2 HIS 13 HD2 HIS 13 -4.396 -13.842 -3.994
106 HE1 HIS 13 HE1 HIS 13 -8.186 -13.672 -5.845
107 H ARG 14 H ARG 14 -5.088 -11.563 -6.798
108 HA ARG 14 HA ARG 14 -4.535 -9.587 -8.754
109 HB2 ARG 14 HB2 ARG 14 -5.902 -12.076 -8.630
110 HB3 ARG 14 HB3 ARG 14 -7.028 -10.894 -9.299
111 HG2 ARG 14 HG2 ARG 14 -5.084 -10.161 -10.821
112 HG3 ARG 14 HG3 ARG 14 -4.295 -11.660 -10.330
113 HD2 ARG 14 HD2 ARG 14 -6.989 -12.290 -11.018
114 HD3 ARG 14 HD3 ARG 14 -6.329 -11.292 -12.310
115 HE ARG 14 HE ARG 14 -4.423 -13.255 -11.644
116 HH11 ARG 14 HH21 ARG 14 -7.585 -12.924 -13.006
117 HH12 ARG 14 HH22 ARG 14 -7.446 -14.321 -14.019
118 HH21 ARG 14 HH11 ARG 14 -4.232 -15.090 -12.971
119 HH22 ARG 14 HH12 ARG 14 -5.547 -15.548 -14.000
120 H ASP 15 H ASP 15 -6.966 -9.895 -6.273
121 HA ASP 15 HA ASP 15 -8.853 -8.041 -7.270
122 HB2 ASP 15 HB2 ASP 15 -8.456 -9.573 -4.884
123 HB3 ASP 15 HB3 ASP 15 -8.807 -7.906 -4.428
124 H MET 16 H MET 16 -5.968 -7.663 -5.243
125 HA MET 16 HA MET 16 -6.364 -4.858 -4.795
126 HB2 MET 16 HB2 MET 16 -4.010 -6.710 -4.413
127 HB3 MET 16 HB3 MET 16 -3.947 -4.991 -4.034
128 HG2 MET 16 HG2 MET 16 -5.190 -5.238 -2.154
129 HG3 MET 16 HG3 MET 16 -6.307 -6.357 -2.935
130 HE1 MET 16 HE1 MET 16 -6.098 -7.434 -0.231
131 HE2 MET 16 HE2 MET 16 -5.668 -9.091 -0.646
132 HE3 MET 16 HE3 MET 16 -6.730 -8.171 -1.709
133 H LYS 17 H LYS 17 -6.208 -3.401 -6.383
134 HA LYS 17 HA LYS 17 -4.062 -3.756 -8.388
135 HB2 LYS 17 HB2 LYS 17 -6.917 -3.225 -8.727
136 HB3 LYS 17 HB3 LYS 17 -5.900 -2.038 -9.547
137 HG2 LYS 17 HG2 LYS 17 -4.586 -3.988 -10.511
138 HG3 LYS 17 HG3 LYS 17 -5.849 -5.047 -9.881
139 HD2 LYS 17 HD2 LYS 17 -7.526 -3.997 -11.248
140 HD3 LYS 17 HD3 LYS 17 -6.418 -2.706 -11.715
141 HE2 LYS 17 HE2 LYS 17 -5.653 -3.941 -13.433
142 HE3 LYS 17 HE3 LYS 17 -5.213 -5.246 -12.331
143 HZ1 LYS 17 HZ1 LYS 17 -7.900 -5.452 -12.458
144 HZ2 LYS 17 HZ2 LYS 17 -6.808 -6.378 -13.373
145 HZ3 LYS 17 HZ3 LYS 17 -7.513 -4.985 -14.042
146 H PHE 18 H PHE 18 -4.382 -2.299 -5.706
147 HA PHE 18 HA PHE 18 -3.006 0.125 -6.547
148 HB2 PHE 18 HB2 PHE 18 -5.457 0.320 -4.789
149 HB3 PHE 18 HB3 PHE 18 -4.466 1.647 -5.391
150 HD1 PHE 18 HD1 PHE 18 -4.542 2.314 -7.755
151 HD2 PHE 18 HD2 PHE 18 -7.019 -0.851 -6.242
152 HE1 PHE 18 HE1 PHE 18 -5.921 2.408 -9.815
153 HE2 PHE 18 HE2 PHE 18 -8.398 -0.758 -8.300
154 HZ PHE 18 HZ PHE 18 -7.849 0.872 -10.087
155 H CYS 19 H CYS 19 -1.462 0.669 -5.125
156 HA CYS 19 HA CYS 19 -1.312 -0.879 -2.631
157 HB2 CYS 19 HB2 CYS 19 0.616 -0.883 -4.269
158 HB3 CYS 19 HB3 CYS 19 0.847 0.821 -3.886
159 H TYR 20 H TYR 20 -0.810 0.203 -0.641
160 HA TYR 20 HA TYR 20 -1.157 3.113 -0.707
161 HB2 TYR 20 HB2 TYR 20 -2.893 3.124 0.930
162 HB3 TYR 20 HB3 TYR 20 -3.389 2.028 -0.352
163 HD1 TYR 20 HD1 TYR 20 -3.385 -0.409 -0.004
164 HD2 TYR 20 HD2 TYR 20 -2.274 2.306 3.134
165 HE1 TYR 20 HE1 TYR 20 -3.621 -2.233 1.659
166 HE2 TYR 20 HE2 TYR 20 -2.506 0.480 4.795
167 HH TYR 20 HH TYR 20 -3.725 -1.670 4.999
168 H HIS 21 H HIS 21 -0.260 4.235 0.956
169 HA HIS 21 HA HIS 21 1.458 2.680 2.798
170 HB2 HIS 21 HB2 HIS 21 2.737 4.014 1.174
171 HB3 HIS 21 HB3 HIS 21 1.880 5.466 1.685
172 HD1 HIS 21 HD1 HIS 21 2.721 6.648 3.753
173 HD2 HIS 21 HD2 HIS 21 4.423 2.869 3.293
174 HE1 HIS 21 HE1 HIS 21 4.524 6.455 5.521
175 H ASN 22 H ASN 22 0.018 2.552 4.513
176 HA ASN 22 HA ASN 22 -1.233 4.994 5.495
177 HB2 ASN 22 HB2 ASN 22 -2.581 2.971 5.479
178 HB3 ASN 22 HB3 ASN 22 -1.384 2.136 6.468
179 HD21 ASN 22 HD21 ASN 22 -2.575 1.860 8.409
180 HD22 ASN 22 HD22 ASN 22 -3.214 3.151 9.306
181 H THR 23 H THR 23 -0.534 6.178 7.145
182 HA THR 23 HA THR 23 1.916 5.335 8.520
183 HB THR 23 HB THR 23 1.555 7.815 9.433
184 HG1 THR 23 HG1 THR 23 0.672 8.904 7.431
185 HG21 THR 23 HG21 THR 23 2.575 6.935 6.728
186 HG22 THR 23 HG22 THR 23 3.505 7.246 8.193
187 HG23 THR 23 HG23 THR 23 2.769 8.586 7.315
188 H GLY 24 H GLY 24 -1.466 6.046 9.085
189 HA2 GLY 24 HA2 GLY 24 -2.818 5.721 10.919
190 HA3 GLY 24 HA3 GLY 24 -1.601 4.582 11.487
191 H MET 25 H MET 25 -3.179 6.504 13.034
192 HA MET 25 HA MET 25 -1.003 7.645 14.565
193 HB2 MET 25 HB2 MET 25 -1.605 9.332 12.716
194 HB3 MET 25 HB3 MET 25 -3.118 9.560 13.591
195 HG2 MET 25 HG2 MET 25 -1.360 9.750 15.646
196 HG3 MET 25 HG3 MET 25 -0.364 10.378 14.332
197 HE1 MET 25 HE1 MET 25 -0.510 13.296 14.142
198 HE2 MET 25 HE2 MET 25 -0.028 12.243 15.470
199 HE3 MET 25 HE3 MET 25 -1.106 13.602 15.780
200 HA PRO 26 HA PRO 26 -5.034 6.465 16.720
201 HB2 PRO 26 HB2 PRO 26 -4.133 4.202 17.965
202 HB3 PRO 26 HB3 PRO 26 -4.889 4.197 16.361
203 HG2 PRO 26 HG2 PRO 26 -2.016 4.032 17.101
204 HG3 PRO 26 HG3 PRO 26 -2.897 3.218 15.798
205 HD2 PRO 26 HD2 PRO 26 -1.301 5.429 15.407
206 HD3 PRO 26 HD3 PRO 26 -2.663 4.997 14.350
207 H PHE 27 H PHE 27 -2.361 5.060 18.529
208 HA PHE 27 HA PHE 27 -2.945 6.438 20.912
209 HB2 PHE 27 HB2 PHE 27 -0.663 4.784 19.925
210 HB3 PHE 27 HB3 PHE 27 -0.432 5.738 21.391
211 HD1 PHE 27 HD1 PHE 27 -1.972 5.416 23.347
212 HD2 PHE 27 HD2 PHE 27 -2.056 2.839 19.910
213 HE1 PHE 27 HE1 PHE 27 -3.233 3.723 24.648
214 HE2 PHE 27 HE2 PHE 27 -3.318 1.146 21.212
215 HZ PHE 27 HZ PHE 27 -3.906 1.587 23.580
216 H ARG 28 H ARG 28 0.341 6.716 19.794
217 HA ARG 28 HA ARG 28 0.070 9.662 19.838
218 HB2 ARG 28 HB2 ARG 28 2.391 7.942 20.744
219 HB3 ARG 28 HB3 ARG 28 2.419 9.704 20.655
220 HG2 ARG 28 HG2 ARG 28 0.195 9.455 22.099
221 HG3 ARG 28 HG3 ARG 28 0.947 7.924 22.552
222 HD2 ARG 28 HD2 ARG 28 2.950 9.073 23.305
223 HD3 ARG 28 HD3 ARG 28 2.328 10.615 22.722
224 HE ARG 28 HE ARG 28 1.432 9.169 25.113
225 HH11 ARG 28 HH21 ARG 28 1.110 11.799 22.887
226 HH12 ARG 28 HH22 ARG 28 0.163 12.774 23.961
227 HH21 ARG 28 HH11 ARG 28 0.189 10.441 26.527
228 HH22 ARG 28 HH12 ARG 28 -0.359 12.005 26.022
229 H ASN 29 H ASN 29 2.233 10.602 18.781
230 HA ASN 29 HA ASN 29 2.062 10.308 16.054
231 HB2 ASN 29 HB2 ASN 29 3.368 12.053 17.399
232 HB3 ASN 29 HB3 ASN 29 4.686 10.882 17.423
233 HD21 ASN 29 HD21 ASN 29 3.192 13.341 15.540
234 HD22 ASN 29 HD22 ASN 29 4.037 13.056 14.096
235 H LEU 30 H LEU 30 4.839 9.025 17.892
236 HA LEU 30 HA LEU 30 6.281 7.294 17.369
237 HB2 LEU 30 HB2 LEU 30 3.530 6.267 17.542
238 HB3 LEU 30 HB3 LEU 30 4.646 5.206 16.681
239 HG LEU 30 HG LEU 30 4.545 4.817 19.179
240 HD11 LEU 30 HD11 LEU 30 7.319 5.652 18.870
241 HD12 LEU 30 HD12 LEU 30 6.722 4.843 17.422
242 HD13 LEU 30 HD13 LEU 30 6.650 4.024 18.982
243 HD21 LEU 30 HD21 LEU 30 4.574 7.525 19.371
244 HD22 LEU 30 HD22 LEU 30 6.290 7.185 19.598
245 HD23 LEU 30 HD23 LEU 30 5.098 6.462 20.677
246 H LYS 31 H LYS 31 6.211 5.206 15.625
247 HA LYS 31 HA LYS 31 5.851 6.428 12.959
248 HB2 LYS 31 HB2 LYS 31 8.249 6.536 13.721
249 HB3 LYS 31 HB3 LYS 31 8.248 4.772 13.763
250 HG2 LYS 31 HG2 LYS 31 7.380 4.923 11.322
251 HG3 LYS 31 HG3 LYS 31 7.939 6.595 11.379
252 HD2 LYS 31 HD2 LYS 31 9.818 4.448 12.295
253 HD3 LYS 31 HD3 LYS 31 9.553 4.644 10.563
254 HE2 LYS 31 HE2 LYS 31 10.066 7.106 12.176
255 HE3 LYS 31 HE3 LYS 31 11.431 6.040 11.843
256 HZ1 LYS 31 HZ1 LYS 31 10.185 6.188 9.452
257 HZ2 LYS 31 HZ2 LYS 31 11.532 7.116 9.910
258 HZ3 LYS 31 HZ3 LYS 31 9.966 7.757 10.059
259 H LEU 32 H LEU 32 3.885 4.872 13.724
260 HA LEU 32 HA LEU 32 4.377 2.067 13.239
261 HB2 LEU 32 HB2 LEU 32 2.051 3.755 13.975
262 HB3 LEU 32 HB3 LEU 32 1.689 2.274 13.091
263 HG LEU 32 HG LEU 32 3.200 1.072 14.776
264 HD11 LEU 32 HD11 LEU 32 3.760 2.162 16.802
265 HD12 LEU 32 HD12 LEU 32 2.661 3.505 16.482
266 HD13 LEU 32 HD13 LEU 32 4.153 3.345 15.554
267 HD21 LEU 32 HD21 LEU 32 0.588 1.298 14.739
268 HD22 LEU 32 HD22 LEU 32 0.837 2.348 16.134
269 HD23 LEU 32 HD23 LEU 32 1.373 0.669 16.188
270 H ILE 33 H ILE 33 4.451 1.100 11.318
271 HA ILE 33 HA ILE 33 3.412 2.567 8.979
272 HB ILE 33 HB ILE 33 5.909 1.633 9.313
273 HG12 ILE 33 HG12 ILE 33 4.348 1.544 6.715
274 HG13 ILE 33 HG13 ILE 33 5.048 2.996 7.433
275 HG21 ILE 33 HG21 ILE 33 4.480 -0.599 7.847
276 HG22 ILE 33 HG22 ILE 33 5.043 -0.720 9.514
277 HG23 ILE 33 HG23 ILE 33 6.203 -0.497 8.206
278 HD11 ILE 33 HD11 ILE 33 6.406 0.706 6.085
279 HD12 ILE 33 HD12 ILE 33 7.246 1.470 7.433
280 HD13 ILE 33 HD13 ILE 33 6.783 2.427 6.027
281 H LEU 34 H LEU 34 1.668 1.819 7.970
282 HA LEU 34 HA LEU 34 0.919 -1.012 8.377
283 HB2 LEU 34 HB2 LEU 34 -0.655 1.474 8.735
284 HB3 LEU 34 HB3 LEU 34 -1.478 0.147 7.914
285 HG LEU 34 HG LEU 34 -0.705 -1.359 9.808
286 HD11 LEU 34 HD11 LEU 34 0.366 1.276 10.680
287 HD12 LEU 34 HD12 LEU 34 0.987 -0.347 10.982
288 HD13 LEU 34 HD13 LEU 34 -0.365 0.270 11.931
289 HD21 LEU 34 HD21 LEU 34 -2.433 0.961 10.713
290 HD22 LEU 34 HD22 LEU 34 -2.522 -0.718 11.246
291 HD23 LEU 34 HD23 LEU 34 -3.005 -0.287 9.606
292 H GLN 35 H GLN 35 2.494 -0.521 6.291
293 HA GLN 35 HA GLN 35 1.121 0.289 3.924
294 HB2 GLN 35 HB2 GLN 35 3.134 -1.163 2.924
295 HB3 GLN 35 HB3 GLN 35 3.373 0.460 3.574
296 HG2 GLN 35 HG2 GLN 35 4.928 -1.476 4.393
297 HG3 GLN 35 HG3 GLN 35 4.291 -0.329 5.571
298 HE21 GLN 35 HE21 GLN 35 3.575 -3.555 4.140
299 HE22 GLN 35 HE22 GLN 35 2.809 -4.160 5.529
300 H GLY 36 H GLY 36 0.102 -0.887 2.381
301 HA2 GLY 36 HA2 GLY 36 0.133 -3.730 2.207
302 HA3 GLY 36 HA3 GLY 36 -1.323 -3.178 3.030
303 H CYS 37 H CYS 37 -1.866 -4.458 0.792
304 HA CYS 37 HA CYS 37 -2.138 -2.430 -1.335
305 HB2 CYS 37 HB2 CYS 37 -2.988 -5.119 -2.058
306 HB3 CYS 37 HB3 CYS 37 -1.792 -4.077 -2.828
307 H SER 38 H SER 38 -4.190 -2.513 -2.588
308 HA SER 38 HA SER 38 -6.534 -3.653 -1.413
309 HB2 SER 38 HB2 SER 38 -6.139 -1.826 0.201
310 HB3 SER 38 HB3 SER 38 -6.165 -0.662 -1.120
311 HG SER 38 HG SER 38 -8.288 -1.081 -1.448
312 H SER 39 H SER 39 -8.235 -3.624 -2.825
313 HA SER 39 HA SER 39 -7.688 -2.820 -5.532
314 HB2 SER 39 HB2 SER 39 -10.440 -3.587 -4.723
315 HB3 SER 39 HB3 SER 39 -9.476 -4.124 -6.094
316 HG SER 39 HG SER 39 -8.240 -4.906 -3.892
317 H SER 40 H SER 40 -8.901 -1.243 -2.817
318 HA SER 40 HA SER 40 -9.734 1.033 -4.434
319 HB2 SER 40 HB2 SER 40 -11.891 0.226 -4.308
320 HB3 SER 40 HB3 SER 40 -11.603 -0.616 -2.788
321 HG SER 40 HG SER 40 -12.904 1.349 -2.667
322 H CYS 41 H CYS 41 -7.495 1.096 -3.087
323 HA CYS 41 HA CYS 41 -7.406 1.598 -0.376
324 HB2 CYS 41 HB2 CYS 41 -5.333 1.536 -1.463
325 HB3 CYS 41 HB3 CYS 41 -5.834 2.698 -2.691
326 H SER 42 H SER 42 -7.458 3.510 0.880
327 HA SER 42 HA SER 42 -9.324 5.532 -0.171
328 HB2 SER 42 HB2 SER 42 -8.887 4.282 2.444
329 HB3 SER 42 HB3 SER 42 -9.057 6.033 2.520
330 HG SER 42 HG SER 42 -10.980 4.334 2.349
331 H GLU 43 H GLU 43 -7.784 6.766 -1.324
332 HA GLU 43 HA GLU 43 -5.348 7.715 -0.300
333 HB2 GLU 43 HB2 GLU 43 -5.859 7.861 -2.669
334 HB3 GLU 43 HB3 GLU 43 -7.210 8.946 -2.342
335 HG2 GLU 43 HG2 GLU 43 -5.700 10.644 -1.473
336 HG3 GLU 43 HG3 GLU 43 -4.326 9.553 -1.642
337 H THR 44 H THR 44 -4.945 9.064 1.322
338 HA THR 44 HA THR 44 -6.656 11.380 1.774
339 HB THR 44 HB THR 44 -6.081 9.924 4.272
340 HG1 THR 44 HG1 THR 44 -6.983 8.514 2.330
341 HG21 THR 44 HG21 THR 44 -8.363 10.697 4.778
342 HG22 THR 44 HG22 THR 44 -8.554 11.234 3.108
343 HG23 THR 44 HG23 THR 44 -7.376 12.021 4.159
344 H GLU 45 H GLU 45 -5.460 11.613 4.515
345 HA GLU 45 HA GLU 45 -2.919 12.780 3.642
346 HB2 GLU 45 HB2 GLU 45 -2.988 13.713 6.045
347 HB3 GLU 45 HB3 GLU 45 -4.177 14.326 4.894
348 HG2 GLU 45 HG2 GLU 45 -5.908 12.967 5.797
349 HG3 GLU 45 HG3 GLU 45 -4.762 11.972 6.695
350 H ASN 46 H ASN 46 -4.187 10.425 5.962
351 HA ASN 46 HA ASN 46 -1.482 9.754 6.848
352 HB2 ASN 46 HB2 ASN 46 -3.813 9.852 8.217
353 HB3 ASN 46 HB3 ASN 46 -3.790 8.146 7.772
354 HD21 ASN 46 HD21 ASN 46 -0.935 10.205 8.441
355 HD22 ASN 46 HD22 ASN 46 -0.419 9.316 9.791
356 H ASN 47 H ASN 47 -4.072 8.531 4.850
357 HA ASN 47 HA ASN 47 -2.389 6.202 4.172
358 HB2 ASN 47 HB2 ASN 47 -4.257 5.237 5.203
359 HB3 ASN 47 HB3 ASN 47 -5.363 6.424 4.515
360 HD21 ASN 47 HD21 ASN 47 -6.710 5.189 3.159
361 HD22 ASN 47 HD22 ASN 47 -6.142 4.129 1.962
362 H LYS 48 H LYS 48 -1.492 6.527 2.264
363 HA LYS 48 HA LYS 48 -3.014 8.014 0.216
364 HB2 LYS 48 HB2 LYS 48 -0.089 7.285 0.084
365 HB3 LYS 48 HB3 LYS 48 -0.946 8.535 -0.819
366 HG2 LYS 48 HG2 LYS 48 -0.377 10.004 0.789
367 HG3 LYS 48 HG3 LYS 48 -1.415 9.112 1.902
368 HD2 LYS 48 HD2 LYS 48 0.399 7.740 2.642
369 HD3 LYS 48 HD3 LYS 48 1.440 8.292 1.329
370 HE2 LYS 48 HE2 LYS 48 1.087 10.659 2.348
371 HE3 LYS 48 HE3 LYS 48 0.560 9.790 3.789
372 HZ1 LYS 48 HZ1 LYS 48 3.205 9.821 2.507
373 HZ2 LYS 48 HZ2 LYS 48 2.732 8.466 3.415
374 HZ3 LYS 48 HZ3 LYS 48 2.804 9.999 4.145
375 H CYS 49 H CYS 49 -2.949 7.249 -1.989
376 HA CYS 49 HA CYS 49 -2.740 4.299 -2.165
377 HB2 CYS 49 HB2 CYS 49 -4.538 6.021 -3.869
378 HB3 CYS 49 HB3 CYS 49 -4.593 4.274 -3.644
379 H CYS 50 H CYS 50 -1.589 3.446 -3.811
380 HA CYS 50 HA CYS 50 -0.388 5.329 -5.748
381 HB2 CYS 50 HB2 CYS 50 0.860 3.529 -3.896
382 HB3 CYS 50 HB3 CYS 50 1.210 2.991 -5.539
383 H SER 51 H SER 51 0.712 3.686 -7.532
384 HA SER 51 HA SER 51 -1.118 1.575 -8.314
385 HB2 SER 51 HB2 SER 51 -0.997 4.211 -9.765
386 HB3 SER 51 HB3 SER 51 -1.432 2.725 -10.604
387 HG SER 51 HG SER 51 -3.318 2.842 -9.701
388 H THR 52 H THR 52 1.761 2.039 -7.706
389 HA THR 52 HA THR 52 2.837 0.840 -10.175
390 HB THR 52 HB THR 52 4.253 2.948 -8.526
391 HG1 THR 52 HG1 THR 52 2.495 3.101 -10.558
392 HG21 THR 52 HG21 THR 52 4.995 1.301 -10.940
393 HG22 THR 52 HG22 THR 52 5.899 1.519 -9.442
394 HG23 THR 52 HG23 THR 52 5.783 2.842 -10.601
395 H ASP 53 H ASP 53 4.893 -0.325 -9.782
396 HA ASP 53 HA ASP 53 4.663 -1.975 -7.437
397 HB2 ASP 53 HB2 ASP 53 7.036 -2.708 -8.519
398 HB3 ASP 53 HB3 ASP 53 5.479 -3.302 -9.093
399 H ARG 54 H ARG 54 5.833 -1.911 -5.594
400 HA ARG 54 HA ARG 54 7.305 -1.173 -3.991
401 HB2 ARG 54 HB2 ARG 54 8.999 -1.696 -5.783
402 HB3 ARG 54 HB3 ARG 54 8.905 -0.006 -6.278
403 HG2 ARG 54 HG2 ARG 54 10.001 0.748 -4.408
404 HG3 ARG 54 HG3 ARG 54 9.339 -0.521 -3.379
405 HD2 ARG 54 HD2 ARG 54 11.764 -0.831 -3.727
406 HD3 ARG 54 HD3 ARG 54 10.844 -2.166 -4.414
407 HE ARG 54 HE ARG 54 11.558 -1.505 -6.527
408 HH11 ARG 54 HH21 ARG 54 12.122 0.973 -4.178
409 HH12 ARG 54 HH22 ARG 54 13.045 1.972 -5.251
410 HH21 ARG 54 HH11 ARG 54 12.764 -0.201 -7.939
411 HH22 ARG 54 HH12 ARG 54 13.407 1.307 -7.381
412 H CYS 55 H CYS 55 5.048 0.430 -4.817
413 HA CYS 55 HA CYS 55 5.910 3.194 -4.850
414 HB2 CYS 55 HB2 CYS 55 3.610 1.882 -5.637
415 HB3 CYS 55 HB3 CYS 55 3.110 2.696 -4.155
416 H ASN 56 H ASN 56 4.324 1.006 -2.542
417 HA ASN 56 HA ASN 56 4.290 2.973 -0.436
418 HB2 ASN 56 HB2 ASN 56 3.404 1.202 0.938
419 HB3 ASN 56 HB3 ASN 56 2.622 1.119 -0.636
420 HD21 ASN 56 HD21 ASN 56 5.557 0.053 -1.456
421 HD22 ASN 56 HD22 ASN 56 5.408 -1.605 -1.123
422 H LYS 57 H LYS 57 5.253 2.264 1.756
423 HA LYS 57 HA LYS 57 7.955 1.138 1.368
424 HB2 LYS 57 HB2 LYS 57 7.653 3.779 1.619
425 HB3 LYS 57 HB3 LYS 57 7.598 3.352 3.330
426 HG2 LYS 57 HG2 LYS 57 9.885 3.579 3.059
427 HG3 LYS 57 HG3 LYS 57 9.706 1.868 2.664
428 HD2 LYS 57 HD2 LYS 57 10.867 2.509 0.790
429 HD3 LYS 57 HD3 LYS 57 9.245 2.913 0.227
430 HE2 LYS 57 HE2 LYS 57 10.385 4.902 -0.201
431 HE3 LYS 57 HE3 LYS 57 9.720 5.219 1.402
432 HZ1 LYS 57 HZ1 LYS 57 11.992 4.040 2.066
433 HZ2 LYS 57 HZ2 LYS 57 11.860 5.718 1.837
434 HZ3 LYS 57 HZ3 LYS 57 12.473 4.735 0.594
Start of MODEL 15
1 H1 LEU 1 H1 LEU 1 2.101 -4.543 -10.152
2 H2 LEU 1 H2 LEU 1 1.077 -4.619 -8.799
3 H3 LEU 1 H3 LEU 1 0.432 -4.757 -10.365
4 HA LEU 1 HA LEU 1 0.502 -6.946 -9.980
5 HB2 LEU 1 HB2 LEU 1 3.137 -6.016 -10.924
6 HB3 LEU 1 HB3 LEU 1 3.147 -7.637 -10.224
7 HG LEU 1 HG LEU 1 2.674 -7.698 -12.658
8 HD11 LEU 1 HD11 LEU 1 1.261 -8.968 -10.591
9 HD12 LEU 1 HD12 LEU 1 1.356 -9.488 -12.273
10 HD13 LEU 1 HD13 LEU 1 0.023 -8.463 -11.741
11 HD21 LEU 1 HD21 LEU 1 1.055 -5.456 -12.006
12 HD22 LEU 1 HD22 LEU 1 -0.039 -6.722 -12.565
13 HD23 LEU 1 HD23 LEU 1 1.289 -6.187 -13.595
14 H LYS 2 H LYS 2 2.712 -5.112 -7.980
15 HA LYS 2 HA LYS 2 2.094 -6.754 -5.688
16 HB2 LYS 2 HB2 LYS 2 4.423 -7.367 -5.181
17 HB3 LYS 2 HB3 LYS 2 3.885 -8.099 -6.693
18 HG2 LYS 2 HG2 LYS 2 4.957 -5.511 -7.286
19 HG3 LYS 2 HG3 LYS 2 6.118 -6.370 -6.275
20 HD2 LYS 2 HD2 LYS 2 6.145 -8.255 -7.790
21 HD3 LYS 2 HD3 LYS 2 4.828 -7.568 -8.740
22 HE2 LYS 2 HE2 LYS 2 6.938 -5.625 -8.512
23 HE3 LYS 2 HE3 LYS 2 7.613 -7.149 -9.091
24 HZ1 LYS 2 HZ1 LYS 2 6.067 -7.203 -10.866
25 HZ2 LYS 2 HZ2 LYS 2 6.743 -5.645 -10.857
26 HZ3 LYS 2 HZ3 LYS 2 5.181 -5.899 -10.239
27 H CYS 3 H CYS 3 3.380 -5.953 -3.741
28 HA CYS 3 HA CYS 3 4.533 -3.333 -3.845
29 HB2 CYS 3 HB2 CYS 3 1.960 -3.019 -4.094
30 HB3 CYS 3 HB3 CYS 3 1.911 -3.431 -2.379
31 H TYR 4 H TYR 4 3.975 -2.515 -1.242
32 HA TYR 4 HA TYR 4 5.491 -4.506 0.258
33 HB2 TYR 4 HB2 TYR 4 4.875 -1.598 0.602
34 HB3 TYR 4 HB3 TYR 4 5.365 -2.550 2.005
35 HD1 TYR 4 HD2 TYR 4 7.526 -3.869 1.899
36 HD2 TYR 4 HD1 TYR 4 6.457 -0.924 -1.037
37 HE1 TYR 4 HE2 TYR 4 9.886 -3.756 1.157
38 HE2 TYR 4 HE1 TYR 4 8.818 -0.811 -1.784
39 HH TYR 4 HH TYR 4 11.027 -3.024 -1.243
40 H GLN 5 H GLN 5 3.976 -6.080 0.692
41 HA GLN 5 HA GLN 5 1.508 -5.354 2.079
42 HB2 GLN 5 HB2 GLN 5 1.662 -7.148 0.269
43 HB3 GLN 5 HB3 GLN 5 2.487 -8.141 1.471
44 HG2 GLN 5 HG2 GLN 5 0.479 -7.594 3.009
45 HG3 GLN 5 HG3 GLN 5 -0.337 -7.087 1.530
46 HE21 GLN 5 HE21 GLN 5 2.012 -9.763 1.709
47 HE22 GLN 5 HE22 GLN 5 0.891 -10.984 1.340
48 H HIS 6 H HIS 6 4.527 -7.112 2.691
49 HA HIS 6 HA HIS 6 3.968 -6.881 5.581
50 HB2 HIS 6 HB2 HIS 6 3.896 -9.279 4.226
51 HB3 HIS 6 HB3 HIS 6 5.552 -9.232 4.829
52 HD1 HIS 6 HD1 HIS 6 5.653 -8.440 7.520
53 HD2 HIS 6 HD2 HIS 6 2.134 -10.197 6.135
54 HE1 HIS 6 HE1 HIS 6 4.397 -9.242 9.569
55 H GLY 7 H GLY 7 5.472 -5.041 4.154
56 HA2 GLY 7 HA2 GLY 7 7.456 -3.893 4.499
57 HA3 GLY 7 HA3 GLY 7 7.987 -5.206 5.546
58 H LYS 8 H LYS 8 6.960 -6.607 2.742
59 HA LYS 8 HA LYS 8 9.556 -6.317 1.378
60 HB2 LYS 8 HB2 LYS 8 8.404 -9.045 1.430
61 HB3 LYS 8 HB3 LYS 8 10.089 -8.527 1.492
62 HG2 LYS 8 HG2 LYS 8 9.653 -7.718 3.853
63 HG3 LYS 8 HG3 LYS 8 8.083 -8.518 3.761
64 HD2 LYS 8 HD2 LYS 8 10.783 -9.858 3.411
65 HD3 LYS 8 HD3 LYS 8 9.732 -10.002 4.821
66 HE2 LYS 8 HE2 LYS 8 9.088 -11.899 3.665
67 HE3 LYS 8 HE3 LYS 8 7.954 -10.736 2.979
68 HZ1 LYS 8 HZ1 LYS 8 9.589 -10.350 1.183
69 HZ2 LYS 8 HZ2 LYS 8 8.982 -11.936 1.210
70 HZ3 LYS 8 HZ3 LYS 8 10.537 -11.609 1.808
71 H VAL 9 H VAL 9 9.222 -5.793 -0.677
72 HA VAL 9 HA VAL 9 6.844 -5.517 -1.989
73 HB VAL 9 HB VAL 9 9.506 -6.330 -3.177
74 HG11 VAL 9 HG11 VAL 9 7.919 -6.762 -4.876
75 HG12 VAL 9 HG12 VAL 9 8.457 -5.115 -5.209
76 HG13 VAL 9 HG13 VAL 9 6.913 -5.394 -4.404
77 HG21 VAL 9 HG21 VAL 9 8.191 -3.716 -2.456
78 HG22 VAL 9 HG22 VAL 9 9.394 -3.784 -3.744
79 HG23 VAL 9 HG23 VAL 9 9.829 -4.262 -2.103
80 H VAL 10 H VAL 10 5.303 -7.088 -1.843
81 HA VAL 10 HA VAL 10 5.912 -9.631 -3.209
82 HB VAL 10 HB VAL 10 4.459 -10.783 -1.497
83 HG11 VAL 10 HG11 VAL 10 6.697 -11.276 -1.162
84 HG12 VAL 10 HG12 VAL 10 6.342 -10.445 0.352
85 HG13 VAL 10 HG13 VAL 10 7.148 -9.582 -0.959
86 HG21 VAL 10 HG21 VAL 10 5.006 -8.785 0.559
87 HG22 VAL 10 HG22 VAL 10 3.496 -9.615 0.182
88 HG23 VAL 10 HG23 VAL 10 3.943 -8.155 -0.700
89 H THR 11 H THR 11 4.028 -10.728 -4.049
90 HA THR 11 HA THR 11 2.124 -8.887 -5.174
91 HB THR 11 HB THR 11 2.112 -11.908 -5.315
92 HG1 THR 11 HG1 THR 11 3.600 -11.752 -6.808
93 HG21 THR 11 HG21 THR 11 0.334 -11.637 -6.663
94 HG22 THR 11 HG22 THR 11 1.236 -10.502 -7.669
95 HG23 THR 11 HG23 THR 11 0.336 -9.918 -6.269
96 H CYS 12 H CYS 12 0.536 -8.115 -3.924
97 HA CYS 12 HA CYS 12 -0.494 -9.320 -1.610
98 HB2 CYS 12 HB2 CYS 12 -1.106 -7.008 -3.265
99 HB3 CYS 12 HB3 CYS 12 -2.569 -7.762 -2.632
100 H HIS 13 H HIS 13 -3.270 -9.285 -1.912
101 HA HIS 13 HA HIS 13 -3.784 -11.449 -3.853
102 HB2 HIS 13 HB2 HIS 13 -3.530 -11.950 -1.196
103 HB3 HIS 13 HB3 HIS 13 -5.256 -11.609 -1.300
104 HD1 HIS 13 HD1 HIS 13 -6.187 -12.841 -3.800
105 HD2 HIS 13 HD2 HIS 13 -3.220 -14.669 -1.513
106 HE1 HIS 13 HE1 HIS 13 -6.183 -15.287 -4.455
107 H ARG 14 H ARG 14 -6.500 -11.706 -2.663
108 HA ARG 14 HA ARG 14 -8.568 -10.975 -3.438
109 HB2 ARG 14 HB2 ARG 14 -7.685 -8.350 -2.245
110 HB3 ARG 14 HB3 ARG 14 -9.295 -9.070 -2.244
111 HG2 ARG 14 HG2 ARG 14 -8.824 -9.962 -0.231
112 HG3 ARG 14 HG3 ARG 14 -7.618 -10.977 -1.021
113 HD2 ARG 14 HD2 ARG 14 -5.881 -9.385 -0.621
114 HD3 ARG 14 HD3 ARG 14 -7.034 -8.143 -0.146
115 HE ARG 14 HE ARG 14 -7.021 -10.548 1.502
116 HH11 ARG 14 HH21 ARG 14 -5.891 -7.323 0.960
117 HH12 ARG 14 HH22 ARG 14 -5.460 -7.047 2.615
118 HH21 ARG 14 HH11 ARG 14 -6.459 -10.194 3.676
119 HH22 ARG 14 HH12 ARG 14 -5.783 -8.671 4.152
120 H ASP 15 H ASP 15 -6.139 -10.412 -5.208
121 HA ASP 15 HA ASP 15 -5.692 -9.347 -7.190
122 HB2 ASP 15 HB2 ASP 15 -8.616 -9.655 -7.049
123 HB3 ASP 15 HB3 ASP 15 -8.062 -8.412 -8.167
124 H MET 16 H MET 16 -4.876 -7.781 -5.333
125 HA MET 16 HA MET 16 -6.181 -5.295 -4.995
126 HB2 MET 16 HB2 MET 16 -4.412 -4.774 -3.671
127 HB3 MET 16 HB3 MET 16 -4.021 -6.483 -3.844
128 HG2 MET 16 HG2 MET 16 -2.008 -5.350 -4.393
129 HG3 MET 16 HG3 MET 16 -2.707 -5.793 -5.949
130 HE1 MET 16 HE1 MET 16 -0.991 -3.725 -6.997
131 HE2 MET 16 HE2 MET 16 -0.520 -3.799 -5.301
132 HE3 MET 16 HE3 MET 16 -0.861 -2.239 -6.046
133 H LYS 17 H LYS 17 -6.040 -3.394 -6.085
134 HA LYS 17 HA LYS 17 -4.541 -3.426 -8.633
135 HB2 LYS 17 HB2 LYS 17 -7.269 -3.329 -8.385
136 HB3 LYS 17 HB3 LYS 17 -6.854 -1.617 -8.480
137 HG2 LYS 17 HG2 LYS 17 -5.941 -3.749 -10.436
138 HG3 LYS 17 HG3 LYS 17 -7.230 -2.581 -10.730
139 HD2 LYS 17 HD2 LYS 17 -5.533 -0.750 -10.287
140 HD3 LYS 17 HD3 LYS 17 -4.291 -2.001 -10.299
141 HE2 LYS 17 HE2 LYS 17 -5.403 -2.672 -12.592
142 HE3 LYS 17 HE3 LYS 17 -6.001 -1.013 -12.557
143 HZ1 LYS 17 HZ1 LYS 17 -4.002 -0.687 -13.555
144 HZ2 LYS 17 HZ2 LYS 17 -3.257 -2.001 -12.778
145 HZ3 LYS 17 HZ3 LYS 17 -3.506 -0.544 -11.940
146 H PHE 18 H PHE 18 -4.668 -2.070 -5.622
147 HA PHE 18 HA PHE 18 -3.095 0.230 -6.499
148 HB2 PHE 18 HB2 PHE 18 -5.558 0.519 -4.766
149 HB3 PHE 18 HB3 PHE 18 -4.420 1.806 -5.163
150 HD1 PHE 18 HD1 PHE 18 -3.881 1.904 -7.835
151 HD2 PHE 18 HD2 PHE 18 -7.499 0.446 -6.038
152 HE1 PHE 18 HE1 PHE 18 -5.102 2.322 -9.953
153 HE2 PHE 18 HE2 PHE 18 -8.720 0.864 -8.155
154 HZ PHE 18 HZ PHE 18 -7.521 1.803 -10.113
155 H CYS 19 H CYS 19 -1.572 0.857 -5.035
156 HA CYS 19 HA CYS 19 -1.370 -0.777 -2.591
157 HB2 CYS 19 HB2 CYS 19 0.543 -0.749 -4.248
158 HB3 CYS 19 HB3 CYS 19 0.778 0.949 -3.836
159 H TYR 20 H TYR 20 -0.834 0.263 -0.583
160 HA TYR 20 HA TYR 20 -1.190 3.174 -0.569
161 HB2 TYR 20 HB2 TYR 20 -2.827 3.078 1.233
162 HB3 TYR 20 HB3 TYR 20 -3.411 2.212 -0.182
163 HD1 TYR 20 HD1 TYR 20 -2.029 1.851 3.219
164 HD2 TYR 20 HD2 TYR 20 -3.694 -0.196 -0.169
165 HE1 TYR 20 HE1 TYR 20 -2.310 -0.193 4.590
166 HE2 TYR 20 HE2 TYR 20 -3.969 -2.242 1.206
167 HH TYR 20 HH TYR 20 -2.896 -2.331 4.604
168 H HIS 21 H HIS 21 -0.008 4.224 0.847
169 HA HIS 21 HA HIS 21 1.710 2.653 2.659
170 HB2 HIS 21 HB2 HIS 21 2.629 4.288 0.853
171 HB3 HIS 21 HB3 HIS 21 2.124 5.553 1.974
172 HD1 HIS 21 HD1 HIS 21 5.107 5.248 1.484
173 HD2 HIS 21 HD2 HIS 21 3.101 3.183 4.499
174 HE1 HIS 21 HE1 HIS 21 6.854 4.620 3.206
175 H ASN 22 H ASN 22 0.126 2.435 4.310
176 HA ASN 22 HA ASN 22 -1.289 4.607 5.439
177 HB2 ASN 22 HB2 ASN 22 -1.841 2.171 5.727
178 HB3 ASN 22 HB3 ASN 22 -0.476 2.052 6.835
179 HD21 ASN 22 HD21 ASN 22 -3.803 2.917 6.597
180 HD22 ASN 22 HD22 ASN 22 -3.964 3.585 8.149
181 H THR 23 H THR 23 -0.698 6.149 6.824
182 HA THR 23 HA THR 23 1.726 5.769 8.450
183 HB THR 23 HB THR 23 2.516 7.030 6.557
184 HG1 THR 23 HG1 THR 23 1.931 8.958 8.530
185 HG21 THR 23 HG21 THR 23 -0.080 7.880 6.310
186 HG22 THR 23 HG22 THR 23 1.286 8.573 5.436
187 HG23 THR 23 HG23 THR 23 0.714 9.330 6.923
188 H GLY 24 H GLY 24 -1.459 6.280 8.464
189 HA2 GLY 24 HA2 GLY 24 -2.372 8.382 9.763
190 HA3 GLY 24 HA3 GLY 24 -2.734 6.775 10.387
191 H MET 25 H MET 25 -2.296 9.392 11.771
192 HA MET 25 HA MET 25 -0.094 8.533 13.550
193 HB2 MET 25 HB2 MET 25 -0.888 11.266 12.587
194 HB3 MET 25 HB3 MET 25 -0.030 11.067 14.115
195 HG2 MET 25 HG2 MET 25 1.126 9.511 11.903
196 HG3 MET 25 HG3 MET 25 1.179 11.255 11.646
197 HE1 MET 25 HE1 MET 25 4.149 8.893 13.724
198 HE2 MET 25 HE2 MET 25 3.840 9.327 12.045
199 HE3 MET 25 HE3 MET 25 2.693 8.306 12.909
200 HA PRO 26 HA PRO 26 -4.083 8.695 15.927
201 HB2 PRO 26 HB2 PRO 26 -3.805 6.247 17.114
202 HB3 PRO 26 HB3 PRO 26 -4.575 6.484 15.534
203 HG2 PRO 26 HG2 PRO 26 -1.845 5.513 16.182
204 HG3 PRO 26 HG3 PRO 26 -2.947 5.014 14.889
205 HD2 PRO 26 HD2 PRO 26 -0.805 6.709 14.510
206 HD3 PRO 26 HD3 PRO 26 -2.244 6.684 13.469
207 H PHE 27 H PHE 27 -3.968 7.412 18.451
208 HA PHE 27 HA PHE 27 -2.139 9.217 19.836
209 HB2 PHE 27 HB2 PHE 27 -3.998 7.309 21.216
210 HB3 PHE 27 HB3 PHE 27 -3.465 8.910 21.727
211 HD1 PHE 27 HD1 PHE 27 -3.903 10.550 19.346
212 HD2 PHE 27 HD2 PHE 27 -6.337 7.424 21.003
213 HE1 PHE 27 HE1 PHE 27 -5.910 11.558 18.296
214 HE2 PHE 27 HE2 PHE 27 -8.345 8.432 19.953
215 HZ PHE 27 HZ PHE 27 -8.131 10.498 18.600
216 H ARG 28 H ARG 28 -0.782 8.471 21.580
217 HA ARG 28 HA ARG 28 0.935 7.165 22.375
218 HB2 ARG 28 HB2 ARG 28 -1.438 5.739 22.647
219 HB3 ARG 28 HB3 ARG 28 -0.329 4.585 21.906
220 HG2 ARG 28 HG2 ARG 28 1.352 5.103 23.659
221 HG3 ARG 28 HG3 ARG 28 0.198 6.200 24.419
222 HD2 ARG 28 HD2 ARG 28 -0.912 4.499 25.399
223 HD3 ARG 28 HD3 ARG 28 -0.978 3.586 23.894
224 HE ARG 28 HE ARG 28 1.605 3.271 24.689
225 HH11 ARG 28 HH21 ARG 28 -1.471 2.907 26.232
226 HH12 ARG 28 HH22 ARG 28 -0.945 1.639 27.288
227 HH21 ARG 28 HH11 ARG 28 2.301 1.607 26.071
228 HH22 ARG 28 HH12 ARG 28 1.189 0.902 27.196
229 H ASN 29 H ASN 29 2.721 5.990 21.707
230 HA ASN 29 HA ASN 29 4.164 4.925 20.263
231 HB2 ASN 29 HB2 ASN 29 1.849 3.613 19.818
232 HB3 ASN 29 HB3 ASN 29 2.093 4.336 18.230
233 HD21 ASN 29 HD21 ASN 29 4.386 2.954 20.657
234 HD22 ASN 29 HD22 ASN 29 5.128 1.896 19.558
235 H LEU 30 H LEU 30 5.159 5.218 18.137
236 HA LEU 30 HA LEU 30 4.188 7.508 16.587
237 HB2 LEU 30 HB2 LEU 30 6.924 7.975 16.731
238 HB3 LEU 30 HB3 LEU 30 5.667 8.900 17.552
239 HG LEU 30 HG LEU 30 5.805 7.266 19.460
240 HD11 LEU 30 HD11 LEU 30 8.443 6.286 18.925
241 HD12 LEU 30 HD12 LEU 30 7.409 5.857 17.562
242 HD13 LEU 30 HD13 LEU 30 6.969 5.357 19.195
243 HD21 LEU 30 HD21 LEU 30 8.365 8.036 19.918
244 HD22 LEU 30 HD22 LEU 30 6.991 9.133 20.066
245 HD23 LEU 30 HD23 LEU 30 7.956 9.123 18.590
246 H LYS 31 H LYS 31 4.975 7.574 14.459
247 HA LYS 31 HA LYS 31 5.600 6.617 12.465
248 HB2 LYS 31 HB2 LYS 31 7.830 6.663 14.129
249 HB3 LYS 31 HB3 LYS 31 7.805 5.017 13.500
250 HG2 LYS 31 HG2 LYS 31 7.667 5.868 11.204
251 HG3 LYS 31 HG3 LYS 31 7.621 7.526 11.805
252 HD2 LYS 31 HD2 LYS 31 9.854 7.193 12.842
253 HD3 LYS 31 HD3 LYS 31 9.904 5.563 12.171
254 HE2 LYS 31 HE2 LYS 31 10.784 7.893 10.906
255 HE3 LYS 31 HE3 LYS 31 10.522 6.326 10.140
256 HZ1 LYS 31 HZ1 LYS 31 8.061 7.150 10.110
257 HZ2 LYS 31 HZ2 LYS 31 9.151 7.645 8.905
258 HZ3 LYS 31 HZ3 LYS 31 8.780 8.684 10.196
259 H LEU 32 H LEU 32 3.643 5.313 12.523
260 HA LEU 32 HA LEU 32 4.063 2.489 13.246
261 HB2 LEU 32 HB2 LEU 32 1.815 4.278 13.371
262 HB3 LEU 32 HB3 LEU 32 1.414 2.909 12.334
263 HG LEU 32 HG LEU 32 2.679 2.591 15.066
264 HD11 LEU 32 HD11 LEU 32 0.644 2.690 16.065
265 HD12 LEU 32 HD12 LEU 32 -0.144 1.836 14.739
266 HD13 LEU 32 HD13 LEU 32 0.141 3.572 14.624
267 HD21 LEU 32 HD21 LEU 32 2.564 0.815 13.030
268 HD22 LEU 32 HD22 LEU 32 0.991 0.513 13.768
269 HD23 LEU 32 HD23 LEU 32 2.463 0.331 14.723
270 H ILE 33 H ILE 33 3.935 0.857 11.755
271 HA ILE 33 HA ILE 33 3.910 1.704 8.927
272 HB ILE 33 HB ILE 33 5.283 -0.533 10.389
273 HG12 ILE 33 HG12 ILE 33 6.240 1.838 9.850
274 HG13 ILE 33 HG13 ILE 33 7.238 0.426 9.498
275 HG21 ILE 33 HG21 ILE 33 4.563 -1.859 8.653
276 HG22 ILE 33 HG22 ILE 33 5.914 -1.078 7.830
277 HG23 ILE 33 HG23 ILE 33 4.271 -0.485 7.587
278 HD11 ILE 33 HD11 ILE 33 7.033 0.676 7.230
279 HD12 ILE 33 HD12 ILE 33 6.752 2.360 7.676
280 HD13 ILE 33 HD13 ILE 33 5.386 1.296 7.343
281 H LEU 34 H LEU 34 1.993 1.382 8.005
282 HA LEU 34 HA LEU 34 0.671 -1.220 8.416
283 HB2 LEU 34 HB2 LEU 34 -0.405 1.474 8.969
284 HB3 LEU 34 HB3 LEU 34 -1.468 0.419 8.038
285 HG LEU 34 HG LEU 34 -0.093 -0.620 10.505
286 HD11 LEU 34 HD11 LEU 34 -2.522 -0.009 11.475
287 HD12 LEU 34 HD12 LEU 34 -2.355 1.315 10.323
288 HD13 LEU 34 HD13 LEU 34 -1.158 1.101 11.601
289 HD21 LEU 34 HD21 LEU 34 -1.722 -1.754 8.576
290 HD22 LEU 34 HD22 LEU 34 -2.861 -1.376 9.868
291 HD23 LEU 34 HD23 LEU 34 -1.463 -2.402 10.196
292 H GLN 35 H GLN 35 2.389 -0.439 6.299
293 HA GLN 35 HA GLN 35 0.870 0.443 4.035
294 HB2 GLN 35 HB2 GLN 35 2.874 -0.296 2.743
295 HB3 GLN 35 HB3 GLN 35 3.270 0.789 4.077
296 HG2 GLN 35 HG2 GLN 35 3.435 -1.577 5.367
297 HG3 GLN 35 HG3 GLN 35 3.873 -2.102 3.743
298 HE21 GLN 35 HE21 GLN 35 5.775 -1.019 2.725
299 HE22 GLN 35 HE22 GLN 35 6.955 -0.297 3.709
300 H GLY 36 H GLY 36 -0.165 -0.716 2.493
301 HA2 GLY 36 HA2 GLY 36 0.176 -3.552 2.160
302 HA3 GLY 36 HA3 GLY 36 -1.337 -3.145 2.965
303 H CYS 37 H CYS 37 -1.842 -4.355 0.749
304 HA CYS 37 HA CYS 37 -2.314 -2.257 -1.284
305 HB2 CYS 37 HB2 CYS 37 -2.602 -4.933 -2.322
306 HB3 CYS 37 HB3 CYS 37 -1.527 -3.642 -2.858
307 H SER 38 H SER 38 -4.301 -2.490 -2.536
308 HA SER 38 HA SER 38 -6.386 -4.239 -1.644
309 HB2 SER 38 HB2 SER 38 -6.145 -2.329 0.143
310 HB3 SER 38 HB3 SER 38 -6.978 -1.358 -1.066
311 HG SER 38 HG SER 38 -8.741 -2.530 -0.808
312 H SER 39 H SER 39 -8.162 -4.212 -3.014
313 HA SER 39 HA SER 39 -7.720 -3.068 -5.606
314 HB2 SER 39 HB2 SER 39 -8.870 -5.043 -5.833
315 HB3 SER 39 HB3 SER 39 -9.775 -4.812 -4.340
316 HG SER 39 HG SER 39 -11.250 -3.732 -5.404
317 H SER 40 H SER 40 -8.227 -1.360 -3.103
318 HA SER 40 HA SER 40 -9.541 0.780 -4.392
319 HB2 SER 40 HB2 SER 40 -11.678 0.048 -4.129
320 HB3 SER 40 HB3 SER 40 -11.242 -1.085 -2.853
321 HG SER 40 HG SER 40 -11.939 0.366 -1.516
322 H CYS 41 H CYS 41 -7.675 1.795 -3.542
323 HA CYS 41 HA CYS 41 -7.301 1.908 -0.662
324 HB2 CYS 41 HB2 CYS 41 -5.305 1.860 -1.996
325 HB3 CYS 41 HB3 CYS 41 -5.856 3.222 -2.970
326 H SER 42 H SER 42 -6.945 4.118 0.335
327 HA SER 42 HA SER 42 -9.009 6.006 -0.632
328 HB2 SER 42 HB2 SER 42 -9.777 4.903 1.403
329 HB3 SER 42 HB3 SER 42 -8.274 5.313 2.223
330 HG SER 42 HG SER 42 -9.751 7.359 1.016
331 H GLU 43 H GLU 43 -7.629 7.402 -1.693
332 HA GLU 43 HA GLU 43 -5.112 8.258 -0.843
333 HB2 GLU 43 HB2 GLU 43 -6.923 10.190 -2.235
334 HB3 GLU 43 HB3 GLU 43 -5.220 9.845 -2.523
335 HG2 GLU 43 HG2 GLU 43 -5.903 8.572 -4.254
336 HG3 GLU 43 HG3 GLU 43 -6.476 7.420 -3.054
337 H THR 44 H THR 44 -5.001 8.749 1.334
338 HA THR 44 HA THR 44 -6.115 11.350 2.081
339 HB THR 44 HB THR 44 -6.649 10.169 4.389
340 HG1 THR 44 HG1 THR 44 -6.025 8.119 3.818
341 HG21 THR 44 HG21 THR 44 -8.994 9.718 3.445
342 HG22 THR 44 HG22 THR 44 -8.336 10.216 1.887
343 HG23 THR 44 HG23 THR 44 -8.355 11.349 3.238
344 H GLU 45 H GLU 45 -4.843 12.471 3.516
345 HA GLU 45 HA GLU 45 -2.150 12.082 3.681
346 HB2 GLU 45 HB2 GLU 45 -3.961 13.283 5.791
347 HB3 GLU 45 HB3 GLU 45 -2.205 13.451 5.774
348 HG2 GLU 45 HG2 GLU 45 -2.390 14.434 3.467
349 HG3 GLU 45 HG3 GLU 45 -4.143 14.413 3.653
350 H ASN 46 H ASN 46 -4.624 10.393 5.420
351 HA ASN 46 HA ASN 46 -2.844 9.277 7.409
352 HB2 ASN 46 HB2 ASN 46 -5.553 9.626 7.291
353 HB3 ASN 46 HB3 ASN 46 -5.406 7.914 6.899
354 HD21 ASN 46 HD21 ASN 46 -4.526 10.343 9.378
355 HD22 ASN 46 HD22 ASN 46 -4.342 9.217 10.636
356 H ASN 47 H ASN 47 -4.434 8.194 4.433
357 HA ASN 47 HA ASN 47 -2.455 6.021 4.245
358 HB2 ASN 47 HB2 ASN 47 -4.362 4.857 5.041
359 HB3 ASN 47 HB3 ASN 47 -5.451 5.775 4.002
360 HD21 ASN 47 HD21 ASN 47 -4.554 5.576 1.498
361 HD22 ASN 47 HD22 ASN 47 -4.285 3.970 1.023
362 H LYS 48 H LYS 48 -1.301 6.628 2.519
363 HA LYS 48 HA LYS 48 -2.455 8.092 0.319
364 HB2 LYS 48 HB2 LYS 48 0.268 6.802 0.621
365 HB3 LYS 48 HB3 LYS 48 -0.201 7.906 -0.672
366 HG2 LYS 48 HG2 LYS 48 -0.666 8.803 2.136
367 HG3 LYS 48 HG3 LYS 48 0.997 8.787 1.554
368 HD2 LYS 48 HD2 LYS 48 -1.097 9.983 -0.215
369 HD3 LYS 48 HD3 LYS 48 -0.563 10.911 1.187
370 HE2 LYS 48 HE2 LYS 48 1.564 11.203 0.362
371 HE3 LYS 48 HE3 LYS 48 1.557 9.661 -0.493
372 HZ1 LYS 48 HZ1 LYS 48 0.936 10.691 -2.334
373 HZ2 LYS 48 HZ2 LYS 48 1.047 12.186 -1.535
374 HZ3 LYS 48 HZ3 LYS 48 -0.428 11.344 -1.569
375 H CYS 49 H CYS 49 -2.217 7.332 -1.960
376 HA CYS 49 HA CYS 49 -2.593 4.408 -2.197
377 HB2 CYS 49 HB2 CYS 49 -4.189 6.469 -3.729
378 HB3 CYS 49 HB3 CYS 49 -4.424 4.722 -3.720
379 H CYS 50 H CYS 50 -1.566 3.457 -3.856
380 HA CYS 50 HA CYS 50 -0.222 5.205 -5.825
381 HB2 CYS 50 HB2 CYS 50 1.726 4.268 -5.231
382 HB3 CYS 50 HB3 CYS 50 0.896 3.303 -4.014
383 H SER 51 H SER 51 0.465 3.693 -7.806
384 HA SER 51 HA SER 51 -1.614 1.741 -8.434
385 HB2 SER 51 HB2 SER 51 -2.818 3.541 -9.274
386 HB3 SER 51 HB3 SER 51 -1.370 4.424 -9.747
387 HG SER 51 HG SER 51 -1.745 3.588 -11.637
388 H THR 52 H THR 52 1.292 1.690 -8.064
389 HA THR 52 HA THR 52 1.970 0.435 -10.625
390 HB THR 52 HB THR 52 4.012 2.192 -9.309
391 HG1 THR 52 HG1 THR 52 2.674 3.767 -9.745
392 HG21 THR 52 HG21 THR 52 4.749 2.311 -11.741
393 HG22 THR 52 HG22 THR 52 3.523 1.091 -12.082
394 HG23 THR 52 HG23 THR 52 4.860 0.717 -10.994
395 H ASP 53 H ASP 53 3.516 -1.215 -10.451
396 HA ASP 53 HA ASP 53 3.599 -2.545 -7.927
397 HB2 ASP 53 HB2 ASP 53 5.531 -3.768 -9.458
398 HB3 ASP 53 HB3 ASP 53 3.819 -4.191 -9.454
399 H ARG 54 H ARG 54 5.043 -2.398 -6.327
400 HA ARG 54 HA ARG 54 6.991 -1.935 -5.188
401 HB2 ARG 54 HB2 ARG 54 8.027 -2.901 -7.352
402 HB3 ARG 54 HB3 ARG 54 8.321 -1.217 -7.790
403 HG2 ARG 54 HG2 ARG 54 9.172 -1.348 -5.149
404 HG3 ARG 54 HG3 ARG 54 9.698 -2.890 -5.825
405 HD2 ARG 54 HD2 ARG 54 10.263 -0.161 -7.016
406 HD3 ARG 54 HD3 ARG 54 11.424 -1.154 -6.137
407 HE ARG 54 HE ARG 54 10.770 -2.849 -8.060
408 HH11 ARG 54 HH21 ARG 54 11.266 0.572 -8.197
409 HH12 ARG 54 HH22 ARG 54 11.821 0.565 -9.838
410 HH21 ARG 54 HH11 ARG 54 11.493 -2.867 -10.211
411 HH22 ARG 54 HH12 ARG 54 11.947 -1.384 -10.980
412 H CYS 55 H CYS 55 4.939 0.066 -5.897
413 HA CYS 55 HA CYS 55 6.333 2.545 -6.384
414 HB2 CYS 55 HB2 CYS 55 4.054 3.515 -5.670
415 HB3 CYS 55 HB3 CYS 55 4.106 2.549 -7.144
416 H ASN 56 H ASN 56 4.541 1.253 -3.568
417 HA ASN 56 HA ASN 56 5.438 3.280 -1.791
418 HB2 ASN 56 HB2 ASN 56 3.492 2.157 -1.109
419 HB3 ASN 56 HB3 ASN 56 4.192 0.568 -1.411
420 HD21 ASN 56 HD21 ASN 56 3.605 2.900 1.023
421 HD22 ASN 56 HD22 ASN 56 4.606 2.236 2.222
422 H LYS 57 H LYS 57 6.758 2.796 0.191
423 HA LYS 57 HA LYS 57 8.955 0.907 -0.377
424 HB2 LYS 57 HB2 LYS 57 10.571 2.584 0.437
425 HB3 LYS 57 HB3 LYS 57 9.720 3.153 -0.999
426 HG2 LYS 57 HG2 LYS 57 8.412 3.804 1.574
427 HG3 LYS 57 HG3 LYS 57 9.956 4.609 1.293
428 HD2 LYS 57 HD2 LYS 57 8.031 4.551 -0.982
429 HD3 LYS 57 HD3 LYS 57 7.641 5.610 0.374
430 HE2 LYS 57 HE2 LYS 57 9.608 6.876 0.116
431 HE3 LYS 57 HE3 LYS 57 10.399 5.619 -0.836
432 HZ1 LYS 57 HZ1 LYS 57 9.728 6.785 -2.591
433 HZ2 LYS 57 HZ2 LYS 57 8.635 7.717 -1.683
434 HZ3 LYS 57 HZ3 LYS 57 8.172 6.192 -2.271
Start of MODEL 16
1 H1 LEU 1 H1 LEU 1 1.633 -6.839 -10.420
2 H2 LEU 1 H2 LEU 1 2.568 -5.683 -11.242
3 H3 LEU 1 H3 LEU 1 0.881 -5.715 -11.443
4 HA LEU 1 HA LEU 1 2.056 -4.013 -9.825
5 HB2 LEU 1 HB2 LEU 1 -0.573 -5.244 -10.056
6 HB3 LEU 1 HB3 LEU 1 -0.250 -4.719 -8.403
7 HG LEU 1 HG LEU 1 0.397 -2.881 -10.688
8 HD11 LEU 1 HD11 LEU 1 -2.307 -3.652 -9.669
9 HD12 LEU 1 HD12 LEU 1 -1.816 -3.173 -11.293
10 HD13 LEU 1 HD13 LEU 1 -2.013 -1.952 -10.036
11 HD21 LEU 1 HD21 LEU 1 -0.446 -2.552 -7.793
12 HD22 LEU 1 HD22 LEU 1 -0.217 -1.205 -8.908
13 HD23 LEU 1 HD23 LEU 1 1.150 -2.233 -8.474
14 H LYS 2 H LYS 2 2.878 -3.841 -7.776
15 HA LYS 2 HA LYS 2 2.598 -5.962 -5.840
16 HB2 LYS 2 HB2 LYS 2 4.924 -6.593 -5.709
17 HB3 LYS 2 HB3 LYS 2 4.384 -6.827 -7.371
18 HG2 LYS 2 HG2 LYS 2 5.246 -4.170 -7.301
19 HG3 LYS 2 HG3 LYS 2 6.441 -5.040 -6.339
20 HD2 LYS 2 HD2 LYS 2 6.431 -6.765 -8.282
21 HD3 LYS 2 HD3 LYS 2 5.669 -5.478 -9.218
22 HE2 LYS 2 HE2 LYS 2 7.576 -3.970 -8.547
23 HE3 LYS 2 HE3 LYS 2 8.362 -5.377 -7.835
24 HZ1 LYS 2 HZ1 LYS 2 8.542 -6.410 -9.911
25 HZ2 LYS 2 HZ2 LYS 2 8.987 -4.796 -10.198
26 HZ3 LYS 2 HZ3 LYS 2 7.444 -5.347 -10.647
27 H CYS 3 H CYS 3 3.763 -5.467 -3.820
28 HA CYS 3 HA CYS 3 4.959 -2.912 -3.406
29 HB2 CYS 3 HB2 CYS 3 2.694 -2.696 -1.709
30 HB3 CYS 3 HB3 CYS 3 3.165 -1.625 -3.027
31 H TYR 4 H TYR 4 4.474 -2.518 -0.742
32 HA TYR 4 HA TYR 4 5.672 -4.935 0.408
33 HB2 TYR 4 HB2 TYR 4 5.589 -2.048 1.255
34 HB3 TYR 4 HB3 TYR 4 6.090 -3.323 2.366
35 HD1 TYR 4 HD2 TYR 4 7.880 -5.000 1.474
36 HD2 TYR 4 HD1 TYR 4 7.159 -1.121 -0.223
37 HE1 TYR 4 HE2 TYR 4 10.119 -5.047 0.416
38 HE2 TYR 4 HE1 TYR 4 9.399 -1.167 -1.284
39 HH TYR 4 HH TYR 4 11.031 -3.172 -2.044
40 H GLN 5 H GLN 5 3.924 -6.241 0.752
41 HA GLN 5 HA GLN 5 1.697 -5.222 2.369
42 HB2 GLN 5 HB2 GLN 5 1.607 -6.808 0.222
43 HB3 GLN 5 HB3 GLN 5 1.792 -8.052 1.458
44 HG2 GLN 5 HG2 GLN 5 -0.313 -5.873 1.494
45 HG3 GLN 5 HG3 GLN 5 -0.595 -7.542 1.004
46 HE21 GLN 5 HE21 GLN 5 0.391 -9.163 2.829
47 HE22 GLN 5 HE22 GLN 5 -0.075 -8.770 4.413
48 H HIS 6 H HIS 6 4.516 -7.231 2.597
49 HA HIS 6 HA HIS 6 3.946 -7.651 5.449
50 HB2 HIS 6 HB2 HIS 6 3.393 -9.689 3.835
51 HB3 HIS 6 HB3 HIS 6 5.136 -9.936 3.942
52 HD1 HIS 6 HD1 HIS 6 5.703 -11.511 5.775
53 HD2 HIS 6 HD2 HIS 6 2.391 -9.175 6.751
54 HE1 HIS 6 HE1 HIS 6 4.990 -12.215 8.102
55 H GLY 7 H GLY 7 5.637 -5.736 4.505
56 HA2 GLY 7 HA2 GLY 7 7.754 -4.961 5.074
57 HA3 GLY 7 HA3 GLY 7 8.168 -6.585 5.619
58 H LYS 8 H LYS 8 7.290 -7.789 3.070
59 HA LYS 8 HA LYS 8 9.646 -7.044 1.450
60 HB2 LYS 8 HB2 LYS 8 8.226 -9.595 0.931
61 HB3 LYS 8 HB3 LYS 8 9.955 -9.249 0.954
62 HG2 LYS 8 HG2 LYS 8 9.731 -8.985 3.486
63 HG3 LYS 8 HG3 LYS 8 8.124 -9.696 3.318
64 HD2 LYS 8 HD2 LYS 8 8.951 -11.772 2.714
65 HD3 LYS 8 HD3 LYS 8 10.434 -11.101 2.035
66 HE2 LYS 8 HE2 LYS 8 11.510 -11.096 4.049
67 HE3 LYS 8 HE3 LYS 8 10.050 -10.673 4.942
68 HZ1 LYS 8 HZ1 LYS 8 10.510 -13.343 3.740
69 HZ2 LYS 8 HZ2 LYS 8 9.288 -12.896 4.833
70 HZ3 LYS 8 HZ3 LYS 8 10.907 -12.965 5.346
71 H VAL 9 H VAL 9 9.385 -7.343 -0.919
72 HA VAL 9 HA VAL 9 7.000 -5.990 -1.823
73 HB VAL 9 HB VAL 9 9.422 -7.068 -3.280
74 HG11 VAL 9 HG11 VAL 9 7.627 -7.140 -4.861
75 HG12 VAL 9 HG12 VAL 9 8.490 -5.634 -5.175
76 HG13 VAL 9 HG13 VAL 9 6.968 -5.610 -4.284
77 HG21 VAL 9 HG21 VAL 9 8.519 -4.393 -2.239
78 HG22 VAL 9 HG22 VAL 9 9.595 -4.471 -3.634
79 HG23 VAL 9 HG23 VAL 9 10.098 -5.164 -2.093
80 H VAL 10 H VAL 10 5.199 -7.250 -1.753
81 HA VAL 10 HA VAL 10 5.327 -9.875 -3.109
82 HB VAL 10 HB VAL 10 2.890 -9.764 -1.795
83 HG11 VAL 10 HG11 VAL 10 3.861 -11.450 -0.361
84 HG12 VAL 10 HG12 VAL 10 5.489 -10.844 -0.670
85 HG13 VAL 10 HG13 VAL 10 4.583 -11.632 -1.961
86 HG21 VAL 10 HG21 VAL 10 5.058 -8.514 -0.075
87 HG22 VAL 10 HG22 VAL 10 3.488 -9.066 0.510
88 HG23 VAL 10 HG23 VAL 10 3.582 -7.715 -0.619
89 H THR 11 H THR 11 3.536 -10.463 -4.484
90 HA THR 11 HA THR 11 2.489 -8.136 -5.927
91 HB THR 11 HB THR 11 2.694 -11.063 -6.622
92 HG1 THR 11 HG1 THR 11 4.294 -10.384 -7.821
93 HG21 THR 11 HG21 THR 11 1.825 -10.033 -8.904
94 HG22 THR 11 HG22 THR 11 1.064 -8.862 -7.828
95 HG23 THR 11 HG23 THR 11 0.686 -10.578 -7.673
96 H CYS 12 H CYS 12 0.806 -7.506 -4.499
97 HA CYS 12 HA CYS 12 -1.182 -9.194 -3.469
98 HB2 CYS 12 HB2 CYS 12 -1.871 -6.425 -4.398
99 HB3 CYS 12 HB3 CYS 12 -2.350 -7.259 -2.918
100 H HIS 13 H HIS 13 -3.499 -9.246 -4.211
101 HA HIS 13 HA HIS 13 -4.185 -8.712 -6.909
102 HB2 HIS 13 HB2 HIS 13 -2.495 -10.747 -6.948
103 HB3 HIS 13 HB3 HIS 13 -3.934 -11.661 -6.495
104 HD1 HIS 13 HD1 HIS 13 -2.526 -11.855 -9.334
105 HD2 HIS 13 HD2 HIS 13 -5.895 -9.564 -8.457
106 HE1 HIS 13 HE1 HIS 13 -3.733 -11.487 -11.530
107 H ARG 14 H ARG 14 -5.799 -11.210 -7.110
108 HA ARG 14 HA ARG 14 -7.905 -11.930 -6.552
109 HB2 ARG 14 HB2 ARG 14 -6.475 -11.618 -4.091
110 HB3 ARG 14 HB3 ARG 14 -8.142 -11.104 -3.841
111 HG2 ARG 14 HG2 ARG 14 -7.458 -13.685 -5.255
112 HG3 ARG 14 HG3 ARG 14 -7.656 -13.602 -3.505
113 HD2 ARG 14 HD2 ARG 14 -9.865 -12.228 -4.604
114 HD3 ARG 14 HD3 ARG 14 -9.686 -13.699 -5.554
115 HE ARG 14 HE ARG 14 -10.540 -13.533 -2.818
116 HH11 ARG 14 HH21 ARG 14 -8.842 -15.429 -5.162
117 HH12 ARG 14 HH22 ARG 14 -9.149 -16.937 -4.367
118 HH21 ARG 14 HH11 ARG 14 -10.947 -15.506 -1.770
119 HH22 ARG 14 HH12 ARG 14 -10.342 -16.981 -2.446
120 H ASP 15 H ASP 15 -6.941 -8.748 -6.427
121 HA ASP 15 HA ASP 15 -9.133 -7.510 -7.358
122 HB2 ASP 15 HB2 ASP 15 -9.554 -8.251 -4.529
123 HB3 ASP 15 HB3 ASP 15 -9.973 -6.591 -4.949
124 H MET 16 H MET 16 -6.753 -7.325 -4.768
125 HA MET 16 HA MET 16 -6.525 -4.541 -4.562
126 HB2 MET 16 HB2 MET 16 -4.496 -6.745 -4.151
127 HB3 MET 16 HB3 MET 16 -4.214 -5.060 -3.721
128 HG2 MET 16 HG2 MET 16 -5.775 -5.089 -2.005
129 HG3 MET 16 HG3 MET 16 -6.711 -6.389 -2.741
130 HE1 MET 16 HE1 MET 16 -5.686 -7.259 0.719
131 HE2 MET 16 HE2 MET 16 -6.487 -8.459 -0.292
132 HE3 MET 16 HE3 MET 16 -6.920 -6.759 -0.447
133 H LYS 17 H LYS 17 -6.125 -3.175 -6.181
134 HA LYS 17 HA LYS 17 -4.114 -3.953 -8.209
135 HB2 LYS 17 HB2 LYS 17 -6.792 -2.714 -8.451
136 HB3 LYS 17 HB3 LYS 17 -5.526 -2.014 -9.461
137 HG2 LYS 17 HG2 LYS 17 -4.971 -4.291 -10.299
138 HG3 LYS 17 HG3 LYS 17 -6.303 -4.944 -9.344
139 HD2 LYS 17 HD2 LYS 17 -7.605 -4.551 -11.150
140 HD3 LYS 17 HD3 LYS 17 -7.477 -2.842 -10.734
141 HE2 LYS 17 HE2 LYS 17 -5.577 -2.556 -12.194
142 HE3 LYS 17 HE3 LYS 17 -5.469 -4.293 -12.477
143 HZ1 LYS 17 HZ1 LYS 17 -6.567 -3.286 -14.322
144 HZ2 LYS 17 HZ2 LYS 17 -7.669 -2.483 -13.308
145 HZ3 LYS 17 HZ3 LYS 17 -7.720 -4.175 -13.454
146 H PHE 18 H PHE 18 -4.695 -1.977 -5.615
147 HA PHE 18 HA PHE 18 -2.691 -0.019 -6.553
148 HB2 PHE 18 HB2 PHE 18 -5.208 0.586 -4.993
149 HB3 PHE 18 HB3 PHE 18 -3.913 1.739 -5.303
150 HD1 PHE 18 HD1 PHE 18 -6.273 -0.576 -7.060
151 HD2 PHE 18 HD2 PHE 18 -3.900 2.997 -7.291
152 HE1 PHE 18 HE1 PHE 18 -7.255 -0.067 -9.279
153 HE2 PHE 18 HE2 PHE 18 -4.882 3.506 -9.509
154 HZ PHE 18 HZ PHE 18 -6.560 1.975 -10.505
155 H CYS 19 H CYS 19 -1.178 0.588 -5.074
156 HA CYS 19 HA CYS 19 -1.163 -0.926 -2.555
157 HB2 CYS 19 HB2 CYS 19 1.139 0.617 -3.747
158 HB3 CYS 19 HB3 CYS 19 1.199 -0.641 -2.517
159 H TYR 20 H TYR 20 -1.383 0.078 -0.643
160 HA TYR 20 HA TYR 20 -1.495 3.026 -0.685
161 HB2 TYR 20 HB2 TYR 20 -3.091 2.937 1.059
162 HB3 TYR 20 HB3 TYR 20 -3.572 1.672 -0.071
163 HD1 TYR 20 HD2 TYR 20 -1.667 2.284 3.079
164 HD2 TYR 20 HD1 TYR 20 -3.692 -0.592 0.612
165 HE1 TYR 20 HE2 TYR 20 -1.470 0.596 4.883
166 HE2 TYR 20 HE1 TYR 20 -3.495 -2.280 2.418
167 HH TYR 20 HH TYR 20 -3.175 -2.395 4.799
168 H HIS 21 H HIS 21 -0.677 4.193 1.096
169 HA HIS 21 HA HIS 21 1.399 2.762 2.647
170 HB2 HIS 21 HB2 HIS 21 2.274 4.322 0.866
171 HB3 HIS 21 HB3 HIS 21 1.510 5.648 1.742
172 HD1 HIS 21 HD1 HIS 21 3.067 2.797 3.614
173 HD2 HIS 21 HD2 HIS 21 4.028 6.717 2.567
174 HE1 HIS 21 HE1 HIS 21 5.106 3.426 4.979
175 H ASN 22 H ASN 22 -0.236 2.457 4.295
176 HA ASN 22 HA ASN 22 -1.456 4.751 5.538
177 HB2 ASN 22 HB2 ASN 22 -2.487 2.459 5.450
178 HB3 ASN 22 HB3 ASN 22 -1.273 1.937 6.617
179 HD21 ASN 22 HD21 ASN 22 -1.141 3.919 8.476
180 HD22 ASN 22 HD22 ASN 22 -2.662 4.229 9.164
181 H THR 23 H THR 23 -0.629 6.008 7.042
182 HA THR 23 HA THR 23 1.869 5.191 8.370
183 HB THR 23 HB THR 23 1.771 7.706 9.074
184 HG1 THR 23 HG1 THR 23 -0.179 8.344 8.426
185 HG21 THR 23 HG21 THR 23 2.649 6.339 6.658
186 HG22 THR 23 HG22 THR 23 3.476 7.573 7.608
187 HG23 THR 23 HG23 THR 23 2.322 8.046 6.361
188 H GLY 24 H GLY 24 -1.485 5.724 8.922
189 HA2 GLY 24 HA2 GLY 24 -2.787 5.749 10.828
190 HA3 GLY 24 HA3 GLY 24 -1.621 4.570 11.420
191 H MET 25 H MET 25 -2.735 6.101 13.293
192 HA MET 25 HA MET 25 -0.540 7.402 14.519
193 HB2 MET 25 HB2 MET 25 -1.443 9.067 12.676
194 HB3 MET 25 HB3 MET 25 -2.676 9.399 13.893
195 HG2 MET 25 HG2 MET 25 -1.041 10.069 15.505
196 HG3 MET 25 HG3 MET 25 0.282 9.441 14.522
197 HE1 MET 25 HE1 MET 25 -2.166 13.236 14.066
198 HE2 MET 25 HE2 MET 25 -1.352 12.755 15.552
199 HE3 MET 25 HE3 MET 25 -2.603 11.722 14.867
200 HA PRO 26 HA PRO 26 -4.304 6.297 17.083
201 HB2 PRO 26 HB2 PRO 26 -3.371 4.016 18.230
202 HB3 PRO 26 HB3 PRO 26 -4.201 4.030 16.662
203 HG2 PRO 26 HG2 PRO 26 -1.302 3.814 17.269
204 HG3 PRO 26 HG3 PRO 26 -2.252 3.037 15.993
205 HD2 PRO 26 HD2 PRO 26 -0.639 5.270 15.614
206 HD3 PRO 26 HD3 PRO 26 -1.983 4.803 14.551
207 H PHE 27 H PHE 27 -0.856 5.930 17.884
208 HA PHE 27 HA PHE 27 -1.340 7.443 20.372
209 HB2 PHE 27 HB2 PHE 27 -0.239 4.726 20.070
210 HB3 PHE 27 HB3 PHE 27 0.715 5.800 21.092
211 HD1 PHE 27 HD2 PHE 27 -0.395 6.984 23.025
212 HD2 PHE 27 HD1 PHE 27 -2.342 3.869 20.797
213 HE1 PHE 27 HE2 PHE 27 -2.034 6.692 24.864
214 HE2 PHE 27 HE1 PHE 27 -3.979 3.576 22.636
215 HZ PHE 27 HZ PHE 27 -3.825 4.988 24.670
216 H ARG 28 H ARG 28 0.747 8.283 21.301
217 HA ARG 28 HA ARG 28 2.192 9.692 19.265
218 HB2 ARG 28 HB2 ARG 28 3.628 10.209 21.477
219 HB3 ARG 28 HB3 ARG 28 2.094 11.011 21.134
220 HG2 ARG 28 HG2 ARG 28 0.895 9.614 22.610
221 HG3 ARG 28 HG3 ARG 28 2.175 8.402 22.642
222 HD2 ARG 28 HD2 ARG 28 3.487 9.623 24.111
223 HD3 ARG 28 HD3 ARG 28 2.804 11.165 23.603
224 HE ARG 28 HE ARG 28 0.789 9.616 24.852
225 HH11 ARG 28 HH21 ARG 28 3.717 11.335 25.520
226 HH12 ARG 28 HH22 ARG 28 3.275 11.734 27.147
227 HH21 ARG 28 HH11 ARG 28 0.202 10.134 26.984
228 HH22 ARG 28 HH12 ARG 28 1.284 11.053 27.975
229 H ASN 29 H ASN 29 3.814 8.864 18.116
230 HA ASN 29 HA ASN 29 5.521 7.448 17.470
231 HB2 ASN 29 HB2 ASN 29 6.480 7.770 20.313
232 HB3 ASN 29 HB3 ASN 29 7.447 7.562 18.853
233 HD21 ASN 29 HD21 ASN 29 8.492 9.665 19.690
234 HD22 ASN 29 HD22 ASN 29 7.754 11.129 19.252
235 H LEU 30 H LEU 30 3.490 5.865 17.778
236 HA LEU 30 HA LEU 30 4.615 3.452 18.932
237 HB2 LEU 30 HB2 LEU 30 3.127 4.883 20.661
238 HB3 LEU 30 HB3 LEU 30 1.843 3.980 19.856
239 HG LEU 30 HG LEU 30 3.228 1.882 20.262
240 HD11 LEU 30 HD11 LEU 30 5.113 3.820 21.109
241 HD12 LEU 30 HD12 LEU 30 5.274 2.066 21.184
242 HD13 LEU 30 HD13 LEU 30 4.613 2.950 22.559
243 HD21 LEU 30 HD21 LEU 30 1.550 1.807 21.792
244 HD22 LEU 30 HD22 LEU 30 1.724 3.516 22.194
245 HD23 LEU 30 HD23 LEU 30 2.778 2.322 22.949
246 H LYS 31 H LYS 31 4.057 1.728 17.731
247 HA LYS 31 HA LYS 31 3.203 0.599 15.903
248 HB2 LYS 31 HB2 LYS 31 0.687 1.646 17.221
249 HB3 LYS 31 HB3 LYS 31 0.710 0.397 15.977
250 HG2 LYS 31 HG2 LYS 31 2.575 -0.581 17.712
251 HG3 LYS 31 HG3 LYS 31 1.477 0.232 18.829
252 HD2 LYS 31 HD2 LYS 31 0.654 -1.796 16.729
253 HD3 LYS 31 HD3 LYS 31 0.797 -2.117 18.457
254 HE2 LYS 31 HE2 LYS 31 -0.811 0.196 18.228
255 HE3 LYS 31 HE3 LYS 31 -1.410 -0.937 17.016
256 HZ1 LYS 31 HZ1 LYS 31 -0.924 -2.466 19.236
257 HZ2 LYS 31 HZ2 LYS 31 -2.444 -1.958 18.672
258 HZ3 LYS 31 HZ3 LYS 31 -1.626 -1.052 19.854
259 H LEU 32 H LEU 32 3.709 1.443 13.960
260 HA LEU 32 HA LEU 32 1.814 3.315 12.751
261 HB2 LEU 32 HB2 LEU 32 4.031 4.478 11.827
262 HB3 LEU 32 HB3 LEU 32 3.256 5.009 13.315
263 HG LEU 32 HG LEU 32 5.342 2.834 13.357
264 HD11 LEU 32 HD11 LEU 32 6.801 4.366 12.520
265 HD12 LEU 32 HD12 LEU 32 6.706 5.075 14.132
266 HD13 LEU 32 HD13 LEU 32 5.709 5.716 12.827
267 HD21 LEU 32 HD21 LEU 32 5.463 4.594 15.580
268 HD22 LEU 32 HD22 LEU 32 4.863 2.938 15.559
269 HD23 LEU 32 HD23 LEU 32 3.753 4.280 15.289
270 H ILE 33 H ILE 33 3.027 3.834 10.405
271 HA ILE 33 HA ILE 33 3.175 2.919 8.300
272 HB ILE 33 HB ILE 33 5.330 1.800 9.968
273 HG12 ILE 33 HG12 ILE 33 6.711 2.924 8.375
274 HG13 ILE 33 HG13 ILE 33 5.408 2.982 7.188
275 HG21 ILE 33 HG21 ILE 33 4.446 0.558 7.371
276 HG22 ILE 33 HG22 ILE 33 4.923 -0.245 8.865
277 HG23 ILE 33 HG23 ILE 33 6.141 0.532 7.855
278 HD11 ILE 33 HD11 ILE 33 4.375 4.761 8.207
279 HD12 ILE 33 HD12 ILE 33 6.016 5.078 8.767
280 HD13 ILE 33 HD13 ILE 33 4.868 4.256 9.821
281 H LEU 34 H LEU 34 1.647 1.765 7.361
282 HA LEU 34 HA LEU 34 1.287 -1.046 8.152
283 HB2 LEU 34 HB2 LEU 34 -0.611 1.105 8.538
284 HB3 LEU 34 HB3 LEU 34 -1.266 -0.110 7.441
285 HG LEU 34 HG LEU 34 0.099 -0.971 9.980
286 HD11 LEU 34 HD11 LEU 34 -2.696 0.133 9.668
287 HD12 LEU 34 HD12 LEU 34 -1.475 0.573 10.864
288 HD13 LEU 34 HD13 LEU 34 -2.277 -0.995 10.959
289 HD21 LEU 34 HD21 LEU 34 -2.198 -2.095 8.344
290 HD22 LEU 34 HD22 LEU 34 -1.432 -2.878 9.724
291 HD23 LEU 34 HD23 LEU 34 -0.522 -2.630 8.235
292 H GLN 35 H GLN 35 2.602 0.393 5.904
293 HA GLN 35 HA GLN 35 1.360 0.560 3.525
294 HB2 GLN 35 HB2 GLN 35 3.489 -1.035 2.806
295 HB3 GLN 35 HB3 GLN 35 3.551 0.711 3.039
296 HG2 GLN 35 HG2 GLN 35 4.452 0.531 5.183
297 HG3 GLN 35 HG3 GLN 35 3.855 -1.114 5.404
298 HE21 GLN 35 HE21 GLN 35 5.921 -2.091 5.828
299 HE22 GLN 35 HE22 GLN 35 7.146 -2.175 4.656
300 H GLY 36 H GLY 36 0.114 -0.643 2.249
301 HA2 GLY 36 HA2 GLY 36 0.328 -3.507 2.077
302 HA3 GLY 36 HA3 GLY 36 -1.115 -2.989 2.944
303 H CYS 37 H CYS 37 -1.928 -4.264 0.914
304 HA CYS 37 HA CYS 37 -2.197 -2.421 -1.375
305 HB2 CYS 37 HB2 CYS 37 -3.267 -5.116 -1.732
306 HB3 CYS 37 HB3 CYS 37 -2.140 -4.209 -2.741
307 H SER 38 H SER 38 -4.320 -2.397 -2.464
308 HA SER 38 HA SER 38 -6.686 -3.286 -1.177
309 HB2 SER 38 HB2 SER 38 -5.956 -1.511 0.443
310 HB3 SER 38 HB3 SER 38 -6.123 -0.331 -0.854
311 HG SER 38 HG SER 38 -8.298 -1.930 -0.684
312 H SER 39 H SER 39 -8.586 -2.699 -2.344
313 HA SER 39 HA SER 39 -8.053 -2.077 -5.119
314 HB2 SER 39 HB2 SER 39 -10.858 -2.173 -4.525
315 HB3 SER 39 HB3 SER 39 -9.884 -3.320 -5.439
316 HG SER 39 HG SER 39 -10.976 -4.022 -3.384
317 H SER 40 H SER 40 -10.853 -0.860 -3.354
318 HA SER 40 HA SER 40 -10.658 1.695 -4.652
319 HB2 SER 40 HB2 SER 40 -12.527 0.409 -2.713
320 HB3 SER 40 HB3 SER 40 -12.539 2.167 -2.840
321 HG SER 40 HG SER 40 -13.185 0.208 -4.734
322 H CYS 41 H CYS 41 -8.292 1.303 -3.309
323 HA CYS 41 HA CYS 41 -7.898 2.093 -0.749
324 HB2 CYS 41 HB2 CYS 41 -6.065 1.655 -2.350
325 HB3 CYS 41 HB3 CYS 41 -6.390 3.203 -3.131
326 H SER 42 H SER 42 -7.857 4.002 0.429
327 HA SER 42 HA SER 42 -9.347 6.235 -0.795
328 HB2 SER 42 HB2 SER 42 -9.307 5.026 1.905
329 HB3 SER 42 HB3 SER 42 -9.409 6.784 1.853
330 HG SER 42 HG SER 42 -11.401 5.268 1.634
331 H GLU 43 H GLU 43 -7.384 7.052 -1.780
332 HA GLU 43 HA GLU 43 -5.005 7.707 -0.572
333 HB2 GLU 43 HB2 GLU 43 -5.658 8.090 -2.989
334 HB3 GLU 43 HB3 GLU 43 -6.463 9.567 -2.457
335 HG2 GLU 43 HG2 GLU 43 -3.774 9.367 -1.361
336 HG3 GLU 43 HG3 GLU 43 -3.759 9.302 -3.123
337 H THR 44 H THR 44 -4.620 8.736 1.282
338 HA THR 44 HA THR 44 -5.975 11.276 1.814
339 HB THR 44 HB THR 44 -5.824 9.780 4.275
340 HG1 THR 44 HG1 THR 44 -7.656 8.389 3.535
341 HG21 THR 44 HG21 THR 44 -8.028 10.598 4.550
342 HG22 THR 44 HG22 THR 44 -8.306 10.671 2.809
343 HG23 THR 44 HG23 THR 44 -7.223 11.831 3.580
344 H GLU 45 H GLU 45 -5.038 11.934 4.213
345 HA GLU 45 HA GLU 45 -2.275 12.457 3.737
346 HB2 GLU 45 HB2 GLU 45 -4.235 13.051 5.907
347 HB3 GLU 45 HB3 GLU 45 -2.518 13.183 6.287
348 HG2 GLU 45 HG2 GLU 45 -2.159 14.826 4.618
349 HG3 GLU 45 HG3 GLU 45 -3.691 14.470 3.823
350 H ASN 46 H ASN 46 -4.016 10.330 5.988
351 HA ASN 46 HA ASN 46 -1.514 9.225 6.993
352 HB2 ASN 46 HB2 ASN 46 -3.408 9.634 8.533
353 HB3 ASN 46 HB3 ASN 46 -4.377 8.473 7.627
354 HD21 ASN 46 HD21 ASN 46 -3.798 6.187 7.795
355 HD22 ASN 46 HD22 ASN 46 -2.756 5.633 9.014
356 H ASN 47 H ASN 47 -4.225 8.308 4.934
357 HA ASN 47 HA ASN 47 -2.768 5.832 4.235
358 HB2 ASN 47 HB2 ASN 47 -4.708 4.993 5.179
359 HB3 ASN 47 HB3 ASN 47 -5.682 6.363 4.647
360 HD21 ASN 47 HD21 ASN 47 -3.605 3.912 2.982
361 HD22 ASN 47 HD22 ASN 47 -4.761 3.535 1.797
362 H LYS 48 H LYS 48 -1.687 6.411 2.431
363 HA LYS 48 HA LYS 48 -2.966 8.035 0.384
364 HB2 LYS 48 HB2 LYS 48 -0.230 6.752 0.538
365 HB3 LYS 48 HB3 LYS 48 -0.774 7.793 -0.778
366 HG2 LYS 48 HG2 LYS 48 0.107 9.458 0.505
367 HG3 LYS 48 HG3 LYS 48 -1.417 9.329 1.378
368 HD2 LYS 48 HD2 LYS 48 -0.387 7.722 2.944
369 HD3 LYS 48 HD3 LYS 48 1.144 7.863 2.077
370 HE2 LYS 48 HE2 LYS 48 -0.125 10.401 2.978
371 HE3 LYS 48 HE3 LYS 48 0.568 9.371 4.230
372 HZ1 LYS 48 HZ1 LYS 48 2.383 9.425 2.135
373 HZ2 LYS 48 HZ2 LYS 48 2.548 10.140 3.667
374 HZ3 LYS 48 HZ3 LYS 48 1.896 11.031 2.376
375 H CYS 49 H CYS 49 -2.089 7.065 -1.951
376 HA CYS 49 HA CYS 49 -2.746 4.241 -2.236
377 HB2 CYS 49 HB2 CYS 49 -4.456 6.338 -3.593
378 HB3 CYS 49 HB3 CYS 49 -4.640 4.588 -3.701
379 H CYS 50 H CYS 50 -1.484 3.427 -3.787
380 HA CYS 50 HA CYS 50 -0.786 5.091 -6.099
381 HB2 CYS 50 HB2 CYS 50 1.568 4.776 -5.855
382 HB3 CYS 50 HB3 CYS 50 0.979 5.366 -4.301
383 H SER 51 H SER 51 0.628 3.713 -7.645
384 HA SER 51 HA SER 51 0.129 0.854 -7.533
385 HB2 SER 51 HB2 SER 51 -0.800 1.527 -10.097
386 HB3 SER 51 HB3 SER 51 -1.749 0.883 -8.759
387 HG SER 51 HG SER 51 -2.512 2.822 -8.365
388 H THR 52 H THR 52 2.376 2.837 -7.722
389 HA THR 52 HA THR 52 3.509 2.155 -10.347
390 HB THR 52 HB THR 52 4.997 3.858 -8.414
391 HG1 THR 52 HG1 THR 52 2.762 4.495 -8.288
392 HG21 THR 52 HG21 THR 52 4.411 4.658 -11.209
393 HG22 THR 52 HG22 THR 52 5.356 3.182 -11.011
394 HG23 THR 52 HG23 THR 52 5.935 4.697 -10.320
395 H ASP 53 H ASP 53 3.200 0.313 -7.973
396 HA ASP 53 HA ASP 53 4.386 -1.441 -7.086
397 HB2 ASP 53 HB2 ASP 53 6.799 -0.670 -8.684
398 HB3 ASP 53 HB3 ASP 53 6.200 -2.276 -8.271
399 H ARG 54 H ARG 54 5.731 -1.800 -5.335
400 HA ARG 54 HA ARG 54 6.629 -1.009 -3.326
401 HB2 ARG 54 HB2 ARG 54 8.815 0.114 -5.036
402 HB3 ARG 54 HB3 ARG 54 8.933 -0.828 -3.550
403 HG2 ARG 54 HG2 ARG 54 8.273 -2.851 -4.702
404 HG3 ARG 54 HG3 ARG 54 7.920 -1.950 -6.177
405 HD2 ARG 54 HD2 ARG 54 10.448 -3.010 -5.261
406 HD3 ARG 54 HD3 ARG 54 10.045 -2.298 -6.821
407 HE ARG 54 HE ARG 54 11.183 -0.894 -4.512
408 HH11 ARG 54 HH21 ARG 54 9.852 -0.841 -7.706
409 HH12 ARG 54 HH22 ARG 54 10.495 0.719 -8.097
410 HH21 ARG 54 HH11 ARG 54 12.027 1.152 -5.015
411 HH22 ARG 54 HH12 ARG 54 11.727 1.848 -6.573
412 H CYS 55 H CYS 55 4.904 0.946 -4.796
413 HA CYS 55 HA CYS 55 6.157 3.512 -4.178
414 HB2 CYS 55 HB2 CYS 55 4.016 4.431 -5.127
415 HB3 CYS 55 HB3 CYS 55 4.933 3.424 -6.249
416 H ASN 56 H ASN 56 4.437 1.196 -2.519
417 HA ASN 56 HA ASN 56 2.589 2.716 -1.015
418 HB2 ASN 56 HB2 ASN 56 2.675 0.856 0.594
419 HB3 ASN 56 HB3 ASN 56 2.557 0.260 -1.060
420 HD21 ASN 56 HD21 ASN 56 4.891 0.796 1.602
421 HD22 ASN 56 HD22 ASN 56 6.016 -0.349 1.051
422 H LYS 57 H LYS 57 5.647 3.468 -1.307
423 HA LYS 57 HA LYS 57 6.010 4.180 1.541
424 HB2 LYS 57 HB2 LYS 57 8.502 4.432 0.462
425 HB3 LYS 57 HB3 LYS 57 7.920 2.984 1.284
426 HG2 LYS 57 HG2 LYS 57 7.404 1.892 -0.745
427 HG3 LYS 57 HG3 LYS 57 7.440 3.398 -1.665
428 HD2 LYS 57 HD2 LYS 57 9.481 2.269 -2.185
429 HD3 LYS 57 HD3 LYS 57 9.913 3.555 -1.058
430 HE2 LYS 57 HE2 LYS 57 9.302 0.727 -0.171
431 HE3 LYS 57 HE3 LYS 57 10.933 1.286 -0.542
432 HZ1 LYS 57 HZ1 LYS 57 10.101 3.219 1.082
433 HZ2 LYS 57 HZ2 LYS 57 10.920 1.833 1.623
434 HZ3 LYS 57 HZ3 LYS 57 9.226 1.914 1.719
Start of MODEL 17
1 H1 LEU 1 H1 LEU 1 3.035 -7.061 -10.490
2 H2 LEU 1 H2 LEU 1 3.437 -5.543 -9.840
3 H3 LEU 1 H3 LEU 1 2.439 -5.646 -11.210
4 HA LEU 1 HA LEU 1 1.050 -5.172 -9.359
5 HB2 LEU 1 HB2 LEU 1 0.880 -8.129 -10.011
6 HB3 LEU 1 HB3 LEU 1 -0.437 -7.103 -9.440
7 HG LEU 1 HG LEU 1 1.041 -6.293 -11.917
8 HD11 LEU 1 HD11 LEU 1 -1.068 -7.683 -12.941
9 HD12 LEU 1 HD12 LEU 1 -0.622 -8.718 -11.585
10 HD13 LEU 1 HD13 LEU 1 0.568 -8.330 -12.827
11 HD21 LEU 1 HD21 LEU 1 -1.899 -6.176 -11.745
12 HD22 LEU 1 HD22 LEU 1 -0.748 -4.914 -12.186
13 HD23 LEU 1 HD23 LEU 1 -1.070 -5.259 -10.486
14 H LYS 2 H LYS 2 2.993 -4.962 -7.775
15 HA LYS 2 HA LYS 2 2.365 -6.575 -5.465
16 HB2 LYS 2 HB2 LYS 2 4.531 -7.538 -5.123
17 HB3 LYS 2 HB3 LYS 2 4.037 -7.962 -6.762
18 HG2 LYS 2 HG2 LYS 2 5.314 -5.475 -7.016
19 HG3 LYS 2 HG3 LYS 2 6.317 -6.389 -5.888
20 HD2 LYS 2 HD2 LYS 2 5.377 -7.388 -8.594
21 HD3 LYS 2 HD3 LYS 2 6.998 -6.790 -8.237
22 HE2 LYS 2 HE2 LYS 2 6.025 -8.883 -6.394
23 HE3 LYS 2 HE3 LYS 2 6.267 -9.418 -8.057
24 HZ1 LYS 2 HZ1 LYS 2 8.308 -9.687 -6.907
25 HZ2 LYS 2 HZ2 LYS 2 8.248 -8.110 -6.279
26 HZ3 LYS 2 HZ3 LYS 2 8.498 -8.357 -7.941
27 H CYS 3 H CYS 3 3.382 -5.749 -3.521
28 HA CYS 3 HA CYS 3 4.932 -3.307 -3.707
29 HB2 CYS 3 HB2 CYS 3 2.116 -3.273 -2.599
30 HB3 CYS 3 HB3 CYS 3 3.284 -1.962 -2.427
31 H TYR 4 H TYR 4 4.816 -2.323 -1.252
32 HA TYR 4 HA TYR 4 6.039 -4.390 0.344
33 HB2 TYR 4 HB2 TYR 4 5.564 -1.442 0.774
34 HB3 TYR 4 HB3 TYR 4 6.324 -2.477 1.984
35 HD1 TYR 4 HD1 TYR 4 8.231 -4.063 1.023
36 HD2 TYR 4 HD2 TYR 4 6.949 -0.383 -0.779
37 HE1 TYR 4 HE1 TYR 4 10.381 -3.911 -0.190
38 HE2 TYR 4 HE2 TYR 4 9.105 -0.225 -1.995
39 HH TYR 4 HH TYR 4 11.360 -1.051 -1.850
40 H GLN 5 H GLN 5 4.410 -5.803 0.847
41 HA GLN 5 HA GLN 5 2.150 -4.776 2.434
42 HB2 GLN 5 HB2 GLN 5 1.935 -6.384 0.380
43 HB3 GLN 5 HB3 GLN 5 2.401 -7.625 1.544
44 HG2 GLN 5 HG2 GLN 5 0.508 -6.180 2.938
45 HG3 GLN 5 HG3 GLN 5 -0.127 -6.155 1.295
46 HE21 GLN 5 HE21 GLN 5 -1.853 -7.678 1.816
47 HE22 GLN 5 HE22 GLN 5 -1.522 -9.317 2.113
48 H HIS 6 H HIS 6 5.140 -6.396 2.749
49 HA HIS 6 HA HIS 6 4.647 -6.779 5.600
50 HB2 HIS 6 HB2 HIS 6 5.207 -9.026 3.681
51 HB3 HIS 6 HB3 HIS 6 5.731 -9.126 5.363
52 HD1 HIS 6 HD1 HIS 6 3.089 -10.331 3.492
53 HD2 HIS 6 HD2 HIS 6 3.179 -8.062 6.988
54 HE1 HIS 6 HE1 HIS 6 0.843 -10.656 4.615
55 H GLY 7 H GLY 7 6.279 -4.973 4.070
56 HA2 GLY 7 HA2 GLY 7 8.362 -4.034 4.659
57 HA3 GLY 7 HA3 GLY 7 8.866 -5.600 5.289
58 H LYS 8 H LYS 8 7.857 -6.934 2.805
59 HA LYS 8 HA LYS 8 10.027 -6.106 0.971
60 HB2 LYS 8 HB2 LYS 8 9.124 -8.929 0.920
61 HB3 LYS 8 HB3 LYS 8 10.745 -8.257 0.742
62 HG2 LYS 8 HG2 LYS 8 10.491 -7.637 3.271
63 HG3 LYS 8 HG3 LYS 8 9.220 -8.862 3.263
64 HD2 LYS 8 HD2 LYS 8 11.984 -9.413 2.168
65 HD3 LYS 8 HD3 LYS 8 11.578 -9.674 3.864
66 HE2 LYS 8 HE2 LYS 8 10.372 -11.539 3.409
67 HE3 LYS 8 HE3 LYS 8 9.613 -10.809 1.995
68 HZ1 LYS 8 HZ1 LYS 8 12.298 -11.153 1.390
69 HZ2 LYS 8 HZ2 LYS 8 10.973 -11.993 0.738
70 HZ3 LYS 8 HZ3 LYS 8 11.783 -12.604 2.101
71 H VAL 9 H VAL 9 9.528 -5.924 -1.161
72 HA VAL 9 HA VAL 9 6.925 -5.457 -1.999
73 HB VAL 9 HB VAL 9 8.034 -6.091 -4.342
74 HG11 VAL 9 HG11 VAL 9 8.465 -3.742 -2.516
75 HG12 VAL 9 HG12 VAL 9 7.500 -3.843 -3.989
76 HG13 VAL 9 HG13 VAL 9 9.260 -3.780 -4.090
77 HG21 VAL 9 HG21 VAL 9 10.365 -6.192 -4.338
78 HG22 VAL 9 HG22 VAL 9 9.985 -7.092 -2.870
79 HG23 VAL 9 HG23 VAL 9 10.497 -5.407 -2.764
80 H VAL 10 H VAL 10 5.413 -7.005 -1.541
81 HA VAL 10 HA VAL 10 5.814 -9.649 -2.811
82 HB VAL 10 HB VAL 10 4.268 -10.547 -1.099
83 HG11 VAL 10 HG11 VAL 10 5.932 -9.786 0.900
84 HG12 VAL 10 HG12 VAL 10 6.888 -9.286 -0.496
85 HG13 VAL 10 HG13 VAL 10 6.382 -10.968 -0.328
86 HG21 VAL 10 HG21 VAL 10 4.175 -8.788 0.945
87 HG22 VAL 10 HG22 VAL 10 2.905 -8.889 -0.275
88 HG23 VAL 10 HG23 VAL 10 4.156 -7.653 -0.406
89 H THR 11 H THR 11 4.011 -10.630 -3.799
90 HA THR 11 HA THR 11 2.236 -8.761 -5.100
91 HB THR 11 HB THR 11 2.391 -11.783 -5.240
92 HG1 THR 11 HG1 THR 11 3.450 -11.281 -7.219
93 HG21 THR 11 HG21 THR 11 1.298 -10.507 -7.567
94 HG22 THR 11 HG22 THR 11 0.388 -9.989 -6.148
95 HG23 THR 11 HG23 THR 11 0.547 -11.706 -6.516
96 H CYS 12 H CYS 12 0.367 -8.096 -4.259
97 HA CYS 12 HA CYS 12 -0.790 -9.221 -1.925
98 HB2 CYS 12 HB2 CYS 12 -2.386 -7.547 -3.830
99 HB3 CYS 12 HB3 CYS 12 -2.368 -7.523 -2.068
100 H HIS 13 H HIS 13 -3.583 -9.012 -2.868
101 HA HIS 13 HA HIS 13 -3.938 -11.781 -3.602
102 HB2 HIS 13 HB2 HIS 13 -5.420 -10.150 -2.103
103 HB3 HIS 13 HB3 HIS 13 -6.209 -9.850 -3.652
104 HD1 HIS 13 HD1 HIS 13 -5.592 -12.548 -1.111
105 HD2 HIS 13 HD2 HIS 13 -7.626 -12.078 -4.720
106 HE1 HIS 13 HE1 HIS 13 -7.063 -14.592 -1.376
107 H ARG 14 H ARG 14 -5.943 -11.992 -5.295
108 HA ARG 14 HA ARG 14 -4.813 -11.018 -7.813
109 HB2 ARG 14 HB2 ARG 14 -6.766 -13.175 -7.065
110 HB3 ARG 14 HB3 ARG 14 -6.694 -12.580 -8.724
111 HG2 ARG 14 HG2 ARG 14 -4.269 -13.067 -8.788
112 HG3 ARG 14 HG3 ARG 14 -4.358 -13.690 -7.140
113 HD2 ARG 14 HD2 ARG 14 -4.525 -15.351 -9.174
114 HD3 ARG 14 HD3 ARG 14 -5.563 -15.576 -7.768
115 HE ARG 14 HE ARG 14 -6.655 -13.953 -9.942
116 HH11 ARG 14 HH21 ARG 14 -6.402 -17.002 -8.330
117 HH12 ARG 14 HH22 ARG 14 -7.862 -17.641 -9.011
118 HH21 ARG 14 HH11 ARG 14 -8.572 -14.784 -10.842
119 HH22 ARG 14 HH12 ARG 14 -9.089 -16.385 -10.432
120 H ASP 15 H ASP 15 -6.739 -9.645 -5.687
121 HA ASP 15 HA ASP 15 -8.631 -8.594 -7.705
122 HB2 ASP 15 HB2 ASP 15 -9.757 -9.760 -5.861
123 HB3 ASP 15 HB3 ASP 15 -8.938 -8.722 -4.696
124 H MET 16 H MET 16 -6.537 -7.766 -4.967
125 HA MET 16 HA MET 16 -6.938 -4.988 -4.980
126 HB2 MET 16 HB2 MET 16 -4.661 -6.751 -4.103
127 HB3 MET 16 HB3 MET 16 -4.561 -4.995 -3.980
128 HG2 MET 16 HG2 MET 16 -5.406 -5.786 -1.875
129 HG3 MET 16 HG3 MET 16 -6.766 -5.058 -2.730
130 HE1 MET 16 HE1 MET 16 -8.615 -7.025 -0.955
131 HE2 MET 16 HE2 MET 16 -7.023 -6.467 -0.448
132 HE3 MET 16 HE3 MET 16 -7.402 -8.186 -0.399
133 H LYS 17 H LYS 17 -6.138 -3.357 -6.193
134 HA LYS 17 HA LYS 17 -4.066 -3.996 -8.198
135 HB2 LYS 17 HB2 LYS 17 -6.792 -2.843 -8.619
136 HB3 LYS 17 HB3 LYS 17 -5.468 -2.273 -9.635
137 HG2 LYS 17 HG2 LYS 17 -4.927 -4.669 -10.165
138 HG3 LYS 17 HG3 LYS 17 -6.385 -5.140 -9.290
139 HD2 LYS 17 HD2 LYS 17 -7.349 -3.181 -10.954
140 HD3 LYS 17 HD3 LYS 17 -6.112 -3.931 -11.963
141 HE2 LYS 17 HE2 LYS 17 -7.189 -6.178 -11.121
142 HE3 LYS 17 HE3 LYS 17 -8.586 -5.156 -10.780
143 HZ1 LYS 17 HZ1 LYS 17 -8.086 -4.310 -13.191
144 HZ2 LYS 17 HZ2 LYS 17 -9.001 -5.718 -12.932
145 HZ3 LYS 17 HZ3 LYS 17 -7.359 -5.835 -13.352
146 H PHE 18 H PHE 18 -4.984 -2.103 -5.639
147 HA PHE 18 HA PHE 18 -3.194 0.094 -6.496
148 HB2 PHE 18 HB2 PHE 18 -5.551 0.406 -4.634
149 HB3 PHE 18 HB3 PHE 18 -4.558 1.681 -5.339
150 HD1 PHE 18 HD1 PHE 18 -7.107 -0.906 -6.054
151 HD2 PHE 18 HD2 PHE 18 -4.870 2.408 -7.622
152 HE1 PHE 18 HE1 PHE 18 -8.597 -0.838 -8.034
153 HE2 PHE 18 HE2 PHE 18 -6.359 2.475 -9.604
154 HZ PHE 18 HZ PHE 18 -8.223 0.852 -9.810
155 H CYS 19 H CYS 19 -1.578 0.598 -5.140
156 HA CYS 19 HA CYS 19 -1.408 -0.919 -2.621
157 HB2 CYS 19 HB2 CYS 19 0.740 0.524 -4.189
158 HB3 CYS 19 HB3 CYS 19 0.999 -0.391 -2.706
159 H TYR 20 H TYR 20 -1.185 0.113 -0.665
160 HA TYR 20 HA TYR 20 -1.192 3.063 -0.751
161 HB2 TYR 20 HB2 TYR 20 -2.853 3.164 0.963
162 HB3 TYR 20 HB3 TYR 20 -3.459 2.070 -0.278
163 HD1 TYR 20 HD2 TYR 20 -3.307 -0.413 0.061
164 HD2 TYR 20 HD1 TYR 20 -2.353 2.392 3.171
165 HE1 TYR 20 HE2 TYR 20 -3.487 -2.223 1.748
166 HE2 TYR 20 HE1 TYR 20 -2.531 0.583 4.857
167 HH TYR 20 HH TYR 20 -2.232 -2.172 4.635
168 H HIS 21 H HIS 21 -0.176 4.131 0.891
169 HA HIS 21 HA HIS 21 1.534 2.475 2.655
170 HB2 HIS 21 HB2 HIS 21 2.621 3.954 0.835
171 HB3 HIS 21 HB3 HIS 21 2.138 5.316 1.846
172 HD1 HIS 21 HD1 HIS 21 2.691 2.850 4.249
173 HD2 HIS 21 HD2 HIS 21 5.294 5.038 1.839
174 HE1 HIS 21 HE1 HIS 21 4.957 2.762 5.377
175 H ASN 22 H ASN 22 0.034 2.406 4.358
176 HA ASN 22 HA ASN 22 -1.070 4.869 5.411
177 HB2 ASN 22 HB2 ASN 22 -2.407 2.826 5.478
178 HB3 ASN 22 HB3 ASN 22 -1.177 2.035 6.462
179 HD21 ASN 22 HD21 ASN 22 -4.021 3.930 6.616
180 HD22 ASN 22 HD22 ASN 22 -3.921 4.359 8.255
181 H THR 23 H THR 23 -0.150 6.134 6.865
182 HA THR 23 HA THR 23 2.214 5.140 8.315
183 HB THR 23 HB THR 23 2.246 7.768 8.834
184 HG1 THR 23 HG1 THR 23 1.437 8.879 7.068
185 HG21 THR 23 HG21 THR 23 3.094 6.611 6.165
186 HG22 THR 23 HG22 THR 23 3.979 6.376 7.673
187 HG23 THR 23 HG23 THR 23 3.808 7.994 6.993
188 H GLY 24 H GLY 24 -1.072 6.017 8.714
189 HA2 GLY 24 HA2 GLY 24 -2.412 6.331 10.567
190 HA3 GLY 24 HA3 GLY 24 -1.350 5.142 11.314
191 H MET 25 H MET 25 0.438 5.854 12.554
192 HA MET 25 HA MET 25 0.257 8.685 13.393
193 HB2 MET 25 HB2 MET 25 0.934 6.221 15.013
194 HB3 MET 25 HB3 MET 25 1.125 7.872 15.605
195 HG2 MET 25 HG2 MET 25 -1.514 7.215 14.412
196 HG3 MET 25 HG3 MET 25 -1.145 6.440 15.953
197 HE1 MET 25 HE1 MET 25 -3.526 9.320 16.834
198 HE2 MET 25 HE2 MET 25 -3.402 7.715 16.120
199 HE3 MET 25 HE3 MET 25 -3.387 9.137 15.079
200 HA PRO 26 HA PRO 26 4.459 9.069 12.092
201 HB2 PRO 26 HB2 PRO 26 5.229 11.167 13.688
202 HB3 PRO 26 HB3 PRO 26 4.216 11.350 12.244
203 HG2 PRO 26 HG2 PRO 26 3.430 11.287 15.111
204 HG3 PRO 26 HG3 PRO 26 2.796 12.278 13.786
205 HD2 PRO 26 HD2 PRO 26 1.498 10.064 14.735
206 HD3 PRO 26 HD3 PRO 26 1.362 10.619 13.051
207 H PHE 27 H PHE 27 6.042 7.691 12.629
208 HA PHE 27 HA PHE 27 6.479 6.204 14.794
209 HB2 PHE 27 HB2 PHE 27 8.792 7.673 13.523
210 HB3 PHE 27 HB3 PHE 27 8.798 6.063 14.243
211 HD1 PHE 27 HD2 PHE 27 7.712 4.166 13.109
212 HD2 PHE 27 HD1 PHE 27 7.878 8.061 11.307
213 HE1 PHE 27 HE2 PHE 27 7.089 3.179 10.921
214 HE2 PHE 27 HE1 PHE 27 7.254 7.074 9.118
215 HZ PHE 27 HZ PHE 27 6.860 4.633 8.926
216 H ARG 28 H ARG 28 5.967 6.980 16.796
217 HA ARG 28 HA ARG 28 7.651 9.183 17.831
218 HB2 ARG 28 HB2 ARG 28 4.936 9.217 17.675
219 HB3 ARG 28 HB3 ARG 28 5.165 8.533 19.285
220 HG2 ARG 28 HG2 ARG 28 5.155 10.863 19.670
221 HG3 ARG 28 HG3 ARG 28 6.871 10.454 19.631
222 HD2 ARG 28 HD2 ARG 28 6.462 10.921 17.002
223 HD3 ARG 28 HD3 ARG 28 5.248 12.000 17.682
224 HE ARG 28 HE ARG 28 8.111 12.329 17.819
225 HH11 ARG 28 HH21 ARG 28 5.061 12.984 19.318
226 HH12 ARG 28 HH22 ARG 28 5.612 14.408 20.134
227 HH21 ARG 28 HH11 ARG 28 8.840 14.197 18.883
228 HH22 ARG 28 HH12 ARG 28 7.752 15.095 19.887
229 H ASN 29 H ASN 29 6.289 5.999 18.402
230 HA ASN 29 HA ASN 29 8.422 5.323 20.201
231 HB2 ASN 29 HB2 ASN 29 5.682 5.916 21.267
232 HB3 ASN 29 HB3 ASN 29 6.663 4.661 22.023
233 HD21 ASN 29 HD21 ASN 29 9.230 5.722 21.916
234 HD22 ASN 29 HD22 ASN 29 9.296 7.184 22.776
235 H LEU 30 H LEU 30 6.924 4.459 17.719
236 HA LEU 30 HA LEU 30 7.174 1.666 18.086
237 HB2 LEU 30 HB2 LEU 30 4.749 1.080 17.767
238 HB3 LEU 30 HB3 LEU 30 5.126 1.775 19.343
239 HG LEU 30 HG LEU 30 4.581 3.976 17.678
240 HD11 LEU 30 HD11 LEU 30 2.682 1.662 17.224
241 HD12 LEU 30 HD12 LEU 30 3.521 2.625 16.008
242 HD13 LEU 30 HD13 LEU 30 2.219 3.342 16.956
243 HD21 LEU 30 HD21 LEU 30 3.059 2.509 19.838
244 HD22 LEU 30 HD22 LEU 30 2.431 3.989 19.111
245 HD23 LEU 30 HD23 LEU 30 3.971 4.013 19.971
246 H LYS 31 H LYS 31 5.916 0.514 16.153
247 HA LYS 31 HA LYS 31 6.250 2.219 13.759
248 HB2 LYS 31 HB2 LYS 31 7.022 -0.685 14.129
249 HB3 LYS 31 HB3 LYS 31 7.046 0.168 12.585
250 HG2 LYS 31 HG2 LYS 31 8.428 1.635 14.710
251 HG3 LYS 31 HG3 LYS 31 9.147 0.057 14.390
252 HD2 LYS 31 HD2 LYS 31 9.135 0.638 11.935
253 HD3 LYS 31 HD3 LYS 31 8.637 2.270 12.386
254 HE2 LYS 31 HE2 LYS 31 11.184 0.868 13.247
255 HE3 LYS 31 HE3 LYS 31 11.063 2.216 12.116
256 HZ1 LYS 31 HZ1 LYS 31 10.891 3.674 13.770
257 HZ2 LYS 31 HZ2 LYS 31 11.434 2.430 14.794
258 HZ3 LYS 31 HZ3 LYS 31 9.770 2.730 14.623
259 H LEU 32 H LEU 32 3.909 2.563 14.074
260 HA LEU 32 HA LEU 32 2.053 0.416 13.857
261 HB2 LEU 32 HB2 LEU 32 1.957 3.253 14.187
262 HB3 LEU 32 HB3 LEU 32 0.899 2.817 12.845
263 HG LEU 32 HG LEU 32 0.854 1.513 15.583
264 HD11 LEU 32 HD11 LEU 32 -1.586 2.792 15.045
265 HD12 LEU 32 HD12 LEU 32 -0.349 3.951 14.555
266 HD13 LEU 32 HD13 LEU 32 -0.358 3.312 16.199
267 HD21 LEU 32 HD21 LEU 32 -0.274 -0.114 14.493
268 HD22 LEU 32 HD22 LEU 32 -0.261 0.810 12.991
269 HD23 LEU 32 HD23 LEU 32 -1.540 1.070 14.177
270 H ILE 33 H ILE 33 4.158 0.363 11.829
271 HA ILE 33 HA ILE 33 3.507 1.220 9.310
272 HB ILE 33 HB ILE 33 5.532 -0.096 9.875
273 HG12 ILE 33 HG12 ILE 33 5.069 -1.798 7.808
274 HG13 ILE 33 HG13 ILE 33 3.747 -0.655 7.572
275 HG21 ILE 33 HG21 ILE 33 5.466 -2.365 10.386
276 HG22 ILE 33 HG22 ILE 33 3.908 -2.602 9.594
277 HG23 ILE 33 HG23 ILE 33 3.986 -1.806 11.166
278 HD11 ILE 33 HD11 ILE 33 5.423 1.212 7.719
279 HD12 ILE 33 HD12 ILE 33 5.668 0.150 6.333
280 HD13 ILE 33 HD13 ILE 33 6.701 -0.003 7.755
281 H LEU 34 H LEU 34 1.866 0.899 7.926
282 HA LEU 34 HA LEU 34 0.216 -1.521 8.213
283 HB2 LEU 34 HB2 LEU 34 -0.663 1.302 8.553
284 HB3 LEU 34 HB3 LEU 34 -1.742 0.215 7.679
285 HG LEU 34 HG LEU 34 -0.555 -0.841 10.192
286 HD11 LEU 34 HD11 LEU 34 -1.122 1.431 10.889
287 HD12 LEU 34 HD12 LEU 34 -2.312 0.306 11.544
288 HD13 LEU 34 HD13 LEU 34 -2.712 1.292 10.137
289 HD21 LEU 34 HD21 LEU 34 -2.889 -1.732 10.389
290 HD22 LEU 34 HD22 LEU 34 -2.102 -2.192 8.878
291 HD23 LEU 34 HD23 LEU 34 -3.296 -0.894 8.891
292 H GLN 35 H GLN 35 2.246 -0.485 6.260
293 HA GLN 35 HA GLN 35 0.918 0.310 3.877
294 HB2 GLN 35 HB2 GLN 35 3.030 -0.351 2.756
295 HB3 GLN 35 HB3 GLN 35 3.316 0.663 4.171
296 HG2 GLN 35 HG2 GLN 35 3.696 -1.410 5.517
297 HG3 GLN 35 HG3 GLN 35 3.551 -2.355 4.037
298 HE21 GLN 35 HE21 GLN 35 5.980 -2.313 5.583
299 HE22 GLN 35 HE22 GLN 35 7.178 -1.552 4.652
300 H GLY 36 H GLY 36 -0.117 -0.846 2.357
301 HA2 GLY 36 HA2 GLY 36 0.349 -3.641 1.906
302 HA3 GLY 36 HA3 GLY 36 -1.162 -3.357 2.762
303 H CYS 37 H CYS 37 -2.333 -4.174 0.952
304 HA CYS 37 HA CYS 37 -2.490 -2.256 -1.290
305 HB2 CYS 37 HB2 CYS 37 -3.347 -5.028 -1.819
306 HB3 CYS 37 HB3 CYS 37 -2.442 -3.913 -2.840
307 H SER 38 H SER 38 -4.610 -2.358 -2.443
308 HA SER 38 HA SER 38 -6.893 -3.340 -0.962
309 HB2 SER 38 HB2 SER 38 -6.522 -1.303 0.290
310 HB3 SER 38 HB3 SER 38 -6.361 -0.369 -1.195
311 HG SER 38 HG SER 38 -8.639 -1.676 -1.351
312 H SER 39 H SER 39 -8.971 -2.592 -2.089
313 HA SER 39 HA SER 39 -8.500 -2.730 -4.992
314 HB2 SER 39 HB2 SER 39 -10.074 -4.329 -4.813
315 HB3 SER 39 HB3 SER 39 -10.481 -3.844 -3.170
316 HG SER 39 HG SER 39 -11.250 -2.159 -5.254
317 H SER 40 H SER 40 -9.538 -0.619 -2.513
318 HA SER 40 HA SER 40 -10.186 1.427 -4.507
319 HB2 SER 40 HB2 SER 40 -12.034 0.592 -2.264
320 HB3 SER 40 HB3 SER 40 -12.189 2.114 -3.139
321 HG SER 40 HG SER 40 -12.322 0.838 -5.070
322 H CYS 41 H CYS 41 -7.857 1.204 -3.038
323 HA CYS 41 HA CYS 41 -7.457 2.233 -0.607
324 HB2 CYS 41 HB2 CYS 41 -5.619 1.826 -2.167
325 HB3 CYS 41 HB3 CYS 41 -6.091 3.233 -3.118
326 H SER 42 H SER 42 -7.678 4.119 0.513
327 HA SER 42 HA SER 42 -9.208 6.260 -0.826
328 HB2 SER 42 HB2 SER 42 -9.381 4.986 1.790
329 HB3 SER 42 HB3 SER 42 -9.299 6.742 1.907
330 HG SER 42 HG SER 42 -11.009 5.389 0.097
331 H GLU 43 H GLU 43 -7.121 7.022 -1.706
332 HA GLU 43 HA GLU 43 -4.860 7.812 -0.480
333 HB2 GLU 43 HB2 GLU 43 -5.863 8.358 -2.884
334 HB3 GLU 43 HB3 GLU 43 -6.171 9.923 -2.129
335 HG2 GLU 43 HG2 GLU 43 -3.626 9.456 -1.284
336 HG3 GLU 43 HG3 GLU 43 -3.599 8.649 -2.851
337 H THR 44 H THR 44 -4.301 9.003 1.216
338 HA THR 44 HA THR 44 -5.737 11.407 1.937
339 HB THR 44 HB THR 44 -5.669 9.985 4.379
340 HG1 THR 44 HG1 THR 44 -7.391 8.538 2.831
341 HG21 THR 44 HG21 THR 44 -7.858 10.906 2.513
342 HG22 THR 44 HG22 THR 44 -7.281 11.690 3.984
343 HG23 THR 44 HG23 THR 44 -8.204 10.191 4.087
344 H GLU 45 H GLU 45 -4.759 12.280 4.085
345 HA GLU 45 HA GLU 45 -1.983 12.597 3.705
346 HB2 GLU 45 HB2 GLU 45 -3.531 14.206 4.883
347 HB3 GLU 45 HB3 GLU 45 -3.495 13.118 6.271
348 HG2 GLU 45 HG2 GLU 45 -1.649 14.246 6.922
349 HG3 GLU 45 HG3 GLU 45 -0.815 13.393 5.624
350 H ASN 46 H ASN 46 -3.857 10.513 5.859
351 HA ASN 46 HA ASN 46 -1.431 9.446 7.082
352 HB2 ASN 46 HB2 ASN 46 -3.983 9.826 8.024
353 HB3 ASN 46 HB3 ASN 46 -3.975 8.101 7.661
354 HD21 ASN 46 HD21 ASN 46 -0.884 8.237 8.164
355 HD22 ASN 46 HD22 ASN 46 -0.774 8.165 9.856
356 H ASN 47 H ASN 47 -3.953 8.501 4.813
357 HA ASN 47 HA ASN 47 -2.381 6.078 4.180
358 HB2 ASN 47 HB2 ASN 47 -4.296 5.189 5.196
359 HB3 ASN 47 HB3 ASN 47 -5.350 6.415 4.496
360 HD21 ASN 47 HD21 ASN 47 -5.794 6.236 2.121
361 HD22 ASN 47 HD22 ASN 47 -5.657 4.725 1.359
362 H LYS 48 H LYS 48 -1.393 6.561 2.322
363 HA LYS 48 HA LYS 48 -2.726 8.195 0.308
364 HB2 LYS 48 HB2 LYS 48 0.007 6.892 0.282
365 HB3 LYS 48 HB3 LYS 48 -0.588 8.074 -0.885
366 HG2 LYS 48 HG2 LYS 48 -0.224 9.814 0.520
367 HG3 LYS 48 HG3 LYS 48 -0.878 8.941 1.907
368 HD2 LYS 48 HD2 LYS 48 1.476 9.345 2.317
369 HD3 LYS 48 HD3 LYS 48 1.263 7.623 1.998
370 HE2 LYS 48 HE2 LYS 48 3.188 8.442 0.739
371 HE3 LYS 48 HE3 LYS 48 1.892 8.022 -0.382
372 HZ1 LYS 48 HZ1 LYS 48 3.181 10.380 -0.348
373 HZ2 LYS 48 HZ2 LYS 48 1.802 10.739 0.578
374 HZ3 LYS 48 HZ3 LYS 48 1.634 10.138 -1.001
375 H CYS 49 H CYS 49 -1.822 7.189 -2.043
376 HA CYS 49 HA CYS 49 -2.648 4.387 -2.245
377 HB2 CYS 49 HB2 CYS 49 -4.046 6.597 -3.773
378 HB3 CYS 49 HB3 CYS 49 -4.333 4.865 -3.952
379 H CYS 50 H CYS 50 -1.651 3.338 -3.859
380 HA CYS 50 HA CYS 50 -0.009 4.938 -5.729
381 HB2 CYS 50 HB2 CYS 50 0.667 2.715 -3.958
382 HB3 CYS 50 HB3 CYS 50 1.150 2.430 -5.628
383 H SER 51 H SER 51 0.808 2.949 -7.415
384 HA SER 51 HA SER 51 -1.691 1.783 -8.467
385 HB2 SER 51 HB2 SER 51 0.343 3.462 -9.920
386 HB3 SER 51 HB3 SER 51 -0.682 2.318 -10.780
387 HG SER 51 HG SER 51 -2.263 3.677 -10.578
388 H THR 52 H THR 52 0.454 0.595 -6.915
389 HA THR 52 HA THR 52 1.450 -1.476 -6.879
390 HB THR 52 HB THR 52 -0.244 -1.623 -9.053
391 HG1 THR 52 HG1 THR 52 0.950 -3.190 -7.296
392 HG21 THR 52 HG21 THR 52 0.937 -2.644 -10.863
393 HG22 THR 52 HG22 THR 52 2.427 -2.740 -9.925
394 HG23 THR 52 HG23 THR 52 1.833 -1.176 -10.478
395 H ASP 53 H ASP 53 3.426 -2.556 -7.703
396 HA ASP 53 HA ASP 53 5.565 -2.554 -8.598
397 HB2 ASP 53 HB2 ASP 53 4.288 -0.923 -10.358
398 HB3 ASP 53 HB3 ASP 53 5.452 0.201 -9.659
399 H ARG 54 H ARG 54 5.562 -2.256 -6.087
400 HA ARG 54 HA ARG 54 6.319 -1.131 -4.194
401 HB2 ARG 54 HB2 ARG 54 8.701 -0.576 -4.393
402 HB3 ARG 54 HB3 ARG 54 8.347 -2.102 -5.203
403 HG2 ARG 54 HG2 ARG 54 8.402 -1.082 -7.362
404 HG3 ARG 54 HG3 ARG 54 8.377 0.541 -6.671
405 HD2 ARG 54 HD2 ARG 54 10.615 0.559 -6.436
406 HD3 ARG 54 HD3 ARG 54 10.600 -1.001 -5.620
407 HE ARG 54 HE ARG 54 11.030 -2.042 -7.677
408 HH11 ARG 54 HH21 ARG 54 10.340 1.330 -8.023
409 HH12 ARG 54 HH22 ARG 54 10.857 1.409 -9.674
410 HH21 ARG 54 HH11 ARG 54 11.707 -1.949 -9.843
411 HH22 ARG 54 HH12 ARG 54 11.632 -0.447 -10.705
412 H CYS 55 H CYS 55 4.807 0.523 -6.250
413 HA CYS 55 HA CYS 55 5.897 3.115 -6.385
414 HB2 CYS 55 HB2 CYS 55 4.104 2.690 -7.842
415 HB3 CYS 55 HB3 CYS 55 3.094 2.038 -6.553
416 H ASN 56 H ASN 56 4.515 1.378 -3.768
417 HA ASN 56 HA ASN 56 3.503 3.538 -2.235
418 HB2 ASN 56 HB2 ASN 56 3.815 0.722 -1.925
419 HB3 ASN 56 HB3 ASN 56 4.536 1.500 -0.516
420 HD21 ASN 56 HD21 ASN 56 1.684 2.436 -2.521
421 HD22 ASN 56 HD22 ASN 56 0.603 2.481 -1.213
422 H LYS 57 H LYS 57 6.440 3.409 -3.411
423 HA LYS 57 HA LYS 57 7.899 4.094 -0.956
424 HB2 LYS 57 HB2 LYS 57 9.896 3.847 -2.216
425 HB3 LYS 57 HB3 LYS 57 8.851 2.520 -2.724
426 HG2 LYS 57 HG2 LYS 57 8.101 3.915 -4.662
427 HG3 LYS 57 HG3 LYS 57 9.274 5.143 -4.186
428 HD2 LYS 57 HD2 LYS 57 10.553 2.554 -4.286
429 HD3 LYS 57 HD3 LYS 57 9.737 2.878 -5.815
430 HE2 LYS 57 HE2 LYS 57 10.835 5.192 -5.739
431 HE3 LYS 57 HE3 LYS 57 11.847 4.553 -4.444
432 HZ1 LYS 57 HZ1 LYS 57 12.432 4.348 -7.045
433 HZ2 LYS 57 HZ2 LYS 57 11.642 2.867 -6.786
434 HZ3 LYS 57 HZ3 LYS 57 13.004 3.280 -5.858
Start of MODEL 18
1 H1 LEU 1 H1 LEU 1 -0.328 -3.347 -8.355
2 H2 LEU 1 H2 LEU 1 0.360 -3.600 -9.888
3 H3 LEU 1 H3 LEU 1 1.325 -3.698 -8.493
4 HA LEU 1 HA LEU 1 -0.985 -5.480 -8.669
5 HB2 LEU 1 HB2 LEU 1 0.271 -5.463 -10.919
6 HB3 LEU 1 HB3 LEU 1 1.623 -6.165 -10.030
7 HG LEU 1 HG LEU 1 -0.340 -7.781 -9.149
8 HD11 LEU 1 HD11 LEU 1 -1.774 -6.323 -10.918
9 HD12 LEU 1 HD12 LEU 1 -2.129 -8.014 -10.561
10 HD13 LEU 1 HD13 LEU 1 -1.186 -7.594 -11.991
11 HD21 LEU 1 HD21 LEU 1 1.477 -8.879 -10.072
12 HD22 LEU 1 HD22 LEU 1 1.480 -7.877 -11.522
13 HD23 LEU 1 HD23 LEU 1 0.289 -9.167 -11.343
14 H LYS 2 H LYS 2 2.082 -4.388 -7.545
15 HA LYS 2 HA LYS 2 1.930 -6.226 -5.285
16 HB2 LYS 2 HB2 LYS 2 3.940 -7.321 -5.604
17 HB3 LYS 2 HB3 LYS 2 3.382 -7.181 -7.270
18 HG2 LYS 2 HG2 LYS 2 4.665 -4.930 -7.298
19 HG3 LYS 2 HG3 LYS 2 5.468 -5.532 -5.848
20 HD2 LYS 2 HD2 LYS 2 6.874 -6.222 -7.629
21 HD3 LYS 2 HD3 LYS 2 5.948 -7.664 -7.213
22 HE2 LYS 2 HE2 LYS 2 5.241 -7.765 -9.346
23 HE3 LYS 2 HE3 LYS 2 4.381 -6.246 -9.090
24 HZ1 LYS 2 HZ1 LYS 2 5.823 -5.212 -10.388
25 HZ2 LYS 2 HZ2 LYS 2 6.574 -6.696 -10.728
26 HZ3 LYS 2 HZ3 LYS 2 7.129 -5.736 -9.442
27 H CYS 3 H CYS 3 3.450 -5.642 -3.564
28 HA CYS 3 HA CYS 3 4.912 -3.179 -3.698
29 HB2 CYS 3 HB2 CYS 3 3.026 -2.657 -1.620
30 HB3 CYS 3 HB3 CYS 3 3.342 -1.713 -3.076
31 H TYR 4 H TYR 4 5.166 -2.471 -1.135
32 HA TYR 4 HA TYR 4 6.408 -4.825 0.062
33 HB2 TYR 4 HB2 TYR 4 6.626 -1.865 0.464
34 HB3 TYR 4 HB3 TYR 4 7.164 -2.958 1.737
35 HD1 TYR 4 HD2 TYR 4 8.856 -4.760 1.172
36 HD2 TYR 4 HD1 TYR 4 7.934 -1.519 -1.487
37 HE1 TYR 4 HE2 TYR 4 10.960 -5.179 -0.066
38 HE2 TYR 4 HE1 TYR 4 10.037 -1.938 -2.728
39 HH TYR 4 HH TYR 4 11.623 -3.725 -3.106
40 H GLN 5 H GLN 5 4.721 -5.980 0.906
41 HA GLN 5 HA GLN 5 2.832 -4.665 2.706
42 HB2 GLN 5 HB2 GLN 5 2.279 -6.524 0.976
43 HB3 GLN 5 HB3 GLN 5 2.919 -7.622 2.198
44 HG2 GLN 5 HG2 GLN 5 1.347 -6.618 3.861
45 HG3 GLN 5 HG3 GLN 5 0.653 -5.644 2.566
46 HE21 GLN 5 HE21 GLN 5 0.654 -8.798 4.035
47 HE22 GLN 5 HE22 GLN 5 -0.434 -9.524 2.953
48 H HIS 6 H HIS 6 5.410 -7.110 2.846
49 HA HIS 6 HA HIS 6 5.411 -6.766 5.786
50 HB2 HIS 6 HB2 HIS 6 4.614 -9.061 4.614
51 HB3 HIS 6 HB3 HIS 6 6.351 -9.356 4.695
52 HD1 HIS 6 HD1 HIS 6 4.549 -7.292 7.276
53 HD2 HIS 6 HD2 HIS 6 6.191 -11.108 6.918
54 HE1 HIS 6 HE1 HIS 6 4.571 -8.284 9.607
55 H GLY 7 H GLY 7 6.993 -5.164 4.229
56 HA2 GLY 7 HA2 GLY 7 9.190 -4.427 4.263
57 HA3 GLY 7 HA3 GLY 7 9.623 -5.880 5.160
58 H LYS 8 H LYS 8 7.908 -6.963 2.613
59 HA LYS 8 HA LYS 8 10.213 -7.064 0.774
60 HB2 LYS 8 HB2 LYS 8 8.552 -9.509 0.970
61 HB3 LYS 8 HB3 LYS 8 10.290 -9.340 0.717
62 HG2 LYS 8 HG2 LYS 8 10.477 -8.625 3.137
63 HG3 LYS 8 HG3 LYS 8 8.785 -9.080 3.331
64 HD2 LYS 8 HD2 LYS 8 9.261 -11.299 3.331
65 HD3 LYS 8 HD3 LYS 8 10.419 -11.138 2.009
66 HE2 LYS 8 HE2 LYS 8 12.069 -10.187 3.621
67 HE3 LYS 8 HE3 LYS 8 10.920 -10.478 4.926
68 HZ1 LYS 8 HZ1 LYS 8 12.142 -12.386 4.997
69 HZ2 LYS 8 HZ2 LYS 8 12.446 -12.404 3.325
70 HZ3 LYS 8 HZ3 LYS 8 10.924 -12.870 3.920
71 H VAL 9 H VAL 9 9.622 -7.603 -1.432
72 HA VAL 9 HA VAL 9 7.201 -6.284 -2.240
73 HB VAL 9 HB VAL 9 9.092 -7.915 -3.950
74 HG11 VAL 9 HG11 VAL 9 7.499 -5.490 -4.759
75 HG12 VAL 9 HG12 VAL 9 6.751 -7.087 -4.757
76 HG13 VAL 9 HG13 VAL 9 8.154 -6.773 -5.777
77 HG21 VAL 9 HG21 VAL 9 9.298 -5.180 -2.753
78 HG22 VAL 9 HG22 VAL 9 9.892 -5.412 -4.396
79 HG23 VAL 9 HG23 VAL 9 10.569 -6.359 -3.073
80 H VAL 10 H VAL 10 5.339 -7.330 -1.789
81 HA VAL 10 HA VAL 10 5.145 -10.178 -2.568
82 HB VAL 10 HB VAL 10 3.624 -10.532 -0.855
83 HG11 VAL 10 HG11 VAL 10 5.157 -8.197 0.303
84 HG12 VAL 10 HG12 VAL 10 5.922 -9.746 -0.044
85 HG13 VAL 10 HG13 VAL 10 4.611 -9.655 1.133
86 HG21 VAL 10 HG21 VAL 10 2.001 -8.837 -1.429
87 HG22 VAL 10 HG22 VAL 10 3.110 -7.546 -0.967
88 HG23 VAL 10 HG23 VAL 10 2.426 -8.603 0.268
89 H THR 11 H THR 11 3.413 -10.876 -3.811
90 HA THR 11 HA THR 11 2.082 -8.761 -5.355
91 HB THR 11 HB THR 11 3.308 -10.537 -6.582
92 HG1 THR 11 HG1 THR 11 1.259 -11.247 -7.746
93 HG21 THR 11 HG21 THR 11 2.458 -12.246 -4.708
94 HG22 THR 11 HG22 THR 11 2.861 -12.782 -6.339
95 HG23 THR 11 HG23 THR 11 1.177 -12.506 -5.894
96 H CYS 12 H CYS 12 0.346 -8.118 -4.160
97 HA CYS 12 HA CYS 12 -1.295 -9.707 -2.554
98 HB2 CYS 12 HB2 CYS 12 -2.649 -7.515 -3.990
99 HB3 CYS 12 HB3 CYS 12 -2.495 -7.808 -2.257
100 H HIS 13 H HIS 13 -3.853 -9.600 -3.230
101 HA HIS 13 HA HIS 13 -4.251 -11.761 -4.959
102 HB2 HIS 13 HB2 HIS 13 -6.046 -9.663 -3.786
103 HB3 HIS 13 HB3 HIS 13 -6.681 -10.793 -4.980
104 HD1 HIS 13 HD1 HIS 13 -4.728 -13.167 -3.947
105 HD2 HIS 13 HD2 HIS 13 -7.426 -10.972 -1.649
106 HE1 HIS 13 HE1 HIS 13 -5.273 -14.593 -1.926
107 H ARG 14 H ARG 14 -5.743 -11.642 -6.920
108 HA ARG 14 HA ARG 14 -4.456 -10.099 -8.944
109 HB2 ARG 14 HB2 ARG 14 -6.881 -11.886 -8.901
110 HB3 ARG 14 HB3 ARG 14 -6.414 -11.000 -10.353
111 HG2 ARG 14 HG2 ARG 14 -4.157 -12.370 -9.080
112 HG3 ARG 14 HG3 ARG 14 -5.426 -13.476 -9.601
113 HD2 ARG 14 HD2 ARG 14 -5.212 -12.889 -11.839
114 HD3 ARG 14 HD3 ARG 14 -4.548 -11.301 -11.466
115 HE ARG 14 HE ARG 14 -3.070 -13.815 -11.614
116 HH11 ARG 14 HH21 ARG 14 -3.188 -10.487 -10.676
117 HH12 ARG 14 HH22 ARG 14 -1.467 -10.293 -10.636
118 HH21 ARG 14 HH11 ARG 14 -0.811 -13.570 -11.563
119 HH22 ARG 14 HH12 ARG 14 -0.121 -12.039 -11.140
120 H ASP 15 H ASP 15 -7.134 -9.539 -6.851
121 HA ASP 15 HA ASP 15 -8.471 -7.595 -8.492
122 HB2 ASP 15 HB2 ASP 15 -8.655 -8.397 -5.596
123 HB3 ASP 15 HB3 ASP 15 -9.536 -7.001 -6.215
124 H MET 16 H MET 16 -6.722 -7.229 -5.398
125 HA MET 16 HA MET 16 -6.513 -4.508 -5.287
126 HB2 MET 16 HB2 MET 16 -4.717 -6.725 -4.391
127 HB3 MET 16 HB3 MET 16 -4.159 -5.062 -4.248
128 HG2 MET 16 HG2 MET 16 -5.674 -4.547 -2.618
129 HG3 MET 16 HG3 MET 16 -6.927 -5.570 -3.320
130 HE1 MET 16 HE1 MET 16 -6.902 -7.053 0.054
131 HE2 MET 16 HE2 MET 16 -7.728 -7.538 -1.425
132 HE3 MET 16 HE3 MET 16 -7.516 -5.826 -1.062
133 H LYS 17 H LYS 17 -5.850 -3.081 -6.746
134 HA LYS 17 HA LYS 17 -3.504 -3.766 -8.413
135 HB2 LYS 17 HB2 LYS 17 -5.923 -3.493 -9.476
136 HB3 LYS 17 HB3 LYS 17 -5.517 -1.779 -9.367
137 HG2 LYS 17 HG2 LYS 17 -3.195 -2.736 -10.381
138 HG3 LYS 17 HG3 LYS 17 -4.327 -3.899 -11.070
139 HD2 LYS 17 HD2 LYS 17 -5.586 -2.181 -12.153
140 HD3 LYS 17 HD3 LYS 17 -4.773 -0.912 -11.236
141 HE2 LYS 17 HE2 LYS 17 -2.599 -1.757 -12.327
142 HE3 LYS 17 HE3 LYS 17 -3.642 -2.637 -13.443
143 HZ1 LYS 17 HZ1 LYS 17 -3.023 0.147 -13.357
144 HZ2 LYS 17 HZ2 LYS 17 -4.701 -0.119 -13.347
145 HZ3 LYS 17 HZ3 LYS 17 -3.744 -0.758 -14.597
146 H PHE 18 H PHE 18 -4.503 -1.945 -5.893
147 HA PHE 18 HA PHE 18 -2.611 0.221 -6.565
148 HB2 PHE 18 HB2 PHE 18 -5.147 0.526 -4.953
149 HB3 PHE 18 HB3 PHE 18 -3.998 1.802 -5.345
150 HD1 PHE 18 HD2 PHE 18 -6.375 -0.647 -6.850
151 HD2 PHE 18 HD1 PHE 18 -4.085 2.942 -7.423
152 HE1 PHE 18 HE2 PHE 18 -7.548 -0.239 -8.997
153 HE2 PHE 18 HE1 PHE 18 -5.259 3.350 -9.568
154 HZ PHE 18 HZ PHE 18 -6.991 1.759 -10.357
155 H CYS 19 H CYS 19 -1.114 0.700 -5.071
156 HA CYS 19 HA CYS 19 -1.152 -0.882 -2.585
157 HB2 CYS 19 HB2 CYS 19 1.160 0.624 -3.817
158 HB3 CYS 19 HB3 CYS 19 1.237 -0.502 -2.465
159 H TYR 20 H TYR 20 -1.334 0.098 -0.639
160 HA TYR 20 HA TYR 20 -1.318 3.052 -0.650
161 HB2 TYR 20 HB2 TYR 20 -3.057 3.056 0.972
162 HB3 TYR 20 HB3 TYR 20 -3.550 1.918 -0.281
163 HD1 TYR 20 HD1 TYR 20 -3.350 -0.536 0.101
164 HD2 TYR 20 HD2 TYR 20 -2.537 2.321 3.204
165 HE1 TYR 20 HE1 TYR 20 -3.515 -2.334 1.801
166 HE2 TYR 20 HE2 TYR 20 -2.701 0.522 4.904
167 HH TYR 20 HH TYR 20 -2.454 -1.950 4.991
168 H HIS 21 H HIS 21 -0.529 4.153 1.125
169 HA HIS 21 HA HIS 21 1.161 2.585 2.978
170 HB2 HIS 21 HB2 HIS 21 2.254 4.045 1.046
171 HB3 HIS 21 HB3 HIS 21 1.939 5.356 2.180
172 HD1 HIS 21 HD1 HIS 21 4.843 4.352 1.509
173 HD2 HIS 21 HD2 HIS 21 2.613 3.150 4.820
174 HE1 HIS 21 HE1 HIS 21 6.507 3.545 3.239
175 H ASN 22 H ASN 22 0.059 2.716 4.866
176 HA ASN 22 HA ASN 22 -1.399 5.128 5.571
177 HB2 ASN 22 HB2 ASN 22 -1.625 2.420 6.228
178 HB3 ASN 22 HB3 ASN 22 -1.105 3.201 7.720
179 HD21 ASN 22 HD21 ASN 22 -3.871 2.294 6.209
180 HD22 ASN 22 HD22 ASN 22 -4.918 3.518 6.745
181 H THR 23 H THR 23 -0.723 6.715 6.875
182 HA THR 23 HA THR 23 1.925 6.410 8.146
183 HB THR 23 HB THR 23 2.324 8.658 7.772
184 HG1 THR 23 HG1 THR 23 0.093 9.056 8.760
185 HG21 THR 23 HG21 THR 23 0.352 7.902 5.599
186 HG22 THR 23 HG22 THR 23 2.078 7.544 5.601
187 HG23 THR 23 HG23 THR 23 1.524 9.215 5.495
188 H GLY 24 H GLY 24 -1.417 6.748 8.753
189 HA2 GLY 24 HA2 GLY 24 -2.614 6.837 10.719
190 HA3 GLY 24 HA3 GLY 24 -1.104 6.517 11.566
191 H MET 25 H MET 25 -2.030 8.031 13.162
192 HA MET 25 HA MET 25 -1.592 10.851 12.381
193 HB2 MET 25 HB2 MET 25 -3.694 9.535 13.986
194 HB3 MET 25 HB3 MET 25 -3.056 11.036 14.659
195 HG2 MET 25 HG2 MET 25 -3.768 10.926 11.746
196 HG3 MET 25 HG3 MET 25 -5.051 11.117 12.939
197 HE1 MET 25 HE1 MET 25 -5.878 13.480 13.461
198 HE2 MET 25 HE2 MET 25 -5.685 13.167 11.738
199 HE3 MET 25 HE3 MET 25 -5.201 14.726 12.404
200 HA PRO 26 HA PRO 26 1.998 9.940 15.086
201 HB2 PRO 26 HB2 PRO 26 2.374 12.825 14.396
202 HB3 PRO 26 HB3 PRO 26 3.553 11.500 14.388
203 HG2 PRO 26 HG2 PRO 26 2.501 12.449 12.130
204 HG3 PRO 26 HG3 PRO 26 2.882 10.731 12.337
205 HD2 PRO 26 HD2 PRO 26 0.225 12.071 12.286
206 HD3 PRO 26 HD3 PRO 26 0.658 10.404 11.849
207 H PHE 27 H PHE 27 0.329 9.813 16.833
208 HA PHE 27 HA PHE 27 0.392 12.259 18.492
209 HB2 PHE 27 HB2 PHE 27 -1.916 10.829 17.468
210 HB3 PHE 27 HB3 PHE 27 -1.912 10.845 19.232
211 HD1 PHE 27 HD1 PHE 27 -1.481 13.083 16.262
212 HD2 PHE 27 HD2 PHE 27 -2.575 12.771 20.404
213 HE1 PHE 27 HE1 PHE 27 -2.216 15.452 16.247
214 HE2 PHE 27 HE2 PHE 27 -3.311 15.139 20.388
215 HZ PHE 27 HZ PHE 27 -3.131 16.480 18.311
216 H ARG 28 H ARG 28 -1.112 9.168 19.239
217 HA ARG 28 HA ARG 28 0.766 8.862 21.485
218 HB2 ARG 28 HB2 ARG 28 -0.969 7.095 22.187
219 HB3 ARG 28 HB3 ARG 28 -1.460 8.787 22.270
220 HG2 ARG 28 HG2 ARG 28 -2.766 8.634 20.316
221 HG3 ARG 28 HG3 ARG 28 -1.956 7.161 19.781
222 HD2 ARG 28 HD2 ARG 28 -4.284 6.824 20.734
223 HD3 ARG 28 HD3 ARG 28 -3.020 5.851 21.480
224 HE ARG 28 HE ARG 28 -3.660 8.405 22.764
225 HH11 ARG 28 HH21 ARG 28 -3.956 4.961 22.626
226 HH12 ARG 28 HH22 ARG 28 -4.463 4.800 24.274
227 HH21 ARG 28 HH11 ARG 28 -4.325 8.203 24.925
228 HH22 ARG 28 HH12 ARG 28 -4.672 6.636 25.576
229 H ASN 29 H ASN 29 2.431 7.531 21.186
230 HA ASN 29 HA ASN 29 3.751 5.861 20.299
231 HB2 ASN 29 HB2 ASN 29 1.858 4.694 21.730
232 HB3 ASN 29 HB3 ASN 29 1.340 4.098 20.153
233 HD21 ASN 29 HD21 ASN 29 2.344 2.193 19.503
234 HD22 ASN 29 HD22 ASN 29 3.848 1.645 20.070
235 H LEU 30 H LEU 30 3.689 4.018 18.491
236 HA LEU 30 HA LEU 30 2.417 5.211 16.100
237 HB2 LEU 30 HB2 LEU 30 5.086 3.789 16.170
238 HB3 LEU 30 HB3 LEU 30 4.365 4.642 14.805
239 HG LEU 30 HG LEU 30 5.063 5.964 17.440
240 HD11 LEU 30 HD11 LEU 30 6.615 5.579 14.894
241 HD12 LEU 30 HD12 LEU 30 7.171 5.454 16.563
242 HD13 LEU 30 HD13 LEU 30 6.855 7.039 15.855
243 HD21 LEU 30 HD21 LEU 30 4.983 7.811 15.329
244 HD22 LEU 30 HD22 LEU 30 3.767 7.607 16.589
245 HD23 LEU 30 HD23 LEU 30 3.596 6.756 15.053
246 H LYS 31 H LYS 31 1.343 3.864 14.759
247 HA LYS 31 HA LYS 31 0.878 1.147 15.678
248 HB2 LYS 31 HB2 LYS 31 -0.271 2.591 13.279
249 HB3 LYS 31 HB3 LYS 31 -0.870 1.092 13.991
250 HG2 LYS 31 HG2 LYS 31 -0.887 2.652 16.191
251 HG3 LYS 31 HG3 LYS 31 -1.142 3.891 14.961
252 HD2 LYS 31 HD2 LYS 31 -3.103 2.793 14.131
253 HD3 LYS 31 HD3 LYS 31 -2.768 1.341 15.075
254 HE2 LYS 31 HE2 LYS 31 -4.533 3.090 15.952
255 HE3 LYS 31 HE3 LYS 31 -3.412 2.333 17.084
256 HZ1 LYS 31 HZ1 LYS 31 -1.919 4.333 16.478
257 HZ2 LYS 31 HZ2 LYS 31 -3.191 4.552 17.582
258 HZ3 LYS 31 HZ3 LYS 31 -3.367 5.055 15.967
259 H LEU 32 H LEU 32 3.511 1.448 14.870
260 HA LEU 32 HA LEU 32 5.110 0.697 13.376
261 HB2 LEU 32 HB2 LEU 32 3.028 -1.473 13.490
262 HB3 LEU 32 HB3 LEU 32 4.503 -1.667 12.543
263 HG LEU 32 HG LEU 32 4.630 -0.779 15.418
264 HD11 LEU 32 HD11 LEU 32 4.051 -3.490 14.318
265 HD12 LEU 32 HD12 LEU 32 3.579 -2.780 15.862
266 HD13 LEU 32 HD13 LEU 32 5.218 -3.389 15.636
267 HD21 LEU 32 HD21 LEU 32 6.676 -2.571 14.344
268 HD22 LEU 32 HD22 LEU 32 6.862 -0.989 15.103
269 HD23 LEU 32 HD23 LEU 32 6.506 -1.104 13.380
270 H ILE 33 H ILE 33 5.120 -0.688 11.078
271 HA ILE 33 HA ILE 33 4.216 1.237 9.164
272 HB ILE 33 HB ILE 33 6.264 -0.437 9.125
273 HG12 ILE 33 HG12 ILE 33 6.005 -0.365 6.520
274 HG13 ILE 33 HG13 ILE 33 4.559 0.582 6.868
275 HG21 ILE 33 HG21 ILE 33 5.865 -2.451 7.898
276 HG22 ILE 33 HG22 ILE 33 4.209 -1.972 7.521
277 HG23 ILE 33 HG23 ILE 33 4.646 -2.410 9.173
278 HD11 ILE 33 HD11 ILE 33 6.430 1.734 8.536
279 HD12 ILE 33 HD12 ILE 33 5.960 2.363 6.955
280 HD13 ILE 33 HD13 ILE 33 7.388 1.338 7.108
281 H LEU 34 H LEU 34 2.350 1.301 8.079
282 HA LEU 34 HA LEU 34 0.638 -1.112 8.114
283 HB2 LEU 34 HB2 LEU 34 0.060 1.707 8.817
284 HB3 LEU 34 HB3 LEU 34 -1.170 0.879 7.862
285 HG LEU 34 HG LEU 34 -0.026 -0.641 10.147
286 HD11 LEU 34 HD11 LEU 34 -0.272 1.409 11.315
287 HD12 LEU 34 HD12 LEU 34 -1.770 0.535 11.635
288 HD13 LEU 34 HD13 LEU 34 -1.742 1.828 10.435
289 HD21 LEU 34 HD21 LEU 34 -2.433 -1.294 10.342
290 HD22 LEU 34 HD22 LEU 34 -1.775 -1.603 8.736
291 HD23 LEU 34 HD23 LEU 34 -2.806 -0.199 9.011
292 H GLN 35 H GLN 35 2.320 -0.957 6.056
293 HA GLN 35 HA GLN 35 0.895 0.356 3.838
294 HB2 GLN 35 HB2 GLN 35 2.976 -0.300 2.542
295 HB3 GLN 35 HB3 GLN 35 3.224 0.873 3.836
296 HG2 GLN 35 HG2 GLN 35 3.980 -0.903 5.341
297 HG3 GLN 35 HG3 GLN 35 3.676 -2.112 4.094
298 HE21 GLN 35 HE21 GLN 35 6.298 -1.601 5.286
299 HE22 GLN 35 HE22 GLN 35 7.307 -1.041 4.041
300 H GLY 36 H GLY 36 -0.133 -0.780 2.282
301 HA2 GLY 36 HA2 GLY 36 0.408 -3.530 1.698
302 HA3 GLY 36 HA3 GLY 36 -1.060 -3.351 2.655
303 H CYS 37 H CYS 37 -1.860 -4.375 0.539
304 HA CYS 37 HA CYS 37 -2.320 -2.341 -1.537
305 HB2 CYS 37 HB2 CYS 37 -3.364 -4.989 -2.111
306 HB3 CYS 37 HB3 CYS 37 -2.227 -4.008 -3.034
307 H SER 38 H SER 38 -4.459 -2.178 -2.489
308 HA SER 38 HA SER 38 -6.754 -3.270 -1.192
309 HB2 SER 38 HB2 SER 38 -5.840 -1.506 0.468
310 HB3 SER 38 HB3 SER 38 -6.441 -0.322 -0.690
311 HG SER 38 HG SER 38 -8.097 -2.445 0.094
312 H SER 39 H SER 39 -8.331 -3.284 -2.651
313 HA SER 39 HA SER 39 -8.056 -1.881 -5.138
314 HB2 SER 39 HB2 SER 39 -9.358 -3.591 -5.778
315 HB3 SER 39 HB3 SER 39 -9.624 -4.049 -4.099
316 HG SER 39 HG SER 39 -11.418 -2.837 -4.041
317 H SER 40 H SER 40 -9.734 -0.452 -6.033
318 HA SER 40 HA SER 40 -10.666 1.674 -5.861
319 HB2 SER 40 HB2 SER 40 -12.596 0.155 -5.706
320 HB3 SER 40 HB3 SER 40 -12.400 0.075 -3.958
321 HG SER 40 HG SER 40 -12.468 2.565 -4.331
322 H CYS 41 H CYS 41 -8.422 1.657 -4.330
323 HA CYS 41 HA CYS 41 -8.804 2.321 -1.597
324 HB2 CYS 41 HB2 CYS 41 -6.641 1.593 -2.605
325 HB3 CYS 41 HB3 CYS 41 -6.546 3.149 -3.427
326 H SER 42 H SER 42 -8.997 4.282 -0.571
327 HA SER 42 HA SER 42 -9.733 6.560 -2.299
328 HB2 SER 42 HB2 SER 42 -10.852 5.443 0.134
329 HB3 SER 42 HB3 SER 42 -10.484 7.154 0.325
330 HG SER 42 HG SER 42 -12.507 6.045 -0.966
331 H GLU 43 H GLU 43 -7.582 7.279 -2.637
332 HA GLU 43 HA GLU 43 -5.532 7.674 -0.902
333 HB2 GLU 43 HB2 GLU 43 -5.631 8.341 -3.347
334 HB3 GLU 43 HB3 GLU 43 -6.410 9.835 -2.821
335 HG2 GLU 43 HG2 GLU 43 -4.399 10.048 -1.188
336 HG3 GLU 43 HG3 GLU 43 -3.619 8.863 -2.235
337 H THR 44 H THR 44 -5.338 8.602 1.021
338 HA THR 44 HA THR 44 -6.932 11.014 1.615
339 HB THR 44 HB THR 44 -7.088 10.099 3.994
340 HG1 THR 44 HG1 THR 44 -5.528 8.425 3.586
341 HG21 THR 44 HG21 THR 44 -9.174 9.975 3.104
342 HG22 THR 44 HG22 THR 44 -8.834 8.250 2.976
343 HG23 THR 44 HG23 THR 44 -8.587 9.304 1.583
344 H GLU 45 H GLU 45 -6.044 11.878 3.886
345 HA GLU 45 HA GLU 45 -3.315 12.611 3.389
346 HB2 GLU 45 HB2 GLU 45 -5.356 13.833 4.672
347 HB3 GLU 45 HB3 GLU 45 -4.485 13.163 6.051
348 HG2 GLU 45 HG2 GLU 45 -2.366 14.132 4.908
349 HG3 GLU 45 HG3 GLU 45 -3.498 15.103 3.969
350 H ASN 46 H ASN 46 -4.971 10.442 5.618
351 HA ASN 46 HA ASN 46 -2.484 9.764 6.984
352 HB2 ASN 46 HB2 ASN 46 -4.402 9.886 8.403
353 HB3 ASN 46 HB3 ASN 46 -5.349 8.866 7.321
354 HD21 ASN 46 HD21 ASN 46 -5.227 7.972 9.912
355 HD22 ASN 46 HD22 ASN 46 -4.169 6.651 10.049
356 H ASN 47 H ASN 47 -4.782 8.366 4.711
357 HA ASN 47 HA ASN 47 -2.889 6.139 4.255
358 HB2 ASN 47 HB2 ASN 47 -4.634 4.878 4.981
359 HB3 ASN 47 HB3 ASN 47 -5.810 6.156 4.692
360 HD21 ASN 47 HD21 ASN 47 -3.722 3.886 2.806
361 HD22 ASN 47 HD22 ASN 47 -4.865 3.638 1.576
362 H LYS 48 H LYS 48 -1.850 6.601 2.405
363 HA LYS 48 HA LYS 48 -3.338 7.891 0.218
364 HB2 LYS 48 HB2 LYS 48 -0.373 7.347 0.283
365 HB3 LYS 48 HB3 LYS 48 -1.248 8.532 -0.686
366 HG2 LYS 48 HG2 LYS 48 -1.982 9.546 1.582
367 HG3 LYS 48 HG3 LYS 48 -0.674 8.587 2.275
368 HD2 LYS 48 HD2 LYS 48 -0.127 10.321 -0.117
369 HD3 LYS 48 HD3 LYS 48 -0.197 11.046 1.488
370 HE2 LYS 48 HE2 LYS 48 1.782 10.134 2.112
371 HE3 LYS 48 HE3 LYS 48 1.384 8.572 1.397
372 HZ1 LYS 48 HZ1 LYS 48 2.279 9.144 -0.590
373 HZ2 LYS 48 HZ2 LYS 48 3.249 10.123 0.404
374 HZ3 LYS 48 HZ3 LYS 48 1.924 10.794 -0.420
375 H CYS 49 H CYS 49 -3.132 7.069 -1.951
376 HA CYS 49 HA CYS 49 -2.584 4.165 -2.036
377 HB2 CYS 49 HB2 CYS 49 -4.593 5.420 -3.861
378 HB3 CYS 49 HB3 CYS 49 -4.481 3.756 -3.288
379 H CYS 50 H CYS 50 -1.333 3.439 -3.627
380 HA CYS 50 HA CYS 50 -0.367 5.384 -5.626
381 HB2 CYS 50 HB2 CYS 50 1.109 3.917 -3.857
382 HB3 CYS 50 HB3 CYS 50 1.110 2.852 -5.262
383 H SER 51 H SER 51 0.370 4.196 -7.717
384 HA SER 51 HA SER 51 -1.477 1.998 -8.360
385 HB2 SER 51 HB2 SER 51 -2.290 3.059 -10.326
386 HB3 SER 51 HB3 SER 51 -2.419 4.265 -9.048
387 HG SER 51 HG SER 51 -1.446 5.173 -10.868
388 H THR 52 H THR 52 1.490 2.394 -7.933
389 HA THR 52 HA THR 52 2.345 1.178 -10.485
390 HB THR 52 HB THR 52 4.349 2.680 -8.891
391 HG1 THR 52 HG1 THR 52 2.103 3.783 -10.087
392 HG21 THR 52 HG21 THR 52 4.576 1.362 -11.144
393 HG22 THR 52 HG22 THR 52 5.389 2.918 -10.971
394 HG23 THR 52 HG23 THR 52 3.865 2.812 -11.852
395 H ASP 53 H ASP 53 4.121 -0.326 -10.289
396 HA ASP 53 HA ASP 53 3.886 -1.988 -7.962
397 HB2 ASP 53 HB2 ASP 53 5.978 -2.207 -10.127
398 HB3 ASP 53 HB3 ASP 53 5.352 -3.489 -9.090
399 H ARG 54 H ARG 54 5.335 -2.315 -6.317
400 HA ARG 54 HA ARG 54 6.914 -1.705 -4.766
401 HB2 ARG 54 HB2 ARG 54 8.249 -2.546 -6.897
402 HB3 ARG 54 HB3 ARG 54 8.765 -0.859 -6.951
403 HG2 ARG 54 HG2 ARG 54 9.557 -0.989 -4.645
404 HG3 ARG 54 HG3 ARG 54 8.968 -2.647 -4.512
405 HD2 ARG 54 HD2 ARG 54 11.513 -1.850 -5.358
406 HD3 ARG 54 HD3 ARG 54 10.819 -3.463 -5.493
407 HE ARG 54 HE ARG 54 9.855 -2.118 -7.686
408 HH11 ARG 54 HH21 ARG 54 12.958 -2.755 -6.301
409 HH12 ARG 54 HH22 ARG 54 13.791 -2.759 -7.820
410 HH21 ARG 54 HH11 ARG 54 10.941 -2.126 -9.689
411 HH22 ARG 54 HH12 ARG 54 12.651 -2.406 -9.736
412 H CYS 55 H CYS 55 5.042 0.305 -5.389
413 HA CYS 55 HA CYS 55 6.483 2.809 -5.710
414 HB2 CYS 55 HB2 CYS 55 4.357 2.878 -6.699
415 HB3 CYS 55 HB3 CYS 55 3.595 2.057 -5.338
416 H ASN 56 H ASN 56 5.265 0.811 -3.143
417 HA ASN 56 HA ASN 56 5.613 2.942 -1.161
418 HB2 ASN 56 HB2 ASN 56 4.609 1.379 0.414
419 HB3 ASN 56 HB3 ASN 56 3.611 1.490 -1.034
420 HD21 ASN 56 HD21 ASN 56 5.595 -0.191 -2.603
421 HD22 ASN 56 HD22 ASN 56 5.333 -1.779 -2.063
422 H LYS 57 H LYS 57 7.894 3.140 -1.299
423 HA LYS 57 HA LYS 57 10.012 2.768 -0.482
424 HB2 LYS 57 HB2 LYS 57 8.548 1.861 1.505
425 HB3 LYS 57 HB3 LYS 57 9.108 0.287 0.935
426 HG2 LYS 57 HG2 LYS 57 10.773 0.880 2.474
427 HG3 LYS 57 HG3 LYS 57 11.471 1.406 0.942
428 HD2 LYS 57 HD2 LYS 57 9.905 3.572 1.793
429 HD3 LYS 57 HD3 LYS 57 10.714 2.999 3.252
430 HE2 LYS 57 HE2 LYS 57 12.888 3.119 2.128
431 HE3 LYS 57 HE3 LYS 57 12.105 3.622 0.630
432 HZ1 LYS 57 HZ1 LYS 57 12.909 5.553 1.736
433 HZ2 LYS 57 HZ2 LYS 57 12.173 5.102 3.200
434 HZ3 LYS 57 HZ3 LYS 57 11.218 5.558 1.870
Start of MODEL 19
1 H1 LEU 1 H1 LEU 1 -0.540 -3.544 -9.267
2 H2 LEU 1 H2 LEU 1 1.143 -3.596 -9.495
3 H3 LEU 1 H3 LEU 1 0.493 -3.682 -7.927
4 HA LEU 1 HA LEU 1 -0.738 -5.759 -8.989
5 HB2 LEU 1 HB2 LEU 1 0.871 -5.056 -11.059
6 HB3 LEU 1 HB3 LEU 1 1.940 -6.163 -10.197
7 HG LEU 1 HG LEU 1 -0.146 -7.727 -10.106
8 HD11 LEU 1 HD11 LEU 1 -0.922 -6.431 -12.672
9 HD12 LEU 1 HD12 LEU 1 -1.435 -5.627 -11.189
10 HD13 LEU 1 HD13 LEU 1 -1.920 -7.293 -11.501
11 HD21 LEU 1 HD21 LEU 1 0.391 -8.484 -12.506
12 HD22 LEU 1 HD22 LEU 1 1.748 -8.402 -11.381
13 HD23 LEU 1 HD23 LEU 1 1.505 -7.117 -12.564
14 H LYS 2 H LYS 2 1.816 -4.272 -7.369
15 HA LYS 2 HA LYS 2 1.935 -6.291 -5.364
16 HB2 LYS 2 HB2 LYS 2 4.212 -7.025 -5.638
17 HB3 LYS 2 HB3 LYS 2 3.362 -7.324 -7.153
18 HG2 LYS 2 HG2 LYS 2 4.349 -4.690 -7.345
19 HG3 LYS 2 HG3 LYS 2 5.668 -5.643 -6.664
20 HD2 LYS 2 HD2 LYS 2 5.082 -7.366 -8.524
21 HD3 LYS 2 HD3 LYS 2 4.235 -6.020 -9.287
22 HE2 LYS 2 HE2 LYS 2 6.213 -5.359 -10.136
23 HE3 LYS 2 HE3 LYS 2 6.715 -4.966 -8.492
24 HZ1 LYS 2 HZ1 LYS 2 7.469 -7.261 -8.231
25 HZ2 LYS 2 HZ2 LYS 2 8.274 -6.481 -9.508
26 HZ3 LYS 2 HZ3 LYS 2 7.034 -7.596 -9.836
27 H CYS 3 H CYS 3 3.348 -5.675 -3.588
28 HA CYS 3 HA CYS 3 4.729 -3.162 -3.621
29 HB2 CYS 3 HB2 CYS 3 2.807 -2.690 -1.599
30 HB3 CYS 3 HB3 CYS 3 3.041 -1.784 -3.094
31 H TYR 4 H TYR 4 4.528 -2.564 -0.887
32 HA TYR 4 HA TYR 4 6.035 -4.808 0.224
33 HB2 TYR 4 HB2 TYR 4 5.717 -1.915 0.967
34 HB3 TYR 4 HB3 TYR 4 6.418 -3.070 2.099
35 HD1 TYR 4 HD1 TYR 4 8.405 -4.464 1.342
36 HD2 TYR 4 HD2 TYR 4 6.988 -1.046 -0.834
37 HE1 TYR 4 HE1 TYR 4 10.567 -4.332 0.146
38 HE2 TYR 4 HE2 TYR 4 9.154 -0.911 -2.034
39 HH TYR 4 HH TYR 4 11.876 -2.964 -1.142
40 H GLN 5 H GLN 5 4.505 -6.277 0.805
41 HA GLN 5 HA GLN 5 2.435 -5.402 2.724
42 HB2 GLN 5 HB2 GLN 5 1.728 -6.640 0.645
43 HB3 GLN 5 HB3 GLN 5 2.586 -8.048 1.271
44 HG2 GLN 5 HG2 GLN 5 1.029 -7.135 3.422
45 HG3 GLN 5 HG3 GLN 5 -0.024 -7.018 2.014
46 HE21 GLN 5 HE21 GLN 5 -0.240 -9.055 0.670
47 HE22 GLN 5 HE22 GLN 5 -0.070 -10.557 1.443
48 H HIS 6 H HIS 6 5.290 -7.328 2.362
49 HA HIS 6 HA HIS 6 5.094 -8.085 5.209
50 HB2 HIS 6 HB2 HIS 6 5.659 -9.849 2.847
51 HB3 HIS 6 HB3 HIS 6 6.390 -10.215 4.411
52 HD1 HIS 6 HD1 HIS 6 4.095 -9.424 6.289
53 HD2 HIS 6 HD2 HIS 6 3.538 -11.655 2.812
54 HE1 HIS 6 HE1 HIS 6 1.925 -10.694 6.592
55 H GLY 7 H GLY 7 6.464 -5.863 3.988
56 HA2 GLY 7 HA2 GLY 7 8.495 -4.821 4.452
57 HA3 GLY 7 HA3 GLY 7 9.119 -6.361 5.041
58 H LYS 8 H LYS 8 7.917 -7.416 2.353
59 HA LYS 8 HA LYS 8 10.139 -6.551 0.608
60 HB2 LYS 8 HB2 LYS 8 9.190 -9.349 0.356
61 HB3 LYS 8 HB3 LYS 8 10.820 -8.689 0.196
62 HG2 LYS 8 HG2 LYS 8 10.753 -8.306 2.727
63 HG3 LYS 8 HG3 LYS 8 9.317 -9.331 2.739
64 HD2 LYS 8 HD2 LYS 8 11.193 -10.769 3.179
65 HD3 LYS 8 HD3 LYS 8 10.691 -11.083 1.517
66 HE2 LYS 8 HE2 LYS 8 12.584 -8.899 1.577
67 HE3 LYS 8 HE3 LYS 8 13.257 -10.304 2.405
68 HZ1 LYS 8 HZ1 LYS 8 13.775 -10.513 0.118
69 HZ2 LYS 8 HZ2 LYS 8 12.177 -10.179 -0.354
70 HZ3 LYS 8 HZ3 LYS 8 12.545 -11.637 0.438
71 H VAL 9 H VAL 9 9.652 -6.363 -1.563
72 HA VAL 9 HA VAL 9 7.035 -5.737 -2.297
73 HB VAL 9 HB VAL 9 9.011 -6.750 -4.318
74 HG11 VAL 9 HG11 VAL 9 7.914 -5.294 -5.755
75 HG12 VAL 9 HG12 VAL 9 7.456 -4.194 -4.455
76 HG13 VAL 9 HG13 VAL 9 6.589 -5.714 -4.669
77 HG21 VAL 9 HG21 VAL 9 9.823 -4.244 -4.159
78 HG22 VAL 9 HG22 VAL 9 10.503 -5.457 -3.074
79 HG23 VAL 9 HG23 VAL 9 9.237 -4.373 -2.502
80 H VAL 10 H VAL 10 5.455 -7.222 -1.951
81 HA VAL 10 HA VAL 10 5.680 -9.740 -3.485
82 HB VAL 10 HB VAL 10 4.451 -10.890 -1.668
83 HG11 VAL 10 HG11 VAL 10 7.044 -9.519 -0.896
84 HG12 VAL 10 HG12 VAL 10 6.876 -11.071 -1.715
85 HG13 VAL 10 HG13 VAL 10 6.359 -10.899 -0.038
86 HG21 VAL 10 HG21 VAL 10 4.630 -9.547 0.592
87 HG22 VAL 10 HG22 VAL 10 3.273 -9.248 -0.494
88 HG23 VAL 10 HG23 VAL 10 4.645 -8.140 -0.471
89 H THR 11 H THR 11 3.637 -10.671 -4.113
90 HA THR 11 HA THR 11 1.744 -8.657 -4.935
91 HB THR 11 HB THR 11 2.025 -10.294 -6.569
92 HG1 THR 11 HG1 THR 11 -0.017 -10.664 -6.741
93 HG21 THR 11 HG21 THR 11 1.804 -12.792 -5.857
94 HG22 THR 11 HG22 THR 11 2.130 -12.186 -4.233
95 HG23 THR 11 HG23 THR 11 3.313 -11.946 -5.520
96 H CYS 12 H CYS 12 0.431 -7.864 -3.411
97 HA CYS 12 HA CYS 12 -0.419 -9.183 -1.083
98 HB2 CYS 12 HB2 CYS 12 -2.329 -7.221 -2.099
99 HB3 CYS 12 HB3 CYS 12 -1.372 -7.199 -0.618
100 H HIS 13 H HIS 13 -3.216 -8.743 -1.077
101 HA HIS 13 HA HIS 13 -4.280 -11.179 -1.662
102 HB2 HIS 13 HB2 HIS 13 -6.085 -8.924 -2.298
103 HB3 HIS 13 HB3 HIS 13 -6.297 -10.255 -1.162
104 HD1 HIS 13 HD1 HIS 13 -4.829 -10.041 1.120
105 HD2 HIS 13 HD2 HIS 13 -5.285 -6.548 -1.109
106 HE1 HIS 13 HE1 HIS 13 -4.238 -8.123 2.666
107 H ARG 14 H ARG 14 -5.581 -12.024 -3.372
108 HA ARG 14 HA ARG 14 -4.538 -11.363 -5.996
109 HB2 ARG 14 HB2 ARG 14 -6.587 -13.426 -5.147
110 HB3 ARG 14 HB3 ARG 14 -5.843 -13.310 -6.742
111 HG2 ARG 14 HG2 ARG 14 -3.590 -13.429 -5.409
112 HG3 ARG 14 HG3 ARG 14 -4.593 -14.115 -4.129
113 HD2 ARG 14 HD2 ARG 14 -5.509 -15.634 -6.082
114 HD3 ARG 14 HD3 ARG 14 -3.986 -15.210 -6.854
115 HE ARG 14 HE ARG 14 -2.826 -16.348 -5.107
116 HH11 ARG 14 HH21 ARG 14 -6.280 -16.450 -4.838
117 HH12 ARG 14 HH22 ARG 14 -6.288 -17.771 -3.719
118 HH21 ARG 14 HH11 ARG 14 -2.838 -18.078 -3.638
119 HH22 ARG 14 HH12 ARG 14 -4.344 -18.691 -3.040
120 H ASP 15 H ASP 15 -6.001 -9.230 -4.910
121 HA ASP 15 HA ASP 15 -7.985 -8.885 -6.988
122 HB2 ASP 15 HB2 ASP 15 -8.995 -10.028 -4.788
123 HB3 ASP 15 HB3 ASP 15 -9.070 -8.343 -4.274
124 H MET 16 H MET 16 -5.632 -7.722 -4.960
125 HA MET 16 HA MET 16 -6.570 -5.035 -4.600
126 HB2 MET 16 HB2 MET 16 -4.649 -4.714 -3.412
127 HB3 MET 16 HB3 MET 16 -4.629 -6.476 -3.411
128 HG2 MET 16 HG2 MET 16 -2.455 -5.867 -4.125
129 HG3 MET 16 HG3 MET 16 -3.304 -6.282 -5.612
130 HE1 MET 16 HE1 MET 16 -1.283 -5.112 -6.690
131 HE2 MET 16 HE2 MET 16 -0.599 -4.388 -5.236
132 HE3 MET 16 HE3 MET 16 -0.940 -3.377 -6.637
133 H LYS 17 H LYS 17 -6.243 -3.260 -5.841
134 HA LYS 17 HA LYS 17 -4.738 -3.621 -8.362
135 HB2 LYS 17 HB2 LYS 17 -7.380 -2.216 -7.918
136 HB3 LYS 17 HB3 LYS 17 -6.420 -2.052 -9.389
137 HG2 LYS 17 HG2 LYS 17 -6.482 -4.570 -9.604
138 HG3 LYS 17 HG3 LYS 17 -7.639 -4.592 -8.273
139 HD2 LYS 17 HD2 LYS 17 -9.211 -4.369 -9.895
140 HD3 LYS 17 HD3 LYS 17 -8.716 -2.677 -9.927
141 HE2 LYS 17 HE2 LYS 17 -7.899 -4.910 -11.773
142 HE3 LYS 17 HE3 LYS 17 -8.530 -3.314 -12.181
143 HZ1 LYS 17 HZ1 LYS 17 -6.121 -3.156 -10.662
144 HZ2 LYS 17 HZ2 LYS 17 -6.499 -2.457 -12.163
145 HZ3 LYS 17 HZ3 LYS 17 -5.895 -4.043 -12.089
146 H PHE 18 H PHE 18 -4.596 -2.189 -5.495
147 HA PHE 18 HA PHE 18 -2.958 0.001 -6.472
148 HB2 PHE 18 HB2 PHE 18 -5.414 0.546 -4.795
149 HB3 PHE 18 HB3 PHE 18 -4.167 1.725 -5.189
150 HD1 PHE 18 HD1 PHE 18 -6.759 -0.504 -6.669
151 HD2 PHE 18 HD2 PHE 18 -4.131 2.836 -7.293
152 HE1 PHE 18 HE1 PHE 18 -7.888 -0.018 -8.823
153 HE2 PHE 18 HE2 PHE 18 -5.259 3.323 -9.446
154 HZ PHE 18 HZ PHE 18 -7.139 1.896 -10.212
155 H CYS 19 H CYS 19 -1.374 0.520 -5.072
156 HA CYS 19 HA CYS 19 -1.349 -0.918 -2.495
157 HB2 CYS 19 HB2 CYS 19 0.968 0.377 -3.964
158 HB3 CYS 19 HB3 CYS 19 1.069 -0.654 -2.537
159 H TYR 20 H TYR 20 -1.095 0.231 -0.569
160 HA TYR 20 HA TYR 20 -0.818 3.147 -0.830
161 HB2 TYR 20 HB2 TYR 20 -2.655 3.581 0.626
162 HB3 TYR 20 HB3 TYR 20 -3.241 2.461 -0.602
163 HD1 TYR 20 HD2 TYR 20 -1.833 2.605 2.854
164 HD2 TYR 20 HD1 TYR 20 -4.136 0.360 0.006
165 HE1 TYR 20 HE2 TYR 20 -2.439 0.980 4.627
166 HE2 TYR 20 HE1 TYR 20 -4.742 -1.267 1.779
167 HH TYR 20 HH TYR 20 -3.271 -1.146 4.964
168 H HIS 21 H HIS 21 0.066 4.212 0.909
169 HA HIS 21 HA HIS 21 1.401 2.477 2.898
170 HB2 HIS 21 HB2 HIS 21 2.685 4.016 1.155
171 HB3 HIS 21 HB3 HIS 21 2.334 5.261 2.354
172 HD1 HIS 21 HD1 HIS 21 5.249 4.363 1.940
173 HD2 HIS 21 HD2 HIS 21 2.700 2.660 4.766
174 HE1 HIS 21 HE1 HIS 21 6.733 3.313 3.703
175 H ASN 22 H ASN 22 -0.030 2.497 4.582
176 HA ASN 22 HA ASN 22 -1.357 4.924 5.408
177 HB2 ASN 22 HB2 ASN 22 -2.582 2.907 5.727
178 HB3 ASN 22 HB3 ASN 22 -1.230 2.136 6.555
179 HD21 ASN 22 HD21 ASN 22 -2.068 5.506 7.220
180 HD22 ASN 22 HD22 ASN 22 -2.670 5.229 8.783
181 H THR 23 H THR 23 -0.806 6.285 7.012
182 HA THR 23 HA THR 23 1.724 5.737 8.432
183 HB THR 23 HB THR 23 2.061 8.101 8.564
184 HG1 THR 23 HG1 THR 23 0.481 9.521 8.239
185 HG21 THR 23 HG21 THR 23 2.421 6.947 6.326
186 HG22 THR 23 HG22 THR 23 2.208 8.696 6.250
187 HG23 THR 23 HG23 THR 23 0.873 7.626 5.824
188 H GLY 24 H GLY 24 -1.657 6.324 8.777
189 HA2 GLY 24 HA2 GLY 24 -3.041 6.309 10.617
190 HA3 GLY 24 HA3 GLY 24 -1.704 5.584 11.505
191 H MET 25 H MET 25 -3.642 8.306 11.194
192 HA MET 25 HA MET 25 -1.680 10.131 12.388
193 HB2 MET 25 HB2 MET 25 -3.844 10.478 10.615
194 HB3 MET 25 HB3 MET 25 -4.328 11.246 12.127
195 HG2 MET 25 HG2 MET 25 -1.720 11.746 10.659
196 HG3 MET 25 HG3 MET 25 -3.109 12.832 10.678
197 HE1 MET 25 HE1 MET 25 -0.751 14.160 11.243
198 HE2 MET 25 HE2 MET 25 0.236 12.847 11.882
199 HE3 MET 25 HE3 MET 25 -0.082 14.266 12.878
200 HA PRO 26 HA PRO 26 -5.507 9.904 15.541
201 HB2 PRO 26 HB2 PRO 26 -5.896 6.965 15.148
202 HB3 PRO 26 HB3 PRO 26 -7.091 8.222 15.524
203 HG2 PRO 26 HG2 PRO 26 -6.886 7.190 13.080
204 HG3 PRO 26 HG3 PRO 26 -7.264 8.902 13.339
205 HD2 PRO 26 HD2 PRO 26 -4.723 7.660 12.400
206 HD3 PRO 26 HD3 PRO 26 -5.402 9.259 12.029
207 H PHE 27 H PHE 27 -4.353 10.080 17.371
208 HA PHE 27 HA PHE 27 -3.083 9.518 19.204
209 HB2 PHE 27 HB2 PHE 27 -3.169 6.663 18.223
210 HB3 PHE 27 HB3 PHE 27 -2.940 7.237 19.875
211 HD1 PHE 27 HD2 PHE 27 -4.874 8.771 20.818
212 HD2 PHE 27 HD1 PHE 27 -5.310 6.040 17.531
213 HE1 PHE 27 HE2 PHE 27 -7.328 8.739 21.171
214 HE2 PHE 27 HE1 PHE 27 -7.765 6.007 17.885
215 HZ PHE 27 HZ PHE 27 -8.774 7.357 19.705
216 H ARG 28 H ARG 28 -0.944 8.196 19.735
217 HA ARG 28 HA ARG 28 0.915 8.800 17.527
218 HB2 ARG 28 HB2 ARG 28 1.002 9.133 20.430
219 HB3 ARG 28 HB3 ARG 28 2.443 8.345 19.788
220 HG2 ARG 28 HG2 ARG 28 2.717 10.794 19.785
221 HG3 ARG 28 HG3 ARG 28 2.701 10.166 18.136
222 HD2 ARG 28 HD2 ARG 28 0.803 11.279 17.620
223 HD3 ARG 28 HD3 ARG 28 0.023 10.803 19.126
224 HE ARG 28 HE ARG 28 1.917 12.736 19.788
225 HH11 ARG 28 HH21 ARG 28 -0.920 12.423 17.833
226 HH12 ARG 28 HH22 ARG 28 -1.391 14.081 18.004
227 HH21 ARG 28 HH11 ARG 28 1.309 14.913 20.015
228 HH22 ARG 28 HH12 ARG 28 -0.125 15.493 19.236
229 H ASN 29 H ASN 29 0.799 6.509 20.267
230 HA ASN 29 HA ASN 29 1.727 4.386 20.432
231 HB2 ASN 29 HB2 ASN 29 -0.319 4.450 18.301
232 HB3 ASN 29 HB3 ASN 29 0.726 3.030 18.305
233 HD21 ASN 29 HD21 ASN 29 -1.810 4.709 20.069
234 HD22 ASN 29 HD22 ASN 29 -2.030 3.515 21.255
235 H LEU 30 H LEU 30 3.387 6.319 18.950
236 HA LEU 30 HA LEU 30 5.457 6.190 17.929
237 HB2 LEU 30 HB2 LEU 30 5.066 3.597 18.783
238 HB3 LEU 30 HB3 LEU 30 5.297 3.402 17.045
239 HG LEU 30 HG LEU 30 7.346 4.872 17.245
240 HD11 LEU 30 HD11 LEU 30 7.419 6.038 19.197
241 HD12 LEU 30 HD12 LEU 30 8.101 4.555 19.866
242 HD13 LEU 30 HD13 LEU 30 6.376 4.886 20.030
243 HD21 LEU 30 HD21 LEU 30 7.756 2.541 17.059
244 HD22 LEU 30 HD22 LEU 30 7.127 2.218 18.673
245 HD23 LEU 30 HD23 LEU 30 8.679 3.033 18.479
246 H LYS 31 H LYS 31 6.219 4.763 15.654
247 HA LYS 31 HA LYS 31 4.277 5.796 13.681
248 HB2 LYS 31 HB2 LYS 31 7.256 5.327 13.407
249 HB3 LYS 31 HB3 LYS 31 6.196 5.948 12.140
250 HG2 LYS 31 HG2 LYS 31 5.905 7.992 13.189
251 HG3 LYS 31 HG3 LYS 31 6.177 7.323 14.797
252 HD2 LYS 31 HD2 LYS 31 8.600 6.935 14.064
253 HD3 LYS 31 HD3 LYS 31 8.235 7.969 12.682
254 HE2 LYS 31 HE2 LYS 31 7.592 9.796 14.182
255 HE3 LYS 31 HE3 LYS 31 7.869 8.764 15.585
256 HZ1 LYS 31 HZ1 LYS 31 9.813 10.009 15.352
257 HZ2 LYS 31 HZ2 LYS 31 9.852 9.821 13.664
258 HZ3 LYS 31 HZ3 LYS 31 10.205 8.504 14.678
259 H LEU 32 H LEU 32 3.417 3.489 14.494
260 HA LEU 32 HA LEU 32 4.533 1.124 13.494
261 HB2 LEU 32 HB2 LEU 32 1.937 2.000 14.530
262 HB3 LEU 32 HB3 LEU 32 1.809 0.707 13.338
263 HG LEU 32 HG LEU 32 3.626 -0.511 14.643
264 HD11 LEU 32 HD11 LEU 32 3.369 1.963 16.200
265 HD12 LEU 32 HD12 LEU 32 4.674 0.777 16.184
266 HD13 LEU 32 HD13 LEU 32 3.250 0.507 17.188
267 HD21 LEU 32 HD21 LEU 32 1.236 -0.019 16.401
268 HD22 LEU 32 HD22 LEU 32 2.032 -1.543 16.011
269 HD23 LEU 32 HD23 LEU 32 1.011 -0.751 14.812
270 H ILE 33 H ILE 33 4.822 0.402 11.486
271 HA ILE 33 HA ILE 33 3.804 1.878 9.226
272 HB ILE 33 HB ILE 33 6.080 0.606 9.495
273 HG12 ILE 33 HG12 ILE 33 5.762 -0.026 6.915
274 HG13 ILE 33 HG13 ILE 33 4.286 0.916 7.129
275 HG21 ILE 33 HG21 ILE 33 6.074 -1.670 8.754
276 HG22 ILE 33 HG22 ILE 33 4.371 -1.588 8.302
277 HG23 ILE 33 HG23 ILE 33 4.834 -1.562 10.003
278 HD11 ILE 33 HD11 ILE 33 5.543 2.833 7.903
279 HD12 ILE 33 HD12 ILE 33 6.263 2.287 6.389
280 HD13 ILE 33 HD13 ILE 33 7.039 1.899 7.924
281 H LEU 34 H LEU 34 2.043 1.435 8.042
282 HA LEU 34 HA LEU 34 0.749 -1.197 8.382
283 HB2 LEU 34 HB2 LEU 34 -0.365 1.512 8.861
284 HB3 LEU 34 HB3 LEU 34 -1.412 0.363 8.027
285 HG LEU 34 HG LEU 34 0.062 -0.630 10.422
286 HD11 LEU 34 HD11 LEU 34 -1.668 0.276 11.933
287 HD12 LEU 34 HD12 LEU 34 -2.373 1.172 10.589
288 HD13 LEU 34 HD13 LEU 34 -0.755 1.575 11.164
289 HD21 LEU 34 HD21 LEU 34 -1.676 -1.810 8.807
290 HD22 LEU 34 HD22 LEU 34 -2.857 -0.991 9.828
291 HD23 LEU 34 HD23 LEU 34 -1.715 -2.129 10.541
292 H GLN 35 H GLN 35 2.442 -0.643 6.285
293 HA GLN 35 HA GLN 35 1.042 0.367 3.991
294 HB2 GLN 35 HB2 GLN 35 2.996 -0.867 2.791
295 HB3 GLN 35 HB3 GLN 35 3.365 0.537 3.793
296 HG2 GLN 35 HG2 GLN 35 4.153 -0.799 5.579
297 HG3 GLN 35 HG3 GLN 35 3.395 -2.255 4.935
298 HE21 GLN 35 HE21 GLN 35 5.108 -0.071 2.762
299 HE22 GLN 35 HE22 GLN 35 6.439 -1.090 2.497
300 H GLY 36 H GLY 36 -0.380 -0.647 2.750
301 HA2 GLY 36 HA2 GLY 36 -0.249 -3.511 2.304
302 HA3 GLY 36 HA3 GLY 36 -1.669 -2.970 3.193
303 H CYS 37 H CYS 37 -2.015 -4.201 0.776
304 HA CYS 37 HA CYS 37 -2.617 -1.989 -1.088
305 HB2 CYS 37 HB2 CYS 37 -2.790 -4.761 -2.078
306 HB3 CYS 37 HB3 CYS 37 -2.064 -3.338 -2.828
307 H SER 38 H SER 38 -4.554 -2.501 -2.527
308 HA SER 38 HA SER 38 -6.632 -4.183 -1.535
309 HB2 SER 38 HB2 SER 38 -6.418 -2.066 0.080
310 HB3 SER 38 HB3 SER 38 -7.403 -1.328 -1.180
311 HG SER 38 HG SER 38 -8.851 -3.098 -0.934
312 H SER 39 H SER 39 -8.784 -3.590 -2.606
313 HA SER 39 HA SER 39 -8.238 -3.077 -5.411
314 HB2 SER 39 HB2 SER 39 -9.725 -4.894 -4.975
315 HB3 SER 39 HB3 SER 39 -10.715 -3.914 -3.898
316 HG SER 39 HG SER 39 -11.784 -3.320 -5.594
317 H SER 40 H SER 40 -10.132 -1.613 -2.790
318 HA SER 40 HA SER 40 -10.405 0.812 -4.465
319 HB2 SER 40 HB2 SER 40 -12.559 -0.423 -3.963
320 HB3 SER 40 HB3 SER 40 -12.301 -0.028 -2.266
321 HG SER 40 HG SER 40 -11.945 2.214 -3.432
322 H CYS 41 H CYS 41 -8.413 1.617 -3.620
323 HA CYS 41 HA CYS 41 -8.194 2.066 -0.753
324 HB2 CYS 41 HB2 CYS 41 -6.186 1.480 -2.043
325 HB3 CYS 41 HB3 CYS 41 -6.396 2.924 -3.033
326 H SER 42 H SER 42 -8.535 3.964 0.288
327 HA SER 42 HA SER 42 -9.618 6.183 -1.329
328 HB2 SER 42 HB2 SER 42 -10.298 5.032 1.299
329 HB3 SER 42 HB3 SER 42 -10.279 6.792 1.244
330 HG SER 42 HG SER 42 -11.480 5.461 -0.882
331 H GLU 43 H GLU 43 -7.735 7.284 -1.844
332 HA GLU 43 HA GLU 43 -5.504 7.801 -0.356
333 HB2 GLU 43 HB2 GLU 43 -6.776 10.064 -1.867
334 HB3 GLU 43 HB3 GLU 43 -5.075 9.610 -1.768
335 HG2 GLU 43 HG2 GLU 43 -5.559 8.781 -3.865
336 HG3 GLU 43 HG3 GLU 43 -5.983 7.374 -2.896
337 H THR 44 H THR 44 -4.923 9.087 1.336
338 HA THR 44 HA THR 44 -6.518 11.253 2.299
339 HB THR 44 HB THR 44 -6.537 9.601 4.586
340 HG1 THR 44 HG1 THR 44 -8.044 7.992 3.553
341 HG21 THR 44 HG21 THR 44 -8.193 11.270 4.278
342 HG22 THR 44 HG22 THR 44 -9.065 9.743 4.141
343 HG23 THR 44 HG23 THR 44 -8.637 10.649 2.689
344 H GLU 45 H GLU 45 -5.435 12.490 3.813
345 HA GLU 45 HA GLU 45 -2.707 12.575 3.855
346 HB2 GLU 45 HB2 GLU 45 -2.866 13.948 5.855
347 HB3 GLU 45 HB3 GLU 45 -4.206 14.334 4.777
348 HG2 GLU 45 HG2 GLU 45 -5.584 12.641 6.100
349 HG3 GLU 45 HG3 GLU 45 -4.271 12.634 7.278
350 H ASN 46 H ASN 46 -4.727 10.332 5.499
351 HA ASN 46 HA ASN 46 -2.573 9.473 7.297
352 HB2 ASN 46 HB2 ASN 46 -4.757 9.631 8.319
353 HB3 ASN 46 HB3 ASN 46 -5.470 8.639 7.049
354 HD21 ASN 46 HD21 ASN 46 -6.048 7.400 9.229
355 HD22 ASN 46 HD22 ASN 46 -4.941 6.197 9.689
356 H ASN 47 H ASN 47 -4.464 8.415 4.530
357 HA ASN 47 HA ASN 47 -2.531 6.227 4.118
358 HB2 ASN 47 HB2 ASN 47 -4.339 4.969 4.865
359 HB3 ASN 47 HB3 ASN 47 -5.525 6.077 4.179
360 HD21 ASN 47 HD21 ASN 47 -5.545 6.138 1.676
361 HD22 ASN 47 HD22 ASN 47 -5.248 4.676 0.867
362 H LYS 48 H LYS 48 -1.552 6.477 2.231
363 HA LYS 48 HA LYS 48 -2.963 7.962 0.098
364 HB2 LYS 48 HB2 LYS 48 0.012 7.545 0.172
365 HB3 LYS 48 HB3 LYS 48 -0.913 8.832 -0.604
366 HG2 LYS 48 HG2 LYS 48 -1.667 9.444 1.807
367 HG3 LYS 48 HG3 LYS 48 -0.293 8.466 2.322
368 HD2 LYS 48 HD2 LYS 48 0.862 9.998 0.379
369 HD3 LYS 48 HD3 LYS 48 -0.336 11.119 1.026
370 HE2 LYS 48 HE2 LYS 48 0.560 10.311 3.354
371 HE3 LYS 48 HE3 LYS 48 1.975 9.809 2.429
372 HZ1 LYS 48 HZ1 LYS 48 2.640 11.902 2.238
373 HZ2 LYS 48 HZ2 LYS 48 1.439 12.331 3.361
374 HZ3 LYS 48 HZ3 LYS 48 1.120 12.422 1.694
375 H CYS 49 H CYS 49 -3.287 7.016 -1.842
376 HA CYS 49 HA CYS 49 -2.378 4.226 -2.153
377 HB2 CYS 49 HB2 CYS 49 -4.425 5.466 -3.939
378 HB3 CYS 49 HB3 CYS 49 -4.301 3.808 -3.350
379 H CYS 50 H CYS 50 -1.238 3.553 -3.901
380 HA CYS 50 HA CYS 50 -0.622 5.478 -6.040
381 HB2 CYS 50 HB2 CYS 50 1.813 4.514 -5.809
382 HB3 CYS 50 HB3 CYS 50 1.298 5.850 -4.784
383 H SER 51 H SER 51 -0.665 4.540 -8.001
384 HA SER 51 HA SER 51 -0.722 1.589 -8.110
385 HB2 SER 51 HB2 SER 51 -2.646 3.218 -8.989
386 HB3 SER 51 HB3 SER 51 -1.620 3.239 -10.420
387 HG SER 51 HG SER 51 -2.814 1.474 -10.737
388 H THR 52 H THR 52 1.767 2.905 -7.951
389 HA THR 52 HA THR 52 2.802 2.614 -10.706
390 HB THR 52 HB THR 52 4.516 3.876 -8.652
391 HG1 THR 52 HG1 THR 52 3.359 5.832 -8.847
392 HG21 THR 52 HG21 THR 52 3.742 4.886 -11.386
393 HG22 THR 52 HG22 THR 52 4.919 3.588 -11.186
394 HG23 THR 52 HG23 THR 52 5.232 5.179 -10.490
395 H ASP 53 H ASP 53 2.270 0.558 -8.551
396 HA ASP 53 HA ASP 53 3.265 -1.337 -7.716
397 HB2 ASP 53 HB2 ASP 53 4.450 -0.792 -10.283
398 HB3 ASP 53 HB3 ASP 53 5.649 -1.521 -9.217
399 H ARG 54 H ARG 54 4.938 -2.089 -6.339
400 HA ARG 54 HA ARG 54 6.190 -1.563 -4.432
401 HB2 ARG 54 HB2 ARG 54 8.529 -1.283 -5.078
402 HB3 ARG 54 HB3 ARG 54 7.741 -2.451 -6.139
403 HG2 ARG 54 HG2 ARG 54 7.411 -0.701 -7.839
404 HG3 ARG 54 HG3 ARG 54 8.179 0.482 -6.779
405 HD2 ARG 54 HD2 ARG 54 9.629 -0.669 -8.612
406 HD3 ARG 54 HD3 ARG 54 10.291 -0.511 -6.988
407 HE ARG 54 HE ARG 54 8.891 -3.002 -7.693
408 HH11 ARG 54 HH21 ARG 54 11.798 -1.256 -6.982
409 HH12 ARG 54 HH22 ARG 54 12.741 -2.679 -6.694
410 HH21 ARG 54 HH11 ARG 54 10.125 -4.866 -7.321
411 HH22 ARG 54 HH12 ARG 54 11.796 -4.721 -6.887
412 H CYS 55 H CYS 55 4.516 0.710 -5.330
413 HA CYS 55 HA CYS 55 6.048 3.113 -5.176
414 HB2 CYS 55 HB2 CYS 55 3.871 4.204 -4.927
415 HB3 CYS 55 HB3 CYS 55 3.796 2.984 -6.200
416 H ASN 56 H ASN 56 4.219 1.176 -2.853
417 HA ASN 56 HA ASN 56 4.530 2.954 -0.651
418 HB2 ASN 56 HB2 ASN 56 2.789 1.147 -0.859
419 HB3 ASN 56 HB3 ASN 56 4.064 -0.031 -0.553
420 HD21 ASN 56 HD21 ASN 56 5.484 1.788 1.365
421 HD22 ASN 56 HD22 ASN 56 4.541 1.779 2.775
422 H LYS 57 H LYS 57 7.004 2.969 -1.635
423 HA LYS 57 HA LYS 57 8.626 1.016 -0.164
424 HB2 LYS 57 HB2 LYS 57 10.530 2.117 -1.364
425 HB3 LYS 57 HB3 LYS 57 9.320 1.420 -2.443
426 HG2 LYS 57 HG2 LYS 57 8.459 3.513 -3.044
427 HG3 LYS 57 HG3 LYS 57 9.091 4.296 -1.594
428 HD2 LYS 57 HD2 LYS 57 10.400 4.935 -3.588
429 HD3 LYS 57 HD3 LYS 57 11.390 4.029 -2.444
430 HE2 LYS 57 HE2 LYS 57 11.021 1.969 -3.743
431 HE3 LYS 57 HE3 LYS 57 10.018 2.863 -4.884
432 HZ1 LYS 57 HZ1 LYS 57 11.997 3.012 -5.946
433 HZ2 LYS 57 HZ2 LYS 57 12.914 2.905 -4.520
434 HZ3 LYS 57 HZ3 LYS 57 12.167 4.370 -4.944
Start of MODEL 20
1 H1 LEU 1 H1 LEU 1 3.917 -5.175 -10.564
2 H2 LEU 1 H2 LEU 1 3.683 -3.622 -9.916
3 H3 LEU 1 H3 LEU 1 2.993 -4.033 -11.412
4 HA LEU 1 HA LEU 1 1.381 -4.016 -9.553
5 HB2 LEU 1 HB2 LEU 1 1.139 -5.405 -11.654
6 HB3 LEU 1 HB3 LEU 1 1.825 -6.760 -10.757
7 HG LEU 1 HG LEU 1 -0.035 -6.132 -8.990
8 HD11 LEU 1 HD11 LEU 1 -0.576 -4.146 -10.709
9 HD12 LEU 1 HD12 LEU 1 -1.837 -4.910 -9.741
10 HD13 LEU 1 HD13 LEU 1 -1.598 -5.395 -11.421
11 HD21 LEU 1 HD21 LEU 1 -0.339 -8.257 -9.803
12 HD22 LEU 1 HD22 LEU 1 -0.109 -7.758 -11.478
13 HD23 LEU 1 HD23 LEU 1 -1.660 -7.489 -10.683
14 H LYS 2 H LYS 2 3.486 -3.967 -7.896
15 HA LYS 2 HA LYS 2 2.789 -5.976 -5.936
16 HB2 LYS 2 HB2 LYS 2 4.942 -6.963 -5.670
17 HB3 LYS 2 HB3 LYS 2 4.567 -7.059 -7.389
18 HG2 LYS 2 HG2 LYS 2 5.797 -4.560 -7.064
19 HG3 LYS 2 HG3 LYS 2 6.742 -5.663 -6.063
20 HD2 LYS 2 HD2 LYS 2 7.739 -5.827 -8.207
21 HD3 LYS 2 HD3 LYS 2 6.702 -7.249 -8.100
22 HE2 LYS 2 HE2 LYS 2 4.905 -5.959 -9.281
23 HE3 LYS 2 HE3 LYS 2 6.056 -4.641 -9.500
24 HZ1 LYS 2 HZ1 LYS 2 5.760 -6.970 -11.035
25 HZ2 LYS 2 HZ2 LYS 2 7.297 -7.001 -10.312
26 HZ3 LYS 2 HZ3 LYS 2 6.833 -5.679 -11.274
27 H CYS 3 H CYS 3 3.556 -5.456 -3.836
28 HA CYS 3 HA CYS 3 5.118 -3.048 -3.446
29 HB2 CYS 3 HB2 CYS 3 2.239 -3.087 -2.528
30 HB3 CYS 3 HB3 CYS 3 3.394 -1.768 -2.344
31 H TYR 4 H TYR 4 4.278 -2.478 -0.848
32 HA TYR 4 HA TYR 4 5.459 -4.726 0.574
33 HB2 TYR 4 HB2 TYR 4 4.838 -1.869 1.262
34 HB3 TYR 4 HB3 TYR 4 5.235 -3.036 2.524
35 HD1 TYR 4 HD2 TYR 4 7.361 -4.511 2.090
36 HD2 TYR 4 HD1 TYR 4 6.570 -0.769 0.136
37 HE1 TYR 4 HE2 TYR 4 9.766 -4.290 1.546
38 HE2 TYR 4 HE1 TYR 4 8.978 -0.546 -0.410
39 HH TYR 4 HH TYR 4 11.317 -1.932 1.010
40 H GLN 5 H GLN 5 3.828 -6.248 0.573
41 HA GLN 5 HA GLN 5 1.235 -5.564 1.742
42 HB2 GLN 5 HB2 GLN 5 1.652 -7.130 -0.298
43 HB3 GLN 5 HB3 GLN 5 2.060 -8.332 0.927
44 HG2 GLN 5 HG2 GLN 5 -0.240 -7.315 1.971
45 HG3 GLN 5 HG3 GLN 5 -0.564 -7.146 0.247
46 HE21 GLN 5 HE21 GLN 5 -2.153 -8.892 0.284
47 HE22 GLN 5 HE22 GLN 5 -1.675 -10.511 0.451
48 H HIS 6 H HIS 6 4.105 -7.501 2.447
49 HA HIS 6 HA HIS 6 3.142 -7.763 5.229
50 HB2 HIS 6 HB2 HIS 6 4.236 -9.873 3.398
51 HB3 HIS 6 HB3 HIS 6 4.511 -9.994 5.136
52 HD1 HIS 6 HD1 HIS 6 1.878 -10.326 2.537
53 HD2 HIS 6 HD2 HIS 6 2.083 -10.256 6.700
54 HE1 HIS 6 HE1 HIS 6 -0.356 -11.172 3.378
55 H GLY 7 H GLY 7 4.749 -5.682 4.439
56 HA2 GLY 7 HA2 GLY 7 6.638 -4.608 5.236
57 HA3 GLY 7 HA3 GLY 7 7.068 -6.088 6.089
58 H LYS 8 H LYS 8 6.443 -6.980 2.994
59 HA LYS 8 HA LYS 8 9.171 -6.437 2.022
60 HB2 LYS 8 HB2 LYS 8 8.074 -9.135 1.470
61 HB3 LYS 8 HB3 LYS 8 9.734 -8.636 1.790
62 HG2 LYS 8 HG2 LYS 8 8.944 -8.191 4.205
63 HG3 LYS 8 HG3 LYS 8 7.516 -9.135 3.776
64 HD2 LYS 8 HD2 LYS 8 10.398 -10.067 3.638
65 HD3 LYS 8 HD3 LYS 8 9.171 -10.616 4.781
66 HE2 LYS 8 HE2 LYS 8 8.970 -12.297 3.217
67 HE3 LYS 8 HE3 LYS 8 7.846 -11.134 2.513
68 HZ1 LYS 8 HZ1 LYS 8 10.422 -12.008 1.561
69 HZ2 LYS 8 HZ2 LYS 8 10.212 -10.324 1.520
70 HZ3 LYS 8 HZ3 LYS 8 9.119 -11.339 0.706
71 H VAL 9 H VAL 9 9.359 -6.242 -0.188
72 HA VAL 9 HA VAL 9 7.070 -5.453 -1.645
73 HB VAL 9 HB VAL 9 9.795 -6.264 -2.688
74 HG11 VAL 9 HG11 VAL 9 7.503 -4.677 -3.874
75 HG12 VAL 9 HG12 VAL 9 8.203 -6.172 -4.496
76 HG13 VAL 9 HG13 VAL 9 9.133 -4.674 -4.543
77 HG21 VAL 9 HG21 VAL 9 9.960 -4.490 -1.006
78 HG22 VAL 9 HG22 VAL 9 8.678 -3.582 -1.808
79 HG23 VAL 9 HG23 VAL 9 10.231 -3.811 -2.610
80 H VAL 10 H VAL 10 5.492 -6.969 -1.887
81 HA VAL 10 HA VAL 10 6.180 -9.304 -3.547
82 HB VAL 10 HB VAL 10 4.587 -10.675 -2.176
83 HG11 VAL 10 HG11 VAL 10 6.670 -11.333 -1.536
84 HG12 VAL 10 HG12 VAL 10 6.304 -10.441 -0.060
85 HG13 VAL 10 HG13 VAL 10 7.238 -9.675 -1.343
86 HG21 VAL 10 HG21 VAL 10 4.942 -8.637 0.003
87 HG22 VAL 10 HG22 VAL 10 3.706 -9.885 -0.163
88 HG23 VAL 10 HG23 VAL 10 3.636 -8.434 -1.164
89 H THR 11 H THR 11 4.351 -10.198 -4.703
90 HA THR 11 HA THR 11 2.619 -8.152 -5.724
91 HB THR 11 HB THR 11 2.622 -11.141 -6.208
92 HG1 THR 11 HG1 THR 11 4.510 -9.797 -6.790
93 HG21 THR 11 HG21 THR 11 0.476 -10.204 -6.810
94 HG22 THR 11 HG22 THR 11 1.390 -10.463 -8.295
95 HG23 THR 11 HG23 THR 11 1.247 -8.841 -7.619
96 H CYS 12 H CYS 12 0.658 -7.591 -5.026
97 HA CYS 12 HA CYS 12 -0.523 -8.880 -2.754
98 HB2 CYS 12 HB2 CYS 12 -1.775 -6.811 -4.569
99 HB3 CYS 12 HB3 CYS 12 -2.220 -7.182 -2.903
100 H HIS 13 H HIS 13 -3.148 -9.029 -3.077
101 HA HIS 13 HA HIS 13 -3.529 -11.440 -4.535
102 HB2 HIS 13 HB2 HIS 13 -4.831 -10.415 -2.477
103 HB3 HIS 13 HB3 HIS 13 -5.846 -9.723 -3.743
104 HD1 HIS 13 HD1 HIS 13 -4.402 -12.880 -4.824
105 HD2 HIS 13 HD2 HIS 13 -7.774 -11.745 -2.652
106 HE1 HIS 13 HE1 HIS 13 -5.960 -14.878 -4.822
107 H ARG 14 H ARG 14 -5.213 -11.729 -6.220
108 HA ARG 14 HA ARG 14 -4.679 -10.092 -8.470
109 HB2 ARG 14 HB2 ARG 14 -5.686 -12.588 -8.148
110 HB3 ARG 14 HB3 ARG 14 -7.168 -11.694 -8.489
111 HG2 ARG 14 HG2 ARG 14 -6.306 -10.882 -10.572
112 HG3 ARG 14 HG3 ARG 14 -4.678 -11.446 -10.192
113 HD2 ARG 14 HD2 ARG 14 -5.623 -13.047 -11.709
114 HD3 ARG 14 HD3 ARG 14 -5.618 -13.795 -10.114
115 HE ARG 14 HE ARG 14 -8.088 -12.428 -10.738
116 HH11 ARG 14 HH21 ARG 14 -6.236 -15.337 -11.020
117 HH12 ARG 14 HH22 ARG 14 -7.618 -16.363 -11.211
118 HH21 ARG 14 HH11 ARG 14 -9.908 -13.771 -10.990
119 HH22 ARG 14 HH12 ARG 14 -9.694 -15.478 -11.194
120 H ASP 15 H ASP 15 -7.206 -10.084 -6.042
121 HA ASP 15 HA ASP 15 -9.023 -8.383 -7.418
122 HB2 ASP 15 HB2 ASP 15 -8.654 -9.236 -4.570
123 HB3 ASP 15 HB3 ASP 15 -9.758 -7.915 -4.941
124 H MET 16 H MET 16 -6.300 -7.788 -5.247
125 HA MET 16 HA MET 16 -6.782 -4.988 -4.956
126 HB2 MET 16 HB2 MET 16 -4.272 -6.629 -4.542
127 HB3 MET 16 HB3 MET 16 -4.489 -4.957 -4.032
128 HG2 MET 16 HG2 MET 16 -5.690 -5.560 -2.216
129 HG3 MET 16 HG3 MET 16 -6.683 -6.673 -3.155
130 HE1 MET 16 HE1 MET 16 -5.618 -8.572 -0.162
131 HE2 MET 16 HE2 MET 16 -6.490 -9.255 -1.532
132 HE3 MET 16 HE3 MET 16 -6.811 -7.597 -1.029
133 H LYS 17 H LYS 17 -6.233 -3.344 -6.255
134 HA LYS 17 HA LYS 17 -4.350 -3.881 -8.472
135 HB2 LYS 17 HB2 LYS 17 -7.078 -2.657 -8.515
136 HB3 LYS 17 HB3 LYS 17 -5.861 -2.048 -9.639
137 HG2 LYS 17 HG2 LYS 17 -5.498 -4.285 -10.530
138 HG3 LYS 17 HG3 LYS 17 -6.597 -4.973 -9.333
139 HD2 LYS 17 HD2 LYS 17 -7.707 -2.772 -10.983
140 HD3 LYS 17 HD3 LYS 17 -7.380 -4.282 -11.836
141 HE2 LYS 17 HE2 LYS 17 -8.944 -4.124 -9.246
142 HE3 LYS 17 HE3 LYS 17 -9.696 -4.142 -10.841
143 HZ1 LYS 17 HZ1 LYS 17 -8.209 -6.232 -11.156
144 HZ2 LYS 17 HZ2 LYS 17 -9.682 -6.356 -10.318
145 HZ3 LYS 17 HZ3 LYS 17 -8.218 -6.271 -9.460
146 H PHE 18 H PHE 18 -5.071 -2.053 -5.757
147 HA PHE 18 HA PHE 18 -3.193 0.065 -6.612
148 HB2 PHE 18 HB2 PHE 18 -5.565 0.476 -4.785
149 HB3 PHE 18 HB3 PHE 18 -4.481 1.710 -5.420
150 HD1 PHE 18 HD2 PHE 18 -4.182 1.149 -8.218
151 HD2 PHE 18 HD1 PHE 18 -7.670 0.683 -5.752
152 HE1 PHE 18 HE2 PHE 18 -5.627 1.365 -10.219
153 HE2 PHE 18 HE1 PHE 18 -9.114 0.904 -7.755
154 HZ PHE 18 HZ PHE 18 -8.092 1.243 -9.989
155 H CYS 19 H CYS 19 -1.608 0.579 -5.203
156 HA CYS 19 HA CYS 19 -1.435 -1.014 -2.738
157 HB2 CYS 19 HB2 CYS 19 0.642 0.573 -4.274
158 HB3 CYS 19 HB3 CYS 19 0.953 -0.250 -2.746
159 H TYR 20 H TYR 20 -1.024 0.007 -0.719
160 HA TYR 20 HA TYR 20 -1.277 2.933 -0.723
161 HB2 TYR 20 HB2 TYR 20 -3.025 2.948 0.878
162 HB3 TYR 20 HB3 TYR 20 -3.517 1.799 -0.363
163 HD1 TYR 20 HD2 TYR 20 -2.282 2.179 3.089
164 HD2 TYR 20 HD1 TYR 20 -3.557 -0.598 0.070
165 HE1 TYR 20 HE2 TYR 20 -2.453 0.395 4.802
166 HE2 TYR 20 HE1 TYR 20 -3.730 -2.382 1.784
167 HH TYR 20 HH TYR 20 -2.665 -2.846 4.067
168 H HIS 21 H HIS 21 -0.417 3.987 1.039
169 HA HIS 21 HA HIS 21 1.190 2.344 2.901
170 HB2 HIS 21 HB2 HIS 21 2.501 3.562 1.049
171 HB3 HIS 21 HB3 HIS 21 2.057 5.050 1.885
172 HD1 HIS 21 HD1 HIS 21 4.863 3.072 1.691
173 HD2 HIS 21 HD2 HIS 21 2.607 4.309 4.971
174 HE1 HIS 21 HE1 HIS 21 6.375 2.882 3.714
175 H ASN 22 H ASN 22 0.540 2.665 4.933
176 HA ASN 22 HA ASN 22 -0.818 5.204 5.569
177 HB2 ASN 22 HB2 ASN 22 -2.144 3.133 5.870
178 HB3 ASN 22 HB3 ASN 22 -0.948 2.560 7.031
179 HD21 ASN 22 HD21 ASN 22 -0.932 3.521 9.149
180 HD22 ASN 22 HD22 ASN 22 -2.127 4.613 9.658
181 H THR 23 H THR 23 0.076 6.586 6.940
182 HA THR 23 HA THR 23 2.415 5.683 8.507
183 HB THR 23 HB THR 23 2.986 7.415 6.893
184 HG1 THR 23 HG1 THR 23 4.114 7.706 8.718
185 HG21 THR 23 HG21 THR 23 0.955 9.174 8.282
186 HG22 THR 23 HG22 THR 23 0.622 8.323 6.774
187 HG23 THR 23 HG23 THR 23 1.889 9.549 6.835
188 H GLY 24 H GLY 24 -0.803 6.730 8.704
189 HA2 GLY 24 HA2 GLY 24 -0.573 7.914 11.357
190 HA3 GLY 24 HA3 GLY 24 -2.056 7.695 10.432
191 H MET 25 H MET 25 -3.230 6.724 12.078
192 HA MET 25 HA MET 25 -3.768 5.128 13.691
193 HB2 MET 25 HB2 MET 25 -3.073 3.590 11.189
194 HB3 MET 25 HB3 MET 25 -3.799 2.827 12.604
195 HG2 MET 25 HG2 MET 25 -5.573 4.714 12.449
196 HG3 MET 25 HG3 MET 25 -4.965 4.950 10.810
197 HE1 MET 25 HE1 MET 25 -7.938 3.237 12.479
198 HE2 MET 25 HE2 MET 25 -6.471 2.936 13.407
199 HE3 MET 25 HE3 MET 25 -7.324 1.588 12.660
200 HA PRO 26 HA PRO 26 0.712 4.148 14.698
201 HB2 PRO 26 HB2 PRO 26 0.662 5.387 17.160
202 HB3 PRO 26 HB3 PRO 26 1.173 6.178 15.657
203 HG2 PRO 26 HG2 PRO 26 -1.414 6.354 17.106
204 HG3 PRO 26 HG3 PRO 26 -0.523 7.603 16.220
205 HD2 PRO 26 HD2 PRO 26 -2.714 6.325 15.191
206 HD3 PRO 26 HD3 PRO 26 -1.407 6.977 14.179
207 H PHE 27 H PHE 27 -0.967 2.146 14.749
208 HA PHE 27 HA PHE 27 -1.767 1.345 17.408
209 HB2 PHE 27 HB2 PHE 27 -3.048 0.656 15.405
210 HB3 PHE 27 HB3 PHE 27 -1.655 -0.272 14.851
211 HD1 PHE 27 HD2 PHE 27 -4.097 0.072 17.645
212 HD2 PHE 27 HD1 PHE 27 -1.199 -2.441 15.709
213 HE1 PHE 27 HE2 PHE 27 -4.793 -1.832 19.073
214 HE2 PHE 27 HE1 PHE 27 -1.896 -4.345 17.137
215 HZ PHE 27 HZ PHE 27 -3.694 -4.041 18.819
216 H ARG 28 H ARG 28 1.113 1.266 15.634
217 HA ARG 28 HA ARG 28 2.162 -1.037 17.143
218 HB2 ARG 28 HB2 ARG 28 2.716 0.138 14.523
219 HB3 ARG 28 HB3 ARG 28 4.178 -0.173 15.459
220 HG2 ARG 28 HG2 ARG 28 3.647 -2.484 15.713
221 HG3 ARG 28 HG3 ARG 28 1.993 -2.240 15.150
222 HD2 ARG 28 HD2 ARG 28 3.075 -3.141 13.264
223 HD3 ARG 28 HD3 ARG 28 3.092 -1.407 12.952
224 HE ARG 28 HE ARG 28 5.399 -1.503 13.053
225 HH11 ARG 28 HH21 ARG 28 4.000 -4.177 14.747
226 HH12 ARG 28 HH22 ARG 28 5.521 -4.927 15.100
227 HH21 ARG 28 HH11 ARG 28 7.397 -2.481 13.509
228 HH22 ARG 28 HH12 ARG 28 7.444 -3.968 14.397
229 H ASN 29 H ASN 29 4.715 -0.598 17.492
230 HA ASN 29 HA ASN 29 4.919 1.985 18.921
231 HB2 ASN 29 HB2 ASN 29 4.781 -0.431 20.159
232 HB3 ASN 29 HB3 ASN 29 6.523 -0.273 19.943
233 HD21 ASN 29 HD21 ASN 29 3.803 1.925 20.886
234 HD22 ASN 29 HD22 ASN 29 4.642 2.626 22.185
235 H LEU 30 H LEU 30 6.240 -0.143 16.617
236 HA LEU 30 HA LEU 30 8.520 1.643 16.241
237 HB2 LEU 30 HB2 LEU 30 9.279 -0.200 17.786
238 HB3 LEU 30 HB3 LEU 30 8.948 -1.340 16.481
239 HG LEU 30 HG LEU 30 10.481 -0.003 15.008
240 HD11 LEU 30 HD11 LEU 30 12.118 1.396 16.613
241 HD12 LEU 30 HD12 LEU 30 10.620 1.592 17.524
242 HD13 LEU 30 HD13 LEU 30 10.710 2.129 15.846
243 HD21 LEU 30 HD21 LEU 30 11.655 -1.082 17.593
244 HD22 LEU 30 HD22 LEU 30 12.567 -0.798 16.110
245 HD23 LEU 30 HD23 LEU 30 11.297 -2.021 16.143
246 H LYS 31 H LYS 31 9.485 1.458 14.152
247 HA LYS 31 HA LYS 31 9.088 1.491 11.856
248 HB2 LYS 31 HB2 LYS 31 10.313 -0.678 12.481
249 HB3 LYS 31 HB3 LYS 31 8.756 -1.478 12.256
250 HG2 LYS 31 HG2 LYS 31 9.250 -1.582 10.057
251 HG3 LYS 31 HG3 LYS 31 9.011 0.165 10.012
252 HD2 LYS 31 HD2 LYS 31 11.218 -0.439 9.093
253 HD3 LYS 31 HD3 LYS 31 11.394 0.505 10.571
254 HE2 LYS 31 HE2 LYS 31 12.315 -1.229 11.716
255 HE3 LYS 31 HE3 LYS 31 11.214 -2.407 11.002
256 HZ1 LYS 31 HZ1 LYS 31 13.850 -2.046 10.361
257 HZ2 LYS 31 HZ2 LYS 31 13.009 -1.325 9.071
258 HZ3 LYS 31 HZ3 LYS 31 12.715 -2.948 9.479
259 H LEU 32 H LEU 32 6.774 2.290 12.925
260 HA LEU 32 HA LEU 32 4.448 0.912 12.759
261 HB2 LEU 32 HB2 LEU 32 3.485 3.097 11.727
262 HB3 LEU 32 HB3 LEU 32 4.221 3.167 13.328
263 HG LEU 32 HG LEU 32 6.111 3.535 11.089
264 HD11 LEU 32 HD11 LEU 32 3.709 5.272 11.467
265 HD12 LEU 32 HD12 LEU 32 4.601 4.897 9.992
266 HD13 LEU 32 HD13 LEU 32 5.252 6.064 11.143
267 HD21 LEU 32 HD21 LEU 32 5.682 5.469 13.331
268 HD22 LEU 32 HD22 LEU 32 7.191 4.881 12.633
269 HD23 LEU 32 HD23 LEU 32 6.272 3.856 13.736
270 H ILE 33 H ILE 33 4.728 -0.792 11.226
271 HA ILE 33 HA ILE 33 4.711 -0.030 8.391
272 HB ILE 33 HB ILE 33 6.262 -1.807 9.096
273 HG12 ILE 33 HG12 ILE 33 5.158 -3.668 7.569
274 HG13 ILE 33 HG13 ILE 33 3.987 -2.395 7.230
275 HG21 ILE 33 HG21 ILE 33 5.648 -3.443 10.516
276 HG22 ILE 33 HG22 ILE 33 4.270 -3.881 9.506
277 HG23 ILE 33 HG23 ILE 33 4.111 -2.602 10.710
278 HD11 ILE 33 HD11 ILE 33 6.049 -0.892 6.787
279 HD12 ILE 33 HD12 ILE 33 5.638 -2.096 5.566
280 HD13 ILE 33 HD13 ILE 33 6.955 -2.403 6.698
281 H LEU 34 H LEU 34 2.669 0.657 7.920
282 HA LEU 34 HA LEU 34 0.493 -1.292 8.374
283 HB2 LEU 34 HB2 LEU 34 0.412 1.726 8.537
284 HB3 LEU 34 HB3 LEU 34 -1.036 0.724 8.439
285 HG LEU 34 HG LEU 34 0.278 -0.547 10.442
286 HD11 LEU 34 HD11 LEU 34 2.141 0.970 10.559
287 HD12 LEU 34 HD12 LEU 34 1.115 1.316 11.950
288 HD13 LEU 34 HD13 LEU 34 1.073 2.375 10.540
289 HD21 LEU 34 HD21 LEU 34 -2.065 0.316 10.436
290 HD22 LEU 34 HD22 LEU 34 -1.444 1.929 10.790
291 HD23 LEU 34 HD23 LEU 34 -1.239 0.628 11.962
292 H GLN 35 H GLN 35 2.397 -0.677 6.087
293 HA GLN 35 HA GLN 35 0.644 0.354 4.010
294 HB2 GLN 35 HB2 GLN 35 2.717 -0.454 2.593
295 HB3 GLN 35 HB3 GLN 35 2.817 1.004 3.579
296 HG2 GLN 35 HG2 GLN 35 3.495 -1.586 4.890
297 HG3 GLN 35 HG3 GLN 35 4.660 -0.924 3.744
298 HE21 GLN 35 HE21 GLN 35 5.940 0.836 4.441
299 HE22 GLN 35 HE22 GLN 35 5.745 1.607 5.941
300 H GLY 36 H GLY 36 -0.398 -0.801 2.480
301 HA2 GLY 36 HA2 GLY 36 0.145 -3.607 2.024
302 HA3 GLY 36 HA3 GLY 36 -1.389 -3.295 2.834
303 H CYS 37 H CYS 37 -2.348 -4.257 0.890
304 HA CYS 37 HA CYS 37 -2.522 -2.302 -1.326
305 HB2 CYS 37 HB2 CYS 37 -3.301 -5.075 -1.919
306 HB3 CYS 37 HB3 CYS 37 -2.326 -3.951 -2.863
307 H SER 38 H SER 38 -4.615 -2.408 -2.517
308 HA SER 38 HA SER 38 -6.907 -3.582 -1.254
309 HB2 SER 38 HB2 SER 38 -6.559 -1.743 0.322
310 HB3 SER 38 HB3 SER 38 -6.527 -0.588 -1.008
311 HG SER 38 HG SER 38 -8.597 -0.860 0.102
312 H SER 39 H SER 39 -8.802 -3.350 -2.503
313 HA SER 39 HA SER 39 -8.304 -2.779 -5.292
314 HB2 SER 39 HB2 SER 39 -11.057 -3.194 -4.921
315 HB3 SER 39 HB3 SER 39 -9.867 -4.374 -5.465
316 HG SER 39 HG SER 39 -10.883 -3.890 -2.884
317 H SER 40 H SER 40 -10.002 -1.271 -2.607
318 HA SER 40 HA SER 40 -10.487 1.082 -4.329
319 HB2 SER 40 HB2 SER 40 -12.639 1.387 -3.487
320 HB3 SER 40 HB3 SER 40 -12.550 -0.364 -3.645
321 HG SER 40 HG SER 40 -11.538 0.448 -1.279
322 H CYS 41 H CYS 41 -8.226 1.311 -3.216
323 HA CYS 41 HA CYS 41 -8.029 1.984 -0.484
324 HB2 CYS 41 HB2 CYS 41 -6.103 1.486 -1.980
325 HB3 CYS 41 HB3 CYS 41 -6.370 3.030 -2.786
326 H SER 42 H SER 42 -7.913 4.032 0.541
327 HA SER 42 HA SER 42 -9.446 6.139 -0.857
328 HB2 SER 42 HB2 SER 42 -10.094 4.970 1.483
329 HB3 SER 42 HB3 SER 42 -9.072 6.273 2.083
330 HG SER 42 HG SER 42 -10.888 7.349 1.864
331 H GLU 43 H GLU 43 -7.671 7.115 -1.882
332 HA GLU 43 HA GLU 43 -5.219 7.791 -0.782
333 HB2 GLU 43 HB2 GLU 43 -6.051 8.092 -3.192
334 HB3 GLU 43 HB3 GLU 43 -6.712 9.633 -2.643
335 HG2 GLU 43 HG2 GLU 43 -4.354 10.095 -1.697
336 HG3 GLU 43 HG3 GLU 43 -3.825 8.754 -2.713
337 H THR 44 H THR 44 -4.940 8.729 1.138
338 HA THR 44 HA THR 44 -6.326 11.285 1.641
339 HB THR 44 HB THR 44 -6.375 10.584 4.090
340 HG1 THR 44 HG1 THR 44 -5.144 8.493 3.032
341 HG21 THR 44 HG21 THR 44 -8.280 10.488 2.270
342 HG22 THR 44 HG22 THR 44 -8.529 9.745 3.850
343 HG23 THR 44 HG23 THR 44 -8.094 8.745 2.463
344 H GLU 45 H GLU 45 -5.191 12.033 3.965
345 HA GLU 45 HA GLU 45 -2.473 12.617 3.162
346 HB2 GLU 45 HB2 GLU 45 -4.175 13.441 5.517
347 HB3 GLU 45 HB3 GLU 45 -2.480 13.903 5.367
348 HG2 GLU 45 HG2 GLU 45 -3.101 15.609 4.043
349 HG3 GLU 45 HG3 GLU 45 -3.677 14.439 2.857
350 H ASN 46 H ASN 46 -4.112 10.634 5.560
351 HA ASN 46 HA ASN 46 -1.630 9.891 6.876
352 HB2 ASN 46 HB2 ASN 46 -3.433 9.968 8.374
353 HB3 ASN 46 HB3 ASN 46 -4.526 9.166 7.247
354 HD21 ASN 46 HD21 ASN 46 -4.847 7.700 9.255
355 HD22 ASN 46 HD22 ASN 46 -3.769 6.401 9.439
356 H ASN 47 H ASN 47 -4.025 8.451 4.709
357 HA ASN 47 HA ASN 47 -2.112 6.261 4.190
358 HB2 ASN 47 HB2 ASN 47 -3.878 5.109 5.147
359 HB3 ASN 47 HB3 ASN 47 -5.086 6.231 4.523
360 HD21 ASN 47 HD21 ASN 47 -6.190 4.176 3.721
361 HD22 ASN 47 HD22 ASN 47 -5.670 3.511 2.248
362 H LYS 48 H LYS 48 -1.212 6.507 2.276
363 HA LYS 48 HA LYS 48 -2.645 7.940 0.152
364 HB2 LYS 48 HB2 LYS 48 0.215 6.953 0.191
365 HB3 LYS 48 HB3 LYS 48 -0.500 8.081 -0.962
366 HG2 LYS 48 HG2 LYS 48 0.337 9.666 0.445
367 HG3 LYS 48 HG3 LYS 48 -1.109 9.313 1.392
368 HD2 LYS 48 HD2 LYS 48 0.306 7.457 2.504
369 HD3 LYS 48 HD3 LYS 48 1.698 8.284 1.804
370 HE2 LYS 48 HE2 LYS 48 0.369 10.393 2.897
371 HE3 LYS 48 HE3 LYS 48 -0.070 9.115 4.031
372 HZ1 LYS 48 HZ1 LYS 48 2.322 10.504 3.901
373 HZ2 LYS 48 HZ2 LYS 48 2.670 8.925 3.378
374 HZ3 LYS 48 HZ3 LYS 48 1.951 9.182 4.896
375 H CYS 49 H CYS 49 -2.482 7.075 -2.080
376 HA CYS 49 HA CYS 49 -2.330 4.139 -2.228
377 HB2 CYS 49 HB2 CYS 49 -4.578 5.579 -3.601
378 HB3 CYS 49 HB3 CYS 49 -4.431 3.870 -3.198
379 H CYS 50 H CYS 50 -1.087 3.555 -3.882
380 HA CYS 50 HA CYS 50 -0.881 5.388 -6.196
381 HB2 CYS 50 HB2 CYS 50 1.471 4.289 -6.393
382 HB3 CYS 50 HB3 CYS 50 1.222 5.571 -5.208
383 H SER 51 H SER 51 0.525 3.855 -7.930
384 HA SER 51 HA SER 51 -0.801 1.251 -8.123
385 HB2 SER 51 HB2 SER 51 -0.888 2.727 -10.657
386 HB3 SER 51 HB3 SER 51 -2.117 1.724 -9.893
387 HG SER 51 HG SER 51 -2.015 3.736 -8.343
388 H THR 52 H THR 52 1.980 2.276 -7.758
389 HA THR 52 HA THR 52 3.161 0.908 -10.095
390 HB THR 52 HB THR 52 4.262 3.350 -8.685
391 HG1 THR 52 HG1 THR 52 2.492 3.307 -10.441
392 HG21 THR 52 HG21 THR 52 5.406 1.400 -10.652
393 HG22 THR 52 HG22 THR 52 6.183 2.181 -9.275
394 HG23 THR 52 HG23 THR 52 5.878 3.096 -10.752
395 H ASP 53 H ASP 53 5.291 -0.039 -9.665
396 HA ASP 53 HA ASP 53 5.275 -1.708 -7.412
397 HB2 ASP 53 HB2 ASP 53 6.483 -2.501 -9.252
398 HB3 ASP 53 HB3 ASP 53 7.365 -0.989 -9.446
399 H ARG 54 H ARG 54 6.161 -1.613 -5.427
400 HA ARG 54 HA ARG 54 6.893 -0.569 -3.500
401 HB2 ARG 54 HB2 ARG 54 8.996 -1.166 -5.112
402 HB3 ARG 54 HB3 ARG 54 9.241 0.566 -4.883
403 HG2 ARG 54 HG2 ARG 54 9.145 0.291 -2.453
404 HG3 ARG 54 HG3 ARG 54 8.813 -1.431 -2.642
405 HD2 ARG 54 HD2 ARG 54 11.313 -0.042 -3.646
406 HD3 ARG 54 HD3 ARG 54 11.213 -0.959 -2.145
407 HE ARG 54 HE ARG 54 10.335 -2.735 -4.013
408 HH11 ARG 54 HH21 ARG 54 13.091 -0.662 -3.730
409 HH12 ARG 54 HH22 ARG 54 14.146 -1.714 -4.614
410 HH21 ARG 54 HH11 ARG 54 11.712 -4.121 -5.173
411 HH22 ARG 54 HH12 ARG 54 13.365 -3.672 -5.431
412 H CYS 55 H CYS 55 5.030 0.980 -4.778
413 HA CYS 55 HA CYS 55 6.058 3.705 -4.951
414 HB2 CYS 55 HB2 CYS 55 3.743 4.258 -5.592
415 HB3 CYS 55 HB3 CYS 55 4.388 2.940 -6.569
416 H ASN 56 H ASN 56 4.420 1.625 -2.708
417 HA ASN 56 HA ASN 56 2.923 3.041 -1.047
418 HB2 ASN 56 HB2 ASN 56 3.577 1.678 0.705
419 HB3 ASN 56 HB3 ASN 56 4.147 0.749 -0.680
420 HD21 ASN 56 HD21 ASN 56 5.161 1.479 2.305
421 HD22 ASN 56 HD22 ASN 56 6.828 1.669 2.043
422 H LYS 57 H LYS 57 6.398 3.570 -1.422
423 HA LYS 57 HA LYS 57 6.513 5.593 0.631
424 HB2 LYS 57 HB2 LYS 57 8.787 6.041 -0.571
425 HB3 LYS 57 HB3 LYS 57 8.571 4.539 0.327
426 HG2 LYS 57 HG2 LYS 57 8.161 3.291 -1.666
427 HG3 LYS 57 HG3 LYS 57 7.972 4.756 -2.628
428 HD2 LYS 57 HD2 LYS 57 10.544 4.687 -1.255
429 HD3 LYS 57 HD3 LYS 57 10.327 3.294 -2.314
430 HE2 LYS 57 HE2 LYS 57 11.342 5.210 -3.518
431 HE3 LYS 57 HE3 LYS 57 9.769 4.777 -4.187
432 HZ1 LYS 57 HZ1 LYS 57 9.092 6.544 -2.291
433 HZ2 LYS 57 HZ2 LYS 57 9.340 6.943 -3.924
434 HZ3 LYS 57 HZ3 LYS 57 10.585 7.172 -2.791
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