Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637234 | 6o3q RC | 30579 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 11.423 5.254 -11.685
2 H2 ARG 1 HT2 ARG 1 11.612 4.997 -13.346
3 H3 ARG 1 HT3 ARG 1 12.023 3.789 -12.240
4 HA ARG 1 HA ARG 1 9.310 4.822 -12.697
5 HB2 ARG 1 HB2 ARG 1 10.154 3.428 -14.547
6 HB3 ARG 1 HB1 ARG 1 10.603 2.173 -13.406
7 HG2 ARG 1 HG2 ARG 1 8.574 1.532 -14.502
8 HG3 ARG 1 HG1 ARG 1 8.204 1.923 -12.823
9 HD2 ARG 1 HD2 ARG 1 7.400 4.128 -13.515
10 HD3 ARG 1 HD1 ARG 1 7.791 3.746 -15.192
11 HE ARG 1 HE ARG 1 5.909 2.088 -13.688
12 HH11 ARG 1 HH11 ARG 1 6.523 4.295 -16.399
13 HH12 ARG 1 HH12 ARG 1 5.037 4.005 -17.159
14 HH21 ARG 1 HH21 ARG 1 3.814 1.713 -14.758
15 HH22 ARG 1 HH22 ARG 1 3.486 2.528 -16.218
16 H GLY 2 H GLY 2 8.158 4.656 -10.867
17 HA2 GLY 2 HA2 GLY 2 8.715 2.399 -9.113
18 HA3 GLY 2 HA1 GLY 2 8.597 4.032 -8.459
19 HA PRO 3 HA PRO 3 4.268 2.255 -9.298
20 HB2 PRO 3 HB2 PRO 3 3.792 0.504 -7.332
21 HB3 PRO 3 HB1 PRO 3 4.589 -0.012 -8.822
22 HG2 PRO 3 HG2 PRO 3 5.817 0.686 -6.177
23 HG3 PRO 3 HG1 PRO 3 6.144 -0.713 -7.215
24 HD2 PRO 3 HD2 PRO 3 7.722 1.493 -7.203
25 HD3 PRO 3 HD1 PRO 3 7.468 0.503 -8.653
26 H ASP 4 H ASP 4 2.394 2.535 -7.654
27 HA ASP 4 HA ASP 4 2.908 4.860 -6.073
28 HB2 ASP 4 HB2 ASP 4 0.644 4.379 -7.127
29 HB3 ASP 4 HB1 ASP 4 0.482 3.088 -5.921
30 H LYS 5 H LYS 5 2.348 4.938 -3.827
31 HA LYS 5 HA LYS 5 3.940 3.077 -2.374
32 HB2 LYS 5 HB2 LYS 5 3.261 4.306 -0.350
33 HB3 LYS 5 HB1 LYS 5 3.932 5.346 -1.605
34 HG2 LYS 5 HG2 LYS 5 1.714 6.113 -2.168
35 HG3 LYS 5 HG1 LYS 5 1.004 4.983 -1.019
36 HD2 LYS 5 HD2 LYS 5 2.231 6.127 0.809
37 HD3 LYS 5 HD1 LYS 5 2.844 7.281 -0.371
38 HE2 LYS 5 HE2 LYS 5 -0.079 6.810 0.152
39 HE3 LYS 5 HE1 LYS 5 0.874 8.060 0.945
40 HZ1 LYS 5 HZ1 LYS 5 0.460 7.855 -2.006
41 HZ2 LYS 5 HZ2 LYS 5 1.283 9.081 -1.168
42 HZ3 LYS 5 HZ3 LYS 5 -0.358 8.878 -0.941
43 H SER 6 H SER 6 0.556 3.432 -2.929
44 HA SER 6 HA SER 6 -0.357 1.586 -0.966
45 HB2 SER 6 HB2 SER 6 -1.659 2.191 -3.625
46 HB3 SER 6 HB1 SER 6 -2.448 1.702 -2.122
47 HG SER 6 HG SER 6 -1.317 4.145 -2.859
48 H TYR 7 H TYR 7 1.029 1.288 -4.138
49 HA TYR 7 HA TYR 7 0.302 -1.480 -4.489
50 HB2 TYR 7 HB2 TYR 7 0.773 0.160 -6.391
51 HB3 TYR 7 HB1 TYR 7 2.461 0.067 -5.918
52 HD1 TYR 7 HD1 TYR 7 3.792 -1.876 -6.449
53 HD2 TYR 7 HD2 TYR 7 -0.350 -1.776 -7.389
54 HE1 TYR 7 HE1 TYR 7 4.071 -3.850 -7.876
55 HE2 TYR 7 HE2 TYR 7 -0.076 -3.754 -8.819
56 HH TYR 7 HH TYR 7 2.635 -5.683 -8.701
57 H LYS 8 H LYS 8 2.999 0.416 -3.358
58 HA LYS 8 HA LYS 8 4.834 -1.631 -2.819
59 HB2 LYS 8 HB2 LYS 8 5.409 0.741 -2.737
60 HB3 LYS 8 HB1 LYS 8 4.287 0.976 -1.408
61 HG2 LYS 8 HG2 LYS 8 5.687 -0.443 0.012
62 HG3 LYS 8 HG1 LYS 8 6.815 -0.655 -1.328
63 HD2 LYS 8 HD2 LYS 8 7.617 1.064 0.195
64 HD3 LYS 8 HD1 LYS 8 7.204 1.760 -1.374
65 HE2 LYS 8 HE2 LYS 8 5.105 2.600 -0.487
66 HE3 LYS 8 HE1 LYS 8 5.412 1.810 1.059
67 HZ1 LYS 8 HZ1 LYS 8 5.914 4.181 1.097
68 HZ2 LYS 8 HZ2 LYS 8 7.070 3.988 -0.113
69 HZ3 LYS 8 HZ3 LYS 8 7.276 3.242 1.399
70 H ARG 9 H ARG 9 2.265 -0.177 -0.850
71 HA ARG 9 HA ARG 9 2.425 -1.726 1.463
72 HB2 ARG 9 HB2 ARG 9 -0.035 -0.651 0.074
73 HB3 ARG 9 HB1 ARG 9 -0.026 -1.299 1.701
74 HG2 ARG 9 HG2 ARG 9 1.478 1.138 0.771
75 HG3 ARG 9 HG1 ARG 9 -0.060 1.150 1.633
76 HD2 ARG 9 HD2 ARG 9 2.547 0.050 2.666
77 HD3 ARG 9 HD1 ARG 9 1.814 1.582 3.128
78 HE ARG 9 HE ARG 9 -0.048 -0.416 3.603
79 HH11 ARG 9 HH11 ARG 9 3.106 0.610 4.813
80 HH12 ARG 9 HH12 ARG 9 2.903 -0.065 6.367
81 HH21 ARG 9 HH21 ARG 9 -0.354 -1.324 5.729
82 HH22 ARG 9 HH22 ARG 9 0.878 -1.188 6.910
83 H LEU 10 H LEU 10 0.579 -2.274 -1.481
84 HA LEU 10 HA LEU 10 -0.562 -4.722 -0.843
85 HB2 LEU 10 HB2 LEU 10 -1.371 -3.520 -2.722
86 HB3 LEU 10 HB1 LEU 10 0.203 -3.500 -3.476
87 HG LEU 10 HG LEU 10 0.042 -5.848 -4.012
88 HD11 LEU 10 HD11 LEU 10 -1.120 -6.697 -2.117
89 HD12 LEU 10 HD12 LEU 10 -2.029 -7.123 -3.568
90 HD13 LEU 10 HD13 LEU 10 -2.584 -5.801 -2.529
91 HD21 LEU 10 HD21 LEU 10 -1.839 -5.773 -5.567
92 HD22 LEU 10 HD22 LEU 10 -0.923 -4.266 -5.572
93 HD23 LEU 10 HD23 LEU 10 -2.471 -4.356 -4.731
94 H GLN 11 H GLN 11 2.500 -4.083 -2.488
95 HA GLN 11 HA GLN 11 3.279 -6.716 -2.961
96 HB2 GLN 11 HB2 GLN 11 4.933 -4.261 -2.422
97 HB3 GLN 11 HB1 GLN 11 5.630 -5.795 -2.906
98 HG2 GLN 11 HG2 GLN 11 4.383 -5.711 -4.997
99 HG3 GLN 11 HG1 GLN 11 3.644 -4.190 -4.496
100 HE21 GLN 11 1HE2 GLN 11 4.842 -2.343 -4.530
101 HE22 GLN 11 2HE2 GLN 11 6.401 -2.225 -5.278
102 H GLU 12 H GLU 12 4.097 -4.648 -0.197
103 HA GLU 12 HA GLU 12 5.499 -6.590 1.242
104 HB2 GLU 12 HB2 GLU 12 4.039 -4.107 2.089
105 HB3 GLU 12 HB1 GLU 12 4.956 -5.103 3.213
106 HG2 GLU 12 HG2 GLU 12 6.137 -3.918 0.721
107 HG3 GLU 12 HG1 GLU 12 6.169 -3.115 2.291
108 H CYS 13 H CYS 13 2.111 -5.652 1.311
109 HA CYS 13 HA CYS 13 1.279 -7.275 3.399
110 HB2 CYS 13 HB2 CYS 13 -0.088 -5.481 2.337
111 HB3 CYS 13 HB1 CYS 13 -0.337 -6.542 0.956
112 H GLN 14 H GLN 14 1.240 -8.005 -0.110
113 HA GLN 14 HA GLN 14 0.315 -10.626 0.352
114 HB2 GLN 14 HB2 GLN 14 0.934 -11.111 -2.027
115 HB3 GLN 14 HB1 GLN 14 -0.151 -9.758 -1.805
116 HG2 GLN 14 HG2 GLN 14 1.569 -8.209 -2.197
117 HG3 GLN 14 HG1 GLN 14 2.816 -9.475 -2.235
118 HE21 GLN 14 1HE2 GLN 14 0.229 -7.916 -3.870
119 HE22 GLN 14 2HE2 GLN 14 0.478 -8.616 -5.422
120 H ARG 15 H ARG 15 3.634 -9.361 0.055
121 HA ARG 15 HA ARG 15 4.892 -11.863 0.048
122 HB2 ARG 15 HB2 ARG 15 5.795 -9.228 1.207
123 HB3 ARG 15 HB1 ARG 15 6.809 -10.659 1.154
124 HG2 ARG 15 HG2 ARG 15 5.642 -9.230 -1.210
125 HG3 ARG 15 HG1 ARG 15 7.311 -9.133 -0.662
126 HD2 ARG 15 HD2 ARG 15 5.861 -11.556 -1.755
127 HD3 ARG 15 HD1 ARG 15 7.193 -10.681 -2.500
128 HE ARG 15 HE ARG 15 8.292 -11.485 -0.205
129 HH11 ARG 15 HH11 ARG 15 6.560 -13.282 -2.758
130 HH12 ARG 15 HH12 ARG 15 7.322 -14.754 -2.381
131 HH21 ARG 15 HH21 ARG 15 9.315 -13.523 0.256
132 HH22 ARG 15 HH22 ARG 15 8.902 -14.905 -0.654
133 H ARG 16 H ARG 16 3.822 -9.836 2.734
134 HA ARG 16 HA ARG 16 4.693 -11.543 4.774
135 HB2 ARG 16 HB2 ARG 16 2.424 -9.567 4.735
136 HB3 ARG 16 HB1 ARG 16 2.907 -10.447 6.171
137 HG2 ARG 16 HG2 ARG 16 5.140 -9.411 5.999
138 HG3 ARG 16 HG1 ARG 16 4.551 -8.450 4.636
139 HD2 ARG 16 HD2 ARG 16 4.435 -7.218 6.783
140 HD3 ARG 16 HD1 ARG 16 2.850 -7.434 6.035
141 HE ARG 16 HE ARG 16 3.415 -9.563 7.809
142 HH11 ARG 16 HH11 ARG 16 2.568 -6.134 7.970
143 HH12 ARG 16 HH12 ARG 16 1.672 -6.279 9.404
144 HH21 ARG 16 HH21 ARG 16 2.201 -9.784 9.741
145 HH22 ARG 16 HH22 ARG 16 1.426 -8.439 10.449
146 H CYS 17 H CYS 17 1.571 -11.311 3.215
147 HA CYS 17 HA CYS 17 0.278 -13.315 4.603
148 HB2 CYS 17 HB2 CYS 17 -0.000 -12.524 1.722
149 HB3 CYS 17 HB1 CYS 17 -1.100 -13.620 2.545
150 H GLN 18 H GLN 18 2.479 -13.660 1.874
151 HA GLN 18 HA GLN 18 2.056 -16.429 1.480
152 HB2 GLN 18 HB2 GLN 18 4.353 -14.646 0.728
153 HB3 GLN 18 HB1 GLN 18 4.150 -16.301 0.154
154 HG2 GLN 18 HG2 GLN 18 2.000 -15.644 -0.818
155 HG3 GLN 18 HG1 GLN 18 2.262 -14.034 -0.240
156 HE21 GLN 18 1HE2 GLN 18 3.584 -12.672 -1.228
157 HE22 GLN 18 2HE2 GLN 18 4.343 -12.975 -2.765
158 H SER 19 H SER 19 3.760 -14.790 3.913
159 HA SER 19 HA SER 19 5.355 -17.188 4.493
160 HB2 SER 19 HB2 SER 19 6.608 -15.055 4.127
161 HB3 SER 19 HB1 SER 19 5.752 -14.359 5.498
162 HG SER 19 HG SER 19 7.619 -16.444 5.421
163 H GLU 20 H GLU 20 3.073 -14.855 5.855
164 HA GLU 20 HA GLU 20 3.105 -16.128 8.442
165 HB2 GLU 20 HB2 GLU 20 1.523 -13.782 7.418
166 HB3 GLU 20 HB1 GLU 20 1.698 -14.294 9.097
167 HG2 GLU 20 HG2 GLU 20 4.113 -13.905 8.939
168 HG3 GLU 20 HG1 GLU 20 3.896 -13.375 7.297
169 H GLN 21 H GLN 21 1.175 -16.231 5.550
170 HA GLN 21 HA GLN 21 -0.852 -17.713 7.041
171 HB2 GLN 21 HB2 GLN 21 -1.337 -15.878 4.682
172 HB3 GLN 21 HB1 GLN 21 -2.561 -16.817 5.523
173 HG2 GLN 21 HG2 GLN 21 -0.936 -14.566 6.687
174 HG3 GLN 21 HG1 GLN 21 -2.622 -14.476 6.187
175 HE21 GLN 21 1HE2 GLN 21 -1.357 -14.033 8.800
176 HE22 GLN 21 2HE2 GLN 21 -2.105 -15.123 9.895
177 H GLN 22 H GLN 22 -2.027 -19.257 5.628
178 HA GLN 22 HA GLN 22 -0.889 -19.936 3.095
179 HB2 GLN 22 HB2 GLN 22 -0.442 -22.296 3.776
180 HB3 GLN 22 HB1 GLN 22 0.701 -21.126 4.406
181 HG2 GLN 22 HG2 GLN 22 -0.504 -21.199 6.563
182 HG3 GLN 22 HG1 GLN 22 -1.560 -22.446 5.894
183 HE21 GLN 22 1HE2 GLN 22 1.638 -21.673 6.922
184 HE22 GLN 22 2HE2 GLN 22 2.224 -23.287 7.056
185 H GLY 23 H GLY 23 -2.064 -21.789 2.144
186 HA2 GLY 23 HA2 GLY 23 -4.030 -22.813 1.527
187 HA3 GLY 23 HA1 GLY 23 -4.432 -22.832 3.235
188 H GLN 24 H GLN 24 -6.414 -22.136 3.415
189 HA GLN 24 HA GLN 24 -7.798 -20.346 1.758
190 HB2 GLN 24 HB2 GLN 24 -8.905 -21.950 3.262
191 HB3 GLN 24 HB1 GLN 24 -8.249 -21.112 4.657
192 HG2 GLN 24 HG2 GLN 24 -10.557 -20.537 4.411
193 HG3 GLN 24 HG1 GLN 24 -9.577 -19.123 4.040
194 HE21 GLN 24 1HE2 GLN 24 -11.705 -21.529 2.797
195 HE22 GLN 24 2HE2 GLN 24 -11.998 -20.793 1.275
196 H ARG 25 H ARG 25 -6.104 -19.972 4.808
197 HA ARG 25 HA ARG 25 -6.638 -17.308 5.326
198 HB2 ARG 25 HB2 ARG 25 -4.325 -19.073 6.032
199 HB3 ARG 25 HB1 ARG 25 -4.486 -17.427 6.633
200 HG2 ARG 25 HG2 ARG 25 -6.644 -19.460 6.977
201 HG3 ARG 25 HG1 ARG 25 -5.319 -19.303 8.129
202 HD2 ARG 25 HD2 ARG 25 -7.245 -17.114 7.308
203 HD3 ARG 25 HD1 ARG 25 -7.297 -18.017 8.819
204 HE ARG 25 HE ARG 25 -4.755 -16.916 8.549
205 HH11 ARG 25 HH11 ARG 25 -8.065 -15.769 9.077
206 HH12 ARG 25 HH12 ARG 25 -7.598 -14.422 10.005
207 HH21 ARG 25 HH21 ARG 25 -4.123 -15.064 9.792
208 HH22 ARG 25 HH22 ARG 25 -5.301 -13.980 10.379
209 H LEU 26 H LEU 26 -4.208 -18.745 3.260
210 HA LEU 26 HA LEU 26 -2.788 -16.310 2.830
211 HB2 LEU 26 HB2 LEU 26 -1.606 -18.166 2.362
212 HB3 LEU 26 HB1 LEU 26 -2.823 -18.899 1.302
213 HG LEU 26 HG LEU 26 -2.303 -16.992 -0.291
214 HD11 LEU 26 HD11 LEU 26 -0.016 -16.570 1.601
215 HD12 LEU 26 HD12 LEU 26 -1.341 -15.462 1.267
216 HD13 LEU 26 HD13 LEU 26 -0.170 -15.838 0.000
217 HD21 LEU 26 HD21 LEU 26 -0.257 -17.978 -1.131
218 HD22 LEU 26 HD22 LEU 26 -1.420 -19.221 -0.656
219 HD23 LEU 26 HD23 LEU 26 -0.040 -18.858 0.386
220 H GLN 27 H GLN 27 -5.229 -17.998 0.899
221 HA GLN 27 HA GLN 27 -5.161 -16.042 -1.099
222 HB2 GLN 27 HB2 GLN 27 -7.250 -17.084 -1.981
223 HB3 GLN 27 HB1 GLN 27 -5.926 -18.202 -1.732
224 HG2 GLN 27 HG2 GLN 27 -6.987 -18.891 0.398
225 HG3 GLN 27 HG1 GLN 27 -8.357 -17.860 0.006
226 HE21 GLN 27 1HE2 GLN 27 -6.551 -19.774 -2.335
227 HE22 GLN 27 2HE2 GLN 27 -7.839 -20.847 -2.695
228 H GLU 28 H GLU 28 -7.107 -16.349 1.778
229 HA GLU 28 HA GLU 28 -8.712 -14.099 1.138
230 HB2 GLU 28 HB2 GLU 28 -8.096 -15.256 3.853
231 HB3 GLU 28 HB1 GLU 28 -9.371 -14.106 3.480
232 HG2 GLU 28 HG2 GLU 28 -10.341 -15.810 1.952
233 HG3 GLU 28 HG1 GLU 28 -9.158 -16.956 2.581
234 H CYS 29 H CYS 29 -5.690 -14.546 2.947
235 HA CYS 29 HA CYS 29 -5.478 -11.971 4.021
236 HB2 CYS 29 HB2 CYS 29 -4.047 -13.957 4.614
237 HB3 CYS 29 HB1 CYS 29 -3.188 -13.723 3.102
238 H GLN 30 H GLN 30 -4.036 -13.297 1.030
239 HA GLN 30 HA GLN 30 -3.080 -10.798 0.153
240 HB2 GLN 30 HB2 GLN 30 -3.581 -13.371 -1.294
241 HB3 GLN 30 HB1 GLN 30 -3.037 -11.935 -2.155
242 HG2 GLN 30 HG2 GLN 30 -1.094 -11.800 -0.688
243 HG3 GLN 30 HG1 GLN 30 -1.642 -13.250 0.149
244 HE21 GLN 30 1HE2 GLN 30 -2.483 -14.653 -2.195
245 HE22 GLN 30 2HE2 GLN 30 -1.069 -15.087 -3.058
246 H GLN 31 H GLN 31 -6.183 -12.244 -0.150
247 HA GLN 31 HA GLN 31 -7.159 -10.495 -2.165
248 HB2 GLN 31 HB2 GLN 31 -8.215 -12.664 -1.529
249 HB3 GLN 31 HB1 GLN 31 -8.715 -11.929 -0.018
250 HG2 GLN 31 HG2 GLN 31 -10.135 -10.388 -1.177
251 HG3 GLN 31 HG1 GLN 31 -9.562 -10.969 -2.741
252 HE21 GLN 31 1HE2 GLN 31 -11.502 -11.686 -3.450
253 HE22 GLN 31 2HE2 GLN 31 -12.331 -13.031 -2.772
254 H ARG 32 H ARG 32 -7.128 -10.437 1.360
255 HA ARG 32 HA ARG 32 -8.550 -8.033 1.697
256 HB2 ARG 32 HB2 ARG 32 -6.389 -9.186 3.477
257 HB3 ARG 32 HB1 ARG 32 -7.471 -7.879 3.930
258 HG2 ARG 32 HG2 ARG 32 -9.375 -9.447 3.667
259 HG3 ARG 32 HG1 ARG 32 -8.215 -10.737 3.355
260 HD2 ARG 32 HD2 ARG 32 -8.466 -9.103 5.883
261 HD3 ARG 32 HD1 ARG 32 -8.917 -10.790 5.677
262 HE ARG 32 HE ARG 32 -6.152 -10.125 5.153
263 HH11 ARG 32 HH11 ARG 32 -8.487 -11.364 7.541
264 HH12 ARG 32 HH12 ARG 32 -7.309 -12.015 8.565
265 HH21 ARG 32 HH21 ARG 32 -4.540 -11.047 6.576
266 HH22 ARG 32 HH22 ARG 32 -4.985 -11.866 7.993
267 H CYS 33 H CYS 33 -5.129 -8.697 1.161
268 HA CYS 33 HA CYS 33 -4.120 -6.094 1.366
269 HB2 CYS 33 HB2 CYS 33 -3.268 -8.199 -0.635
270 HB3 CYS 33 HB1 CYS 33 -2.309 -6.827 -0.096
271 H GLN 34 H GLN 34 -5.572 -7.795 -1.353
272 HA GLN 34 HA GLN 34 -5.350 -5.742 -3.276
273 HB2 GLN 34 HB2 GLN 34 -7.307 -8.027 -3.036
274 HB3 GLN 34 HB1 GLN 34 -7.164 -6.981 -4.444
275 HG2 GLN 34 HG2 GLN 34 -4.959 -7.762 -4.892
276 HG3 GLN 34 HG1 GLN 34 -4.899 -8.618 -3.357
277 HE21 GLN 34 1HE2 GLN 34 -4.425 -10.489 -4.400
278 HE22 GLN 34 2HE2 GLN 34 -5.560 -11.447 -5.258
279 H GLN 35 H GLN 35 -7.770 -6.510 -0.860
280 HA GLN 35 HA GLN 35 -9.651 -4.565 -1.728
281 HB2 GLN 35 HB2 GLN 35 -9.368 -5.841 0.999
282 HB3 GLN 35 HB1 GLN 35 -10.719 -4.843 0.493
283 HG2 GLN 35 HG2 GLN 35 -9.951 -7.569 -0.514
284 HG3 GLN 35 HG1 GLN 35 -11.420 -7.099 0.340
285 HE21 GLN 35 1HE2 GLN 35 -9.790 -7.219 -2.661
286 HE22 GLN 35 2HE2 GLN 35 -11.094 -6.709 -3.660
287 H GLU 36 H GLU 36 -7.154 -4.581 0.773
288 HA GLU 36 HA GLU 36 -7.588 -1.989 1.679
289 HB2 GLU 36 HB2 GLU 36 -5.165 -3.726 1.679
290 HB3 GLU 36 HB1 GLU 36 -5.102 -2.089 2.305
291 HG2 GLU 36 HG2 GLU 36 -6.976 -2.710 3.853
292 HG3 GLU 36 HG1 GLU 36 -6.823 -4.368 3.275
293 H TYR 37 H TYR 37 -5.480 -3.152 -0.844
294 HA TYR 37 HA TYR 37 -4.345 -0.789 -1.715
295 HB2 TYR 37 HB2 TYR 37 -3.697 -2.956 -2.638
296 HB3 TYR 37 HB1 TYR 37 -5.287 -3.168 -3.346
297 HD1 TYR 37 HD1 TYR 37 -5.679 -2.505 -5.525
298 HD2 TYR 37 HD2 TYR 37 -2.266 -0.988 -3.511
299 HE1 TYR 37 HE1 TYR 37 -4.919 -1.468 -7.613
300 HE2 TYR 37 HE2 TYR 37 -1.493 0.062 -5.601
301 HH TYR 37 HH TYR 37 -1.857 -0.249 -8.129
302 H GLN 38 H GLN 38 -7.540 -2.058 -2.503
303 HA GLN 38 HA GLN 38 -8.295 0.097 -4.232
304 HB2 GLN 38 HB2 GLN 38 -9.997 -1.895 -2.723
305 HB3 GLN 38 HB1 GLN 38 -10.599 -0.793 -3.946
306 HG2 GLN 38 HG2 GLN 38 -9.183 -1.890 -5.620
307 HG3 GLN 38 HG1 GLN 38 -8.588 -2.986 -4.378
308 HE21 GLN 38 1HE2 GLN 38 -9.353 -4.763 -5.453
309 HE22 GLN 38 2HE2 GLN 38 -11.026 -5.156 -5.584
310 H ARG 39 H ARG 39 -8.551 -0.579 -0.849
311 HA ARG 39 HA ARG 39 -10.316 1.567 -0.215
312 HB2 ARG 39 HB2 ARG 39 -8.629 -0.250 1.464
313 HB3 ARG 39 HB1 ARG 39 -9.599 1.044 2.141
314 HG2 ARG 39 HG2 ARG 39 -11.620 0.045 1.358
315 HG3 ARG 39 HG1 ARG 39 -10.718 -1.170 0.447
316 HD2 ARG 39 HD2 ARG 39 -11.642 -2.007 2.592
317 HD3 ARG 39 HD1 ARG 39 -9.890 -2.157 2.468
318 HE ARG 39 HE ARG 39 -10.610 0.273 3.731
319 HH11 ARG 39 HH11 ARG 39 -10.521 -3.192 4.387
320 HH12 ARG 39 HH12 ARG 39 -10.184 -3.017 6.045
321 HH21 ARG 39 HH21 ARG 39 -10.157 0.543 5.964
322 HH22 ARG 39 HH22 ARG 39 -9.967 -0.819 6.979
323 H GLU 40 H GLU 40 -6.868 1.287 -0.487
324 HA GLU 40 HA GLU 40 -6.393 3.717 0.916
325 HB2 GLU 40 HB2 GLU 40 -4.609 2.220 -1.007
326 HB3 GLU 40 HB1 GLU 40 -4.105 3.620 -0.069
327 HG2 GLU 40 HG2 GLU 40 -4.690 2.353 1.995
328 HG3 GLU 40 HG1 GLU 40 -4.971 0.944 0.979
329 H LYS 41 H LYS 41 -7.288 2.916 -2.276
330 HA LYS 41 HA LYS 41 -6.791 5.571 -3.270
331 HB2 LYS 41 HB2 LYS 41 -8.383 3.294 -4.470
332 HB3 LYS 41 HB1 LYS 41 -8.010 4.804 -5.297
333 HG2 LYS 41 HG2 LYS 41 -5.620 4.308 -5.112
334 HG3 LYS 41 HG1 LYS 41 -6.006 2.787 -4.310
335 HD2 LYS 41 HD2 LYS 41 -7.219 2.062 -6.320
336 HD3 LYS 41 HD1 LYS 41 -6.775 3.573 -7.118
337 HE2 LYS 41 HE2 LYS 41 -4.400 3.015 -6.856
338 HE3 LYS 41 HE1 LYS 41 -4.845 1.517 -6.052
339 HZ1 LYS 41 HZ1 LYS 41 -5.972 0.844 -8.129
340 HZ2 LYS 41 HZ2 LYS 41 -4.309 1.068 -8.315
341 HZ3 LYS 41 HZ3 LYS 41 -5.362 2.223 -8.896
342 H GLY 42 H GLY 42 -9.412 3.765 -1.894
343 HA2 GLY 42 HA2 GLY 42 -11.258 6.006 -2.104
344 HA3 GLY 42 HA1 GLY 42 -11.568 4.446 -1.323
345 H GLN 43 H GLN 43 -9.744 7.380 -1.028
346 HA GLN 43 HA GLN 43 -8.479 6.961 1.428
347 HB2 GLN 43 HB2 GLN 43 -9.326 9.682 0.501
348 HB3 GLN 43 HB1 GLN 43 -7.868 9.229 1.362
349 HG2 GLN 43 HG2 GLN 43 -7.121 8.014 -0.677
350 HG3 GLN 43 HG1 GLN 43 -8.526 8.644 -1.518
351 HE21 GLN 43 1HE2 GLN 43 -5.885 9.055 -2.246
352 HE22 GLN 43 2HE2 GLN 43 -5.551 10.740 -2.183
353 H HIS 44 H HIS 44 -9.522 6.495 3.298
354 HA HIS 44 HA HIS 44 -12.073 7.703 3.891
355 HB2 HIS 44 HB2 HIS 44 -12.095 6.385 5.956
356 HB3 HIS 44 HB1 HIS 44 -11.598 5.354 4.632
357 HD1 HIS 44 HD1 HIS 44 -9.401 4.052 5.014
358 HD2 HIS 44 HD2 HIS 44 -9.934 7.160 7.717
359 HE1 HIS 44 HE1 HIS 44 -7.588 3.816 6.720
360 H GLN 45 H GLN 45 -8.780 8.188 4.680
361 HA GLN 45 HA GLN 45 -9.288 10.169 6.729
362 HB2 GLN 45 HB2 GLN 45 -7.389 8.610 6.912
363 HB3 GLN 45 HB1 GLN 45 -6.746 9.206 5.399
364 HG2 GLN 45 HG2 GLN 45 -6.365 11.388 6.428
365 HG3 GLN 45 HG1 GLN 45 -6.990 10.768 7.958
366 HE21 GLN 45 1HE2 GLN 45 -4.340 11.791 7.304
367 HE22 GLN 45 2HE2 GLN 45 -3.226 10.529 7.673
368 H GLY 46 H GLY 46 -7.505 10.107 3.633
369 HA2 GLY 46 HA2 GLY 46 -8.213 11.619 1.866
370 HA3 GLY 46 HA1 GLY 46 -8.525 12.813 3.121
371 H GLU 47 H GLU 47 -6.180 11.404 1.063
372 HA GLU 47 HA GLU 47 -4.172 13.152 2.275
373 HB2 GLU 47 HB2 GLU 47 -2.435 11.777 1.226
374 HB3 GLU 47 HB1 GLU 47 -3.492 10.797 2.227
375 HG2 GLU 47 HG2 GLU 47 -4.625 9.934 0.331
376 HG3 GLU 47 HG1 GLU 47 -3.801 11.065 -0.736
377 H THR 48 H THR 48 -6.108 12.713 -0.262
378 HA THR 48 HA THR 48 -4.753 14.806 -1.864
379 HB THR 48 HB THR 48 -6.647 12.717 -2.968
380 HG1 THR 48 HG1 THR 48 -3.801 12.571 -2.690
381 HG21 THR 48 HG21 THR 48 -6.210 14.682 -4.377
382 HG22 THR 48 HG22 THR 48 -5.496 13.243 -5.101
383 HG23 THR 48 HG23 THR 48 -4.477 14.400 -4.248
384 H ASN 49 H ASN 49 -6.979 14.328 0.295
385 HA ASN 49 HA ASN 49 -9.013 16.027 -0.845
386 HB2 ASN 49 HB2 ASN 49 -9.482 13.382 0.582
387 HB3 ASN 49 HB1 ASN 49 -10.734 14.594 0.356
388 HD21 ASN 49 HD21 ASN 49 -8.762 12.165 -1.212
389 HD22 ASN 49 HD22 ASN 49 -9.653 12.133 -2.679
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 8.265 -1.909 -14.216
2 H2 ARG 1 HT2 ARG 1 8.874 -1.368 -12.779
3 H3 ARG 1 HT3 ARG 1 9.920 -2.086 -13.870
4 HA ARG 1 HA ARG 1 10.208 0.288 -13.902
5 HB2 ARG 1 HB2 ARG 1 8.603 -0.609 -16.309
6 HB3 ARG 1 HB1 ARG 1 9.436 0.918 -16.221
7 HG2 ARG 1 HG2 ARG 1 10.746 -0.543 -17.559
8 HG3 ARG 1 HG1 ARG 1 11.587 -0.369 -16.024
9 HD2 ARG 1 HD2 ARG 1 11.569 -2.675 -16.901
10 HD3 ARG 1 HD1 ARG 1 10.818 -2.544 -15.314
11 HE ARG 1 HE ARG 1 8.778 -2.289 -17.156
12 HH11 ARG 1 HH11 ARG 1 11.169 -4.792 -16.382
13 HH12 ARG 1 HH12 ARG 1 10.120 -6.079 -16.778
14 HH21 ARG 1 HH21 ARG 1 7.355 -4.076 -17.676
15 HH22 ARG 1 HH22 ARG 1 7.947 -5.676 -17.521
16 H GLY 2 H GLY 2 9.339 1.785 -12.767
17 HA2 GLY 2 HA2 GLY 2 7.882 3.351 -11.998
18 HA3 GLY 2 HA1 GLY 2 7.101 3.233 -13.565
19 HA PRO 3 HA PRO 3 4.560 0.273 -10.818
20 HB2 PRO 3 HB2 PRO 3 5.340 -0.351 -8.337
21 HB3 PRO 3 HB1 PRO 3 6.052 -1.181 -9.727
22 HG2 PRO 3 HG2 PRO 3 7.151 1.088 -8.113
23 HG3 PRO 3 HG1 PRO 3 7.979 -0.370 -8.693
24 HD2 PRO 3 HD2 PRO 3 8.135 2.060 -9.937
25 HD3 PRO 3 HD1 PRO 3 8.312 0.508 -10.780
26 H ASP 4 H ASP 4 3.013 0.672 -8.976
27 HA ASP 4 HA ASP 4 3.036 3.520 -8.333
28 HB2 ASP 4 HB2 ASP 4 0.935 2.285 -9.212
29 HB3 ASP 4 HB1 ASP 4 0.900 1.558 -7.596
30 H LYS 5 H LYS 5 2.368 4.088 -6.136
31 HA LYS 5 HA LYS 5 4.218 2.976 -4.258
32 HB2 LYS 5 HB2 LYS 5 2.000 4.976 -3.889
33 HB3 LYS 5 HB1 LYS 5 3.265 4.644 -2.725
34 HG2 LYS 5 HG2 LYS 5 3.740 5.707 -5.496
35 HG3 LYS 5 HG1 LYS 5 3.606 6.720 -4.067
36 HD2 LYS 5 HD2 LYS 5 5.698 4.601 -4.603
37 HD3 LYS 5 HD1 LYS 5 5.945 6.344 -4.647
38 HE2 LYS 5 HE2 LYS 5 5.289 4.651 -2.234
39 HE3 LYS 5 HE1 LYS 5 6.805 5.465 -2.581
40 HZ1 LYS 5 HZ1 LYS 5 4.213 6.821 -2.024
41 HZ2 LYS 5 HZ2 LYS 5 5.669 7.598 -2.366
42 HZ3 LYS 5 HZ3 LYS 5 5.512 6.681 -0.973
43 H SER 6 H SER 6 0.723 2.932 -4.751
44 HA SER 6 HA SER 6 0.080 1.495 -2.420
45 HB2 SER 6 HB2 SER 6 -1.355 1.726 -5.069
46 HB3 SER 6 HB1 SER 6 -2.068 1.160 -3.556
47 HG SER 6 HG SER 6 -1.738 3.135 -2.658
48 H TYR 7 H TYR 7 1.259 0.658 -5.551
49 HA TYR 7 HA TYR 7 0.575 -2.135 -5.445
50 HB2 TYR 7 HB2 TYR 7 1.023 -0.761 -7.570
51 HB3 TYR 7 HB1 TYR 7 2.731 -0.914 -7.170
52 HD1 TYR 7 HD1 TYR 7 3.879 -2.987 -7.507
53 HD2 TYR 7 HD2 TYR 7 -0.304 -2.739 -8.144
54 HE1 TYR 7 HE1 TYR 7 3.917 -5.206 -8.621
55 HE2 TYR 7 HE2 TYR 7 -0.293 -4.928 -9.246
56 HH TYR 7 HH TYR 7 1.343 -6.336 -10.465
57 H LYS 8 H LYS 8 3.317 -0.174 -4.540
58 HA LYS 8 HA LYS 8 5.045 -2.280 -3.907
59 HB2 LYS 8 HB2 LYS 8 4.798 0.505 -2.787
60 HB3 LYS 8 HB1 LYS 8 6.034 -0.608 -2.236
61 HG2 LYS 8 HG2 LYS 8 5.686 0.331 -5.069
62 HG3 LYS 8 HG1 LYS 8 6.842 0.987 -3.908
63 HD2 LYS 8 HD2 LYS 8 7.773 -1.344 -3.683
64 HD3 LYS 8 HD1 LYS 8 6.754 -1.803 -5.047
65 HE2 LYS 8 HE2 LYS 8 8.995 -1.301 -5.791
66 HE3 LYS 8 HE1 LYS 8 7.857 -0.112 -6.428
67 HZ1 LYS 8 HZ1 LYS 8 8.564 1.433 -4.721
68 HZ2 LYS 8 HZ2 LYS 8 9.909 0.906 -5.583
69 HZ3 LYS 8 HZ3 LYS 8 9.598 0.284 -4.057
70 H ARG 9 H ARG 9 2.689 -0.489 -1.985
71 HA ARG 9 HA ARG 9 3.035 -1.853 0.450
72 HB2 ARG 9 HB2 ARG 9 0.550 -0.508 -0.629
73 HB3 ARG 9 HB1 ARG 9 0.763 -1.012 1.036
74 HG2 ARG 9 HG2 ARG 9 2.323 1.099 -0.428
75 HG3 ARG 9 HG1 ARG 9 1.117 1.365 0.825
76 HD2 ARG 9 HD2 ARG 9 3.794 -0.004 1.159
77 HD3 ARG 9 HD1 ARG 9 3.357 1.595 1.742
78 HE ARG 9 HE ARG 9 1.542 -0.193 2.835
79 HH11 ARG 9 HH11 ARG 9 4.994 0.511 3.065
80 HH12 ARG 9 HH12 ARG 9 5.146 -0.117 4.647
81 HH21 ARG 9 HH21 ARG 9 1.788 -1.085 5.001
82 HH22 ARG 9 HH22 ARG 9 3.331 -1.066 5.731
83 H LEU 10 H LEU 10 1.046 -2.502 -2.334
84 HA LEU 10 HA LEU 10 -0.398 -4.666 -1.323
85 HB2 LEU 10 HB2 LEU 10 -1.034 -3.606 -3.387
86 HB3 LEU 10 HB1 LEU 10 0.486 -4.050 -4.132
87 HG LEU 10 HG LEU 10 -0.141 -6.414 -3.986
88 HD11 LEU 10 HD11 LEU 10 -2.764 -5.379 -2.932
89 HD12 LEU 10 HD12 LEU 10 -1.568 -6.336 -2.057
90 HD13 LEU 10 HD13 LEU 10 -2.431 -7.044 -3.419
91 HD21 LEU 10 HD21 LEU 10 -1.864 -6.365 -5.725
92 HD22 LEU 10 HD22 LEU 10 -0.598 -5.171 -6.018
93 HD23 LEU 10 HD23 LEU 10 -2.161 -4.661 -5.375
94 H GLN 11 H GLN 11 2.669 -4.575 -3.117
95 HA GLN 11 HA GLN 11 3.233 -7.297 -3.255
96 HB2 GLN 11 HB2 GLN 11 5.208 -5.058 -2.792
97 HB3 GLN 11 HB1 GLN 11 5.605 -6.667 -3.365
98 HG2 GLN 11 HG2 GLN 11 4.333 -6.248 -5.398
99 HG3 GLN 11 HG1 GLN 11 3.925 -4.642 -4.801
100 HE21 GLN 11 1HE2 GLN 11 4.910 -3.587 -6.387
101 HE22 GLN 11 2HE2 GLN 11 6.623 -3.515 -6.641
102 H GLU 12 H GLU 12 4.206 -4.948 -0.816
103 HA GLU 12 HA GLU 12 5.496 -6.624 0.957
104 HB2 GLU 12 HB2 GLU 12 3.883 -4.136 1.461
105 HB3 GLU 12 HB1 GLU 12 4.883 -4.917 2.678
106 HG2 GLU 12 HG2 GLU 12 5.878 -3.831 0.059
107 HG3 GLU 12 HG1 GLU 12 5.984 -3.008 1.616
108 H CYS 13 H CYS 13 2.083 -5.668 0.918
109 HA CYS 13 HA CYS 13 1.372 -7.102 3.204
110 HB2 CYS 13 HB2 CYS 13 -0.009 -5.292 2.209
111 HB3 CYS 13 HB1 CYS 13 -0.443 -6.392 0.905
112 H GLN 14 H GLN 14 1.183 -8.038 -0.231
113 HA GLN 14 HA GLN 14 -0.009 -10.529 0.291
114 HB2 GLN 14 HB2 GLN 14 1.693 -9.734 -2.079
115 HB3 GLN 14 HB1 GLN 14 0.726 -11.198 -1.975
116 HG2 GLN 14 HG2 GLN 14 -1.293 -9.751 -1.717
117 HG3 GLN 14 HG1 GLN 14 -0.262 -8.359 -2.035
118 HE21 GLN 14 1HE2 GLN 14 0.662 -8.141 -4.119
119 HE22 GLN 14 2HE2 GLN 14 -0.018 -8.923 -5.489
120 H ARG 15 H ARG 15 3.383 -9.588 -0.065
121 HA ARG 15 HA ARG 15 4.417 -12.180 0.177
122 HB2 ARG 15 HB2 ARG 15 5.667 -9.511 0.656
123 HB3 ARG 15 HB1 ARG 15 6.554 -11.028 0.814
124 HG2 ARG 15 HG2 ARG 15 5.869 -11.600 -1.494
125 HG3 ARG 15 HG1 ARG 15 5.168 -9.989 -1.633
126 HD2 ARG 15 HD2 ARG 15 7.978 -10.567 -0.911
127 HD3 ARG 15 HD1 ARG 15 7.467 -10.257 -2.571
128 HE ARG 15 HE ARG 15 7.314 -8.331 -0.340
129 HH11 ARG 15 HH11 ARG 15 7.587 -8.964 -3.815
130 HH12 ARG 15 HH12 ARG 15 7.947 -7.358 -4.232
131 HH21 ARG 15 HH21 ARG 15 7.779 -6.084 -0.926
132 HH22 ARG 15 HH22 ARG 15 8.050 -5.700 -2.569
133 H ARG 16 H ARG 16 3.629 -9.792 2.634
134 HA ARG 16 HA ARG 16 4.716 -11.244 4.807
135 HB2 ARG 16 HB2 ARG 16 2.377 -9.317 4.790
136 HB3 ARG 16 HB1 ARG 16 3.152 -9.912 6.248
137 HG2 ARG 16 HG2 ARG 16 5.242 -8.846 5.556
138 HG3 ARG 16 HG1 ARG 16 4.449 -8.233 4.108
139 HD2 ARG 16 HD2 ARG 16 4.487 -6.461 5.728
140 HD3 ARG 16 HD1 ARG 16 2.828 -7.037 5.588
141 HE ARG 16 HE ARG 16 4.386 -8.255 7.675
142 HH11 ARG 16 HH11 ARG 16 2.091 -5.641 6.900
143 HH12 ARG 16 HH12 ARG 16 1.658 -5.391 8.528
144 HH21 ARG 16 HH21 ARG 16 3.761 -7.851 9.901
145 HH22 ARG 16 HH22 ARG 16 2.607 -6.648 10.249
146 H CYS 17 H CYS 17 1.598 -11.248 3.289
147 HA CYS 17 HA CYS 17 0.368 -13.182 4.916
148 HB2 CYS 17 HB2 CYS 17 -0.072 -12.506 2.019
149 HB3 CYS 17 HB1 CYS 17 -1.091 -13.605 2.933
150 H GLN 18 H GLN 18 2.449 -13.475 2.093
151 HA GLN 18 HA GLN 18 2.105 -16.267 1.735
152 HB2 GLN 18 HB2 GLN 18 4.473 -14.567 0.940
153 HB3 GLN 18 HB1 GLN 18 4.128 -16.186 0.349
154 HG2 GLN 18 HG2 GLN 18 2.024 -15.328 -0.613
155 HG3 GLN 18 HG1 GLN 18 2.466 -13.729 -0.066
156 HE21 GLN 18 1HE2 GLN 18 4.807 -16.017 -1.418
157 HE22 GLN 18 2HE2 GLN 18 5.089 -15.087 -2.840
158 H SER 19 H SER 19 3.992 -14.433 3.927
159 HA SER 19 HA SER 19 5.695 -16.650 4.608
160 HB2 SER 19 HB2 SER 19 5.349 -13.972 5.982
161 HB3 SER 19 HB1 SER 19 6.668 -15.117 6.238
162 HG SER 19 HG SER 19 6.292 -14.468 3.614
163 H GLU 20 H GLU 20 3.138 -14.749 6.274
164 HA GLU 20 HA GLU 20 3.132 -16.515 8.532
165 HB2 GLU 20 HB2 GLU 20 1.290 -14.246 7.854
166 HB3 GLU 20 HB1 GLU 20 1.425 -15.044 9.412
167 HG2 GLU 20 HG2 GLU 20 3.765 -14.300 9.543
168 HG3 GLU 20 HG1 GLU 20 3.545 -13.438 8.028
169 H GLN 21 H GLN 21 1.302 -16.390 5.577
170 HA GLN 21 HA GLN 21 -0.631 -18.227 6.792
171 HB2 GLN 21 HB2 GLN 21 -1.190 -16.077 4.757
172 HB3 GLN 21 HB1 GLN 21 -2.339 -17.306 5.253
173 HG2 GLN 21 HG2 GLN 21 -1.127 -15.190 7.014
174 HG3 GLN 21 HG1 GLN 21 -2.778 -15.219 6.394
175 HE21 GLN 21 1HE2 GLN 21 -1.801 -15.207 9.122
176 HE22 GLN 21 2HE2 GLN 21 -2.460 -16.622 9.871
177 H GLN 22 H GLN 22 -1.679 -19.638 5.366
178 HA GLN 22 HA GLN 22 -0.696 -20.065 2.707
179 HB2 GLN 22 HB2 GLN 22 -0.214 -22.479 3.138
180 HB3 GLN 22 HB1 GLN 22 0.940 -21.400 3.898
181 HG2 GLN 22 HG2 GLN 22 -0.201 -21.701 6.045
182 HG3 GLN 22 HG1 GLN 22 -1.366 -22.770 5.269
183 HE21 GLN 22 1HE2 GLN 22 0.676 -24.089 3.595
184 HE22 GLN 22 2HE2 GLN 22 1.537 -25.099 4.691
185 H GLY 23 H GLY 23 -1.973 -21.988 1.807
186 HA2 GLY 23 HA2 GLY 23 -4.008 -22.937 1.320
187 HA3 GLY 23 HA1 GLY 23 -4.333 -22.887 3.044
188 H GLN 24 H GLN 24 -6.395 -22.291 2.945
189 HA GLN 24 HA GLN 24 -7.531 -20.357 1.248
190 HB2 GLN 24 HB2 GLN 24 -8.775 -22.191 2.371
191 HB3 GLN 24 HB1 GLN 24 -8.551 -21.371 3.906
192 HG2 GLN 24 HG2 GLN 24 -10.785 -21.003 3.043
193 HG3 GLN 24 HG1 GLN 24 -9.883 -19.490 3.080
194 HE21 GLN 24 1HE2 GLN 24 -9.393 -18.472 1.180
195 HE22 GLN 24 2HE2 GLN 24 -10.040 -18.957 -0.346
196 H ARG 25 H ARG 25 -6.146 -20.203 4.464
197 HA ARG 25 HA ARG 25 -7.061 -17.611 5.094
198 HB2 ARG 25 HB2 ARG 25 -4.672 -19.089 6.149
199 HB3 ARG 25 HB1 ARG 25 -5.229 -17.542 6.769
200 HG2 ARG 25 HG2 ARG 25 -7.459 -18.673 7.179
201 HG3 ARG 25 HG1 ARG 25 -6.623 -20.196 6.878
202 HD2 ARG 25 HD2 ARG 25 -5.927 -18.138 8.918
203 HD3 ARG 25 HD1 ARG 25 -6.714 -19.686 9.260
204 HE ARG 25 HE ARG 25 -4.236 -20.028 7.914
205 HH11 ARG 25 HH11 ARG 25 -5.524 -19.387 11.124
206 HH12 ARG 25 HH12 ARG 25 -4.143 -19.961 11.943
207 HH21 ARG 25 HH21 ARG 25 -2.377 -20.815 9.006
208 HH22 ARG 25 HH22 ARG 25 -2.302 -20.790 10.716
209 H LEU 26 H LEU 26 -4.226 -18.742 3.358
210 HA LEU 26 HA LEU 26 -3.020 -16.186 3.139
211 HB2 LEU 26 HB2 LEU 26 -1.636 -17.978 2.679
212 HB3 LEU 26 HB1 LEU 26 -2.736 -18.703 1.515
213 HG LEU 26 HG LEU 26 -2.166 -16.906 -0.089
214 HD11 LEU 26 HD11 LEU 26 -0.311 -15.385 0.384
215 HD12 LEU 26 HD12 LEU 26 -0.285 -15.948 2.059
216 HD13 LEU 26 HD13 LEU 26 -1.703 -15.107 1.424
217 HD21 LEU 26 HD21 LEU 26 0.216 -18.296 1.102
218 HD22 LEU 26 HD22 LEU 26 0.161 -17.532 -0.483
219 HD23 LEU 26 HD23 LEU 26 -0.858 -18.931 -0.148
220 H GLN 27 H GLN 27 -5.316 -17.938 1.168
221 HA GLN 27 HA GLN 27 -5.494 -16.155 -0.975
222 HB2 GLN 27 HB2 GLN 27 -7.707 -17.848 0.214
223 HB3 GLN 27 HB1 GLN 27 -7.725 -17.116 -1.382
224 HG2 GLN 27 HG2 GLN 27 -5.801 -19.228 -0.445
225 HG3 GLN 27 HG1 GLN 27 -7.211 -19.500 -1.465
226 HE21 GLN 27 1HE2 GLN 27 -7.148 -18.855 -3.602
227 HE22 GLN 27 2HE2 GLN 27 -5.671 -18.431 -4.388
228 H GLU 28 H GLU 28 -7.350 -16.297 2.050
229 HA GLU 28 HA GLU 28 -8.905 -14.006 1.659
230 HB2 GLU 28 HB2 GLU 28 -7.884 -15.198 4.231
231 HB3 GLU 28 HB1 GLU 28 -9.185 -14.025 4.097
232 HG2 GLU 28 HG2 GLU 28 -9.173 -16.811 2.988
233 HG3 GLU 28 HG1 GLU 28 -10.053 -16.261 4.409
234 H CYS 29 H CYS 29 -5.809 -14.453 3.316
235 HA CYS 29 HA CYS 29 -5.496 -11.878 4.312
236 HB2 CYS 29 HB2 CYS 29 -4.136 -13.901 4.933
237 HB3 CYS 29 HB1 CYS 29 -3.261 -13.710 3.423
238 H GLN 30 H GLN 30 -4.176 -13.240 1.273
239 HA GLN 30 HA GLN 30 -3.094 -10.730 0.494
240 HB2 GLN 30 HB2 GLN 30 -2.677 -11.758 -1.709
241 HB3 GLN 30 HB1 GLN 30 -2.105 -12.746 -0.375
242 HG2 GLN 30 HG2 GLN 30 -4.055 -14.172 -0.582
243 HG3 GLN 30 HG1 GLN 30 -4.657 -13.181 -1.912
244 HE21 GLN 30 1HE2 GLN 30 -1.284 -13.963 -1.467
245 HE22 GLN 30 2HE2 GLN 30 -1.154 -15.018 -2.811
246 H GLN 31 H GLN 31 -6.223 -12.198 0.021
247 HA GLN 31 HA GLN 31 -7.153 -10.527 -2.049
248 HB2 GLN 31 HB2 GLN 31 -8.284 -12.613 -1.280
249 HB3 GLN 31 HB1 GLN 31 -8.719 -11.793 0.210
250 HG2 GLN 31 HG2 GLN 31 -10.045 -10.185 -1.083
251 HG3 GLN 31 HG1 GLN 31 -9.633 -11.059 -2.557
252 HE21 GLN 31 1HE2 GLN 31 -12.223 -10.569 -1.375
253 HE22 GLN 31 2HE2 GLN 31 -12.938 -12.105 -1.097
254 H ARG 32 H ARG 32 -7.140 -10.278 1.442
255 HA ARG 32 HA ARG 32 -8.526 -7.836 1.709
256 HB2 ARG 32 HB2 ARG 32 -6.383 -9.036 3.453
257 HB3 ARG 32 HB1 ARG 32 -7.385 -7.670 3.913
258 HG2 ARG 32 HG2 ARG 32 -9.363 -9.049 3.843
259 HG3 ARG 32 HG1 ARG 32 -8.421 -10.409 3.229
260 HD2 ARG 32 HD2 ARG 32 -7.079 -10.361 5.277
261 HD3 ARG 32 HD1 ARG 32 -8.115 -9.082 5.914
262 HE ARG 32 HE ARG 32 -9.924 -10.883 5.427
263 HH11 ARG 32 HH11 ARG 32 -6.741 -11.355 6.840
264 HH12 ARG 32 HH12 ARG 32 -7.161 -12.724 7.749
265 HH21 ARG 32 HH21 ARG 32 -10.537 -12.741 6.639
266 HH22 ARG 32 HH22 ARG 32 -9.408 -13.566 7.612
267 H CYS 33 H CYS 33 -5.151 -8.574 1.121
268 HA CYS 33 HA CYS 33 -4.120 -5.950 1.320
269 HB2 CYS 33 HB2 CYS 33 -3.162 -8.218 -0.432
270 HB3 CYS 33 HB1 CYS 33 -2.226 -6.808 0.043
271 H GLN 34 H GLN 34 -5.475 -7.846 -1.321
272 HA GLN 34 HA GLN 34 -5.083 -5.948 -3.346
273 HB2 GLN 34 HB2 GLN 34 -7.045 -8.222 -3.087
274 HB3 GLN 34 HB1 GLN 34 -6.885 -7.247 -4.544
275 HG2 GLN 34 HG2 GLN 34 -4.509 -8.598 -3.347
276 HG3 GLN 34 HG1 GLN 34 -5.622 -9.489 -4.371
277 HE21 GLN 34 1HE2 GLN 34 -5.049 -6.096 -5.054
278 HE22 GLN 34 2HE2 GLN 34 -4.083 -6.374 -6.443
279 H GLN 35 H GLN 35 -7.729 -6.561 -1.122
280 HA GLN 35 HA GLN 35 -9.530 -4.676 -2.112
281 HB2 GLN 35 HB2 GLN 35 -9.089 -5.480 0.771
282 HB3 GLN 35 HB1 GLN 35 -10.478 -4.583 0.184
283 HG2 GLN 35 HG2 GLN 35 -9.737 -7.436 -0.435
284 HG3 GLN 35 HG1 GLN 35 -11.111 -6.864 0.509
285 HE21 GLN 35 1HE2 GLN 35 -9.869 -7.485 -2.653
286 HE22 GLN 35 2HE2 GLN 35 -11.322 -7.102 -3.492
287 H GLU 36 H GLU 36 -6.998 -4.333 0.356
288 HA GLU 36 HA GLU 36 -7.283 -1.630 0.907
289 HB2 GLU 36 HB2 GLU 36 -4.799 -3.325 0.848
290 HB3 GLU 36 HB1 GLU 36 -4.822 -1.675 1.434
291 HG2 GLU 36 HG2 GLU 36 -6.537 -2.410 3.122
292 HG3 GLU 36 HG1 GLU 36 -6.241 -4.055 2.570
293 H TYR 37 H TYR 37 -5.209 -3.184 -1.463
294 HA TYR 37 HA TYR 37 -4.043 -0.972 -2.628
295 HB2 TYR 37 HB2 TYR 37 -3.259 -3.196 -3.129
296 HB3 TYR 37 HB1 TYR 37 -4.792 -3.616 -3.883
297 HD1 TYR 37 HD1 TYR 37 -2.085 -1.068 -4.220
298 HD2 TYR 37 HD2 TYR 37 -4.871 -3.582 -6.205
299 HE1 TYR 37 HE1 TYR 37 -1.194 -0.337 -6.385
300 HE2 TYR 37 HE2 TYR 37 -3.978 -2.853 -8.381
301 HH TYR 37 HH TYR 37 -1.068 -1.120 -8.703
302 H GLN 38 H GLN 38 -6.994 -2.634 -3.694
303 HA GLN 38 HA GLN 38 -7.631 -1.003 -5.874
304 HB2 GLN 38 HB2 GLN 38 -9.465 -2.472 -3.986
305 HB3 GLN 38 HB1 GLN 38 -9.971 -1.774 -5.514
306 HG2 GLN 38 HG2 GLN 38 -8.504 -3.260 -6.711
307 HG3 GLN 38 HG1 GLN 38 -7.890 -3.913 -5.194
308 HE21 GLN 38 1HE2 GLN 38 -9.200 -5.230 -7.392
309 HE22 GLN 38 2HE2 GLN 38 -10.588 -6.024 -6.747
310 H ARG 39 H ARG 39 -8.578 -0.731 -2.519
311 HA ARG 39 HA ARG 39 -10.218 1.526 -2.925
312 HB2 ARG 39 HB2 ARG 39 -8.969 0.497 -0.379
313 HB3 ARG 39 HB1 ARG 39 -10.270 1.684 -0.479
314 HG2 ARG 39 HG2 ARG 39 -11.757 0.101 -1.438
315 HG3 ARG 39 HG1 ARG 39 -10.466 -1.085 -1.617
316 HD2 ARG 39 HD2 ARG 39 -10.247 -1.053 0.883
317 HD3 ARG 39 HD1 ARG 39 -11.724 -0.082 0.920
318 HE ARG 39 HE ARG 39 -12.196 -2.308 -0.657
319 HH11 ARG 39 HH11 ARG 39 -11.554 -1.593 2.755
320 HH12 ARG 39 HH12 ARG 39 -12.377 -2.953 3.352
321 HH21 ARG 39 HH21 ARG 39 -13.365 -4.204 0.169
322 HH22 ARG 39 HH22 ARG 39 -13.424 -4.474 1.840
323 H GLU 40 H GLU 40 -6.806 1.206 -1.895
324 HA GLU 40 HA GLU 40 -6.688 4.037 -1.492
325 HB2 GLU 40 HB2 GLU 40 -4.293 3.800 -1.026
326 HB3 GLU 40 HB1 GLU 40 -5.244 2.665 -0.094
327 HG2 GLU 40 HG2 GLU 40 -4.580 0.863 -1.521
328 HG3 GLU 40 HG1 GLU 40 -3.754 1.985 -2.607
329 H LYS 41 H LYS 41 -6.585 2.215 -4.291
330 HA LYS 41 HA LYS 41 -4.969 3.934 -5.831
331 HB2 LYS 41 HB2 LYS 41 -7.312 2.183 -6.611
332 HB3 LYS 41 HB1 LYS 41 -6.337 3.081 -7.773
333 HG2 LYS 41 HG2 LYS 41 -4.370 1.811 -7.098
334 HG3 LYS 41 HG1 LYS 41 -5.330 0.952 -5.896
335 HD2 LYS 41 HD2 LYS 41 -5.035 -0.418 -7.885
336 HD3 LYS 41 HD1 LYS 41 -6.731 0.033 -7.694
337 HE2 LYS 41 HE2 LYS 41 -6.499 1.756 -9.362
338 HE3 LYS 41 HE1 LYS 41 -4.767 1.447 -9.474
339 HZ1 LYS 41 HZ1 LYS 41 -6.923 -0.473 -10.209
340 HZ2 LYS 41 HZ2 LYS 41 -5.280 -0.760 -10.380
341 HZ3 LYS 41 HZ3 LYS 41 -6.026 0.440 -11.287
342 H GLY 42 H GLY 42 -8.291 4.037 -4.798
343 HA2 GLY 42 HA2 GLY 42 -8.570 6.673 -6.060
344 HA3 GLY 42 HA1 GLY 42 -9.914 5.656 -5.532
345 H GLN 43 H GLN 43 -10.530 5.653 -3.439
346 HA GLN 43 HA GLN 43 -8.986 7.297 -1.567
347 HB2 GLN 43 HB2 GLN 43 -11.998 7.144 -1.721
348 HB3 GLN 43 HB1 GLN 43 -11.075 8.015 -0.513
349 HG2 GLN 43 HG2 GLN 43 -10.169 9.428 -2.364
350 HG3 GLN 43 HG1 GLN 43 -11.323 8.632 -3.437
351 HE21 GLN 43 1HE2 GLN 43 -13.516 8.963 -3.113
352 HE22 GLN 43 2HE2 GLN 43 -14.116 10.304 -2.197
353 H HIS 44 H HIS 44 -8.177 5.879 -0.177
354 HA HIS 44 HA HIS 44 -9.473 3.378 0.393
355 HB2 HIS 44 HB2 HIS 44 -6.952 3.757 0.515
356 HB3 HIS 44 HB1 HIS 44 -7.233 4.724 1.951
357 HD1 HIS 44 HD1 HIS 44 -6.577 1.268 0.900
358 HD2 HIS 44 HD2 HIS 44 -8.340 3.173 4.156
359 HE1 HIS 44 HE1 HIS 44 -6.677 -0.424 2.733
360 H GLN 45 H GLN 45 -8.808 6.346 2.099
361 HA GLN 45 HA GLN 45 -11.347 6.175 3.454
362 HB2 GLN 45 HB2 GLN 45 -9.711 5.261 5.059
363 HB3 GLN 45 HB1 GLN 45 -8.690 6.671 4.829
364 HG2 GLN 45 HG2 GLN 45 -10.425 8.087 5.779
365 HG3 GLN 45 HG1 GLN 45 -11.459 6.680 6.010
366 HE21 GLN 45 1HE2 GLN 45 -10.928 5.200 7.596
367 HE22 GLN 45 2HE2 GLN 45 -9.804 5.569 8.859
368 H GLY 46 H GLY 46 -12.111 7.849 2.245
369 HA2 GLY 46 HA2 GLY 46 -10.504 10.279 2.385
370 HA3 GLY 46 HA1 GLY 46 -11.319 9.793 0.902
371 H GLU 47 H GLU 47 -12.443 11.686 0.846
372 HA GLU 47 HA GLU 47 -14.458 12.034 2.934
373 HB2 GLU 47 HB2 GLU 47 -13.320 14.093 1.019
374 HB3 GLU 47 HB1 GLU 47 -14.607 14.394 2.174
375 HG2 GLU 47 HG2 GLU 47 -13.020 13.847 4.003
376 HG3 GLU 47 HG1 GLU 47 -11.745 13.702 2.799
377 H THR 48 H THR 48 -16.538 12.862 2.059
378 HA THR 48 HA THR 48 -17.203 11.296 -0.293
379 HB THR 48 HB THR 48 -19.104 12.932 1.408
380 HG1 THR 48 HG1 THR 48 -17.481 10.928 2.183
381 HG21 THR 48 HG21 THR 48 -20.681 11.147 0.794
382 HG22 THR 48 HG22 THR 48 -19.402 10.304 -0.079
383 HG23 THR 48 HG23 THR 48 -19.981 11.867 -0.657
384 H ASN 49 H ASN 49 -16.033 14.226 0.309
385 HA ASN 49 HA ASN 49 -15.672 16.119 -0.788
386 HB2 ASN 49 HB2 ASN 49 -17.054 14.701 -3.080
387 HB3 ASN 49 HB1 ASN 49 -16.395 16.327 -3.227
388 HD21 ASN 49 HD21 ASN 49 -14.177 16.602 -3.223
389 HD22 ASN 49 HD22 ASN 49 -13.076 15.301 -3.450
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 13.346 1.825 -13.515
2 H2 ARG 1 HT2 ARG 1 12.846 2.521 -12.040
3 H3 ARG 1 HT3 ARG 1 12.666 3.375 -13.456
4 HA ARG 1 HA ARG 1 11.067 1.874 -14.280
5 HB2 ARG 1 HB2 ARG 1 10.183 0.084 -12.861
6 HB3 ARG 1 HB1 ARG 1 11.897 -0.166 -13.134
7 HG2 ARG 1 HG2 ARG 1 12.402 0.671 -10.928
8 HG3 ARG 1 HG1 ARG 1 10.701 1.042 -10.658
9 HD2 ARG 1 HD2 ARG 1 10.210 -1.380 -11.033
10 HD3 ARG 1 HD1 ARG 1 11.950 -1.666 -11.029
11 HE ARG 1 HE ARG 1 11.696 -0.412 -8.749
12 HH11 ARG 1 HH11 ARG 1 9.776 -3.028 -10.103
13 HH12 ARG 1 HH12 ARG 1 9.156 -3.552 -8.605
14 HH21 ARG 1 HH21 ARG 1 10.906 -1.149 -6.688
15 HH22 ARG 1 HH22 ARG 1 9.850 -2.491 -6.611
16 H GLY 2 H GLY 2 8.709 1.782 -13.174
17 HA2 GLY 2 HA2 GLY 2 8.539 3.944 -11.219
18 HA3 GLY 2 HA1 GLY 2 7.634 4.062 -12.724
19 HA PRO 3 HA PRO 3 5.559 0.641 -10.160
20 HB2 PRO 3 HB2 PRO 3 6.192 0.379 -7.553
21 HB3 PRO 3 HB1 PRO 3 7.126 -0.421 -8.820
22 HG2 PRO 3 HG2 PRO 3 7.788 1.999 -7.226
23 HG3 PRO 3 HG1 PRO 3 8.861 0.753 -7.877
24 HD2 PRO 3 HD2 PRO 3 8.397 3.284 -8.993
25 HD3 PRO 3 HD1 PRO 3 9.171 1.917 -9.806
26 H ASP 4 H ASP 4 3.711 0.753 -8.710
27 HA ASP 4 HA ASP 4 3.001 3.527 -8.079
28 HB2 ASP 4 HB2 ASP 4 1.447 2.104 -9.489
29 HB3 ASP 4 HB1 ASP 4 1.246 1.110 -8.034
30 H LYS 5 H LYS 5 1.768 3.854 -6.164
31 HA LYS 5 HA LYS 5 3.240 2.991 -3.854
32 HB2 LYS 5 HB2 LYS 5 0.681 4.593 -4.014
33 HB3 LYS 5 HB1 LYS 5 1.622 4.347 -2.556
34 HG2 LYS 5 HG2 LYS 5 3.501 5.554 -3.598
35 HG3 LYS 5 HG1 LYS 5 2.492 5.844 -5.019
36 HD2 LYS 5 HD2 LYS 5 0.880 7.066 -3.641
37 HD3 LYS 5 HD1 LYS 5 1.853 6.747 -2.205
38 HE2 LYS 5 HE2 LYS 5 3.707 8.000 -3.212
39 HE3 LYS 5 HE1 LYS 5 2.706 8.350 -4.614
40 HZ1 LYS 5 HZ1 LYS 5 2.146 9.219 -1.825
41 HZ2 LYS 5 HZ2 LYS 5 1.184 9.560 -3.153
42 HZ3 LYS 5 HZ3 LYS 5 2.730 10.211 -3.058
43 H SER 6 H SER 6 -0.037 2.416 -5.102
44 HA SER 6 HA SER 6 -0.871 0.891 -2.896
45 HB2 SER 6 HB2 SER 6 -1.940 0.960 -5.704
46 HB3 SER 6 HB1 SER 6 -2.811 0.470 -4.245
47 HG SER 6 HG SER 6 -2.187 2.606 -3.449
48 H TYR 7 H TYR 7 0.693 0.217 -5.923
49 HA TYR 7 HA TYR 7 0.258 -2.607 -5.739
50 HB2 TYR 7 HB2 TYR 7 0.657 -1.245 -7.885
51 HB3 TYR 7 HB1 TYR 7 2.362 -1.300 -7.445
52 HD1 TYR 7 HD1 TYR 7 3.628 -3.345 -7.656
53 HD2 TYR 7 HD2 TYR 7 -0.544 -3.279 -8.449
54 HE1 TYR 7 HE1 TYR 7 3.782 -5.590 -8.686
55 HE2 TYR 7 HE2 TYR 7 -0.409 -5.498 -9.468
56 HH TYR 7 HH TYR 7 1.124 -6.985 -10.425
57 H LYS 8 H LYS 8 2.715 -0.325 -4.782
58 HA LYS 8 HA LYS 8 4.708 -2.185 -4.173
59 HB2 LYS 8 HB2 LYS 8 5.130 0.216 -4.485
60 HB3 LYS 8 HB1 LYS 8 4.205 0.563 -3.035
61 HG2 LYS 8 HG2 LYS 8 5.846 -0.528 -1.665
62 HG3 LYS 8 HG1 LYS 8 6.722 -1.068 -3.096
63 HD2 LYS 8 HD2 LYS 8 7.834 0.862 -2.129
64 HD3 LYS 8 HD1 LYS 8 7.155 1.259 -3.708
65 HE2 LYS 8 HE2 LYS 8 6.764 3.084 -2.172
66 HE3 LYS 8 HE1 LYS 8 5.235 2.330 -2.584
67 HZ1 LYS 8 HZ1 LYS 8 5.377 2.826 -0.251
68 HZ2 LYS 8 HZ2 LYS 8 6.759 1.873 -0.067
69 HZ3 LYS 8 HZ3 LYS 8 5.286 1.165 -0.455
70 H ARG 9 H ARG 9 2.200 -0.599 -2.158
71 HA ARG 9 HA ARG 9 2.870 -1.993 0.198
72 HB2 ARG 9 HB2 ARG 9 0.678 -1.322 1.096
73 HB3 ARG 9 HB1 ARG 9 1.449 0.021 0.270
74 HG2 ARG 9 HG2 ARG 9 0.037 -0.314 -1.649
75 HG3 ARG 9 HG1 ARG 9 -0.711 -1.710 -0.887
76 HD2 ARG 9 HD2 ARG 9 -0.793 1.087 0.238
77 HD3 ARG 9 HD1 ARG 9 -2.070 0.379 -0.745
78 HE ARG 9 HE ARG 9 -1.737 -1.389 1.266
79 HH11 ARG 9 HH11 ARG 9 -2.457 2.110 1.170
80 HH12 ARG 9 HH12 ARG 9 -3.247 2.114 2.661
81 HH21 ARG 9 HH21 ARG 9 -2.919 -1.348 3.305
82 HH22 ARG 9 HH22 ARG 9 -3.559 0.100 3.893
83 H LEU 10 H LEU 10 0.870 -2.810 -2.527
84 HA LEU 10 HA LEU 10 -0.441 -5.046 -1.477
85 HB2 LEU 10 HB2 LEU 10 -1.130 -3.996 -3.542
86 HB3 LEU 10 HB1 LEU 10 0.397 -4.407 -4.293
87 HG LEU 10 HG LEU 10 -0.166 -6.780 -4.150
88 HD11 LEU 10 HD11 LEU 10 -2.796 -5.817 -3.047
89 HD12 LEU 10 HD12 LEU 10 -1.560 -6.747 -2.196
90 HD13 LEU 10 HD13 LEU 10 -2.430 -7.473 -3.547
91 HD21 LEU 10 HD21 LEU 10 -2.259 -5.075 -5.480
92 HD22 LEU 10 HD22 LEU 10 -1.922 -6.769 -5.842
93 HD23 LEU 10 HD23 LEU 10 -0.695 -5.537 -6.155
94 H GLN 11 H GLN 11 2.587 -4.764 -3.252
95 HA GLN 11 HA GLN 11 3.302 -7.454 -3.352
96 HB2 GLN 11 HB2 GLN 11 4.988 -4.976 -3.153
97 HB3 GLN 11 HB1 GLN 11 5.669 -6.578 -3.391
98 HG2 GLN 11 HG2 GLN 11 4.572 -6.804 -5.485
99 HG3 GLN 11 HG1 GLN 11 3.655 -5.318 -5.223
100 HE21 GLN 11 1HE2 GLN 11 4.635 -3.400 -5.489
101 HE22 GLN 11 2HE2 GLN 11 6.183 -3.220 -6.256
102 H GLU 12 H GLU 12 4.295 -5.029 -0.960
103 HA GLU 12 HA GLU 12 5.601 -6.749 0.781
104 HB2 GLU 12 HB2 GLU 12 4.167 -4.154 1.284
105 HB3 GLU 12 HB1 GLU 12 5.149 -4.972 2.493
106 HG2 GLU 12 HG2 GLU 12 6.131 -4.029 -0.189
107 HG3 GLU 12 HG1 GLU 12 6.352 -3.170 1.335
108 H CYS 13 H CYS 13 2.200 -5.840 0.644
109 HA CYS 13 HA CYS 13 1.446 -7.102 3.038
110 HB2 CYS 13 HB2 CYS 13 0.100 -5.355 1.828
111 HB3 CYS 13 HB1 CYS 13 -0.318 -6.583 0.642
112 H GLN 14 H GLN 14 1.326 -8.212 -0.339
113 HA GLN 14 HA GLN 14 0.231 -10.726 0.271
114 HB2 GLN 14 HB2 GLN 14 1.879 -9.871 -2.100
115 HB3 GLN 14 HB1 GLN 14 1.107 -11.443 -1.965
116 HG2 GLN 14 HG2 GLN 14 -1.077 -10.285 -1.828
117 HG3 GLN 14 HG1 GLN 14 -0.237 -8.756 -2.095
118 HE21 GLN 14 1HE2 GLN 14 0.754 -8.396 -4.090
119 HE22 GLN 14 2HE2 GLN 14 0.297 -9.259 -5.507
120 H ARG 15 H ARG 15 3.600 -9.671 -0.127
121 HA ARG 15 HA ARG 15 4.829 -12.145 0.153
122 HB2 ARG 15 HB2 ARG 15 5.794 -9.443 1.019
123 HB3 ARG 15 HB1 ARG 15 6.788 -10.891 1.066
124 HG2 ARG 15 HG2 ARG 15 6.339 -11.118 -1.398
125 HG3 ARG 15 HG1 ARG 15 5.635 -9.501 -1.313
126 HD2 ARG 15 HD2 ARG 15 7.692 -8.653 -0.375
127 HD3 ARG 15 HD1 ARG 15 8.358 -10.292 -0.450
128 HE ARG 15 HE ARG 15 7.419 -9.129 -2.920
129 HH11 ARG 15 HH11 ARG 15 10.211 -9.929 -0.863
130 HH12 ARG 15 HH12 ARG 15 11.358 -9.786 -2.101
131 HH21 ARG 15 HH21 ARG 15 9.081 -8.875 -4.641
132 HH22 ARG 15 HH22 ARG 15 10.709 -9.138 -4.284
133 H ARG 16 H ARG 16 3.776 -9.905 2.654
134 HA ARG 16 HA ARG 16 4.713 -11.465 4.815
135 HB2 ARG 16 HB2 ARG 16 2.544 -9.385 4.667
136 HB3 ARG 16 HB1 ARG 16 3.063 -10.139 6.168
137 HG2 ARG 16 HG2 ARG 16 5.279 -9.270 5.877
138 HG3 ARG 16 HG1 ARG 16 4.833 -8.564 4.322
139 HD2 ARG 16 HD2 ARG 16 4.804 -6.894 6.131
140 HD3 ARG 16 HD1 ARG 16 3.220 -7.133 5.393
141 HE ARG 16 HE ARG 16 3.494 -8.821 7.614
142 HH11 ARG 16 HH11 ARG 16 3.045 -5.389 6.874
143 HH12 ARG 16 HH12 ARG 16 2.187 -5.063 8.305
144 HH21 ARG 16 HH21 ARG 16 2.292 -8.353 9.558
145 HH22 ARG 16 HH22 ARG 16 1.771 -6.762 9.858
146 H CYS 17 H CYS 17 1.581 -11.222 3.267
147 HA CYS 17 HA CYS 17 0.218 -13.106 4.787
148 HB2 CYS 17 HB2 CYS 17 -0.077 -12.373 1.888
149 HB3 CYS 17 HB1 CYS 17 -1.168 -13.474 2.714
150 H GLN 18 H GLN 18 2.395 -13.596 2.080
151 HA GLN 18 HA GLN 18 1.825 -16.380 1.874
152 HB2 GLN 18 HB2 GLN 18 4.179 -14.840 0.773
153 HB3 GLN 18 HB1 GLN 18 3.747 -16.480 0.315
154 HG2 GLN 18 HG2 GLN 18 1.519 -15.519 -0.422
155 HG3 GLN 18 HG1 GLN 18 2.253 -13.935 -0.230
156 HE21 GLN 18 1HE2 GLN 18 3.927 -13.309 -1.686
157 HE22 GLN 18 2HE2 GLN 18 4.178 -14.181 -3.142
158 H SER 19 H SER 19 3.611 -14.644 4.092
159 HA SER 19 HA SER 19 5.311 -16.932 4.738
160 HB2 SER 19 HB2 SER 19 6.377 -14.696 4.535
161 HB3 SER 19 HB1 SER 19 5.339 -14.100 5.823
162 HG SER 19 HG SER 19 7.614 -15.613 5.925
163 H GLU 20 H GLU 20 2.988 -14.657 6.256
164 HA GLU 20 HA GLU 20 2.870 -16.074 8.720
165 HB2 GLU 20 HB2 GLU 20 1.195 -13.862 7.575
166 HB3 GLU 20 HB1 GLU 20 1.198 -14.389 9.253
167 HG2 GLU 20 HG2 GLU 20 3.636 -13.404 7.840
168 HG3 GLU 20 HG1 GLU 20 2.554 -12.336 8.710
169 H GLN 21 H GLN 21 1.061 -16.210 5.697
170 HA GLN 21 HA GLN 21 -0.919 -17.904 7.030
171 HB2 GLN 21 HB2 GLN 21 -1.387 -16.047 4.693
172 HB3 GLN 21 HB1 GLN 21 -2.588 -17.072 5.461
173 HG2 GLN 21 HG2 GLN 21 -1.172 -14.751 6.752
174 HG3 GLN 21 HG1 GLN 21 -2.806 -14.721 6.112
175 HE21 GLN 21 1HE2 GLN 21 -1.893 -14.167 8.754
176 HE22 GLN 21 2HE2 GLN 21 -2.691 -15.264 9.814
177 H GLN 22 H GLN 22 -2.058 -19.266 5.264
178 HA GLN 22 HA GLN 22 -0.473 -19.985 2.997
179 HB2 GLN 22 HB2 GLN 22 -0.321 -22.377 3.774
180 HB3 GLN 22 HB1 GLN 22 0.786 -21.255 4.546
181 HG2 GLN 22 HG2 GLN 22 -0.769 -21.120 6.472
182 HG3 GLN 22 HG1 GLN 22 -1.805 -22.301 5.688
183 HE21 GLN 22 1HE2 GLN 22 0.405 -23.908 4.711
184 HE22 GLN 22 2HE2 GLN 22 1.055 -24.714 6.084
185 H GLY 23 H GLY 23 -1.531 -21.505 1.725
186 HA2 GLY 23 HA2 GLY 23 -3.351 -22.304 0.579
187 HA3 GLY 23 HA1 GLY 23 -3.865 -22.892 2.147
188 H GLN 24 H GLN 24 -5.856 -22.427 2.495
189 HA GLN 24 HA GLN 24 -7.400 -20.548 1.148
190 HB2 GLN 24 HB2 GLN 24 -7.809 -22.109 3.678
191 HB3 GLN 24 HB1 GLN 24 -9.007 -20.966 3.110
192 HG2 GLN 24 HG2 GLN 24 -9.616 -23.215 2.478
193 HG3 GLN 24 HG1 GLN 24 -9.260 -22.261 1.054
194 HE21 GLN 24 1HE2 GLN 24 -8.945 -24.085 -0.156
195 HE22 GLN 24 2HE2 GLN 24 -7.562 -25.094 -0.017
196 H ARG 25 H ARG 25 -5.769 -20.426 4.260
197 HA ARG 25 HA ARG 25 -6.846 -17.945 5.068
198 HB2 ARG 25 HB2 ARG 25 -4.361 -19.389 5.910
199 HB3 ARG 25 HB1 ARG 25 -4.929 -17.897 6.656
200 HG2 ARG 25 HG2 ARG 25 -7.081 -19.038 7.136
201 HG3 ARG 25 HG1 ARG 25 -6.362 -20.533 6.552
202 HD2 ARG 25 HD2 ARG 25 -5.238 -18.837 8.708
203 HD3 ARG 25 HD1 ARG 25 -6.281 -20.233 9.018
204 HE ARG 25 HE ARG 25 -4.396 -21.376 7.580
205 HH11 ARG 25 HH11 ARG 25 -3.965 -19.040 10.225
206 HH12 ARG 25 HH12 ARG 25 -2.470 -19.681 10.715
207 HH21 ARG 25 HH21 ARG 25 -2.339 -22.245 8.278
208 HH22 ARG 25 HH22 ARG 25 -1.519 -21.536 9.577
209 H LEU 26 H LEU 26 -4.125 -18.834 3.097
210 HA LEU 26 HA LEU 26 -2.962 -16.248 2.989
211 HB2 LEU 26 HB2 LEU 26 -1.576 -18.011 2.342
212 HB3 LEU 26 HB1 LEU 26 -2.739 -18.665 1.205
213 HG LEU 26 HG LEU 26 -2.263 -16.832 -0.343
214 HD11 LEU 26 HD11 LEU 26 -0.369 -15.836 1.784
215 HD12 LEU 26 HD12 LEU 26 -1.843 -15.048 1.184
216 HD13 LEU 26 HD13 LEU 26 -0.460 -15.237 0.121
217 HD21 LEU 26 HD21 LEU 26 0.053 -17.384 -0.881
218 HD22 LEU 26 HD22 LEU 26 -0.871 -18.826 -0.450
219 HD23 LEU 26 HD23 LEU 26 0.248 -18.114 0.713
220 H GLN 27 H GLN 27 -5.347 -17.919 1.039
221 HA GLN 27 HA GLN 27 -5.692 -15.896 -0.867
222 HB2 GLN 27 HB2 GLN 27 -7.655 -17.961 0.118
223 HB3 GLN 27 HB1 GLN 27 -7.938 -16.916 -1.268
224 HG2 GLN 27 HG2 GLN 27 -5.699 -18.900 -0.982
225 HG3 GLN 27 HG1 GLN 27 -7.156 -19.111 -1.952
226 HE21 GLN 27 1HE2 GLN 27 -7.201 -16.363 -2.918
227 HE22 GLN 27 2HE2 GLN 27 -5.890 -16.207 -4.020
228 H GLU 28 H GLU 28 -7.159 -16.370 2.272
229 HA GLU 28 HA GLU 28 -8.973 -14.208 2.109
230 HB2 GLU 28 HB2 GLU 28 -7.672 -15.449 4.542
231 HB3 GLU 28 HB1 GLU 28 -9.069 -14.382 4.575
232 HG2 GLU 28 HG2 GLU 28 -10.370 -16.014 3.327
233 HG3 GLU 28 HG1 GLU 28 -8.959 -17.062 3.219
234 H CYS 29 H CYS 29 -5.721 -14.488 3.420
235 HA CYS 29 HA CYS 29 -5.467 -11.869 4.381
236 HB2 CYS 29 HB2 CYS 29 -4.072 -13.823 4.981
237 HB3 CYS 29 HB1 CYS 29 -3.256 -13.682 3.434
238 H GLN 30 H GLN 30 -4.262 -13.279 1.302
239 HA GLN 30 HA GLN 30 -3.195 -10.803 0.440
240 HB2 GLN 30 HB2 GLN 30 -2.926 -11.785 -1.777
241 HB3 GLN 30 HB1 GLN 30 -2.404 -12.912 -0.534
242 HG2 GLN 30 HG2 GLN 30 -4.332 -14.208 -0.771
243 HG3 GLN 30 HG1 GLN 30 -5.116 -13.027 -1.835
244 HE21 GLN 30 1HE2 GLN 30 -1.758 -14.034 -1.987
245 HE22 GLN 30 2HE2 GLN 30 -1.878 -14.878 -3.478
246 H GLN 31 H GLN 31 -6.376 -12.158 0.203
247 HA GLN 31 HA GLN 31 -7.384 -10.412 -1.763
248 HB2 GLN 31 HB2 GLN 31 -8.527 -12.474 -1.115
249 HB3 GLN 31 HB1 GLN 31 -8.804 -11.827 0.492
250 HG2 GLN 31 HG2 GLN 31 -10.811 -11.760 -0.912
251 HG3 GLN 31 HG1 GLN 31 -10.296 -10.154 -0.405
252 HE21 GLN 31 1HE2 GLN 31 -9.522 -8.753 -1.904
253 HE22 GLN 31 2HE2 GLN 31 -9.717 -8.975 -3.604
254 H ARG 32 H ARG 32 -6.964 -10.151 1.704
255 HA ARG 32 HA ARG 32 -8.411 -7.755 2.120
256 HB2 ARG 32 HB2 ARG 32 -5.881 -8.638 3.532
257 HB3 ARG 32 HB1 ARG 32 -7.015 -7.439 4.105
258 HG2 ARG 32 HG2 ARG 32 -7.527 -10.400 3.843
259 HG3 ARG 32 HG1 ARG 32 -7.210 -9.524 5.335
260 HD2 ARG 32 HD2 ARG 32 -9.524 -9.764 5.346
261 HD3 ARG 32 HD1 ARG 32 -9.288 -8.147 4.693
262 HE ARG 32 HE ARG 32 -9.590 -10.364 2.841
263 HH11 ARG 32 HH11 ARG 32 -11.043 -7.485 4.359
264 HH12 ARG 32 HH12 ARG 32 -12.347 -7.406 3.275
265 HH21 ARG 32 HH21 ARG 32 -11.473 -10.243 1.372
266 HH22 ARG 32 HH22 ARG 32 -12.585 -8.980 1.566
267 H CYS 33 H CYS 33 -5.076 -8.465 1.265
268 HA CYS 33 HA CYS 33 -4.045 -5.876 1.137
269 HB2 CYS 33 HB2 CYS 33 -3.255 -8.238 -0.566
270 HB3 CYS 33 HB1 CYS 33 -2.264 -6.838 -0.174
271 H GLN 34 H GLN 34 -5.569 -7.890 -1.351
272 HA GLN 34 HA GLN 34 -5.308 -6.188 -3.555
273 HB2 GLN 34 HB2 GLN 34 -7.502 -8.160 -2.908
274 HB3 GLN 34 HB1 GLN 34 -7.306 -7.379 -4.467
275 HG2 GLN 34 HG2 GLN 34 -5.227 -9.131 -3.185
276 HG3 GLN 34 HG1 GLN 34 -6.439 -9.700 -4.330
277 HE21 GLN 34 1HE2 GLN 34 -4.851 -10.332 -5.747
278 HE22 GLN 34 2HE2 GLN 34 -3.965 -9.230 -6.726
279 H GLN 35 H GLN 35 -7.792 -6.384 -1.090
280 HA GLN 35 HA GLN 35 -9.494 -4.452 -2.208
281 HB2 GLN 35 HB2 GLN 35 -9.167 -5.402 0.629
282 HB3 GLN 35 HB1 GLN 35 -10.416 -4.268 0.132
283 HG2 GLN 35 HG2 GLN 35 -10.074 -7.057 -0.958
284 HG3 GLN 35 HG1 GLN 35 -11.233 -6.585 0.285
285 HE21 GLN 35 1HE2 GLN 35 -10.461 -6.423 -3.141
286 HE22 GLN 35 2HE2 GLN 35 -12.005 -5.803 -3.600
287 H GLU 36 H GLU 36 -6.984 -4.171 0.270
288 HA GLU 36 HA GLU 36 -7.125 -1.424 0.736
289 HB2 GLU 36 HB2 GLU 36 -4.807 -3.323 0.741
290 HB3 GLU 36 HB1 GLU 36 -4.706 -1.684 1.359
291 HG2 GLU 36 HG2 GLU 36 -6.661 -3.755 2.351
292 HG3 GLU 36 HG1 GLU 36 -5.085 -3.490 3.083
293 H TYR 37 H TYR 37 -5.203 -3.184 -1.592
294 HA TYR 37 HA TYR 37 -3.879 -1.178 -2.986
295 HB2 TYR 37 HB2 TYR 37 -3.371 -3.456 -3.489
296 HB3 TYR 37 HB1 TYR 37 -5.045 -3.818 -3.880
297 HD1 TYR 37 HD1 TYR 37 -2.120 -1.847 -5.045
298 HD2 TYR 37 HD2 TYR 37 -5.771 -3.738 -6.094
299 HE1 TYR 37 HE1 TYR 37 -1.657 -1.408 -7.401
300 HE2 TYR 37 HE2 TYR 37 -5.323 -3.315 -8.461
301 HH TYR 37 HH TYR 37 -2.337 -2.350 -9.645
302 H GLN 38 H GLN 38 -7.098 -2.477 -3.638
303 HA GLN 38 HA GLN 38 -7.711 -0.681 -5.746
304 HB2 GLN 38 HB2 GLN 38 -9.522 -2.345 -3.994
305 HB3 GLN 38 HB1 GLN 38 -10.031 -1.509 -5.455
306 HG2 GLN 38 HG2 GLN 38 -8.569 -2.871 -6.801
307 HG3 GLN 38 HG1 GLN 38 -7.899 -3.623 -5.361
308 HE21 GLN 38 1HE2 GLN 38 -11.316 -2.970 -5.689
309 HE22 GLN 38 2HE2 GLN 38 -11.781 -4.622 -5.861
310 H ARG 39 H ARG 39 -8.150 -0.595 -2.305
311 HA ARG 39 HA ARG 39 -9.943 1.600 -2.245
312 HB2 ARG 39 HB2 ARG 39 -8.183 0.436 -0.110
313 HB3 ARG 39 HB1 ARG 39 -9.320 1.743 0.172
314 HG2 ARG 39 HG2 ARG 39 -11.176 0.330 -0.347
315 HG3 ARG 39 HG1 ARG 39 -10.101 -0.958 -0.894
316 HD2 ARG 39 HD2 ARG 39 -9.155 -1.053 1.403
317 HD3 ARG 39 HD1 ARG 39 -10.378 0.105 1.914
318 HE ARG 39 HE ARG 39 -11.919 -1.717 0.883
319 HH11 ARG 39 HH11 ARG 39 -9.022 -2.250 2.887
320 HH12 ARG 39 HH12 ARG 39 -9.611 -3.675 3.586
321 HH21 ARG 39 HH21 ARG 39 -12.700 -3.697 1.875
322 HH22 ARG 39 HH22 ARG 39 -11.760 -4.497 3.041
323 H GLU 40 H GLU 40 -6.513 1.489 -2.692
324 HA GLU 40 HA GLU 40 -6.376 4.277 -1.957
325 HB2 GLU 40 HB2 GLU 40 -4.252 2.645 -3.313
326 HB3 GLU 40 HB1 GLU 40 -4.061 4.288 -2.728
327 HG2 GLU 40 HG2 GLU 40 -4.757 3.299 -0.459
328 HG3 GLU 40 HG1 GLU 40 -4.321 1.759 -1.198
329 H LYS 41 H LYS 41 -7.365 2.613 -4.633
330 HA LYS 41 HA LYS 41 -6.878 4.790 -6.495
331 HB2 LYS 41 HB2 LYS 41 -8.490 2.243 -6.822
332 HB3 LYS 41 HB1 LYS 41 -8.146 3.396 -8.102
333 HG2 LYS 41 HG2 LYS 41 -5.752 2.927 -7.860
334 HG3 LYS 41 HG1 LYS 41 -6.128 1.727 -6.620
335 HD2 LYS 41 HD2 LYS 41 -7.454 0.482 -8.236
336 HD3 LYS 41 HD1 LYS 41 -7.081 1.680 -9.477
337 HE2 LYS 41 HE2 LYS 41 -4.709 1.168 -9.251
338 HE3 LYS 41 HE1 LYS 41 -5.074 -0.052 -8.032
339 HZ1 LYS 41 HZ1 LYS 41 -4.719 -1.090 -10.145
340 HZ2 LYS 41 HZ2 LYS 41 -5.856 -0.101 -10.900
341 HZ3 LYS 41 HZ3 LYS 41 -6.362 -1.255 -9.780
342 H GLY 42 H GLY 42 -8.744 4.303 -4.018
343 HA2 GLY 42 HA2 GLY 42 -10.647 6.346 -4.756
344 HA3 GLY 42 HA1 GLY 42 -11.320 4.812 -4.177
345 H GLN 43 H GLN 43 -11.764 4.895 -2.063
346 HA GLN 43 HA GLN 43 -9.642 5.837 -0.304
347 HB2 GLN 43 HB2 GLN 43 -12.556 6.618 -0.051
348 HB3 GLN 43 HB1 GLN 43 -11.358 6.864 1.214
349 HG2 GLN 43 HG2 GLN 43 -10.079 8.312 -0.255
350 HG3 GLN 43 HG1 GLN 43 -11.235 8.041 -1.549
351 HE21 GLN 43 1HE2 GLN 43 -10.368 10.456 -0.264
352 HE22 GLN 43 2HE2 GLN 43 -11.792 11.224 0.352
353 H HIS 44 H HIS 44 -9.604 4.815 1.752
354 HA HIS 44 HA HIS 44 -10.759 2.141 1.709
355 HB2 HIS 44 HB2 HIS 44 -9.129 3.424 3.933
356 HB3 HIS 44 HB1 HIS 44 -9.499 1.727 3.758
357 HD1 HIS 44 HD1 HIS 44 -7.569 0.339 2.774
358 HD2 HIS 44 HD2 HIS 44 -7.400 4.370 1.715
359 HE1 HIS 44 HE1 HIS 44 -5.435 0.656 1.548
360 H GLN 45 H GLN 45 -10.921 5.134 3.449
361 HA GLN 45 HA GLN 45 -12.852 4.397 5.374
362 HB2 GLN 45 HB2 GLN 45 -11.944 7.033 4.257
363 HB3 GLN 45 HB1 GLN 45 -13.203 6.915 5.474
364 HG2 GLN 45 HG2 GLN 45 -11.665 5.870 7.003
365 HG3 GLN 45 HG1 GLN 45 -10.391 5.897 5.779
366 HE21 GLN 45 1HE2 GLN 45 -12.436 7.831 7.800
367 HE22 GLN 45 2HE2 GLN 45 -11.426 9.237 7.840
368 H GLY 46 H GLY 46 -15.059 5.318 5.456
369 HA2 GLY 46 HA2 GLY 46 -16.230 5.580 2.775
370 HA3 GLY 46 HA1 GLY 46 -16.993 4.629 4.054
371 H GLU 47 H GLU 47 -15.264 7.582 4.521
372 HA GLU 47 HA GLU 47 -17.667 8.755 5.704
373 HB2 GLU 47 HB2 GLU 47 -14.736 9.349 6.100
374 HB3 GLU 47 HB1 GLU 47 -15.999 10.389 6.720
375 HG2 GLU 47 HG2 GLU 47 -15.252 9.037 8.513
376 HG3 GLU 47 HG1 GLU 47 -16.832 8.431 8.046
377 H THR 48 H THR 48 -16.466 8.705 2.845
378 HA THR 48 HA THR 48 -17.351 11.403 2.217
379 HB THR 48 HB THR 48 -14.734 10.245 1.194
380 HG1 THR 48 HG1 THR 48 -15.424 11.773 3.324
381 HG21 THR 48 HG21 THR 48 -15.975 12.969 0.728
382 HG22 THR 48 HG22 THR 48 -15.884 11.681 -0.473
383 HG23 THR 48 HG23 THR 48 -14.406 12.434 0.128
384 H ASN 49 H ASN 49 -16.300 8.235 0.992
385 HA ASN 49 HA ASN 49 -18.488 8.277 -0.913
386 HB2 ASN 49 HB2 ASN 49 -16.401 8.886 -2.132
387 HB3 ASN 49 HB1 ASN 49 -15.644 7.417 -1.530
388 HD21 ASN 49 HD21 ASN 49 -16.343 5.429 -2.349
389 HD22 ASN 49 HD22 ASN 49 -17.214 5.297 -3.834
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 7.034 9.112 -12.303
2 H2 ARG 1 HT2 ARG 1 5.440 9.583 -12.621
3 H3 ARG 1 HT3 ARG 1 6.021 8.093 -13.154
4 HA ARG 1 HA ARG 1 5.740 8.834 -10.322
5 HB2 ARG 1 HB2 ARG 1 3.572 8.475 -11.578
6 HB3 ARG 1 HB1 ARG 1 4.135 6.866 -11.980
7 HG2 ARG 1 HG2 ARG 1 2.570 6.751 -10.138
8 HG3 ARG 1 HG1 ARG 1 4.179 6.308 -9.568
9 HD2 ARG 1 HD2 ARG 1 4.486 8.498 -8.603
10 HD3 ARG 1 HD1 ARG 1 2.969 9.055 -9.292
11 HE ARG 1 HE ARG 1 2.312 6.897 -7.704
12 HH11 ARG 1 HH11 ARG 1 3.921 9.986 -7.132
13 HH12 ARG 1 HH12 ARG 1 3.255 10.203 -5.582
14 HH21 ARG 1 HH21 ARG 1 1.426 7.168 -5.653
15 HH22 ARG 1 HH22 ARG 1 1.751 8.571 -4.699
16 H GLY 2 H GLY 2 7.301 7.779 -9.248
17 HA2 GLY 2 HA2 GLY 2 8.602 5.396 -10.297
18 HA3 GLY 2 HA1 GLY 2 8.913 6.223 -8.778
19 HA PRO 3 HA PRO 3 6.664 2.339 -7.642
20 HB2 PRO 3 HB2 PRO 3 7.992 2.092 -5.246
21 HB3 PRO 3 HB1 PRO 3 8.578 1.374 -6.753
22 HG2 PRO 3 HG2 PRO 3 9.249 3.980 -5.509
23 HG3 PRO 3 HG1 PRO 3 10.390 2.739 -6.117
24 HD2 PRO 3 HD2 PRO 3 9.845 4.873 -7.620
25 HD3 PRO 3 HD1 PRO 3 9.843 3.270 -8.381
26 H ASP 4 H ASP 4 4.897 2.506 -6.562
27 HA ASP 4 HA ASP 4 4.213 5.082 -5.325
28 HB2 ASP 4 HB2 ASP 4 2.758 3.854 -7.120
29 HB3 ASP 4 HB1 ASP 4 2.327 2.805 -5.765
30 H LYS 5 H LYS 5 2.892 5.006 -3.440
31 HA LYS 5 HA LYS 5 4.141 3.558 -1.281
32 HB2 LYS 5 HB2 LYS 5 1.529 5.079 -1.220
33 HB3 LYS 5 HB1 LYS 5 2.525 4.652 0.150
34 HG2 LYS 5 HG2 LYS 5 4.237 6.232 -0.617
35 HG3 LYS 5 HG1 LYS 5 3.207 6.661 -1.990
36 HD2 LYS 5 HD2 LYS 5 1.421 7.319 -0.391
37 HD3 LYS 5 HD1 LYS 5 2.536 6.999 0.934
38 HE2 LYS 5 HE2 LYS 5 4.047 8.719 0.054
39 HE3 LYS 5 HE1 LYS 5 2.905 9.052 -1.246
40 HZ1 LYS 5 HZ1 LYS 5 2.628 10.641 0.510
41 HZ2 LYS 5 HZ2 LYS 5 2.448 9.442 1.662
42 HZ3 LYS 5 HZ3 LYS 5 1.253 9.670 0.497
43 H SER 6 H SER 6 1.052 3.616 -2.960
44 HA SER 6 HA SER 6 -0.266 1.737 -1.380
45 HB2 SER 6 HB2 SER 6 -0.842 2.646 -4.188
46 HB3 SER 6 HB1 SER 6 -1.989 1.942 -3.041
47 HG SER 6 HG SER 6 -2.276 3.842 -2.299
48 H TYR 7 H TYR 7 1.526 1.452 -4.436
49 HA TYR 7 HA TYR 7 0.720 -1.290 -4.685
50 HB2 TYR 7 HB2 TYR 7 1.284 0.153 -6.688
51 HB3 TYR 7 HB1 TYR 7 2.971 0.038 -6.207
52 HD1 TYR 7 HD1 TYR 7 4.264 -1.907 -6.722
53 HD2 TYR 7 HD2 TYR 7 0.055 -1.952 -7.316
54 HE1 TYR 7 HE1 TYR 7 4.461 -4.047 -7.890
55 HE2 TYR 7 HE2 TYR 7 0.238 -4.093 -8.492
56 HH TYR 7 HH TYR 7 3.153 -5.943 -8.457
57 H LYS 8 H LYS 8 3.448 0.435 -3.386
58 HA LYS 8 HA LYS 8 5.195 -1.739 -3.053
59 HB2 LYS 8 HB2 LYS 8 5.845 0.648 -2.855
60 HB3 LYS 8 HB1 LYS 8 4.923 0.746 -1.365
61 HG2 LYS 8 HG2 LYS 8 6.427 -0.853 -0.309
62 HG3 LYS 8 HG1 LYS 8 7.333 -1.009 -1.813
63 HD2 LYS 8 HD2 LYS 8 8.533 0.511 -0.394
64 HD3 LYS 8 HD1 LYS 8 7.809 1.431 -1.705
65 HE2 LYS 8 HE2 LYS 8 7.541 2.629 0.381
66 HE3 LYS 8 HE1 LYS 8 5.966 2.101 -0.197
67 HZ1 LYS 8 HZ1 LYS 8 6.193 1.715 2.163
68 HZ2 LYS 8 HZ2 LYS 8 7.582 0.807 1.931
69 HZ3 LYS 8 HZ3 LYS 8 6.107 0.223 1.391
70 H ARG 9 H ARG 9 2.811 -0.260 -0.869
71 HA ARG 9 HA ARG 9 3.281 -2.118 1.188
72 HB2 ARG 9 HB2 ARG 9 1.228 -1.268 2.243
73 HB3 ARG 9 HB1 ARG 9 2.265 0.029 1.675
74 HG2 ARG 9 HG2 ARG 9 0.810 0.186 -0.346
75 HG3 ARG 9 HG1 ARG 9 -0.292 -0.942 0.441
76 HD2 ARG 9 HD2 ARG 9 -1.007 1.360 0.792
77 HD3 ARG 9 HD1 ARG 9 -0.538 0.616 2.316
78 HE ARG 9 HE ARG 9 1.728 1.842 1.421
79 HH11 ARG 9 HH11 ARG 9 -1.555 2.946 2.151
80 HH12 ARG 9 HH12 ARG 9 -1.099 4.501 2.632
81 HH21 ARG 9 HH21 ARG 9 2.383 4.011 2.120
82 HH22 ARG 9 HH22 ARG 9 1.197 5.101 2.659
83 H LEU 10 H LEU 10 1.082 -2.164 -1.535
84 HA LEU 10 HA LEU 10 -0.463 -4.387 -0.771
85 HB2 LEU 10 HB2 LEU 10 -1.165 -2.831 -2.501
86 HB3 LEU 10 HB1 LEU 10 0.204 -3.255 -3.489
87 HG LEU 10 HG LEU 10 -2.127 -4.122 -4.173
88 HD11 LEU 10 HD11 LEU 10 -0.200 -4.887 -5.288
89 HD12 LEU 10 HD12 LEU 10 -1.404 -6.153 -4.993
90 HD13 LEU 10 HD13 LEU 10 0.073 -6.107 -4.015
91 HD21 LEU 10 HD21 LEU 10 -2.801 -6.239 -3.226
92 HD22 LEU 10 HD22 LEU 10 -2.852 -4.948 -2.021
93 HD23 LEU 10 HD23 LEU 10 -1.524 -6.112 -2.022
94 H GLN 11 H GLN 11 2.348 -4.199 -2.906
95 HA GLN 11 HA GLN 11 2.491 -6.965 -3.375
96 HB2 GLN 11 HB2 GLN 11 4.732 -6.604 -4.258
97 HB3 GLN 11 HB1 GLN 11 3.653 -5.338 -4.816
98 HG2 GLN 11 HG2 GLN 11 4.565 -3.828 -3.137
99 HG3 GLN 11 HG1 GLN 11 5.639 -5.101 -2.573
100 HE21 GLN 11 1HE2 GLN 11 4.990 -2.808 -5.027
101 HE22 GLN 11 2HE2 GLN 11 6.508 -2.939 -5.836
102 H GLU 12 H GLU 12 4.084 -4.990 -0.883
103 HA GLU 12 HA GLU 12 5.508 -7.143 0.221
104 HB2 GLU 12 HB2 GLU 12 4.604 -4.536 1.423
105 HB3 GLU 12 HB1 GLU 12 5.689 -5.668 2.223
106 HG2 GLU 12 HG2 GLU 12 6.220 -4.359 -0.427
107 HG3 GLU 12 HG1 GLU 12 6.841 -3.786 1.116
108 H CYS 13 H CYS 13 2.299 -5.808 0.846
109 HA CYS 13 HA CYS 13 1.694 -7.244 3.156
110 HB2 CYS 13 HB2 CYS 13 0.308 -5.368 2.299
111 HB3 CYS 13 HB1 CYS 13 -0.225 -6.389 0.971
112 H GLN 14 H GLN 14 1.052 -8.096 -0.255
113 HA GLN 14 HA GLN 14 -0.107 -10.567 0.414
114 HB2 GLN 14 HB2 GLN 14 0.233 -11.204 -1.990
115 HB3 GLN 14 HB1 GLN 14 -0.624 -9.692 -1.752
116 HG2 GLN 14 HG2 GLN 14 1.316 -8.445 -2.355
117 HG3 GLN 14 HG1 GLN 14 2.300 -9.908 -2.406
118 HE21 GLN 14 1HE2 GLN 14 -0.145 -8.018 -4.060
119 HE22 GLN 14 2HE2 GLN 14 -0.050 -8.898 -5.535
120 H ARG 15 H ARG 15 3.243 -9.702 -0.231
121 HA ARG 15 HA ARG 15 4.184 -12.385 -0.209
122 HB2 ARG 15 HB2 ARG 15 5.678 -9.841 0.448
123 HB3 ARG 15 HB1 ARG 15 6.420 -11.406 0.133
124 HG2 ARG 15 HG2 ARG 15 4.841 -9.739 -1.792
125 HG3 ARG 15 HG1 ARG 15 6.584 -9.962 -1.793
126 HD2 ARG 15 HD2 ARG 15 6.232 -12.377 -2.214
127 HD3 ARG 15 HD1 ARG 15 4.491 -12.083 -2.281
128 HE ARG 15 HE ARG 15 6.043 -10.428 -3.976
129 HH11 ARG 15 HH11 ARG 15 4.238 -13.470 -3.798
130 HH12 ARG 15 HH12 ARG 15 4.112 -13.667 -5.481
131 HH21 ARG 15 HH21 ARG 15 5.851 -10.686 -6.307
132 HH22 ARG 15 HH22 ARG 15 5.071 -12.052 -6.957
133 H ARG 16 H ARG 16 3.708 -9.972 2.278
134 HA ARG 16 HA ARG 16 4.793 -11.391 4.460
135 HB2 ARG 16 HB2 ARG 16 2.622 -9.304 4.299
136 HB3 ARG 16 HB1 ARG 16 3.164 -9.985 5.826
137 HG2 ARG 16 HG2 ARG 16 5.323 -9.127 5.545
138 HG3 ARG 16 HG1 ARG 16 5.008 -8.656 3.876
139 HD2 ARG 16 HD2 ARG 16 4.968 -6.740 5.430
140 HD3 ARG 16 HD1 ARG 16 3.434 -6.968 4.599
141 HE ARG 16 HE ARG 16 3.053 -8.288 6.913
142 HH11 ARG 16 HH11 ARG 16 4.386 -5.057 6.332
143 HH12 ARG 16 HH12 ARG 16 3.709 -4.363 7.715
144 HH21 ARG 16 HH21 ARG 16 2.093 -7.362 8.786
145 HH22 ARG 16 HH22 ARG 16 2.343 -5.721 9.169
146 H CYS 17 H CYS 17 1.600 -11.270 3.111
147 HA CYS 17 HA CYS 17 0.340 -13.042 4.830
148 HB2 CYS 17 HB2 CYS 17 -0.117 -12.453 1.935
149 HB3 CYS 17 HB1 CYS 17 -1.159 -13.553 2.820
150 H GLN 18 H GLN 18 2.373 -13.746 2.048
151 HA GLN 18 HA GLN 18 1.905 -16.542 2.052
152 HB2 GLN 18 HB2 GLN 18 4.273 -14.996 0.994
153 HB3 GLN 18 HB1 GLN 18 3.939 -16.685 0.642
154 HG2 GLN 18 HG2 GLN 18 1.749 -15.936 -0.320
155 HG3 GLN 18 HG1 GLN 18 2.317 -14.288 -0.141
156 HE21 GLN 18 1HE2 GLN 18 2.777 -17.272 -1.796
157 HE22 GLN 18 2HE2 GLN 18 3.669 -16.646 -3.135
158 H SER 19 H SER 19 3.733 -14.553 4.063
159 HA SER 19 HA SER 19 5.443 -16.688 5.003
160 HB2 SER 19 HB2 SER 19 6.404 -14.455 4.707
161 HB3 SER 19 HB1 SER 19 5.200 -13.773 5.792
162 HG SER 19 HG SER 19 6.138 -14.696 7.477
163 H GLU 20 H GLU 20 2.854 -14.547 6.244
164 HA GLU 20 HA GLU 20 2.848 -15.835 8.806
165 HB2 GLU 20 HB2 GLU 20 0.943 -13.804 7.721
166 HB3 GLU 20 HB1 GLU 20 1.353 -14.122 9.403
167 HG2 GLU 20 HG2 GLU 20 3.194 -13.004 7.316
168 HG3 GLU 20 HG1 GLU 20 2.391 -12.077 8.562
169 H GLN 21 H GLN 21 1.014 -16.103 5.847
170 HA GLN 21 HA GLN 21 -0.941 -17.797 7.233
171 HB2 GLN 21 HB2 GLN 21 -1.438 -15.906 4.921
172 HB3 GLN 21 HB1 GLN 21 -2.614 -17.046 5.554
173 HG2 GLN 21 HG2 GLN 21 -1.390 -14.780 7.108
174 HG3 GLN 21 HG1 GLN 21 -2.976 -14.740 6.348
175 HE21 GLN 21 1HE2 GLN 21 -2.197 -14.475 9.122
176 HE22 GLN 21 2HE2 GLN 21 -3.056 -15.684 10.003
177 H GLN 22 H GLN 22 -2.088 -19.221 5.534
178 HA GLN 22 HA GLN 22 -0.468 -19.979 3.287
179 HB2 GLN 22 HB2 GLN 22 -0.339 -22.349 4.047
180 HB3 GLN 22 HB1 GLN 22 0.677 -21.253 4.967
181 HG2 GLN 22 HG2 GLN 22 -0.942 -21.236 6.771
182 HG3 GLN 22 HG1 GLN 22 -2.038 -22.236 5.828
183 HE21 GLN 22 1HE2 GLN 22 -2.078 -23.846 7.336
184 HE22 GLN 22 2HE2 GLN 22 -0.735 -24.874 7.683
185 H GLY 23 H GLY 23 -1.517 -21.677 2.087
186 HA2 GLY 23 HA2 GLY 23 -3.304 -22.625 1.015
187 HA3 GLY 23 HA1 GLY 23 -3.930 -22.874 2.632
188 H GLN 24 H GLN 24 -5.950 -22.344 2.636
189 HA GLN 24 HA GLN 24 -7.196 -20.515 0.855
190 HB2 GLN 24 HB2 GLN 24 -8.252 -21.617 3.468
191 HB3 GLN 24 HB1 GLN 24 -9.209 -20.835 2.224
192 HG2 GLN 24 HG2 GLN 24 -7.779 -23.479 1.996
193 HG3 GLN 24 HG1 GLN 24 -9.514 -23.232 2.158
194 HE21 GLN 24 1HE2 GLN 24 -10.671 -22.419 0.383
195 HE22 GLN 24 2HE2 GLN 24 -10.031 -22.458 -1.213
196 H ARG 25 H ARG 25 -6.012 -20.335 4.157
197 HA ARG 25 HA ARG 25 -7.080 -17.819 4.836
198 HB2 ARG 25 HB2 ARG 25 -4.588 -19.199 5.830
199 HB3 ARG 25 HB1 ARG 25 -5.378 -17.836 6.612
200 HG2 ARG 25 HG2 ARG 25 -6.679 -20.495 6.128
201 HG3 ARG 25 HG1 ARG 25 -5.888 -20.040 7.634
202 HD2 ARG 25 HD2 ARG 25 -8.232 -18.618 6.353
203 HD3 ARG 25 HD1 ARG 25 -8.343 -19.749 7.694
204 HE ARG 25 HE ARG 25 -6.735 -18.074 8.790
205 HH11 ARG 25 HH11 ARG 25 -9.316 -17.106 6.550
206 HH12 ARG 25 HH12 ARG 25 -9.698 -15.698 7.417
207 HH21 ARG 25 HH21 ARG 25 -7.282 -16.105 9.941
208 HH22 ARG 25 HH22 ARG 25 -8.538 -15.115 9.346
209 H LEU 26 H LEU 26 -4.242 -18.816 3.128
210 HA LEU 26 HA LEU 26 -2.963 -16.290 3.022
211 HB2 LEU 26 HB2 LEU 26 -1.661 -18.127 2.510
212 HB3 LEU 26 HB1 LEU 26 -2.765 -18.731 1.276
213 HG LEU 26 HG LEU 26 -2.136 -16.772 -0.126
214 HD11 LEU 26 HD11 LEU 26 -1.508 -15.262 1.620
215 HD12 LEU 26 HD12 LEU 26 -0.174 -15.479 0.490
216 HD13 LEU 26 HD13 LEU 26 -0.148 -16.287 2.063
217 HD21 LEU 26 HD21 LEU 26 0.189 -18.430 0.792
218 HD22 LEU 26 HD22 LEU 26 0.033 -17.561 -0.746
219 HD23 LEU 26 HD23 LEU 26 -1.029 -18.921 -0.386
220 H GLN 27 H GLN 27 -5.239 -17.921 0.895
221 HA GLN 27 HA GLN 27 -5.329 -16.014 -1.141
222 HB2 GLN 27 HB2 GLN 27 -7.531 -17.800 -0.110
223 HB3 GLN 27 HB1 GLN 27 -7.600 -16.881 -1.605
224 HG2 GLN 27 HG2 GLN 27 -5.697 -18.153 -2.470
225 HG3 GLN 27 HG1 GLN 27 -5.643 -19.070 -0.967
226 HE21 GLN 27 1HE2 GLN 27 -8.658 -18.092 -2.392
227 HE22 GLN 27 2HE2 GLN 27 -9.147 -19.667 -2.895
228 H GLU 28 H GLU 28 -7.195 -16.325 1.813
229 HA GLU 28 HA GLU 28 -8.795 -14.038 1.507
230 HB2 GLU 28 HB2 GLU 28 -7.868 -15.376 4.037
231 HB3 GLU 28 HB1 GLU 28 -9.221 -14.261 3.894
232 HG2 GLU 28 HG2 GLU 28 -10.346 -15.851 2.420
233 HG3 GLU 28 HG1 GLU 28 -8.997 -16.969 2.614
234 H CYS 29 H CYS 29 -5.698 -14.532 3.173
235 HA CYS 29 HA CYS 29 -5.488 -11.952 4.260
236 HB2 CYS 29 HB2 CYS 29 -4.106 -13.915 4.927
237 HB3 CYS 29 HB1 CYS 29 -3.207 -13.758 3.431
238 H GLN 30 H GLN 30 -4.114 -13.292 1.254
239 HA GLN 30 HA GLN 30 -3.042 -10.839 0.368
240 HB2 GLN 30 HB2 GLN 30 -3.779 -13.356 -1.101
241 HB3 GLN 30 HB1 GLN 30 -3.110 -11.959 -1.937
242 HG2 GLN 30 HG2 GLN 30 -1.118 -12.064 -0.548
243 HG3 GLN 30 HG1 GLN 30 -1.787 -13.430 0.331
244 HE21 GLN 30 1HE2 GLN 30 -2.838 -14.757 -1.940
245 HE22 GLN 30 2HE2 GLN 30 -1.497 -15.364 -2.855
246 H GLN 31 H GLN 31 -6.193 -12.253 0.007
247 HA GLN 31 HA GLN 31 -7.341 -10.509 -1.846
248 HB2 GLN 31 HB2 GLN 31 -8.374 -12.591 -1.063
249 HB3 GLN 31 HB1 GLN 31 -8.543 -11.909 0.538
250 HG2 GLN 31 HG2 GLN 31 -10.160 -10.314 -0.286
251 HG3 GLN 31 HG1 GLN 31 -9.951 -10.933 -1.929
252 HE21 GLN 31 1HE2 GLN 31 -12.304 -10.881 -0.193
253 HE22 GLN 31 2HE2 GLN 31 -12.854 -12.506 -0.105
254 H ARG 32 H ARG 32 -7.095 -10.328 1.686
255 HA ARG 32 HA ARG 32 -8.418 -7.904 2.116
256 HB2 ARG 32 HB2 ARG 32 -6.088 -9.097 3.610
257 HB3 ARG 32 HB1 ARG 32 -6.985 -7.691 4.154
258 HG2 ARG 32 HG2 ARG 32 -9.010 -9.061 4.303
259 HG3 ARG 32 HG1 ARG 32 -8.078 -10.463 3.772
260 HD2 ARG 32 HD2 ARG 32 -6.671 -10.345 5.702
261 HD3 ARG 32 HD1 ARG 32 -7.409 -8.829 6.211
262 HE ARG 32 HE ARG 32 -9.371 -10.818 6.000
263 HH11 ARG 32 HH11 ARG 32 -6.577 -10.014 8.012
264 HH12 ARG 32 HH12 ARG 32 -7.221 -10.659 9.450
265 HH21 ARG 32 HH21 ARG 32 -10.311 -11.639 8.007
266 HH22 ARG 32 HH22 ARG 32 -9.417 -11.618 9.449
267 H CYS 33 H CYS 33 -5.016 -8.537 1.388
268 HA CYS 33 HA CYS 33 -4.076 -5.901 1.549
269 HB2 CYS 33 HB2 CYS 33 -3.102 -8.056 -0.337
270 HB3 CYS 33 HB1 CYS 33 -2.200 -6.642 0.192
271 H GLN 34 H GLN 34 -5.452 -7.731 -1.160
272 HA GLN 34 HA GLN 34 -5.077 -5.734 -3.107
273 HB2 GLN 34 HB2 GLN 34 -7.063 -7.991 -3.001
274 HB3 GLN 34 HB1 GLN 34 -6.746 -6.998 -4.416
275 HG2 GLN 34 HG2 GLN 34 -4.417 -7.760 -4.406
276 HG3 GLN 34 HG1 GLN 34 -4.780 -8.762 -3.000
277 HE21 GLN 34 1HE2 GLN 34 -4.244 -10.618 -4.048
278 HE22 GLN 34 2HE2 GLN 34 -5.220 -11.325 -5.276
279 H GLN 35 H GLN 35 -7.703 -6.494 -0.894
280 HA GLN 35 HA GLN 35 -9.622 -4.657 -1.835
281 HB2 GLN 35 HB2 GLN 35 -9.115 -5.515 1.024
282 HB3 GLN 35 HB1 GLN 35 -10.542 -4.661 0.473
283 HG2 GLN 35 HG2 GLN 35 -9.704 -7.460 -0.252
284 HG3 GLN 35 HG1 GLN 35 -11.041 -6.990 0.792
285 HE21 GLN 35 1HE2 GLN 35 -9.960 -7.439 -2.431
286 HE22 GLN 35 2HE2 GLN 35 -11.476 -7.149 -3.190
287 H GLU 36 H GLU 36 -7.076 -4.336 0.584
288 HA GLU 36 HA GLU 36 -7.430 -1.665 1.260
289 HB2 GLU 36 HB2 GLU 36 -4.962 -3.359 1.183
290 HB3 GLU 36 HB1 GLU 36 -4.969 -1.724 1.814
291 HG2 GLU 36 HG2 GLU 36 -6.533 -4.087 2.843
292 HG3 GLU 36 HG1 GLU 36 -5.142 -3.332 3.619
293 H TYR 37 H TYR 37 -5.378 -3.090 -1.207
294 HA TYR 37 HA TYR 37 -4.262 -0.736 -2.183
295 HB2 TYR 37 HB2 TYR 37 -3.359 -2.856 -2.855
296 HB3 TYR 37 HB1 TYR 37 -4.798 -3.320 -3.726
297 HD1 TYR 37 HD1 TYR 37 -4.997 -2.774 -6.024
298 HD2 TYR 37 HD2 TYR 37 -2.052 -0.820 -3.661
299 HE1 TYR 37 HE1 TYR 37 -4.032 -1.774 -8.058
300 HE2 TYR 37 HE2 TYR 37 -1.085 0.180 -5.678
301 HH TYR 37 HH TYR 37 -2.671 0.139 -8.683
302 H GLN 38 H GLN 38 -7.352 -2.168 -3.020
303 HA GLN 38 HA GLN 38 -7.983 -0.338 -5.113
304 HB2 GLN 38 HB2 GLN 38 -9.705 -2.074 -3.360
305 HB3 GLN 38 HB1 GLN 38 -10.353 -1.087 -4.660
306 HG2 GLN 38 HG2 GLN 38 -9.231 -2.345 -6.304
307 HG3 GLN 38 HG1 GLN 38 -8.211 -3.137 -5.100
308 HE21 GLN 38 1HE2 GLN 38 -9.000 -4.752 -3.942
309 HE22 GLN 38 2HE2 GLN 38 -10.482 -5.592 -4.265
310 H ARG 39 H ARG 39 -8.339 -0.219 -1.674
311 HA ARG 39 HA ARG 39 -10.116 2.051 -1.671
312 HB2 ARG 39 HB2 ARG 39 -8.557 0.709 0.543
313 HB3 ARG 39 HB1 ARG 39 -9.765 1.964 0.787
314 HG2 ARG 39 HG2 ARG 39 -11.505 0.554 0.022
315 HG3 ARG 39 HG1 ARG 39 -10.360 -0.655 -0.559
316 HD2 ARG 39 HD2 ARG 39 -9.666 -1.104 1.735
317 HD3 ARG 39 HD1 ARG 39 -10.778 0.131 2.324
318 HE ARG 39 HE ARG 39 -12.515 -1.324 1.142
319 HH11 ARG 39 HH11 ARG 39 -9.700 -2.655 2.948
320 HH12 ARG 39 HH12 ARG 39 -10.513 -4.106 3.262
321 HH21 ARG 39 HH21 ARG 39 -13.532 -3.329 1.668
322 HH22 ARG 39 HH22 ARG 39 -12.695 -4.515 2.566
323 H GLU 40 H GLU 40 -6.776 1.371 -0.946
324 HA GLU 40 HA GLU 40 -6.167 4.158 -0.377
325 HB2 GLU 40 HB2 GLU 40 -4.672 1.585 0.018
326 HB3 GLU 40 HB1 GLU 40 -4.054 3.174 0.455
327 HG2 GLU 40 HG2 GLU 40 -6.659 2.157 1.475
328 HG3 GLU 40 HG1 GLU 40 -5.147 1.774 2.296
329 H LYS 41 H LYS 41 -6.493 2.787 -3.140
330 HA LYS 41 HA LYS 41 -3.995 2.799 -4.440
331 HB2 LYS 41 HB2 LYS 41 -5.254 3.081 -6.551
332 HB3 LYS 41 HB1 LYS 41 -5.875 1.789 -5.539
333 HG2 LYS 41 HG2 LYS 41 -7.675 3.311 -4.774
334 HG3 LYS 41 HG1 LYS 41 -7.076 4.531 -5.898
335 HD2 LYS 41 HD2 LYS 41 -7.955 1.769 -6.676
336 HD3 LYS 41 HD1 LYS 41 -8.990 3.197 -6.779
337 HE2 LYS 41 HE2 LYS 41 -7.444 4.203 -8.371
338 HE3 LYS 41 HE1 LYS 41 -6.362 2.819 -8.222
339 HZ1 LYS 41 HZ1 LYS 41 -9.133 2.717 -9.272
340 HZ2 LYS 41 HZ2 LYS 41 -8.085 1.420 -9.108
341 HZ3 LYS 41 HZ3 LYS 41 -7.716 2.662 -10.190
342 H GLY 42 H GLY 42 -6.134 5.298 -3.584
343 HA2 GLY 42 HA2 GLY 42 -4.122 7.277 -4.210
344 HA3 GLY 42 HA1 GLY 42 -5.791 7.541 -4.758
345 H GLN 43 H GLN 43 -4.041 8.745 -2.533
346 HA GLN 43 HA GLN 43 -5.472 7.936 -0.206
347 HB2 GLN 43 HB2 GLN 43 -3.411 10.117 -0.606
348 HB3 GLN 43 HB1 GLN 43 -4.103 9.681 0.953
349 HG2 GLN 43 HG2 GLN 43 -3.195 7.436 0.767
350 HG3 GLN 43 HG1 GLN 43 -2.566 7.802 -0.833
351 HE21 GLN 43 1HE2 GLN 43 -2.188 8.294 2.576
352 HE22 GLN 43 2HE2 GLN 43 -0.587 8.939 2.499
353 H HIS 44 H HIS 44 -7.490 8.322 -0.792
354 HA HIS 44 HA HIS 44 -8.378 11.111 -1.085
355 HB2 HIS 44 HB2 HIS 44 -9.974 8.551 -1.405
356 HB3 HIS 44 HB1 HIS 44 -10.554 10.175 -1.734
357 HD1 HIS 44 HD1 HIS 44 -9.786 7.406 -3.634
358 HD2 HIS 44 HD2 HIS 44 -8.374 11.318 -3.726
359 HE1 HIS 44 HE1 HIS 44 -8.860 7.755 -5.924
360 H GLN 45 H GLN 45 -8.737 8.212 0.872
361 HA GLN 45 HA GLN 45 -10.576 9.408 2.702
362 HB2 GLN 45 HB2 GLN 45 -8.816 6.964 3.018
363 HB3 GLN 45 HB1 GLN 45 -10.162 7.404 4.055
364 HG2 GLN 45 HG2 GLN 45 -11.714 7.076 2.217
365 HG3 GLN 45 HG1 GLN 45 -10.381 6.689 1.134
366 HE21 GLN 45 1HE2 GLN 45 -9.274 4.744 1.436
367 HE22 GLN 45 2HE2 GLN 45 -9.939 3.434 2.341
368 H GLY 46 H GLY 46 -7.145 8.884 2.422
369 HA2 GLY 46 HA2 GLY 46 -6.409 9.879 4.970
370 HA3 GLY 46 HA1 GLY 46 -5.364 9.643 3.579
371 H GLU 47 H GLU 47 -6.133 11.880 5.610
372 HA GLU 47 HA GLU 47 -6.648 14.029 3.761
373 HB2 GLU 47 HB2 GLU 47 -6.114 14.037 6.736
374 HB3 GLU 47 HB1 GLU 47 -6.520 15.463 5.790
375 HG2 GLU 47 HG2 GLU 47 -8.672 14.424 5.199
376 HG3 GLU 47 HG1 GLU 47 -8.262 13.043 6.212
377 H THR 48 H THR 48 -5.178 15.722 3.380
378 HA THR 48 HA THR 48 -2.461 14.872 3.269
379 HB THR 48 HB THR 48 -3.639 17.591 2.611
380 HG1 THR 48 HG1 THR 48 -3.829 15.146 1.345
381 HG21 THR 48 HG21 THR 48 -1.139 16.203 1.615
382 HG22 THR 48 HG22 THR 48 -1.187 17.540 2.766
383 HG23 THR 48 HG23 THR 48 -1.712 17.792 1.101
384 H ASN 49 H ASN 49 -1.925 14.657 5.454
385 HA ASN 49 HA ASN 49 -1.140 17.082 6.783
386 HB2 ASN 49 HB2 ASN 49 -3.368 16.838 7.706
387 HB3 ASN 49 HB1 ASN 49 -3.085 15.135 8.042
388 HD21 ASN 49 HD21 ASN 49 -3.561 15.428 10.193
389 HD22 ASN 49 HD22 ASN 49 -2.479 16.198 11.306
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 4.123 8.548 -14.495
2 H2 ARG 1 HT2 ARG 1 5.476 8.475 -13.487
3 H3 ARG 1 HT3 ARG 1 4.016 7.868 -12.954
4 HA ARG 1 HA ARG 1 4.071 6.125 -14.532
5 HB2 ARG 1 HB2 ARG 1 6.743 7.342 -15.309
6 HB3 ARG 1 HB1 ARG 1 6.176 5.769 -15.839
7 HG2 ARG 1 HG2 ARG 1 4.842 8.404 -16.465
8 HG3 ARG 1 HG1 ARG 1 5.877 7.491 -17.561
9 HD2 ARG 1 HD2 ARG 1 4.324 5.624 -17.475
10 HD3 ARG 1 HD1 ARG 1 3.277 6.513 -16.374
11 HE ARG 1 HE ARG 1 3.800 7.840 -18.860
12 HH11 ARG 1 HH11 ARG 1 1.655 5.571 -17.164
13 HH12 ARG 1 HH12 ARG 1 0.397 5.718 -18.296
14 HH21 ARG 1 HH21 ARG 1 1.999 8.012 -20.422
15 HH22 ARG 1 HH22 ARG 1 0.567 7.162 -20.106
16 H GLY 2 H GLY 2 5.517 4.172 -14.209
17 HA2 GLY 2 HA2 GLY 2 7.132 3.068 -12.871
18 HA3 GLY 2 HA1 GLY 2 7.023 4.388 -11.707
19 HA PRO 3 HA PRO 3 4.152 0.973 -10.392
20 HB2 PRO 3 HB2 PRO 3 5.328 0.283 -8.060
21 HB3 PRO 3 HB1 PRO 3 5.819 -0.425 -9.602
22 HG2 PRO 3 HG2 PRO 3 7.102 1.770 -8.033
23 HG3 PRO 3 HG1 PRO 3 7.863 0.427 -8.904
24 HD2 PRO 3 HD2 PRO 3 7.665 2.977 -9.897
25 HD3 PRO 3 HD1 PRO 3 7.773 1.533 -10.919
26 H ASP 4 H ASP 4 2.585 1.167 -8.766
27 HA ASP 4 HA ASP 4 2.310 3.820 -7.650
28 HB2 ASP 4 HB2 ASP 4 0.515 1.394 -7.404
29 HB3 ASP 4 HB1 ASP 4 0.158 2.947 -6.671
30 H LYS 5 H LYS 5 2.117 4.331 -5.473
31 HA LYS 5 HA LYS 5 3.975 3.154 -3.721
32 HB2 LYS 5 HB2 LYS 5 1.555 4.840 -3.039
33 HB3 LYS 5 HB1 LYS 5 2.903 4.525 -1.968
34 HG2 LYS 5 HG2 LYS 5 4.402 5.773 -3.380
35 HG3 LYS 5 HG1 LYS 5 3.143 5.989 -4.594
36 HD2 LYS 5 HD2 LYS 5 3.002 7.051 -1.762
37 HD3 LYS 5 HD1 LYS 5 3.501 7.999 -3.162
38 HE2 LYS 5 HE2 LYS 5 1.306 7.660 -4.188
39 HE3 LYS 5 HE1 LYS 5 0.800 6.672 -2.827
40 HZ1 LYS 5 HZ1 LYS 5 -0.022 8.929 -2.695
41 HZ2 LYS 5 HZ2 LYS 5 1.527 9.546 -2.678
42 HZ3 LYS 5 HZ3 LYS 5 0.975 8.569 -1.388
43 H SER 6 H SER 6 0.447 2.972 -3.860
44 HA SER 6 HA SER 6 0.100 1.148 -1.778
45 HB2 SER 6 HB2 SER 6 -1.641 1.684 -4.171
46 HB3 SER 6 HB1 SER 6 -2.147 0.934 -2.654
47 HG SER 6 HG SER 6 -1.561 2.779 -1.570
48 H TYR 7 H TYR 7 1.055 0.669 -5.091
49 HA TYR 7 HA TYR 7 0.286 -2.098 -5.174
50 HB2 TYR 7 HB2 TYR 7 0.539 -0.725 -7.238
51 HB3 TYR 7 HB1 TYR 7 2.270 -0.639 -6.937
52 HD1 TYR 7 HD1 TYR 7 3.688 -2.344 -7.726
53 HD2 TYR 7 HD2 TYR 7 -0.508 -3.003 -7.597
54 HE1 TYR 7 HE1 TYR 7 3.981 -4.443 -8.985
55 HE2 TYR 7 HE2 TYR 7 -0.229 -5.095 -8.845
56 HH TYR 7 HH TYR 7 2.844 -6.522 -9.367
57 H LYS 8 H LYS 8 3.134 -0.244 -4.447
58 HA LYS 8 HA LYS 8 4.878 -2.416 -4.089
59 HB2 LYS 8 HB2 LYS 8 4.930 0.381 -2.936
60 HB3 LYS 8 HB1 LYS 8 6.262 -0.764 -2.814
61 HG2 LYS 8 HG2 LYS 8 6.544 -0.793 -5.197
62 HG3 LYS 8 HG1 LYS 8 5.092 0.175 -5.425
63 HD2 LYS 8 HD2 LYS 8 7.134 1.509 -5.696
64 HD3 LYS 8 HD1 LYS 8 6.166 2.068 -4.335
65 HE2 LYS 8 HE2 LYS 8 7.633 0.971 -2.781
66 HE3 LYS 8 HE1 LYS 8 8.540 0.229 -4.100
67 HZ1 LYS 8 HZ1 LYS 8 8.343 3.164 -3.659
68 HZ2 LYS 8 HZ2 LYS 8 9.333 2.347 -4.767
69 HZ3 LYS 8 HZ3 LYS 8 9.611 2.192 -3.122
70 H ARG 9 H ARG 9 2.755 -0.620 -1.915
71 HA ARG 9 HA ARG 9 3.365 -2.074 0.436
72 HB2 ARG 9 HB2 ARG 9 0.771 -0.688 -0.281
73 HB3 ARG 9 HB1 ARG 9 1.223 -1.225 1.329
74 HG2 ARG 9 HG2 ARG 9 3.104 0.356 1.298
75 HG3 ARG 9 HG1 ARG 9 2.587 0.912 -0.296
76 HD2 ARG 9 HD2 ARG 9 1.740 2.449 1.326
77 HD3 ARG 9 HD1 ARG 9 0.387 1.508 0.715
78 HE ARG 9 HE ARG 9 1.500 0.364 3.073
79 HH11 ARG 9 HH11 ARG 9 -0.824 2.733 1.880
80 HH12 ARG 9 HH12 ARG 9 -1.567 2.987 3.396
81 HH21 ARG 9 HH21 ARG 9 0.411 0.642 5.151
82 HH22 ARG 9 HH22 ARG 9 -0.879 1.739 5.284
83 H LEU 10 H LEU 10 1.069 -2.588 -2.167
84 HA LEU 10 HA LEU 10 -0.348 -4.762 -1.127
85 HB2 LEU 10 HB2 LEU 10 -1.166 -3.631 -3.077
86 HB3 LEU 10 HB1 LEU 10 0.306 -3.968 -3.955
87 HG LEU 10 HG LEU 10 -0.271 -6.340 -4.054
88 HD11 LEU 10 HD11 LEU 10 -1.517 -6.587 -2.027
89 HD12 LEU 10 HD12 LEU 10 -2.488 -7.120 -3.394
90 HD13 LEU 10 HD13 LEU 10 -2.809 -5.552 -2.641
91 HD21 LEU 10 HD21 LEU 10 -2.462 -4.519 -5.023
92 HD22 LEU 10 HD22 LEU 10 -2.162 -6.161 -5.594
93 HD23 LEU 10 HD23 LEU 10 -0.959 -4.899 -5.868
94 H GLN 11 H GLN 11 2.564 -4.676 -3.120
95 HA GLN 11 HA GLN 11 2.953 -7.432 -3.298
96 HB2 GLN 11 HB2 GLN 11 4.960 -5.178 -3.330
97 HB3 GLN 11 HB1 GLN 11 5.357 -6.847 -3.722
98 HG2 GLN 11 HG2 GLN 11 3.872 -6.815 -5.608
99 HG3 GLN 11 HG1 GLN 11 3.299 -5.206 -5.173
100 HE21 GLN 11 1HE2 GLN 11 4.580 -3.464 -5.569
101 HE22 GLN 11 2HE2 GLN 11 5.972 -3.530 -6.602
102 H GLU 12 H GLU 12 4.318 -5.096 -0.961
103 HA GLU 12 HA GLU 12 5.561 -6.922 0.677
104 HB2 GLU 12 HB2 GLU 12 4.316 -4.265 1.224
105 HB3 GLU 12 HB1 GLU 12 5.146 -5.192 2.466
106 HG2 GLU 12 HG2 GLU 12 6.350 -4.313 -0.132
107 HG3 GLU 12 HG1 GLU 12 6.566 -3.500 1.414
108 H CYS 13 H CYS 13 2.198 -5.868 0.697
109 HA CYS 13 HA CYS 13 1.476 -7.144 3.096
110 HB2 CYS 13 HB2 CYS 13 0.124 -5.390 1.822
111 HB3 CYS 13 HB1 CYS 13 -0.363 -6.685 0.737
112 H GLN 14 H GLN 14 1.314 -8.230 -0.289
113 HA GLN 14 HA GLN 14 0.207 -10.751 0.299
114 HB2 GLN 14 HB2 GLN 14 1.790 -9.871 -2.118
115 HB3 GLN 14 HB1 GLN 14 0.938 -11.411 -1.984
116 HG2 GLN 14 HG2 GLN 14 -1.164 -10.178 -1.742
117 HG3 GLN 14 HG1 GLN 14 -0.276 -8.665 -1.935
118 HE21 GLN 14 1HE2 GLN 14 0.651 -8.202 -3.927
119 HE22 GLN 14 2HE2 GLN 14 0.133 -8.971 -5.383
120 H ARG 15 H ARG 15 3.653 -9.764 -0.208
121 HA ARG 15 HA ARG 15 4.496 -12.337 0.241
122 HB2 ARG 15 HB2 ARG 15 6.799 -11.481 0.456
123 HB3 ARG 15 HB1 ARG 15 5.876 -10.957 -0.943
124 HG2 ARG 15 HG2 ARG 15 7.220 -9.260 -0.228
125 HG3 ARG 15 HG1 ARG 15 5.545 -8.799 0.077
126 HD2 ARG 15 HD2 ARG 15 6.856 -8.097 1.993
127 HD3 ARG 15 HD1 ARG 15 5.874 -9.508 2.416
128 HE ARG 15 HE ARG 15 7.990 -10.810 1.976
129 HH11 ARG 15 HH11 ARG 15 8.238 -7.389 3.003
130 HH12 ARG 15 HH12 ARG 15 9.532 -7.711 4.054
131 HH21 ARG 15 HH21 ARG 15 9.784 -11.163 3.431
132 HH22 ARG 15 HH22 ARG 15 10.417 -9.853 4.318
133 H ARG 16 H ARG 16 3.497 -10.042 2.526
134 HA ARG 16 HA ARG 16 4.658 -11.464 4.749
135 HB2 ARG 16 HB2 ARG 16 2.380 -9.473 4.693
136 HB3 ARG 16 HB1 ARG 16 3.058 -10.157 6.157
137 HG2 ARG 16 HG2 ARG 16 5.216 -9.110 5.592
138 HG3 ARG 16 HG1 ARG 16 4.447 -8.349 4.196
139 HD2 ARG 16 HD2 ARG 16 4.493 -6.788 6.064
140 HD3 ARG 16 HD1 ARG 16 2.835 -7.262 5.698
141 HE ARG 16 HE ARG 16 4.063 -8.892 7.686
142 HH11 ARG 16 HH11 ARG 16 2.311 -5.868 7.209
143 HH12 ARG 16 HH12 ARG 16 1.703 -5.785 8.796
144 HH21 ARG 16 HH21 ARG 16 3.221 -8.790 9.886
145 HH22 ARG 16 HH22 ARG 16 2.215 -7.492 10.340
146 H CYS 17 H CYS 17 1.523 -11.281 3.219
147 HA CYS 17 HA CYS 17 0.136 -13.042 4.832
148 HB2 CYS 17 HB2 CYS 17 -0.163 -12.476 1.885
149 HB3 CYS 17 HB1 CYS 17 -1.271 -13.483 2.805
150 H GLN 18 H GLN 18 2.276 -13.751 2.155
151 HA GLN 18 HA GLN 18 1.568 -16.550 2.216
152 HB2 GLN 18 HB2 GLN 18 3.311 -16.852 0.481
153 HB3 GLN 18 HB1 GLN 18 2.136 -15.607 0.079
154 HG2 GLN 18 HG2 GLN 18 3.710 -13.926 0.879
155 HG3 GLN 18 HG1 GLN 18 4.866 -15.225 1.157
156 HE21 GLN 18 1HE2 GLN 18 2.736 -15.168 -1.627
157 HE22 GLN 18 2HE2 GLN 18 3.981 -14.925 -2.788
158 H SER 19 H SER 19 3.609 -14.667 4.026
159 HA SER 19 HA SER 19 5.368 -16.875 4.673
160 HB2 SER 19 HB2 SER 19 5.342 -14.022 5.670
161 HB3 SER 19 HB1 SER 19 6.610 -15.214 5.970
162 HG SER 19 HG SER 19 6.049 -13.743 3.689
163 H GLU 20 H GLU 20 2.994 -14.715 6.252
164 HA GLU 20 HA GLU 20 3.098 -16.205 8.696
165 HB2 GLU 20 HB2 GLU 20 1.253 -13.998 7.812
166 HB3 GLU 20 HB1 GLU 20 1.412 -14.615 9.452
167 HG2 GLU 20 HG2 GLU 20 3.770 -13.924 9.445
168 HG3 GLU 20 HG1 GLU 20 3.544 -13.265 7.841
169 H GLN 21 H GLN 21 1.115 -16.275 5.798
170 HA GLN 21 HA GLN 21 -0.645 -18.162 7.163
171 HB2 GLN 21 HB2 GLN 21 -1.438 -16.232 4.977
172 HB3 GLN 21 HB1 GLN 21 -2.486 -17.418 5.730
173 HG2 GLN 21 HG2 GLN 21 -1.268 -14.992 7.020
174 HG3 GLN 21 HG1 GLN 21 -2.958 -15.226 6.588
175 HE21 GLN 21 1HE2 GLN 21 -1.801 -14.611 9.159
176 HE22 GLN 21 2HE2 GLN 21 -2.273 -15.869 10.234
177 H GLN 22 H GLN 22 -1.768 -19.596 5.538
178 HA GLN 22 HA GLN 22 -0.456 -19.986 3.011
179 HB2 GLN 22 HB2 GLN 22 -0.031 -22.377 3.451
180 HB3 GLN 22 HB1 GLN 22 0.964 -21.347 4.461
181 HG2 GLN 22 HG2 GLN 22 -0.608 -21.725 6.327
182 HG3 GLN 22 HG1 GLN 22 -1.549 -22.795 5.290
183 HE21 GLN 22 1HE2 GLN 22 -0.686 -24.796 4.740
184 HE22 GLN 22 2HE2 GLN 22 0.624 -25.496 5.602
185 H GLY 23 H GLY 23 -1.596 -21.799 1.888
186 HA2 GLY 23 HA2 GLY 23 -3.525 -22.720 1.057
187 HA3 GLY 23 HA1 GLY 23 -4.025 -22.890 2.731
188 H GLN 24 H GLN 24 -6.012 -22.158 2.915
189 HA GLN 24 HA GLN 24 -7.090 -20.232 1.116
190 HB2 GLN 24 HB2 GLN 24 -8.409 -22.107 2.041
191 HB3 GLN 24 HB1 GLN 24 -8.282 -21.379 3.637
192 HG2 GLN 24 HG2 GLN 24 -10.452 -20.927 2.637
193 HG3 GLN 24 HG1 GLN 24 -9.534 -19.436 2.839
194 HE21 GLN 24 1HE2 GLN 24 -10.737 -18.420 1.282
195 HE22 GLN 24 2HE2 GLN 24 -10.533 -18.721 -0.405
196 H ARG 25 H ARG 25 -5.800 -20.211 4.385
197 HA ARG 25 HA ARG 25 -6.657 -17.678 5.167
198 HB2 ARG 25 HB2 ARG 25 -4.174 -19.234 5.800
199 HB3 ARG 25 HB1 ARG 25 -4.609 -17.732 6.604
200 HG2 ARG 25 HG2 ARG 25 -6.328 -20.169 6.522
201 HG3 ARG 25 HG1 ARG 25 -5.223 -19.801 7.839
202 HD2 ARG 25 HD2 ARG 25 -6.449 -17.566 8.012
203 HD3 ARG 25 HD1 ARG 25 -7.639 -18.242 6.906
204 HE ARG 25 HE ARG 25 -7.064 -19.730 9.313
205 HH11 ARG 25 HH11 ARG 25 -9.368 -17.701 7.512
206 HH12 ARG 25 HH12 ARG 25 -10.543 -17.734 8.743
207 HH21 ARG 25 HH21 ARG 25 -8.732 -19.814 10.947
208 HH22 ARG 25 HH22 ARG 25 -10.197 -18.967 10.722
209 H LEU 26 H LEU 26 -3.971 -18.703 3.178
210 HA LEU 26 HA LEU 26 -2.835 -16.120 2.952
211 HB2 LEU 26 HB2 LEU 26 -1.433 -17.881 2.432
212 HB3 LEU 26 HB1 LEU 26 -2.540 -18.612 1.274
213 HG LEU 26 HG LEU 26 -2.000 -16.834 -0.334
214 HD11 LEU 26 HD11 LEU 26 -1.702 -14.983 1.171
215 HD12 LEU 26 HD12 LEU 26 -0.220 -15.187 0.225
216 HD13 LEU 26 HD13 LEU 26 -0.295 -15.745 1.889
217 HD21 LEU 26 HD21 LEU 26 -0.525 -18.793 -0.263
218 HD22 LEU 26 HD22 LEU 26 0.490 -17.967 0.927
219 HD23 LEU 26 HD23 LEU 26 0.363 -17.331 -0.699
220 H GLN 27 H GLN 27 -5.171 -17.890 1.024
221 HA GLN 27 HA GLN 27 -5.546 -16.004 -0.998
222 HB2 GLN 27 HB2 GLN 27 -7.456 -18.000 0.204
223 HB3 GLN 27 HB1 GLN 27 -7.840 -17.040 -1.215
224 HG2 GLN 27 HG2 GLN 27 -5.498 -18.911 -0.998
225 HG3 GLN 27 HG1 GLN 27 -7.043 -19.326 -1.733
226 HE21 GLN 27 1HE2 GLN 27 -7.427 -16.715 -2.954
227 HE22 GLN 27 2HE2 GLN 27 -6.325 -16.619 -4.268
228 H GLU 28 H GLU 28 -7.269 -16.390 2.081
229 HA GLU 28 HA GLU 28 -8.975 -14.189 1.836
230 HB2 GLU 28 HB2 GLU 28 -7.762 -15.289 4.384
231 HB3 GLU 28 HB1 GLU 28 -9.177 -14.256 4.286
232 HG2 GLU 28 HG2 GLU 28 -10.329 -16.044 3.019
233 HG3 GLU 28 HG1 GLU 28 -8.924 -17.075 3.269
234 H CYS 29 H CYS 29 -5.739 -14.437 3.220
235 HA CYS 29 HA CYS 29 -5.572 -11.810 4.181
236 HB2 CYS 29 HB2 CYS 29 -4.102 -13.742 4.832
237 HB3 CYS 29 HB1 CYS 29 -3.270 -13.548 3.301
238 H GLN 30 H GLN 30 -4.152 -13.186 1.150
239 HA GLN 30 HA GLN 30 -3.217 -10.675 0.288
240 HB2 GLN 30 HB2 GLN 30 -3.012 -11.649 -2.005
241 HB3 GLN 30 HB1 GLN 30 -2.226 -12.585 -0.747
242 HG2 GLN 30 HG2 GLN 30 -3.884 -14.249 -0.825
243 HG3 GLN 30 HG1 GLN 30 -4.964 -13.230 -1.774
244 HE21 GLN 30 1HE2 GLN 30 -1.987 -15.088 -1.860
245 HE22 GLN 30 2HE2 GLN 30 -1.988 -15.269 -3.574
246 H GLN 31 H GLN 31 -6.302 -12.240 -0.179
247 HA GLN 31 HA GLN 31 -7.501 -10.629 -2.101
248 HB2 GLN 31 HB2 GLN 31 -8.561 -12.619 -1.285
249 HB3 GLN 31 HB1 GLN 31 -8.588 -11.995 0.348
250 HG2 GLN 31 HG2 GLN 31 -10.211 -10.289 -0.346
251 HG3 GLN 31 HG1 GLN 31 -10.210 -10.978 -1.972
252 HE21 GLN 31 1HE2 GLN 31 -12.344 -10.762 0.086
253 HE22 GLN 31 2HE2 GLN 31 -12.915 -12.383 0.271
254 H ARG 32 H ARG 32 -7.255 -10.240 1.380
255 HA ARG 32 HA ARG 32 -8.744 -7.832 1.483
256 HB2 ARG 32 HB2 ARG 32 -6.797 -8.980 3.486
257 HB3 ARG 32 HB1 ARG 32 -7.939 -7.672 3.799
258 HG2 ARG 32 HG2 ARG 32 -9.803 -9.139 3.428
259 HG3 ARG 32 HG1 ARG 32 -8.722 -10.441 2.942
260 HD2 ARG 32 HD2 ARG 32 -7.725 -10.343 5.221
261 HD3 ARG 32 HD1 ARG 32 -9.001 -9.201 5.658
262 HE ARG 32 HE ARG 32 -10.339 -11.284 4.588
263 HH11 ARG 32 HH11 ARG 32 -8.062 -10.951 7.281
264 HH12 ARG 32 HH12 ARG 32 -8.604 -12.338 8.106
265 HH21 ARG 32 HH21 ARG 32 -11.113 -13.188 5.756
266 HH22 ARG 32 HH22 ARG 32 -10.357 -13.638 7.207
267 H CYS 33 H CYS 33 -5.339 -8.598 1.173
268 HA CYS 33 HA CYS 33 -4.319 -5.988 1.421
269 HB2 CYS 33 HB2 CYS 33 -3.294 -8.237 -0.322
270 HB3 CYS 33 HB1 CYS 33 -2.398 -6.780 0.087
271 H GLN 34 H GLN 34 -5.753 -7.698 -1.300
272 HA GLN 34 HA GLN 34 -5.241 -5.743 -3.275
273 HB2 GLN 34 HB2 GLN 34 -7.407 -7.830 -3.077
274 HB3 GLN 34 HB1 GLN 34 -7.111 -6.850 -4.505
275 HG2 GLN 34 HG2 GLN 34 -4.892 -7.811 -4.731
276 HG3 GLN 34 HG1 GLN 34 -5.127 -8.738 -3.250
277 HE21 GLN 34 1HE2 GLN 34 -6.060 -8.380 -6.572
278 HE22 GLN 34 2HE2 GLN 34 -6.730 -9.958 -6.760
279 H GLN 35 H GLN 35 -7.789 -6.183 -0.956
280 HA GLN 35 HA GLN 35 -9.437 -4.097 -1.985
281 HB2 GLN 35 HB2 GLN 35 -9.451 -5.204 0.827
282 HB3 GLN 35 HB1 GLN 35 -10.767 -4.360 0.012
283 HG2 GLN 35 HG2 GLN 35 -9.657 -7.069 -0.663
284 HG3 GLN 35 HG1 GLN 35 -11.239 -6.682 0.017
285 HE21 GLN 35 1HE2 GLN 35 -10.241 -7.967 -2.513
286 HE22 GLN 35 2HE2 GLN 35 -11.133 -7.165 -3.760
287 H GLU 36 H GLU 36 -7.092 -4.353 0.617
288 HA GLU 36 HA GLU 36 -7.124 -1.754 1.572
289 HB2 GLU 36 HB2 GLU 36 -4.794 -3.640 1.202
290 HB3 GLU 36 HB1 GLU 36 -4.705 -2.148 2.117
291 HG2 GLU 36 HG2 GLU 36 -6.458 -4.521 2.747
292 HG3 GLU 36 HG1 GLU 36 -4.966 -4.085 3.576
293 H TYR 37 H TYR 37 -5.149 -3.138 -0.991
294 HA TYR 37 HA TYR 37 -3.879 -0.919 -2.010
295 HB2 TYR 37 HB2 TYR 37 -3.230 -3.048 -2.809
296 HB3 TYR 37 HB1 TYR 37 -4.868 -3.461 -3.286
297 HD1 TYR 37 HD1 TYR 37 -2.142 -1.053 -4.103
298 HD2 TYR 37 HD2 TYR 37 -5.479 -3.278 -5.491
299 HE1 TYR 37 HE1 TYR 37 -1.698 -0.274 -6.372
300 HE2 TYR 37 HE2 TYR 37 -5.048 -2.529 -7.778
301 HH TYR 37 HH TYR 37 -2.223 -1.043 -8.756
302 H GLN 38 H GLN 38 -7.063 -2.174 -2.996
303 HA GLN 38 HA GLN 38 -7.538 -0.120 -4.879
304 HB2 GLN 38 HB2 GLN 38 -9.497 -1.932 -3.456
305 HB3 GLN 38 HB1 GLN 38 -9.940 -0.842 -4.762
306 HG2 GLN 38 HG2 GLN 38 -8.423 -2.034 -6.270
307 HG3 GLN 38 HG1 GLN 38 -7.988 -3.127 -4.963
308 HE21 GLN 38 1HE2 GLN 38 -10.763 -3.252 -3.964
309 HE22 GLN 38 2HE2 GLN 38 -11.614 -4.240 -5.064
310 H ARG 39 H ARG 39 -8.343 -0.394 -1.459
311 HA ARG 39 HA ARG 39 -9.856 2.033 -1.475
312 HB2 ARG 39 HB2 ARG 39 -8.795 0.415 0.827
313 HB3 ARG 39 HB1 ARG 39 -9.818 1.831 1.008
314 HG2 ARG 39 HG2 ARG 39 -10.562 -0.767 -0.334
315 HG3 ARG 39 HG1 ARG 39 -11.117 -0.205 1.239
316 HD2 ARG 39 HD2 ARG 39 -11.704 1.079 -1.435
317 HD3 ARG 39 HD1 ARG 39 -12.823 0.138 -0.461
318 HE ARG 39 HE ARG 39 -11.882 2.282 1.079
319 HH11 ARG 39 HH11 ARG 39 -13.974 1.681 -1.704
320 HH12 ARG 39 HH12 ARG 39 -14.924 3.072 -1.503
321 HH21 ARG 39 HH21 ARG 39 -13.216 4.188 1.413
322 HH22 ARG 39 HH22 ARG 39 -14.484 4.549 0.332
323 H GLU 40 H GLU 40 -6.487 1.345 -1.181
324 HA GLU 40 HA GLU 40 -5.822 3.825 0.083
325 HB2 GLU 40 HB2 GLU 40 -4.233 1.941 -1.614
326 HB3 GLU 40 HB1 GLU 40 -3.577 3.444 -1.017
327 HG2 GLU 40 HG2 GLU 40 -4.041 2.610 1.291
328 HG3 GLU 40 HG1 GLU 40 -4.445 1.050 0.550
329 H LYS 41 H LYS 41 -6.323 2.740 -3.156
330 HA LYS 41 HA LYS 41 -5.412 5.248 -4.253
331 HB2 LYS 41 HB2 LYS 41 -6.850 2.971 -5.626
332 HB3 LYS 41 HB1 LYS 41 -6.041 4.310 -6.431
333 HG2 LYS 41 HG2 LYS 41 -3.902 3.512 -5.348
334 HG3 LYS 41 HG1 LYS 41 -4.791 2.072 -4.860
335 HD2 LYS 41 HD2 LYS 41 -4.357 3.037 -7.683
336 HD3 LYS 41 HD1 LYS 41 -3.560 1.665 -6.922
337 HE2 LYS 41 HE2 LYS 41 -5.699 0.516 -6.732
338 HE3 LYS 41 HE1 LYS 41 -6.523 1.914 -7.425
339 HZ1 LYS 41 HZ1 LYS 41 -4.507 0.216 -8.821
340 HZ2 LYS 41 HZ2 LYS 41 -5.247 1.590 -9.460
341 HZ3 LYS 41 HZ3 LYS 41 -6.181 0.236 -9.085
342 H GLY 42 H GLY 42 -8.425 3.524 -3.752
343 HA2 GLY 42 HA2 GLY 42 -10.333 4.640 -2.947
344 HA3 GLY 42 HA1 GLY 42 -9.830 6.087 -3.823
345 H GLN 43 H GLN 43 -10.814 6.447 -5.608
346 HA GLN 43 HA GLN 43 -12.477 4.401 -6.826
347 HB2 GLN 43 HB2 GLN 43 -13.291 6.314 -8.225
348 HB3 GLN 43 HB1 GLN 43 -13.470 6.576 -6.499
349 HG2 GLN 43 HG2 GLN 43 -11.556 8.002 -6.459
350 HG3 GLN 43 HG1 GLN 43 -11.218 7.669 -8.154
351 HE21 GLN 43 1HE2 GLN 43 -14.466 8.195 -6.955
352 HE22 GLN 43 2HE2 GLN 43 -14.677 9.730 -7.700
353 H HIS 44 H HIS 44 -12.405 4.411 -9.358
354 HA HIS 44 HA HIS 44 -9.584 4.179 -10.005
355 HB2 HIS 44 HB2 HIS 44 -10.263 2.827 -11.992
356 HB3 HIS 44 HB1 HIS 44 -10.741 2.116 -10.468
357 HD1 HIS 44 HD1 HIS 44 -12.985 1.053 -10.673
358 HD2 HIS 44 HD2 HIS 44 -12.635 4.399 -13.110
359 HE1 HIS 44 HE1 HIS 44 -15.139 1.205 -11.968
360 H GLN 45 H GLN 45 -11.987 6.313 -10.352
361 HA GLN 45 HA GLN 45 -11.307 7.475 -12.863
362 HB2 GLN 45 HB2 GLN 45 -13.477 7.887 -11.759
363 HB3 GLN 45 HB1 GLN 45 -12.654 8.667 -10.419
364 HG2 GLN 45 HG2 GLN 45 -13.661 10.309 -11.885
365 HG3 GLN 45 HG1 GLN 45 -11.905 10.444 -11.919
366 HE21 GLN 45 1HE2 GLN 45 -14.739 9.517 -13.697
367 HE22 GLN 45 2HE2 GLN 45 -13.975 9.429 -15.242
368 H GLY 46 H GLY 46 -9.450 8.397 -13.265
369 HA2 GLY 46 HA2 GLY 46 -8.104 10.411 -12.245
370 HA3 GLY 46 HA1 GLY 46 -7.672 9.151 -11.084
371 H GLU 47 H GLU 47 -7.134 7.016 -12.250
372 HA GLU 47 HA GLU 47 -5.033 7.616 -14.164
373 HB2 GLU 47 HB2 GLU 47 -5.618 5.272 -12.406
374 HB3 GLU 47 HB1 GLU 47 -4.638 5.023 -13.842
375 HG2 GLU 47 HG2 GLU 47 -3.305 5.426 -11.804
376 HG3 GLU 47 HG1 GLU 47 -3.001 6.589 -13.083
377 H THR 48 H THR 48 -7.995 7.474 -14.584
378 HA THR 48 HA THR 48 -8.603 5.596 -16.543
379 HB THR 48 HB THR 48 -10.176 7.704 -17.065
380 HG1 THR 48 HG1 THR 48 -10.394 8.949 -15.188
381 HG21 THR 48 HG21 THR 48 -10.961 5.554 -16.171
382 HG22 THR 48 HG22 THR 48 -11.698 6.897 -15.296
383 HG23 THR 48 HG23 THR 48 -10.367 6.001 -14.571
384 H ASN 49 H ASN 49 -6.676 8.412 -16.435
385 HA ASN 49 HA ASN 49 -6.282 8.375 -19.328
386 HB2 ASN 49 HB2 ASN 49 -7.456 10.446 -18.462
387 HB3 ASN 49 HB1 ASN 49 -6.032 10.767 -17.480
388 HD21 ASN 49 HD21 ASN 49 -7.342 10.670 -20.677
389 HD22 ASN 49 HD22 ASN 49 -6.100 11.573 -21.440
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 10.262 -1.329 -13.917
2 H2 ARG 1 HT2 ARG 1 9.173 -1.042 -15.178
3 H3 ARG 1 HT3 ARG 1 8.642 -1.670 -13.698
4 HA ARG 1 HA ARG 1 9.831 0.988 -14.051
5 HB2 ARG 1 HB2 ARG 1 6.986 0.108 -13.584
6 HB3 ARG 1 HB1 ARG 1 7.544 1.736 -13.280
7 HG2 ARG 1 HG2 ARG 1 8.086 1.980 -15.656
8 HG3 ARG 1 HG1 ARG 1 7.498 0.334 -15.944
9 HD2 ARG 1 HD2 ARG 1 5.302 0.930 -15.181
10 HD3 ARG 1 HD1 ARG 1 5.854 2.530 -14.704
11 HE ARG 1 HE ARG 1 6.403 2.340 -17.363
12 HH11 ARG 1 HH11 ARG 1 3.470 1.959 -15.393
13 HH12 ARG 1 HH12 ARG 1 2.431 2.631 -16.558
14 HH21 ARG 1 HH21 ARG 1 4.930 3.296 -18.966
15 HH22 ARG 1 HH22 ARG 1 3.267 3.389 -18.607
16 H GLY 2 H GLY 2 9.408 2.295 -12.071
17 HA2 GLY 2 HA2 GLY 2 9.698 0.645 -9.679
18 HA3 GLY 2 HA1 GLY 2 10.143 2.349 -9.845
19 HA PRO 3 HA PRO 3 5.374 1.914 -9.430
20 HB2 PRO 3 HB2 PRO 3 4.549 0.093 -7.634
21 HB3 PRO 3 HB1 PRO 3 4.814 -0.299 -9.335
22 HG2 PRO 3 HG2 PRO 3 6.573 -0.807 -6.980
23 HG3 PRO 3 HG1 PRO 3 6.223 -1.854 -8.366
24 HD2 PRO 3 HD2 PRO 3 8.499 -0.349 -8.127
25 HD3 PRO 3 HD1 PRO 3 7.803 -0.844 -9.681
26 H ASP 4 H ASP 4 3.950 2.645 -7.829
27 HA ASP 4 HA ASP 4 5.109 4.540 -6.092
28 HB2 ASP 4 HB2 ASP 4 3.062 5.026 -7.249
29 HB3 ASP 4 HB1 ASP 4 2.266 3.649 -6.476
30 H LYS 5 H LYS 5 4.362 4.868 -3.974
31 HA LYS 5 HA LYS 5 5.375 2.979 -2.150
32 HB2 LYS 5 HB2 LYS 5 3.532 5.300 -1.571
33 HB3 LYS 5 HB1 LYS 5 4.560 4.489 -0.405
34 HG2 LYS 5 HG2 LYS 5 5.517 6.068 -2.793
35 HG3 LYS 5 HG1 LYS 5 5.481 6.650 -1.131
36 HD2 LYS 5 HD2 LYS 5 7.079 4.266 -2.094
37 HD3 LYS 5 HD1 LYS 5 7.727 5.890 -1.885
38 HE2 LYS 5 HE2 LYS 5 7.200 5.811 0.492
39 HE3 LYS 5 HE1 LYS 5 6.495 4.208 0.299
40 HZ1 LYS 5 HZ1 LYS 5 8.664 3.375 -0.358
41 HZ2 LYS 5 HZ2 LYS 5 8.732 4.096 1.155
42 HZ3 LYS 5 HZ3 LYS 5 9.337 4.919 -0.181
43 H SER 6 H SER 6 2.056 3.733 -3.142
44 HA SER 6 HA SER 6 0.753 2.185 -1.180
45 HB2 SER 6 HB2 SER 6 -0.274 2.721 -3.964
46 HB3 SER 6 HB1 SER 6 -1.210 2.520 -2.484
47 HG SER 6 HG SER 6 0.472 4.663 -3.225
48 H TYR 7 H TYR 7 2.094 1.454 -4.340
49 HA TYR 7 HA TYR 7 0.981 -1.190 -4.466
50 HB2 TYR 7 HB2 TYR 7 1.599 0.246 -6.471
51 HB3 TYR 7 HB1 TYR 7 3.275 -0.094 -6.073
52 HD1 TYR 7 HD1 TYR 7 4.272 -2.176 -6.655
53 HD2 TYR 7 HD2 TYR 7 0.097 -1.613 -7.138
54 HE1 TYR 7 HE1 TYR 7 4.146 -4.252 -7.967
55 HE2 TYR 7 HE2 TYR 7 -0.048 -3.682 -8.436
56 HH TYR 7 HH TYR 7 1.348 -5.075 -9.743
57 H LYS 8 H LYS 8 3.964 0.315 -3.468
58 HA LYS 8 HA LYS 8 5.425 -2.021 -3.003
59 HB2 LYS 8 HB2 LYS 8 5.505 0.657 -1.597
60 HB3 LYS 8 HB1 LYS 8 6.647 -0.632 -1.261
61 HG2 LYS 8 HG2 LYS 8 6.274 0.621 -3.976
62 HG3 LYS 8 HG1 LYS 8 7.487 1.138 -2.804
63 HD2 LYS 8 HD2 LYS 8 8.453 -1.133 -2.834
64 HD3 LYS 8 HD1 LYS 8 7.259 -1.614 -4.038
65 HE2 LYS 8 HE2 LYS 8 8.151 -0.015 -5.617
66 HE3 LYS 8 HE1 LYS 8 9.257 0.607 -4.397
67 HZ1 LYS 8 HZ1 LYS 8 10.292 -0.932 -5.988
68 HZ2 LYS 8 HZ2 LYS 8 9.358 -2.204 -5.399
69 HZ3 LYS 8 HZ3 LYS 8 10.453 -1.396 -4.396
70 H ARG 9 H ARG 9 3.235 -0.144 -0.925
71 HA ARG 9 HA ARG 9 3.207 -1.699 1.378
72 HB2 ARG 9 HB2 ARG 9 0.894 -0.249 0.074
73 HB3 ARG 9 HB1 ARG 9 0.827 -0.937 1.682
74 HG2 ARG 9 HG2 ARG 9 2.523 0.608 2.445
75 HG3 ARG 9 HG1 ARG 9 2.711 1.238 0.806
76 HD2 ARG 9 HD2 ARG 9 1.316 2.729 2.128
77 HD3 ARG 9 HD1 ARG 9 0.378 1.995 0.832
78 HE ARG 9 HE ARG 9 0.209 0.588 3.320
79 HH11 ARG 9 HH11 ARG 9 -1.194 3.304 1.482
80 HH12 ARG 9 HH12 ARG 9 -2.678 3.292 2.335
81 HH21 ARG 9 HH21 ARG 9 -1.901 0.599 4.455
82 HH22 ARG 9 HH22 ARG 9 -3.080 1.746 3.992
83 H LEU 10 H LEU 10 1.354 -2.089 -1.588
84 HA LEU 10 HA LEU 10 -0.192 -4.293 -0.835
85 HB2 LEU 10 HB2 LEU 10 -0.716 -3.087 -2.828
86 HB3 LEU 10 HB1 LEU 10 0.832 -3.475 -3.553
87 HG LEU 10 HG LEU 10 0.139 -5.856 -3.597
88 HD11 LEU 10 HD11 LEU 10 -2.197 -6.421 -3.230
89 HD12 LEU 10 HD12 LEU 10 -2.515 -4.772 -2.687
90 HD13 LEU 10 HD13 LEU 10 -1.421 -5.812 -1.771
91 HD21 LEU 10 HD21 LEU 10 -1.446 -5.621 -5.433
92 HD22 LEU 10 HD22 LEU 10 -0.129 -4.454 -5.563
93 HD23 LEU 10 HD23 LEU 10 -1.716 -3.936 -4.990
94 H GLN 11 H GLN 11 2.930 -4.175 -2.464
95 HA GLN 11 HA GLN 11 3.268 -6.946 -2.708
96 HB2 GLN 11 HB2 GLN 11 5.333 -4.759 -2.556
97 HB3 GLN 11 HB1 GLN 11 5.673 -6.421 -3.024
98 HG2 GLN 11 HG2 GLN 11 4.182 -6.212 -4.927
99 HG3 GLN 11 HG1 GLN 11 3.783 -4.568 -4.443
100 HE21 GLN 11 1HE2 GLN 11 5.237 -2.967 -4.759
101 HE22 GLN 11 2HE2 GLN 11 6.639 -3.157 -5.772
102 H GLU 12 H GLU 12 4.408 -4.691 -0.224
103 HA GLU 12 HA GLU 12 5.678 -6.483 1.481
104 HB2 GLU 12 HB2 GLU 12 3.982 -4.080 2.182
105 HB3 GLU 12 HB1 GLU 12 5.046 -4.910 3.304
106 HG2 GLU 12 HG2 GLU 12 5.924 -3.523 0.784
107 HG3 GLU 12 HG1 GLU 12 6.009 -2.837 2.403
108 H CYS 13 H CYS 13 2.290 -5.530 1.348
109 HA CYS 13 HA CYS 13 1.279 -6.992 3.493
110 HB2 CYS 13 HB2 CYS 13 0.097 -5.179 2.211
111 HB3 CYS 13 HB1 CYS 13 -0.163 -6.334 0.914
112 H GLN 14 H GLN 14 1.292 -7.822 0.049
113 HA GLN 14 HA GLN 14 0.140 -10.356 0.383
114 HB2 GLN 14 HB2 GLN 14 1.629 -9.112 -1.923
115 HB3 GLN 14 HB1 GLN 14 0.898 -10.712 -2.015
116 HG2 GLN 14 HG2 GLN 14 -1.292 -9.790 -1.573
117 HG3 GLN 14 HG1 GLN 14 -0.601 -8.198 -1.315
118 HE21 GLN 14 1HE2 GLN 14 1.174 -8.251 -3.602
119 HE22 GLN 14 2HE2 GLN 14 0.184 -8.162 -4.997
120 H ARG 15 H ARG 15 3.548 -9.381 0.122
121 HA ARG 15 HA ARG 15 4.507 -12.025 0.056
122 HB2 ARG 15 HB2 ARG 15 5.910 -9.480 0.891
123 HB3 ARG 15 HB1 ARG 15 6.720 -11.016 0.638
124 HG2 ARG 15 HG2 ARG 15 5.257 -9.392 -1.405
125 HG3 ARG 15 HG1 ARG 15 6.998 -9.598 -1.263
126 HD2 ARG 15 HD2 ARG 15 6.696 -12.026 -1.689
127 HD3 ARG 15 HD1 ARG 15 4.968 -11.741 -1.909
128 HE ARG 15 HE ARG 15 6.662 -10.115 -3.519
129 HH11 ARG 15 HH11 ARG 15 4.791 -13.150 -3.388
130 HH12 ARG 15 HH12 ARG 15 4.868 -13.425 -5.063
131 HH21 ARG 15 HH21 ARG 15 6.739 -10.516 -5.844
132 HH22 ARG 15 HH22 ARG 15 6.005 -11.908 -6.493
133 H ARG 16 H ARG 16 3.758 -9.865 2.731
134 HA ARG 16 HA ARG 16 4.816 -11.616 4.711
135 HB2 ARG 16 HB2 ARG 16 2.745 -9.439 4.898
136 HB3 ARG 16 HB1 ARG 16 3.324 -10.337 6.294
137 HG2 ARG 16 HG2 ARG 16 5.548 -9.547 5.915
138 HG3 ARG 16 HG1 ARG 16 5.037 -8.695 4.459
139 HD2 ARG 16 HD2 ARG 16 5.197 -7.150 6.345
140 HD3 ARG 16 HD1 ARG 16 3.539 -7.306 5.771
141 HE ARG 16 HE ARG 16 4.402 -8.920 8.043
142 HH11 ARG 16 HH11 ARG 16 2.353 -6.318 6.748
143 HH12 ARG 16 HH12 ARG 16 1.558 -6.018 8.219
144 HH21 ARG 16 HH21 ARG 16 3.235 -8.467 10.110
145 HH22 ARG 16 HH22 ARG 16 2.058 -7.227 10.127
146 H CYS 17 H CYS 17 1.669 -11.183 3.327
147 HA CYS 17 HA CYS 17 0.261 -13.022 4.862
148 HB2 CYS 17 HB2 CYS 17 -0.118 -12.221 1.991
149 HB3 CYS 17 HB1 CYS 17 -1.222 -13.294 2.832
150 H GLN 18 H GLN 18 2.289 -13.605 2.033
151 HA GLN 18 HA GLN 18 1.486 -16.386 1.982
152 HB2 GLN 18 HB2 GLN 18 3.076 -16.646 0.111
153 HB3 GLN 18 HB1 GLN 18 1.932 -15.332 -0.139
154 HG2 GLN 18 HG2 GLN 18 3.598 -13.744 0.540
155 HG3 GLN 18 HG1 GLN 18 4.733 -15.075 0.802
156 HE21 GLN 18 1HE2 GLN 18 5.689 -16.030 -0.938
157 HE22 GLN 18 2HE2 GLN 18 5.577 -15.455 -2.546
158 H SER 19 H SER 19 3.732 -14.654 3.708
159 HA SER 19 HA SER 19 5.488 -16.917 4.103
160 HB2 SER 19 HB2 SER 19 5.463 -14.194 5.434
161 HB3 SER 19 HB1 SER 19 6.758 -15.388 5.536
162 HG SER 19 HG SER 19 5.928 -13.872 3.274
163 H GLU 20 H GLU 20 3.157 -14.964 5.984
164 HA GLU 20 HA GLU 20 3.394 -16.706 8.271
165 HB2 GLU 20 HB2 GLU 20 1.608 -14.337 7.792
166 HB3 GLU 20 HB1 GLU 20 1.873 -15.142 9.331
167 HG2 GLU 20 HG2 GLU 20 4.279 -14.549 9.134
168 HG3 GLU 20 HG1 GLU 20 3.873 -13.623 7.703
169 H GLN 21 H GLN 21 1.220 -16.372 5.572
170 HA GLN 21 HA GLN 21 -0.680 -18.145 6.933
171 HB2 GLN 21 HB2 GLN 21 -1.216 -16.031 4.840
172 HB3 GLN 21 HB1 GLN 21 -2.418 -17.140 5.478
173 HG2 GLN 21 HG2 GLN 21 -0.896 -15.205 7.207
174 HG3 GLN 21 HG1 GLN 21 -2.441 -14.819 6.457
175 HE21 GLN 21 1HE2 GLN 21 -0.845 -16.817 8.846
176 HE22 GLN 21 2HE2 GLN 21 -2.300 -17.218 9.665
177 H GLN 22 H GLN 22 -1.847 -19.568 5.479
178 HA GLN 22 HA GLN 22 -0.726 -20.099 2.875
179 HB2 GLN 22 HB2 GLN 22 -0.369 -22.501 3.436
180 HB3 GLN 22 HB1 GLN 22 0.755 -21.427 4.250
181 HG2 GLN 22 HG2 GLN 22 -0.662 -21.560 6.275
182 HG3 GLN 22 HG1 GLN 22 -1.684 -22.726 5.436
183 HE21 GLN 22 1HE2 GLN 22 -0.109 -22.973 7.865
184 HE22 GLN 22 2HE2 GLN 22 0.965 -24.292 7.604
185 H GLY 23 H GLY 23 -1.982 -22.003 1.942
186 HA2 GLY 23 HA2 GLY 23 -3.976 -22.883 1.265
187 HA3 GLY 23 HA1 GLY 23 -4.406 -22.908 2.967
188 H GLN 24 H GLN 24 -6.356 -22.097 3.156
189 HA GLN 24 HA GLN 24 -7.390 -20.140 1.351
190 HB2 GLN 24 HB2 GLN 24 -8.796 -21.891 2.443
191 HB3 GLN 24 HB1 GLN 24 -8.545 -21.069 3.981
192 HG2 GLN 24 HG2 GLN 24 -10.708 -20.476 3.048
193 HG3 GLN 24 HG1 GLN 24 -9.646 -19.069 3.086
194 HE21 GLN 24 1HE2 GLN 24 -10.742 -17.972 1.418
195 HE22 GLN 24 2HE2 GLN 24 -10.674 -18.525 -0.199
196 H ARG 25 H ARG 25 -5.871 -20.141 4.462
197 HA ARG 25 HA ARG 25 -6.698 -17.607 5.372
198 HB2 ARG 25 HB2 ARG 25 -4.061 -18.955 5.913
199 HB3 ARG 25 HB1 ARG 25 -4.843 -17.737 6.907
200 HG2 ARG 25 HG2 ARG 25 -5.891 -20.496 6.384
201 HG3 ARG 25 HG1 ARG 25 -5.026 -20.012 7.830
202 HD2 ARG 25 HD2 ARG 25 -6.864 -18.391 8.292
203 HD3 ARG 25 HD1 ARG 25 -7.710 -19.011 6.871
204 HE ARG 25 HE ARG 25 -6.940 -21.059 8.694
205 HH11 ARG 25 HH11 ARG 25 -9.491 -18.703 8.006
206 HH12 ARG 25 HH12 ARG 25 -10.704 -19.540 8.860
207 HH21 ARG 25 HH21 ARG 25 -8.615 -22.195 9.926
208 HH22 ARG 25 HH22 ARG 25 -10.187 -21.541 9.987
209 H LEU 26 H LEU 26 -3.951 -18.654 3.399
210 HA LEU 26 HA LEU 26 -2.843 -16.072 3.073
211 HB2 LEU 26 HB2 LEU 26 -1.415 -17.819 2.516
212 HB3 LEU 26 HB1 LEU 26 -2.571 -18.593 1.442
213 HG LEU 26 HG LEU 26 -2.170 -16.866 -0.251
214 HD11 LEU 26 HD11 LEU 26 -0.329 -15.632 1.784
215 HD12 LEU 26 HD12 LEU 26 -1.814 -14.938 1.132
216 HD13 LEU 26 HD13 LEU 26 -0.410 -15.168 0.086
217 HD21 LEU 26 HD21 LEU 26 -0.652 -18.780 -0.237
218 HD22 LEU 26 HD22 LEU 26 0.418 -17.915 0.876
219 HD23 LEU 26 HD23 LEU 26 0.185 -17.311 -0.749
220 H GLN 27 H GLN 27 -5.132 -17.905 1.145
221 HA GLN 27 HA GLN 27 -5.477 -16.039 -0.879
222 HB2 GLN 27 HB2 GLN 27 -7.410 -18.059 0.249
223 HB3 GLN 27 HB1 GLN 27 -7.734 -17.117 -1.202
224 HG2 GLN 27 HG2 GLN 27 -5.781 -18.069 -2.286
225 HG3 GLN 27 HG1 GLN 27 -5.390 -18.963 -0.822
226 HE21 GLN 27 1HE2 GLN 27 -6.521 -20.799 -0.336
227 HE22 GLN 27 2HE2 GLN 27 -7.608 -21.544 -1.445
228 H GLU 28 H GLU 28 -7.233 -16.283 2.212
229 HA GLU 28 HA GLU 28 -8.859 -14.044 1.783
230 HB2 GLU 28 HB2 GLU 28 -7.884 -15.332 4.311
231 HB3 GLU 28 HB1 GLU 28 -9.111 -14.072 4.245
232 HG2 GLU 28 HG2 GLU 28 -9.274 -16.762 2.940
233 HG3 GLU 28 HG1 GLU 28 -10.095 -16.291 4.423
234 H CYS 29 H CYS 29 -5.654 -14.360 3.233
235 HA CYS 29 HA CYS 29 -5.507 -11.718 4.218
236 HB2 CYS 29 HB2 CYS 29 -4.064 -13.695 4.913
237 HB3 CYS 29 HB1 CYS 29 -3.174 -13.472 3.420
238 H GLN 30 H GLN 30 -4.235 -13.219 1.222
239 HA GLN 30 HA GLN 30 -3.230 -10.757 0.229
240 HB2 GLN 30 HB2 GLN 30 -2.980 -11.881 -1.937
241 HB3 GLN 30 HB1 GLN 30 -2.337 -12.846 -0.620
242 HG2 GLN 30 HG2 GLN 30 -4.314 -14.239 -0.650
243 HG3 GLN 30 HG1 GLN 30 -5.013 -13.259 -1.932
244 HE21 GLN 30 1HE2 GLN 30 -1.627 -14.051 -1.841
245 HE22 GLN 30 2HE2 GLN 30 -1.651 -15.140 -3.167
246 H GLN 31 H GLN 31 -6.359 -12.280 0.055
247 HA GLN 31 HA GLN 31 -7.560 -10.708 -1.925
248 HB2 GLN 31 HB2 GLN 31 -8.616 -12.697 -0.846
249 HB3 GLN 31 HB1 GLN 31 -8.808 -11.762 0.624
250 HG2 GLN 31 HG2 GLN 31 -10.902 -11.866 -0.563
251 HG3 GLN 31 HG1 GLN 31 -10.292 -10.212 -0.568
252 HE21 GLN 31 1HE2 GLN 31 -10.842 -13.052 -2.473
253 HE22 GLN 31 2HE2 GLN 31 -10.715 -12.308 -4.008
254 H ARG 32 H ARG 32 -7.241 -10.238 1.587
255 HA ARG 32 HA ARG 32 -8.453 -7.731 1.790
256 HB2 ARG 32 HB2 ARG 32 -6.182 -8.907 3.354
257 HB3 ARG 32 HB1 ARG 32 -6.802 -7.303 3.675
258 HG2 ARG 32 HG2 ARG 32 -9.046 -8.407 4.023
259 HG3 ARG 32 HG1 ARG 32 -8.165 -9.943 4.020
260 HD2 ARG 32 HD2 ARG 32 -8.428 -9.110 6.306
261 HD3 ARG 32 HD1 ARG 32 -6.730 -9.123 5.828
262 HE ARG 32 HE ARG 32 -7.362 -6.616 5.241
263 HH11 ARG 32 HH11 ARG 32 -7.991 -8.484 8.180
264 HH12 ARG 32 HH12 ARG 32 -8.150 -7.121 9.183
265 HH21 ARG 32 HH21 ARG 32 -7.598 -4.748 6.595
266 HH22 ARG 32 HH22 ARG 32 -7.932 -4.935 8.259
267 H CYS 33 H CYS 33 -5.056 -8.539 1.275
268 HA CYS 33 HA CYS 33 -4.045 -5.985 1.076
269 HB2 CYS 33 HB2 CYS 33 -3.170 -8.402 -0.516
270 HB3 CYS 33 HB1 CYS 33 -2.222 -6.945 -0.251
271 H GLN 34 H GLN 34 -5.442 -7.995 -1.518
272 HA GLN 34 HA GLN 34 -5.175 -6.144 -3.598
273 HB2 GLN 34 HB2 GLN 34 -7.057 -8.421 -3.111
274 HB3 GLN 34 HB1 GLN 34 -7.270 -7.377 -4.503
275 HG2 GLN 34 HG2 GLN 34 -4.770 -8.937 -3.892
276 HG3 GLN 34 HG1 GLN 34 -6.038 -9.452 -5.010
277 HE21 GLN 34 1HE2 GLN 34 -3.310 -7.426 -4.546
278 HE22 GLN 34 2HE2 GLN 34 -3.283 -6.737 -6.128
279 H GLN 35 H GLN 35 -7.898 -6.655 -1.375
280 HA GLN 35 HA GLN 35 -9.603 -4.741 -2.595
281 HB2 GLN 35 HB2 GLN 35 -9.665 -5.730 0.261
282 HB3 GLN 35 HB1 GLN 35 -10.956 -4.870 -0.553
283 HG2 GLN 35 HG2 GLN 35 -9.957 -7.650 -1.110
284 HG3 GLN 35 HG1 GLN 35 -11.534 -7.171 -0.491
285 HE21 GLN 35 1HE2 GLN 35 -9.557 -7.550 -3.237
286 HE22 GLN 35 2HE2 GLN 35 -10.763 -7.246 -4.440
287 H GLU 36 H GLU 36 -7.604 -4.584 0.283
288 HA GLU 36 HA GLU 36 -8.272 -1.961 0.984
289 HB2 GLU 36 HB2 GLU 36 -6.049 -3.794 1.721
290 HB3 GLU 36 HB1 GLU 36 -6.240 -2.205 2.446
291 HG2 GLU 36 HG2 GLU 36 -8.499 -2.861 3.228
292 HG3 GLU 36 HG1 GLU 36 -8.329 -4.412 2.423
293 H TYR 37 H TYR 37 -5.564 -3.249 -0.755
294 HA TYR 37 HA TYR 37 -4.203 -0.869 -1.302
295 HB2 TYR 37 HB2 TYR 37 -3.122 -2.863 -1.982
296 HB3 TYR 37 HB1 TYR 37 -4.478 -3.355 -2.989
297 HD1 TYR 37 HD1 TYR 37 -1.867 -0.699 -2.705
298 HD2 TYR 37 HD2 TYR 37 -4.455 -2.892 -5.269
299 HE1 TYR 37 HE1 TYR 37 -0.844 0.376 -4.657
300 HE2 TYR 37 HE2 TYR 37 -3.429 -1.825 -7.224
301 HH TYR 37 HH TYR 37 -2.260 0.167 -7.726
302 H GLN 38 H GLN 38 -7.003 -2.215 -2.981
303 HA GLN 38 HA GLN 38 -7.047 -0.198 -4.982
304 HB2 GLN 38 HB2 GLN 38 -9.222 -2.049 -4.006
305 HB3 GLN 38 HB1 GLN 38 -9.366 -0.990 -5.406
306 HG2 GLN 38 HG2 GLN 38 -7.576 -2.131 -6.519
307 HG3 GLN 38 HG1 GLN 38 -7.277 -3.123 -5.096
308 HE21 GLN 38 1HE2 GLN 38 -8.664 -4.739 -4.624
309 HE22 GLN 38 2HE2 GLN 38 -9.797 -5.411 -5.751
310 H ARG 39 H ARG 39 -8.184 -0.358 -1.765
311 HA ARG 39 HA ARG 39 -9.953 1.890 -1.936
312 HB2 ARG 39 HB2 ARG 39 -8.674 0.609 0.489
313 HB3 ARG 39 HB1 ARG 39 -9.976 1.789 0.524
314 HG2 ARG 39 HG2 ARG 39 -11.466 0.232 -0.569
315 HG3 ARG 39 HG1 ARG 39 -10.158 -0.939 -0.730
316 HD2 ARG 39 HD2 ARG 39 -11.558 -1.540 1.141
317 HD3 ARG 39 HD1 ARG 39 -9.979 -1.036 1.732
318 HE ARG 39 HE ARG 39 -11.822 1.115 1.678
319 HH11 ARG 39 HH11 ARG 39 -11.014 -1.768 3.575
320 HH12 ARG 39 HH12 ARG 39 -11.556 -1.125 5.051
321 HH21 ARG 39 HH21 ARG 39 -12.641 1.961 3.671
322 HH22 ARG 39 HH22 ARG 39 -12.574 1.037 5.102
323 H GLU 40 H GLU 40 -6.574 1.376 -1.233
324 HA GLU 40 HA GLU 40 -6.272 4.262 -0.802
325 HB2 GLU 40 HB2 GLU 40 -4.630 1.996 0.300
326 HB3 GLU 40 HB1 GLU 40 -4.221 3.696 0.476
327 HG2 GLU 40 HG2 GLU 40 -6.377 4.041 1.627
328 HG3 GLU 40 HG1 GLU 40 -6.643 2.298 1.523
329 H LYS 41 H LYS 41 -6.231 2.912 -3.336
330 HA LYS 41 HA LYS 41 -3.583 2.460 -4.217
331 HB2 LYS 41 HB2 LYS 41 -4.521 2.493 -6.528
332 HB3 LYS 41 HB1 LYS 41 -5.377 1.426 -5.429
333 HG2 LYS 41 HG2 LYS 41 -7.131 3.125 -5.170
334 HG3 LYS 41 HG1 LYS 41 -6.271 4.167 -6.303
335 HD2 LYS 41 HD2 LYS 41 -6.519 2.443 -8.043
336 HD3 LYS 41 HD1 LYS 41 -7.404 1.433 -6.895
337 HE2 LYS 41 HE2 LYS 41 -9.099 3.182 -6.673
338 HE3 LYS 41 HE1 LYS 41 -8.226 4.179 -7.831
339 HZ1 LYS 41 HZ1 LYS 41 -8.598 2.436 -9.507
340 HZ2 LYS 41 HZ2 LYS 41 -10.040 3.039 -8.891
341 HZ3 LYS 41 HZ3 LYS 41 -9.480 1.544 -8.379
342 H GLY 42 H GLY 42 -5.632 5.333 -4.541
343 HA2 GLY 42 HA2 GLY 42 -3.174 6.812 -5.138
344 HA3 GLY 42 HA1 GLY 42 -4.617 7.048 -6.112
345 H GLN 43 H GLN 43 -3.814 6.889 -2.662
346 HA GLN 43 HA GLN 43 -5.866 8.816 -2.090
347 HB2 GLN 43 HB2 GLN 43 -3.764 7.636 -0.274
348 HB3 GLN 43 HB1 GLN 43 -5.082 8.676 0.240
349 HG2 GLN 43 HG2 GLN 43 -5.309 5.964 -0.993
350 HG3 GLN 43 HG1 GLN 43 -5.582 6.360 0.705
351 HE21 GLN 43 1HE2 GLN 43 -7.438 7.580 1.238
352 HE22 GLN 43 2HE2 GLN 43 -8.798 7.623 0.172
353 H HIS 44 H HIS 44 -5.508 10.814 -1.132
354 HA HIS 44 HA HIS 44 -3.309 12.164 -2.410
355 HB2 HIS 44 HB2 HIS 44 -5.767 13.185 -0.995
356 HB3 HIS 44 HB1 HIS 44 -4.507 14.239 -1.629
357 HD1 HIS 44 HD1 HIS 44 -4.574 14.742 -4.131
358 HD2 HIS 44 HD2 HIS 44 -7.230 11.757 -3.001
359 HE1 HIS 44 HE1 HIS 44 -6.000 14.275 -6.144
360 H GLN 45 H GLN 45 -2.977 10.496 0.119
361 HA GLN 45 HA GLN 45 -1.845 12.525 1.853
362 HB2 GLN 45 HB2 GLN 45 -1.873 9.507 2.084
363 HB3 GLN 45 HB1 GLN 45 -1.186 10.605 3.263
364 HG2 GLN 45 HG2 GLN 45 -4.076 10.341 2.501
365 HG3 GLN 45 HG1 GLN 45 -3.333 9.853 4.020
366 HE21 GLN 45 1HE2 GLN 45 -4.514 12.492 2.151
367 HE22 GLN 45 2HE2 GLN 45 -4.417 13.691 3.385
368 H GLY 46 H GLY 46 -0.981 10.018 -0.398
369 HA2 GLY 46 HA2 GLY 46 1.845 10.668 -0.128
370 HA3 GLY 46 HA1 GLY 46 1.170 9.300 -1.005
371 H GLU 47 H GLU 47 3.009 10.834 -2.238
372 HA GLU 47 HA GLU 47 1.685 12.846 -3.857
373 HB2 GLU 47 HB2 GLU 47 4.493 11.754 -3.865
374 HB3 GLU 47 HB1 GLU 47 3.939 13.046 -4.916
375 HG2 GLU 47 HG2 GLU 47 3.923 13.163 -1.913
376 HG3 GLU 47 HG1 GLU 47 5.211 13.809 -2.926
377 H THR 48 H THR 48 1.499 12.700 -6.132
378 HA THR 48 HA THR 48 1.419 9.968 -7.137
379 HB THR 48 HB THR 48 -0.689 11.158 -7.481
380 HG1 THR 48 HG1 THR 48 0.862 10.495 -9.676
381 HG21 THR 48 HG21 THR 48 -0.844 13.177 -8.884
382 HG22 THR 48 HG22 THR 48 0.917 13.230 -8.987
383 HG23 THR 48 HG23 THR 48 0.118 13.463 -7.433
384 H ASN 49 H ASN 49 3.419 12.558 -7.008
385 HA ASN 49 HA ASN 49 4.974 11.577 -9.272
386 HB2 ASN 49 HB2 ASN 49 4.758 14.478 -8.390
387 HB3 ASN 49 HB1 ASN 49 5.838 13.869 -9.629
388 HD21 ASN 49 HD21 ASN 49 2.653 14.811 -8.843
389 HD22 ASN 49 HD22 ASN 49 1.976 14.756 -10.423
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 9.534 -2.479 -11.473
2 H2 ARG 1 HT2 ARG 1 8.907 -1.913 -12.937
3 H3 ARG 1 HT3 ARG 1 8.438 -3.417 -12.352
4 HA ARG 1 HA ARG 1 6.732 -1.774 -11.997
5 HB2 ARG 1 HB2 ARG 1 8.151 -2.660 -9.488
6 HB3 ARG 1 HB1 ARG 1 6.545 -1.959 -9.509
7 HG2 ARG 1 HG2 ARG 1 5.723 -3.839 -10.796
8 HG3 ARG 1 HG1 ARG 1 7.349 -4.529 -10.847
9 HD2 ARG 1 HD2 ARG 1 7.376 -4.728 -8.441
10 HD3 ARG 1 HD1 ARG 1 5.800 -3.948 -8.336
11 HE ARG 1 HE ARG 1 5.386 -6.078 -9.965
12 HH11 ARG 1 HH11 ARG 1 6.626 -5.735 -6.628
13 HH12 ARG 1 HH12 ARG 1 6.101 -7.271 -6.151
14 HH21 ARG 1 HH21 ARG 1 4.722 -8.209 -9.257
15 HH22 ARG 1 HH22 ARG 1 5.039 -8.693 -7.652
16 H GLY 2 H GLY 2 6.226 0.315 -11.636
17 HA2 GLY 2 HA2 GLY 2 8.329 2.128 -10.782
18 HA3 GLY 2 HA1 GLY 2 6.763 2.588 -11.459
19 HA PRO 3 HA PRO 3 6.809 2.060 -6.641
20 HB2 PRO 3 HB2 PRO 3 7.533 4.850 -6.326
21 HB3 PRO 3 HB1 PRO 3 8.118 3.401 -5.487
22 HG2 PRO 3 HG2 PRO 3 9.723 4.584 -7.236
23 HG3 PRO 3 HG1 PRO 3 9.512 2.804 -7.173
24 HD2 PRO 3 HD2 PRO 3 8.167 4.739 -9.041
25 HD3 PRO 3 HD1 PRO 3 9.127 3.291 -9.446
26 H ASP 4 H ASP 4 4.863 1.953 -6.705
27 HA ASP 4 HA ASP 4 3.139 4.355 -6.414
28 HB2 ASP 4 HB2 ASP 4 2.407 1.483 -6.937
29 HB3 ASP 4 HB1 ASP 4 1.253 2.587 -6.203
30 H LYS 5 H LYS 5 2.368 4.875 -4.443
31 HA LYS 5 HA LYS 5 3.644 3.603 -2.239
32 HB2 LYS 5 HB2 LYS 5 2.307 5.159 -0.805
33 HB3 LYS 5 HB1 LYS 5 3.261 5.947 -2.046
34 HG2 LYS 5 HG2 LYS 5 1.259 6.223 -3.409
35 HG3 LYS 5 HG1 LYS 5 0.296 5.441 -2.148
36 HD2 LYS 5 HD2 LYS 5 0.987 7.198 -0.576
37 HD3 LYS 5 HD1 LYS 5 1.906 7.968 -1.866
38 HE2 LYS 5 HE2 LYS 5 -0.109 8.340 -3.130
39 HE3 LYS 5 HE1 LYS 5 -1.063 7.491 -1.912
40 HZ1 LYS 5 HZ1 LYS 5 -0.456 9.200 -0.316
41 HZ2 LYS 5 HZ2 LYS 5 -1.217 9.867 -1.645
42 HZ3 LYS 5 HZ3 LYS 5 0.452 10.009 -1.489
43 H SER 6 H SER 6 0.419 3.459 -3.546
44 HA SER 6 HA SER 6 -0.703 1.874 -1.502
45 HB2 SER 6 HB2 SER 6 -1.475 2.070 -4.410
46 HB3 SER 6 HB1 SER 6 -2.517 1.620 -3.055
47 HG SER 6 HG SER 6 -2.225 3.681 -2.196
48 H TYR 7 H TYR 7 1.193 1.218 -4.367
49 HA TYR 7 HA TYR 7 0.589 -1.598 -4.362
50 HB2 TYR 7 HB2 TYR 7 1.162 -0.187 -6.434
51 HB3 TYR 7 HB1 TYR 7 2.829 -0.297 -5.878
52 HD1 TYR 7 HD1 TYR 7 -0.023 -2.159 -7.189
53 HD2 TYR 7 HD2 TYR 7 4.046 -2.365 -6.051
54 HE1 TYR 7 HE1 TYR 7 0.151 -4.320 -8.311
55 HE2 TYR 7 HE2 TYR 7 4.243 -4.552 -7.196
56 HH TYR 7 HH TYR 7 1.863 -5.691 -9.308
57 H LYS 8 H LYS 8 3.083 0.530 -3.173
58 HA LYS 8 HA LYS 8 4.943 -1.362 -2.421
59 HB2 LYS 8 HB2 LYS 8 4.140 1.232 -1.103
60 HB3 LYS 8 HB1 LYS 8 5.457 0.266 -0.476
61 HG2 LYS 8 HG2 LYS 8 5.323 1.450 -3.248
62 HG3 LYS 8 HG1 LYS 8 6.207 2.139 -1.889
63 HD2 LYS 8 HD2 LYS 8 6.726 -0.548 -3.185
64 HD3 LYS 8 HD1 LYS 8 7.708 0.904 -3.360
65 HE2 LYS 8 HE2 LYS 8 8.132 0.860 -0.907
66 HE3 LYS 8 HE1 LYS 8 7.234 -0.649 -0.816
67 HZ1 LYS 8 HZ1 LYS 8 8.840 -1.686 -2.244
68 HZ2 LYS 8 HZ2 LYS 8 9.616 -0.997 -0.913
69 HZ3 LYS 8 HZ3 LYS 8 9.678 -0.230 -2.416
70 H ARG 9 H ARG 9 2.080 -0.145 -0.755
71 HA ARG 9 HA ARG 9 2.151 -1.696 1.573
72 HB2 ARG 9 HB2 ARG 9 -0.283 -0.872 -0.020
73 HB3 ARG 9 HB1 ARG 9 -0.318 -1.499 1.610
74 HG2 ARG 9 HG2 ARG 9 1.012 0.522 2.302
75 HG3 ARG 9 HG1 ARG 9 0.755 1.147 0.668
76 HD2 ARG 9 HD2 ARG 9 -0.946 1.996 2.250
77 HD3 ARG 9 HD1 ARG 9 -1.664 1.017 0.967
78 HE ARG 9 HE ARG 9 -0.982 -0.504 3.285
79 HH11 ARG 9 HH11 ARG 9 -3.603 1.561 1.996
80 HH12 ARG 9 HH12 ARG 9 -4.785 0.747 2.946
81 HH21 ARG 9 HH21 ARG 9 -2.628 -1.522 4.500
82 HH22 ARG 9 HH22 ARG 9 -4.246 -0.978 4.368
83 H LEU 10 H LEU 10 0.657 -2.324 -1.559
84 HA LEU 10 HA LEU 10 -0.470 -4.788 -0.969
85 HB2 LEU 10 HB2 LEU 10 -1.092 -3.468 -2.914
86 HB3 LEU 10 HB1 LEU 10 0.482 -3.760 -3.630
87 HG LEU 10 HG LEU 10 -0.019 -6.153 -3.752
88 HD11 LEU 10 HD11 LEU 10 -2.724 -5.356 -2.704
89 HD12 LEU 10 HD12 LEU 10 -1.507 -6.340 -1.886
90 HD13 LEU 10 HD13 LEU 10 -2.293 -6.948 -3.342
91 HD21 LEU 10 HD21 LEU 10 -1.680 -6.023 -5.542
92 HD22 LEU 10 HD22 LEU 10 -0.480 -4.732 -5.656
93 HD23 LEU 10 HD23 LEU 10 -2.093 -4.382 -5.032
94 H GLN 11 H GLN 11 2.645 -4.117 -2.523
95 HA GLN 11 HA GLN 11 3.531 -6.704 -2.998
96 HB2 GLN 11 HB2 GLN 11 5.144 -4.284 -2.192
97 HB3 GLN 11 HB1 GLN 11 5.862 -5.792 -2.733
98 HG2 GLN 11 HG2 GLN 11 4.767 -5.556 -4.882
99 HG3 GLN 11 HG1 GLN 11 3.993 -4.075 -4.330
100 HE21 GLN 11 1HE2 GLN 11 5.176 -2.215 -4.200
101 HE22 GLN 11 2HE2 GLN 11 6.760 -2.056 -4.871
102 H GLU 12 H GLU 12 4.209 -4.734 -0.109
103 HA GLU 12 HA GLU 12 5.502 -6.776 1.275
104 HB2 GLU 12 HB2 GLU 12 4.077 -4.322 2.280
105 HB3 GLU 12 HB1 GLU 12 5.100 -5.359 3.269
106 HG2 GLU 12 HG2 GLU 12 5.965 -3.819 0.841
107 HG3 GLU 12 HG1 GLU 12 6.303 -3.386 2.514
108 H CYS 13 H CYS 13 2.146 -5.671 1.331
109 HA CYS 13 HA CYS 13 1.272 -7.271 3.427
110 HB2 CYS 13 HB2 CYS 13 0.017 -5.349 2.392
111 HB3 CYS 13 HB1 CYS 13 -0.414 -6.430 1.074
112 H GLN 14 H GLN 14 1.197 -7.991 -0.078
113 HA GLN 14 HA GLN 14 -0.029 -10.521 0.209
114 HB2 GLN 14 HB2 GLN 14 1.818 -9.570 -1.970
115 HB3 GLN 14 HB1 GLN 14 0.847 -11.028 -2.034
116 HG2 GLN 14 HG2 GLN 14 -1.177 -9.660 -1.910
117 HG3 GLN 14 HG1 GLN 14 -0.169 -8.209 -1.895
118 HE21 GLN 14 1HE2 GLN 14 1.053 -7.715 -3.732
119 HE22 GLN 14 2HE2 GLN 14 0.649 -8.358 -5.276
120 H ARG 15 H ARG 15 3.358 -9.540 0.062
121 HA ARG 15 HA ARG 15 4.318 -12.189 0.095
122 HB2 ARG 15 HB2 ARG 15 5.700 -9.594 0.646
123 HB3 ARG 15 HB1 ARG 15 6.523 -11.157 0.644
124 HG2 ARG 15 HG2 ARG 15 5.650 -11.546 -1.642
125 HG3 ARG 15 HG1 ARG 15 5.034 -9.896 -1.629
126 HD2 ARG 15 HD2 ARG 15 7.854 -10.695 -1.208
127 HD3 ARG 15 HD1 ARG 15 7.198 -10.179 -2.765
128 HE ARG 15 HE ARG 15 7.103 -8.420 -0.416
129 HH11 ARG 15 HH11 ARG 15 8.128 -8.971 -3.772
130 HH12 ARG 15 HH12 ARG 15 8.747 -7.394 -3.953
131 HH21 ARG 15 HH21 ARG 15 7.942 -6.229 -0.742
132 HH22 ARG 15 HH22 ARG 15 8.623 -5.856 -2.259
133 H ARG 16 H ARG 16 3.631 -9.894 2.646
134 HA ARG 16 HA ARG 16 4.631 -11.433 4.773
135 HB2 ARG 16 HB2 ARG 16 2.266 -9.539 4.707
136 HB3 ARG 16 HB1 ARG 16 2.889 -10.263 6.178
137 HG2 ARG 16 HG2 ARG 16 4.417 -8.414 4.360
138 HG3 ARG 16 HG1 ARG 16 3.624 -7.950 5.864
139 HD2 ARG 16 HD2 ARG 16 5.872 -9.939 5.584
140 HD3 ARG 16 HD1 ARG 16 6.018 -8.287 6.176
141 HE ARG 16 HE ARG 16 4.255 -10.184 7.572
142 HH11 ARG 16 HH11 ARG 16 7.125 -8.114 7.598
143 HH12 ARG 16 HH12 ARG 16 7.428 -8.305 9.262
144 HH21 ARG 16 HH21 ARG 16 4.657 -10.468 9.829
145 HH22 ARG 16 HH22 ARG 16 5.980 -9.689 10.575
146 H CYS 17 H CYS 17 1.461 -11.339 3.268
147 HA CYS 17 HA CYS 17 0.237 -13.338 4.750
148 HB2 CYS 17 HB2 CYS 17 -0.116 -12.632 1.844
149 HB3 CYS 17 HB1 CYS 17 -1.179 -13.704 2.738
150 H GLN 18 H GLN 18 2.374 -13.590 1.975
151 HA GLN 18 HA GLN 18 2.019 -16.364 1.551
152 HB2 GLN 18 HB2 GLN 18 4.276 -14.551 0.731
153 HB3 GLN 18 HB1 GLN 18 4.058 -16.201 0.161
154 HG2 GLN 18 HG2 GLN 18 1.820 -15.506 -0.700
155 HG3 GLN 18 HG1 GLN 18 2.237 -13.868 -0.266
156 HE21 GLN 18 1HE2 GLN 18 3.678 -12.709 -1.456
157 HE22 GLN 18 2HE2 GLN 18 4.322 -13.240 -2.962
158 H SER 19 H SER 19 3.880 -14.667 3.868
159 HA SER 19 HA SER 19 5.442 -17.075 4.401
160 HB2 SER 19 HB2 SER 19 5.810 -14.260 5.436
161 HB3 SER 19 HB1 SER 19 6.900 -15.620 5.719
162 HG SER 19 HG SER 19 6.636 -15.606 3.176
163 H GLU 20 H GLU 20 3.173 -14.816 5.927
164 HA GLU 20 HA GLU 20 3.303 -16.227 8.428
165 HB2 GLU 20 HB2 GLU 20 1.563 -13.917 7.590
166 HB3 GLU 20 HB1 GLU 20 1.813 -14.493 9.234
167 HG2 GLU 20 HG2 GLU 20 4.217 -13.937 9.012
168 HG3 GLU 20 HG1 GLU 20 3.884 -13.290 7.422
169 H GLN 21 H GLN 21 1.240 -16.282 5.578
170 HA GLN 21 HA GLN 21 -0.651 -17.987 7.031
171 HB2 GLN 21 HB2 GLN 21 -1.236 -15.979 4.840
172 HB3 GLN 21 HB1 GLN 21 -2.409 -17.086 5.532
173 HG2 GLN 21 HG2 GLN 21 -0.943 -15.011 7.143
174 HG3 GLN 21 HG1 GLN 21 -2.504 -14.730 6.385
175 HE21 GLN 21 1HE2 GLN 21 -0.833 -16.475 8.886
176 HE22 GLN 21 2HE2 GLN 21 -2.248 -16.923 9.750
177 H GLN 22 H GLN 22 -1.782 -19.521 5.497
178 HA GLN 22 HA GLN 22 -0.705 -19.809 2.866
179 HB2 GLN 22 HB2 GLN 22 -0.071 -22.166 3.119
180 HB3 GLN 22 HB1 GLN 22 0.951 -21.115 4.073
181 HG2 GLN 22 HG2 GLN 22 -0.327 -21.752 6.081
182 HG3 GLN 22 HG1 GLN 22 -1.311 -22.829 5.089
183 HE21 GLN 22 1HE2 GLN 22 -0.665 -24.653 6.196
184 HE22 GLN 22 2HE2 GLN 22 0.917 -25.319 6.058
185 H GLY 23 H GLY 23 -1.799 -21.605 1.741
186 HA2 GLY 23 HA2 GLY 23 -3.740 -22.534 0.944
187 HA3 GLY 23 HA1 GLY 23 -4.093 -22.913 2.620
188 H GLN 24 H GLN 24 -6.022 -22.287 3.143
189 HA GLN 24 HA GLN 24 -7.558 -20.391 1.679
190 HB2 GLN 24 HB2 GLN 24 -8.033 -21.740 4.310
191 HB3 GLN 24 HB1 GLN 24 -9.193 -20.657 3.562
192 HG2 GLN 24 HG2 GLN 24 -8.181 -23.238 2.392
193 HG3 GLN 24 HG1 GLN 24 -9.760 -22.978 3.132
194 HE21 GLN 24 1HE2 GLN 24 -7.798 -22.447 0.367
195 HE22 GLN 24 2HE2 GLN 24 -9.029 -21.857 -0.675
196 H ARG 25 H ARG 25 -5.569 -20.215 4.474
197 HA ARG 25 HA ARG 25 -6.652 -17.727 5.344
198 HB2 ARG 25 HB2 ARG 25 -4.102 -19.120 6.077
199 HB3 ARG 25 HB1 ARG 25 -4.668 -17.628 6.826
200 HG2 ARG 25 HG2 ARG 25 -6.791 -18.862 7.383
201 HG3 ARG 25 HG1 ARG 25 -5.950 -20.333 6.898
202 HD2 ARG 25 HD2 ARG 25 -4.250 -19.928 8.559
203 HD3 ARG 25 HD1 ARG 25 -5.047 -18.401 8.977
204 HE ARG 25 HE ARG 25 -6.542 -20.885 9.200
205 HH11 ARG 25 HH11 ARG 25 -4.976 -18.135 10.857
206 HH12 ARG 25 HH12 ARG 25 -5.706 -18.445 12.343
207 HH21 ARG 25 HH21 ARG 25 -7.548 -21.278 11.267
208 HH22 ARG 25 HH22 ARG 25 -7.176 -20.279 12.592
209 H LEU 26 H LEU 26 -4.130 -18.758 3.232
210 HA LEU 26 HA LEU 26 -2.951 -16.200 2.886
211 HB2 LEU 26 HB2 LEU 26 -1.684 -18.087 2.297
212 HB3 LEU 26 HB1 LEU 26 -2.907 -18.692 1.189
213 HG LEU 26 HG LEU 26 -2.411 -16.785 -0.315
214 HD11 LEU 26 HD11 LEU 26 -0.273 -16.157 1.711
215 HD12 LEU 26 HD12 LEU 26 -1.671 -15.170 1.282
216 HD13 LEU 26 HD13 LEU 26 -0.394 -15.443 0.098
217 HD21 LEU 26 HD21 LEU 26 -0.219 -17.567 -1.061
218 HD22 LEU 26 HD22 LEU 26 -1.280 -18.915 -0.648
219 HD23 LEU 26 HD23 LEU 26 -0.006 -18.419 0.468
220 H GLN 27 H GLN 27 -5.438 -18.015 1.170
221 HA GLN 27 HA GLN 27 -5.897 -16.327 -0.980
222 HB2 GLN 27 HB2 GLN 27 -8.017 -17.868 0.536
223 HB3 GLN 27 HB1 GLN 27 -8.158 -17.261 -1.105
224 HG2 GLN 27 HG2 GLN 27 -6.317 -19.431 -0.125
225 HG3 GLN 27 HG1 GLN 27 -7.733 -19.620 -1.155
226 HE21 GLN 27 1HE2 GLN 27 -7.578 -19.060 -3.336
227 HE22 GLN 27 2HE2 GLN 27 -6.070 -18.758 -4.093
228 H GLU 28 H GLU 28 -7.586 -16.308 2.143
229 HA GLU 28 HA GLU 28 -9.060 -13.971 1.704
230 HB2 GLU 28 HB2 GLU 28 -8.099 -15.224 4.278
231 HB3 GLU 28 HB1 GLU 28 -9.253 -13.902 4.196
232 HG2 GLU 28 HG2 GLU 28 -9.682 -16.587 2.909
233 HG3 GLU 28 HG1 GLU 28 -10.245 -16.168 4.524
234 H CYS 29 H CYS 29 -5.900 -14.469 3.268
235 HA CYS 29 HA CYS 29 -5.532 -11.896 4.250
236 HB2 CYS 29 HB2 CYS 29 -4.186 -13.915 4.866
237 HB3 CYS 29 HB1 CYS 29 -3.359 -13.776 3.325
238 H GLN 30 H GLN 30 -4.178 -13.262 1.208
239 HA GLN 30 HA GLN 30 -3.020 -10.780 0.486
240 HB2 GLN 30 HB2 GLN 30 -2.613 -11.746 -1.738
241 HB3 GLN 30 HB1 GLN 30 -2.109 -12.822 -0.447
242 HG2 GLN 30 HG2 GLN 30 -4.032 -14.204 -0.769
243 HG3 GLN 30 HG1 GLN 30 -4.710 -13.073 -1.942
244 HE21 GLN 30 1HE2 GLN 30 -1.323 -13.881 -1.826
245 HE22 GLN 30 2HE2 GLN 30 -1.290 -14.779 -3.293
246 H GLN 31 H GLN 31 -6.142 -12.180 -0.144
247 HA GLN 31 HA GLN 31 -6.906 -10.413 -2.194
248 HB2 GLN 31 HB2 GLN 31 -7.994 -12.552 -1.680
249 HB3 GLN 31 HB1 GLN 31 -8.616 -11.865 -0.192
250 HG2 GLN 31 HG2 GLN 31 -9.910 -10.251 -1.474
251 HG3 GLN 31 HG1 GLN 31 -9.276 -10.936 -2.971
252 HE21 GLN 31 1HE2 GLN 31 -9.352 -13.661 -1.904
253 HE22 GLN 31 2HE2 GLN 31 -10.998 -14.137 -1.914
254 H ARG 32 H ARG 32 -7.105 -10.272 1.315
255 HA ARG 32 HA ARG 32 -8.613 -7.894 1.528
256 HB2 ARG 32 HB2 ARG 32 -6.536 -9.048 3.400
257 HB3 ARG 32 HB1 ARG 32 -7.580 -7.696 3.802
258 HG2 ARG 32 HG2 ARG 32 -9.538 -9.132 3.603
259 HG3 ARG 32 HG1 ARG 32 -8.507 -10.476 3.126
260 HD2 ARG 32 HD2 ARG 32 -7.365 -10.372 5.272
261 HD3 ARG 32 HD1 ARG 32 -8.391 -9.024 5.762
262 HE ARG 32 HE ARG 32 -10.119 -10.996 5.069
263 HH11 ARG 32 HH11 ARG 32 -7.437 -10.811 7.363
264 HH12 ARG 32 HH12 ARG 32 -8.136 -11.845 8.515
265 HH21 ARG 32 HH21 ARG 32 -11.078 -12.488 6.645
266 HH22 ARG 32 HH22 ARG 32 -10.221 -12.861 8.074
267 H CYS 33 H CYS 33 -5.197 -8.521 1.121
268 HA CYS 33 HA CYS 33 -4.250 -5.877 1.398
269 HB2 CYS 33 HB2 CYS 33 -3.151 -8.069 -0.375
270 HB3 CYS 33 HB1 CYS 33 -2.275 -6.660 0.209
271 H GLN 34 H GLN 34 -5.406 -7.760 -1.357
272 HA GLN 34 HA GLN 34 -4.979 -5.831 -3.358
273 HB2 GLN 34 HB2 GLN 34 -7.025 -8.041 -3.228
274 HB3 GLN 34 HB1 GLN 34 -6.590 -7.153 -4.678
275 HG2 GLN 34 HG2 GLN 34 -4.320 -8.037 -4.548
276 HG3 GLN 34 HG1 GLN 34 -4.726 -8.872 -3.050
277 HE21 GLN 34 1HE2 GLN 34 -5.027 -8.869 -6.491
278 HE22 GLN 34 2HE2 GLN 34 -5.711 -10.440 -6.623
279 H GLN 35 H GLN 35 -7.668 -6.471 -1.209
280 HA GLN 35 HA GLN 35 -9.538 -4.670 -2.256
281 HB2 GLN 35 HB2 GLN 35 -9.099 -5.350 0.657
282 HB3 GLN 35 HB1 GLN 35 -10.505 -4.518 0.025
283 HG2 GLN 35 HG2 GLN 35 -9.680 -7.366 -0.507
284 HG3 GLN 35 HG1 GLN 35 -11.043 -6.816 0.460
285 HE21 GLN 35 1HE2 GLN 35 -9.884 -7.543 -2.664
286 HE22 GLN 35 2HE2 GLN 35 -11.360 -7.260 -3.517
287 H GLU 36 H GLU 36 -7.094 -4.081 0.288
288 HA GLU 36 HA GLU 36 -7.584 -1.357 0.659
289 HB2 GLU 36 HB2 GLU 36 -5.184 -3.078 1.097
290 HB3 GLU 36 HB1 GLU 36 -5.039 -1.338 1.273
291 HG2 GLU 36 HG2 GLU 36 -7.020 -3.050 2.743
292 HG3 GLU 36 HG1 GLU 36 -5.470 -2.515 3.401
293 H TYR 37 H TYR 37 -5.426 -2.950 -1.570
294 HA TYR 37 HA TYR 37 -4.245 -0.681 -2.689
295 HB2 TYR 37 HB2 TYR 37 -3.330 -2.902 -3.023
296 HB3 TYR 37 HB1 TYR 37 -4.766 -3.393 -3.907
297 HD1 TYR 37 HD1 TYR 37 -4.757 -3.271 -6.219
298 HD2 TYR 37 HD2 TYR 37 -2.020 -0.880 -4.025
299 HE1 TYR 37 HE1 TYR 37 -3.701 -2.555 -8.314
300 HE2 TYR 37 HE2 TYR 37 -0.962 -0.161 -6.118
301 HH TYR 37 HH TYR 37 -2.342 -0.626 -9.133
302 H GLN 38 H GLN 38 -7.142 -2.472 -3.676
303 HA GLN 38 HA GLN 38 -7.734 -0.922 -5.950
304 HB2 GLN 38 HB2 GLN 38 -9.536 -2.534 -4.154
305 HB3 GLN 38 HB1 GLN 38 -10.078 -1.783 -5.649
306 HG2 GLN 38 HG2 GLN 38 -8.550 -3.127 -6.931
307 HG3 GLN 38 HG1 GLN 38 -7.858 -3.795 -5.454
308 HE21 GLN 38 1HE2 GLN 38 -8.981 -5.278 -4.326
309 HE22 GLN 38 2HE2 GLN 38 -10.346 -6.136 -4.962
310 H ARG 39 H ARG 39 -8.626 -0.562 -2.590
311 HA ARG 39 HA ARG 39 -10.436 1.580 -2.891
312 HB2 ARG 39 HB2 ARG 39 -8.678 0.902 -0.537
313 HB3 ARG 39 HB1 ARG 39 -10.022 2.031 -0.495
314 HG2 ARG 39 HG2 ARG 39 -11.560 0.193 -1.028
315 HG3 ARG 39 HG1 ARG 39 -10.195 -0.925 -1.043
316 HD2 ARG 39 HD2 ARG 39 -11.307 -1.064 1.090
317 HD3 ARG 39 HD1 ARG 39 -9.724 -0.318 1.306
318 HE ARG 39 HE ARG 39 -11.959 1.474 0.937
319 HH11 ARG 39 HH11 ARG 39 -9.620 0.063 3.216
320 HH12 ARG 39 HH12 ARG 39 -10.122 1.046 4.505
321 HH21 ARG 39 HH21 ARG 39 -12.597 2.834 2.748
322 HH22 ARG 39 HH22 ARG 39 -11.811 2.634 4.245
323 H GLU 40 H GLU 40 -6.934 1.476 -2.578
324 HA GLU 40 HA GLU 40 -6.821 4.337 -2.475
325 HB2 GLU 40 HB2 GLU 40 -4.676 2.261 -2.476
326 HB3 GLU 40 HB1 GLU 40 -4.306 3.972 -2.629
327 HG2 GLU 40 HG2 GLU 40 -5.583 4.339 -0.510
328 HG3 GLU 40 HG1 GLU 40 -5.670 2.585 -0.346
329 H LYS 41 H LYS 41 -6.699 1.978 -5.004
330 HA LYS 41 HA LYS 41 -5.650 3.725 -6.980
331 HB2 LYS 41 HB2 LYS 41 -7.553 1.400 -7.212
332 HB3 LYS 41 HB1 LYS 41 -6.937 2.310 -8.583
333 HG2 LYS 41 HG2 LYS 41 -4.652 1.631 -7.955
334 HG3 LYS 41 HG1 LYS 41 -5.333 0.660 -6.645
335 HD2 LYS 41 HD2 LYS 41 -4.857 -0.706 -8.636
336 HD3 LYS 41 HD1 LYS 41 -6.580 -0.673 -8.253
337 HE2 LYS 41 HE2 LYS 41 -6.982 0.954 -9.988
338 HE3 LYS 41 HE1 LYS 41 -5.250 1.095 -10.291
339 HZ1 LYS 41 HZ1 LYS 41 -5.273 -1.173 -11.143
340 HZ2 LYS 41 HZ2 LYS 41 -6.486 -0.288 -11.922
341 HZ3 LYS 41 HZ3 LYS 41 -6.885 -1.353 -10.704
342 H GLY 42 H GLY 42 -8.666 3.318 -5.442
343 HA2 GLY 42 HA2 GLY 42 -10.014 5.156 -7.233
344 HA3 GLY 42 HA1 GLY 42 -10.731 4.301 -5.863
345 H GLN 43 H GLN 43 -11.450 6.706 -5.746
346 HA GLN 43 HA GLN 43 -9.451 8.178 -4.222
347 HB2 GLN 43 HB2 GLN 43 -11.967 9.166 -5.559
348 HB3 GLN 43 HB1 GLN 43 -10.820 10.159 -4.676
349 HG2 GLN 43 HG2 GLN 43 -10.187 8.609 -7.181
350 HG3 GLN 43 HG1 GLN 43 -10.594 10.317 -7.130
351 HE21 GLN 43 1HE2 GLN 43 -8.658 10.867 -8.049
352 HE22 GLN 43 2HE2 GLN 43 -7.151 10.826 -7.211
353 H HIS 44 H HIS 44 -9.666 8.079 -2.120
354 HA HIS 44 HA HIS 44 -12.077 7.308 -0.798
355 HB2 HIS 44 HB2 HIS 44 -9.488 8.498 0.243
356 HB3 HIS 44 HB1 HIS 44 -10.840 8.105 1.293
357 HD1 HIS 44 HD1 HIS 44 -7.953 6.545 -0.474
358 HD2 HIS 44 HD2 HIS 44 -11.364 5.349 1.567
359 HE1 HIS 44 HE1 HIS 44 -7.627 4.123 0.073
360 H GLN 45 H GLN 45 -10.462 10.277 -1.629
361 HA GLN 45 HA GLN 45 -12.944 11.681 -1.241
362 HB2 GLN 45 HB2 GLN 45 -10.137 12.613 -0.671
363 HB3 GLN 45 HB1 GLN 45 -11.525 13.671 -0.791
364 HG2 GLN 45 HG2 GLN 45 -12.526 12.556 1.151
365 HG3 GLN 45 HG1 GLN 45 -11.119 11.496 1.248
366 HE21 GLN 45 1HE2 GLN 45 -10.600 12.208 3.277
367 HE22 GLN 45 2HE2 GLN 45 -9.926 13.765 3.585
368 H GLY 46 H GLY 46 -13.391 12.826 -3.114
369 HA2 GLY 46 HA2 GLY 46 -11.727 13.976 -4.873
370 HA3 GLY 46 HA1 GLY 46 -11.683 12.285 -5.357
371 H GLU 47 H GLU 47 -12.532 13.977 -7.154
372 HA GLU 47 HA GLU 47 -15.416 13.501 -7.261
373 HB2 GLU 47 HB2 GLU 47 -14.015 16.060 -8.080
374 HB3 GLU 47 HB1 GLU 47 -15.726 15.720 -8.285
375 HG2 GLU 47 HG2 GLU 47 -16.068 15.682 -5.915
376 HG3 GLU 47 HG1 GLU 47 -14.338 15.806 -5.621
377 H THR 48 H THR 48 -15.446 11.982 -8.804
378 HA THR 48 HA THR 48 -13.755 12.333 -11.158
379 HB THR 48 HB THR 48 -13.467 10.166 -10.068
380 HG1 THR 48 HG1 THR 48 -14.052 10.428 -12.579
381 HG21 THR 48 HG21 THR 48 -15.319 8.528 -9.897
382 HG22 THR 48 HG22 THR 48 -16.445 9.772 -10.445
383 HG23 THR 48 HG23 THR 48 -15.597 9.961 -8.910
384 H ASN 49 H ASN 49 -16.647 13.234 -10.177
385 HA ASN 49 HA ASN 49 -17.825 13.156 -12.848
386 HB2 ASN 49 HB2 ASN 49 -18.889 11.349 -11.591
387 HB3 ASN 49 HB1 ASN 49 -19.239 12.451 -10.268
388 HD21 ASN 49 HD21 ASN 49 -21.401 12.068 -10.382
389 HD22 ASN 49 HD22 ASN 49 -22.415 12.653 -11.650
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 8.715 7.724 -6.222
2 H2 ARG 1 HT2 ARG 1 7.112 8.014 -6.627
3 H3 ARG 1 HT3 ARG 1 8.207 9.293 -6.582
4 HA ARG 1 HA ARG 1 7.732 8.600 -8.853
5 HB2 ARG 1 HB2 ARG 1 10.490 7.823 -7.902
6 HB3 ARG 1 HB1 ARG 1 10.051 8.105 -9.579
7 HG2 ARG 1 HG2 ARG 1 9.503 10.430 -9.016
8 HG3 ARG 1 HG1 ARG 1 10.017 10.127 -7.358
9 HD2 ARG 1 HD2 ARG 1 11.805 11.176 -8.602
10 HD3 ARG 1 HD1 ARG 1 12.246 9.525 -8.177
11 HE ARG 1 HE ARG 1 11.057 9.616 -10.730
12 HH11 ARG 1 HH11 ARG 1 14.071 10.455 -9.076
13 HH12 ARG 1 HH12 ARG 1 15.049 10.222 -10.454
14 HH21 ARG 1 HH21 ARG 1 12.447 9.310 -12.646
15 HH22 ARG 1 HH22 ARG 1 14.124 9.562 -12.462
16 H GLY 2 H GLY 2 8.546 6.786 -10.471
17 HA2 GLY 2 HA2 GLY 2 8.498 4.518 -11.050
18 HA3 GLY 2 HA1 GLY 2 8.532 4.175 -9.335
19 HA PRO 3 HA PRO 3 4.271 3.216 -10.415
20 HB2 PRO 3 HB2 PRO 3 4.045 1.099 -8.752
21 HB3 PRO 3 HB1 PRO 3 4.812 0.961 -10.339
22 HG2 PRO 3 HG2 PRO 3 6.068 1.150 -7.642
23 HG3 PRO 3 HG1 PRO 3 6.568 0.197 -9.047
24 HD2 PRO 3 HD2 PRO 3 7.681 2.621 -8.287
25 HD3 PRO 3 HD1 PRO 3 7.789 1.959 -9.922
26 H ASP 4 H ASP 4 2.498 2.612 -8.623
27 HA ASP 4 HA ASP 4 2.329 4.846 -6.876
28 HB2 ASP 4 HB2 ASP 4 0.707 2.307 -7.032
29 HB3 ASP 4 HB1 ASP 4 0.405 3.540 -5.822
30 H LYS 5 H LYS 5 2.613 5.009 -4.708
31 HA LYS 5 HA LYS 5 4.501 3.372 -3.372
32 HB2 LYS 5 HB2 LYS 5 2.321 5.084 -2.126
33 HB3 LYS 5 HB1 LYS 5 3.768 4.514 -1.327
34 HG2 LYS 5 HG2 LYS 5 5.137 5.966 -2.712
35 HG3 LYS 5 HG1 LYS 5 3.701 6.504 -3.596
36 HD2 LYS 5 HD2 LYS 5 2.747 7.367 -1.510
37 HD3 LYS 5 HD1 LYS 5 4.175 6.838 -0.632
38 HE2 LYS 5 HE2 LYS 5 4.247 9.235 -1.077
39 HE3 LYS 5 HE1 LYS 5 5.551 8.409 -1.916
40 HZ1 LYS 5 HZ1 LYS 5 4.334 8.598 -3.972
41 HZ2 LYS 5 HZ2 LYS 5 4.405 10.115 -3.253
42 HZ3 LYS 5 HZ3 LYS 5 2.991 9.218 -3.174
43 H SER 6 H SER 6 1.041 3.609 -3.491
44 HA SER 6 HA SER 6 0.121 1.770 -1.672
45 HB2 SER 6 HB2 SER 6 -1.026 2.276 -4.394
46 HB3 SER 6 HB1 SER 6 -1.878 1.934 -2.888
47 HG SER 6 HG SER 6 -0.809 3.959 -2.141
48 H TYR 7 H TYR 7 1.326 1.332 -4.973
49 HA TYR 7 HA TYR 7 0.348 -1.330 -5.202
50 HB2 TYR 7 HB2 TYR 7 0.681 0.117 -7.202
51 HB3 TYR 7 HB1 TYR 7 2.416 0.071 -6.914
52 HD1 TYR 7 HD1 TYR 7 -0.487 -2.199 -7.460
53 HD2 TYR 7 HD2 TYR 7 3.688 -1.574 -7.984
54 HE1 TYR 7 HE1 TYR 7 -0.356 -4.258 -8.789
55 HE2 TYR 7 HE2 TYR 7 3.829 -3.637 -9.326
56 HH TYR 7 HH TYR 7 1.023 -5.293 -10.432
57 H LYS 8 H LYS 8 3.464 0.173 -4.462
58 HA LYS 8 HA LYS 8 4.874 -2.246 -4.409
59 HB2 LYS 8 HB2 LYS 8 5.401 0.278 -2.882
60 HB3 LYS 8 HB1 LYS 8 6.567 -1.034 -3.092
61 HG2 LYS 8 HG2 LYS 8 6.328 -0.558 -5.595
62 HG3 LYS 8 HG1 LYS 8 5.537 0.941 -5.102
63 HD2 LYS 8 HD2 LYS 8 8.341 0.047 -4.418
64 HD3 LYS 8 HD1 LYS 8 7.880 1.384 -5.465
65 HE2 LYS 8 HE2 LYS 8 6.920 2.570 -3.538
66 HE3 LYS 8 HE1 LYS 8 7.314 1.205 -2.502
67 HZ1 LYS 8 HZ1 LYS 8 9.663 1.567 -3.033
68 HZ2 LYS 8 HZ2 LYS 8 8.978 2.864 -2.239
69 HZ3 LYS 8 HZ3 LYS 8 9.266 2.958 -3.899
70 H ARG 9 H ARG 9 3.133 -0.415 -1.977
71 HA ARG 9 HA ARG 9 3.710 -2.038 0.250
72 HB2 ARG 9 HB2 ARG 9 1.309 -0.281 -0.290
73 HB3 ARG 9 HB1 ARG 9 1.678 -1.005 1.269
74 HG2 ARG 9 HG2 ARG 9 3.727 0.262 1.423
75 HG3 ARG 9 HG1 ARG 9 3.473 0.916 -0.195
76 HD2 ARG 9 HD2 ARG 9 2.821 2.570 1.431
77 HD3 ARG 9 HD1 ARG 9 1.391 1.966 0.598
78 HE ARG 9 HE ARG 9 1.866 0.522 2.984
79 HH11 ARG 9 HH11 ARG 9 0.573 3.607 1.817
80 HH12 ARG 9 HH12 ARG 9 -0.417 3.880 3.168
81 HH21 ARG 9 HH21 ARG 9 0.500 0.911 4.869
82 HH22 ARG 9 HH22 ARG 9 -0.477 2.299 4.938
83 H LEU 10 H LEU 10 1.440 -2.371 -2.346
84 HA LEU 10 HA LEU 10 -0.155 -4.375 -1.226
85 HB2 LEU 10 HB2 LEU 10 -0.881 -3.284 -3.239
86 HB3 LEU 10 HB1 LEU 10 0.550 -3.805 -4.100
87 HG LEU 10 HG LEU 10 -0.205 -6.114 -4.009
88 HD11 LEU 10 HD11 LEU 10 -2.643 -5.043 -2.606
89 HD12 LEU 10 HD12 LEU 10 -1.390 -6.090 -1.933
90 HD13 LEU 10 HD13 LEU 10 -2.434 -6.689 -3.216
91 HD21 LEU 10 HD21 LEU 10 -2.114 -5.920 -5.523
92 HD22 LEU 10 HD22 LEU 10 -0.838 -4.765 -5.913
93 HD23 LEU 10 HD23 LEU 10 -2.294 -4.222 -5.074
94 H GLN 11 H GLN 11 2.794 -4.640 -3.227
95 HA GLN 11 HA GLN 11 2.915 -7.459 -2.943
96 HB2 GLN 11 HB2 GLN 11 5.163 -5.539 -3.547
97 HB3 GLN 11 HB1 GLN 11 5.453 -7.253 -3.333
98 HG2 GLN 11 HG2 GLN 11 5.282 -6.962 -5.648
99 HG3 GLN 11 HG1 GLN 11 3.731 -7.632 -5.162
100 HE21 GLN 11 1HE2 GLN 11 4.885 -4.332 -4.866
101 HE22 GLN 11 2HE2 GLN 11 3.647 -3.661 -5.858
102 H GLU 12 H GLU 12 4.191 -4.920 -0.924
103 HA GLU 12 HA GLU 12 5.656 -6.406 0.905
104 HB2 GLU 12 HB2 GLU 12 3.847 -4.062 1.527
105 HB3 GLU 12 HB1 GLU 12 5.147 -4.652 2.546
106 HG2 GLU 12 HG2 GLU 12 5.480 -3.486 -0.205
107 HG3 GLU 12 HG1 GLU 12 5.752 -2.629 1.309
108 H CYS 13 H CYS 13 2.229 -5.572 0.980
109 HA CYS 13 HA CYS 13 1.508 -6.945 3.302
110 HB2 CYS 13 HB2 CYS 13 0.184 -5.177 2.023
111 HB3 CYS 13 HB1 CYS 13 -0.288 -6.467 0.935
112 H GLN 14 H GLN 14 1.380 -7.939 -0.109
113 HA GLN 14 HA GLN 14 0.141 -10.411 0.371
114 HB2 GLN 14 HB2 GLN 14 1.791 -9.491 -1.970
115 HB3 GLN 14 HB1 GLN 14 0.870 -10.991 -1.936
116 HG2 GLN 14 HG2 GLN 14 -1.182 -9.710 -1.651
117 HG3 GLN 14 HG1 GLN 14 -0.245 -8.216 -1.663
118 HE21 GLN 14 1HE2 GLN 14 0.778 -7.616 -3.561
119 HE22 GLN 14 2HE2 GLN 14 0.236 -8.154 -5.107
120 H ARG 15 H ARG 15 3.598 -9.606 -0.044
121 HA ARG 15 HA ARG 15 4.510 -12.252 0.165
122 HB2 ARG 15 HB2 ARG 15 5.877 -9.645 0.810
123 HB3 ARG 15 HB1 ARG 15 6.696 -11.197 0.904
124 HG2 ARG 15 HG2 ARG 15 5.387 -10.115 -1.577
125 HG3 ARG 15 HG1 ARG 15 7.102 -9.952 -1.202
126 HD2 ARG 15 HD2 ARG 15 5.618 -12.580 -1.514
127 HD3 ARG 15 HD1 ARG 15 6.646 -11.841 -2.735
128 HE ARG 15 HE ARG 15 8.259 -11.994 -0.580
129 HH11 ARG 15 HH11 ARG 15 6.253 -14.481 -2.073
130 HH12 ARG 15 HH12 ARG 15 7.390 -15.736 -1.916
131 HH21 ARG 15 HH21 ARG 15 9.799 -13.711 -0.239
132 HH22 ARG 15 HH22 ARG 15 9.455 -15.290 -0.789
133 H ARG 16 H ARG 16 3.576 -9.971 2.615
134 HA ARG 16 HA ARG 16 4.589 -11.498 4.794
135 HB2 ARG 16 HB2 ARG 16 2.385 -9.438 4.690
136 HB3 ARG 16 HB1 ARG 16 2.946 -10.187 6.176
137 HG2 ARG 16 HG2 ARG 16 4.611 -8.512 4.318
138 HG3 ARG 16 HG1 ARG 16 3.905 -7.965 5.837
139 HD2 ARG 16 HD2 ARG 16 5.977 -10.136 5.492
140 HD3 ARG 16 HD1 ARG 16 6.233 -8.526 6.150
141 HE ARG 16 HE ARG 16 4.258 -10.126 7.553
142 HH11 ARG 16 HH11 ARG 16 7.651 -9.185 7.375
143 HH12 ARG 16 HH12 ARG 16 7.964 -9.538 9.017
144 HH21 ARG 16 HH21 ARG 16 4.657 -10.584 9.711
145 HH22 ARG 16 HH22 ARG 16 6.215 -10.350 10.403
146 H CYS 17 H CYS 17 1.471 -11.280 3.213
147 HA CYS 17 HA CYS 17 0.163 -13.175 4.770
148 HB2 CYS 17 HB2 CYS 17 -0.210 -12.416 1.889
149 HB3 CYS 17 HB1 CYS 17 -1.287 -13.504 2.751
150 H GLN 18 H GLN 18 2.270 -13.585 2.006
151 HA GLN 18 HA GLN 18 1.749 -16.345 1.661
152 HB2 GLN 18 HB2 GLN 18 4.186 -14.765 0.858
153 HB3 GLN 18 HB1 GLN 18 3.771 -16.372 0.273
154 HG2 GLN 18 HG2 GLN 18 1.688 -15.447 -0.667
155 HG3 GLN 18 HG1 GLN 18 2.186 -13.860 -0.129
156 HE21 GLN 18 1HE2 GLN 18 1.697 -14.813 -2.811
157 HE22 GLN 18 2HE2 GLN 18 3.136 -14.504 -3.707
158 H SER 19 H SER 19 3.991 -14.619 3.713
159 HA SER 19 HA SER 19 5.349 -17.055 4.459
160 HB2 SER 19 HB2 SER 19 5.587 -14.262 5.579
161 HB3 SER 19 HB1 SER 19 6.681 -15.611 5.902
162 HG SER 19 HG SER 19 6.332 -15.280 3.264
163 H GLU 20 H GLU 20 3.138 -14.711 6.028
164 HA GLU 20 HA GLU 20 3.146 -16.189 8.468
165 HB2 GLU 20 HB2 GLU 20 1.488 -13.828 7.612
166 HB3 GLU 20 HB1 GLU 20 1.617 -14.455 9.250
167 HG2 GLU 20 HG2 GLU 20 4.044 -13.981 9.191
168 HG3 GLU 20 HG1 GLU 20 3.830 -13.276 7.604
169 H GLN 21 H GLN 21 1.135 -16.194 5.607
170 HA GLN 21 HA GLN 21 -0.788 -17.830 7.079
171 HB2 GLN 21 HB2 GLN 21 -1.387 -16.186 4.612
172 HB3 GLN 21 HB1 GLN 21 -2.541 -17.004 5.649
173 HG2 GLN 21 HG2 GLN 21 -0.872 -14.618 6.417
174 HG3 GLN 21 HG1 GLN 21 -2.556 -14.562 5.925
175 HE21 GLN 21 1HE2 GLN 21 -1.270 -13.703 8.353
176 HE22 GLN 21 2HE2 GLN 21 -2.021 -14.529 9.656
177 H GLN 22 H GLN 22 -1.876 -19.410 5.527
178 HA GLN 22 HA GLN 22 -0.539 -19.917 3.036
179 HB2 GLN 22 HB2 GLN 22 -0.192 -22.324 3.572
180 HB3 GLN 22 HB1 GLN 22 0.883 -21.232 4.425
181 HG2 GLN 22 HG2 GLN 22 -0.398 -21.482 6.437
182 HG3 GLN 22 HG1 GLN 22 -1.611 -22.455 5.599
183 HE21 GLN 22 1HE2 GLN 22 -1.096 -24.538 5.056
184 HE22 GLN 22 2HE2 GLN 22 0.241 -25.386 5.755
185 H GLY 23 H GLY 23 -1.620 -21.543 1.809
186 HA2 GLY 23 HA2 GLY 23 -3.474 -22.493 0.867
187 HA3 GLY 23 HA1 GLY 23 -3.944 -22.891 2.508
188 H GLN 24 H GLN 24 -5.892 -22.282 2.921
189 HA GLN 24 HA GLN 24 -7.337 -20.415 1.339
190 HB2 GLN 24 HB2 GLN 24 -8.072 -21.662 3.983
191 HB3 GLN 24 HB1 GLN 24 -9.173 -20.846 2.885
192 HG2 GLN 24 HG2 GLN 24 -7.653 -23.375 2.287
193 HG3 GLN 24 HG1 GLN 24 -9.349 -23.273 2.745
194 HE21 GLN 24 1HE2 GLN 24 -9.838 -20.895 1.099
195 HE22 GLN 24 2HE2 GLN 24 -9.850 -21.469 -0.525
196 H ARG 25 H ARG 25 -5.712 -20.324 4.415
197 HA ARG 25 HA ARG 25 -6.765 -17.873 5.353
198 HB2 ARG 25 HB2 ARG 25 -4.121 -19.168 5.939
199 HB3 ARG 25 HB1 ARG 25 -4.840 -17.850 6.857
200 HG2 ARG 25 HG2 ARG 25 -6.758 -19.318 7.382
201 HG3 ARG 25 HG1 ARG 25 -5.924 -20.640 6.557
202 HD2 ARG 25 HD2 ARG 25 -4.039 -20.333 8.032
203 HD3 ARG 25 HD1 ARG 25 -4.947 -19.065 8.876
204 HE ARG 25 HE ARG 25 -6.471 -21.387 8.867
205 HH11 ARG 25 HH11 ARG 25 -3.446 -20.237 10.310
206 HH12 ARG 25 HH12 ARG 25 -3.471 -21.358 11.600
207 HH21 ARG 25 HH21 ARG 25 -6.506 -22.900 10.688
208 HH22 ARG 25 HH22 ARG 25 -5.245 -22.885 11.824
209 H LEU 26 H LEU 26 -4.136 -18.776 3.269
210 HA LEU 26 HA LEU 26 -3.003 -16.189 2.991
211 HB2 LEU 26 HB2 LEU 26 -1.625 -17.995 2.403
212 HB3 LEU 26 HB1 LEU 26 -2.818 -18.690 1.321
213 HG LEU 26 HG LEU 26 -2.413 -16.866 -0.281
214 HD11 LEU 26 HD11 LEU 26 -0.396 -15.904 1.736
215 HD12 LEU 26 HD12 LEU 26 -1.854 -15.069 1.174
216 HD13 LEU 26 HD13 LEU 26 -0.513 -15.341 0.066
217 HD21 LEU 26 HD21 LEU 26 0.109 -18.217 0.651
218 HD22 LEU 26 HD22 LEU 26 -0.147 -17.489 -0.937
219 HD23 LEU 26 HD23 LEU 26 -1.090 -18.899 -0.447
220 H GLN 27 H GLN 27 -5.349 -18.043 1.135
221 HA GLN 27 HA GLN 27 -5.803 -16.317 -0.994
222 HB2 GLN 27 HB2 GLN 27 -7.861 -18.001 0.444
223 HB3 GLN 27 HB1 GLN 27 -8.046 -17.312 -1.160
224 HG2 GLN 27 HG2 GLN 27 -6.000 -19.370 -0.363
225 HG3 GLN 27 HG1 GLN 27 -7.505 -19.694 -1.219
226 HE21 GLN 27 1HE2 GLN 27 -7.678 -19.111 -3.367
227 HE22 GLN 27 2HE2 GLN 27 -6.310 -18.698 -4.321
228 H GLU 28 H GLU 28 -7.394 -16.356 2.182
229 HA GLU 28 HA GLU 28 -9.035 -14.112 1.722
230 HB2 GLU 28 HB2 GLU 28 -7.980 -15.206 4.325
231 HB3 GLU 28 HB1 GLU 28 -9.325 -14.090 4.151
232 HG2 GLU 28 HG2 GLU 28 -9.220 -16.911 3.119
233 HG3 GLU 28 HG1 GLU 28 -10.081 -16.366 4.552
234 H CYS 29 H CYS 29 -5.869 -14.491 3.269
235 HA CYS 29 HA CYS 29 -5.588 -11.860 4.184
236 HB2 CYS 29 HB2 CYS 29 -4.207 -13.862 4.851
237 HB3 CYS 29 HB1 CYS 29 -3.323 -13.671 3.347
238 H GLN 30 H GLN 30 -4.368 -13.350 1.169
239 HA GLN 30 HA GLN 30 -3.214 -10.964 0.203
240 HB2 GLN 30 HB2 GLN 30 -3.174 -12.079 -2.033
241 HB3 GLN 30 HB1 GLN 30 -2.468 -13.042 -0.745
242 HG2 GLN 30 HG2 GLN 30 -4.475 -14.371 -0.606
243 HG3 GLN 30 HG1 GLN 30 -5.240 -13.406 -1.872
244 HE21 GLN 30 1HE2 GLN 30 -1.874 -14.315 -1.967
245 HE22 GLN 30 2HE2 GLN 30 -2.021 -15.446 -3.242
246 H GLN 31 H GLN 31 -6.438 -12.313 -0.138
247 HA GLN 31 HA GLN 31 -7.511 -10.578 -2.036
248 HB2 GLN 31 HB2 GLN 31 -8.753 -12.509 -1.244
249 HB3 GLN 31 HB1 GLN 31 -8.787 -11.857 0.383
250 HG2 GLN 31 HG2 GLN 31 -10.195 -10.013 -0.386
251 HG3 GLN 31 HG1 GLN 31 -10.172 -10.684 -2.015
252 HE21 GLN 31 1HE2 GLN 31 -12.357 -10.206 -0.121
253 HE22 GLN 31 2HE2 GLN 31 -13.202 -11.697 0.028
254 H ARG 32 H ARG 32 -7.308 -10.297 1.461
255 HA ARG 32 HA ARG 32 -8.582 -7.811 1.697
256 HB2 ARG 32 HB2 ARG 32 -6.520 -9.066 3.487
257 HB3 ARG 32 HB1 ARG 32 -7.499 -7.675 3.934
258 HG2 ARG 32 HG2 ARG 32 -9.518 -9.105 3.655
259 HG3 ARG 32 HG1 ARG 32 -8.449 -10.471 3.350
260 HD2 ARG 32 HD2 ARG 32 -8.602 -8.831 5.874
261 HD3 ARG 32 HD1 ARG 32 -9.182 -10.478 5.654
262 HE ARG 32 HE ARG 32 -6.343 -9.818 5.330
263 HH11 ARG 32 HH11 ARG 32 -8.870 -11.774 6.907
264 HH12 ARG 32 HH12 ARG 32 -7.799 -12.624 7.900
265 HH21 ARG 32 HH21 ARG 32 -4.850 -11.033 6.723
266 HH22 ARG 32 HH22 ARG 32 -5.486 -12.186 7.804
267 H CYS 33 H CYS 33 -5.159 -8.635 1.304
268 HA CYS 33 HA CYS 33 -4.177 -6.003 1.453
269 HB2 CYS 33 HB2 CYS 33 -3.080 -8.360 -0.093
270 HB3 CYS 33 HB1 CYS 33 -2.209 -6.862 0.203
271 H GLN 34 H GLN 34 -5.449 -7.885 -1.237
272 HA GLN 34 HA GLN 34 -4.891 -6.001 -3.248
273 HB2 GLN 34 HB2 GLN 34 -6.860 -8.261 -3.044
274 HB3 GLN 34 HB1 GLN 34 -6.718 -7.274 -4.492
275 HG2 GLN 34 HG2 GLN 34 -4.432 -7.954 -4.796
276 HG3 GLN 34 HG1 GLN 34 -4.427 -8.778 -3.240
277 HE21 GLN 34 1HE2 GLN 34 -5.521 -8.887 -6.515
278 HE22 GLN 34 2HE2 GLN 34 -5.960 -10.553 -6.533
279 H GLN 35 H GLN 35 -7.544 -6.352 -1.016
280 HA GLN 35 HA GLN 35 -9.153 -4.330 -2.238
281 HB2 GLN 35 HB2 GLN 35 -9.233 -5.226 0.650
282 HB3 GLN 35 HB1 GLN 35 -10.496 -4.365 -0.210
283 HG2 GLN 35 HG2 GLN 35 -9.600 -7.209 -0.647
284 HG3 GLN 35 HG1 GLN 35 -11.121 -6.641 0.034
285 HE21 GLN 35 1HE2 GLN 35 -9.315 -7.184 -2.839
286 HE22 GLN 35 2HE2 GLN 35 -10.606 -6.931 -3.958
287 H GLU 36 H GLU 36 -6.825 -4.420 0.418
288 HA GLU 36 HA GLU 36 -6.845 -1.811 1.317
289 HB2 GLU 36 HB2 GLU 36 -4.614 -3.783 0.986
290 HB3 GLU 36 HB1 GLU 36 -4.340 -2.195 1.682
291 HG2 GLU 36 HG2 GLU 36 -6.332 -4.181 2.736
292 HG3 GLU 36 HG1 GLU 36 -4.680 -4.022 3.333
293 H TYR 37 H TYR 37 -5.088 -3.164 -1.385
294 HA TYR 37 HA TYR 37 -3.773 -0.885 -2.280
295 HB2 TYR 37 HB2 TYR 37 -3.199 -3.013 -3.229
296 HB3 TYR 37 HB1 TYR 37 -4.833 -3.255 -3.833
297 HD1 TYR 37 HD1 TYR 37 -5.291 -2.748 -6.050
298 HD2 TYR 37 HD2 TYR 37 -1.933 -0.917 -4.188
299 HE1 TYR 37 HE1 TYR 37 -4.677 -1.718 -8.190
300 HE2 TYR 37 HE2 TYR 37 -1.308 0.116 -6.327
301 HH TYR 37 HH TYR 37 -1.693 -0.298 -8.793
302 H GLN 38 H GLN 38 -7.023 -2.033 -3.113
303 HA GLN 38 HA GLN 38 -7.615 0.048 -4.938
304 HB2 GLN 38 HB2 GLN 38 -9.416 -1.753 -3.338
305 HB3 GLN 38 HB1 GLN 38 -10.000 -0.621 -4.549
306 HG2 GLN 38 HG2 GLN 38 -8.084 -2.874 -5.055
307 HG3 GLN 38 HG1 GLN 38 -9.818 -2.903 -5.393
308 HE21 GLN 38 1HE2 GLN 38 -10.614 -1.642 -7.051
309 HE22 GLN 38 2HE2 GLN 38 -9.623 -0.987 -8.289
310 H ARG 39 H ARG 39 -7.884 -0.241 -1.516
311 HA ARG 39 HA ARG 39 -9.487 2.076 -1.117
312 HB2 ARG 39 HB2 ARG 39 -7.658 0.595 0.770
313 HB3 ARG 39 HB1 ARG 39 -8.773 1.870 1.265
314 HG2 ARG 39 HG2 ARG 39 -10.657 0.530 0.619
315 HG3 ARG 39 HG1 ARG 39 -9.596 -0.693 -0.075
316 HD2 ARG 39 HD2 ARG 39 -8.670 -1.111 2.184
317 HD3 ARG 39 HD1 ARG 39 -9.822 0.056 2.839
318 HE ARG 39 HE ARG 39 -11.500 -1.494 1.649
319 HH11 ARG 39 HH11 ARG 39 -8.617 -2.601 3.460
320 HH12 ARG 39 HH12 ARG 39 -9.315 -4.069 3.906
321 HH21 ARG 39 HH21 ARG 39 -12.436 -3.553 2.278
322 HH22 ARG 39 HH22 ARG 39 -11.540 -4.640 3.215
323 H GLU 40 H GLU 40 -6.058 1.476 -1.364
324 HA GLU 40 HA GLU 40 -5.229 4.130 -0.652
325 HB2 GLU 40 HB2 GLU 40 -3.862 1.934 -2.190
326 HB3 GLU 40 HB1 GLU 40 -3.085 3.441 -1.733
327 HG2 GLU 40 HG2 GLU 40 -4.182 1.376 0.155
328 HG3 GLU 40 HG1 GLU 40 -2.484 1.595 -0.264
329 H LYS 41 H LYS 41 -6.083 2.444 -3.615
330 HA LYS 41 HA LYS 41 -5.343 4.531 -5.381
331 HB2 LYS 41 HB2 LYS 41 -7.196 2.180 -5.750
332 HB3 LYS 41 HB1 LYS 41 -6.685 3.239 -7.051
333 HG2 LYS 41 HG2 LYS 41 -4.864 1.528 -5.356
334 HG3 LYS 41 HG1 LYS 41 -5.393 1.143 -6.990
335 HD2 LYS 41 HD2 LYS 41 -3.804 3.604 -6.243
336 HD3 LYS 41 HD1 LYS 41 -3.099 2.115 -6.869
337 HE2 LYS 41 HE2 LYS 41 -4.349 2.331 -8.895
338 HE3 LYS 41 HE1 LYS 41 -5.192 3.743 -8.289
339 HZ1 LYS 41 HZ1 LYS 41 -3.152 4.971 -8.251
340 HZ2 LYS 41 HZ2 LYS 41 -3.410 4.349 -9.788
341 HZ3 LYS 41 HZ3 LYS 41 -2.243 3.653 -8.801
342 H GLY 42 H GLY 42 -7.928 4.110 -3.288
343 HA2 GLY 42 HA2 GLY 42 -9.492 6.150 -4.699
344 HA3 GLY 42 HA1 GLY 42 -10.119 5.069 -3.450
345 H GLN 43 H GLN 43 -10.818 7.160 -2.523
346 HA GLN 43 HA GLN 43 -8.717 8.228 -0.747
347 HB2 GLN 43 HB2 GLN 43 -10.944 9.859 -2.012
348 HB3 GLN 43 HB1 GLN 43 -9.711 10.454 -0.921
349 HG2 GLN 43 HG2 GLN 43 -9.236 9.422 -3.705
350 HG3 GLN 43 HG1 GLN 43 -9.319 11.117 -3.230
351 HE21 GLN 43 1HE2 GLN 43 -7.207 9.583 -4.479
352 HE22 GLN 43 2HE2 GLN 43 -5.821 9.735 -3.464
353 H HIS 44 H HIS 44 -9.955 9.411 1.170
354 HA HIS 44 HA HIS 44 -12.008 7.645 2.116
355 HB2 HIS 44 HB2 HIS 44 -11.245 10.413 3.168
356 HB3 HIS 44 HB1 HIS 44 -12.266 9.251 3.994
357 HD1 HIS 44 HD1 HIS 44 -11.043 7.198 5.133
358 HD2 HIS 44 HD2 HIS 44 -8.533 10.012 3.394
359 HE1 HIS 44 HE1 HIS 44 -8.741 6.709 6.011
360 H GLN 45 H GLN 45 -11.717 10.723 0.627
361 HA GLN 45 HA GLN 45 -14.418 11.449 0.334
362 HB2 GLN 45 HB2 GLN 45 -12.562 12.995 -0.118
363 HB3 GLN 45 HB1 GLN 45 -12.002 11.964 -1.424
364 HG2 GLN 45 HG2 GLN 45 -14.091 12.412 -2.634
365 HG3 GLN 45 HG1 GLN 45 -14.582 13.514 -1.350
366 HE21 GLN 45 1HE2 GLN 45 -12.413 12.975 -3.995
367 HE22 GLN 45 2HE2 GLN 45 -11.856 14.586 -4.148
368 H GLY 46 H GLY 46 -15.852 10.223 -0.632
369 HA2 GLY 46 HA2 GLY 46 -16.476 9.259 -2.865
370 HA3 GLY 46 HA1 GLY 46 -15.000 8.304 -2.696
371 H GLU 47 H GLU 47 -15.179 7.936 0.088
372 HA GLU 47 HA GLU 47 -17.222 5.878 0.164
373 HB2 GLU 47 HB2 GLU 47 -14.967 6.535 2.062
374 HB3 GLU 47 HB1 GLU 47 -16.092 5.202 2.280
375 HG2 GLU 47 HG2 GLU 47 -14.210 5.540 -0.030
376 HG3 GLU 47 HG1 GLU 47 -13.974 4.463 1.348
377 H THR 48 H THR 48 -16.620 8.886 1.169
378 HA THR 48 HA THR 48 -18.305 9.014 3.487
379 HB THR 48 HB THR 48 -17.270 11.271 1.758
380 HG1 THR 48 HG1 THR 48 -16.101 9.621 3.648
381 HG21 THR 48 HG21 THR 48 -18.230 11.228 4.632
382 HG22 THR 48 HG22 THR 48 -19.082 11.953 3.270
383 HG23 THR 48 HG23 THR 48 -17.542 12.626 3.803
384 H ASN 49 H ASN 49 -18.615 10.647 0.294
385 HA ASN 49 HA ASN 49 -21.481 10.192 0.467
386 HB2 ASN 49 HB2 ASN 49 -21.053 12.484 1.207
387 HB3 ASN 49 HB1 ASN 49 -20.109 12.793 -0.245
388 HD21 ASN 49 HD21 ASN 49 -23.167 11.020 0.014
389 HD22 ASN 49 HD22 ASN 49 -24.041 12.104 -0.996
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 15.212 2.422 -11.224
2 H2 ARG 1 HT2 ARG 1 14.487 3.703 -10.434
3 H3 ARG 1 HT3 ARG 1 14.945 3.875 -12.053
4 HA ARG 1 HA ARG 1 12.587 3.576 -11.800
5 HB2 ARG 1 HB2 ARG 1 14.124 1.323 -13.071
6 HB3 ARG 1 HB1 ARG 1 12.375 1.392 -13.154
7 HG2 ARG 1 HG2 ARG 1 12.446 3.445 -14.362
8 HG3 ARG 1 HG1 ARG 1 14.184 3.588 -14.139
9 HD2 ARG 1 HD2 ARG 1 12.763 1.401 -15.644
10 HD3 ARG 1 HD1 ARG 1 13.599 2.769 -16.380
11 HE ARG 1 HE ARG 1 15.570 1.807 -15.010
12 HH11 ARG 1 HH11 ARG 1 13.143 -0.093 -16.784
13 HH12 ARG 1 HH12 ARG 1 14.203 -1.384 -17.118
14 HH21 ARG 1 HH21 ARG 1 17.010 0.001 -15.497
15 HH22 ARG 1 HH22 ARG 1 16.438 -1.335 -16.366
16 H GLY 2 H GLY 2 10.852 1.976 -11.383
17 HA2 GLY 2 HA2 GLY 2 11.101 -0.277 -9.887
18 HA3 GLY 2 HA1 GLY 2 11.074 1.059 -8.737
19 HA PRO 3 HA PRO 3 6.730 0.117 -10.060
20 HB2 PRO 3 HB2 PRO 3 5.789 -1.042 -7.860
21 HB3 PRO 3 HB1 PRO 3 6.733 -1.971 -9.028
22 HG2 PRO 3 HG2 PRO 3 7.568 -0.822 -6.404
23 HG3 PRO 3 HG1 PRO 3 8.006 -2.373 -7.142
24 HD2 PRO 3 HD2 PRO 3 9.564 -0.081 -7.179
25 HD3 PRO 3 HD1 PRO 3 9.741 -1.452 -8.296
26 H ASP 4 H ASP 4 4.710 0.671 -8.741
27 HA ASP 4 HA ASP 4 4.862 3.302 -7.635
28 HB2 ASP 4 HB2 ASP 4 2.629 1.250 -7.489
29 HB3 ASP 4 HB1 ASP 4 2.488 2.925 -6.996
30 H LYS 5 H LYS 5 4.650 3.852 -5.437
31 HA LYS 5 HA LYS 5 5.769 1.914 -3.703
32 HB2 LYS 5 HB2 LYS 5 4.664 4.670 -3.123
33 HB3 LYS 5 HB1 LYS 5 5.498 3.669 -1.934
34 HG2 LYS 5 HG2 LYS 5 7.491 3.639 -3.333
35 HG3 LYS 5 HG1 LYS 5 6.670 4.611 -4.541
36 HD2 LYS 5 HD2 LYS 5 6.483 6.449 -2.935
37 HD3 LYS 5 HD1 LYS 5 7.292 5.463 -1.714
38 HE2 LYS 5 HE2 LYS 5 8.885 7.000 -2.734
39 HE3 LYS 5 HE1 LYS 5 9.287 5.338 -3.145
40 HZ1 LYS 5 HZ1 LYS 5 8.302 5.670 -5.328
41 HZ2 LYS 5 HZ2 LYS 5 9.471 6.847 -5.039
42 HZ3 LYS 5 HZ3 LYS 5 7.840 7.235 -4.906
43 H SER 6 H SER 6 2.556 2.996 -4.398
44 HA SER 6 HA SER 6 1.191 1.725 -2.308
45 HB2 SER 6 HB2 SER 6 0.278 2.133 -5.150
46 HB3 SER 6 HB1 SER 6 -0.726 2.045 -3.700
47 HG SER 6 HG SER 6 -0.209 4.030 -3.177
48 H TYR 7 H TYR 7 2.432 0.650 -5.434
49 HA TYR 7 HA TYR 7 1.176 -1.925 -5.398
50 HB2 TYR 7 HB2 TYR 7 2.058 -0.709 -7.494
51 HB3 TYR 7 HB1 TYR 7 3.657 -1.159 -6.879
52 HD1 TYR 7 HD1 TYR 7 4.641 -3.134 -7.521
53 HD2 TYR 7 HD2 TYR 7 0.432 -2.684 -7.889
54 HE1 TYR 7 HE1 TYR 7 4.517 -5.285 -8.734
55 HE2 TYR 7 HE2 TYR 7 0.294 -4.817 -9.081
56 HH TYR 7 HH TYR 7 2.933 -6.996 -9.229
57 H LYS 8 H LYS 8 4.274 -0.565 -4.424
58 HA LYS 8 HA LYS 8 5.431 -3.019 -3.764
59 HB2 LYS 8 HB2 LYS 8 6.617 -0.735 -3.913
60 HB3 LYS 8 HB1 LYS 8 6.048 -0.465 -2.269
61 HG2 LYS 8 HG2 LYS 8 7.227 -2.522 -1.550
62 HG3 LYS 8 HG1 LYS 8 7.853 -2.704 -3.187
63 HD2 LYS 8 HD2 LYS 8 9.602 -1.662 -2.063
64 HD3 LYS 8 HD1 LYS 8 8.783 -0.316 -2.849
65 HE2 LYS 8 HE2 LYS 8 9.238 0.382 -0.627
66 HE3 LYS 8 HE1 LYS 8 7.514 0.012 -0.682
67 HZ1 LYS 8 HZ1 LYS 8 9.668 -1.699 0.419
68 HZ2 LYS 8 HZ2 LYS 8 8.095 -2.232 0.296
69 HZ3 LYS 8 HZ3 LYS 8 8.479 -0.928 1.303
70 H ARG 9 H ARG 9 3.485 -0.694 -1.917
71 HA ARG 9 HA ARG 9 3.354 -1.914 0.585
72 HB2 ARG 9 HB2 ARG 9 1.278 -0.387 -0.983
73 HB3 ARG 9 HB1 ARG 9 0.981 -0.959 0.649
74 HG2 ARG 9 HG2 ARG 9 3.283 0.834 -0.041
75 HG3 ARG 9 HG1 ARG 9 1.683 1.446 0.393
76 HD2 ARG 9 HD2 ARG 9 3.387 -0.372 2.094
77 HD3 ARG 9 HD1 ARG 9 3.190 1.364 2.326
78 HE ARG 9 HE ARG 9 0.651 0.131 2.278
79 HH11 ARG 9 HH11 ARG 9 3.481 0.449 4.395
80 HH12 ARG 9 HH12 ARG 9 2.581 0.210 5.822
81 HH21 ARG 9 HH21 ARG 9 -0.537 -0.190 4.230
82 HH22 ARG 9 HH22 ARG 9 0.269 -0.181 5.742
83 H LEU 10 H LEU 10 1.319 -2.481 -2.231
84 HA LEU 10 HA LEU 10 -0.256 -4.563 -1.237
85 HB2 LEU 10 HB2 LEU 10 -0.865 -3.480 -3.276
86 HB3 LEU 10 HB1 LEU 10 0.657 -3.899 -4.026
87 HG LEU 10 HG LEU 10 -0.006 -6.235 -4.151
88 HD11 LEU 10 HD11 LEU 10 -1.326 -6.390 -2.158
89 HD12 LEU 10 HD12 LEU 10 -2.243 -6.963 -3.547
90 HD13 LEU 10 HD13 LEU 10 -2.590 -5.373 -2.854
91 HD21 LEU 10 HD21 LEU 10 -1.843 -6.009 -5.750
92 HD22 LEU 10 HD22 LEU 10 -0.590 -4.791 -5.992
93 HD23 LEU 10 HD23 LEU 10 -2.106 -4.353 -5.201
94 H GLN 11 H GLN 11 2.819 -4.684 -2.974
95 HA GLN 11 HA GLN 11 3.055 -7.443 -2.908
96 HB2 GLN 11 HB2 GLN 11 4.644 -5.175 -3.716
97 HB3 GLN 11 HB1 GLN 11 5.635 -6.418 -2.962
98 HG2 GLN 11 HG2 GLN 11 5.459 -6.627 -5.387
99 HG3 GLN 11 HG1 GLN 11 4.894 -8.058 -4.514
100 HE21 GLN 11 1HE2 GLN 11 3.071 -5.028 -5.134
101 HE22 GLN 11 2HE2 GLN 11 1.893 -5.824 -6.115
102 H GLU 12 H GLU 12 4.194 -4.963 -0.613
103 HA GLU 12 HA GLU 12 5.568 -6.554 1.203
104 HB2 GLU 12 HB2 GLU 12 3.645 -4.311 1.828
105 HB3 GLU 12 HB1 GLU 12 4.841 -4.950 2.934
106 HG2 GLU 12 HG2 GLU 12 5.365 -3.475 0.375
107 HG3 GLU 12 HG1 GLU 12 5.482 -2.807 1.993
108 H CYS 13 H CYS 13 2.134 -5.755 1.044
109 HA CYS 13 HA CYS 13 1.230 -7.243 3.216
110 HB2 CYS 13 HB2 CYS 13 -0.095 -5.506 2.007
111 HB3 CYS 13 HB1 CYS 13 -0.287 -6.630 0.669
112 H GLN 14 H GLN 14 1.401 -8.123 -0.217
113 HA GLN 14 HA GLN 14 0.396 -10.719 0.135
114 HB2 GLN 14 HB2 GLN 14 2.054 -9.556 -2.087
115 HB3 GLN 14 HB1 GLN 14 1.325 -11.163 -2.138
116 HG2 GLN 14 HG2 GLN 14 -0.884 -10.104 -1.899
117 HG3 GLN 14 HG1 GLN 14 -0.097 -8.525 -1.945
118 HE21 GLN 14 1HE2 GLN 14 0.872 -7.858 -3.859
119 HE22 GLN 14 2HE2 GLN 14 0.475 -8.552 -5.382
120 H ARG 15 H ARG 15 3.721 -9.490 0.158
121 HA ARG 15 HA ARG 15 5.053 -11.958 0.323
122 HB2 ARG 15 HB2 ARG 15 5.752 -9.275 1.513
123 HB3 ARG 15 HB1 ARG 15 6.810 -10.665 1.599
124 HG2 ARG 15 HG2 ARG 15 5.855 -9.411 -0.963
125 HG3 ARG 15 HG1 ARG 15 7.380 -9.023 -0.175
126 HD2 ARG 15 HD2 ARG 15 7.891 -10.586 -1.861
127 HD3 ARG 15 HD1 ARG 15 7.940 -11.486 -0.350
128 HE ARG 15 HE ARG 15 5.470 -11.543 -1.881
129 HH11 ARG 15 HH11 ARG 15 8.392 -13.295 -0.854
130 HH12 ARG 15 HH12 ARG 15 7.910 -14.756 -1.554
131 HH21 ARG 15 HH21 ARG 15 4.833 -13.549 -2.780
132 HH22 ARG 15 HH22 ARG 15 5.838 -14.924 -2.662
133 H ARG 16 H ARG 16 3.663 -9.874 2.789
134 HA ARG 16 HA ARG 16 4.404 -11.453 4.987
135 HB2 ARG 16 HB2 ARG 16 2.046 -9.604 4.689
136 HB3 ARG 16 HB1 ARG 16 2.536 -10.340 6.200
137 HG2 ARG 16 HG2 ARG 16 4.753 -9.116 5.885
138 HG3 ARG 16 HG1 ARG 16 3.933 -8.231 4.600
139 HD2 ARG 16 HD2 ARG 16 3.827 -7.051 6.757
140 HD3 ARG 16 HD1 ARG 16 2.228 -7.478 6.137
141 HE ARG 16 HE ARG 16 3.099 -9.553 7.801
142 HH11 ARG 16 HH11 ARG 16 2.031 -6.181 8.138
143 HH12 ARG 16 HH12 ARG 16 1.508 -6.383 9.742
144 HH21 ARG 16 HH21 ARG 16 2.397 -9.828 9.940
145 HH22 ARG 16 HH22 ARG 16 1.710 -8.527 10.817
146 H CYS 17 H CYS 17 1.438 -11.332 3.157
147 HA CYS 17 HA CYS 17 0.090 -13.319 4.501
148 HB2 CYS 17 HB2 CYS 17 -0.041 -12.549 1.598
149 HB3 CYS 17 HB1 CYS 17 -1.165 -13.638 2.391
150 H GLN 18 H GLN 18 2.462 -13.654 1.935
151 HA GLN 18 HA GLN 18 1.970 -16.474 1.760
152 HB2 GLN 18 HB2 GLN 18 4.205 -14.875 0.525
153 HB3 GLN 18 HB1 GLN 18 3.877 -16.574 0.201
154 HG2 GLN 18 HG2 GLN 18 1.540 -15.799 -0.446
155 HG3 GLN 18 HG1 GLN 18 2.218 -14.192 -0.469
156 HE21 GLN 18 1HE2 GLN 18 1.910 -13.928 -2.668
157 HE22 GLN 18 2HE2 GLN 18 2.869 -14.751 -3.840
158 H SER 19 H SER 19 3.698 -14.644 3.896
159 HA SER 19 HA SER 19 5.512 -16.832 4.534
160 HB2 SER 19 HB2 SER 19 5.354 -14.048 5.712
161 HB3 SER 19 HB1 SER 19 6.648 -15.224 5.949
162 HG SER 19 HG SER 19 5.932 -13.842 3.581
163 H GLU 20 H GLU 20 3.110 -14.703 6.106
164 HA GLU 20 HA GLU 20 3.083 -16.257 8.519
165 HB2 GLU 20 HB2 GLU 20 1.506 -13.846 7.680
166 HB3 GLU 20 HB1 GLU 20 1.666 -14.472 9.318
167 HG2 GLU 20 HG2 GLU 20 4.036 -13.994 9.299
168 HG3 GLU 20 HG1 GLU 20 3.939 -13.495 7.631
169 H GLN 21 H GLN 21 1.264 -16.362 5.552
170 HA GLN 21 HA GLN 21 -0.907 -17.707 6.992
171 HB2 GLN 21 HB2 GLN 21 -1.212 -16.181 4.408
172 HB3 GLN 21 HB1 GLN 21 -2.491 -16.861 5.398
173 HG2 GLN 21 HG2 GLN 21 -0.694 -14.587 6.185
174 HG3 GLN 21 HG1 GLN 21 -2.323 -14.410 5.555
175 HE21 GLN 21 1HE2 GLN 21 -1.203 -13.521 8.012
176 HE22 GLN 21 2HE2 GLN 21 -2.124 -14.234 9.284
177 H GLN 22 H GLN 22 -1.869 -19.455 5.776
178 HA GLN 22 HA GLN 22 -0.422 -20.315 3.388
179 HB2 GLN 22 HB2 GLN 22 -0.409 -22.632 4.181
180 HB3 GLN 22 HB1 GLN 22 0.587 -21.589 5.174
181 HG2 GLN 22 HG2 GLN 22 -1.269 -21.488 6.824
182 HG3 GLN 22 HG1 GLN 22 -2.177 -22.617 5.823
183 HE21 GLN 22 1HE2 GLN 22 0.469 -22.190 7.970
184 HE22 GLN 22 2HE2 GLN 22 0.792 -23.858 8.256
185 H GLY 23 H GLY 23 -1.527 -21.807 2.170
186 HA2 GLY 23 HA2 GLY 23 -3.342 -22.579 0.979
187 HA3 GLY 23 HA1 GLY 23 -3.952 -23.012 2.561
188 H GLN 24 H GLN 24 -5.821 -22.260 3.057
189 HA GLN 24 HA GLN 24 -7.212 -20.460 1.323
190 HB2 GLN 24 HB2 GLN 24 -8.315 -22.427 2.300
191 HB3 GLN 24 HB1 GLN 24 -8.072 -21.769 3.909
192 HG2 GLN 24 HG2 GLN 24 -9.563 -19.922 3.409
193 HG3 GLN 24 HG1 GLN 24 -9.748 -20.502 1.755
194 HE21 GLN 24 1HE2 GLN 24 -11.766 -20.094 3.818
195 HE22 GLN 24 2HE2 GLN 24 -12.541 -21.607 4.030
196 H ARG 25 H ARG 25 -5.694 -20.303 4.475
197 HA ARG 25 HA ARG 25 -6.778 -17.835 5.344
198 HB2 ARG 25 HB2 ARG 25 -4.013 -18.937 5.900
199 HB3 ARG 25 HB1 ARG 25 -4.890 -17.766 6.873
200 HG2 ARG 25 HG2 ARG 25 -5.716 -20.617 6.430
201 HG3 ARG 25 HG1 ARG 25 -4.868 -20.030 7.850
202 HD2 ARG 25 HD2 ARG 25 -6.772 -18.556 8.351
203 HD3 ARG 25 HD1 ARG 25 -7.592 -19.136 6.899
204 HE ARG 25 HE ARG 25 -6.857 -21.264 8.624
205 HH11 ARG 25 HH11 ARG 25 -9.256 -18.728 8.227
206 HH12 ARG 25 HH12 ARG 25 -10.517 -19.558 9.005
207 HH21 ARG 25 HH21 ARG 25 -8.557 -22.441 9.727
208 HH22 ARG 25 HH22 ARG 25 -10.105 -21.750 9.895
209 H LEU 26 H LEU 26 -4.064 -18.768 3.360
210 HA LEU 26 HA LEU 26 -2.972 -16.206 2.953
211 HB2 LEU 26 HB2 LEU 26 -1.602 -18.019 2.461
212 HB3 LEU 26 HB1 LEU 26 -2.778 -18.779 1.404
213 HG LEU 26 HG LEU 26 -2.315 -17.091 -0.318
214 HD11 LEU 26 HD11 LEU 26 -1.852 -15.199 1.081
215 HD12 LEU 26 HD12 LEU 26 -0.497 -15.475 -0.011
216 HD13 LEU 26 HD13 LEU 26 -0.381 -15.957 1.691
217 HD21 LEU 26 HD21 LEU 26 -0.026 -17.716 -0.839
218 HD22 LEU 26 HD22 LEU 26 -0.925 -19.109 -0.226
219 HD23 LEU 26 HD23 LEU 26 0.208 -18.256 0.822
220 H GLN 27 H GLN 27 -5.420 -18.022 1.194
221 HA GLN 27 HA GLN 27 -5.719 -16.178 -0.890
222 HB2 GLN 27 HB2 GLN 27 -7.750 -18.091 0.255
223 HB3 GLN 27 HB1 GLN 27 -7.977 -17.182 -1.234
224 HG2 GLN 27 HG2 GLN 27 -5.902 -19.295 -0.691
225 HG3 GLN 27 HG1 GLN 27 -7.296 -19.424 -1.761
226 HE21 GLN 27 1HE2 GLN 27 -7.270 -18.284 -3.726
227 HE22 GLN 27 2HE2 GLN 27 -5.815 -17.687 -4.412
228 H GLU 28 H GLU 28 -7.387 -16.369 2.261
229 HA GLU 28 HA GLU 28 -9.034 -14.128 1.886
230 HB2 GLU 28 HB2 GLU 28 -7.826 -15.282 4.387
231 HB3 GLU 28 HB1 GLU 28 -9.065 -14.035 4.368
232 HG2 GLU 28 HG2 GLU 28 -9.341 -16.795 3.242
233 HG3 GLU 28 HG1 GLU 28 -9.932 -16.271 4.812
234 H CYS 29 H CYS 29 -5.820 -14.489 3.291
235 HA CYS 29 HA CYS 29 -5.452 -11.882 4.168
236 HB2 CYS 29 HB2 CYS 29 -4.090 -13.863 4.786
237 HB3 CYS 29 HB1 CYS 29 -3.313 -13.778 3.216
238 H GLN 30 H GLN 30 -4.273 -13.354 1.099
239 HA GLN 30 HA GLN 30 -3.238 -10.857 0.237
240 HB2 GLN 30 HB2 GLN 30 -2.850 -11.874 -1.957
241 HB3 GLN 30 HB1 GLN 30 -2.304 -12.918 -0.659
242 HG2 GLN 30 HG2 GLN 30 -4.254 -14.307 -0.920
243 HG3 GLN 30 HG1 GLN 30 -4.883 -13.249 -2.192
244 HE21 GLN 30 1HE2 GLN 30 -1.515 -14.159 -1.775
245 HE22 GLN 30 2HE2 GLN 30 -1.408 -15.109 -3.210
246 H GLN 31 H GLN 31 -6.375 -12.297 -0.078
247 HA GLN 31 HA GLN 31 -7.397 -10.612 -2.077
248 HB2 GLN 31 HB2 GLN 31 -8.570 -12.637 -1.263
249 HB3 GLN 31 HB1 GLN 31 -8.843 -11.846 0.278
250 HG2 GLN 31 HG2 GLN 31 -10.241 -10.180 -0.808
251 HG3 GLN 31 HG1 GLN 31 -9.931 -10.932 -2.371
252 HE21 GLN 31 1HE2 GLN 31 -11.561 -11.229 0.664
253 HE22 GLN 31 2HE2 GLN 31 -12.603 -12.516 0.210
254 H ARG 32 H ARG 32 -7.223 -10.321 1.446
255 HA ARG 32 HA ARG 32 -8.460 -7.838 1.798
256 HB2 ARG 32 HB2 ARG 32 -6.118 -9.038 3.264
257 HB3 ARG 32 HB1 ARG 32 -6.915 -7.558 3.762
258 HG2 ARG 32 HG2 ARG 32 -8.975 -8.794 4.129
259 HG3 ARG 32 HG1 ARG 32 -8.181 -10.280 3.592
260 HD2 ARG 32 HD2 ARG 32 -6.617 -10.164 5.412
261 HD3 ARG 32 HD1 ARG 32 -7.236 -8.595 5.909
262 HE ARG 32 HE ARG 32 -9.353 -10.364 5.937
263 HH11 ARG 32 HH11 ARG 32 -6.265 -10.009 7.629
264 HH12 ARG 32 HH12 ARG 32 -6.829 -10.643 9.102
265 HH21 ARG 32 HH21 ARG 32 -10.147 -11.241 7.958
266 HH22 ARG 32 HH22 ARG 32 -9.097 -11.376 9.286
267 H CYS 33 H CYS 33 -5.150 -8.649 0.944
268 HA CYS 33 HA CYS 33 -3.992 -6.130 1.031
269 HB2 CYS 33 HB2 CYS 33 -3.340 -8.367 -0.892
270 HB3 CYS 33 HB1 CYS 33 -2.301 -7.006 -0.486
271 H GLN 34 H GLN 34 -5.938 -7.647 -1.476
272 HA GLN 34 HA GLN 34 -5.432 -5.717 -3.460
273 HB2 GLN 34 HB2 GLN 34 -7.835 -7.517 -3.097
274 HB3 GLN 34 HB1 GLN 34 -7.544 -6.542 -4.529
275 HG2 GLN 34 HG2 GLN 34 -5.548 -8.566 -3.573
276 HG3 GLN 34 HG1 GLN 34 -6.905 -9.016 -4.592
277 HE21 GLN 34 1HE2 GLN 34 -5.344 -5.897 -5.068
278 HE22 GLN 34 2HE2 GLN 34 -4.570 -6.325 -6.531
279 H GLN 35 H GLN 35 -8.315 -5.990 -1.271
280 HA GLN 35 HA GLN 35 -9.418 -3.550 -1.895
281 HB2 GLN 35 HB2 GLN 35 -9.443 -5.041 0.731
282 HB3 GLN 35 HB1 GLN 35 -10.432 -3.633 0.394
283 HG2 GLN 35 HG2 GLN 35 -11.907 -5.428 0.017
284 HG3 GLN 35 HG1 GLN 35 -11.268 -4.956 -1.570
285 HE21 GLN 35 1HE2 GLN 35 -10.269 -6.365 -2.806
286 HE22 GLN 35 2HE2 GLN 35 -9.937 -7.994 -2.345
287 H GLU 36 H GLU 36 -6.912 -4.319 0.477
288 HA GLU 36 HA GLU 36 -6.748 -1.773 1.531
289 HB2 GLU 36 HB2 GLU 36 -4.850 -4.044 1.470
290 HB3 GLU 36 HB1 GLU 36 -4.366 -2.503 2.161
291 HG2 GLU 36 HG2 GLU 36 -6.441 -2.665 3.623
292 HG3 GLU 36 HG1 GLU 36 -6.649 -4.298 3.004
293 H TYR 37 H TYR 37 -5.046 -3.205 -1.093
294 HA TYR 37 HA TYR 37 -3.271 -1.146 -1.799
295 HB2 TYR 37 HB2 TYR 37 -3.120 -3.296 -2.863
296 HB3 TYR 37 HB1 TYR 37 -4.730 -3.133 -3.541
297 HD1 TYR 37 HD1 TYR 37 -1.429 -1.355 -3.612
298 HD2 TYR 37 HD2 TYR 37 -4.886 -2.578 -5.746
299 HE1 TYR 37 HE1 TYR 37 -0.438 -0.494 -5.678
300 HE2 TYR 37 HE2 TYR 37 -3.897 -1.712 -7.847
301 HH TYR 37 HH TYR 37 -2.165 0.065 -8.435
302 H GLN 38 H GLN 38 -6.642 -1.431 -2.418
303 HA GLN 38 HA GLN 38 -6.783 0.869 -4.108
304 HB2 GLN 38 HB2 GLN 38 -8.923 -0.686 -2.675
305 HB3 GLN 38 HB1 GLN 38 -9.243 0.616 -3.818
306 HG2 GLN 38 HG2 GLN 38 -8.253 -0.626 -5.605
307 HG3 GLN 38 HG1 GLN 38 -7.685 -1.864 -4.488
308 HE21 GLN 38 1HE2 GLN 38 -8.746 -3.451 -5.595
309 HE22 GLN 38 2HE2 GLN 38 -10.455 -3.676 -5.505
310 H ARG 39 H ARG 39 -6.987 0.375 -0.629
311 HA ARG 39 HA ARG 39 -7.954 3.079 -0.291
312 HB2 ARG 39 HB2 ARG 39 -8.111 2.655 2.095
313 HB3 ARG 39 HB1 ARG 39 -8.778 1.281 1.233
314 HG2 ARG 39 HG2 ARG 39 -6.652 0.090 1.590
315 HG3 ARG 39 HG1 ARG 39 -6.085 1.458 2.527
316 HD2 ARG 39 HD2 ARG 39 -8.547 -0.142 3.191
317 HD3 ARG 39 HD1 ARG 39 -6.991 -0.378 3.968
318 HE ARG 39 HE ARG 39 -8.620 2.069 4.116
319 HH11 ARG 39 HH11 ARG 39 -6.215 -0.096 5.601
320 HH12 ARG 39 HH12 ARG 39 -6.209 0.686 7.097
321 HH21 ARG 39 HH21 ARG 39 -8.597 3.141 6.154
322 HH22 ARG 39 HH22 ARG 39 -7.642 2.580 7.453
323 H GLU 40 H GLU 40 -5.078 1.498 -0.608
324 HA GLU 40 HA GLU 40 -3.501 3.762 0.401
325 HB2 GLU 40 HB2 GLU 40 -2.666 0.904 -0.191
326 HB3 GLU 40 HB1 GLU 40 -1.604 2.168 0.408
327 HG2 GLU 40 HG2 GLU 40 -2.927 2.278 2.470
328 HG3 GLU 40 HG1 GLU 40 -3.962 0.993 1.855
329 H LYS 41 H LYS 41 -4.980 3.736 -2.028
330 HA LYS 41 HA LYS 41 -3.466 2.850 -4.243
331 HB2 LYS 41 HB2 LYS 41 -5.018 4.132 -5.665
332 HB3 LYS 41 HB1 LYS 41 -5.853 3.128 -4.495
333 HG2 LYS 41 HG2 LYS 41 -6.316 5.069 -3.123
334 HG3 LYS 41 HG1 LYS 41 -5.404 6.091 -4.238
335 HD2 LYS 41 HD2 LYS 41 -6.986 5.549 -6.024
336 HD3 LYS 41 HD1 LYS 41 -7.886 4.513 -4.917
337 HE2 LYS 41 HE2 LYS 41 -8.375 6.445 -3.504
338 HE3 LYS 41 HE1 LYS 41 -7.468 7.486 -4.600
339 HZ1 LYS 41 HZ1 LYS 41 -9.052 7.018 -6.332
340 HZ2 LYS 41 HZ2 LYS 41 -9.878 7.562 -4.951
341 HZ3 LYS 41 HZ3 LYS 41 -9.866 5.924 -5.336
342 H GLY 42 H GLY 42 -3.534 5.858 -2.547
343 HA2 GLY 42 HA2 GLY 42 -1.601 6.979 -4.448
344 HA3 GLY 42 HA1 GLY 42 -2.468 7.882 -3.204
345 H GLN 43 H GLN 43 -0.398 8.689 -2.535
346 HA GLN 43 HA GLN 43 1.352 6.742 -1.352
347 HB2 GLN 43 HB2 GLN 43 2.815 8.665 -0.754
348 HB3 GLN 43 HB1 GLN 43 2.446 8.600 -2.465
349 HG2 GLN 43 HG2 GLN 43 0.769 10.380 -2.140
350 HG3 GLN 43 HG1 GLN 43 1.206 10.449 -0.438
351 HE21 GLN 43 1HE2 GLN 43 2.152 11.170 -3.658
352 HE22 GLN 43 2HE2 GLN 43 3.478 12.204 -3.268
353 H HIS 44 H HIS 44 -0.071 5.863 0.030
354 HA HIS 44 HA HIS 44 -1.637 7.134 1.948
355 HB2 HIS 44 HB2 HIS 44 -1.825 4.765 1.136
356 HB3 HIS 44 HB1 HIS 44 -0.464 4.359 2.165
357 HD1 HIS 44 HD1 HIS 44 -4.161 4.866 2.236
358 HD2 HIS 44 HD2 HIS 44 -1.034 4.449 4.950
359 HE1 HIS 44 HE1 HIS 44 -5.217 4.272 4.426
360 H GLN 45 H GLN 45 1.727 6.020 2.210
361 HA GLN 45 HA GLN 45 1.883 7.039 4.972
362 HB2 GLN 45 HB2 GLN 45 3.917 5.546 3.325
363 HB3 GLN 45 HB1 GLN 45 4.002 5.911 5.031
364 HG2 GLN 45 HG2 GLN 45 2.156 4.386 5.448
365 HG3 GLN 45 HG1 GLN 45 2.055 4.040 3.716
366 HE21 GLN 45 1HE2 GLN 45 3.870 3.566 6.609
367 HE22 GLN 45 2HE2 GLN 45 4.923 2.344 5.981
368 H GLY 46 H GLY 46 1.850 8.438 2.200
369 HA2 GLY 46 HA2 GLY 46 2.988 10.175 1.181
370 HA3 GLY 46 HA1 GLY 46 4.158 10.138 2.516
371 H GLU 47 H GLU 47 5.927 10.131 0.946
372 HA GLU 47 HA GLU 47 6.078 7.623 -0.461
373 HB2 GLU 47 HB2 GLU 47 7.964 9.972 -0.423
374 HB3 GLU 47 HB1 GLU 47 8.267 8.486 -1.313
375 HG2 GLU 47 HG2 GLU 47 6.078 8.880 -2.487
376 HG3 GLU 47 HG1 GLU 47 6.068 10.479 -1.747
377 H THR 48 H THR 48 6.399 5.997 0.827
378 HA THR 48 HA THR 48 7.626 5.866 3.242
379 HB THR 48 HB THR 48 7.672 3.674 1.172
380 HG1 THR 48 HG1 THR 48 5.428 3.566 2.565
381 HG21 THR 48 HG21 THR 48 8.694 3.181 3.372
382 HG22 THR 48 HG22 THR 48 7.218 2.246 3.126
383 HG23 THR 48 HG23 THR 48 7.198 3.669 4.166
384 H ASN 49 H ASN 49 9.024 5.641 0.041
385 HA ASN 49 HA ASN 49 11.698 5.397 1.202
386 HB2 ASN 49 HB2 ASN 49 10.665 4.198 -1.386
387 HB3 ASN 49 HB1 ASN 49 12.346 4.162 -0.870
388 HD21 ASN 49 HD21 ASN 49 12.940 2.789 0.813
389 HD22 ASN 49 HD22 ASN 49 11.921 1.513 1.376
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 10.291 3.092 -14.479
2 H2 ARG 1 HT2 ARG 1 11.092 4.426 -13.845
3 H3 ARG 1 HT3 ARG 1 10.147 4.600 -15.243
4 HA ARG 1 HA ARG 1 9.002 5.476 -13.343
5 HB2 ARG 1 HB2 ARG 1 7.599 4.472 -15.052
6 HB3 ARG 1 HB1 ARG 1 7.899 2.870 -14.405
7 HG2 ARG 1 HG2 ARG 1 6.722 3.472 -12.348
8 HG3 ARG 1 HG1 ARG 1 6.403 5.074 -13.005
9 HD2 ARG 1 HD2 ARG 1 4.479 3.549 -13.220
10 HD3 ARG 1 HD1 ARG 1 5.071 4.130 -14.771
11 HE ARG 1 HE ARG 1 6.017 1.994 -15.180
12 HH11 ARG 1 HH11 ARG 1 4.037 2.000 -12.218
13 HH12 ARG 1 HH12 ARG 1 3.656 0.343 -12.376
14 HH21 ARG 1 HH21 ARG 1 5.456 -0.248 -15.303
15 HH22 ARG 1 HH22 ARG 1 4.438 -0.939 -14.112
16 H GLY 2 H GLY 2 9.088 5.481 -11.210
17 HA2 GLY 2 HA2 GLY 2 9.835 3.099 -9.764
18 HA3 GLY 2 HA1 GLY 2 9.469 4.689 -9.079
19 HA PRO 3 HA PRO 3 5.649 1.647 -9.446
20 HB2 PRO 3 HB2 PRO 3 5.874 0.262 -7.073
21 HB3 PRO 3 HB1 PRO 3 6.401 -0.378 -8.634
22 HG2 PRO 3 HG2 PRO 3 7.991 0.961 -6.496
23 HG3 PRO 3 HG1 PRO 3 8.400 -0.487 -7.443
24 HD2 PRO 3 HD2 PRO 3 9.473 1.885 -8.032
25 HD3 PRO 3 HD1 PRO 3 8.973 0.773 -9.328
26 H ASP 4 H ASP 4 3.788 2.038 -8.229
27 HA ASP 4 HA ASP 4 3.884 4.509 -6.772
28 HB2 ASP 4 HB2 ASP 4 1.901 3.711 -8.238
29 HB3 ASP 4 HB1 ASP 4 1.551 2.658 -6.852
30 H LYS 5 H LYS 5 3.044 4.723 -4.703
31 HA LYS 5 HA LYS 5 4.402 2.976 -2.898
32 HB2 LYS 5 HB2 LYS 5 3.435 4.408 -1.085
33 HB3 LYS 5 HB1 LYS 5 4.379 5.276 -2.288
34 HG2 LYS 5 HG2 LYS 5 2.298 6.044 -3.326
35 HG3 LYS 5 HG1 LYS 5 1.373 5.164 -2.108
36 HD2 LYS 5 HD2 LYS 5 2.316 6.518 -0.345
37 HD3 LYS 5 HD1 LYS 5 3.378 7.333 -1.476
38 HE2 LYS 5 HE2 LYS 5 0.360 7.457 -1.492
39 HE3 LYS 5 HE1 LYS 5 1.435 8.708 -0.874
40 HZ1 LYS 5 HZ1 LYS 5 0.717 9.269 -3.080
41 HZ2 LYS 5 HZ2 LYS 5 1.214 7.789 -3.684
42 HZ3 LYS 5 HZ3 LYS 5 2.361 8.895 -3.155
43 H SER 6 H SER 6 1.128 3.398 -3.891
44 HA SER 6 HA SER 6 -0.171 1.820 -1.961
45 HB2 SER 6 HB2 SER 6 -0.920 2.048 -4.861
46 HB3 SER 6 HB1 SER 6 -1.988 1.886 -3.462
47 HG SER 6 HG SER 6 -0.617 4.080 -4.458
48 H TYR 7 H TYR 7 1.378 1.107 -5.050
49 HA TYR 7 HA TYR 7 0.539 -1.628 -5.068
50 HB2 TYR 7 HB2 TYR 7 1.048 -0.219 -7.139
51 HB3 TYR 7 HB1 TYR 7 2.752 -0.449 -6.754
52 HD1 TYR 7 HD1 TYR 7 3.811 -2.550 -7.141
53 HD2 TYR 7 HD2 TYR 7 -0.343 -2.128 -7.814
54 HE1 TYR 7 HE1 TYR 7 3.778 -4.742 -8.298
55 HE2 TYR 7 HE2 TYR 7 -0.400 -4.291 -8.976
56 HH TYR 7 HH TYR 7 2.069 -6.500 -8.741
57 H LYS 8 H LYS 8 3.344 0.145 -4.031
58 HA LYS 8 HA LYS 8 4.985 -2.079 -3.527
59 HB2 LYS 8 HB2 LYS 8 4.923 0.642 -2.220
60 HB3 LYS 8 HB1 LYS 8 6.176 -0.559 -1.939
61 HG2 LYS 8 HG2 LYS 8 6.849 -0.448 -4.262
62 HG3 LYS 8 HG1 LYS 8 5.530 0.669 -4.612
63 HD2 LYS 8 HD2 LYS 8 7.657 1.856 -4.369
64 HD3 LYS 8 HD1 LYS 8 6.520 2.325 -3.107
65 HE2 LYS 8 HE2 LYS 8 7.632 0.814 -1.539
66 HE3 LYS 8 HE1 LYS 8 8.755 0.322 -2.806
67 HZ1 LYS 8 HZ1 LYS 8 9.615 2.576 -2.862
68 HZ2 LYS 8 HZ2 LYS 8 9.669 1.981 -1.286
69 HZ3 LYS 8 HZ3 LYS 8 8.464 3.063 -1.726
70 H ARG 9 H ARG 9 2.701 -0.252 -1.523
71 HA ARG 9 HA ARG 9 2.964 -1.642 0.881
72 HB2 ARG 9 HB2 ARG 9 0.521 -0.320 -0.310
73 HB3 ARG 9 HB1 ARG 9 0.583 -0.942 1.329
74 HG2 ARG 9 HG2 ARG 9 2.332 0.647 1.884
75 HG3 ARG 9 HG1 ARG 9 2.342 1.233 0.220
76 HD2 ARG 9 HD2 ARG 9 1.057 2.719 1.677
77 HD3 ARG 9 HD1 ARG 9 0.028 1.978 0.452
78 HE ARG 9 HE ARG 9 0.064 0.494 2.868
79 HH11 ARG 9 HH11 ARG 9 -1.363 3.365 1.406
80 HH12 ARG 9 HH12 ARG 9 -2.777 3.354 2.358
81 HH21 ARG 9 HH21 ARG 9 -1.889 0.422 4.157
82 HH22 ARG 9 HH22 ARG 9 -3.119 1.580 3.946
83 H LEU 10 H LEU 10 0.889 -2.217 -1.871
84 HA LEU 10 HA LEU 10 -0.445 -4.486 -1.007
85 HB2 LEU 10 HB2 LEU 10 -1.148 -3.413 -3.013
86 HB3 LEU 10 HB1 LEU 10 0.418 -3.642 -3.758
87 HG LEU 10 HG LEU 10 0.037 -6.033 -3.920
88 HD11 LEU 10 HD11 LEU 10 -2.617 -5.480 -2.603
89 HD12 LEU 10 HD12 LEU 10 -1.274 -6.473 -1.998
90 HD13 LEU 10 HD13 LEU 10 -2.177 -6.989 -3.413
91 HD21 LEU 10 HD21 LEU 10 -2.254 -4.407 -5.006
92 HD22 LEU 10 HD22 LEU 10 -1.774 -6.011 -5.561
93 HD23 LEU 10 HD23 LEU 10 -0.679 -4.644 -5.767
94 H GLN 11 H GLN 11 2.648 -4.274 -2.754
95 HA GLN 11 HA GLN 11 3.209 -6.988 -3.015
96 HB2 GLN 11 HB2 GLN 11 5.178 -4.757 -2.488
97 HB3 GLN 11 HB1 GLN 11 5.588 -6.352 -3.096
98 HG2 GLN 11 HG2 GLN 11 4.323 -5.926 -5.110
99 HG3 GLN 11 HG1 GLN 11 3.839 -4.352 -4.486
100 HE21 GLN 11 1HE2 GLN 11 4.765 -3.218 -6.044
101 HE22 GLN 11 2HE2 GLN 11 6.477 -3.078 -6.310
102 H GLU 12 H GLU 12 4.231 -4.762 -0.474
103 HA GLU 12 HA GLU 12 5.528 -6.549 1.209
104 HB2 GLU 12 HB2 GLU 12 3.835 -4.203 2.021
105 HB3 GLU 12 HB1 GLU 12 5.100 -4.943 2.990
106 HG2 GLU 12 HG2 GLU 12 6.768 -4.212 1.394
107 HG3 GLU 12 HG1 GLU 12 5.506 -3.539 0.360
108 H CYS 13 H CYS 13 2.134 -5.562 1.181
109 HA CYS 13 HA CYS 13 1.279 -7.011 3.406
110 HB2 CYS 13 HB2 CYS 13 -0.008 -5.191 2.244
111 HB3 CYS 13 HB1 CYS 13 -0.393 -6.345 0.975
112 H GLN 14 H GLN 14 1.039 -7.936 -0.055
113 HA GLN 14 HA GLN 14 -0.046 -10.466 0.574
114 HB2 GLN 14 HB2 GLN 14 0.449 -11.082 -1.817
115 HB3 GLN 14 HB1 GLN 14 -0.536 -9.647 -1.609
116 HG2 GLN 14 HG2 GLN 14 1.286 -8.235 -2.105
117 HG3 GLN 14 HG1 GLN 14 2.431 -9.588 -2.137
118 HE21 GLN 14 1HE2 GLN 14 -0.047 -7.862 -3.776
119 HE22 GLN 14 2HE2 GLN 14 0.149 -8.628 -5.316
120 H ARG 15 H ARG 15 3.281 -9.416 0.051
121 HA ARG 15 HA ARG 15 4.411 -11.994 0.016
122 HB2 ARG 15 HB2 ARG 15 5.605 -9.336 0.803
123 HB3 ARG 15 HB1 ARG 15 6.534 -10.822 0.676
124 HG2 ARG 15 HG2 ARG 15 5.001 -9.546 -1.582
125 HG3 ARG 15 HG1 ARG 15 6.735 -9.379 -1.313
126 HD2 ARG 15 HD2 ARG 15 5.258 -11.965 -1.835
127 HD3 ARG 15 HD1 ARG 15 6.247 -11.093 -2.997
128 HE ARG 15 HE ARG 15 8.015 -11.422 -1.116
129 HH11 ARG 15 HH11 ARG 15 5.673 -13.821 -2.271
130 HH12 ARG 15 HH12 ARG 15 6.698 -15.144 -1.937
131 HH21 ARG 15 HH21 ARG 15 9.360 -13.241 -0.656
132 HH22 ARG 15 HH22 ARG 15 8.819 -14.821 -1.006
133 H ARG 16 H ARG 16 3.660 -9.799 2.665
134 HA ARG 16 HA ARG 16 4.824 -11.402 4.689
135 HB2 ARG 16 HB2 ARG 16 2.538 -9.429 4.891
136 HB3 ARG 16 HB1 ARG 16 3.355 -10.153 6.266
137 HG2 ARG 16 HG2 ARG 16 5.430 -9.085 5.604
138 HG3 ARG 16 HG1 ARG 16 4.623 -8.362 4.215
139 HD2 ARG 16 HD2 ARG 16 4.770 -6.741 6.031
140 HD3 ARG 16 HD1 ARG 16 3.091 -7.176 5.717
141 HE ARG 16 HE ARG 16 4.280 -8.784 7.730
142 HH11 ARG 16 HH11 ARG 16 2.759 -5.606 7.210
143 HH12 ARG 16 HH12 ARG 16 2.206 -5.464 8.819
144 HH21 ARG 16 HH21 ARG 16 3.528 -8.553 9.944
145 HH22 ARG 16 HH22 ARG 16 2.624 -7.181 10.380
146 H CYS 17 H CYS 17 1.617 -11.222 3.355
147 HA CYS 17 HA CYS 17 0.379 -13.166 4.918
148 HB2 CYS 17 HB2 CYS 17 -0.083 -12.436 2.034
149 HB3 CYS 17 HB1 CYS 17 -1.126 -13.517 2.944
150 H GLN 18 H GLN 18 2.378 -13.521 2.025
151 HA GLN 18 HA GLN 18 1.980 -16.295 1.724
152 HB2 GLN 18 HB2 GLN 18 4.247 -14.542 0.798
153 HB3 GLN 18 HB1 GLN 18 4.017 -16.212 0.301
154 HG2 GLN 18 HG2 GLN 18 1.771 -15.542 -0.558
155 HG3 GLN 18 HG1 GLN 18 2.207 -13.890 -0.207
156 HE21 GLN 18 1HE2 GLN 18 2.977 -16.616 -2.219
157 HE22 GLN 18 2HE2 GLN 18 3.827 -15.734 -3.431
158 H SER 19 H SER 19 3.895 -14.524 3.909
159 HA SER 19 HA SER 19 5.630 -16.767 4.433
160 HB2 SER 19 HB2 SER 19 6.482 -14.410 4.519
161 HB3 SER 19 HB1 SER 19 5.426 -14.117 5.895
162 HG SER 19 HG SER 19 6.822 -15.046 7.144
163 H GLU 20 H GLU 20 3.168 -14.873 6.260
164 HA GLU 20 HA GLU 20 3.250 -16.693 8.454
165 HB2 GLU 20 HB2 GLU 20 1.535 -14.345 7.789
166 HB3 GLU 20 HB1 GLU 20 1.546 -15.183 9.337
167 HG2 GLU 20 HG2 GLU 20 3.977 -13.981 8.100
168 HG3 GLU 20 HG1 GLU 20 2.925 -13.079 9.175
169 H GLN 21 H GLN 21 1.242 -16.421 5.579
170 HA GLN 21 HA GLN 21 -0.658 -18.260 6.847
171 HB2 GLN 21 HB2 GLN 21 -1.337 -16.153 4.797
172 HB3 GLN 21 HB1 GLN 21 -2.461 -17.230 5.598
173 HG2 GLN 21 HG2 GLN 21 -0.891 -14.986 6.864
174 HG3 GLN 21 HG1 GLN 21 -2.619 -15.009 6.539
175 HE21 GLN 21 1HE2 GLN 21 -1.269 -14.576 9.014
176 HE22 GLN 21 2HE2 GLN 21 -1.741 -15.813 10.120
177 H GLN 22 H GLN 22 -1.704 -19.734 5.405
178 HA GLN 22 HA GLN 22 -0.845 -19.883 2.654
179 HB2 GLN 22 HB2 GLN 22 -0.287 -22.270 2.821
180 HB3 GLN 22 HB1 GLN 22 0.837 -21.248 3.691
181 HG2 GLN 22 HG2 GLN 22 -0.280 -21.838 5.784
182 HG3 GLN 22 HG1 GLN 22 -1.383 -22.882 4.891
183 HE21 GLN 22 1HE2 GLN 22 2.007 -22.546 4.105
184 HE22 GLN 22 2HE2 GLN 22 2.454 -24.136 4.589
185 H GLY 23 H GLY 23 -2.075 -21.598 1.525
186 HA2 GLY 23 HA2 GLY 23 -4.087 -22.459 0.857
187 HA3 GLY 23 HA1 GLY 23 -4.369 -22.836 2.544
188 H GLN 24 H GLN 24 -6.382 -22.227 2.931
189 HA GLN 24 HA GLN 24 -7.809 -20.137 1.742
190 HB2 GLN 24 HB2 GLN 24 -8.847 -22.053 2.883
191 HB3 GLN 24 HB1 GLN 24 -8.229 -21.480 4.421
192 HG2 GLN 24 HG2 GLN 24 -10.561 -20.963 4.230
193 HG3 GLN 24 HG1 GLN 24 -9.621 -19.473 4.207
194 HE21 GLN 24 1HE2 GLN 24 -11.203 -18.334 3.203
195 HE22 GLN 24 2HE2 GLN 24 -11.634 -18.563 1.553
196 H ARG 25 H ARG 25 -5.802 -20.245 4.647
197 HA ARG 25 HA ARG 25 -6.413 -17.712 5.693
198 HB2 ARG 25 HB2 ARG 25 -3.902 -19.374 5.806
199 HB3 ARG 25 HB1 ARG 25 -4.149 -17.909 6.741
200 HG2 ARG 25 HG2 ARG 25 -6.004 -20.248 6.911
201 HG3 ARG 25 HG1 ARG 25 -4.557 -20.129 7.905
202 HD2 ARG 25 HD2 ARG 25 -6.882 -18.187 7.819
203 HD3 ARG 25 HD1 ARG 25 -6.502 -19.309 9.125
204 HE ARG 25 HE ARG 25 -4.339 -17.559 8.549
205 HH11 ARG 25 HH11 ARG 25 -7.320 -17.838 10.422
206 HH12 ARG 25 HH12 ARG 25 -6.988 -16.511 11.434
207 HH21 ARG 25 HH21 ARG 25 -3.856 -15.757 9.947
208 HH22 ARG 25 HH22 ARG 25 -4.947 -15.310 11.171
209 H LEU 26 H LEU 26 -4.110 -18.790 3.280
210 HA LEU 26 HA LEU 26 -2.859 -16.258 2.933
211 HB2 LEU 26 HB2 LEU 26 -1.666 -18.160 2.286
212 HB3 LEU 26 HB1 LEU 26 -2.926 -18.712 1.185
213 HG LEU 26 HG LEU 26 -2.411 -16.723 -0.242
214 HD11 LEU 26 HD11 LEU 26 -0.305 -15.535 0.135
215 HD12 LEU 26 HD12 LEU 26 -0.131 -16.362 1.689
216 HD13 LEU 26 HD13 LEU 26 -1.478 -15.258 1.419
217 HD21 LEU 26 HD21 LEU 26 -0.313 -17.613 -1.131
218 HD22 LEU 26 HD22 LEU 26 -1.463 -18.896 -0.755
219 HD23 LEU 26 HD23 LEU 26 -0.109 -18.578 0.330
220 H GLN 27 H GLN 27 -5.389 -18.001 1.207
221 HA GLN 27 HA GLN 27 -5.894 -16.297 -0.900
222 HB2 GLN 27 HB2 GLN 27 -7.927 -17.790 0.762
223 HB3 GLN 27 HB1 GLN 27 -8.246 -17.058 -0.798
224 HG2 GLN 27 HG2 GLN 27 -6.684 -18.582 -1.851
225 HG3 GLN 27 HG1 GLN 27 -6.306 -19.296 -0.284
226 HE21 GLN 27 1HE2 GLN 27 -9.533 -18.300 -1.242
227 HE22 GLN 27 2HE2 GLN 27 -10.184 -19.893 -1.307
228 H GLU 28 H GLU 28 -7.476 -16.244 2.259
229 HA GLU 28 HA GLU 28 -8.887 -13.898 1.870
230 HB2 GLU 28 HB2 GLU 28 -8.018 -15.403 4.285
231 HB3 GLU 28 HB1 GLU 28 -8.894 -13.883 4.423
232 HG2 GLU 28 HG2 GLU 28 -9.870 -16.193 2.796
233 HG3 GLU 28 HG1 GLU 28 -10.284 -15.966 4.494
234 H CYS 29 H CYS 29 -5.713 -14.417 3.305
235 HA CYS 29 HA CYS 29 -5.407 -11.797 4.252
236 HB2 CYS 29 HB2 CYS 29 -4.100 -13.847 4.942
237 HB3 CYS 29 HB1 CYS 29 -3.186 -13.671 3.458
238 H GLN 30 H GLN 30 -4.132 -13.319 1.246
239 HA GLN 30 HA GLN 30 -3.004 -10.825 0.450
240 HB2 GLN 30 HB2 GLN 30 -2.472 -11.869 -1.701
241 HB3 GLN 30 HB1 GLN 30 -1.979 -12.870 -0.348
242 HG2 GLN 30 HG2 GLN 30 -3.863 -14.330 -0.689
243 HG3 GLN 30 HG1 GLN 30 -4.480 -13.287 -1.969
244 HE21 GLN 30 1HE2 GLN 30 -1.086 -13.994 -1.559
245 HE22 GLN 30 2HE2 GLN 30 -0.917 -14.965 -2.964
246 H GLN 31 H GLN 31 -6.096 -12.354 -0.173
247 HA GLN 31 HA GLN 31 -6.854 -10.643 -2.298
248 HB2 GLN 31 HB2 GLN 31 -7.985 -12.788 -1.734
249 HB3 GLN 31 HB1 GLN 31 -8.653 -12.020 -0.306
250 HG2 GLN 31 HG2 GLN 31 -9.809 -10.396 -1.767
251 HG3 GLN 31 HG1 GLN 31 -9.197 -11.275 -3.168
252 HE21 GLN 31 1HE2 GLN 31 -11.924 -10.815 -2.379
253 HE22 GLN 31 2HE2 GLN 31 -12.644 -12.370 -2.176
254 H ARG 32 H ARG 32 -7.073 -10.398 1.218
255 HA ARG 32 HA ARG 32 -8.686 -8.064 1.060
256 HB2 ARG 32 HB2 ARG 32 -8.439 -7.790 3.418
257 HB3 ARG 32 HB1 ARG 32 -8.655 -9.502 3.083
258 HG2 ARG 32 HG2 ARG 32 -6.216 -9.794 3.392
259 HG3 ARG 32 HG1 ARG 32 -6.117 -8.090 3.853
260 HD2 ARG 32 HD2 ARG 32 -7.781 -8.528 5.640
261 HD3 ARG 32 HD1 ARG 32 -7.734 -10.232 5.200
262 HE ARG 32 HE ARG 32 -5.170 -9.142 5.843
263 HH11 ARG 32 HH11 ARG 32 -8.111 -10.620 7.179
264 HH12 ARG 32 HH12 ARG 32 -7.353 -11.116 8.628
265 HH21 ARG 32 HH21 ARG 32 -4.173 -9.779 7.886
266 HH22 ARG 32 HH22 ARG 32 -5.103 -10.659 9.020
267 H CYS 33 H CYS 33 -5.313 -8.699 1.066
268 HA CYS 33 HA CYS 33 -4.359 -6.060 1.355
269 HB2 CYS 33 HB2 CYS 33 -3.199 -8.293 -0.333
270 HB3 CYS 33 HB1 CYS 33 -2.365 -6.802 0.069
271 H GLN 34 H GLN 34 -5.528 -7.866 -1.460
272 HA GLN 34 HA GLN 34 -5.001 -5.942 -3.432
273 HB2 GLN 34 HB2 GLN 34 -7.257 -7.947 -3.273
274 HB3 GLN 34 HB1 GLN 34 -6.839 -7.044 -4.715
275 HG2 GLN 34 HG2 GLN 34 -5.122 -9.085 -3.314
276 HG3 GLN 34 HG1 GLN 34 -5.990 -9.311 -4.827
277 HE21 GLN 34 1HE2 GLN 34 -3.219 -9.628 -4.334
278 HE22 GLN 34 2HE2 GLN 34 -2.363 -8.530 -5.365
279 H GLN 35 H GLN 35 -7.801 -6.460 -1.371
280 HA GLN 35 HA GLN 35 -9.305 -4.301 -2.372
281 HB2 GLN 35 HB2 GLN 35 -9.438 -5.692 0.296
282 HB3 GLN 35 HB1 GLN 35 -10.591 -4.463 -0.214
283 HG2 GLN 35 HG2 GLN 35 -10.090 -7.115 -1.550
284 HG3 GLN 35 HG1 GLN 35 -11.493 -6.677 -0.575
285 HE21 GLN 35 1HE2 GLN 35 -9.905 -6.295 -3.631
286 HE22 GLN 35 2HE2 GLN 35 -11.186 -5.508 -4.448
287 H GLU 36 H GLU 36 -7.110 -4.510 0.398
288 HA GLU 36 HA GLU 36 -7.347 -1.904 1.366
289 HB2 GLU 36 HB2 GLU 36 -5.003 -3.766 1.273
290 HB3 GLU 36 HB1 GLU 36 -4.946 -2.223 2.100
291 HG2 GLU 36 HG2 GLU 36 -6.797 -4.530 2.702
292 HG3 GLU 36 HG1 GLU 36 -5.390 -4.054 3.650
293 H TYR 37 H TYR 37 -5.258 -3.192 -1.082
294 HA TYR 37 HA TYR 37 -3.828 -0.966 -1.878
295 HB2 TYR 37 HB2 TYR 37 -3.298 -3.143 -2.742
296 HB3 TYR 37 HB1 TYR 37 -4.885 -3.301 -3.471
297 HD1 TYR 37 HD1 TYR 37 -1.976 -0.967 -3.605
298 HD2 TYR 37 HD2 TYR 37 -4.990 -3.034 -5.764
299 HE1 TYR 37 HE1 TYR 37 -1.058 -0.108 -5.705
300 HE2 TYR 37 HE2 TYR 37 -4.068 -2.167 -7.876
301 HH TYR 37 HH TYR 37 -2.734 -0.347 -8.635
302 H GLN 38 H GLN 38 -6.932 -2.103 -3.155
303 HA GLN 38 HA GLN 38 -7.278 0.091 -4.919
304 HB2 GLN 38 HB2 GLN 38 -9.346 -1.771 -3.764
305 HB3 GLN 38 HB1 GLN 38 -9.608 -0.689 -5.123
306 HG2 GLN 38 HG2 GLN 38 -7.946 -1.922 -6.418
307 HG3 GLN 38 HG1 GLN 38 -7.669 -2.990 -5.042
308 HE21 GLN 38 1HE2 GLN 38 -8.603 -3.594 -7.725
309 HE22 GLN 38 2HE2 GLN 38 -10.123 -4.396 -7.532
310 H ARG 39 H ARG 39 -8.093 -0.402 -1.600
311 HA ARG 39 HA ARG 39 -9.922 1.775 -1.356
312 HB2 ARG 39 HB2 ARG 39 -8.342 0.307 0.743
313 HB3 ARG 39 HB1 ARG 39 -9.571 1.506 1.092
314 HG2 ARG 39 HG2 ARG 39 -11.253 0.086 0.037
315 HG3 ARG 39 HG1 ARG 39 -10.008 -1.117 -0.316
316 HD2 ARG 39 HD2 ARG 39 -11.206 -1.748 1.693
317 HD3 ARG 39 HD1 ARG 39 -9.546 -1.307 2.098
318 HE ARG 39 HE ARG 39 -11.551 0.771 2.302
319 HH11 ARG 39 HH11 ARG 39 -9.440 -1.524 4.069
320 HH12 ARG 39 HH12 ARG 39 -9.810 -0.835 5.579
321 HH21 ARG 39 HH21 ARG 39 -11.972 1.673 4.368
322 HH22 ARG 39 HH22 ARG 39 -11.251 1.022 5.765
323 H GLU 40 H GLU 40 -6.489 1.407 -0.493
324 HA GLU 40 HA GLU 40 -6.484 4.280 0.105
325 HB2 GLU 40 HB2 GLU 40 -4.624 2.127 1.054
326 HB3 GLU 40 HB1 GLU 40 -4.516 3.830 1.469
327 HG2 GLU 40 HG2 GLU 40 -6.794 3.648 2.447
328 HG3 GLU 40 HG1 GLU 40 -6.694 1.906 2.184
329 H LYS 41 H LYS 41 -6.115 3.098 -2.570
330 HA LYS 41 HA LYS 41 -3.335 3.452 -3.129
331 HB2 LYS 41 HB2 LYS 41 -3.978 3.268 -5.537
332 HB3 LYS 41 HB1 LYS 41 -4.561 1.937 -4.551
333 HG2 LYS 41 HG2 LYS 41 -6.779 2.909 -4.507
334 HG3 LYS 41 HG1 LYS 41 -6.208 4.277 -5.465
335 HD2 LYS 41 HD2 LYS 41 -5.658 2.772 -7.294
336 HD3 LYS 41 HD1 LYS 41 -6.191 1.390 -6.333
337 HE2 LYS 41 HE2 LYS 41 -8.439 2.321 -6.233
338 HE3 LYS 41 HE1 LYS 41 -7.912 3.715 -7.171
339 HZ1 LYS 41 HZ1 LYS 41 -7.927 0.899 -8.095
340 HZ2 LYS 41 HZ2 LYS 41 -7.418 2.215 -9.018
341 HZ3 LYS 41 HZ3 LYS 41 -9.020 2.089 -8.539
342 H GLY 42 H GLY 42 -6.201 5.456 -3.796
343 HA2 GLY 42 HA2 GLY 42 -6.354 7.723 -4.214
344 HA3 GLY 42 HA1 GLY 42 -4.668 7.876 -3.713
345 H GLN 43 H GLN 43 -3.051 7.185 -5.215
346 HA GLN 43 HA GLN 43 -3.649 7.944 -7.967
347 HB2 GLN 43 HB2 GLN 43 -0.984 7.234 -6.703
348 HB3 GLN 43 HB1 GLN 43 -1.232 7.967 -8.271
349 HG2 GLN 43 HG2 GLN 43 -1.802 9.247 -5.605
350 HG3 GLN 43 HG1 GLN 43 -0.422 9.580 -6.641
351 HE21 GLN 43 1HE2 GLN 43 -2.101 9.499 -9.087
352 HE22 GLN 43 2HE2 GLN 43 -2.994 10.964 -9.068
353 H HIS 44 H HIS 44 -2.636 6.470 -9.675
354 HA HIS 44 HA HIS 44 -2.132 3.778 -8.953
355 HB2 HIS 44 HB2 HIS 44 -4.695 4.026 -8.932
356 HB3 HIS 44 HB1 HIS 44 -4.563 4.330 -10.660
357 HD1 HIS 44 HD1 HIS 44 -4.322 2.260 -12.177
358 HD2 HIS 44 HD2 HIS 44 -3.963 1.437 -8.130
359 HE1 HIS 44 HE1 HIS 44 -4.287 -0.253 -11.979
360 H GLN 45 H GLN 45 -0.566 3.377 -10.275
361 HA GLN 45 HA GLN 45 -0.208 4.833 -12.751
362 HB2 GLN 45 HB2 GLN 45 1.436 2.623 -11.529
363 HB3 GLN 45 HB1 GLN 45 1.888 3.610 -12.902
364 HG2 GLN 45 HG2 GLN 45 2.042 5.561 -11.505
365 HG3 GLN 45 HG1 GLN 45 1.441 4.649 -10.117
366 HE21 GLN 45 1HE2 GLN 45 3.975 6.033 -10.484
367 HE22 GLN 45 2HE2 GLN 45 5.204 4.845 -10.227
368 H GLY 46 H GLY 46 -1.839 4.052 -14.070
369 HA2 GLY 46 HA2 GLY 46 -1.313 1.423 -15.199
370 HA3 GLY 46 HA1 GLY 46 -2.877 1.594 -14.415
371 H GLU 47 H GLU 47 -4.380 3.021 -15.256
372 HA GLU 47 HA GLU 47 -4.184 3.270 -18.135
373 HB2 GLU 47 HB2 GLU 47 -6.497 3.893 -16.296
374 HB3 GLU 47 HB1 GLU 47 -6.567 3.775 -18.049
375 HG2 GLU 47 HG2 GLU 47 -5.825 1.395 -17.828
376 HG3 GLU 47 HG1 GLU 47 -6.033 1.562 -16.088
377 H THR 48 H THR 48 -2.766 4.944 -16.138
378 HA THR 48 HA THR 48 -3.577 7.636 -16.287
379 HB THR 48 HB THR 48 -0.764 6.642 -15.981
380 HG1 THR 48 HG1 THR 48 -2.252 6.524 -13.657
381 HG21 THR 48 HG21 THR 48 -2.447 8.698 -14.518
382 HG22 THR 48 HG22 THR 48 -1.215 9.047 -15.727
383 HG23 THR 48 HG23 THR 48 -0.756 8.346 -14.177
384 H ASN 49 H ASN 49 -2.116 5.407 -18.405
385 HA ASN 49 HA ASN 49 -1.064 7.473 -20.190
386 HB2 ASN 49 HB2 ASN 49 0.544 5.726 -19.527
387 HB3 ASN 49 HB1 ASN 49 -0.590 4.491 -20.048
388 HD21 ASN 49 HD21 ASN 49 -0.772 4.044 -22.195
389 HD22 ASN 49 HD22 ASN 49 0.319 4.634 -23.398
Start of MODEL 11
1 H1 ARG 1 HT1 ARG 1 6.369 8.084 -9.674
2 H2 ARG 1 HT2 ARG 1 5.157 7.364 -10.566
3 H3 ARG 1 HT3 ARG 1 5.723 8.874 -11.032
4 HA ARG 1 HA ARG 1 6.623 7.166 -12.469
5 HB2 ARG 1 HB2 ARG 1 8.680 8.100 -10.446
6 HB3 ARG 1 HB1 ARG 1 9.068 7.407 -12.004
7 HG2 ARG 1 HG2 ARG 1 7.586 9.990 -11.555
8 HG3 ARG 1 HG1 ARG 1 9.290 9.831 -11.980
9 HD2 ARG 1 HD2 ARG 1 6.958 8.912 -13.664
10 HD3 ARG 1 HD1 ARG 1 7.908 10.368 -13.934
11 HE ARG 1 HE ARG 1 9.533 8.037 -13.867
12 HH11 ARG 1 HH11 ARG 1 7.387 9.941 -15.966
13 HH12 ARG 1 HH12 ARG 1 8.027 9.278 -17.403
14 HH21 ARG 1 HH21 ARG 1 10.374 7.145 -15.889
15 HH22 ARG 1 HH22 ARG 1 9.683 7.664 -17.349
16 H GLY 2 H GLY 2 6.643 5.020 -12.608
17 HA2 GLY 2 HA2 GLY 2 7.176 2.834 -12.077
18 HA3 GLY 2 HA1 GLY 2 7.959 3.437 -10.618
19 HA PRO 3 HA PRO 3 4.018 1.552 -9.179
20 HB2 PRO 3 HB2 PRO 3 5.078 0.238 -7.084
21 HB3 PRO 3 HB1 PRO 3 5.160 -0.440 -8.717
22 HG2 PRO 3 HG2 PRO 3 7.214 1.115 -7.209
23 HG3 PRO 3 HG1 PRO 3 7.439 -0.414 -8.089
24 HD2 PRO 3 HD2 PRO 3 8.109 1.964 -9.161
25 HD3 PRO 3 HD1 PRO 3 7.435 0.668 -10.166
26 H ASP 4 H ASP 4 2.812 2.497 -7.569
27 HA ASP 4 HA ASP 4 4.111 4.658 -6.108
28 HB2 ASP 4 HB2 ASP 4 1.761 4.798 -7.273
29 HB3 ASP 4 HB1 ASP 4 1.180 3.998 -5.819
30 H LYS 5 H LYS 5 3.170 4.929 -3.787
31 HA LYS 5 HA LYS 5 4.511 3.049 -2.203
32 HB2 LYS 5 HB2 LYS 5 3.672 4.343 -0.299
33 HB3 LYS 5 HB1 LYS 5 4.256 5.395 -1.578
34 HG2 LYS 5 HG2 LYS 5 1.823 5.620 -2.303
35 HG3 LYS 5 HG1 LYS 5 1.399 4.837 -0.787
36 HD2 LYS 5 HD2 LYS 5 1.218 7.214 -0.507
37 HD3 LYS 5 HD1 LYS 5 2.618 6.661 0.412
38 HE2 LYS 5 HE2 LYS 5 3.151 8.709 -0.777
39 HE3 LYS 5 HE1 LYS 5 4.083 7.377 -1.444
40 HZ1 LYS 5 HZ1 LYS 5 3.232 8.705 -3.213
41 HZ2 LYS 5 HZ2 LYS 5 1.672 8.643 -2.642
42 HZ3 LYS 5 HZ3 LYS 5 2.369 7.260 -3.281
43 H SER 6 H SER 6 1.057 3.481 -2.837
44 HA SER 6 HA SER 6 0.186 1.541 -1.010
45 HB2 SER 6 HB2 SER 6 -1.185 2.553 -3.505
46 HB3 SER 6 HB1 SER 6 -1.963 1.757 -2.134
47 HG SER 6 HG SER 6 -1.572 4.300 -2.412
48 H TYR 7 H TYR 7 1.398 1.313 -4.289
49 HA TYR 7 HA TYR 7 0.415 -1.368 -4.670
50 HB2 TYR 7 HB2 TYR 7 0.783 0.180 -6.600
51 HB3 TYR 7 HB1 TYR 7 2.511 0.127 -6.271
52 HD1 TYR 7 HD1 TYR 7 -0.389 -1.999 -7.176
53 HD2 TYR 7 HD2 TYR 7 3.833 -1.587 -7.183
54 HE1 TYR 7 HE1 TYR 7 -0.213 -3.985 -8.599
55 HE2 TYR 7 HE2 TYR 7 4.027 -3.573 -8.629
56 HH TYR 7 HH TYR 7 1.354 -4.931 -10.198
57 H LYS 8 H LYS 8 3.331 0.223 -3.660
58 HA LYS 8 HA LYS 8 4.963 -2.048 -3.533
59 HB2 LYS 8 HB2 LYS 8 5.010 0.542 -1.986
60 HB3 LYS 8 HB1 LYS 8 6.252 -0.683 -1.800
61 HG2 LYS 8 HG2 LYS 8 5.564 0.659 -4.410
62 HG3 LYS 8 HG1 LYS 8 6.852 1.186 -3.330
63 HD2 LYS 8 HD2 LYS 8 6.683 -1.561 -4.592
64 HD3 LYS 8 HD1 LYS 8 7.655 -0.229 -5.207
65 HE2 LYS 8 HE2 LYS 8 8.912 -0.174 -3.090
66 HE3 LYS 8 HE1 LYS 8 7.945 -1.514 -2.482
67 HZ1 LYS 8 HZ1 LYS 8 8.832 -2.918 -4.213
68 HZ2 LYS 8 HZ2 LYS 8 10.099 -2.208 -3.337
69 HZ3 LYS 8 HZ3 LYS 8 9.706 -1.626 -4.859
70 H ARG 9 H ARG 9 2.981 -0.407 -1.100
71 HA ARG 9 HA ARG 9 3.291 -2.190 1.017
72 HB2 ARG 9 HB2 ARG 9 0.947 -0.452 0.277
73 HB3 ARG 9 HB1 ARG 9 1.043 -1.355 1.777
74 HG2 ARG 9 HG2 ARG 9 3.027 -0.094 2.423
75 HG3 ARG 9 HG1 ARG 9 2.952 0.790 0.893
76 HD2 ARG 9 HD2 ARG 9 1.966 2.065 2.759
77 HD3 ARG 9 HD1 ARG 9 0.795 1.709 1.487
78 HE ARG 9 HE ARG 9 0.978 0.023 3.880
79 HH11 ARG 9 HH11 ARG 9 -0.943 2.211 1.829
80 HH12 ARG 9 HH12 ARG 9 -2.429 1.794 2.527
81 HH21 ARG 9 HH21 ARG 9 -1.098 -0.505 4.896
82 HH22 ARG 9 HH22 ARG 9 -2.501 0.243 4.323
83 H LEU 10 H LEU 10 1.019 -2.249 -1.666
84 HA LEU 10 HA LEU 10 -0.535 -4.414 -0.875
85 HB2 LEU 10 HB2 LEU 10 -1.134 -2.919 -2.700
86 HB3 LEU 10 HB1 LEU 10 0.245 -3.439 -3.622
87 HG LEU 10 HG LEU 10 -2.101 -4.262 -4.292
88 HD11 LEU 10 HD11 LEU 10 0.122 -6.242 -3.993
89 HD12 LEU 10 HD12 LEU 10 -0.120 -5.108 -5.340
90 HD13 LEU 10 HD13 LEU 10 -1.297 -6.399 -5.033
91 HD21 LEU 10 HD21 LEU 10 -1.525 -6.157 -2.034
92 HD22 LEU 10 HD22 LEU 10 -2.785 -6.369 -3.244
93 HD23 LEU 10 HD23 LEU 10 -2.859 -5.007 -2.119
94 H GLN 11 H GLN 11 2.331 -4.375 -2.909
95 HA GLN 11 HA GLN 11 2.617 -7.133 -3.259
96 HB2 GLN 11 HB2 GLN 11 4.734 -4.989 -3.143
97 HB3 GLN 11 HB1 GLN 11 5.019 -6.643 -3.666
98 HG2 GLN 11 HG2 GLN 11 3.567 -6.366 -5.539
99 HG3 GLN 11 HG1 GLN 11 3.083 -4.765 -4.978
100 HE21 GLN 11 1HE2 GLN 11 4.484 -3.087 -5.160
101 HE22 GLN 11 2HE2 GLN 11 5.881 -3.134 -6.192
102 H GLU 12 H GLU 12 4.095 -5.004 -0.817
103 HA GLU 12 HA GLU 12 5.448 -7.077 0.497
104 HB2 GLU 12 HB2 GLU 12 4.609 -4.383 1.585
105 HB3 GLU 12 HB1 GLU 12 5.751 -5.477 2.357
106 HG2 GLU 12 HG2 GLU 12 7.177 -5.305 0.307
107 HG3 GLU 12 HG1 GLU 12 6.081 -4.060 -0.276
108 H CYS 13 H CYS 13 2.212 -5.805 0.905
109 HA CYS 13 HA CYS 13 1.584 -7.063 3.330
110 HB2 CYS 13 HB2 CYS 13 0.232 -5.253 2.128
111 HB3 CYS 13 HB1 CYS 13 -0.378 -6.533 1.091
112 H GLN 14 H GLN 14 1.085 -8.141 -0.036
113 HA GLN 14 HA GLN 14 0.073 -10.633 0.857
114 HB2 GLN 14 HB2 GLN 14 0.225 -11.385 -1.516
115 HB3 GLN 14 HB1 GLN 14 -0.705 -9.916 -1.280
116 HG2 GLN 14 HG2 GLN 14 1.181 -8.601 -2.087
117 HG3 GLN 14 HG1 GLN 14 2.117 -10.086 -2.320
118 HE21 GLN 14 1HE2 GLN 14 -0.516 -8.159 -3.424
119 HE22 GLN 14 2HE2 GLN 14 -0.722 -8.953 -4.944
120 H ARG 15 H ARG 15 3.273 -9.511 0.077
121 HA ARG 15 HA ARG 15 4.624 -11.972 0.092
122 HB2 ARG 15 HB2 ARG 15 5.466 -9.228 1.002
123 HB3 ARG 15 HB1 ARG 15 6.561 -10.596 1.039
124 HG2 ARG 15 HG2 ARG 15 5.199 -9.559 -1.430
125 HG3 ARG 15 HG1 ARG 15 6.835 -9.139 -0.929
126 HD2 ARG 15 HD2 ARG 15 5.818 -11.902 -1.608
127 HD3 ARG 15 HD1 ARG 15 6.873 -10.902 -2.602
128 HE ARG 15 HE ARG 15 8.000 -11.311 -0.033
129 HH11 ARG 15 HH11 ARG 15 7.540 -12.929 -3.144
130 HH12 ARG 15 HH12 ARG 15 8.849 -13.999 -2.924
131 HH21 ARG 15 HH21 ARG 15 9.721 -12.791 0.280
132 HH22 ARG 15 HH22 ARG 15 10.114 -13.934 -0.921
133 H ARG 16 H ARG 16 3.628 -9.851 2.706
134 HA ARG 16 HA ARG 16 4.649 -11.453 4.797
135 HB2 ARG 16 HB2 ARG 16 2.420 -9.425 4.754
136 HB3 ARG 16 HB1 ARG 16 2.934 -10.243 6.217
137 HG2 ARG 16 HG2 ARG 16 4.667 -8.479 4.504
138 HG3 ARG 16 HG1 ARG 16 3.877 -7.997 6.006
139 HD2 ARG 16 HD2 ARG 16 5.972 -10.152 5.697
140 HD3 ARG 16 HD1 ARG 16 6.198 -8.559 6.412
141 HE ARG 16 HE ARG 16 4.159 -10.221 7.646
142 HH11 ARG 16 HH11 ARG 16 7.566 -9.266 7.695
143 HH12 ARG 16 HH12 ARG 16 7.788 -9.585 9.341
144 HH21 ARG 16 HH21 ARG 16 4.463 -10.718 9.920
145 HH22 ARG 16 HH22 ARG 16 5.985 -10.420 10.636
146 H CYS 17 H CYS 17 1.450 -11.202 3.396
147 HA CYS 17 HA CYS 17 0.146 -13.083 4.901
148 HB2 CYS 17 HB2 CYS 17 -0.181 -12.423 2.001
149 HB3 CYS 17 HB1 CYS 17 -1.277 -13.464 2.888
150 H GLN 18 H GLN 18 2.276 -13.689 2.151
151 HA GLN 18 HA GLN 18 1.506 -16.490 2.184
152 HB2 GLN 18 HB2 GLN 18 3.032 -16.819 0.312
153 HB3 GLN 18 HB1 GLN 18 1.949 -15.466 0.026
154 HG2 GLN 18 HG2 GLN 18 3.710 -13.915 0.593
155 HG3 GLN 18 HG1 GLN 18 4.775 -15.283 0.944
156 HE21 GLN 18 1HE2 GLN 18 6.253 -14.648 -0.601
157 HE22 GLN 18 2HE2 GLN 18 5.954 -14.803 -2.296
158 H SER 19 H SER 19 3.729 -14.642 3.818
159 HA SER 19 HA SER 19 5.497 -16.899 4.242
160 HB2 SER 19 HB2 SER 19 6.369 -14.559 3.854
161 HB3 SER 19 HB1 SER 19 5.644 -14.096 5.388
162 HG SER 19 HG SER 19 7.434 -14.727 6.213
163 H GLU 20 H GLU 20 3.085 -14.899 5.879
164 HA GLU 20 HA GLU 20 3.421 -16.288 8.388
165 HB2 GLU 20 HB2 GLU 20 1.541 -14.086 7.584
166 HB3 GLU 20 HB1 GLU 20 1.871 -14.634 9.222
167 HG2 GLU 20 HG2 GLU 20 4.221 -13.958 8.940
168 HG3 GLU 20 HG1 GLU 20 3.832 -13.387 7.338
169 H GLN 21 H GLN 21 1.225 -16.378 5.635
170 HA GLN 21 HA GLN 21 -0.535 -18.199 7.128
171 HB2 GLN 21 HB2 GLN 21 -1.313 -16.176 5.020
172 HB3 GLN 21 HB1 GLN 21 -2.394 -17.360 5.726
173 HG2 GLN 21 HG2 GLN 21 -1.017 -15.139 7.216
174 HG3 GLN 21 HG1 GLN 21 -2.685 -15.113 6.650
175 HE21 GLN 21 1HE2 GLN 21 -1.651 -14.918 9.372
176 HE22 GLN 21 2HE2 GLN 21 -2.402 -16.202 10.244
177 H GLN 22 H GLN 22 -1.740 -19.675 5.637
178 HA GLN 22 HA GLN 22 -0.599 -20.051 2.997
179 HB2 GLN 22 HB2 GLN 22 -0.282 -22.443 3.280
180 HB3 GLN 22 HB1 GLN 22 0.739 -21.579 4.412
181 HG2 GLN 22 HG2 GLN 22 -0.738 -22.122 6.225
182 HG3 GLN 22 HG1 GLN 22 -1.926 -22.807 5.115
183 HE21 GLN 22 1HE2 GLN 22 -1.496 -24.808 4.187
184 HE22 GLN 22 2HE2 GLN 22 -0.306 -25.880 4.809
185 H GLY 23 H GLY 23 -1.851 -21.730 1.842
186 HA2 GLY 23 HA2 GLY 23 -3.805 -22.588 1.036
187 HA3 GLY 23 HA1 GLY 23 -4.269 -22.807 2.714
188 H GLN 24 H GLN 24 -6.272 -22.121 2.852
189 HA GLN 24 HA GLN 24 -7.389 -20.063 1.254
190 HB2 GLN 24 HB2 GLN 24 -8.696 -21.907 2.364
191 HB3 GLN 24 HB1 GLN 24 -8.466 -21.055 3.889
192 HG2 GLN 24 HG2 GLN 24 -9.537 -19.050 2.803
193 HG3 GLN 24 HG1 GLN 24 -9.972 -20.116 1.473
194 HE21 GLN 24 1HE2 GLN 24 -12.138 -19.810 1.835
195 HE22 GLN 24 2HE2 GLN 24 -12.960 -20.515 3.176
196 H ARG 25 H ARG 25 -5.808 -20.123 4.400
197 HA ARG 25 HA ARG 25 -6.649 -17.623 5.328
198 HB2 ARG 25 HB2 ARG 25 -4.042 -19.047 5.792
199 HB3 ARG 25 HB1 ARG 25 -4.672 -17.723 6.753
200 HG2 ARG 25 HG2 ARG 25 -5.916 -20.430 6.458
201 HG3 ARG 25 HG1 ARG 25 -4.948 -19.905 7.821
202 HD2 ARG 25 HD2 ARG 25 -7.128 -19.600 8.594
203 HD3 ARG 25 HD1 ARG 25 -6.751 -17.997 7.967
204 HE ARG 25 HE ARG 25 -8.268 -20.039 6.502
205 HH11 ARG 25 HH11 ARG 25 -7.775 -16.625 7.328
206 HH12 ARG 25 HH12 ARG 25 -9.152 -16.084 6.505
207 HH21 ARG 25 HH21 ARG 25 -10.175 -19.266 5.347
208 HH22 ARG 25 HH22 ARG 25 -10.524 -17.600 5.309
209 H LEU 26 H LEU 26 -3.978 -18.661 3.307
210 HA LEU 26 HA LEU 26 -2.847 -16.091 3.013
211 HB2 LEU 26 HB2 LEU 26 -1.457 -17.900 2.497
212 HB3 LEU 26 HB1 LEU 26 -2.605 -18.604 1.368
213 HG LEU 26 HG LEU 26 -2.125 -16.836 -0.247
214 HD11 LEU 26 HD11 LEU 26 -1.762 -14.983 1.202
215 HD12 LEU 26 HD12 LEU 26 -0.296 -15.206 0.229
216 HD13 LEU 26 HD13 LEU 26 -0.355 -15.750 1.910
217 HD21 LEU 26 HD21 LEU 26 -0.679 -18.779 -0.288
218 HD22 LEU 26 HD22 LEU 26 0.383 -18.030 0.908
219 HD23 LEU 26 HD23 LEU 26 0.240 -17.327 -0.695
220 H GLN 27 H GLN 27 -5.164 -17.947 1.129
221 HA GLN 27 HA GLN 27 -5.511 -16.216 -0.996
222 HB2 GLN 27 HB2 GLN 27 -7.577 -17.941 0.357
223 HB3 GLN 27 HB1 GLN 27 -7.836 -17.117 -1.168
224 HG2 GLN 27 HG2 GLN 27 -5.912 -18.403 -2.103
225 HG3 GLN 27 HG1 GLN 27 -5.872 -19.312 -0.593
226 HE21 GLN 27 1HE2 GLN 27 -7.716 -18.586 -3.422
227 HE22 GLN 27 2HE2 GLN 27 -8.794 -19.933 -3.331
228 H GLU 28 H GLU 28 -7.355 -16.243 2.046
229 HA GLU 28 HA GLU 28 -8.714 -13.877 1.332
230 HB2 GLU 28 HB2 GLU 28 -8.441 -15.195 4.018
231 HB3 GLU 28 HB1 GLU 28 -9.357 -13.716 3.771
232 HG2 GLU 28 HG2 GLU 28 -10.620 -15.033 1.976
233 HG3 GLU 28 HG1 GLU 28 -9.901 -16.460 2.723
234 H CYS 29 H CYS 29 -5.807 -14.391 3.265
235 HA CYS 29 HA CYS 29 -5.580 -11.780 4.224
236 HB2 CYS 29 HB2 CYS 29 -4.195 -13.734 4.976
237 HB3 CYS 29 HB1 CYS 29 -3.287 -13.606 3.483
238 H GLN 30 H GLN 30 -4.168 -13.223 1.274
239 HA GLN 30 HA GLN 30 -3.033 -10.780 0.406
240 HB2 GLN 30 HB2 GLN 30 -2.716 -11.833 -1.801
241 HB3 GLN 30 HB1 GLN 30 -2.188 -12.886 -0.501
242 HG2 GLN 30 HG2 GLN 30 -4.193 -14.206 -0.709
243 HG3 GLN 30 HG1 GLN 30 -4.828 -13.107 -1.926
244 HE21 GLN 30 1HE2 GLN 30 -1.458 -14.071 -1.839
245 HE22 GLN 30 2HE2 GLN 30 -1.523 -15.041 -3.251
246 H GLN 31 H GLN 31 -6.155 -12.292 -0.240
247 HA GLN 31 HA GLN 31 -7.139 -10.572 -2.194
248 HB2 GLN 31 HB2 GLN 31 -8.292 -12.614 -1.598
249 HB3 GLN 31 HB1 GLN 31 -8.557 -12.031 0.035
250 HG2 GLN 31 HG2 GLN 31 -10.014 -10.260 -0.861
251 HG3 GLN 31 HG1 GLN 31 -9.784 -10.921 -2.477
252 HE21 GLN 31 1HE2 GLN 31 -11.967 -11.305 -2.681
253 HE22 GLN 31 2HE2 GLN 31 -12.750 -12.605 -1.855
254 H ARG 32 H ARG 32 -7.255 -10.353 1.309
255 HA ARG 32 HA ARG 32 -8.768 -7.983 1.400
256 HB2 ARG 32 HB2 ARG 32 -6.981 -9.257 3.460
257 HB3 ARG 32 HB1 ARG 32 -8.040 -7.883 3.789
258 HG2 ARG 32 HG2 ARG 32 -9.969 -9.211 3.184
259 HG3 ARG 32 HG1 ARG 32 -8.928 -10.573 2.786
260 HD2 ARG 32 HD2 ARG 32 -8.190 -10.618 5.150
261 HD3 ARG 32 HD1 ARG 32 -9.358 -9.338 5.496
262 HE ARG 32 HE ARG 32 -10.304 -11.780 4.237
263 HH11 ARG 32 HH11 ARG 32 -10.137 -9.804 7.165
264 HH12 ARG 32 HH12 ARG 32 -11.430 -10.581 7.934
265 HH21 ARG 32 HH21 ARG 32 -12.059 -12.918 5.324
266 HH22 ARG 32 HH22 ARG 32 -12.576 -12.393 6.853
267 H CYS 33 H CYS 33 -5.293 -8.563 1.351
268 HA CYS 33 HA CYS 33 -4.532 -5.858 1.675
269 HB2 CYS 33 HB2 CYS 33 -3.102 -8.037 0.117
270 HB3 CYS 33 HB1 CYS 33 -2.399 -6.501 0.599
271 H GLN 34 H GLN 34 -5.442 -7.793 -1.143
272 HA GLN 34 HA GLN 34 -4.884 -5.846 -3.114
273 HB2 GLN 34 HB2 GLN 34 -6.892 -8.087 -3.152
274 HB3 GLN 34 HB1 GLN 34 -6.439 -7.135 -4.553
275 HG2 GLN 34 HG2 GLN 34 -4.152 -7.969 -4.368
276 HG3 GLN 34 HG1 GLN 34 -4.627 -8.926 -2.960
277 HE21 GLN 34 1HE2 GLN 34 -4.850 -8.588 -6.373
278 HE22 GLN 34 2HE2 GLN 34 -5.548 -10.130 -6.695
279 H GLN 35 H GLN 35 -7.741 -6.560 -1.182
280 HA GLN 35 HA GLN 35 -9.546 -4.780 -2.391
281 HB2 GLN 35 HB2 GLN 35 -9.350 -5.438 0.563
282 HB3 GLN 35 HB1 GLN 35 -10.728 -4.700 -0.221
283 HG2 GLN 35 HG2 GLN 35 -9.719 -7.516 -0.571
284 HG3 GLN 35 HG1 GLN 35 -11.201 -7.006 0.229
285 HE21 GLN 35 1HE2 GLN 35 -9.682 -7.765 -2.723
286 HE22 GLN 35 2HE2 GLN 35 -11.073 -7.575 -3.729
287 H GLU 36 H GLU 36 -7.321 -4.342 0.299
288 HA GLU 36 HA GLU 36 -7.709 -1.647 0.807
289 HB2 GLU 36 HB2 GLU 36 -5.369 -3.463 1.121
290 HB3 GLU 36 HB1 GLU 36 -5.286 -1.777 1.596
291 HG2 GLU 36 HG2 GLU 36 -7.286 -3.795 2.622
292 HG3 GLU 36 HG1 GLU 36 -5.822 -3.312 3.476
293 H TYR 37 H TYR 37 -5.454 -3.186 -1.439
294 HA TYR 37 HA TYR 37 -4.396 -0.772 -2.389
295 HB2 TYR 37 HB2 TYR 37 -3.227 -2.824 -2.875
296 HB3 TYR 37 HB1 TYR 37 -4.569 -3.420 -3.847
297 HD1 TYR 37 HD1 TYR 37 -2.347 -0.420 -3.651
298 HD2 TYR 37 HD2 TYR 37 -4.391 -3.186 -6.144
299 HE1 TYR 37 HE1 TYR 37 -1.415 0.689 -5.630
300 HE2 TYR 37 HE2 TYR 37 -3.456 -2.087 -8.135
301 HH TYR 37 HH TYR 37 -2.577 0.047 -8.755
302 H GLN 38 H GLN 38 -7.207 -2.601 -3.523
303 HA GLN 38 HA GLN 38 -7.798 -0.976 -5.751
304 HB2 GLN 38 HB2 GLN 38 -9.695 -2.477 -3.940
305 HB3 GLN 38 HB1 GLN 38 -10.165 -1.732 -5.458
306 HG2 GLN 38 HG2 GLN 38 -8.593 -3.214 -6.636
307 HG3 GLN 38 HG1 GLN 38 -8.189 -3.942 -5.082
308 HE21 GLN 38 1HE2 GLN 38 -10.673 -3.539 -7.470
309 HE22 GLN 38 2HE2 GLN 38 -11.641 -4.864 -6.961
310 H ARG 39 H ARG 39 -8.476 -0.626 -2.401
311 HA ARG 39 HA ARG 39 -10.188 1.617 -2.637
312 HB2 ARG 39 HB2 ARG 39 -8.576 0.586 -0.275
313 HB3 ARG 39 HB1 ARG 39 -9.838 1.813 -0.168
314 HG2 ARG 39 HG2 ARG 39 -11.522 0.260 -0.833
315 HG3 ARG 39 HG1 ARG 39 -10.323 -0.953 -1.254
316 HD2 ARG 39 HD2 ARG 39 -9.719 -1.129 1.147
317 HD3 ARG 39 HD1 ARG 39 -10.974 0.058 1.513
318 HE ARG 39 HE ARG 39 -12.391 -1.747 0.200
319 HH11 ARG 39 HH11 ARG 39 -10.003 -2.384 2.782
320 HH12 ARG 39 HH12 ARG 39 -10.859 -3.707 3.410
321 HH21 ARG 39 HH21 ARG 39 -13.495 -3.613 1.055
322 HH22 ARG 39 HH22 ARG 39 -12.866 -4.432 2.426
323 H GLU 40 H GLU 40 -6.716 1.280 -1.880
324 HA GLU 40 HA GLU 40 -6.418 4.166 -1.906
325 HB2 GLU 40 HB2 GLU 40 -4.442 1.998 -1.258
326 HB3 GLU 40 HB1 GLU 40 -4.080 3.719 -1.200
327 HG2 GLU 40 HG2 GLU 40 -5.846 4.023 0.463
328 HG3 GLU 40 HG1 GLU 40 -6.165 2.291 0.411
329 H LYS 41 H LYS 41 -6.512 2.092 -4.368
330 HA LYS 41 HA LYS 41 -4.305 3.235 -5.825
331 HB2 LYS 41 HB2 LYS 41 -4.984 1.911 -7.740
332 HB3 LYS 41 HB1 LYS 41 -5.149 0.906 -6.316
333 HG2 LYS 41 HG2 LYS 41 -7.009 0.361 -7.582
334 HG3 LYS 41 HG1 LYS 41 -7.652 1.531 -6.431
335 HD2 LYS 41 HD2 LYS 41 -7.504 3.290 -8.123
336 HD3 LYS 41 HD1 LYS 41 -6.794 2.151 -9.262
337 HE2 LYS 41 HE2 LYS 41 -8.858 0.821 -9.184
338 HE3 LYS 41 HE1 LYS 41 -9.561 1.997 -8.076
339 HZ1 LYS 41 HZ1 LYS 41 -8.629 2.592 -10.824
340 HZ2 LYS 41 HZ2 LYS 41 -9.380 3.678 -9.801
341 HZ3 LYS 41 HZ3 LYS 41 -10.235 2.336 -10.399
342 H GLY 42 H GLY 42 -7.437 3.931 -5.063
343 HA2 GLY 42 HA2 GLY 42 -7.877 5.916 -7.105
344 HA3 GLY 42 HA1 GLY 42 -8.902 5.619 -5.695
345 H GLN 43 H GLN 43 -8.520 8.163 -6.093
346 HA GLN 43 HA GLN 43 -6.028 9.034 -5.052
347 HB2 GLN 43 HB2 GLN 43 -6.930 11.330 -5.276
348 HB3 GLN 43 HB1 GLN 43 -6.926 10.391 -6.759
349 HG2 GLN 43 HG2 GLN 43 -9.307 9.991 -6.539
350 HG3 GLN 43 HG1 GLN 43 -9.313 10.847 -4.998
351 HE21 GLN 43 1HE2 GLN 43 -7.488 12.907 -5.919
352 HE22 GLN 43 2HE2 GLN 43 -8.398 13.899 -6.991
353 H HIS 44 H HIS 44 -5.844 8.262 -3.055
354 HA HIS 44 HA HIS 44 -7.483 9.405 -0.950
355 HB2 HIS 44 HB2 HIS 44 -5.079 7.572 -0.942
356 HB3 HIS 44 HB1 HIS 44 -5.600 8.365 0.538
357 HD1 HIS 44 HD1 HIS 44 -6.792 6.621 1.900
358 HD2 HIS 44 HD2 HIS 44 -7.744 6.408 -2.136
359 HE1 HIS 44 HE1 HIS 44 -8.537 4.839 1.692
360 H GLN 45 H GLN 45 -4.533 9.848 -2.608
361 HA GLN 45 HA GLN 45 -3.517 11.994 -1.015
362 HB2 GLN 45 HB2 GLN 45 -3.022 11.324 -3.924
363 HB3 GLN 45 HB1 GLN 45 -2.038 12.381 -2.932
364 HG2 GLN 45 HG2 GLN 45 -1.306 10.529 -1.596
365 HG3 GLN 45 HG1 GLN 45 -2.420 9.448 -2.421
366 HE21 GLN 45 1HE2 GLN 45 -1.874 10.588 -5.076
367 HE22 GLN 45 2HE2 GLN 45 -0.314 10.023 -5.507
368 H GLY 46 H GLY 46 -4.547 13.881 -0.889
369 HA2 GLY 46 HA2 GLY 46 -6.790 14.536 -2.462
370 HA3 GLY 46 HA1 GLY 46 -5.989 15.579 -1.298
371 H GLU 47 H GLU 47 -6.779 15.195 -4.444
372 HA GLU 47 HA GLU 47 -4.571 16.803 -5.466
373 HB2 GLU 47 HB2 GLU 47 -6.819 15.371 -6.911
374 HB3 GLU 47 HB1 GLU 47 -5.507 16.246 -7.681
375 HG2 GLU 47 HG2 GLU 47 -5.146 13.823 -5.939
376 HG3 GLU 47 HG1 GLU 47 -5.235 13.789 -7.699
377 H THR 48 H THR 48 -5.431 18.530 -4.167
378 HA THR 48 HA THR 48 -8.039 19.548 -4.889
379 HB THR 48 HB THR 48 -6.055 20.633 -2.881
380 HG1 THR 48 HG1 THR 48 -7.903 18.494 -2.805
381 HG21 THR 48 HG21 THR 48 -9.074 20.834 -3.091
382 HG22 THR 48 HG22 THR 48 -7.940 22.119 -3.494
383 HG23 THR 48 HG23 THR 48 -8.078 21.559 -1.826
384 H ASN 49 H ASN 49 -4.655 20.224 -5.337
385 HA ASN 49 HA ASN 49 -5.284 22.145 -7.367
386 HB2 ASN 49 HB2 ASN 49 -5.194 23.537 -5.280
387 HB3 ASN 49 HB1 ASN 49 -3.523 23.014 -5.061
388 HD21 ASN 49 HD21 ASN 49 -5.691 24.949 -6.922
389 HD22 ASN 49 HD22 ASN 49 -4.486 25.852 -7.769
Start of MODEL 12
1 H1 ARG 1 HT1 ARG 1 7.387 2.179 -14.806
2 H2 ARG 1 HT2 ARG 1 8.184 1.026 -15.726
3 H3 ARG 1 HT3 ARG 1 9.029 2.336 -15.043
4 HA ARG 1 HA ARG 1 7.619 0.286 -13.490
5 HB2 ARG 1 HB2 ARG 1 10.584 0.687 -13.976
6 HB3 ARG 1 HB1 ARG 1 9.937 -0.350 -12.721
7 HG2 ARG 1 HG2 ARG 1 9.485 -0.713 -15.679
8 HG3 ARG 1 HG1 ARG 1 10.658 -1.599 -14.710
9 HD2 ARG 1 HD2 ARG 1 8.778 -2.457 -13.316
10 HD3 ARG 1 HD1 ARG 1 7.645 -1.664 -14.409
11 HE ARG 1 HE ARG 1 9.439 -3.320 -15.812
12 HH11 ARG 1 HH11 ARG 1 6.479 -3.504 -13.835
13 HH12 ARG 1 HH12 ARG 1 6.000 -5.021 -14.436
14 HH21 ARG 1 HH21 ARG 1 8.751 -5.402 -16.666
15 HH22 ARG 1 HH22 ARG 1 7.321 -6.121 -16.080
16 H GLY 2 H GLY 2 8.960 0.458 -11.203
17 HA2 GLY 2 HA2 GLY 2 9.704 1.981 -9.542
18 HA3 GLY 2 HA1 GLY 2 8.987 3.293 -10.478
19 HA PRO 3 HA PRO 3 5.495 0.707 -8.279
20 HB2 PRO 3 HB2 PRO 3 6.141 -0.008 -5.752
21 HB3 PRO 3 HB1 PRO 3 6.441 -1.064 -7.139
22 HG2 PRO 3 HG2 PRO 3 8.285 0.836 -5.777
23 HG3 PRO 3 HG1 PRO 3 8.586 -0.873 -6.186
24 HD2 PRO 3 HD2 PRO 3 9.534 1.088 -7.726
25 HD3 PRO 3 HD1 PRO 3 8.848 -0.376 -8.469
26 H ASP 4 H ASP 4 4.018 1.877 -7.361
27 HA ASP 4 HA ASP 4 4.742 4.442 -6.287
28 HB2 ASP 4 HB2 ASP 4 2.815 4.080 -7.875
29 HB3 ASP 4 HB1 ASP 4 1.959 3.278 -6.568
30 H LYS 5 H LYS 5 3.134 5.100 -4.284
31 HA LYS 5 HA LYS 5 4.543 3.931 -2.136
32 HB2 LYS 5 HB2 LYS 5 2.225 5.845 -2.156
33 HB3 LYS 5 HB1 LYS 5 3.137 5.417 -0.717
34 HG2 LYS 5 HG2 LYS 5 5.167 6.341 -1.733
35 HG3 LYS 5 HG1 LYS 5 4.238 6.774 -3.171
36 HD2 LYS 5 HD2 LYS 5 2.824 8.216 -1.844
37 HD3 LYS 5 HD1 LYS 5 3.706 7.784 -0.377
38 HE2 LYS 5 HE2 LYS 5 4.801 9.239 -2.790
39 HE3 LYS 5 HE1 LYS 5 4.383 9.962 -1.243
40 HZ1 LYS 5 HZ1 LYS 5 6.712 9.644 -1.389
41 HZ2 LYS 5 HZ2 LYS 5 6.582 8.029 -1.764
42 HZ3 LYS 5 HZ3 LYS 5 6.142 8.590 -0.213
43 H SER 6 H SER 6 1.006 3.841 -2.820
44 HA SER 6 HA SER 6 0.553 2.051 -0.677
45 HB2 SER 6 HB2 SER 6 -1.249 2.522 -3.065
46 HB3 SER 6 HB1 SER 6 -1.684 1.905 -1.481
47 HG SER 6 HG SER 6 -2.130 4.112 -1.948
48 H TYR 7 H TYR 7 1.290 1.714 -4.039
49 HA TYR 7 HA TYR 7 0.626 -1.020 -4.302
50 HB2 TYR 7 HB2 TYR 7 1.001 0.534 -6.231
51 HB3 TYR 7 HB1 TYR 7 2.725 0.492 -5.869
52 HD1 TYR 7 HD1 TYR 7 -0.151 -1.665 -6.746
53 HD2 TYR 7 HD2 TYR 7 4.066 -1.223 -6.728
54 HE1 TYR 7 HE1 TYR 7 0.052 -3.715 -8.070
55 HE2 TYR 7 HE2 TYR 7 4.289 -3.273 -8.060
56 HH TYR 7 HH TYR 7 3.044 -5.276 -8.514
57 H LYS 8 H LYS 8 3.575 0.610 -3.304
58 HA LYS 8 HA LYS 8 5.234 -1.625 -3.110
59 HB2 LYS 8 HB2 LYS 8 6.080 0.635 -2.979
60 HB3 LYS 8 HB1 LYS 8 5.123 0.929 -1.537
61 HG2 LYS 8 HG2 LYS 8 6.501 -0.719 -0.317
62 HG3 LYS 8 HG1 LYS 8 7.485 -0.935 -1.765
63 HD2 LYS 8 HD2 LYS 8 8.568 0.619 -0.228
64 HD3 LYS 8 HD1 LYS 8 8.075 1.439 -1.710
65 HE2 LYS 8 HE2 LYS 8 6.074 2.312 -0.556
66 HE3 LYS 8 HE1 LYS 8 6.581 1.506 0.924
67 HZ1 LYS 8 HZ1 LYS 8 7.149 3.846 0.880
68 HZ2 LYS 8 HZ2 LYS 8 8.074 3.612 -0.509
69 HZ3 LYS 8 HZ3 LYS 8 8.541 2.890 0.944
70 H ARG 9 H ARG 9 3.072 -0.079 -0.774
71 HA ARG 9 HA ARG 9 3.625 -1.855 1.364
72 HB2 ARG 9 HB2 ARG 9 1.248 -0.046 0.900
73 HB3 ARG 9 HB1 ARG 9 1.597 -0.871 2.414
74 HG2 ARG 9 HG2 ARG 9 3.356 1.196 1.095
75 HG3 ARG 9 HG1 ARG 9 2.286 1.482 2.466
76 HD2 ARG 9 HD2 ARG 9 4.651 -0.405 2.422
77 HD3 ARG 9 HD1 ARG 9 4.603 1.179 3.190
78 HE ARG 9 HE ARG 9 2.559 0.002 4.356
79 HH11 ARG 9 HH11 ARG 9 5.883 -1.187 3.889
80 HH12 ARG 9 HH12 ARG 9 5.892 -2.174 5.265
81 HH21 ARG 9 HH21 ARG 9 2.561 -1.362 6.270
82 HH22 ARG 9 HH22 ARG 9 3.937 -2.261 6.669
83 H LEU 10 H LEU 10 1.343 -1.909 -1.250
84 HA LEU 10 HA LEU 10 -0.281 -4.036 -0.424
85 HB2 LEU 10 HB2 LEU 10 -0.916 -2.562 -2.229
86 HB3 LEU 10 HB1 LEU 10 0.504 -2.980 -3.138
87 HG LEU 10 HG LEU 10 -1.782 -3.838 -3.913
88 HD11 LEU 10 HD11 LEU 10 -0.912 -5.906 -4.753
89 HD12 LEU 10 HD12 LEU 10 0.487 -5.767 -3.677
90 HD13 LEU 10 HD13 LEU 10 0.224 -4.568 -4.960
91 HD21 LEU 10 HD21 LEU 10 -2.607 -4.727 -1.823
92 HD22 LEU 10 HD22 LEU 10 -1.246 -5.844 -1.742
93 HD23 LEU 10 HD23 LEU 10 -2.452 -6.024 -3.011
94 H GLN 11 H GLN 11 2.624 -3.989 -2.406
95 HA GLN 11 HA GLN 11 3.010 -6.723 -2.830
96 HB2 GLN 11 HB2 GLN 11 5.194 -4.721 -2.215
97 HB3 GLN 11 HB1 GLN 11 5.396 -6.255 -3.044
98 HG2 GLN 11 HG2 GLN 11 4.077 -5.441 -4.903
99 HG3 GLN 11 HG1 GLN 11 3.802 -3.922 -4.057
100 HE21 GLN 11 1HE2 GLN 11 4.778 -2.666 -5.527
101 HE22 GLN 11 2HE2 GLN 11 6.487 -2.685 -5.838
102 H GLU 12 H GLU 12 4.273 -4.695 -0.220
103 HA GLU 12 HA GLU 12 5.500 -6.590 1.359
104 HB2 GLU 12 HB2 GLU 12 4.018 -4.098 2.174
105 HB3 GLU 12 HB1 GLU 12 5.026 -5.036 3.262
106 HG2 GLU 12 HG2 GLU 12 5.969 -3.720 0.730
107 HG3 GLU 12 HG1 GLU 12 6.165 -3.064 2.355
108 H CYS 13 H CYS 13 2.135 -5.498 1.524
109 HA CYS 13 HA CYS 13 1.333 -6.997 3.721
110 HB2 CYS 13 HB2 CYS 13 0.040 -5.145 2.589
111 HB3 CYS 13 HB1 CYS 13 -0.411 -6.305 1.352
112 H GLN 14 H GLN 14 1.101 -7.850 0.248
113 HA GLN 14 HA GLN 14 -0.014 -10.388 0.935
114 HB2 GLN 14 HB2 GLN 14 0.048 -10.943 -1.428
115 HB3 GLN 14 HB1 GLN 14 -0.676 -9.372 -1.154
116 HG2 GLN 14 HG2 GLN 14 1.332 -8.273 -1.897
117 HG3 GLN 14 HG1 GLN 14 2.151 -9.828 -2.064
118 HE21 GLN 14 1HE2 GLN 14 -0.265 -7.737 -3.345
119 HE22 GLN 14 2HE2 GLN 14 -0.444 -8.552 -4.857
120 H ARG 15 H ARG 15 3.239 -9.283 0.185
121 HA ARG 15 HA ARG 15 4.352 -11.858 -0.071
122 HB2 ARG 15 HB2 ARG 15 5.520 -9.172 0.587
123 HB3 ARG 15 HB1 ARG 15 6.512 -10.625 0.566
124 HG2 ARG 15 HG2 ARG 15 4.840 -9.728 -1.764
125 HG3 ARG 15 HG1 ARG 15 6.535 -9.291 -1.555
126 HD2 ARG 15 HD2 ARG 15 5.431 -12.108 -1.757
127 HD3 ARG 15 HD1 ARG 15 6.308 -11.246 -3.016
128 HE ARG 15 HE ARG 15 8.150 -11.118 -1.293
129 HH11 ARG 15 HH11 ARG 15 5.951 -13.926 -1.475
130 HH12 ARG 15 HH12 ARG 15 7.095 -14.999 -0.831
131 HH21 ARG 15 HH21 ARG 15 9.669 -12.623 -0.442
132 HH22 ARG 15 HH22 ARG 15 9.248 -14.260 -0.226
133 H ARG 16 H ARG 16 3.493 -9.938 2.662
134 HA ARG 16 HA ARG 16 4.748 -11.678 4.529
135 HB2 ARG 16 HB2 ARG 16 2.482 -9.726 4.864
136 HB3 ARG 16 HB1 ARG 16 3.206 -10.641 6.176
137 HG2 ARG 16 HG2 ARG 16 5.354 -9.541 5.683
138 HG3 ARG 16 HG1 ARG 16 4.527 -8.551 4.476
139 HD2 ARG 16 HD2 ARG 16 4.698 -7.351 6.587
140 HD3 ARG 16 HD1 ARG 16 3.019 -7.710 6.200
141 HE ARG 16 HE ARG 16 3.482 -9.768 7.732
142 HH11 ARG 16 HH11 ARG 16 4.726 -6.492 8.316
143 HH12 ARG 16 HH12 ARG 16 4.676 -6.663 10.009
144 HH21 ARG 16 HH21 ARG 16 3.457 -9.997 9.954
145 HH22 ARG 16 HH22 ARG 16 3.920 -8.721 10.992
146 H CYS 17 H CYS 17 1.492 -11.322 3.244
147 HA CYS 17 HA CYS 17 0.199 -13.343 4.594
148 HB2 CYS 17 HB2 CYS 17 -0.113 -12.595 1.691
149 HB3 CYS 17 HB1 CYS 17 -1.239 -13.597 2.590
150 H GLN 18 H GLN 18 2.277 -13.630 1.758
151 HA GLN 18 HA GLN 18 1.802 -16.395 1.318
152 HB2 GLN 18 HB2 GLN 18 4.133 -14.689 0.448
153 HB3 GLN 18 HB1 GLN 18 3.734 -16.278 -0.189
154 HG2 GLN 18 HG2 GLN 18 1.572 -15.384 -0.967
155 HG3 GLN 18 HG1 GLN 18 2.042 -13.808 -0.375
156 HE21 GLN 18 1HE2 GLN 18 1.426 -14.661 -3.097
157 HE22 GLN 18 2HE2 GLN 18 2.801 -14.243 -4.047
158 H SER 19 H SER 19 3.575 -14.836 3.697
159 HA SER 19 HA SER 19 5.342 -17.140 4.076
160 HB2 SER 19 HB2 SER 19 5.583 -14.362 5.247
161 HB3 SER 19 HB1 SER 19 6.805 -15.639 5.266
162 HG SER 19 HG SER 19 5.964 -13.985 3.172
163 H GLU 20 H GLU 20 3.237 -14.834 5.835
164 HA GLU 20 HA GLU 20 3.349 -16.315 8.278
165 HB2 GLU 20 HB2 GLU 20 1.624 -13.987 7.470
166 HB3 GLU 20 HB1 GLU 20 1.854 -14.592 9.103
167 HG2 GLU 20 HG2 GLU 20 4.236 -14.022 8.951
168 HG3 GLU 20 HG1 GLU 20 3.960 -13.392 7.338
169 H GLN 21 H GLN 21 1.216 -16.272 5.478
170 HA GLN 21 HA GLN 21 -0.704 -17.844 7.019
171 HB2 GLN 21 HB2 GLN 21 -1.277 -16.034 4.660
172 HB3 GLN 21 HB1 GLN 21 -2.464 -17.008 5.508
173 HG2 GLN 21 HG2 GLN 21 -0.912 -14.702 6.669
174 HG3 GLN 21 HG1 GLN 21 -2.584 -14.646 6.125
175 HE21 GLN 21 1HE2 GLN 21 -1.453 -14.082 8.697
176 HE22 GLN 21 2HE2 GLN 21 -2.176 -15.131 9.850
177 H GLN 22 H GLN 22 -1.843 -19.477 5.700
178 HA GLN 22 HA GLN 22 -0.713 -20.104 3.113
179 HB2 GLN 22 HB2 GLN 22 -0.299 -22.446 3.694
180 HB3 GLN 22 HB1 GLN 22 0.747 -21.364 4.589
181 HG2 GLN 22 HG2 GLN 22 -0.763 -21.613 6.546
182 HG3 GLN 22 HG1 GLN 22 -1.718 -22.768 5.619
183 HE21 GLN 22 1HE2 GLN 22 -0.819 -24.789 5.138
184 HE22 GLN 22 2HE2 GLN 22 0.551 -25.399 5.991
185 H GLY 23 H GLY 23 -1.910 -21.833 2.110
186 HA2 GLY 23 HA2 GLY 23 -3.876 -22.747 1.341
187 HA3 GLY 23 HA1 GLY 23 -4.328 -22.908 3.032
188 H GLN 24 H GLN 24 -6.263 -22.098 3.331
189 HA GLN 24 HA GLN 24 -7.405 -20.172 1.559
190 HB2 GLN 24 HB2 GLN 24 -8.472 -21.159 4.205
191 HB3 GLN 24 HB1 GLN 24 -9.386 -20.264 3.001
192 HG2 GLN 24 HG2 GLN 24 -8.261 -23.042 2.729
193 HG3 GLN 24 HG1 GLN 24 -9.954 -22.600 2.913
194 HE21 GLN 24 1HE2 GLN 24 -9.746 -20.343 1.018
195 HE22 GLN 24 2HE2 GLN 24 -9.612 -21.066 -0.539
196 H ARG 25 H ARG 25 -5.852 -20.114 4.662
197 HA ARG 25 HA ARG 25 -6.570 -17.563 5.558
198 HB2 ARG 25 HB2 ARG 25 -4.035 -19.148 5.885
199 HB3 ARG 25 HB1 ARG 25 -4.406 -17.687 6.786
200 HG2 ARG 25 HG2 ARG 25 -6.132 -20.136 6.826
201 HG3 ARG 25 HG1 ARG 25 -4.833 -19.854 7.982
202 HD2 ARG 25 HD2 ARG 25 -7.251 -18.104 7.504
203 HD3 ARG 25 HD1 ARG 25 -6.962 -19.129 8.910
204 HE ARG 25 HE ARG 25 -4.790 -17.456 8.767
205 HH11 ARG 25 HH11 ARG 25 -8.273 -17.009 9.100
206 HH12 ARG 25 HH12 ARG 25 -8.151 -15.601 10.040
207 HH21 ARG 25 HH21 ARG 25 -4.615 -15.541 10.041
208 HH22 ARG 25 HH22 ARG 25 -6.017 -14.709 10.548
209 H LEU 26 H LEU 26 -4.052 -18.696 3.408
210 HA LEU 26 HA LEU 26 -2.853 -16.171 2.970
211 HB2 LEU 26 HB2 LEU 26 -1.538 -18.026 2.461
212 HB3 LEU 26 HB1 LEU 26 -2.772 -18.762 1.455
213 HG LEU 26 HG LEU 26 -2.355 -17.102 -0.293
214 HD11 LEU 26 HD11 LEU 26 -1.778 -15.193 1.033
215 HD12 LEU 26 HD12 LEU 26 -0.467 -15.537 -0.095
216 HD13 LEU 26 HD13 LEU 26 -0.313 -15.983 1.611
217 HD21 LEU 26 HD21 LEU 26 -1.033 -19.136 -0.269
218 HD22 LEU 26 HD22 LEU 26 0.179 -18.337 0.737
219 HD23 LEU 26 HD23 LEU 26 -0.116 -17.773 -0.910
220 H GLN 27 H GLN 27 -5.262 -18.018 1.201
221 HA GLN 27 HA GLN 27 -5.635 -16.282 -0.947
222 HB2 GLN 27 HB2 GLN 27 -7.744 -17.987 0.397
223 HB3 GLN 27 HB1 GLN 27 -7.835 -17.329 -1.227
224 HG2 GLN 27 HG2 GLN 27 -5.797 -19.338 -0.283
225 HG3 GLN 27 HG1 GLN 27 -7.262 -19.724 -1.170
226 HE21 GLN 27 1HE2 GLN 27 -6.075 -20.651 -2.808
227 HE22 GLN 27 2HE2 GLN 27 -5.170 -19.750 -3.956
228 H GLU 28 H GLU 28 -7.288 -16.381 2.171
229 HA GLU 28 HA GLU 28 -8.958 -14.161 1.815
230 HB2 GLU 28 HB2 GLU 28 -7.761 -15.371 4.295
231 HB3 GLU 28 HB1 GLU 28 -9.003 -14.129 4.305
232 HG2 GLU 28 HG2 GLU 28 -9.284 -16.829 3.036
233 HG3 GLU 28 HG1 GLU 28 -9.871 -16.404 4.641
234 H CYS 29 H CYS 29 -5.724 -14.445 3.195
235 HA CYS 29 HA CYS 29 -5.486 -11.804 4.110
236 HB2 CYS 29 HB2 CYS 29 -4.081 -13.735 4.835
237 HB3 CYS 29 HB1 CYS 29 -3.256 -13.671 3.287
238 H GLN 30 H GLN 30 -4.130 -13.322 1.145
239 HA GLN 30 HA GLN 30 -2.949 -10.977 0.157
240 HB2 GLN 30 HB2 GLN 30 -2.853 -12.102 -2.038
241 HB3 GLN 30 HB1 GLN 30 -2.310 -13.153 -0.738
242 HG2 GLN 30 HG2 GLN 30 -4.322 -14.381 -0.775
243 HG3 GLN 30 HG1 GLN 30 -5.095 -13.231 -1.864
244 HE21 GLN 30 1HE2 GLN 30 -1.801 -14.367 -2.264
245 HE22 GLN 30 2HE2 GLN 30 -2.132 -15.292 -3.669
246 H GLN 31 H GLN 31 -6.174 -12.293 -0.307
247 HA GLN 31 HA GLN 31 -7.042 -10.557 -2.314
248 HB2 GLN 31 HB2 GLN 31 -8.256 -12.568 -1.768
249 HB3 GLN 31 HB1 GLN 31 -8.578 -11.983 -0.146
250 HG2 GLN 31 HG2 GLN 31 -10.003 -10.241 -1.029
251 HG3 GLN 31 HG1 GLN 31 -9.632 -10.739 -2.678
252 HE21 GLN 31 1HE2 GLN 31 -10.546 -12.599 -3.478
253 HE22 GLN 31 2HE2 GLN 31 -11.835 -13.436 -2.690
254 H ARG 32 H ARG 32 -7.318 -10.343 1.221
255 HA ARG 32 HA ARG 32 -8.666 -7.894 1.126
256 HB2 ARG 32 HB2 ARG 32 -7.279 -9.331 3.355
257 HB3 ARG 32 HB1 ARG 32 -8.001 -7.736 3.592
258 HG2 ARG 32 HG2 ARG 32 -10.142 -8.559 2.853
259 HG3 ARG 32 HG1 ARG 32 -9.444 -10.136 2.518
260 HD2 ARG 32 HD2 ARG 32 -9.034 -10.505 4.850
261 HD3 ARG 32 HD1 ARG 32 -9.545 -8.858 5.242
262 HE ARG 32 HE ARG 32 -11.726 -9.407 4.824
263 HH11 ARG 32 HH11 ARG 32 -9.673 -12.263 4.415
264 HH12 ARG 32 HH12 ARG 32 -11.001 -13.335 4.214
265 HH21 ARG 32 HH21 ARG 32 -13.490 -10.892 4.583
266 HH22 ARG 32 HH22 ARG 32 -13.196 -12.542 4.303
267 H CYS 33 H CYS 33 -5.244 -8.603 1.290
268 HA CYS 33 HA CYS 33 -4.387 -5.952 1.668
269 HB2 CYS 33 HB2 CYS 33 -3.064 -8.143 0.050
270 HB3 CYS 33 HB1 CYS 33 -2.286 -6.646 0.548
271 H GLN 34 H GLN 34 -5.249 -7.743 -1.269
272 HA GLN 34 HA GLN 34 -4.630 -5.668 -3.094
273 HB2 GLN 34 HB2 GLN 34 -6.505 -8.013 -3.327
274 HB3 GLN 34 HB1 GLN 34 -6.106 -6.938 -4.661
275 HG2 GLN 34 HG2 GLN 34 -3.781 -7.603 -4.525
276 HG3 GLN 34 HG1 GLN 34 -4.151 -8.633 -3.139
277 HE21 GLN 34 1HE2 GLN 34 -3.426 -10.468 -4.220
278 HE22 GLN 34 2HE2 GLN 34 -4.318 -11.204 -5.486
279 H GLN 35 H GLN 35 -7.573 -6.623 -1.427
280 HA GLN 35 HA GLN 35 -9.341 -4.795 -2.598
281 HB2 GLN 35 HB2 GLN 35 -9.363 -5.914 0.208
282 HB3 GLN 35 HB1 GLN 35 -10.707 -5.070 -0.544
283 HG2 GLN 35 HG2 GLN 35 -9.511 -7.672 -1.471
284 HG3 GLN 35 HG1 GLN 35 -11.030 -7.485 -0.604
285 HE21 GLN 35 1HE2 GLN 35 -9.400 -7.147 -3.630
286 HE22 GLN 35 2HE2 GLN 35 -10.794 -6.818 -4.575
287 H GLU 36 H GLU 36 -7.291 -4.508 0.268
288 HA GLU 36 HA GLU 36 -7.957 -1.892 0.931
289 HB2 GLU 36 HB2 GLU 36 -5.401 -3.423 1.297
290 HB3 GLU 36 HB1 GLU 36 -5.641 -1.799 1.919
291 HG2 GLU 36 HG2 GLU 36 -7.571 -2.640 3.226
292 HG3 GLU 36 HG1 GLU 36 -7.208 -4.264 2.642
293 H TYR 37 H TYR 37 -5.309 -3.082 -1.121
294 HA TYR 37 HA TYR 37 -4.309 -0.648 -1.927
295 HB2 TYR 37 HB2 TYR 37 -3.077 -2.592 -2.460
296 HB3 TYR 37 HB1 TYR 37 -4.391 -3.283 -3.399
297 HD1 TYR 37 HD1 TYR 37 -2.183 -0.269 -3.335
298 HD2 TYR 37 HD2 TYR 37 -4.327 -3.079 -5.695
299 HE1 TYR 37 HE1 TYR 37 -1.290 0.763 -5.367
300 HE2 TYR 37 HE2 TYR 37 -3.436 -2.055 -7.741
301 HH TYR 37 HH TYR 37 -2.473 -0.080 -8.519
302 H GLN 38 H GLN 38 -7.039 -2.396 -3.345
303 HA GLN 38 HA GLN 38 -7.460 -0.698 -5.549
304 HB2 GLN 38 HB2 GLN 38 -9.489 -2.269 -3.948
305 HB3 GLN 38 HB1 GLN 38 -9.831 -1.490 -5.482
306 HG2 GLN 38 HG2 GLN 38 -7.826 -3.690 -5.042
307 HG3 GLN 38 HG1 GLN 38 -9.439 -3.891 -5.723
308 HE21 GLN 38 1HE2 GLN 38 -9.843 -3.153 -7.784
309 HE22 GLN 38 2HE2 GLN 38 -8.581 -2.741 -8.892
310 H ARG 39 H ARG 39 -8.312 -0.360 -2.240
311 HA ARG 39 HA ARG 39 -10.076 1.864 -2.696
312 HB2 ARG 39 HB2 ARG 39 -8.957 0.767 -0.117
313 HB3 ARG 39 HB1 ARG 39 -10.272 1.932 -0.256
314 HG2 ARG 39 HG2 ARG 39 -11.684 0.336 -1.300
315 HG3 ARG 39 HG1 ARG 39 -10.360 -0.812 -1.470
316 HD2 ARG 39 HD2 ARG 39 -10.232 -0.870 1.037
317 HD3 ARG 39 HD1 ARG 39 -11.726 0.077 1.056
318 HE ARG 39 HE ARG 39 -12.514 -1.862 -0.473
319 HH11 ARG 39 HH11 ARG 39 -10.645 -2.154 2.534
320 HH12 ARG 39 HH12 ARG 39 -11.064 -3.784 2.777
321 HH21 ARG 39 HH21 ARG 39 -13.069 -4.040 -0.118
322 HH22 ARG 39 HH22 ARG 39 -12.510 -4.896 1.247
323 H GLU 40 H GLU 40 -6.717 1.376 -1.889
324 HA GLU 40 HA GLU 40 -6.407 4.262 -1.423
325 HB2 GLU 40 HB2 GLU 40 -4.391 3.700 -0.144
326 HB3 GLU 40 HB1 GLU 40 -5.830 2.923 0.496
327 HG2 GLU 40 HG2 GLU 40 -5.154 0.827 -0.542
328 HG3 GLU 40 HG1 GLU 40 -3.712 1.606 -1.190
329 H LYS 41 H LYS 41 -6.416 2.843 -4.015
330 HA LYS 41 HA LYS 41 -3.827 2.494 -5.069
331 HB2 LYS 41 HB2 LYS 41 -4.868 2.582 -7.239
332 HB3 LYS 41 HB1 LYS 41 -5.728 1.521 -6.114
333 HG2 LYS 41 HG2 LYS 41 -7.410 3.281 -5.783
334 HG3 LYS 41 HG1 LYS 41 -6.543 4.314 -6.921
335 HD2 LYS 41 HD2 LYS 41 -7.684 1.613 -7.559
336 HD3 LYS 41 HD1 LYS 41 -8.490 3.144 -7.927
337 HE2 LYS 41 HE2 LYS 41 -6.596 3.768 -9.371
338 HE3 LYS 41 HE1 LYS 41 -5.809 2.238 -9.003
339 HZ1 LYS 41 HZ1 LYS 41 -6.955 2.139 -11.111
340 HZ2 LYS 41 HZ2 LYS 41 -8.398 2.573 -10.391
341 HZ3 LYS 41 HZ3 LYS 41 -7.684 1.084 -10.009
342 H GLY 42 H GLY 42 -5.340 5.313 -4.306
343 HA2 GLY 42 HA2 GLY 42 -3.527 7.195 -4.686
344 HA3 GLY 42 HA1 GLY 42 -4.054 6.963 -6.359
345 H GLN 43 H GLN 43 -6.624 6.303 -5.818
346 HA GLN 43 HA GLN 43 -7.878 8.835 -5.207
347 HB2 GLN 43 HB2 GLN 43 -9.098 6.108 -5.709
348 HB3 GLN 43 HB1 GLN 43 -9.927 7.657 -5.811
349 HG2 GLN 43 HG2 GLN 43 -8.591 8.261 -7.744
350 HG3 GLN 43 HG1 GLN 43 -7.694 6.750 -7.603
351 HE21 GLN 43 1HE2 GLN 43 -10.665 8.230 -8.546
352 HE22 GLN 43 2HE2 GLN 43 -11.314 6.848 -9.347
353 H HIS 44 H HIS 44 -9.238 9.088 -3.333
354 HA HIS 44 HA HIS 44 -9.977 8.829 -1.223
355 HB2 HIS 44 HB2 HIS 44 -10.817 6.601 -1.839
356 HB3 HIS 44 HB1 HIS 44 -9.228 5.901 -1.608
357 HD1 HIS 44 HD1 HIS 44 -12.407 6.526 0.100
358 HD2 HIS 44 HD2 HIS 44 -8.478 5.749 1.201
359 HE1 HIS 44 HE1 HIS 44 -12.491 5.741 2.478
360 H GLN 45 H GLN 45 -7.053 6.889 -1.590
361 HA GLN 45 HA GLN 45 -5.875 8.453 0.596
362 HB2 GLN 45 HB2 GLN 45 -6.196 6.070 1.207
363 HB3 GLN 45 HB1 GLN 45 -5.196 5.614 -0.166
364 HG2 GLN 45 HG2 GLN 45 -3.340 6.923 0.842
365 HG3 GLN 45 HG1 GLN 45 -4.345 7.149 2.273
366 HE21 GLN 45 1HE2 GLN 45 -2.408 4.947 0.442
367 HE22 GLN 45 2HE2 GLN 45 -2.423 3.669 1.589
368 H GLY 46 H GLY 46 -5.055 9.979 -0.805
369 HA2 GLY 46 HA2 GLY 46 -2.833 9.010 -2.474
370 HA3 GLY 46 HA1 GLY 46 -3.795 10.425 -2.888
371 H GLU 47 H GLU 47 -3.302 12.351 -2.016
372 HA GLU 47 HA GLU 47 -0.741 12.623 -0.816
373 HB2 GLU 47 HB2 GLU 47 -1.253 15.069 -0.776
374 HB3 GLU 47 HB1 GLU 47 -1.455 14.324 -2.355
375 HG2 GLU 47 HG2 GLU 47 -3.874 14.233 -1.997
376 HG3 GLU 47 HG1 GLU 47 -3.662 14.987 -0.421
377 H THR 48 H THR 48 -3.592 11.937 0.467
378 HA THR 48 HA THR 48 -3.363 13.226 3.027
379 HB THR 48 HB THR 48 -5.576 12.467 2.085
380 HG1 THR 48 HG1 THR 48 -4.906 12.540 4.497
381 HG21 THR 48 HG21 THR 48 -6.215 10.107 2.242
382 HG22 THR 48 HG22 THR 48 -4.591 9.699 2.790
383 HG23 THR 48 HG23 THR 48 -4.836 10.303 1.155
384 H ASN 49 H ASN 49 -1.898 10.535 1.535
385 HA ASN 49 HA ASN 49 -1.266 9.251 4.073
386 HB2 ASN 49 HB2 ASN 49 -2.146 7.759 2.393
387 HB3 ASN 49 HB1 ASN 49 -0.963 8.308 1.215
388 HD21 ASN 49 HD21 ASN 49 -1.504 6.440 4.067
389 HD22 ASN 49 HD22 ASN 49 -0.020 5.557 4.007
Start of MODEL 13
1 H1 ARG 1 HT1 ARG 1 12.451 7.782 -3.291
2 H2 ARG 1 HT2 ARG 1 12.381 6.157 -2.761
3 H3 ARG 1 HT3 ARG 1 11.005 7.069 -2.822
4 HA ARG 1 HA ARG 1 10.984 7.176 -5.151
5 HB2 ARG 1 HB2 ARG 1 12.656 5.914 -6.482
6 HB3 ARG 1 HB1 ARG 1 13.378 7.262 -5.623
7 HG2 ARG 1 HG2 ARG 1 14.304 5.750 -3.976
8 HG3 ARG 1 HG1 ARG 1 13.490 4.382 -4.739
9 HD2 ARG 1 HD2 ARG 1 14.799 4.704 -6.761
10 HD3 ARG 1 HD1 ARG 1 15.569 6.128 -6.061
11 HE ARG 1 HE ARG 1 16.244 4.352 -4.267
12 HH11 ARG 1 HH11 ARG 1 16.247 3.872 -7.812
13 HH12 ARG 1 HH12 ARG 1 17.547 2.792 -7.772
14 HH21 ARG 1 HH21 ARG 1 18.064 2.869 -4.284
15 HH22 ARG 1 HH22 ARG 1 18.626 2.233 -5.748
16 H GLY 2 H GLY 2 9.841 5.597 -6.306
17 HA2 GLY 2 HA2 GLY 2 9.781 2.969 -6.212
18 HA3 GLY 2 HA1 GLY 2 9.039 3.368 -4.663
19 HA PRO 3 HA PRO 3 5.689 3.690 -7.866
20 HB2 PRO 3 HB2 PRO 3 4.249 1.531 -7.283
21 HB3 PRO 3 HB1 PRO 3 5.718 1.389 -8.255
22 HG2 PRO 3 HG2 PRO 3 5.290 0.759 -5.369
23 HG3 PRO 3 HG1 PRO 3 6.238 -0.121 -6.576
24 HD2 PRO 3 HD2 PRO 3 7.279 1.666 -4.713
25 HD3 PRO 3 HD1 PRO 3 8.087 1.163 -6.211
26 H ASP 4 H ASP 4 3.217 3.108 -7.191
27 HA ASP 4 HA ASP 4 2.230 5.029 -5.465
28 HB2 ASP 4 HB2 ASP 4 0.966 2.358 -6.130
29 HB3 ASP 4 HB1 ASP 4 0.131 3.683 -5.347
30 H LYS 5 H LYS 5 1.860 5.114 -3.281
31 HA LYS 5 HA LYS 5 3.082 3.351 -1.480
32 HB2 LYS 5 HB2 LYS 5 0.783 5.277 -1.053
33 HB3 LYS 5 HB1 LYS 5 1.583 4.412 0.242
34 HG2 LYS 5 HG2 LYS 5 3.673 5.525 -0.274
35 HG3 LYS 5 HG1 LYS 5 2.905 6.374 -1.620
36 HD2 LYS 5 HD2 LYS 5 1.412 7.514 -0.105
37 HD3 LYS 5 HD1 LYS 5 2.022 6.580 1.259
38 HE2 LYS 5 HE2 LYS 5 3.641 8.511 -0.408
39 HE3 LYS 5 HE1 LYS 5 2.957 8.864 1.175
40 HZ1 LYS 5 HZ1 LYS 5 4.341 7.032 2.079
41 HZ2 LYS 5 HZ2 LYS 5 5.245 8.285 1.409
42 HZ3 LYS 5 HZ3 LYS 5 5.060 6.852 0.558
43 H SER 6 H SER 6 -0.085 3.447 -2.862
44 HA SER 6 HA SER 6 -1.428 1.482 -1.378
45 HB2 SER 6 HB2 SER 6 -1.689 1.953 -4.346
46 HB3 SER 6 HB1 SER 6 -2.923 1.364 -3.238
47 HG SER 6 HG SER 6 -1.854 3.837 -2.565
48 H TYR 7 H TYR 7 0.792 1.290 -4.106
49 HA TYR 7 HA TYR 7 0.348 -1.522 -4.529
50 HB2 TYR 7 HB2 TYR 7 0.932 0.209 -6.339
51 HB3 TYR 7 HB1 TYR 7 2.571 0.130 -5.714
52 HD1 TYR 7 HD1 TYR 7 3.992 -1.711 -6.238
53 HD2 TYR 7 HD2 TYR 7 -0.110 -1.797 -7.325
54 HE1 TYR 7 HE1 TYR 7 4.403 -3.683 -7.660
55 HE2 TYR 7 HE2 TYR 7 0.278 -3.758 -8.731
56 HH TYR 7 HH TYR 7 3.179 -5.522 -8.589
57 H LYS 8 H LYS 8 2.678 0.577 -3.019
58 HA LYS 8 HA LYS 8 4.611 -1.367 -2.468
59 HB2 LYS 8 HB2 LYS 8 3.952 1.201 -1.019
60 HB3 LYS 8 HB1 LYS 8 5.346 0.197 -0.641
61 HG2 LYS 8 HG2 LYS 8 6.226 0.540 -2.895
62 HG3 LYS 8 HG1 LYS 8 4.804 1.492 -3.301
63 HD2 LYS 8 HD2 LYS 8 6.738 2.909 -2.791
64 HD3 LYS 8 HD1 LYS 8 5.415 3.168 -1.660
65 HE2 LYS 8 HE2 LYS 8 7.550 3.123 -0.512
66 HE3 LYS 8 HE1 LYS 8 6.554 1.770 -0.000
67 HZ1 LYS 8 HZ1 LYS 8 8.821 1.086 -0.336
68 HZ2 LYS 8 HZ2 LYS 8 8.852 1.691 -1.888
69 HZ3 LYS 8 HZ3 LYS 8 7.897 0.355 -1.535
70 H ARG 9 H ARG 9 1.831 -0.175 -0.623
71 HA ARG 9 HA ARG 9 2.016 -1.835 1.610
72 HB2 ARG 9 HB2 ARG 9 -0.367 -0.665 0.193
73 HB3 ARG 9 HB1 ARG 9 -0.532 -1.603 1.661
74 HG2 ARG 9 HG2 ARG 9 0.883 0.032 2.827
75 HG3 ARG 9 HG1 ARG 9 0.988 0.972 1.340
76 HD2 ARG 9 HD2 ARG 9 -0.705 1.880 2.852
77 HD3 ARG 9 HD1 ARG 9 -1.426 1.296 1.354
78 HE ARG 9 HE ARG 9 -1.700 -0.823 2.994
79 HH11 ARG 9 HH11 ARG 9 -2.458 2.602 3.521
80 HH12 ARG 9 HH12 ARG 9 -3.785 2.312 4.533
81 HH21 ARG 9 HH21 ARG 9 -3.633 -1.237 4.337
82 HH22 ARG 9 HH22 ARG 9 -4.489 0.080 4.968
83 H LEU 10 H LEU 10 0.413 -2.311 -1.484
84 HA LEU 10 HA LEU 10 -0.698 -4.803 -1.024
85 HB2 LEU 10 HB2 LEU 10 -1.254 -3.440 -2.983
86 HB3 LEU 10 HB1 LEU 10 0.369 -3.651 -3.585
87 HG LEU 10 HG LEU 10 0.006 -6.005 -3.955
88 HD11 LEU 10 HD11 LEU 10 -2.194 -7.022 -3.602
89 HD12 LEU 10 HD12 LEU 10 -2.743 -5.528 -2.822
90 HD13 LEU 10 HD13 LEU 10 -1.444 -6.474 -2.104
91 HD21 LEU 10 HD21 LEU 10 -2.231 -4.317 -5.059
92 HD22 LEU 10 HD22 LEU 10 -1.684 -5.860 -5.715
93 HD23 LEU 10 HD23 LEU 10 -0.605 -4.462 -5.727
94 H GLN 11 H GLN 11 2.453 -4.052 -2.404
95 HA GLN 11 HA GLN 11 3.292 -6.652 -2.899
96 HB2 GLN 11 HB2 GLN 11 4.928 -4.217 -2.225
97 HB3 GLN 11 HB1 GLN 11 5.613 -5.730 -2.791
98 HG2 GLN 11 HG2 GLN 11 4.393 -5.525 -4.878
99 HG3 GLN 11 HG1 GLN 11 3.649 -4.031 -4.305
100 HE21 GLN 11 1HE2 GLN 11 4.891 -2.206 -4.139
101 HE22 GLN 11 2HE2 GLN 11 6.439 -2.049 -4.911
102 H GLU 12 H GLU 12 3.917 -4.669 -0.006
103 HA GLU 12 HA GLU 12 5.329 -6.757 1.267
104 HB2 GLU 12 HB2 GLU 12 5.052 -5.463 3.343
105 HB3 GLU 12 HB1 GLU 12 5.810 -4.553 2.029
106 HG2 GLU 12 HG2 GLU 12 3.628 -3.491 1.647
107 HG3 GLU 12 HG1 GLU 12 2.994 -4.369 3.042
108 H CYS 13 H CYS 13 2.047 -5.706 1.383
109 HA CYS 13 HA CYS 13 1.110 -7.357 3.412
110 HB2 CYS 13 HB2 CYS 13 -0.225 -5.544 2.360
111 HB3 CYS 13 HB1 CYS 13 -0.454 -6.582 0.959
112 H GLN 14 H GLN 14 1.170 -8.049 -0.093
113 HA GLN 14 HA GLN 14 0.129 -10.639 0.191
114 HB2 GLN 14 HB2 GLN 14 1.880 -9.566 -2.019
115 HB3 GLN 14 HB1 GLN 14 1.039 -11.108 -2.070
116 HG2 GLN 14 HG2 GLN 14 -1.100 -9.882 -1.822
117 HG3 GLN 14 HG1 GLN 14 -0.195 -8.375 -1.937
118 HE21 GLN 14 1HE2 GLN 14 0.807 -7.863 -3.897
119 HE22 GLN 14 2HE2 GLN 14 0.285 -8.548 -5.384
120 H ARG 15 H ARG 15 3.500 -9.516 0.041
121 HA ARG 15 HA ARG 15 4.702 -12.017 0.166
122 HB2 ARG 15 HB2 ARG 15 5.617 -9.330 1.142
123 HB3 ARG 15 HB1 ARG 15 6.629 -10.762 1.222
124 HG2 ARG 15 HG2 ARG 15 5.480 -9.531 -1.266
125 HG3 ARG 15 HG1 ARG 15 7.158 -9.437 -0.734
126 HD2 ARG 15 HD2 ARG 15 5.629 -11.876 -1.661
127 HD3 ARG 15 HD1 ARG 15 7.065 -11.152 -2.378
128 HE ARG 15 HE ARG 15 8.013 -11.757 -0.009
129 HH11 ARG 15 HH11 ARG 15 6.103 -13.754 -2.209
130 HH12 ARG 15 HH12 ARG 15 6.654 -15.234 -1.560
131 HH21 ARG 15 HH21 ARG 15 8.697 -13.749 0.900
132 HH22 ARG 15 HH22 ARG 15 8.150 -15.239 0.277
133 H ARG 16 H ARG 16 3.597 -9.936 2.779
134 HA ARG 16 HA ARG 16 4.513 -11.630 4.835
135 HB2 ARG 16 HB2 ARG 16 2.352 -9.557 4.796
136 HB3 ARG 16 HB1 ARG 16 2.754 -10.481 6.235
137 HG2 ARG 16 HG2 ARG 16 5.032 -9.630 6.116
138 HG3 ARG 16 HG1 ARG 16 4.579 -8.639 4.723
139 HD2 ARG 16 HD2 ARG 16 4.509 -7.382 6.848
140 HD3 ARG 16 HD1 ARG 16 2.942 -7.466 6.037
141 HE ARG 16 HE ARG 16 3.166 -9.604 7.860
142 HH11 ARG 16 HH11 ARG 16 2.706 -6.098 7.877
143 HH12 ARG 16 HH12 ARG 16 1.848 -6.094 9.345
144 HH21 ARG 16 HH21 ARG 16 2.020 -9.623 9.751
145 HH22 ARG 16 HH22 ARG 16 1.394 -8.194 10.464
146 H CYS 17 H CYS 17 1.416 -11.354 3.267
147 HA CYS 17 HA CYS 17 0.120 -13.347 4.710
148 HB2 CYS 17 HB2 CYS 17 -0.218 -12.554 1.828
149 HB3 CYS 17 HB1 CYS 17 -1.324 -13.604 2.692
150 H GLN 18 H GLN 18 2.241 -13.606 1.902
151 HA GLN 18 HA GLN 18 1.876 -16.383 1.488
152 HB2 GLN 18 HB2 GLN 18 4.190 -14.613 0.699
153 HB3 GLN 18 HB1 GLN 18 3.932 -16.251 0.118
154 HG2 GLN 18 HG2 GLN 18 1.750 -15.490 -0.811
155 HG3 GLN 18 HG1 GLN 18 2.175 -13.873 -0.325
156 HE21 GLN 18 1HE2 GLN 18 2.986 -16.428 -2.553
157 HE22 GLN 18 2HE2 GLN 18 3.910 -15.449 -3.626
158 H SER 19 H SER 19 3.780 -14.642 3.744
159 HA SER 19 HA SER 19 5.435 -16.965 4.302
160 HB2 SER 19 HB2 SER 19 5.528 -14.187 5.482
161 HB3 SER 19 HB1 SER 19 6.752 -15.449 5.661
162 HG SER 19 HG SER 19 6.177 -13.799 3.509
163 H GLU 20 H GLU 20 3.221 -14.739 6.021
164 HA GLU 20 HA GLU 20 3.305 -16.265 8.426
165 HB2 GLU 20 HB2 GLU 20 1.450 -14.047 7.591
166 HB3 GLU 20 HB1 GLU 20 1.640 -14.681 9.216
167 HG2 GLU 20 HG2 GLU 20 3.997 -13.923 9.181
168 HG3 GLU 20 HG1 GLU 20 3.701 -13.209 7.602
169 H GLN 21 H GLN 21 1.261 -16.286 5.540
170 HA GLN 21 HA GLN 21 -0.505 -18.103 6.977
171 HB2 GLN 21 HB2 GLN 21 -1.299 -16.123 4.833
172 HB3 GLN 21 HB1 GLN 21 -2.365 -17.303 5.576
173 HG2 GLN 21 HG2 GLN 21 -1.060 -14.940 6.907
174 HG3 GLN 21 HG1 GLN 21 -2.769 -15.146 6.533
175 HE21 GLN 21 1HE2 GLN 21 -1.433 -14.659 9.077
176 HE22 GLN 21 2HE2 GLN 21 -1.908 -15.930 10.130
177 H GLN 22 H GLN 22 -1.839 -19.363 5.251
178 HA GLN 22 HA GLN 22 -0.505 -19.968 2.819
179 HB2 GLN 22 HB2 GLN 22 -0.128 -22.339 3.396
180 HB3 GLN 22 HB1 GLN 22 0.918 -21.261 4.296
181 HG2 GLN 22 HG2 GLN 22 -0.712 -21.456 6.210
182 HG3 GLN 22 HG1 GLN 22 -1.536 -22.705 5.282
183 HE21 GLN 22 1HE2 GLN 22 1.279 -21.880 7.076
184 HE22 GLN 22 2HE2 GLN 22 1.910 -23.475 7.228
185 H GLY 23 H GLY 23 -1.698 -21.715 1.766
186 HA2 GLY 23 HA2 GLY 23 -3.668 -22.478 0.883
187 HA3 GLY 23 HA1 GLY 23 -3.978 -22.949 2.541
188 H GLN 24 H GLN 24 -5.793 -22.313 3.307
189 HA GLN 24 HA GLN 24 -7.561 -20.616 1.906
190 HB2 GLN 24 HB2 GLN 24 -7.767 -21.707 4.723
191 HB3 GLN 24 HB1 GLN 24 -9.066 -20.910 3.853
192 HG2 GLN 24 HG2 GLN 24 -9.055 -22.673 2.180
193 HG3 GLN 24 HG1 GLN 24 -7.719 -23.467 3.010
194 HE21 GLN 24 1HE2 GLN 24 -11.091 -22.713 3.102
195 HE22 GLN 24 2HE2 GLN 24 -11.534 -23.843 4.322
196 H ARG 25 H ARG 25 -5.644 -20.182 4.872
197 HA ARG 25 HA ARG 25 -6.593 -17.625 5.492
198 HB2 ARG 25 HB2 ARG 25 -3.965 -18.955 6.059
199 HB3 ARG 25 HB1 ARG 25 -4.486 -17.433 6.774
200 HG2 ARG 25 HG2 ARG 25 -5.947 -20.025 7.017
201 HG3 ARG 25 HG1 ARG 25 -4.818 -19.407 8.216
202 HD2 ARG 25 HD2 ARG 25 -7.387 -18.109 7.285
203 HD3 ARG 25 HD1 ARG 25 -7.127 -18.911 8.828
204 HE ARG 25 HE ARG 25 -5.388 -17.110 9.172
205 HH11 ARG 25 HH11 ARG 25 -8.267 -16.546 7.144
206 HH12 ARG 25 HH12 ARG 25 -8.489 -14.949 7.677
207 HH21 ARG 25 HH21 ARG 25 -5.719 -14.840 9.881
208 HH22 ARG 25 HH22 ARG 25 -7.017 -13.973 9.228
209 H LEU 26 H LEU 26 -4.120 -18.730 3.295
210 HA LEU 26 HA LEU 26 -2.930 -16.199 2.927
211 HB2 LEU 26 HB2 LEU 26 -1.665 -18.052 2.254
212 HB3 LEU 26 HB1 LEU 26 -2.913 -18.633 1.154
213 HG LEU 26 HG LEU 26 -2.533 -16.648 -0.261
214 HD11 LEU 26 HD11 LEU 26 -0.359 -16.028 1.708
215 HD12 LEU 26 HD12 LEU 26 -1.781 -15.061 1.276
216 HD13 LEU 26 HD13 LEU 26 -0.498 -15.311 0.100
217 HD21 LEU 26 HD21 LEU 26 -0.035 -18.222 0.283
218 HD22 LEU 26 HD22 LEU 26 -0.400 -17.231 -1.139
219 HD23 LEU 26 HD23 LEU 26 -1.358 -18.679 -0.812
220 H GLN 27 H GLN 27 -5.265 -17.949 0.908
221 HA GLN 27 HA GLN 27 -5.598 -15.892 -0.927
222 HB2 GLN 27 HB2 GLN 27 -7.778 -16.964 -1.536
223 HB3 GLN 27 HB1 GLN 27 -6.413 -18.061 -1.529
224 HG2 GLN 27 HG2 GLN 27 -7.104 -18.911 0.637
225 HG3 GLN 27 HG1 GLN 27 -8.461 -17.792 0.648
226 HE21 GLN 27 1HE2 GLN 27 -7.141 -20.676 -0.754
227 HE22 GLN 27 2HE2 GLN 27 -8.602 -21.205 -1.495
228 H GLU 28 H GLU 28 -7.197 -16.380 2.151
229 HA GLU 28 HA GLU 28 -9.091 -14.286 1.926
230 HB2 GLU 28 HB2 GLU 28 -7.736 -15.368 4.412
231 HB3 GLU 28 HB1 GLU 28 -9.173 -14.368 4.389
232 HG2 GLU 28 HG2 GLU 28 -10.395 -16.157 3.259
233 HG3 GLU 28 HG1 GLU 28 -8.941 -17.158 3.291
234 H CYS 29 H CYS 29 -5.871 -14.436 3.376
235 HA CYS 29 HA CYS 29 -5.654 -11.813 4.317
236 HB2 CYS 29 HB2 CYS 29 -4.228 -13.758 4.989
237 HB3 CYS 29 HB1 CYS 29 -3.427 -13.665 3.434
238 H GLN 30 H GLN 30 -4.287 -13.252 1.345
239 HA GLN 30 HA GLN 30 -3.192 -10.804 0.458
240 HB2 GLN 30 HB2 GLN 30 -2.678 -11.969 -1.641
241 HB3 GLN 30 HB1 GLN 30 -2.252 -12.953 -0.250
242 HG2 GLN 30 HG2 GLN 30 -4.395 -14.136 -0.525
243 HG3 GLN 30 HG1 GLN 30 -4.639 -13.280 -2.048
244 HE21 GLN 30 1HE2 GLN 30 -1.586 -13.537 -2.470
245 HE22 GLN 30 2HE2 GLN 30 -1.425 -15.168 -2.994
246 H GLN 31 H GLN 31 -6.340 -12.213 0.064
247 HA GLN 31 HA GLN 31 -7.289 -10.650 -2.081
248 HB2 GLN 31 HB2 GLN 31 -8.516 -12.583 -1.156
249 HB3 GLN 31 HB1 GLN 31 -8.782 -11.694 0.332
250 HG2 GLN 31 HG2 GLN 31 -10.781 -11.673 -1.021
251 HG3 GLN 31 HG1 GLN 31 -10.116 -10.051 -0.894
252 HE21 GLN 31 1HE2 GLN 31 -11.208 -9.431 -2.749
253 HE22 GLN 31 2HE2 GLN 31 -10.672 -9.914 -4.318
254 H ARG 32 H ARG 32 -7.210 -10.136 1.413
255 HA ARG 32 HA ARG 32 -8.512 -7.644 1.430
256 HB2 ARG 32 HB2 ARG 32 -6.557 -8.872 3.350
257 HB3 ARG 32 HB1 ARG 32 -7.286 -7.300 3.618
258 HG2 ARG 32 HG2 ARG 32 -9.497 -8.338 3.607
259 HG3 ARG 32 HG1 ARG 32 -8.733 -9.919 3.375
260 HD2 ARG 32 HD2 ARG 32 -8.154 -8.072 5.679
261 HD3 ARG 32 HD1 ARG 32 -9.313 -9.395 5.743
262 HE ARG 32 HE ARG 32 -7.510 -10.910 5.351
263 HH11 ARG 32 HH11 ARG 32 -6.443 -7.640 6.241
264 HH12 ARG 32 HH12 ARG 32 -5.041 -8.200 7.022
265 HH21 ARG 32 HH21 ARG 32 -5.577 -11.627 6.487
266 HH22 ARG 32 HH22 ARG 32 -4.543 -10.466 7.166
267 H CYS 33 H CYS 33 -5.153 -8.541 1.002
268 HA CYS 33 HA CYS 33 -3.969 -6.027 1.136
269 HB2 CYS 33 HB2 CYS 33 -3.218 -8.268 -0.747
270 HB3 CYS 33 HB1 CYS 33 -2.174 -6.965 -0.193
271 H GLN 34 H GLN 34 -5.498 -7.727 -1.550
272 HA GLN 34 HA GLN 34 -5.001 -5.805 -3.562
273 HB2 GLN 34 HB2 GLN 34 -7.255 -7.800 -3.335
274 HB3 GLN 34 HB1 GLN 34 -6.820 -6.926 -4.790
275 HG2 GLN 34 HG2 GLN 34 -4.638 -8.065 -4.790
276 HG3 GLN 34 HG1 GLN 34 -5.120 -8.948 -3.341
277 HE21 GLN 34 1HE2 GLN 34 -5.564 -8.606 -6.753
278 HE22 GLN 34 2HE2 GLN 34 -6.453 -10.068 -6.976
279 H GLN 35 H GLN 35 -7.580 -6.288 -1.244
280 HA GLN 35 HA GLN 35 -9.291 -4.321 -2.337
281 HB2 GLN 35 HB2 GLN 35 -9.261 -5.341 0.506
282 HB3 GLN 35 HB1 GLN 35 -10.558 -4.413 -0.226
283 HG2 GLN 35 HG2 GLN 35 -9.736 -7.253 -0.755
284 HG3 GLN 35 HG1 GLN 35 -11.298 -6.636 -0.225
285 HE21 GLN 35 1HE2 GLN 35 -9.260 -7.317 -2.853
286 HE22 GLN 35 2HE2 GLN 35 -10.360 -6.934 -4.130
287 H GLU 36 H GLU 36 -6.872 -4.221 0.246
288 HA GLU 36 HA GLU 36 -7.149 -1.583 1.112
289 HB2 GLU 36 HB2 GLU 36 -4.648 -3.213 0.728
290 HB3 GLU 36 HB1 GLU 36 -4.677 -1.670 1.552
291 HG2 GLU 36 HG2 GLU 36 -6.135 -2.653 3.271
292 HG3 GLU 36 HG1 GLU 36 -6.068 -4.202 2.417
293 H TYR 37 H TYR 37 -5.212 -2.932 -1.459
294 HA TYR 37 HA TYR 37 -3.895 -0.739 -2.444
295 HB2 TYR 37 HB2 TYR 37 -3.364 -2.943 -3.222
296 HB3 TYR 37 HB1 TYR 37 -4.974 -3.158 -3.889
297 HD1 TYR 37 HD1 TYR 37 -5.298 -2.794 -6.163
298 HD2 TYR 37 HD2 TYR 37 -1.992 -0.961 -4.233
299 HE1 TYR 37 HE1 TYR 37 -4.513 -1.947 -8.331
300 HE2 TYR 37 HE2 TYR 37 -1.196 -0.113 -6.368
301 HH TYR 37 HH TYR 37 -1.408 -0.621 -8.769
302 H GLN 38 H GLN 38 -7.048 -1.919 -3.507
303 HA GLN 38 HA GLN 38 -7.501 0.045 -5.487
304 HB2 GLN 38 HB2 GLN 38 -9.597 -1.424 -3.893
305 HB3 GLN 38 HB1 GLN 38 -9.809 -0.676 -5.467
306 HG2 GLN 38 HG2 GLN 38 -8.198 -2.297 -6.411
307 HG3 GLN 38 HG1 GLN 38 -8.098 -3.061 -4.830
308 HE21 GLN 38 1HE2 GLN 38 -10.036 -2.554 -7.621
309 HE22 GLN 38 2HE2 GLN 38 -11.253 -3.719 -7.262
310 H ARG 39 H ARG 39 -8.254 -0.091 -2.091
311 HA ARG 39 HA ARG 39 -9.884 2.251 -2.060
312 HB2 ARG 39 HB2 ARG 39 -8.604 0.688 0.182
313 HB3 ARG 39 HB1 ARG 39 -9.755 1.998 0.420
314 HG2 ARG 39 HG2 ARG 39 -11.484 0.744 -0.695
315 HG3 ARG 39 HG1 ARG 39 -10.338 -0.526 -1.118
316 HD2 ARG 39 HD2 ARG 39 -10.001 -0.976 1.282
317 HD3 ARG 39 HD1 ARG 39 -11.213 0.246 1.667
318 HE ARG 39 HE ARG 39 -12.701 -1.220 0.192
319 HH11 ARG 39 HH11 ARG 39 -10.185 -2.496 2.351
320 HH12 ARG 39 HH12 ARG 39 -10.973 -3.962 2.651
321 HH21 ARG 39 HH21 ARG 39 -13.812 -3.312 0.655
322 HH22 ARG 39 HH22 ARG 39 -13.059 -4.435 1.680
323 H GLU 40 H GLU 40 -6.511 1.562 -1.391
324 HA GLU 40 HA GLU 40 -6.018 4.177 -0.413
325 HB2 GLU 40 HB2 GLU 40 -4.164 1.935 -1.124
326 HB3 GLU 40 HB1 GLU 40 -3.585 3.508 -0.587
327 HG2 GLU 40 HG2 GLU 40 -5.368 1.636 0.942
328 HG3 GLU 40 HG1 GLU 40 -3.672 1.991 1.276
329 H LYS 41 H LYS 41 -5.857 2.718 -3.566
330 HA LYS 41 HA LYS 41 -4.419 4.700 -4.876
331 HB2 LYS 41 HB2 LYS 41 -6.702 2.965 -5.766
332 HB3 LYS 41 HB1 LYS 41 -5.989 4.145 -6.848
333 HG2 LYS 41 HG2 LYS 41 -4.486 1.881 -5.530
334 HG3 LYS 41 HG1 LYS 41 -5.139 1.833 -7.164
335 HD2 LYS 41 HD2 LYS 41 -2.975 3.695 -6.129
336 HD3 LYS 41 HD1 LYS 41 -2.766 2.357 -7.256
337 HE2 LYS 41 HE2 LYS 41 -4.340 3.542 -8.812
338 HE3 LYS 41 HE1 LYS 41 -4.293 4.913 -7.715
339 HZ1 LYS 41 HZ1 LYS 41 -2.742 5.330 -9.433
340 HZ2 LYS 41 HZ2 LYS 41 -2.088 3.807 -9.330
341 HZ3 LYS 41 HZ3 LYS 41 -1.773 4.918 -8.105
342 H GLY 42 H GLY 42 -7.891 4.526 -4.208
343 HA2 GLY 42 HA2 GLY 42 -9.368 6.214 -3.704
344 HA3 GLY 42 HA1 GLY 42 -8.018 7.335 -3.713
345 H GLN 43 H GLN 43 -7.170 7.753 -5.951
346 HA GLN 43 HA GLN 43 -9.425 8.668 -7.555
347 HB2 GLN 43 HB2 GLN 43 -6.477 9.256 -7.878
348 HB3 GLN 43 HB1 GLN 43 -7.768 10.025 -8.758
349 HG2 GLN 43 HG2 GLN 43 -7.124 11.584 -7.147
350 HG3 GLN 43 HG1 GLN 43 -8.601 10.860 -6.519
351 HE21 GLN 43 1HE2 GLN 43 -5.492 9.270 -6.430
352 HE22 GLN 43 2HE2 GLN 43 -5.336 9.334 -4.714
353 H HIS 44 H HIS 44 -9.587 8.193 -9.766
354 HA HIS 44 HA HIS 44 -8.199 5.753 -10.556
355 HB2 HIS 44 HB2 HIS 44 -9.805 5.680 -12.465
356 HB3 HIS 44 HB1 HIS 44 -10.613 5.718 -10.909
357 HD1 HIS 44 HD1 HIS 44 -12.076 7.826 -10.400
358 HD2 HIS 44 HD2 HIS 44 -10.185 7.894 -14.093
359 HE1 HIS 44 HE1 HIS 44 -13.160 9.687 -11.703
360 H GLN 45 H GLN 45 -7.893 8.999 -10.839
361 HA GLN 45 HA GLN 45 -6.655 9.112 -13.432
362 HB2 GLN 45 HB2 GLN 45 -6.887 11.115 -11.202
363 HB3 GLN 45 HB1 GLN 45 -6.138 11.443 -12.757
364 HG2 GLN 45 HG2 GLN 45 -8.237 11.041 -13.884
365 HG3 GLN 45 HG1 GLN 45 -9.002 10.622 -12.355
366 HE21 GLN 45 1HE2 GLN 45 -6.686 13.242 -12.707
367 HE22 GLN 45 2HE2 GLN 45 -7.833 14.499 -12.426
368 H GLY 46 H GLY 46 -4.478 9.534 -13.806
369 HA2 GLY 46 HA2 GLY 46 -2.744 8.279 -11.862
370 HA3 GLY 46 HA1 GLY 46 -2.354 8.666 -13.530
371 H GLU 47 H GLU 47 -2.687 9.939 -10.311
372 HA GLU 47 HA GLU 47 -1.621 11.491 -9.145
373 HB2 GLU 47 HB2 GLU 47 0.359 11.424 -11.389
374 HB3 GLU 47 HB1 GLU 47 0.641 12.244 -9.848
375 HG2 GLU 47 HG2 GLU 47 0.301 10.039 -8.730
376 HG3 GLU 47 HG1 GLU 47 0.232 9.301 -10.327
377 H THR 48 H THR 48 -3.255 12.290 -11.706
378 HA THR 48 HA THR 48 -2.622 15.098 -11.809
379 HB THR 48 HB THR 48 -4.806 15.064 -13.221
380 HG1 THR 48 HG1 THR 48 -4.853 12.694 -14.049
381 HG21 THR 48 HG21 THR 48 -3.598 14.186 -15.173
382 HG22 THR 48 HG22 THR 48 -2.412 13.442 -14.104
383 HG23 THR 48 HG23 THR 48 -2.536 15.199 -14.192
384 H ASN 49 H ASN 49 -4.381 13.031 -9.868
385 HA ASN 49 HA ASN 49 -5.706 15.155 -8.478
386 HB2 ASN 49 HB2 ASN 49 -7.421 14.245 -10.047
387 HB3 ASN 49 HB1 ASN 49 -7.070 12.624 -9.479
388 HD21 ASN 49 HD21 ASN 49 -7.247 15.367 -7.292
389 HD22 ASN 49 HD22 ASN 49 -8.703 14.886 -6.529
Start of MODEL 14
1 H1 ARG 1 HT1 ARG 1 8.031 5.605 -14.060
2 H2 ARG 1 HT2 ARG 1 6.800 6.694 -14.386
3 H3 ARG 1 HT3 ARG 1 6.633 5.048 -14.789
4 HA ARG 1 HA ARG 1 6.924 6.057 -12.043
5 HB2 ARG 1 HB2 ARG 1 4.491 5.044 -13.539
6 HB3 ARG 1 HB1 ARG 1 4.571 5.138 -11.791
7 HG2 ARG 1 HG2 ARG 1 4.844 7.494 -13.655
8 HG3 ARG 1 HG1 ARG 1 3.365 7.022 -12.822
9 HD2 ARG 1 HD2 ARG 1 5.957 7.784 -11.458
10 HD3 ARG 1 HD1 ARG 1 4.558 8.836 -11.647
11 HE ARG 1 HE ARG 1 3.417 6.829 -10.390
12 HH11 ARG 1 HH11 ARG 1 6.565 8.306 -9.668
13 HH12 ARG 1 HH12 ARG 1 6.471 7.995 -8.007
14 HH21 ARG 1 HH21 ARG 1 3.310 6.374 -8.095
15 HH22 ARG 1 HH22 ARG 1 4.599 6.847 -7.093
16 H GLY 2 H GLY 2 7.884 4.594 -10.831
17 HA2 GLY 2 HA2 GLY 2 7.996 1.828 -11.679
18 HA3 GLY 2 HA1 GLY 2 8.761 2.528 -10.250
19 HA PRO 3 HA PRO 3 5.096 0.034 -8.718
20 HB2 PRO 3 HB2 PRO 3 7.050 -0.004 -6.467
21 HB3 PRO 3 HB1 PRO 3 5.979 -1.293 -7.041
22 HG2 PRO 3 HG2 PRO 3 8.491 -1.473 -7.686
23 HG3 PRO 3 HG1 PRO 3 7.219 -1.658 -8.933
24 HD2 PRO 3 HD2 PRO 3 8.902 0.771 -8.370
25 HD3 PRO 3 HD1 PRO 3 8.596 -0.026 -9.932
26 H ASP 4 H ASP 4 3.636 1.243 -8.049
27 HA ASP 4 HA ASP 4 4.053 3.815 -6.842
28 HB2 ASP 4 HB2 ASP 4 2.088 3.305 -8.342
29 HB3 ASP 4 HB1 ASP 4 1.458 2.304 -7.027
30 H LYS 5 H LYS 5 2.887 4.408 -4.892
31 HA LYS 5 HA LYS 5 3.992 3.200 -2.618
32 HB2 LYS 5 HB2 LYS 5 1.592 5.017 -2.802
33 HB3 LYS 5 HB1 LYS 5 2.526 4.701 -1.350
34 HG2 LYS 5 HG2 LYS 5 4.453 5.789 -2.287
35 HG3 LYS 5 HG1 LYS 5 3.631 5.973 -3.837
36 HD2 LYS 5 HD2 LYS 5 1.983 7.436 -2.794
37 HD3 LYS 5 HD1 LYS 5 2.780 7.227 -1.234
38 HE2 LYS 5 HE2 LYS 5 4.771 8.291 -2.048
39 HE3 LYS 5 HE1 LYS 5 4.116 8.361 -3.683
40 HZ1 LYS 5 HZ1 LYS 5 2.984 9.798 -1.333
41 HZ2 LYS 5 HZ2 LYS 5 2.424 9.869 -2.913
42 HZ3 LYS 5 HZ3 LYS 5 3.926 10.486 -2.550
43 H SER 6 H SER 6 0.630 3.191 -3.788
44 HA SER 6 HA SER 6 -0.395 1.500 -1.774
45 HB2 SER 6 HB2 SER 6 -1.435 1.839 -4.572
46 HB3 SER 6 HB1 SER 6 -2.348 1.438 -3.121
47 HG SER 6 HG SER 6 -1.456 3.574 -2.340
48 H TYR 7 H TYR 7 1.181 0.941 -4.827
49 HA TYR 7 HA TYR 7 0.320 -1.783 -5.041
50 HB2 TYR 7 HB2 TYR 7 0.822 -0.341 -7.037
51 HB3 TYR 7 HB1 TYR 7 2.525 -0.432 -6.594
52 HD1 TYR 7 HD1 TYR 7 3.828 -2.213 -7.374
53 HD2 TYR 7 HD2 TYR 7 -0.400 -2.559 -7.344
54 HE1 TYR 7 HE1 TYR 7 3.994 -4.377 -8.555
55 HE2 TYR 7 HE2 TYR 7 -0.257 -4.694 -8.499
56 HH TYR 7 HH TYR 7 2.661 -6.372 -8.807
57 H LYS 8 H LYS 8 3.202 -0.064 -3.996
58 HA LYS 8 HA LYS 8 4.737 -2.367 -3.635
59 HB2 LYS 8 HB2 LYS 8 5.649 -0.037 -3.706
60 HB3 LYS 8 HB1 LYS 8 4.953 0.228 -2.112
61 HG2 LYS 8 HG2 LYS 8 6.385 -1.491 -1.165
62 HG3 LYS 8 HG1 LYS 8 7.042 -1.853 -2.759
63 HD2 LYS 8 HD2 LYS 8 8.615 -0.458 -1.593
64 HD3 LYS 8 HD1 LYS 8 7.861 0.488 -2.880
65 HE2 LYS 8 HE2 LYS 8 7.999 1.833 -0.892
66 HE3 LYS 8 HE1 LYS 8 6.313 1.449 -1.217
67 HZ1 LYS 8 HZ1 LYS 8 6.732 1.202 1.082
68 HZ2 LYS 8 HZ2 LYS 8 8.079 0.256 0.827
69 HZ3 LYS 8 HZ3 LYS 8 6.554 -0.387 0.509
70 H ARG 9 H ARG 9 2.544 -0.536 -1.544
71 HA ARG 9 HA ARG 9 2.831 -2.054 0.787
72 HB2 ARG 9 HB2 ARG 9 0.288 -0.823 -0.268
73 HB3 ARG 9 HB1 ARG 9 0.529 -1.387 1.374
74 HG2 ARG 9 HG2 ARG 9 2.379 0.346 1.514
75 HG3 ARG 9 HG1 ARG 9 1.727 0.990 0.004
76 HD2 ARG 9 HD2 ARG 9 0.719 2.195 1.799
77 HD3 ARG 9 HD1 ARG 9 -0.504 1.111 1.129
78 HE ARG 9 HE ARG 9 1.064 0.419 3.501
79 HH11 ARG 9 HH11 ARG 9 -2.118 0.674 1.917
80 HH12 ARG 9 HH12 ARG 9 -2.977 0.194 3.284
81 HH21 ARG 9 HH21 ARG 9 -0.127 -0.287 5.352
82 HH22 ARG 9 HH22 ARG 9 -1.829 -0.398 5.279
83 H LEU 10 H LEU 10 0.714 -2.519 -2.007
84 HA LEU 10 HA LEU 10 -0.585 -4.823 -1.166
85 HB2 LEU 10 HB2 LEU 10 -1.373 -3.692 -3.134
86 HB3 LEU 10 HB1 LEU 10 0.170 -3.901 -3.926
87 HG LEU 10 HG LEU 10 -0.188 -6.274 -4.165
88 HD11 LEU 10 HD11 LEU 10 -1.345 -6.786 -2.167
89 HD12 LEU 10 HD12 LEU 10 -2.333 -7.316 -3.528
90 HD13 LEU 10 HD13 LEU 10 -2.751 -5.837 -2.649
91 HD21 LEU 10 HD21 LEU 10 -2.101 -6.253 -5.690
92 HD22 LEU 10 HD22 LEU 10 -1.073 -4.836 -5.908
93 HD23 LEU 10 HD23 LEU 10 -2.601 -4.693 -5.037
94 H GLN 11 H GLN 11 2.379 -4.538 -3.069
95 HA GLN 11 HA GLN 11 2.958 -7.244 -3.388
96 HB2 GLN 11 HB2 GLN 11 4.859 -4.917 -3.075
97 HB3 GLN 11 HB1 GLN 11 5.345 -6.526 -3.582
98 HG2 GLN 11 HG2 GLN 11 3.988 -6.334 -5.580
99 HG3 GLN 11 HG1 GLN 11 3.410 -4.752 -5.053
100 HE21 GLN 11 1HE2 GLN 11 4.763 -3.010 -5.180
101 HE22 GLN 11 2HE2 GLN 11 6.281 -3.038 -6.013
102 H GLU 12 H GLU 12 4.127 -5.019 -0.901
103 HA GLU 12 HA GLU 12 5.544 -6.879 0.610
104 HB2 GLU 12 HB2 GLU 12 4.169 -4.342 1.516
105 HB3 GLU 12 HB1 GLU 12 5.372 -5.230 2.441
106 HG2 GLU 12 HG2 GLU 12 7.039 -4.798 0.705
107 HG3 GLU 12 HG1 GLU 12 5.831 -3.942 -0.242
108 H CYS 13 H CYS 13 2.190 -5.790 0.882
109 HA CYS 13 HA CYS 13 1.480 -7.177 3.187
110 HB2 CYS 13 HB2 CYS 13 0.140 -5.364 2.152
111 HB3 CYS 13 HB1 CYS 13 -0.305 -6.465 0.858
112 H GLN 14 H GLN 14 1.044 -8.183 -0.220
113 HA GLN 14 HA GLN 14 -0.040 -10.691 0.561
114 HB2 GLN 14 HB2 GLN 14 0.211 -11.366 -1.817
115 HB3 GLN 14 HB1 GLN 14 -0.673 -9.869 -1.592
116 HG2 GLN 14 HG2 GLN 14 1.165 -8.590 -2.315
117 HG3 GLN 14 HG1 GLN 14 2.232 -10.010 -2.376
118 HE21 GLN 14 1HE2 GLN 14 -0.325 -8.260 -3.858
119 HE22 GLN 14 2HE2 GLN 14 -0.369 -9.141 -5.339
120 H ARG 15 H ARG 15 3.221 -9.624 -0.108
121 HA ARG 15 HA ARG 15 4.361 -12.205 -0.109
122 HB2 ARG 15 HB2 ARG 15 5.528 -9.503 0.539
123 HB3 ARG 15 HB1 ARG 15 6.478 -10.981 0.506
124 HG2 ARG 15 HG2 ARG 15 4.916 -9.895 -1.822
125 HG3 ARG 15 HG1 ARG 15 6.642 -9.650 -1.574
126 HD2 ARG 15 HD2 ARG 15 5.226 -12.296 -1.962
127 HD3 ARG 15 HD1 ARG 15 6.260 -11.483 -3.130
128 HE ARG 15 HE ARG 15 7.863 -11.726 -1.004
129 HH11 ARG 15 HH11 ARG 15 5.962 -14.083 -2.816
130 HH12 ARG 15 HH12 ARG 15 6.944 -15.409 -2.425
131 HH21 ARG 15 HH21 ARG 15 9.245 -13.520 -0.475
132 HH22 ARG 15 HH22 ARG 15 8.884 -15.066 -1.058
133 H ARG 16 H ARG 16 3.665 -9.895 2.463
134 HA ARG 16 HA ARG 16 4.783 -11.460 4.533
135 HB2 ARG 16 HB2 ARG 16 2.548 -9.438 4.654
136 HB3 ARG 16 HB1 ARG 16 3.328 -10.149 6.055
137 HG2 ARG 16 HG2 ARG 16 4.708 -8.438 3.991
138 HG3 ARG 16 HG1 ARG 16 4.077 -7.852 5.525
139 HD2 ARG 16 HD2 ARG 16 6.432 -8.185 5.769
140 HD3 ARG 16 HD1 ARG 16 5.612 -9.454 6.675
141 HE ARG 16 HE ARG 16 6.205 -10.370 4.088
142 HH11 ARG 16 HH11 ARG 16 7.952 -9.479 7.047
143 HH12 ARG 16 HH12 ARG 16 9.189 -10.615 6.787
144 HH21 ARG 16 HH21 ARG 16 7.926 -11.934 3.793
145 HH22 ARG 16 HH22 ARG 16 9.174 -12.022 4.937
146 H CYS 17 H CYS 17 1.570 -11.316 3.147
147 HA CYS 17 HA CYS 17 0.324 -13.139 4.828
148 HB2 CYS 17 HB2 CYS 17 -0.118 -12.635 1.890
149 HB3 CYS 17 HB1 CYS 17 -1.147 -13.675 2.861
150 H GLN 18 H GLN 18 2.366 -13.745 2.001
151 HA GLN 18 HA GLN 18 1.967 -16.530 1.979
152 HB2 GLN 18 HB2 GLN 18 4.162 -14.827 0.829
153 HB3 GLN 18 HB1 GLN 18 3.970 -16.550 0.513
154 HG2 GLN 18 HG2 GLN 18 1.703 -16.081 -0.323
155 HG3 GLN 18 HG1 GLN 18 2.012 -14.385 -0.100
156 HE21 GLN 18 1HE2 GLN 18 3.248 -13.287 -1.464
157 HE22 GLN 18 2HE2 GLN 18 3.803 -13.903 -2.988
158 H SER 19 H SER 19 3.813 -14.585 4.037
159 HA SER 19 HA SER 19 5.478 -16.825 4.835
160 HB2 SER 19 HB2 SER 19 5.509 -13.940 5.750
161 HB3 SER 19 HB1 SER 19 6.721 -15.168 6.125
162 HG SER 19 HG SER 19 6.907 -15.374 3.775
163 H GLU 20 H GLU 20 2.974 -14.635 6.139
164 HA GLU 20 HA GLU 20 3.044 -15.966 8.702
165 HB2 GLU 20 HB2 GLU 20 1.162 -13.837 7.722
166 HB3 GLU 20 HB1 GLU 20 1.351 -14.374 9.380
167 HG2 GLU 20 HG2 GLU 20 3.740 -13.595 9.230
168 HG3 GLU 20 HG1 GLU 20 3.308 -12.863 7.693
169 H GLN 21 H GLN 21 1.155 -16.258 5.787
170 HA GLN 21 HA GLN 21 -0.831 -17.876 7.245
171 HB2 GLN 21 HB2 GLN 21 -1.419 -16.291 4.744
172 HB3 GLN 21 HB1 GLN 21 -2.565 -17.037 5.841
173 HG2 GLN 21 HG2 GLN 21 -0.888 -14.588 6.372
174 HG3 GLN 21 HG1 GLN 21 -2.617 -14.627 6.059
175 HE21 GLN 21 1HE2 GLN 21 -1.152 -13.551 8.297
176 HE22 GLN 21 2HE2 GLN 21 -1.734 -14.360 9.703
177 H GLN 22 H GLN 22 -2.003 -19.334 5.558
178 HA GLN 22 HA GLN 22 -0.540 -19.967 3.192
179 HB2 GLN 22 HB2 GLN 22 -0.242 -22.366 3.818
180 HB3 GLN 22 HB1 GLN 22 0.788 -21.266 4.714
181 HG2 GLN 22 HG2 GLN 22 -0.780 -21.418 6.618
182 HG3 GLN 22 HG1 GLN 22 -1.734 -22.582 5.697
183 HE21 GLN 22 1HE2 GLN 22 -0.303 -22.846 8.243
184 HE22 GLN 22 2HE2 GLN 22 0.766 -24.175 8.030
185 H GLY 23 H GLY 23 -1.614 -21.760 2.042
186 HA2 GLY 23 HA2 GLY 23 -3.451 -22.676 1.035
187 HA3 GLY 23 HA1 GLY 23 -4.067 -22.900 2.660
188 H GLN 24 H GLN 24 -6.092 -22.311 2.619
189 HA GLN 24 HA GLN 24 -7.272 -20.424 0.899
190 HB2 GLN 24 HB2 GLN 24 -8.656 -22.130 1.823
191 HB3 GLN 24 HB1 GLN 24 -8.209 -21.695 3.465
192 HG2 GLN 24 HG2 GLN 24 -9.360 -19.533 3.171
193 HG3 GLN 24 HG1 GLN 24 -9.879 -20.058 1.574
194 HE21 GLN 24 1HE2 GLN 24 -11.280 -19.356 4.077
195 HE22 GLN 24 2HE2 GLN 24 -12.367 -20.679 4.356
196 H ARG 25 H ARG 25 -6.017 -20.216 4.155
197 HA ARG 25 HA ARG 25 -7.151 -17.676 4.757
198 HB2 ARG 25 HB2 ARG 25 -4.700 -18.904 5.984
199 HB3 ARG 25 HB1 ARG 25 -5.786 -17.732 6.723
200 HG2 ARG 25 HG2 ARG 25 -6.514 -20.555 5.982
201 HG3 ARG 25 HG1 ARG 25 -6.123 -20.010 7.605
202 HD2 ARG 25 HD2 ARG 25 -8.371 -18.820 5.989
203 HD3 ARG 25 HD1 ARG 25 -8.592 -20.250 6.982
204 HE ARG 25 HE ARG 25 -7.470 -18.457 8.662
205 HH11 ARG 25 HH11 ARG 25 -10.249 -18.131 6.474
206 HH12 ARG 25 HH12 ARG 25 -11.236 -17.379 7.630
207 HH21 ARG 25 HH21 ARG 25 -8.838 -17.378 10.234
208 HH22 ARG 25 HH22 ARG 25 -10.417 -16.915 9.810
209 H LEU 26 H LEU 26 -4.259 -18.746 3.200
210 HA LEU 26 HA LEU 26 -2.922 -16.252 3.102
211 HB2 LEU 26 HB2 LEU 26 -1.628 -18.047 2.637
212 HB3 LEU 26 HB1 LEU 26 -2.755 -18.784 1.500
213 HG LEU 26 HG LEU 26 -2.136 -16.990 -0.118
214 HD11 LEU 26 HD11 LEU 26 -1.500 -15.292 1.452
215 HD12 LEU 26 HD12 LEU 26 -0.194 -15.611 0.324
216 HD13 LEU 26 HD13 LEU 26 -0.112 -16.244 1.977
217 HD21 LEU 26 HD21 LEU 26 -1.025 -19.150 -0.201
218 HD22 LEU 26 HD22 LEU 26 0.171 -18.594 0.969
219 HD23 LEU 26 HD23 LEU 26 0.090 -17.853 -0.630
220 H GLN 27 H GLN 27 -5.183 -17.854 0.976
221 HA GLN 27 HA GLN 27 -5.213 -15.900 -1.057
222 HB2 GLN 27 HB2 GLN 27 -7.401 -17.802 -0.222
223 HB3 GLN 27 HB1 GLN 27 -7.278 -16.984 -1.777
224 HG2 GLN 27 HG2 GLN 27 -5.284 -18.191 -2.321
225 HG3 GLN 27 HG1 GLN 27 -5.228 -18.907 -0.715
226 HE21 GLN 27 1HE2 GLN 27 -5.299 -20.955 -1.470
227 HE22 GLN 27 2HE2 GLN 27 -6.719 -21.662 -2.158
228 H GLU 28 H GLU 28 -7.172 -16.374 1.844
229 HA GLU 28 HA GLU 28 -8.846 -14.129 1.503
230 HB2 GLU 28 HB2 GLU 28 -8.020 -15.543 4.052
231 HB3 GLU 28 HB1 GLU 28 -9.313 -14.361 3.938
232 HG2 GLU 28 HG2 GLU 28 -10.482 -15.889 2.349
233 HG3 GLU 28 HG1 GLU 28 -9.221 -17.081 2.644
234 H CYS 29 H CYS 29 -5.752 -14.564 3.149
235 HA CYS 29 HA CYS 29 -5.559 -11.990 4.255
236 HB2 CYS 29 HB2 CYS 29 -4.134 -13.918 4.900
237 HB3 CYS 29 HB1 CYS 29 -3.288 -13.775 3.366
238 H GLN 30 H GLN 30 -4.214 -13.297 1.232
239 HA GLN 30 HA GLN 30 -3.171 -10.840 0.350
240 HB2 GLN 30 HB2 GLN 30 -4.009 -13.278 -1.192
241 HB3 GLN 30 HB1 GLN 30 -3.257 -11.877 -1.957
242 HG2 GLN 30 HG2 GLN 30 -1.321 -12.212 -0.457
243 HG3 GLN 30 HG1 GLN 30 -2.097 -13.683 0.132
244 HE21 GLN 30 1HE2 GLN 30 -2.301 -15.398 -1.237
245 HE22 GLN 30 2HE2 GLN 30 -1.356 -15.580 -2.668
246 H GLN 31 H GLN 31 -6.360 -12.210 0.105
247 HA GLN 31 HA GLN 31 -7.474 -10.480 -1.783
248 HB2 GLN 31 HB2 GLN 31 -8.561 -12.537 -0.871
249 HB3 GLN 31 HB1 GLN 31 -8.816 -11.690 0.641
250 HG2 GLN 31 HG2 GLN 31 -10.237 -10.063 -0.537
251 HG3 GLN 31 HG1 GLN 31 -10.011 -10.982 -2.024
252 HE21 GLN 31 1HE2 GLN 31 -11.456 -10.938 1.095
253 HE22 GLN 31 2HE2 GLN 31 -12.554 -12.242 0.863
254 H ARG 32 H ARG 32 -7.037 -10.185 1.710
255 HA ARG 32 HA ARG 32 -8.331 -7.728 2.162
256 HB2 ARG 32 HB2 ARG 32 -5.751 -8.590 3.449
257 HB3 ARG 32 HB1 ARG 32 -6.890 -7.427 4.079
258 HG2 ARG 32 HG2 ARG 32 -8.495 -9.226 4.459
259 HG3 ARG 32 HG1 ARG 32 -7.326 -10.390 3.810
260 HD2 ARG 32 HD2 ARG 32 -7.011 -8.636 6.234
261 HD3 ARG 32 HD1 ARG 32 -7.101 -10.398 6.201
262 HE ARG 32 HE ARG 32 -4.993 -10.001 4.667
263 HH11 ARG 32 HH11 ARG 32 -5.761 -8.537 7.797
264 HH12 ARG 32 HH12 ARG 32 -4.139 -8.266 8.227
265 HH21 ARG 32 HH21 ARG 32 -2.718 -9.579 5.282
266 HH22 ARG 32 HH22 ARG 32 -2.405 -8.822 6.764
267 H CYS 33 H CYS 33 -5.004 -8.486 1.296
268 HA CYS 33 HA CYS 33 -3.976 -5.892 1.213
269 HB2 CYS 33 HB2 CYS 33 -3.142 -8.241 -0.492
270 HB3 CYS 33 HB1 CYS 33 -2.155 -6.850 -0.059
271 H GLN 34 H GLN 34 -5.522 -7.867 -1.283
272 HA GLN 34 HA GLN 34 -5.279 -6.034 -3.396
273 HB2 GLN 34 HB2 GLN 34 -7.391 -8.141 -2.901
274 HB3 GLN 34 HB1 GLN 34 -7.188 -7.276 -4.417
275 HG2 GLN 34 HG2 GLN 34 -5.118 -9.055 -3.137
276 HG3 GLN 34 HG1 GLN 34 -6.197 -9.533 -4.443
277 HE21 GLN 34 1HE2 GLN 34 -6.010 -6.989 -5.851
278 HE22 GLN 34 2HE2 GLN 34 -4.429 -6.958 -6.547
279 H GLN 35 H GLN 35 -7.727 -6.471 -0.892
280 HA GLN 35 HA GLN 35 -9.536 -4.524 -1.833
281 HB2 GLN 35 HB2 GLN 35 -9.065 -5.377 1.033
282 HB3 GLN 35 HB1 GLN 35 -10.433 -4.436 0.471
283 HG2 GLN 35 HG2 GLN 35 -9.790 -7.308 -0.151
284 HG3 GLN 35 HG1 GLN 35 -11.152 -6.684 0.774
285 HE21 GLN 35 1HE2 GLN 35 -9.863 -7.294 -2.329
286 HE22 GLN 35 2HE2 GLN 35 -11.267 -6.892 -3.250
287 H GLU 36 H GLU 36 -6.758 -4.317 0.297
288 HA GLU 36 HA GLU 36 -7.014 -1.615 1.022
289 HB2 GLU 36 HB2 GLU 36 -4.587 -3.359 0.758
290 HB3 GLU 36 HB1 GLU 36 -4.533 -1.731 1.408
291 HG2 GLU 36 HG2 GLU 36 -5.985 -4.124 2.507
292 HG3 GLU 36 HG1 GLU 36 -4.611 -3.289 3.228
293 H TYR 37 H TYR 37 -5.230 -3.144 -1.540
294 HA TYR 37 HA TYR 37 -4.217 -0.870 -2.786
295 HB2 TYR 37 HB2 TYR 37 -3.507 -3.158 -3.344
296 HB3 TYR 37 HB1 TYR 37 -5.077 -3.476 -4.063
297 HD1 TYR 37 HD1 TYR 37 -5.361 -3.153 -6.343
298 HD2 TYR 37 HD2 TYR 37 -2.160 -1.181 -4.366
299 HE1 TYR 37 HE1 TYR 37 -4.529 -2.343 -8.507
300 HE2 TYR 37 HE2 TYR 37 -1.323 -0.362 -6.507
301 HH TYR 37 HH TYR 37 -3.186 -0.448 -9.305
302 H GLN 38 H GLN 38 -7.362 -2.416 -3.116
303 HA GLN 38 HA GLN 38 -8.296 -0.657 -5.155
304 HB2 GLN 38 HB2 GLN 38 -9.923 -2.366 -3.255
305 HB3 GLN 38 HB1 GLN 38 -10.535 -1.585 -4.705
306 HG2 GLN 38 HG2 GLN 38 -8.479 -3.783 -4.581
307 HG3 GLN 38 HG1 GLN 38 -10.150 -3.938 -5.107
308 HE21 GLN 38 1HE2 GLN 38 -10.715 -3.186 -7.121
309 HE22 GLN 38 2HE2 GLN 38 -9.553 -2.787 -8.332
310 H ARG 39 H ARG 39 -8.285 -0.569 -1.682
311 HA ARG 39 HA ARG 39 -10.035 1.673 -1.405
312 HB2 ARG 39 HB2 ARG 39 -7.794 0.764 0.432
313 HB3 ARG 39 HB1 ARG 39 -8.992 1.977 0.836
314 HG2 ARG 39 HG2 ARG 39 -9.492 -0.957 0.353
315 HG3 ARG 39 HG1 ARG 39 -9.527 -0.119 1.905
316 HD2 ARG 39 HD2 ARG 39 -11.371 0.335 -0.426
317 HD3 ARG 39 HD1 ARG 39 -11.779 -0.485 1.078
318 HE ARG 39 HE ARG 39 -11.246 1.692 2.163
319 HH11 ARG 39 HH11 ARG 39 -12.511 1.504 -1.146
320 HH12 ARG 39 HH12 ARG 39 -13.194 3.071 -1.110
321 HH21 ARG 39 HH21 ARG 39 -12.215 3.879 2.170
322 HH22 ARG 39 HH22 ARG 39 -13.026 4.424 0.774
323 H GLU 40 H GLU 40 -6.613 1.253 -1.831
324 HA GLU 40 HA GLU 40 -6.063 4.061 -1.594
325 HB2 GLU 40 HB2 GLU 40 -4.283 1.746 -2.252
326 HB3 GLU 40 HB1 GLU 40 -3.732 3.396 -1.998
327 HG2 GLU 40 HG2 GLU 40 -4.678 3.297 0.286
328 HG3 GLU 40 HG1 GLU 40 -5.077 1.606 -0.004
329 H LYS 41 H LYS 41 -7.307 2.367 -4.124
330 HA LYS 41 HA LYS 41 -5.763 3.790 -6.137
331 HB2 LYS 41 HB2 LYS 41 -7.207 2.804 -7.819
332 HB3 LYS 41 HB1 LYS 41 -6.678 1.555 -6.695
333 HG2 LYS 41 HG2 LYS 41 -8.834 1.568 -5.624
334 HG3 LYS 41 HG1 LYS 41 -9.355 2.916 -6.633
335 HD2 LYS 41 HD2 LYS 41 -9.137 1.530 -8.618
336 HD3 LYS 41 HD1 LYS 41 -8.574 0.180 -7.632
337 HE2 LYS 41 HE2 LYS 41 -10.682 0.038 -6.509
338 HE3 LYS 41 HE1 LYS 41 -11.259 1.510 -7.279
339 HZ1 LYS 41 HZ1 LYS 41 -10.641 -1.048 -8.677
340 HZ2 LYS 41 HZ2 LYS 41 -11.158 0.366 -9.413
341 HZ3 LYS 41 HZ3 LYS 41 -12.171 -0.434 -8.345
342 H GLY 42 H GLY 42 -8.394 4.287 -4.185
343 HA2 GLY 42 HA2 GLY 42 -9.149 6.699 -5.693
344 HA3 GLY 42 HA1 GLY 42 -10.255 5.806 -4.646
345 H GLN 43 H GLN 43 -7.295 7.659 -4.662
346 HA GLN 43 HA GLN 43 -7.305 7.929 -1.800
347 HB2 GLN 43 HB2 GLN 43 -5.533 9.134 -3.924
348 HB3 GLN 43 HB1 GLN 43 -5.297 9.353 -2.194
349 HG2 GLN 43 HG2 GLN 43 -4.872 7.048 -1.874
350 HG3 GLN 43 HG1 GLN 43 -5.386 6.665 -3.512
351 HE21 GLN 43 1HE2 GLN 43 -3.527 5.691 -3.989
352 HE22 GLN 43 2HE2 GLN 43 -2.023 6.514 -4.237
353 H HIS 44 H HIS 44 -9.392 8.811 -1.768
354 HA HIS 44 HA HIS 44 -9.706 11.556 -2.696
355 HB2 HIS 44 HB2 HIS 44 -11.459 9.626 -2.885
356 HB3 HIS 44 HB1 HIS 44 -11.762 9.936 -1.184
357 HD1 HIS 44 HD1 HIS 44 -12.676 11.080 -4.560
358 HD2 HIS 44 HD2 HIS 44 -12.865 12.579 -0.688
359 HE1 HIS 44 HE1 HIS 44 -14.275 13.024 -4.636
360 H GLN 45 H GLN 45 -8.146 10.295 -0.279
361 HA GLN 45 HA GLN 45 -9.273 11.490 2.060
362 HB2 GLN 45 HB2 GLN 45 -6.465 10.477 1.571
363 HB3 GLN 45 HB1 GLN 45 -7.191 10.801 3.131
364 HG2 GLN 45 HG2 GLN 45 -8.776 8.955 2.755
365 HG3 GLN 45 HG1 GLN 45 -8.028 8.650 1.192
366 HE21 GLN 45 1HE2 GLN 45 -6.212 9.512 4.085
367 HE22 GLN 45 2HE2 GLN 45 -5.432 7.990 4.273
368 H GLY 46 H GLY 46 -9.296 13.693 2.242
369 HA2 GLY 46 HA2 GLY 46 -8.042 15.642 2.742
370 HA3 GLY 46 HA1 GLY 46 -6.799 15.088 1.630
371 H GLU 47 H GLU 47 -9.631 14.469 0.113
372 HA GLU 47 HA GLU 47 -9.238 16.679 -1.646
373 HB2 GLU 47 HB2 GLU 47 -11.343 14.524 -1.681
374 HB3 GLU 47 HB1 GLU 47 -11.104 15.725 -2.939
375 HG2 GLU 47 HG2 GLU 47 -9.169 13.596 -2.098
376 HG3 GLU 47 HG1 GLU 47 -10.115 13.638 -3.586
377 H THR 48 H THR 48 -9.827 18.547 -0.837
378 HA THR 48 HA THR 48 -12.522 18.771 0.260
379 HB THR 48 HB THR 48 -10.588 19.600 1.654
380 HG1 THR 48 HG1 THR 48 -12.576 21.462 0.845
381 HG21 THR 48 HG21 THR 48 -9.557 21.766 1.064
382 HG22 THR 48 HG22 THR 48 -10.399 21.731 -0.487
383 HG23 THR 48 HG23 THR 48 -9.176 20.516 -0.119
384 H ASN 49 H ASN 49 -10.790 19.181 -2.544
385 HA ASN 49 HA ASN 49 -12.877 20.895 -3.577
386 HB2 ASN 49 HB2 ASN 49 -11.239 22.105 -5.082
387 HB3 ASN 49 HB1 ASN 49 -11.077 22.478 -3.378
388 HD21 ASN 49 HD21 ASN 49 -9.554 21.146 -6.164
389 HD22 ASN 49 HD22 ASN 49 -7.995 20.911 -5.467
Start of MODEL 15
1 H1 ARG 1 HT1 ARG 1 11.077 2.808 -11.247
2 H2 ARG 1 HT2 ARG 1 12.232 1.636 -11.031
3 H3 ARG 1 HT3 ARG 1 12.717 3.248 -11.198
4 HA ARG 1 HA ARG 1 12.877 2.566 -8.915
5 HB2 ARG 1 HB2 ARG 1 11.390 4.215 -7.860
6 HB3 ARG 1 HB1 ARG 1 12.117 4.882 -9.309
7 HG2 ARG 1 HG2 ARG 1 10.085 4.732 -10.520
8 HG3 ARG 1 HG1 ARG 1 9.358 3.683 -9.299
9 HD2 ARG 1 HD2 ARG 1 9.373 5.503 -7.694
10 HD3 ARG 1 HD1 ARG 1 10.180 6.544 -8.862
11 HE ARG 1 HE ARG 1 8.219 6.597 -10.149
12 HH11 ARG 1 HH11 ARG 1 7.621 4.770 -7.165
13 HH12 ARG 1 HH12 ARG 1 6.045 5.369 -6.944
14 HH21 ARG 1 HH21 ARG 1 5.981 7.346 -9.877
15 HH22 ARG 1 HH22 ARG 1 5.076 6.820 -8.549
16 H GLY 2 H GLY 2 11.041 2.484 -6.974
17 HA2 GLY 2 HA2 GLY 2 9.613 0.036 -7.447
18 HA3 GLY 2 HA1 GLY 2 9.735 0.919 -5.922
19 HA PRO 3 HA PRO 3 5.808 1.971 -8.679
20 HB2 PRO 3 HB2 PRO 3 4.466 -0.087 -7.018
21 HB3 PRO 3 HB1 PRO 3 4.246 0.291 -8.731
22 HG2 PRO 3 HG2 PRO 3 5.573 -1.891 -8.026
23 HG3 PRO 3 HG1 PRO 3 6.155 -0.886 -9.365
24 HD2 PRO 3 HD2 PRO 3 7.135 -1.032 -6.545
25 HD3 PRO 3 HD1 PRO 3 8.051 -0.960 -8.067
26 H ASP 4 H ASP 4 3.676 2.666 -7.793
27 HA ASP 4 HA ASP 4 3.975 4.606 -5.819
28 HB2 ASP 4 HB2 ASP 4 2.265 4.704 -7.571
29 HB3 ASP 4 HB1 ASP 4 1.463 3.313 -6.812
30 H LYS 5 H LYS 5 2.772 4.806 -3.945
31 HA LYS 5 HA LYS 5 3.606 3.095 -1.922
32 HB2 LYS 5 HB2 LYS 5 2.014 4.280 -0.412
33 HB3 LYS 5 HB1 LYS 5 3.047 5.345 -1.348
34 HG2 LYS 5 HG2 LYS 5 1.175 5.757 -2.909
35 HG3 LYS 5 HG1 LYS 5 0.151 4.711 -1.931
36 HD2 LYS 5 HD2 LYS 5 1.514 7.182 -0.872
37 HD3 LYS 5 HD1 LYS 5 -0.115 7.173 -1.540
38 HE2 LYS 5 HE2 LYS 5 0.742 5.453 0.788
39 HE3 LYS 5 HE1 LYS 5 0.027 7.048 0.967
40 HZ1 LYS 5 HZ1 LYS 5 -1.335 4.635 -0.216
41 HZ2 LYS 5 HZ2 LYS 5 -1.958 6.181 -0.240
42 HZ3 LYS 5 HZ3 LYS 5 -1.648 5.434 1.215
43 H SER 6 H SER 6 0.411 3.205 -3.417
44 HA SER 6 HA SER 6 -0.786 1.361 -1.674
45 HB2 SER 6 HB2 SER 6 -1.504 2.096 -4.486
46 HB3 SER 6 HB1 SER 6 -2.581 1.431 -3.254
47 HG SER 6 HG SER 6 -2.186 3.269 -1.979
48 H TYR 7 H TYR 7 0.822 1.001 -4.804
49 HA TYR 7 HA TYR 7 0.120 -1.788 -5.021
50 HB2 TYR 7 HB2 TYR 7 0.545 -0.215 -7.015
51 HB3 TYR 7 HB1 TYR 7 2.237 -0.322 -6.591
52 HD1 TYR 7 HD1 TYR 7 3.558 -2.112 -7.289
53 HD2 TYR 7 HD2 TYR 7 -0.662 -2.392 -7.627
54 HE1 TYR 7 HE1 TYR 7 3.809 -4.166 -8.618
55 HE2 TYR 7 HE2 TYR 7 -0.434 -4.455 -8.947
56 HH TYR 7 HH TYR 7 2.513 -6.146 -9.178
57 H LYS 8 H LYS 8 2.771 0.165 -3.978
58 HA LYS 8 HA LYS 8 4.784 -1.709 -3.672
59 HB2 LYS 8 HB2 LYS 8 5.027 0.735 -3.494
60 HB3 LYS 8 HB1 LYS 8 4.118 0.718 -1.995
61 HG2 LYS 8 HG2 LYS 8 5.913 -0.679 -1.004
62 HG3 LYS 8 HG1 LYS 8 6.836 -0.464 -2.488
63 HD2 LYS 8 HD2 LYS 8 5.887 1.723 -0.635
64 HD3 LYS 8 HD1 LYS 8 7.542 1.146 -0.780
65 HE2 LYS 8 HE2 LYS 8 5.934 2.556 -2.924
66 HE3 LYS 8 HE1 LYS 8 7.218 3.254 -1.949
67 HZ1 LYS 8 HZ1 LYS 8 8.015 2.682 -4.101
68 HZ2 LYS 8 HZ2 LYS 8 7.547 1.075 -3.951
69 HZ3 LYS 8 HZ3 LYS 8 8.778 1.690 -2.977
70 H ARG 9 H ARG 9 2.380 -0.454 -1.365
71 HA ARG 9 HA ARG 9 2.848 -2.122 0.815
72 HB2 ARG 9 HB2 ARG 9 0.246 -0.973 -0.150
73 HB3 ARG 9 HB1 ARG 9 0.474 -1.739 1.406
74 HG2 ARG 9 HG2 ARG 9 2.095 0.023 1.980
75 HG3 ARG 9 HG1 ARG 9 1.726 0.813 0.439
76 HD2 ARG 9 HD2 ARG 9 0.397 1.775 2.227
77 HD3 ARG 9 HD1 ARG 9 -0.629 0.920 1.073
78 HE ARG 9 HE ARG 9 0.286 -0.333 3.557
79 HH11 ARG 9 HH11 ARG 9 -2.393 0.500 1.375
80 HH12 ARG 9 HH12 ARG 9 -3.530 -0.434 2.221
81 HH21 ARG 9 HH21 ARG 9 -1.244 -1.607 4.638
82 HH22 ARG 9 HH22 ARG 9 -2.883 -1.669 4.156
83 H LEU 10 H LEU 10 0.699 -2.503 -1.946
84 HA LEU 10 HA LEU 10 -0.589 -4.825 -1.186
85 HB2 LEU 10 HB2 LEU 10 -1.352 -3.531 -3.068
86 HB3 LEU 10 HB1 LEU 10 0.133 -3.851 -3.939
87 HG LEU 10 HG LEU 10 -0.441 -6.183 -4.157
88 HD11 LEU 10 HD11 LEU 10 -1.596 -6.487 -2.074
89 HD12 LEU 10 HD12 LEU 10 -2.606 -7.034 -3.409
90 HD13 LEU 10 HD13 LEU 10 -2.935 -5.481 -2.623
91 HD21 LEU 10 HD21 LEU 10 -1.234 -4.650 -5.866
92 HD22 LEU 10 HD22 LEU 10 -2.715 -4.372 -4.947
93 HD23 LEU 10 HD23 LEU 10 -2.384 -5.967 -5.628
94 H GLN 11 H GLN 11 2.371 -4.494 -3.052
95 HA GLN 11 HA GLN 11 2.880 -7.213 -3.459
96 HB2 GLN 11 HB2 GLN 11 4.802 -4.908 -3.193
97 HB3 GLN 11 HB1 GLN 11 5.247 -6.508 -3.768
98 HG2 GLN 11 HG2 GLN 11 3.751 -6.272 -5.657
99 HG3 GLN 11 HG1 GLN 11 3.215 -4.705 -5.057
100 HE21 GLN 11 1HE2 GLN 11 4.548 -2.971 -5.238
101 HE22 GLN 11 2HE2 GLN 11 5.962 -2.965 -6.246
102 H GLU 12 H GLU 12 4.109 -5.035 -0.921
103 HA GLU 12 HA GLU 12 5.570 -6.971 0.493
104 HB2 GLU 12 HB2 GLU 12 4.221 -4.510 1.581
105 HB3 GLU 12 HB1 GLU 12 5.499 -5.416 2.373
106 HG2 GLU 12 HG2 GLU 12 7.000 -4.846 0.506
107 HG3 GLU 12 HG1 GLU 12 5.711 -3.859 -0.184
108 H CYS 13 H CYS 13 2.258 -5.851 0.810
109 HA CYS 13 HA CYS 13 1.576 -7.210 3.116
110 HB2 CYS 13 HB2 CYS 13 0.219 -5.408 2.130
111 HB3 CYS 13 HB1 CYS 13 -0.246 -6.497 0.828
112 H GLN 14 H GLN 14 1.192 -8.237 -0.273
113 HA GLN 14 HA GLN 14 0.011 -10.704 0.467
114 HB2 GLN 14 HB2 GLN 14 1.384 -10.026 -2.147
115 HB3 GLN 14 HB1 GLN 14 0.319 -11.402 -1.845
116 HG2 GLN 14 HG2 GLN 14 -1.518 -9.848 -1.367
117 HG3 GLN 14 HG1 GLN 14 -0.453 -8.500 -1.759
118 HE21 GLN 14 1HE2 GLN 14 0.207 -8.236 -3.893
119 HE22 GLN 14 2HE2 GLN 14 -0.645 -8.949 -5.215
120 H ARG 15 H ARG 15 3.317 -9.719 -0.164
121 HA ARG 15 HA ARG 15 4.509 -12.267 -0.011
122 HB2 ARG 15 HB2 ARG 15 5.600 -9.531 0.676
123 HB3 ARG 15 HB1 ARG 15 6.577 -10.990 0.682
124 HG2 ARG 15 HG2 ARG 15 5.110 -9.940 -1.726
125 HG3 ARG 15 HG1 ARG 15 6.810 -9.631 -1.373
126 HD2 ARG 15 HD2 ARG 15 5.567 -12.359 -1.762
127 HD3 ARG 15 HD1 ARG 15 6.508 -11.481 -2.963
128 HE ARG 15 HE ARG 15 8.259 -11.540 -1.009
129 HH11 ARG 15 HH11 ARG 15 6.122 -14.198 -1.955
130 HH12 ARG 15 HH12 ARG 15 7.272 -15.412 -1.634
131 HH21 ARG 15 HH21 ARG 15 9.802 -13.166 -0.553
132 HH22 ARG 15 HH22 ARG 15 9.426 -14.814 -0.777
133 H ARG 16 H ARG 16 3.764 -9.880 2.477
134 HA ARG 16 HA ARG 16 4.754 -11.366 4.651
135 HB2 ARG 16 HB2 ARG 16 2.570 -9.301 4.549
136 HB3 ARG 16 HB1 ARG 16 3.122 -10.045 6.039
137 HG2 ARG 16 HG2 ARG 16 5.406 -9.171 5.493
138 HG3 ARG 16 HG1 ARG 16 4.653 -8.245 4.191
139 HD2 ARG 16 HD2 ARG 16 4.884 -6.922 6.277
140 HD3 ARG 16 HD1 ARG 16 3.203 -7.121 5.768
141 HE ARG 16 HE ARG 16 3.850 -9.204 7.507
142 HH11 ARG 16 HH11 ARG 16 3.375 -5.721 7.702
143 HH12 ARG 16 HH12 ARG 16 2.831 -5.725 9.313
144 HH21 ARG 16 HH21 ARG 16 3.047 -9.275 9.639
145 HH22 ARG 16 HH22 ARG 16 2.646 -7.847 10.485
146 H CYS 17 H CYS 17 1.625 -11.265 3.143
147 HA CYS 17 HA CYS 17 0.323 -13.054 4.841
148 HB2 CYS 17 HB2 CYS 17 -0.086 -12.464 1.929
149 HB3 CYS 17 HB1 CYS 17 -1.130 -13.541 2.843
150 H GLN 18 H GLN 18 2.417 -13.646 2.081
151 HA GLN 18 HA GLN 18 2.005 -16.431 1.980
152 HB2 GLN 18 HB2 GLN 18 4.389 -14.801 1.126
153 HB3 GLN 18 HB1 GLN 18 4.138 -16.491 0.723
154 HG2 GLN 18 HG2 GLN 18 2.011 -15.810 -0.389
155 HG3 GLN 18 HG1 GLN 18 2.481 -14.146 -0.113
156 HE21 GLN 18 1HE2 GLN 18 3.305 -17.054 -1.803
157 HE22 GLN 18 2HE2 GLN 18 4.308 -16.308 -2.992
158 H SER 19 H SER 19 4.075 -14.417 3.868
159 HA SER 19 HA SER 19 5.635 -16.556 4.917
160 HB2 SER 19 HB2 SER 19 6.490 -14.228 4.680
161 HB3 SER 19 HB1 SER 19 5.312 -13.691 5.870
162 HG SER 19 HG SER 19 7.160 -15.726 6.480
163 H GLU 20 H GLU 20 3.000 -14.492 6.209
164 HA GLU 20 HA GLU 20 2.956 -15.954 8.667
165 HB2 GLU 20 HB2 GLU 20 1.239 -13.702 7.678
166 HB3 GLU 20 HB1 GLU 20 1.251 -14.333 9.321
167 HG2 GLU 20 HG2 GLU 20 3.665 -13.758 9.451
168 HG3 GLU 20 HG1 GLU 20 3.521 -13.041 7.867
169 H GLN 21 H GLN 21 1.095 -16.127 5.726
170 HA GLN 21 HA GLN 21 -0.798 -17.896 7.099
171 HB2 GLN 21 HB2 GLN 21 -1.409 -15.875 4.937
172 HB3 GLN 21 HB1 GLN 21 -2.533 -17.113 5.474
173 HG2 GLN 21 HG2 GLN 21 -1.385 -14.945 7.223
174 HG3 GLN 21 HG1 GLN 21 -2.969 -14.896 6.456
175 HE21 GLN 21 1HE2 GLN 21 -2.280 -14.839 9.283
176 HE22 GLN 21 2HE2 GLN 21 -3.124 -16.166 10.001
177 H GLN 22 H GLN 22 -1.948 -19.353 5.508
178 HA GLN 22 HA GLN 22 -0.643 -19.898 3.025
179 HB2 GLN 22 HB2 GLN 22 -0.260 -22.311 3.659
180 HB3 GLN 22 HB1 GLN 22 0.872 -21.154 4.334
181 HG2 GLN 22 HG2 GLN 22 -0.304 -21.240 6.465
182 HG3 GLN 22 HG1 GLN 22 -1.467 -22.373 5.776
183 HE21 GLN 22 1HE2 GLN 22 0.422 -22.630 8.013
184 HE22 GLN 22 2HE2 GLN 22 1.383 -24.011 7.637
185 H GLY 23 H GLY 23 -1.736 -21.730 1.921
186 HA2 GLY 23 HA2 GLY 23 -3.594 -22.792 1.176
187 HA3 GLY 23 HA1 GLY 23 -4.122 -22.864 2.845
188 H GLN 24 H GLN 24 -6.167 -22.359 2.689
189 HA GLN 24 HA GLN 24 -7.302 -20.456 0.972
190 HB2 GLN 24 HB2 GLN 24 -8.438 -21.601 3.538
191 HB3 GLN 24 HB1 GLN 24 -9.356 -20.779 2.289
192 HG2 GLN 24 HG2 GLN 24 -9.829 -22.982 1.825
193 HG3 GLN 24 HG1 GLN 24 -8.465 -22.693 0.761
194 HE21 GLN 24 1HE2 GLN 24 -9.456 -25.183 1.797
195 HE22 GLN 24 2HE2 GLN 24 -8.171 -25.932 2.668
196 H ARG 25 H ARG 25 -6.070 -20.336 4.229
197 HA ARG 25 HA ARG 25 -7.037 -17.805 4.991
198 HB2 ARG 25 HB2 ARG 25 -4.551 -19.298 5.777
199 HB3 ARG 25 HB1 ARG 25 -5.151 -17.867 6.604
200 HG2 ARG 25 HG2 ARG 25 -6.746 -20.381 6.287
201 HG3 ARG 25 HG1 ARG 25 -5.705 -20.065 7.676
202 HD2 ARG 25 HD2 ARG 25 -8.053 -18.408 6.751
203 HD3 ARG 25 HD1 ARG 25 -8.036 -19.506 8.131
204 HE ARG 25 HE ARG 25 -6.149 -18.009 8.931
205 HH11 ARG 25 HH11 ARG 25 -8.899 -16.796 7.011
206 HH12 ARG 25 HH12 ARG 25 -8.919 -15.276 7.764
207 HH21 ARG 25 HH21 ARG 25 -6.177 -15.876 9.918
208 HH22 ARG 25 HH22 ARG 25 -7.340 -14.736 9.442
209 H LEU 26 H LEU 26 -4.292 -18.827 3.110
210 HA LEU 26 HA LEU 26 -3.000 -16.293 2.945
211 HB2 LEU 26 HB2 LEU 26 -1.737 -18.187 2.443
212 HB3 LEU 26 HB1 LEU 26 -2.867 -18.767 1.226
213 HG LEU 26 HG LEU 26 -2.217 -16.785 -0.156
214 HD11 LEU 26 HD11 LEU 26 -0.144 -15.622 0.409
215 HD12 LEU 26 HD12 LEU 26 -0.130 -16.446 1.978
216 HD13 LEU 26 HD13 LEU 26 -1.436 -15.335 1.567
217 HD21 LEU 26 HD21 LEU 26 -0.061 -17.698 -0.857
218 HD22 LEU 26 HD22 LEU 26 -1.249 -18.970 -0.579
219 HD23 LEU 26 HD23 LEU 26 0.005 -18.656 0.622
220 H GLN 27 H GLN 27 -5.409 -17.968 1.052
221 HA GLN 27 HA GLN 27 -5.593 -16.178 -1.104
222 HB2 GLN 27 HB2 GLN 27 -7.812 -17.824 0.121
223 HB3 GLN 27 HB1 GLN 27 -7.803 -17.129 -1.492
224 HG2 GLN 27 HG2 GLN 27 -5.969 -19.286 -0.476
225 HG3 GLN 27 HG1 GLN 27 -7.341 -19.510 -1.556
226 HE21 GLN 27 1HE2 GLN 27 -4.540 -20.115 -1.894
227 HE22 GLN 27 2HE2 GLN 27 -4.037 -19.306 -3.333
228 H GLU 28 H GLU 28 -7.287 -16.352 1.974
229 HA GLU 28 HA GLU 28 -8.913 -14.079 1.689
230 HB2 GLU 28 HB2 GLU 28 -7.760 -15.259 4.216
231 HB3 GLU 28 HB1 GLU 28 -9.100 -14.130 4.134
232 HG2 GLU 28 HG2 GLU 28 -10.377 -15.821 2.869
233 HG3 GLU 28 HG1 GLU 28 -9.040 -16.950 3.100
234 H CYS 29 H CYS 29 -5.748 -14.500 3.241
235 HA CYS 29 HA CYS 29 -5.461 -11.892 4.170
236 HB2 CYS 29 HB2 CYS 29 -4.074 -13.904 4.830
237 HB3 CYS 29 HB1 CYS 29 -3.190 -13.688 3.331
238 H GLN 30 H GLN 30 -4.125 -13.338 1.150
239 HA GLN 30 HA GLN 30 -3.040 -10.901 0.253
240 HB2 GLN 30 HB2 GLN 30 -3.830 -13.352 -1.316
241 HB3 GLN 30 HB1 GLN 30 -3.040 -11.961 -2.050
242 HG2 GLN 30 HG2 GLN 30 -1.165 -12.317 -0.434
243 HG3 GLN 30 HG1 GLN 30 -1.962 -13.813 0.052
244 HE21 GLN 30 1HE2 GLN 30 -2.082 -15.455 -1.395
245 HE22 GLN 30 2HE2 GLN 30 -1.098 -15.593 -2.809
246 H GLN 31 H GLN 31 -6.253 -12.251 -0.077
247 HA GLN 31 HA GLN 31 -7.295 -10.480 -1.992
248 HB2 GLN 31 HB2 GLN 31 -8.555 -12.443 -1.133
249 HB3 GLN 31 HB1 GLN 31 -8.721 -11.631 0.418
250 HG2 GLN 31 HG2 GLN 31 -9.882 -9.756 -0.855
251 HG3 GLN 31 HG1 GLN 31 -9.955 -10.873 -2.213
252 HE21 GLN 31 1HE2 GLN 31 -12.134 -9.673 -0.732
253 HE22 GLN 31 2HE2 GLN 31 -13.031 -10.997 -0.079
254 H ARG 32 H ARG 32 -7.045 -10.290 1.523
255 HA ARG 32 HA ARG 32 -8.351 -7.821 1.808
256 HB2 ARG 32 HB2 ARG 32 -6.354 -9.159 3.633
257 HB3 ARG 32 HB1 ARG 32 -7.272 -7.725 4.071
258 HG2 ARG 32 HG2 ARG 32 -8.435 -10.413 3.360
259 HG3 ARG 32 HG1 ARG 32 -8.270 -9.757 4.989
260 HD2 ARG 32 HD2 ARG 32 -9.832 -7.996 4.510
261 HD3 ARG 32 HD1 ARG 32 -9.874 -8.414 2.800
262 HE ARG 32 HE ARG 32 -10.624 -10.583 4.437
263 HH11 ARG 32 HH11 ARG 32 -11.899 -7.496 3.179
264 HH12 ARG 32 HH12 ARG 32 -13.505 -8.027 3.101
265 HH21 ARG 32 HH21 ARG 32 -12.875 -11.329 4.274
266 HH22 ARG 32 HH22 ARG 32 -14.063 -10.255 3.689
267 H CYS 33 H CYS 33 -5.006 -8.535 1.169
268 HA CYS 33 HA CYS 33 -4.005 -5.910 1.456
269 HB2 CYS 33 HB2 CYS 33 -3.127 -8.034 -0.505
270 HB3 CYS 33 HB1 CYS 33 -2.176 -6.659 0.050
271 H GLN 34 H GLN 34 -5.484 -7.657 -1.212
272 HA GLN 34 HA GLN 34 -5.200 -5.587 -3.135
273 HB2 GLN 34 HB2 GLN 34 -6.948 -8.034 -3.030
274 HB3 GLN 34 HB1 GLN 34 -6.844 -6.975 -4.430
275 HG2 GLN 34 HG2 GLN 34 -4.498 -7.494 -4.698
276 HG3 GLN 34 HG1 GLN 34 -4.501 -8.422 -3.202
277 HE21 GLN 34 1HE2 GLN 34 -3.761 -10.256 -4.255
278 HE22 GLN 34 2HE2 GLN 34 -4.770 -11.197 -5.277
279 H GLN 35 H GLN 35 -7.664 -6.513 -0.860
280 HA GLN 35 HA GLN 35 -9.727 -4.763 -1.678
281 HB2 GLN 35 HB2 GLN 35 -9.058 -5.517 1.178
282 HB3 GLN 35 HB1 GLN 35 -10.591 -4.888 0.609
283 HG2 GLN 35 HG2 GLN 35 -9.393 -7.573 -0.041
284 HG3 GLN 35 HG1 GLN 35 -10.733 -7.259 1.058
285 HE21 GLN 35 1HE2 GLN 35 -9.732 -7.628 -2.214
286 HE22 GLN 35 2HE2 GLN 35 -11.300 -7.583 -2.910
287 H GLU 36 H GLU 36 -7.007 -4.354 0.548
288 HA GLU 36 HA GLU 36 -7.445 -1.693 1.289
289 HB2 GLU 36 HB2 GLU 36 -4.885 -3.221 0.972
290 HB3 GLU 36 HB1 GLU 36 -4.982 -1.632 1.695
291 HG2 GLU 36 HG2 GLU 36 -6.541 -2.632 3.396
292 HG3 GLU 36 HG1 GLU 36 -6.163 -4.206 2.696
293 H TYR 37 H TYR 37 -5.495 -3.077 -1.257
294 HA TYR 37 HA TYR 37 -4.571 -0.775 -2.477
295 HB2 TYR 37 HB2 TYR 37 -3.756 -2.994 -3.092
296 HB3 TYR 37 HB1 TYR 37 -5.322 -3.407 -3.771
297 HD1 TYR 37 HD1 TYR 37 -5.759 -3.011 -6.022
298 HD2 TYR 37 HD2 TYR 37 -2.471 -1.056 -4.179
299 HE1 TYR 37 HE1 TYR 37 -5.054 -2.160 -8.208
300 HE2 TYR 37 HE2 TYR 37 -1.750 -0.191 -6.365
301 HH TYR 37 HH TYR 37 -2.005 -0.674 -8.703
302 H GLN 38 H GLN 38 -7.694 -2.331 -2.861
303 HA GLN 38 HA GLN 38 -8.678 -0.620 -4.899
304 HB2 GLN 38 HB2 GLN 38 -10.159 -2.157 -2.776
305 HB3 GLN 38 HB1 GLN 38 -10.928 -1.346 -4.129
306 HG2 GLN 38 HG2 GLN 38 -9.767 -2.792 -5.679
307 HG3 GLN 38 HG1 GLN 38 -8.937 -3.583 -4.335
308 HE21 GLN 38 1HE2 GLN 38 -9.807 -5.566 -4.847
309 HE22 GLN 38 2HE2 GLN 38 -11.466 -5.940 -4.564
310 H ARG 39 H ARG 39 -8.752 -0.478 -1.389
311 HA ARG 39 HA ARG 39 -10.318 1.909 -1.184
312 HB2 ARG 39 HB2 ARG 39 -8.430 0.625 0.804
313 HB3 ARG 39 HB1 ARG 39 -9.564 1.907 1.183
314 HG2 ARG 39 HG2 ARG 39 -10.359 -0.819 0.174
315 HG3 ARG 39 HG1 ARG 39 -10.304 -0.363 1.875
316 HD2 ARG 39 HD2 ARG 39 -12.015 0.981 -0.227
317 HD3 ARG 39 HD1 ARG 39 -12.573 -0.244 0.912
318 HE ARG 39 HE ARG 39 -11.318 2.027 2.141
319 HH11 ARG 39 HH11 ARG 39 -14.427 0.786 0.975
320 HH12 ARG 39 HH12 ARG 39 -15.353 1.719 2.052
321 HH21 ARG 39 HH21 ARG 39 -12.551 3.274 3.560
322 HH22 ARG 39 HH22 ARG 39 -14.259 3.202 3.588
323 H GLU 40 H GLU 40 -7.066 1.232 -1.826
324 HA GLU 40 HA GLU 40 -5.938 3.798 -1.208
325 HB2 GLU 40 HB2 GLU 40 -5.002 1.391 -2.723
326 HB3 GLU 40 HB1 GLU 40 -4.053 2.862 -2.606
327 HG2 GLU 40 HG2 GLU 40 -5.004 1.333 -0.204
328 HG3 GLU 40 HG1 GLU 40 -3.458 1.030 -0.999
329 H LYS 41 H LYS 41 -7.389 2.246 -3.951
330 HA LYS 41 HA LYS 41 -6.645 4.410 -5.752
331 HB2 LYS 41 HB2 LYS 41 -8.448 2.024 -6.175
332 HB3 LYS 41 HB1 LYS 41 -8.051 3.194 -7.421
333 HG2 LYS 41 HG2 LYS 41 -5.669 2.541 -7.220
334 HG3 LYS 41 HG1 LYS 41 -6.137 1.312 -6.045
335 HD2 LYS 41 HD2 LYS 41 -7.127 1.462 -8.901
336 HD3 LYS 41 HD1 LYS 41 -5.854 0.393 -8.322
337 HE2 LYS 41 HE2 LYS 41 -7.422 -0.741 -6.859
338 HE3 LYS 41 HE1 LYS 41 -8.704 0.375 -7.319
339 HZ1 LYS 41 HZ1 LYS 41 -8.844 -1.739 -8.465
340 HZ2 LYS 41 HZ2 LYS 41 -7.347 -1.520 -9.172
341 HZ3 LYS 41 HZ3 LYS 41 -8.635 -0.481 -9.551
342 H GLY 42 H GLY 42 -9.539 3.013 -4.322
343 HA2 GLY 42 HA2 GLY 42 -11.026 5.415 -4.964
344 HA3 GLY 42 HA1 GLY 42 -11.673 3.894 -4.334
345 H GLN 43 H GLN 43 -10.032 6.815 -3.577
346 HA GLN 43 HA GLN 43 -9.663 6.272 -0.813
347 HB2 GLN 43 HB2 GLN 43 -9.732 8.892 -2.313
348 HB3 GLN 43 HB1 GLN 43 -9.294 8.732 -0.624
349 HG2 GLN 43 HG2 GLN 43 -7.815 7.366 -2.851
350 HG3 GLN 43 HG1 GLN 43 -7.399 8.971 -2.254
351 HE21 GLN 43 1HE2 GLN 43 -6.515 9.169 -0.210
352 HE22 GLN 43 2HE2 GLN 43 -5.828 7.834 0.628
353 H HIS 44 H HIS 44 -11.762 5.469 -0.321
354 HA HIS 44 HA HIS 44 -14.033 7.232 -0.211
355 HB2 HIS 44 HB2 HIS 44 -13.427 4.655 1.292
356 HB3 HIS 44 HB1 HIS 44 -14.932 5.538 1.457
357 HD1 HIS 44 HD1 HIS 44 -16.762 4.500 0.098
358 HD2 HIS 44 HD2 HIS 44 -13.023 3.944 -1.632
359 HE1 HIS 44 HE1 HIS 44 -17.138 3.109 -1.947
360 H GLN 45 H GLN 45 -11.728 5.918 2.090
361 HA GLN 45 HA GLN 45 -12.055 8.312 3.668
362 HB2 GLN 45 HB2 GLN 45 -11.255 5.526 4.512
363 HB3 GLN 45 HB1 GLN 45 -11.230 6.938 5.556
364 HG2 GLN 45 HG2 GLN 45 -13.667 7.179 5.234
365 HG3 GLN 45 HG1 GLN 45 -13.659 5.722 4.251
366 HE21 GLN 45 1HE2 GLN 45 -11.671 4.397 6.081
367 HE22 GLN 45 2HE2 GLN 45 -12.624 3.986 7.457
368 H GLY 46 H GLY 46 -10.538 9.501 2.707
369 HA2 GLY 46 HA2 GLY 46 -7.834 8.353 2.543
370 HA3 GLY 46 HA1 GLY 46 -8.448 9.589 1.447
371 H GLU 47 H GLU 47 -6.422 10.655 2.225
372 HA GLU 47 HA GLU 47 -6.638 11.742 4.911
373 HB2 GLU 47 HB2 GLU 47 -4.475 12.076 2.838
374 HB3 GLU 47 HB1 GLU 47 -4.395 12.626 4.504
375 HG2 GLU 47 HG2 GLU 47 -4.386 10.400 5.331
376 HG3 GLU 47 HG1 GLU 47 -4.758 9.752 3.738
377 H THR 48 H THR 48 -7.406 12.477 1.857
378 HA THR 48 HA THR 48 -7.755 15.344 2.500
379 HB THR 48 HB THR 48 -7.544 14.281 -0.326
380 HG1 THR 48 HG1 THR 48 -5.445 14.158 -0.161
381 HG21 THR 48 HG21 THR 48 -6.766 16.565 -0.785
382 HG22 THR 48 HG22 THR 48 -6.877 16.955 0.929
383 HG23 THR 48 HG23 THR 48 -8.340 16.594 0.011
384 H ASN 49 H ASN 49 -9.337 12.555 2.364
385 HA ASN 49 HA ASN 49 -11.845 13.741 1.497
386 HB2 ASN 49 HB2 ASN 49 -10.815 12.537 -0.476
387 HB3 ASN 49 HB1 ASN 49 -10.889 11.054 0.469
388 HD21 ASN 49 HD21 ASN 49 -12.952 10.212 0.977
389 HD22 ASN 49 HD22 ASN 49 -14.331 10.600 0.021
Start of MODEL 16
1 H1 ARG 1 HT1 ARG 1 10.935 1.971 -13.434
2 H2 ARG 1 HT2 ARG 1 9.338 1.714 -13.866
3 H3 ARG 1 HT3 ARG 1 10.561 0.958 -14.724
4 HA ARG 1 HA ARG 1 9.417 -0.563 -13.208
5 HB2 ARG 1 HB2 ARG 1 11.413 -1.522 -12.176
6 HB3 ARG 1 HB1 ARG 1 11.779 -0.985 -13.807
7 HG2 ARG 1 HG2 ARG 1 12.858 1.003 -12.931
8 HG3 ARG 1 HG1 ARG 1 12.426 0.526 -11.286
9 HD2 ARG 1 HD2 ARG 1 13.774 -1.489 -11.533
10 HD3 ARG 1 HD1 ARG 1 14.213 -0.993 -13.169
11 HE ARG 1 HE ARG 1 14.864 1.100 -11.500
12 HH11 ARG 1 HH11 ARG 1 15.835 -2.266 -11.894
13 HH12 ARG 1 HH12 ARG 1 17.434 -2.028 -11.376
14 HH21 ARG 1 HH21 ARG 1 17.054 1.457 -10.742
15 HH22 ARG 1 HH22 ARG 1 18.138 0.149 -10.698
16 H GLY 2 H GLY 2 8.974 2.253 -12.155
17 HA2 GLY 2 HA2 GLY 2 9.424 1.783 -9.322
18 HA3 GLY 2 HA1 GLY 2 9.059 3.330 -10.082
19 HA PRO 3 HA PRO 3 5.080 0.676 -9.531
20 HB2 PRO 3 HB2 PRO 3 4.897 -0.334 -7.043
21 HB3 PRO 3 HB1 PRO 3 5.653 -1.237 -8.363
22 HG2 PRO 3 HG2 PRO 3 6.911 0.295 -6.136
23 HG3 PRO 3 HG1 PRO 3 7.401 -1.243 -6.869
24 HD2 PRO 3 HD2 PRO 3 8.550 1.182 -7.438
25 HD3 PRO 3 HD1 PRO 3 8.566 -0.205 -8.543
26 H ASP 4 H ASP 4 3.174 1.344 -8.397
27 HA ASP 4 HA ASP 4 3.208 3.968 -7.343
28 HB2 ASP 4 HB2 ASP 4 1.195 2.959 -8.407
29 HB3 ASP 4 HB1 ASP 4 1.125 1.831 -7.035
30 H LYS 5 H LYS 5 2.477 4.475 -5.258
31 HA LYS 5 HA LYS 5 4.171 3.406 -3.244
32 HB2 LYS 5 HB2 LYS 5 2.991 4.897 -1.646
33 HB3 LYS 5 HB1 LYS 5 3.496 5.737 -3.102
34 HG2 LYS 5 HG2 LYS 5 1.262 5.746 -3.951
35 HG3 LYS 5 HG1 LYS 5 0.718 4.684 -2.655
36 HD2 LYS 5 HD2 LYS 5 1.239 6.441 -1.023
37 HD3 LYS 5 HD1 LYS 5 1.738 7.502 -2.345
38 HE2 LYS 5 HE2 LYS 5 -0.558 7.963 -1.607
39 HE3 LYS 5 HE1 LYS 5 -0.491 7.428 -3.285
40 HZ1 LYS 5 HZ1 LYS 5 -1.166 5.198 -2.540
41 HZ2 LYS 5 HZ2 LYS 5 -2.285 6.361 -2.146
42 HZ3 LYS 5 HZ3 LYS 5 -1.272 5.744 -0.947
43 H SER 6 H SER 6 0.700 2.993 -3.875
44 HA SER 6 HA SER 6 0.391 1.340 -1.562
45 HB2 SER 6 HB2 SER 6 -1.503 2.021 -3.802
46 HB3 SER 6 HB1 SER 6 -1.940 1.204 -2.300
47 HG SER 6 HG SER 6 -1.834 2.993 -1.231
48 H TYR 7 H TYR 7 1.207 0.977 -4.841
49 HA TYR 7 HA TYR 7 0.453 -1.785 -5.030
50 HB2 TYR 7 HB2 TYR 7 0.770 -0.320 -7.056
51 HB3 TYR 7 HB1 TYR 7 2.499 -0.313 -6.720
52 HD1 TYR 7 HD1 TYR 7 -0.354 -2.529 -7.507
53 HD2 TYR 7 HD2 TYR 7 3.861 -2.070 -7.501
54 HE1 TYR 7 HE1 TYR 7 -0.139 -4.594 -8.791
55 HE2 TYR 7 HE2 TYR 7 4.095 -4.144 -8.800
56 HH TYR 7 HH TYR 7 1.448 -5.660 -10.290
57 H LYS 8 H LYS 8 3.296 0.046 -4.224
58 HA LYS 8 HA LYS 8 5.122 -2.036 -3.890
59 HB2 LYS 8 HB2 LYS 8 5.643 0.372 -3.939
60 HB3 LYS 8 HB1 LYS 8 4.865 0.573 -2.380
61 HG2 LYS 8 HG2 LYS 8 6.572 -0.936 -1.396
62 HG3 LYS 8 HG1 LYS 8 7.376 -0.982 -2.966
63 HD2 LYS 8 HD2 LYS 8 6.867 1.477 -1.298
64 HD3 LYS 8 HD1 LYS 8 8.424 0.670 -1.493
65 HE2 LYS 8 HE2 LYS 8 8.349 1.185 -3.914
66 HE3 LYS 8 HE1 LYS 8 6.812 2.005 -3.675
67 HZ1 LYS 8 HZ1 LYS 8 8.614 3.586 -3.746
68 HZ2 LYS 8 HZ2 LYS 8 9.411 2.829 -2.497
69 HZ3 LYS 8 HZ3 LYS 8 7.943 3.594 -2.209
70 H ARG 9 H ARG 9 2.826 -0.477 -1.719
71 HA ARG 9 HA ARG 9 3.265 -1.959 0.632
72 HB2 ARG 9 HB2 ARG 9 0.796 -0.570 -0.380
73 HB3 ARG 9 HB1 ARG 9 0.957 -1.242 1.234
74 HG2 ARG 9 HG2 ARG 9 2.734 0.291 1.739
75 HG3 ARG 9 HG1 ARG 9 2.703 0.915 0.088
76 HD2 ARG 9 HD2 ARG 9 1.501 2.376 1.667
77 HD3 ARG 9 HD1 ARG 9 0.463 1.750 0.403
78 HE ARG 9 HE ARG 9 -0.244 0.045 2.090
79 HH11 ARG 9 HH11 ARG 9 1.018 3.136 3.211
80 HH12 ARG 9 HH12 ARG 9 -0.048 3.242 4.533
81 HH21 ARG 9 HH21 ARG 9 -1.678 0.181 3.885
82 HH22 ARG 9 HH22 ARG 9 -1.644 1.543 4.902
83 H LEU 10 H LEU 10 1.218 -2.501 -2.155
84 HA LEU 10 HA LEU 10 -0.264 -4.604 -1.166
85 HB2 LEU 10 HB2 LEU 10 -0.917 -3.534 -3.193
86 HB3 LEU 10 HB1 LEU 10 0.586 -3.961 -3.974
87 HG LEU 10 HG LEU 10 -0.037 -6.251 -4.107
88 HD11 LEU 10 HD11 LEU 10 -2.265 -7.043 -3.333
89 HD12 LEU 10 HD12 LEU 10 -2.485 -5.494 -2.496
90 HD13 LEU 10 HD13 LEU 10 -1.166 -6.582 -2.040
91 HD21 LEU 10 HD21 LEU 10 -1.998 -6.104 -5.537
92 HD22 LEU 10 HD22 LEU 10 -0.853 -4.798 -5.850
93 HD23 LEU 10 HD23 LEU 10 -2.322 -4.482 -4.925
94 H GLN 11 H GLN 11 2.800 -4.777 -2.995
95 HA GLN 11 HA GLN 11 3.042 -7.554 -2.669
96 HB2 GLN 11 HB2 GLN 11 5.163 -5.488 -3.114
97 HB3 GLN 11 HB1 GLN 11 5.596 -7.161 -2.808
98 HG2 GLN 11 HG2 GLN 11 5.641 -6.797 -5.153
99 HG3 GLN 11 HG1 GLN 11 4.227 -7.784 -4.799
100 HE21 GLN 11 1HE2 GLN 11 5.387 -4.683 -5.660
101 HE22 GLN 11 2HE2 GLN 11 3.880 -4.063 -6.255
102 H GLU 12 H GLU 12 4.146 -4.932 -0.585
103 HA GLU 12 HA GLU 12 5.497 -6.355 1.360
104 HB2 GLU 12 HB2 GLU 12 3.589 -4.042 1.670
105 HB3 GLU 12 HB1 GLU 12 4.604 -4.650 2.968
106 HG2 GLU 12 HG2 GLU 12 5.616 -3.571 0.358
107 HG3 GLU 12 HG1 GLU 12 5.490 -2.643 1.848
108 H CYS 13 H CYS 13 2.071 -5.622 1.229
109 HA CYS 13 HA CYS 13 1.293 -7.043 3.487
110 HB2 CYS 13 HB2 CYS 13 0.016 -5.226 2.329
111 HB3 CYS 13 HB1 CYS 13 -0.396 -6.389 1.078
112 H GLN 14 H GLN 14 1.085 -8.016 0.024
113 HA GLN 14 HA GLN 14 -0.048 -10.529 0.729
114 HB2 GLN 14 HB2 GLN 14 0.191 -11.186 -1.632
115 HB3 GLN 14 HB1 GLN 14 -0.613 -9.640 -1.433
116 HG2 GLN 14 HG2 GLN 14 1.283 -8.464 -2.118
117 HG3 GLN 14 HG1 GLN 14 2.307 -9.919 -2.139
118 HE21 GLN 14 1HE2 GLN 14 -0.050 -8.024 -3.726
119 HE22 GLN 14 2HE2 GLN 14 -0.112 -8.893 -5.207
120 H ARG 15 H ARG 15 3.315 -9.571 0.066
121 HA ARG 15 HA ARG 15 4.210 -12.259 -0.037
122 HB2 ARG 15 HB2 ARG 15 5.784 -9.751 0.626
123 HB3 ARG 15 HB1 ARG 15 6.490 -11.326 0.272
124 HG2 ARG 15 HG2 ARG 15 4.890 -9.630 -1.601
125 HG3 ARG 15 HG1 ARG 15 6.637 -9.816 -1.596
126 HD2 ARG 15 HD2 ARG 15 6.370 -12.200 -2.103
127 HD3 ARG 15 HD1 ARG 15 4.616 -12.004 -2.089
128 HE ARG 15 HE ARG 15 6.128 -10.310 -3.849
129 HH11 ARG 15 HH11 ARG 15 4.228 -13.279 -3.543
130 HH12 ARG 15 HH12 ARG 15 3.751 -13.345 -5.177
131 HH21 ARG 15 HH21 ARG 15 5.528 -10.425 -6.160
132 HH22 ARG 15 HH22 ARG 15 4.531 -11.694 -6.704
133 H ARG 16 H ARG 16 3.594 -10.005 2.562
134 HA ARG 16 HA ARG 16 4.743 -11.586 4.624
135 HB2 ARG 16 HB2 ARG 16 2.451 -9.612 4.702
136 HB3 ARG 16 HB1 ARG 16 3.014 -10.455 6.132
137 HG2 ARG 16 HG2 ARG 16 4.646 -8.575 4.444
138 HG3 ARG 16 HG1 ARG 16 3.853 -8.168 5.963
139 HD2 ARG 16 HD2 ARG 16 6.024 -10.242 5.613
140 HD3 ARG 16 HD1 ARG 16 6.226 -8.625 6.272
141 HE ARG 16 HE ARG 16 4.274 -10.270 7.648
142 HH11 ARG 16 HH11 ARG 16 7.664 -9.199 7.516
143 HH12 ARG 16 HH12 ARG 16 8.026 -9.621 9.110
144 HH21 ARG 16 HH21 ARG 16 4.739 -10.804 9.885
145 HH22 ARG 16 HH22 ARG 16 6.301 -10.564 10.506
146 H CYS 17 H CYS 17 1.538 -11.409 3.249
147 HA CYS 17 HA CYS 17 0.283 -13.349 4.769
148 HB2 CYS 17 HB2 CYS 17 -0.109 -12.661 1.868
149 HB3 CYS 17 HB1 CYS 17 -1.191 -13.686 2.794
150 H GLN 18 H GLN 18 2.335 -13.738 1.935
151 HA GLN 18 HA GLN 18 1.863 -16.504 1.602
152 HB2 GLN 18 HB2 GLN 18 4.135 -14.776 0.635
153 HB3 GLN 18 HB1 GLN 18 3.849 -16.435 0.113
154 HG2 GLN 18 HG2 GLN 18 1.597 -15.738 -0.638
155 HG3 GLN 18 HG1 GLN 18 2.013 -14.101 -0.224
156 HE21 GLN 18 1HE2 GLN 18 1.354 -15.387 -2.792
157 HE22 GLN 18 2HE2 GLN 18 2.596 -14.949 -3.877
158 H SER 19 H SER 19 3.861 -14.815 3.780
159 HA SER 19 HA SER 19 5.373 -17.238 4.369
160 HB2 SER 19 HB2 SER 19 5.695 -14.437 5.439
161 HB3 SER 19 HB1 SER 19 6.815 -15.780 5.663
162 HG SER 19 HG SER 19 6.981 -15.827 3.343
163 H GLU 20 H GLU 20 3.147 -14.900 5.848
164 HA GLU 20 HA GLU 20 3.233 -16.228 8.394
165 HB2 GLU 20 HB2 GLU 20 1.475 -13.972 7.456
166 HB3 GLU 20 HB1 GLU 20 1.687 -14.506 9.116
167 HG2 GLU 20 HG2 GLU 20 4.105 -13.910 8.909
168 HG3 GLU 20 HG1 GLU 20 3.736 -13.233 7.333
169 H GLN 21 H GLN 21 1.176 -16.372 5.565
170 HA GLN 21 HA GLN 21 -0.706 -18.009 7.091
171 HB2 GLN 21 HB2 GLN 21 -1.353 -16.072 4.867
172 HB3 GLN 21 HB1 GLN 21 -2.498 -17.179 5.596
173 HG2 GLN 21 HG2 GLN 21 -1.051 -15.031 7.130
174 HG3 GLN 21 HG1 GLN 21 -2.653 -14.834 6.430
175 HE21 GLN 21 1HE2 GLN 21 -0.809 -16.499 8.881
176 HE22 GLN 21 2HE2 GLN 21 -2.189 -16.937 9.816
177 H GLN 22 H GLN 22 -1.814 -19.601 5.761
178 HA GLN 22 HA GLN 22 -0.370 -20.383 3.311
179 HB2 GLN 22 HB2 GLN 22 -1.348 -22.289 5.433
180 HB3 GLN 22 HB1 GLN 22 -0.397 -22.670 4.017
181 HG2 GLN 22 HG2 GLN 22 1.483 -21.409 4.905
182 HG3 GLN 22 HG1 GLN 22 0.535 -20.995 6.315
183 HE21 GLN 22 1HE2 GLN 22 0.174 -22.486 7.895
184 HE22 GLN 22 2HE2 GLN 22 1.010 -23.990 7.977
185 H GLY 23 H GLY 23 -1.638 -21.595 1.874
186 HA2 GLY 23 HA2 GLY 23 -3.508 -22.046 0.629
187 HA3 GLY 23 HA1 GLY 23 -4.037 -22.832 2.091
188 H GLN 24 H GLN 24 -5.895 -22.240 2.836
189 HA GLN 24 HA GLN 24 -7.560 -20.385 1.584
190 HB2 GLN 24 HB2 GLN 24 -7.821 -21.668 4.311
191 HB3 GLN 24 HB1 GLN 24 -9.085 -20.734 3.539
192 HG2 GLN 24 HG2 GLN 24 -9.598 -23.038 3.267
193 HG3 GLN 24 HG1 GLN 24 -9.117 -22.412 1.700
194 HE21 GLN 24 1HE2 GLN 24 -8.656 -24.480 0.986
195 HE22 GLN 24 2HE2 GLN 24 -7.263 -25.360 1.480
196 H ARG 25 H ARG 25 -5.780 -20.209 4.638
197 HA ARG 25 HA ARG 25 -6.661 -17.695 5.470
198 HB2 ARG 25 HB2 ARG 25 -4.071 -19.157 5.925
199 HB3 ARG 25 HB1 ARG 25 -4.557 -17.710 6.795
200 HG2 ARG 25 HG2 ARG 25 -6.090 -20.288 6.773
201 HG3 ARG 25 HG1 ARG 25 -4.959 -19.819 8.036
202 HD2 ARG 25 HD2 ARG 25 -7.549 -18.480 7.239
203 HD3 ARG 25 HD1 ARG 25 -7.182 -19.263 8.776
204 HE ARG 25 HE ARG 25 -5.318 -17.331 8.637
205 HH11 ARG 25 HH11 ARG 25 -8.824 -17.215 8.290
206 HH12 ARG 25 HH12 ARG 25 -8.971 -15.603 8.802
207 HH21 ARG 25 HH21 ARG 25 -5.474 -15.165 9.317
208 HH22 ARG 25 HH22 ARG 25 -6.984 -14.377 9.434
209 H LEU 26 H LEU 26 -4.035 -18.709 3.409
210 HA LEU 26 HA LEU 26 -2.865 -16.164 3.049
211 HB2 LEU 26 HB2 LEU 26 -1.519 -17.940 2.565
212 HB3 LEU 26 HB1 LEU 26 -2.690 -18.744 1.522
213 HG LEU 26 HG LEU 26 -2.259 -17.002 -0.188
214 HD11 LEU 26 HD11 LEU 26 -0.214 -16.013 1.783
215 HD12 LEU 26 HD12 LEU 26 -1.668 -15.174 1.232
216 HD13 LEU 26 HD13 LEU 26 -0.359 -15.489 0.101
217 HD21 LEU 26 HD21 LEU 26 -0.003 -17.721 -0.787
218 HD22 LEU 26 HD22 LEU 26 -0.994 -19.073 -0.238
219 HD23 LEU 26 HD23 LEU 26 0.217 -18.373 0.837
220 H GLN 27 H GLN 27 -5.263 -17.948 1.182
221 HA GLN 27 HA GLN 27 -5.584 -16.208 -0.960
222 HB2 GLN 27 HB2 GLN 27 -7.770 -17.736 0.454
223 HB3 GLN 27 HB1 GLN 27 -7.897 -17.021 -1.139
224 HG2 GLN 27 HG2 GLN 27 -6.121 -18.546 -1.913
225 HG3 GLN 27 HG1 GLN 27 -6.130 -19.304 -0.319
226 HE21 GLN 27 1HE2 GLN 27 -7.896 -18.791 -3.237
227 HE22 GLN 27 2HE2 GLN 27 -9.056 -20.031 -3.015
228 H GLU 28 H GLU 28 -7.342 -16.240 2.112
229 HA GLU 28 HA GLU 28 -8.861 -13.929 1.633
230 HB2 GLU 28 HB2 GLU 28 -8.019 -15.135 4.267
231 HB3 GLU 28 HB1 GLU 28 -9.255 -13.902 4.071
232 HG2 GLU 28 HG2 GLU 28 -10.524 -15.481 2.650
233 HG3 GLU 28 HG1 GLU 28 -9.316 -16.708 3.008
234 H CYS 29 H CYS 29 -5.813 -14.406 3.336
235 HA CYS 29 HA CYS 29 -5.466 -11.851 4.342
236 HB2 CYS 29 HB2 CYS 29 -4.104 -13.854 4.938
237 HB3 CYS 29 HB1 CYS 29 -3.291 -13.720 3.390
238 H GLN 30 H GLN 30 -4.096 -13.165 1.282
239 HA GLN 30 HA GLN 30 -3.107 -10.591 0.589
240 HB2 GLN 30 HB2 GLN 30 -2.476 -11.502 -1.569
241 HB3 GLN 30 HB1 GLN 30 -2.025 -12.608 -0.285
242 HG2 GLN 30 HG2 GLN 30 -3.932 -13.998 -0.797
243 HG3 GLN 30 HG1 GLN 30 -4.421 -12.888 -2.087
244 HE21 GLN 30 1HE2 GLN 30 -2.201 -15.273 -1.064
245 HE22 GLN 30 2HE2 GLN 30 -1.489 -15.574 -2.614
246 H GLN 31 H GLN 31 -6.137 -12.184 -0.003
247 HA GLN 31 HA GLN 31 -7.093 -10.558 -2.084
248 HB2 GLN 31 HB2 GLN 31 -8.257 -12.611 -1.389
249 HB3 GLN 31 HB1 GLN 31 -8.632 -11.887 0.163
250 HG2 GLN 31 HG2 GLN 31 -10.575 -11.873 -1.294
251 HG3 GLN 31 HG1 GLN 31 -10.047 -10.233 -0.937
252 HE21 GLN 31 1HE2 GLN 31 -9.109 -9.024 -2.559
253 HE22 GLN 31 2HE2 GLN 31 -9.264 -9.449 -4.236
254 H ARG 32 H ARG 32 -7.176 -10.214 1.400
255 HA ARG 32 HA ARG 32 -8.654 -7.829 1.535
256 HB2 ARG 32 HB2 ARG 32 -6.571 -8.944 3.413
257 HB3 ARG 32 HB1 ARG 32 -7.639 -7.600 3.800
258 HG2 ARG 32 HG2 ARG 32 -9.563 -8.993 3.687
259 HG3 ARG 32 HG1 ARG 32 -8.625 -10.326 3.014
260 HD2 ARG 32 HD2 ARG 32 -7.349 -10.448 5.105
261 HD3 ARG 32 HD1 ARG 32 -8.356 -9.164 5.783
262 HE ARG 32 HE ARG 32 -10.132 -11.005 4.947
263 HH11 ARG 32 HH11 ARG 32 -7.257 -11.289 7.027
264 HH12 ARG 32 HH12 ARG 32 -7.934 -12.471 8.034
265 HH21 ARG 32 HH21 ARG 32 -11.054 -12.651 6.339
266 HH22 ARG 32 HH22 ARG 32 -10.138 -13.281 7.624
267 H CYS 33 H CYS 33 -5.207 -8.443 1.212
268 HA CYS 33 HA CYS 33 -4.294 -5.785 1.334
269 HB2 CYS 33 HB2 CYS 33 -3.143 -8.040 -0.328
270 HB3 CYS 33 HB1 CYS 33 -2.294 -6.597 0.209
271 H GLN 34 H GLN 34 -5.477 -7.765 -1.362
272 HA GLN 34 HA GLN 34 -5.008 -5.881 -3.414
273 HB2 GLN 34 HB2 GLN 34 -7.065 -8.089 -3.287
274 HB3 GLN 34 HB1 GLN 34 -6.624 -7.202 -4.736
275 HG2 GLN 34 HG2 GLN 34 -4.354 -8.092 -4.588
276 HG3 GLN 34 HG1 GLN 34 -4.796 -8.969 -3.124
277 HE21 GLN 34 1HE2 GLN 34 -3.840 -9.982 -5.656
278 HE22 GLN 34 2HE2 GLN 34 -5.043 -11.084 -6.220
279 H GLN 35 H GLN 35 -7.757 -6.504 -1.316
280 HA GLN 35 HA GLN 35 -9.596 -4.721 -2.502
281 HB2 GLN 35 HB2 GLN 35 -9.364 -5.498 0.419
282 HB3 GLN 35 HB1 GLN 35 -10.756 -4.722 -0.317
283 HG2 GLN 35 HG2 GLN 35 -9.716 -7.466 -0.985
284 HG3 GLN 35 HG1 GLN 35 -11.107 -7.108 0.032
285 HE21 GLN 35 1HE2 GLN 35 -9.874 -7.174 -3.209
286 HE22 GLN 35 2HE2 GLN 35 -11.382 -7.018 -4.003
287 H GLU 36 H GLU 36 -7.182 -4.279 0.028
288 HA GLU 36 HA GLU 36 -7.655 -1.572 0.555
289 HB2 GLU 36 HB2 GLU 36 -5.183 -3.228 0.744
290 HB3 GLU 36 HB1 GLU 36 -5.226 -1.543 1.224
291 HG2 GLU 36 HG2 GLU 36 -7.135 -2.216 2.767
292 HG3 GLU 36 HG1 GLU 36 -6.678 -3.884 2.409
293 H TYR 37 H TYR 37 -5.515 -3.134 -1.705
294 HA TYR 37 HA TYR 37 -4.409 -0.814 -2.800
295 HB2 TYR 37 HB2 TYR 37 -3.461 -3.040 -3.302
296 HB3 TYR 37 HB1 TYR 37 -4.884 -3.429 -4.267
297 HD1 TYR 37 HD1 TYR 37 -2.049 -1.093 -4.015
298 HD2 TYR 37 HD2 TYR 37 -5.002 -2.778 -6.543
299 HE1 TYR 37 HE1 TYR 37 -1.028 0.033 -5.921
300 HE2 TYR 37 HE2 TYR 37 -3.968 -1.670 -8.498
301 HH TYR 37 HH TYR 37 -2.551 0.397 -8.846
302 H GLN 38 H GLN 38 -7.418 -2.455 -3.537
303 HA GLN 38 HA GLN 38 -8.071 -0.912 -5.803
304 HB2 GLN 38 HB2 GLN 38 -9.928 -2.292 -3.856
305 HB3 GLN 38 HB1 GLN 38 -10.408 -1.653 -5.422
306 HG2 GLN 38 HG2 GLN 38 -8.947 -3.226 -6.542
307 HG3 GLN 38 HG1 GLN 38 -8.374 -3.826 -4.989
308 HE21 GLN 38 1HE2 GLN 38 -9.642 -5.281 -7.116
309 HE22 GLN 38 2HE2 GLN 38 -11.059 -5.995 -6.449
310 H ARG 39 H ARG 39 -8.542 -0.400 -2.387
311 HA ARG 39 HA ARG 39 -10.203 1.906 -2.497
312 HB2 ARG 39 HB2 ARG 39 -8.037 1.338 -0.478
313 HB3 ARG 39 HB1 ARG 39 -9.404 2.409 -0.268
314 HG2 ARG 39 HG2 ARG 39 -10.905 0.518 -0.209
315 HG3 ARG 39 HG1 ARG 39 -9.561 -0.582 -0.552
316 HD2 ARG 39 HD2 ARG 39 -8.435 0.268 1.505
317 HD3 ARG 39 HD1 ARG 39 -9.900 1.169 1.875
318 HE ARG 39 HE ARG 39 -10.796 -1.320 1.543
319 HH11 ARG 39 HH11 ARG 39 -8.126 -0.021 3.486
320 HH12 ARG 39 HH12 ARG 39 -8.269 -1.137 4.743
321 HH21 ARG 39 HH21 ARG 39 -11.003 -2.913 3.260
322 HH22 ARG 39 HH22 ARG 39 -9.972 -2.851 4.614
323 H GLU 40 H GLU 40 -6.737 1.402 -2.305
324 HA GLU 40 HA GLU 40 -6.155 4.210 -2.341
325 HB2 GLU 40 HB2 GLU 40 -4.403 1.785 -2.139
326 HB3 GLU 40 HB1 GLU 40 -3.812 3.438 -2.067
327 HG2 GLU 40 HG2 GLU 40 -5.186 3.841 -0.076
328 HG3 GLU 40 HG1 GLU 40 -5.778 2.184 -0.159
329 H LYS 41 H LYS 41 -6.723 2.086 -4.819
330 HA LYS 41 HA LYS 41 -4.689 3.199 -6.572
331 HB2 LYS 41 HB2 LYS 41 -5.587 1.789 -8.333
332 HB3 LYS 41 HB1 LYS 41 -5.464 0.824 -6.868
333 HG2 LYS 41 HG2 LYS 41 -7.824 1.021 -6.481
334 HG3 LYS 41 HG1 LYS 41 -7.983 2.120 -7.842
335 HD2 LYS 41 HD2 LYS 41 -7.257 0.344 -9.354
336 HD3 LYS 41 HD1 LYS 41 -7.154 -0.774 -7.986
337 HE2 LYS 41 HE2 LYS 41 -9.511 -0.537 -7.560
338 HE3 LYS 41 HE1 LYS 41 -9.644 0.711 -8.794
339 HZ1 LYS 41 HZ1 LYS 41 -10.436 -1.401 -9.603
340 HZ2 LYS 41 HZ2 LYS 41 -8.965 -2.144 -9.295
341 HZ3 LYS 41 HZ3 LYS 41 -9.077 -0.944 -10.462
342 H GLY 42 H GLY 42 -8.018 3.663 -5.772
343 HA2 GLY 42 HA2 GLY 42 -8.319 5.556 -7.965
344 HA3 GLY 42 HA1 GLY 42 -9.634 4.873 -7.010
345 H GLN 43 H GLN 43 -6.776 6.868 -6.730
346 HA GLN 43 HA GLN 43 -7.771 8.126 -4.331
347 HB2 GLN 43 HB2 GLN 43 -5.420 8.957 -6.038
348 HB3 GLN 43 HB1 GLN 43 -5.749 9.457 -4.388
349 HG2 GLN 43 HG2 GLN 43 -5.440 7.110 -3.665
350 HG3 GLN 43 HG1 GLN 43 -5.013 6.698 -5.321
351 HE21 GLN 43 1HE2 GLN 43 -3.105 7.478 -6.173
352 HE22 GLN 43 2HE2 GLN 43 -1.818 8.041 -5.185
353 H HIS 44 H HIS 44 -9.600 9.198 -4.825
354 HA HIS 44 HA HIS 44 -9.568 11.026 -7.080
355 HB2 HIS 44 HB2 HIS 44 -11.851 10.302 -5.219
356 HB3 HIS 44 HB1 HIS 44 -11.985 11.354 -6.622
357 HD1 HIS 44 HD1 HIS 44 -12.387 7.872 -5.631
358 HD2 HIS 44 HD2 HIS 44 -11.370 9.900 -9.116
359 HE1 HIS 44 HE1 HIS 44 -12.704 6.242 -7.490
360 H GLN 45 H GLN 45 -7.913 12.264 -6.002
361 HA GLN 45 HA GLN 45 -9.126 14.418 -4.523
362 HB2 GLN 45 HB2 GLN 45 -8.088 12.806 -2.904
363 HB3 GLN 45 HB1 GLN 45 -6.560 13.042 -3.732
364 HG2 GLN 45 HG2 GLN 45 -6.596 14.324 -1.764
365 HG3 GLN 45 HG1 GLN 45 -6.627 15.401 -3.162
366 HE21 GLN 45 1HE2 GLN 45 -9.477 13.668 -1.993
367 HE22 GLN 45 2HE2 GLN 45 -10.321 15.066 -1.461
368 H GLY 46 H GLY 46 -8.825 15.897 -6.045
369 HA2 GLY 46 HA2 GLY 46 -6.518 17.139 -6.758
370 HA3 GLY 46 HA1 GLY 46 -6.648 15.819 -7.918
371 H GLU 47 H GLU 47 -9.126 17.730 -6.393
372 HA GLU 47 HA GLU 47 -10.663 17.914 -8.742
373 HB2 GLU 47 HB2 GLU 47 -11.692 17.833 -6.563
374 HB3 GLU 47 HB1 GLU 47 -10.836 19.277 -6.063
375 HG2 GLU 47 HG2 GLU 47 -12.121 20.606 -7.623
376 HG3 GLU 47 HG1 GLU 47 -12.941 19.156 -8.205
377 H THR 48 H THR 48 -10.647 19.466 -10.296
378 HA THR 48 HA THR 48 -8.755 21.583 -10.005
379 HB THR 48 HB THR 48 -9.524 22.194 -12.363
380 HG1 THR 48 HG1 THR 48 -11.448 21.275 -12.614
381 HG21 THR 48 HG21 THR 48 -8.331 20.307 -13.403
382 HG22 THR 48 HG22 THR 48 -8.465 19.398 -11.898
383 HG23 THR 48 HG23 THR 48 -7.498 20.871 -11.955
384 H ASN 49 H ASN 49 -9.723 22.602 -8.279
385 HA ASN 49 HA ASN 49 -11.491 24.698 -9.026
386 HB2 ASN 49 HB2 ASN 49 -13.126 22.915 -8.440
387 HB3 ASN 49 HB1 ASN 49 -12.339 22.733 -6.876
388 HD21 ASN 49 HD21 ASN 49 -12.917 25.815 -8.488
389 HD22 ASN 49 HD22 ASN 49 -14.041 26.385 -7.318
Start of MODEL 17
1 H1 ARG 1 HT1 ARG 1 7.347 6.935 -8.717
2 H2 ARG 1 HT2 ARG 1 8.354 8.259 -8.878
3 H3 ARG 1 HT3 ARG 1 8.670 7.083 -7.696
4 HA ARG 1 HA ARG 1 8.782 6.609 -10.612
5 HB2 ARG 1 HB2 ARG 1 11.030 6.499 -8.567
6 HB3 ARG 1 HB1 ARG 1 11.179 6.264 -10.291
7 HG2 ARG 1 HG2 ARG 1 10.622 8.850 -8.846
8 HG3 ARG 1 HG1 ARG 1 12.098 8.389 -9.671
9 HD2 ARG 1 HD2 ARG 1 9.416 8.860 -10.965
10 HD3 ARG 1 HD1 ARG 1 10.799 9.945 -11.017
11 HE ARG 1 HE ARG 1 11.782 7.667 -12.056
12 HH11 ARG 1 HH11 ARG 1 8.991 9.684 -12.830
13 HH12 ARG 1 HH12 ARG 1 8.887 9.233 -14.462
14 HH21 ARG 1 HH21 ARG 1 11.703 7.041 -14.333
15 HH22 ARG 1 HH22 ARG 1 10.507 7.669 -15.351
16 H GLY 2 H GLY 2 9.641 4.362 -11.016
17 HA2 GLY 2 HA2 GLY 2 9.804 2.095 -10.512
18 HA3 GLY 2 HA1 GLY 2 9.647 2.537 -8.822
19 HA PRO 3 HA PRO 3 5.676 0.532 -9.882
20 HB2 PRO 3 HB2 PRO 3 5.410 -0.714 -7.470
21 HB3 PRO 3 HB1 PRO 3 6.292 -1.428 -8.824
22 HG2 PRO 3 HG2 PRO 3 7.341 -0.004 -6.419
23 HG3 PRO 3 HG1 PRO 3 7.985 -1.434 -7.242
24 HD2 PRO 3 HD2 PRO 3 9.004 1.069 -7.570
25 HD3 PRO 3 HD1 PRO 3 9.077 -0.163 -8.837
26 H ASP 4 H ASP 4 3.648 0.981 -9.036
27 HA ASP 4 HA ASP 4 3.207 3.550 -7.989
28 HB2 ASP 4 HB2 ASP 4 1.352 1.166 -8.117
29 HB3 ASP 4 HB1 ASP 4 0.849 2.779 -7.648
30 H LYS 5 H LYS 5 2.427 4.190 -5.974
31 HA LYS 5 HA LYS 5 3.529 2.958 -3.726
32 HB2 LYS 5 HB2 LYS 5 2.075 4.459 -2.365
33 HB3 LYS 5 HB1 LYS 5 2.968 5.297 -3.618
34 HG2 LYS 5 HG2 LYS 5 0.928 5.376 -5.000
35 HG3 LYS 5 HG1 LYS 5 0.044 4.550 -3.715
36 HD2 LYS 5 HD2 LYS 5 0.442 6.378 -2.197
37 HD3 LYS 5 HD1 LYS 5 1.487 7.171 -3.369
38 HE2 LYS 5 HE2 LYS 5 -0.660 8.256 -3.354
39 HE3 LYS 5 HE1 LYS 5 -0.439 7.422 -4.882
40 HZ1 LYS 5 HZ1 LYS 5 -1.906 5.647 -4.094
41 HZ2 LYS 5 HZ2 LYS 5 -2.676 7.129 -3.948
42 HZ3 LYS 5 HZ3 LYS 5 -2.034 6.398 -2.594
43 H SER 6 H SER 6 0.347 2.700 -5.144
44 HA SER 6 HA SER 6 -0.927 1.188 -3.192
45 HB2 SER 6 HB2 SER 6 -1.392 1.024 -6.148
46 HB3 SER 6 HB1 SER 6 -2.577 0.945 -4.841
47 HG SER 6 HG SER 6 -2.180 3.025 -6.136
48 H TYR 7 H TYR 7 1.049 0.338 -5.979
49 HA TYR 7 HA TYR 7 0.474 -2.466 -5.790
50 HB2 TYR 7 HB2 TYR 7 0.860 -1.288 -7.953
51 HB3 TYR 7 HB1 TYR 7 2.533 -1.053 -7.469
52 HD1 TYR 7 HD1 TYR 7 0.010 -3.717 -8.082
53 HD2 TYR 7 HD2 TYR 7 4.127 -2.677 -7.968
54 HE1 TYR 7 HE1 TYR 7 0.581 -5.906 -9.044
55 HE2 TYR 7 HE2 TYR 7 4.711 -4.860 -8.927
56 HH TYR 7 HH TYR 7 2.412 -6.901 -10.315
57 H LYS 8 H LYS 8 3.161 -0.343 -4.867
58 HA LYS 8 HA LYS 8 4.799 -2.540 -4.217
59 HB2 LYS 8 HB2 LYS 8 6.340 -0.931 -3.233
60 HB3 LYS 8 HB1 LYS 8 5.689 -0.368 -4.772
61 HG2 LYS 8 HG2 LYS 8 4.168 1.114 -3.624
62 HG3 LYS 8 HG1 LYS 8 4.805 0.602 -2.064
63 HD2 LYS 8 HD2 LYS 8 6.468 1.883 -4.244
64 HD3 LYS 8 HD1 LYS 8 5.764 2.767 -2.895
65 HE2 LYS 8 HE2 LYS 8 7.689 0.461 -2.585
66 HE3 LYS 8 HE1 LYS 8 8.189 2.143 -2.621
67 HZ1 LYS 8 HZ1 LYS 8 6.798 2.531 -0.643
68 HZ2 LYS 8 HZ2 LYS 8 7.965 1.371 -0.348
69 HZ3 LYS 8 HZ3 LYS 8 6.382 0.901 -0.602
70 H ARG 9 H ARG 9 2.431 -0.683 -2.397
71 HA ARG 9 HA ARG 9 3.082 -1.920 0.073
72 HB2 ARG 9 HB2 ARG 9 0.496 -0.654 -0.829
73 HB3 ARG 9 HB1 ARG 9 0.779 -1.226 0.806
74 HG2 ARG 9 HG2 ARG 9 2.750 0.390 0.841
75 HG3 ARG 9 HG1 ARG 9 2.054 1.076 -0.630
76 HD2 ARG 9 HD2 ARG 9 1.264 2.326 1.276
77 HD3 ARG 9 HD1 ARG 9 -0.072 1.402 0.579
78 HE ARG 9 HE ARG 9 1.279 -0.015 2.643
79 HH11 ARG 9 HH11 ARG 9 -1.268 2.429 2.105
80 HH12 ARG 9 HH12 ARG 9 -2.031 2.137 3.586
81 HH21 ARG 9 HH21 ARG 9 0.197 -0.381 4.702
82 HH22 ARG 9 HH22 ARG 9 -1.225 0.485 5.058
83 H LEU 10 H LEU 10 0.932 -2.702 -2.559
84 HA LEU 10 HA LEU 10 -0.335 -4.933 -1.476
85 HB2 LEU 10 HB2 LEU 10 -1.115 -4.079 -3.570
86 HB3 LEU 10 HB1 LEU 10 0.452 -4.292 -4.317
87 HG LEU 10 HG LEU 10 0.171 -6.711 -4.306
88 HD11 LEU 10 HD11 LEU 10 -1.089 -7.062 -2.336
89 HD12 LEU 10 HD12 LEU 10 -2.007 -7.718 -3.695
90 HD13 LEU 10 HD13 LEU 10 -2.476 -6.174 -2.973
91 HD21 LEU 10 HD21 LEU 10 -1.671 -6.887 -5.916
92 HD22 LEU 10 HD22 LEU 10 -0.642 -5.489 -6.233
93 HD23 LEU 10 HD23 LEU 10 -2.212 -5.272 -5.459
94 H GLN 11 H GLN 11 2.705 -4.719 -3.257
95 HA GLN 11 HA GLN 11 3.511 -7.372 -3.276
96 HB2 GLN 11 HB2 GLN 11 5.267 -4.952 -2.829
97 HB3 GLN 11 HB1 GLN 11 5.822 -6.541 -3.319
98 HG2 GLN 11 HG2 GLN 11 4.666 -6.339 -5.413
99 HG3 GLN 11 HG1 GLN 11 3.981 -4.792 -4.914
100 HE21 GLN 11 1HE2 GLN 11 4.904 -3.649 -6.515
101 HE22 GLN 11 2HE2 GLN 11 6.601 -3.369 -6.679
102 H GLU 12 H GLU 12 4.101 -4.935 -0.777
103 HA GLU 12 HA GLU 12 5.541 -6.572 1.003
104 HB2 GLU 12 HB2 GLU 12 3.884 -4.105 1.468
105 HB3 GLU 12 HB1 GLU 12 4.915 -4.841 2.686
106 HG2 GLU 12 HG2 GLU 12 5.930 -3.892 0.023
107 HG3 GLU 12 HG1 GLU 12 5.869 -2.877 1.462
108 H CYS 13 H CYS 13 2.130 -5.686 0.869
109 HA CYS 13 HA CYS 13 1.301 -7.021 3.172
110 HB2 CYS 13 HB2 CYS 13 -0.020 -5.313 1.947
111 HB3 CYS 13 HB1 CYS 13 -0.322 -6.492 0.681
112 H GLN 14 H GLN 14 1.288 -8.143 -0.224
113 HA GLN 14 HA GLN 14 0.257 -10.645 0.555
114 HB2 GLN 14 HB2 GLN 14 0.824 -11.447 -1.743
115 HB3 GLN 14 HB1 GLN 14 -0.202 -10.027 -1.691
116 HG2 GLN 14 HG2 GLN 14 1.582 -8.624 -2.291
117 HG3 GLN 14 HG1 GLN 14 2.768 -9.940 -2.162
118 HE21 GLN 14 1HE2 GLN 14 0.208 -8.527 -3.995
119 HE22 GLN 14 2HE2 GLN 14 0.477 -9.451 -5.431
120 H ARG 15 H ARG 15 3.567 -9.502 0.097
121 HA ARG 15 HA ARG 15 4.885 -11.952 0.346
122 HB2 ARG 15 HB2 ARG 15 5.605 -9.159 1.156
123 HB3 ARG 15 HB1 ARG 15 6.643 -10.490 1.632
124 HG2 ARG 15 HG2 ARG 15 5.869 -10.081 -1.236
125 HG3 ARG 15 HG1 ARG 15 7.197 -9.180 -0.507
126 HD2 ARG 15 HD2 ARG 15 8.061 -11.135 -1.635
127 HD3 ARG 15 HD1 ARG 15 8.284 -11.302 0.098
128 HE ARG 15 HE ARG 15 6.071 -12.627 -1.327
129 HH11 ARG 15 HH11 ARG 15 8.830 -12.822 0.912
130 HH12 ARG 15 HH12 ARG 15 8.691 -14.493 1.155
131 HH21 ARG 15 HH21 ARG 15 5.902 -14.916 -0.993
132 HH22 ARG 15 HH22 ARG 15 6.989 -15.739 0.021
133 H ARG 16 H ARG 16 3.601 -9.819 2.824
134 HA ARG 16 HA ARG 16 4.424 -11.395 5.016
135 HB2 ARG 16 HB2 ARG 16 2.129 -9.436 4.790
136 HB3 ARG 16 HB1 ARG 16 2.665 -10.161 6.297
137 HG2 ARG 16 HG2 ARG 16 4.355 -8.397 4.537
138 HG3 ARG 16 HG1 ARG 16 3.480 -7.858 5.970
139 HD2 ARG 16 HD2 ARG 16 5.651 -9.959 5.917
140 HD3 ARG 16 HD1 ARG 16 5.852 -8.294 6.451
141 HE ARG 16 HE ARG 16 3.851 -9.153 8.004
142 HH11 ARG 16 HH11 ARG 16 6.997 -10.586 7.300
143 HH12 ARG 16 HH12 ARG 16 7.194 -11.292 8.837
144 HH21 ARG 16 HH21 ARG 16 4.116 -10.059 10.114
145 HH22 ARG 16 HH22 ARG 16 5.492 -10.984 10.509
146 H CYS 17 H CYS 17 1.385 -11.241 3.279
147 HA CYS 17 HA CYS 17 0.040 -13.221 4.676
148 HB2 CYS 17 HB2 CYS 17 -0.122 -12.488 1.771
149 HB3 CYS 17 HB1 CYS 17 -1.255 -13.554 2.584
150 H GLN 18 H GLN 18 2.335 -13.549 2.026
151 HA GLN 18 HA GLN 18 1.916 -16.346 1.679
152 HB2 GLN 18 HB2 GLN 18 4.195 -14.584 0.817
153 HB3 GLN 18 HB1 GLN 18 3.931 -16.236 0.275
154 HG2 GLN 18 HG2 GLN 18 1.753 -15.542 -0.629
155 HG3 GLN 18 HG1 GLN 18 2.098 -13.919 -0.121
156 HE21 GLN 18 1HE2 GLN 18 1.711 -15.038 -2.821
157 HE22 GLN 18 2HE2 GLN 18 3.085 -14.503 -3.712
158 H SER 19 H SER 19 3.603 -14.587 4.000
159 HA SER 19 HA SER 19 5.410 -16.812 4.524
160 HB2 SER 19 HB2 SER 19 5.324 -14.060 5.773
161 HB3 SER 19 HB1 SER 19 6.598 -15.268 5.964
162 HG SER 19 HG SER 19 5.862 -13.862 3.608
163 H GLU 20 H GLU 20 3.000 -14.740 6.165
164 HA GLU 20 HA GLU 20 3.062 -16.314 8.543
165 HB2 GLU 20 HB2 GLU 20 1.237 -14.103 7.648
166 HB3 GLU 20 HB1 GLU 20 1.417 -14.714 9.290
167 HG2 GLU 20 HG2 GLU 20 3.664 -13.534 7.712
168 HG3 GLU 20 HG1 GLU 20 2.632 -12.573 8.752
169 H GLN 21 H GLN 21 1.166 -16.313 5.580
170 HA GLN 21 HA GLN 21 -0.786 -18.068 6.868
171 HB2 GLN 21 HB2 GLN 21 -1.281 -16.006 4.718
172 HB3 GLN 21 HB1 GLN 21 -2.480 -17.101 5.381
173 HG2 GLN 21 HG2 GLN 21 -1.006 -15.093 7.064
174 HG3 GLN 21 HG1 GLN 21 -2.531 -14.737 6.264
175 HE21 GLN 21 1HE2 GLN 21 -0.992 -16.645 8.739
176 HE22 GLN 21 2HE2 GLN 21 -2.454 -17.011 9.569
177 H GLN 22 H GLN 22 -1.785 -19.565 5.366
178 HA GLN 22 HA GLN 22 -0.602 -19.888 2.776
179 HB2 GLN 22 HB2 GLN 22 -0.080 -22.299 3.203
180 HB3 GLN 22 HB1 GLN 22 0.995 -21.167 3.999
181 HG2 GLN 22 HG2 GLN 22 -0.231 -21.524 6.096
182 HG3 GLN 22 HG1 GLN 22 -1.275 -22.678 5.264
183 HE21 GLN 22 1HE2 GLN 22 1.920 -22.061 6.449
184 HE22 GLN 22 2HE2 GLN 22 2.473 -23.684 6.387
185 H GLY 23 H GLY 23 -1.675 -21.540 1.565
186 HA2 GLY 23 HA2 GLY 23 -3.563 -22.478 0.675
187 HA3 GLY 23 HA1 GLY 23 -3.914 -22.995 2.314
188 H GLN 24 H GLN 24 -5.742 -22.357 3.085
189 HA GLN 24 HA GLN 24 -7.511 -20.645 1.660
190 HB2 GLN 24 HB2 GLN 24 -8.311 -22.583 2.911
191 HB3 GLN 24 HB1 GLN 24 -7.702 -21.893 4.405
192 HG2 GLN 24 HG2 GLN 24 -9.296 -20.035 4.173
193 HG3 GLN 24 HG1 GLN 24 -9.934 -20.792 2.713
194 HE21 GLN 24 1HE2 GLN 24 -11.237 -20.194 5.247
195 HE22 GLN 24 2HE2 GLN 24 -11.845 -21.693 5.840
196 H ARG 25 H ARG 25 -5.545 -20.367 4.557
197 HA ARG 25 HA ARG 25 -6.626 -17.869 5.344
198 HB2 ARG 25 HB2 ARG 25 -4.006 -19.179 6.009
199 HB3 ARG 25 HB1 ARG 25 -4.721 -17.819 6.874
200 HG2 ARG 25 HG2 ARG 25 -5.948 -20.540 6.587
201 HG3 ARG 25 HG1 ARG 25 -5.101 -19.964 8.015
202 HD2 ARG 25 HD2 ARG 25 -6.784 -18.143 8.214
203 HD3 ARG 25 HD1 ARG 25 -7.606 -18.783 6.797
204 HE ARG 25 HE ARG 25 -7.262 -20.646 8.936
205 HH11 ARG 25 HH11 ARG 25 -9.392 -18.195 7.455
206 HH12 ARG 25 HH12 ARG 25 -10.779 -18.696 8.295
207 HH21 ARG 25 HH21 ARG 25 -9.195 -21.379 10.020
208 HH22 ARG 25 HH22 ARG 25 -10.680 -20.593 9.764
209 H LEU 26 H LEU 26 -4.165 -18.857 3.171
210 HA LEU 26 HA LEU 26 -2.918 -16.332 2.893
211 HB2 LEU 26 HB2 LEU 26 -1.724 -18.184 2.212
212 HB3 LEU 26 HB1 LEU 26 -2.973 -18.756 1.108
213 HG LEU 26 HG LEU 26 -2.454 -16.801 -0.350
214 HD11 LEU 26 HD11 LEU 26 -0.390 -15.535 0.081
215 HD12 LEU 26 HD12 LEU 26 -0.273 -16.308 1.672
216 HD13 LEU 26 HD13 LEU 26 -1.638 -15.265 1.290
217 HD21 LEU 26 HD21 LEU 26 -1.393 -18.958 -0.759
218 HD22 LEU 26 HD22 LEU 26 -0.093 -18.529 0.351
219 HD23 LEU 26 HD23 LEU 26 -0.300 -17.629 -1.150
220 H GLN 27 H GLN 27 -5.529 -17.938 1.106
221 HA GLN 27 HA GLN 27 -5.748 -15.888 -0.823
222 HB2 GLN 27 HB2 GLN 27 -7.875 -16.845 -1.503
223 HB3 GLN 27 HB1 GLN 27 -6.734 -18.137 -1.184
224 HG2 GLN 27 HG2 GLN 27 -7.785 -18.580 0.940
225 HG3 GLN 27 HG1 GLN 27 -8.871 -17.219 0.711
226 HE21 GLN 27 1HE2 GLN 27 -10.675 -18.466 0.870
227 HE22 GLN 27 2HE2 GLN 27 -11.162 -19.580 -0.352
228 H GLU 28 H GLU 28 -7.236 -16.296 2.327
229 HA GLU 28 HA GLU 28 -9.078 -14.149 2.134
230 HB2 GLU 28 HB2 GLU 28 -7.704 -15.182 4.620
231 HB3 GLU 28 HB1 GLU 28 -9.174 -14.227 4.564
232 HG2 GLU 28 HG2 GLU 28 -10.289 -16.089 3.399
233 HG3 GLU 28 HG1 GLU 28 -8.817 -17.042 3.580
234 H CYS 29 H CYS 29 -5.803 -14.445 3.356
235 HA CYS 29 HA CYS 29 -5.519 -11.824 4.303
236 HB2 CYS 29 HB2 CYS 29 -4.099 -13.795 4.936
237 HB3 CYS 29 HB1 CYS 29 -3.328 -13.676 3.366
238 H GLN 30 H GLN 30 -4.273 -13.317 1.255
239 HA GLN 30 HA GLN 30 -3.318 -10.798 0.417
240 HB2 GLN 30 HB2 GLN 30 -2.850 -11.781 -1.786
241 HB3 GLN 30 HB1 GLN 30 -2.229 -12.747 -0.462
242 HG2 GLN 30 HG2 GLN 30 -4.034 -14.322 -0.727
243 HG3 GLN 30 HG1 GLN 30 -4.756 -13.323 -1.992
244 HE21 GLN 30 1HE2 GLN 30 -1.296 -13.799 -1.689
245 HE22 GLN 30 2HE2 GLN 30 -1.115 -14.745 -3.109
246 H GLN 31 H GLN 31 -6.452 -12.232 0.063
247 HA GLN 31 HA GLN 31 -7.409 -10.534 -1.980
248 HB2 GLN 31 HB2 GLN 31 -8.703 -12.469 -1.210
249 HB3 GLN 31 HB1 GLN 31 -8.899 -11.729 0.371
250 HG2 GLN 31 HG2 GLN 31 -10.163 -9.884 -0.691
251 HG3 GLN 31 HG1 GLN 31 -10.033 -10.726 -2.232
252 HE21 GLN 31 1HE2 GLN 31 -10.374 -13.357 -1.024
253 HE22 GLN 31 2HE2 GLN 31 -12.035 -13.472 -0.598
254 H ARG 32 H ARG 32 -7.096 -10.160 1.508
255 HA ARG 32 HA ARG 32 -8.353 -7.641 1.697
256 HB2 ARG 32 HB2 ARG 32 -6.247 -8.924 3.440
257 HB3 ARG 32 HB1 ARG 32 -7.033 -7.407 3.837
258 HG2 ARG 32 HG2 ARG 32 -9.209 -8.599 3.811
259 HG3 ARG 32 HG1 ARG 32 -8.328 -10.106 3.566
260 HD2 ARG 32 HD2 ARG 32 -7.920 -8.248 5.904
261 HD3 ARG 32 HD1 ARG 32 -8.953 -9.669 5.931
262 HE ARG 32 HE ARG 32 -7.004 -11.023 5.600
263 HH11 ARG 32 HH11 ARG 32 -6.363 -7.677 6.609
264 HH12 ARG 32 HH12 ARG 32 -4.879 -8.047 7.346
265 HH21 ARG 32 HH21 ARG 32 -4.947 -11.513 6.703
266 HH22 ARG 32 HH22 ARG 32 -4.054 -10.245 7.382
267 H CYS 33 H CYS 33 -5.098 -8.627 0.966
268 HA CYS 33 HA CYS 33 -3.924 -6.071 0.950
269 HB2 CYS 33 HB2 CYS 33 -3.175 -8.498 -0.680
270 HB3 CYS 33 HB1 CYS 33 -2.150 -7.097 -0.380
271 H GLN 34 H GLN 34 -5.774 -7.853 -1.450
272 HA GLN 34 HA GLN 34 -5.284 -6.097 -3.636
273 HB2 GLN 34 HB2 GLN 34 -7.689 -7.851 -3.136
274 HB3 GLN 34 HB1 GLN 34 -7.233 -7.140 -4.674
275 HG2 GLN 34 HG2 GLN 34 -5.142 -8.471 -4.593
276 HG3 GLN 34 HG1 GLN 34 -5.753 -9.229 -3.123
277 HE21 GLN 34 1HE2 GLN 34 -6.099 -8.943 -6.526
278 HE22 GLN 34 2HE2 GLN 34 -7.134 -10.305 -6.751
279 H GLN 35 H GLN 35 -7.658 -6.310 -1.108
280 HA GLN 35 HA GLN 35 -9.328 -4.189 -1.884
281 HB2 GLN 35 HB2 GLN 35 -8.644 -5.160 0.897
282 HB3 GLN 35 HB1 GLN 35 -9.949 -4.044 0.528
283 HG2 GLN 35 HG2 GLN 35 -9.728 -6.883 -0.450
284 HG3 GLN 35 HG1 GLN 35 -10.760 -6.325 0.863
285 HE21 GLN 35 1HE2 GLN 35 -10.299 -6.461 -2.558
286 HE22 GLN 35 2HE2 GLN 35 -11.848 -5.871 -3.012
287 H GLU 36 H GLU 36 -6.589 -4.209 0.404
288 HA GLU 36 HA GLU 36 -6.326 -1.501 0.803
289 HB2 GLU 36 HB2 GLU 36 -4.510 -3.838 0.959
290 HB3 GLU 36 HB1 GLU 36 -3.761 -2.252 0.926
291 HG2 GLU 36 HG2 GLU 36 -4.161 -3.222 3.194
292 HG3 GLU 36 HG1 GLU 36 -4.801 -1.605 2.943
293 H TYR 37 H TYR 37 -4.987 -3.450 -1.827
294 HA TYR 37 HA TYR 37 -3.450 -1.527 -3.136
295 HB2 TYR 37 HB2 TYR 37 -3.331 -3.842 -3.812
296 HB3 TYR 37 HB1 TYR 37 -5.032 -3.856 -4.241
297 HD1 TYR 37 HD1 TYR 37 -1.864 -2.087 -5.182
298 HD2 TYR 37 HD2 TYR 37 -5.592 -3.672 -6.483
299 HE1 TYR 37 HE1 TYR 37 -1.270 -1.566 -7.509
300 HE2 TYR 37 HE2 TYR 37 -5.006 -3.154 -8.813
301 HH TYR 37 HH TYR 37 -1.854 -2.277 -9.763
302 H GLN 38 H GLN 38 -6.857 -2.268 -3.594
303 HA GLN 38 HA GLN 38 -7.272 -0.221 -5.528
304 HB2 GLN 38 HB2 GLN 38 -9.248 -1.712 -3.807
305 HB3 GLN 38 HB1 GLN 38 -9.674 -0.699 -5.182
306 HG2 GLN 38 HG2 GLN 38 -8.452 -2.165 -6.680
307 HG3 GLN 38 HG1 GLN 38 -7.938 -3.154 -5.319
308 HE21 GLN 38 1HE2 GLN 38 -10.562 -2.973 -4.024
309 HE22 GLN 38 2HE2 GLN 38 -11.587 -4.034 -4.920
310 H ARG 39 H ARG 39 -7.489 -0.375 -2.060
311 HA ARG 39 HA ARG 39 -8.832 2.101 -1.690
312 HB2 ARG 39 HB2 ARG 39 -7.174 0.416 0.181
313 HB3 ARG 39 HB1 ARG 39 -7.975 1.898 0.683
314 HG2 ARG 39 HG2 ARG 39 -10.132 0.983 0.196
315 HG3 ARG 39 HG1 ARG 39 -9.410 -0.442 -0.542
316 HD2 ARG 39 HD2 ARG 39 -8.522 -1.130 1.611
317 HD3 ARG 39 HD1 ARG 39 -9.162 0.330 2.367
318 HE ARG 39 HE ARG 39 -11.379 -0.596 1.445
319 HH11 ARG 39 HH11 ARG 39 -8.805 -2.565 2.923
320 HH12 ARG 39 HH12 ARG 39 -9.864 -3.763 3.463
321 HH21 ARG 39 HH21 ARG 39 -12.800 -2.247 2.204
322 HH22 ARG 39 HH22 ARG 39 -12.204 -3.601 3.039
323 H GLU 40 H GLU 40 -5.477 1.230 -1.989
324 HA GLU 40 HA GLU 40 -4.549 3.852 -1.357
325 HB2 GLU 40 HB2 GLU 40 -3.146 1.544 -2.695
326 HB3 GLU 40 HB1 GLU 40 -2.360 3.041 -2.220
327 HG2 GLU 40 HG2 GLU 40 -3.683 1.057 -0.385
328 HG3 GLU 40 HG1 GLU 40 -1.949 1.288 -0.602
329 H LYS 41 H LYS 41 -5.676 2.298 -4.236
330 HA LYS 41 HA LYS 41 -4.548 4.297 -5.980
331 HB2 LYS 41 HB2 LYS 41 -6.684 2.231 -6.505
332 HB3 LYS 41 HB1 LYS 41 -5.966 3.271 -7.722
333 HG2 LYS 41 HG2 LYS 41 -3.768 2.245 -7.212
334 HG3 LYS 41 HG1 LYS 41 -4.591 1.136 -6.118
335 HD2 LYS 41 HD2 LYS 41 -4.234 0.065 -8.270
336 HD3 LYS 41 HD1 LYS 41 -5.958 0.326 -8.003
337 HE2 LYS 41 HE2 LYS 41 -5.959 2.237 -9.447
338 HE3 LYS 41 HE1 LYS 41 -4.202 2.193 -9.577
339 HZ1 LYS 41 HZ1 LYS 41 -6.085 0.126 -10.597
340 HZ2 LYS 41 HZ2 LYS 41 -4.396 0.114 -10.797
341 HZ3 LYS 41 HZ3 LYS 41 -5.320 1.300 -11.520
342 H GLY 42 H GLY 42 -7.796 3.474 -4.841
343 HA2 GLY 42 HA2 GLY 42 -8.986 5.601 -4.106
344 HA3 GLY 42 HA1 GLY 42 -8.733 6.079 -5.786
345 H GLN 43 H GLN 43 -11.224 5.797 -4.530
346 HA GLN 43 HA GLN 43 -12.432 3.287 -5.206
347 HB2 GLN 43 HB2 GLN 43 -13.621 5.948 -4.389
348 HB3 GLN 43 HB1 GLN 43 -14.534 4.456 -4.557
349 HG2 GLN 43 HG2 GLN 43 -13.366 3.447 -2.744
350 HG3 GLN 43 HG1 GLN 43 -12.214 4.777 -2.680
351 HE21 GLN 43 1HE2 GLN 43 -13.987 3.679 -0.645
352 HE22 GLN 43 2HE2 GLN 43 -14.944 4.992 -0.075
353 H HIS 44 H HIS 44 -12.273 2.890 -7.367
354 HA HIS 44 HA HIS 44 -12.318 3.134 -9.566
355 HB2 HIS 44 HB2 HIS 44 -15.104 3.961 -8.790
356 HB3 HIS 44 HB1 HIS 44 -14.583 3.686 -10.450
357 HD1 HIS 44 HD1 HIS 44 -15.938 1.887 -7.563
358 HD2 HIS 44 HD2 HIS 44 -13.620 0.993 -10.895
359 HE1 HIS 44 HE1 HIS 44 -16.059 -0.611 -7.856
360 H GLN 45 H GLN 45 -10.718 4.886 -9.254
361 HA GLN 45 HA GLN 45 -11.650 7.336 -10.521
362 HB2 GLN 45 HB2 GLN 45 -9.680 6.946 -8.278
363 HB3 GLN 45 HB1 GLN 45 -9.788 8.414 -9.226
364 HG2 GLN 45 HG2 GLN 45 -11.993 7.245 -7.536
365 HG3 GLN 45 HG1 GLN 45 -10.956 8.586 -7.061
366 HE21 GLN 45 1HE2 GLN 45 -13.570 7.580 -9.088
367 HE22 GLN 45 2HE2 GLN 45 -14.096 9.166 -9.527
368 H GLY 46 H GLY 46 -9.785 8.408 -11.640
369 HA2 GLY 46 HA2 GLY 46 -7.709 6.530 -12.422
370 HA3 GLY 46 HA1 GLY 46 -8.747 7.200 -13.673
371 H GLU 47 H GLU 47 -6.046 7.550 -13.693
372 HA GLU 47 HA GLU 47 -4.487 9.073 -14.133
373 HB2 GLU 47 HB2 GLU 47 -6.771 11.003 -13.886
374 HB3 GLU 47 HB1 GLU 47 -5.168 11.441 -14.489
375 HG2 GLU 47 HG2 GLU 47 -5.445 9.805 -16.300
376 HG3 GLU 47 HG1 GLU 47 -7.054 9.430 -15.697
377 H THR 48 H THR 48 -5.378 8.439 -11.343
378 HA THR 48 HA THR 48 -3.559 10.326 -10.135
379 HB THR 48 HB THR 48 -5.671 11.045 -9.260
380 HG1 THR 48 HG1 THR 48 -5.006 11.137 -7.331
381 HG21 THR 48 HG21 THR 48 -7.298 9.574 -8.131
382 HG22 THR 48 HG22 THR 48 -6.292 8.179 -8.511
383 HG23 THR 48 HG23 THR 48 -7.055 9.092 -9.813
384 H ASN 49 H ASN 49 -2.029 8.855 -10.652
385 HA ASN 49 HA ASN 49 -2.093 6.434 -9.054
386 HB2 ASN 49 HB2 ASN 49 -1.108 6.652 -11.909
387 HB3 ASN 49 HB1 ASN 49 -0.900 5.241 -10.880
388 HD21 ASN 49 HD21 ASN 49 -2.776 4.079 -10.255
389 HD22 ASN 49 HD22 ASN 49 -4.216 4.140 -11.223
Start of MODEL 18
1 H1 ARG 1 HT1 ARG 1 4.841 8.696 -15.028
2 H2 ARG 1 HT2 ARG 1 6.320 7.967 -14.616
3 H3 ARG 1 HT3 ARG 1 5.260 8.469 -13.415
4 HA ARG 1 HA ARG 1 3.669 6.893 -13.971
5 HB2 ARG 1 HB2 ARG 1 4.093 6.791 -16.414
6 HB3 ARG 1 HB1 ARG 1 5.621 5.983 -16.113
7 HG2 ARG 1 HG2 ARG 1 3.922 4.393 -16.826
8 HG3 ARG 1 HG1 ARG 1 4.428 4.064 -15.168
9 HD2 ARG 1 HD2 ARG 1 2.446 5.247 -14.345
10 HD3 ARG 1 HD1 ARG 1 1.923 5.533 -16.008
11 HE ARG 1 HE ARG 1 2.331 2.806 -15.655
12 HH11 ARG 1 HH11 ARG 1 0.101 5.300 -14.499
13 HH12 ARG 1 HH12 ARG 1 -1.189 4.230 -14.220
14 HH21 ARG 1 HH21 ARG 1 0.631 1.348 -15.260
15 HH22 ARG 1 HH22 ARG 1 -0.880 1.877 -14.658
16 H GLY 2 H GLY 2 4.231 6.505 -11.884
17 HA2 GLY 2 HA2 GLY 2 6.158 4.330 -11.565
18 HA3 GLY 2 HA1 GLY 2 6.151 5.712 -10.466
19 HA PRO 3 HA PRO 3 2.855 2.322 -9.502
20 HB2 PRO 3 HB2 PRO 3 4.165 0.987 -7.513
21 HB3 PRO 3 HB1 PRO 3 4.204 0.477 -9.206
22 HG2 PRO 3 HG2 PRO 3 6.197 2.097 -7.673
23 HG3 PRO 3 HG1 PRO 3 6.488 0.735 -8.775
24 HD2 PRO 3 HD2 PRO 3 6.836 3.256 -9.590
25 HD3 PRO 3 HD1 PRO 3 6.121 2.037 -10.669
26 H ASP 4 H ASP 4 1.564 2.442 -7.716
27 HA ASP 4 HA ASP 4 1.769 4.851 -6.190
28 HB2 ASP 4 HB2 ASP 4 -0.133 2.524 -5.758
29 HB3 ASP 4 HB1 ASP 4 -0.297 4.128 -5.067
30 H LYS 5 H LYS 5 2.015 5.008 -3.918
31 HA LYS 5 HA LYS 5 3.895 3.185 -2.843
32 HB2 LYS 5 HB2 LYS 5 2.355 5.433 -1.550
33 HB3 LYS 5 HB1 LYS 5 3.598 4.501 -0.724
34 HG2 LYS 5 HG2 LYS 5 5.221 5.186 -2.434
35 HG3 LYS 5 HG1 LYS 5 3.969 6.155 -3.198
36 HD2 LYS 5 HD2 LYS 5 3.788 7.569 -1.275
37 HD3 LYS 5 HD1 LYS 5 4.882 6.534 -0.355
38 HE2 LYS 5 HE2 LYS 5 5.996 8.565 -1.212
39 HE3 LYS 5 HE1 LYS 5 6.714 7.088 -1.833
40 HZ1 LYS 5 HZ1 LYS 5 4.780 8.801 -3.296
41 HZ2 LYS 5 HZ2 LYS 5 5.500 7.408 -3.898
42 HZ3 LYS 5 HZ3 LYS 5 6.445 8.755 -3.548
43 H SER 6 H SER 6 0.486 3.503 -2.650
44 HA SER 6 HA SER 6 0.074 1.575 -0.643
45 HB2 SER 6 HB2 SER 6 -1.713 2.400 -2.934
46 HB3 SER 6 HB1 SER 6 -2.220 1.443 -1.544
47 HG SER 6 HG SER 6 -1.317 4.135 -1.555
48 H TYR 7 H TYR 7 0.891 1.337 -4.026
49 HA TYR 7 HA TYR 7 0.089 -1.414 -4.256
50 HB2 TYR 7 HB2 TYR 7 0.201 0.144 -6.241
51 HB3 TYR 7 HB1 TYR 7 1.953 0.124 -6.091
52 HD1 TYR 7 HD1 TYR 7 -1.009 -1.973 -6.794
53 HD2 TYR 7 HD2 TYR 7 3.225 -1.682 -6.992
54 HE1 TYR 7 HE1 TYR 7 -0.944 -3.988 -8.196
55 HE2 TYR 7 HE2 TYR 7 3.296 -3.702 -8.393
56 HH TYR 7 HH TYR 7 0.548 -4.963 -9.839
57 H LYS 8 H LYS 8 2.956 0.407 -3.497
58 HA LYS 8 HA LYS 8 4.821 -1.691 -3.551
59 HB2 LYS 8 HB2 LYS 8 4.732 0.773 -1.814
60 HB3 LYS 8 HB1 LYS 8 6.147 -0.259 -2.004
61 HG2 LYS 8 HG2 LYS 8 6.200 0.309 -4.393
62 HG3 LYS 8 HG1 LYS 8 4.803 1.362 -4.161
63 HD2 LYS 8 HD2 LYS 8 6.109 2.693 -2.548
64 HD3 LYS 8 HD1 LYS 8 7.507 1.661 -2.852
65 HE2 LYS 8 HE2 LYS 8 7.482 2.328 -5.208
66 HE3 LYS 8 HE1 LYS 8 6.079 3.347 -4.903
67 HZ1 LYS 8 HZ1 LYS 8 8.787 3.703 -3.728
68 HZ2 LYS 8 HZ2 LYS 8 7.456 4.657 -3.367
69 HZ3 LYS 8 HZ3 LYS 8 8.076 4.656 -4.926
70 H ARG 9 H ARG 9 2.808 -0.366 -0.988
71 HA ARG 9 HA ARG 9 3.530 -2.243 0.992
72 HB2 ARG 9 HB2 ARG 9 1.027 -0.611 0.701
73 HB3 ARG 9 HB1 ARG 9 1.455 -1.545 2.125
74 HG2 ARG 9 HG2 ARG 9 3.454 -0.170 2.412
75 HG3 ARG 9 HG1 ARG 9 2.980 0.784 0.999
76 HD2 ARG 9 HD2 ARG 9 1.321 0.381 3.450
77 HD3 ARG 9 HD1 ARG 9 2.306 1.818 3.142
78 HE ARG 9 HE ARG 9 0.884 2.193 1.188
79 HH11 ARG 9 HH11 ARG 9 -0.408 0.023 3.687
80 HH12 ARG 9 HH12 ARG 9 -2.027 0.452 3.405
81 HH21 ARG 9 HH21 ARG 9 -1.381 2.780 0.818
82 HH22 ARG 9 HH22 ARG 9 -2.572 2.106 1.822
83 H LEU 10 H LEU 10 0.871 -2.115 -1.301
84 HA LEU 10 HA LEU 10 -0.554 -4.367 -0.660
85 HB2 LEU 10 HB2 LEU 10 -1.216 -2.780 -2.400
86 HB3 LEU 10 HB1 LEU 10 0.132 -3.256 -3.380
87 HG LEU 10 HG LEU 10 -2.266 -4.035 -3.993
88 HD11 LEU 10 HD11 LEU 10 0.004 -5.987 -4.002
89 HD12 LEU 10 HD12 LEU 10 -0.326 -4.723 -5.207
90 HD13 LEU 10 HD13 LEU 10 -1.467 -6.055 -4.982
91 HD21 LEU 10 HD21 LEU 10 -2.868 -4.979 -1.852
92 HD22 LEU 10 HD22 LEU 10 -1.516 -6.103 -1.951
93 HD23 LEU 10 HD23 LEU 10 -2.853 -6.233 -3.092
94 H GLN 11 H GLN 11 2.218 -4.248 -2.809
95 HA GLN 11 HA GLN 11 2.546 -6.981 -3.271
96 HB2 GLN 11 HB2 GLN 11 4.612 -4.793 -3.068
97 HB3 GLN 11 HB1 GLN 11 4.964 -6.419 -3.633
98 HG2 GLN 11 HG2 GLN 11 3.533 -6.141 -5.523
99 HG3 GLN 11 HG1 GLN 11 2.950 -4.593 -4.911
100 HE21 GLN 11 1HE2 GLN 11 4.234 -2.813 -5.074
101 HE22 GLN 11 2HE2 GLN 11 5.646 -2.752 -6.075
102 H GLU 12 H GLU 12 4.119 -4.974 -0.788
103 HA GLU 12 HA GLU 12 5.476 -7.000 0.542
104 HB2 GLU 12 HB2 GLU 12 4.417 -4.350 1.474
105 HB3 GLU 12 HB1 GLU 12 5.416 -5.383 2.478
106 HG2 GLU 12 HG2 GLU 12 6.211 -4.289 -0.194
107 HG3 GLU 12 HG1 GLU 12 6.683 -3.610 1.362
108 H CYS 13 H CYS 13 2.220 -5.764 1.064
109 HA CYS 13 HA CYS 13 1.550 -7.118 3.399
110 HB2 CYS 13 HB2 CYS 13 0.223 -5.271 2.334
111 HB3 CYS 13 HB1 CYS 13 -0.320 -6.419 1.120
112 H GLN 14 H GLN 14 1.058 -8.068 0.003
113 HA GLN 14 HA GLN 14 -0.044 -10.555 0.802
114 HB2 GLN 14 HB2 GLN 14 0.090 -11.213 -1.603
115 HB3 GLN 14 HB1 GLN 14 -0.808 -9.737 -1.298
116 HG2 GLN 14 HG2 GLN 14 1.053 -8.418 -2.063
117 HG3 GLN 14 HG1 GLN 14 2.028 -9.874 -2.283
118 HE21 GLN 14 1HE2 GLN 14 -0.603 -7.982 -3.478
119 HE22 GLN 14 2HE2 GLN 14 -0.712 -8.758 -5.017
120 H ARG 15 H ARG 15 3.201 -9.509 0.033
121 HA ARG 15 HA ARG 15 4.382 -12.067 -0.113
122 HB2 ARG 15 HB2 ARG 15 5.567 -9.487 0.946
123 HB3 ARG 15 HB1 ARG 15 6.496 -10.932 0.583
124 HG2 ARG 15 HG2 ARG 15 4.965 -9.247 -1.394
125 HG3 ARG 15 HG1 ARG 15 6.707 -9.239 -1.165
126 HD2 ARG 15 HD2 ARG 15 5.049 -11.587 -2.109
127 HD3 ARG 15 HD1 ARG 15 6.037 -10.549 -3.130
128 HE ARG 15 HE ARG 15 7.657 -11.584 -1.120
129 HH11 ARG 15 HH11 ARG 15 5.898 -12.778 -3.978
130 HH12 ARG 15 HH12 ARG 15 6.914 -14.127 -4.180
131 HH21 ARG 15 HH21 ARG 15 9.057 -13.408 -1.474
132 HH22 ARG 15 HH22 ARG 15 8.736 -14.500 -2.729
133 H ARG 16 H ARG 16 3.673 -9.928 2.617
134 HA ARG 16 HA ARG 16 4.650 -11.602 4.650
135 HB2 ARG 16 HB2 ARG 16 2.499 -9.518 4.649
136 HB3 ARG 16 HB1 ARG 16 2.855 -10.463 6.083
137 HG2 ARG 16 HG2 ARG 16 5.156 -9.649 6.008
138 HG3 ARG 16 HG1 ARG 16 4.736 -8.645 4.616
139 HD2 ARG 16 HD2 ARG 16 4.684 -7.409 6.766
140 HD3 ARG 16 HD1 ARG 16 3.141 -7.406 5.911
141 HE ARG 16 HE ARG 16 3.051 -9.552 7.674
142 HH11 ARG 16 HH11 ARG 16 3.445 -6.040 8.030
143 HH12 ARG 16 HH12 ARG 16 2.517 -5.968 9.452
144 HH21 ARG 16 HH21 ARG 16 1.883 -9.459 9.588
145 HH22 ARG 16 HH22 ARG 16 1.594 -7.985 10.398
146 H CYS 17 H CYS 17 1.494 -11.370 3.212
147 HA CYS 17 HA CYS 17 0.176 -13.281 4.718
148 HB2 CYS 17 HB2 CYS 17 -0.126 -12.664 1.797
149 HB3 CYS 17 HB1 CYS 17 -1.251 -13.638 2.724
150 H GLN 18 H GLN 18 2.315 -13.753 1.959
151 HA GLN 18 HA GLN 18 1.834 -16.532 1.616
152 HB2 GLN 18 HB2 GLN 18 4.324 -14.982 0.940
153 HB3 GLN 18 HB1 GLN 18 3.915 -16.575 0.330
154 HG2 GLN 18 HG2 GLN 18 1.917 -15.566 -0.754
155 HG3 GLN 18 HG1 GLN 18 2.491 -13.993 -0.229
156 HE21 GLN 18 1HE2 GLN 18 5.327 -14.752 -0.641
157 HE22 GLN 18 2HE2 GLN 18 5.570 -14.704 -2.329
158 H SER 19 H SER 19 3.775 -14.781 3.840
159 HA SER 19 HA SER 19 5.288 -17.152 4.564
160 HB2 SER 19 HB2 SER 19 5.454 -14.352 5.664
161 HB3 SER 19 HB1 SER 19 6.636 -15.646 5.879
162 HG SER 19 HG SER 19 6.568 -13.858 4.002
163 H GLU 20 H GLU 20 3.098 -14.774 6.023
164 HA GLU 20 HA GLU 20 3.100 -16.097 8.560
165 HB2 GLU 20 HB2 GLU 20 1.346 -13.859 7.569
166 HB3 GLU 20 HB1 GLU 20 1.554 -14.357 9.242
167 HG2 GLU 20 HG2 GLU 20 3.953 -13.745 9.072
168 HG3 GLU 20 HG1 GLU 20 3.642 -13.151 7.445
169 H GLN 21 H GLN 21 1.155 -16.278 5.687
170 HA GLN 21 HA GLN 21 -0.775 -17.933 7.135
171 HB2 GLN 21 HB2 GLN 21 -1.286 -16.033 4.840
172 HB3 GLN 21 HB1 GLN 21 -2.479 -17.104 5.558
173 HG2 GLN 21 HG2 GLN 21 -1.055 -14.933 7.075
174 HG3 GLN 21 HG1 GLN 21 -2.603 -14.712 6.272
175 HE21 GLN 21 1HE2 GLN 21 -0.968 -16.313 8.912
176 HE22 GLN 21 2HE2 GLN 21 -2.420 -16.662 9.770
177 H GLN 22 H GLN 22 -1.922 -19.387 5.501
178 HA GLN 22 HA GLN 22 -0.554 -19.956 3.063
179 HB2 GLN 22 HB2 GLN 22 -0.283 -22.375 3.652
180 HB3 GLN 22 HB1 GLN 22 0.839 -21.310 4.472
181 HG2 GLN 22 HG2 GLN 22 -0.503 -21.446 6.495
182 HG3 GLN 22 HG1 GLN 22 -1.680 -22.456 5.653
183 HE21 GLN 22 1HE2 GLN 22 -1.203 -24.553 5.244
184 HE22 GLN 22 2HE2 GLN 22 0.147 -25.388 5.917
185 H GLY 23 H GLY 23 -1.724 -21.651 1.921
186 HA2 GLY 23 HA2 GLY 23 -3.661 -22.513 1.048
187 HA3 GLY 23 HA1 GLY 23 -4.128 -22.798 2.716
188 H GLN 24 H GLN 24 -6.074 -22.079 3.062
189 HA GLN 24 HA GLN 24 -7.415 -20.179 1.443
190 HB2 GLN 24 HB2 GLN 24 -8.577 -22.003 2.638
191 HB3 GLN 24 HB1 GLN 24 -8.154 -21.263 4.172
192 HG2 GLN 24 HG2 GLN 24 -10.468 -20.806 3.583
193 HG3 GLN 24 HG1 GLN 24 -9.522 -19.317 3.623
194 HE21 GLN 24 1HE2 GLN 24 -11.150 -21.619 1.616
195 HE22 GLN 24 2HE2 GLN 24 -11.183 -20.649 0.193
196 H ARG 25 H ARG 25 -5.923 -20.104 4.619
197 HA ARG 25 HA ARG 25 -6.576 -17.527 5.449
198 HB2 ARG 25 HB2 ARG 25 -4.139 -19.230 5.923
199 HB3 ARG 25 HB1 ARG 25 -4.364 -17.675 6.701
200 HG2 ARG 25 HG2 ARG 25 -6.464 -19.783 6.930
201 HG3 ARG 25 HG1 ARG 25 -5.024 -19.852 7.942
202 HD2 ARG 25 HD2 ARG 25 -6.852 -18.711 9.107
203 HD3 ARG 25 HD1 ARG 25 -5.519 -17.611 8.796
204 HE ARG 25 HE ARG 25 -7.813 -17.639 6.974
205 HH11 ARG 25 HH11 ARG 25 -5.953 -15.917 9.444
206 HH12 ARG 25 HH12 ARG 25 -6.687 -14.407 9.148
207 HH21 ARG 25 HH21 ARG 25 -8.792 -15.657 6.587
208 HH22 ARG 25 HH22 ARG 25 -8.373 -14.230 7.466
209 H LEU 26 H LEU 26 -4.006 -18.659 3.364
210 HA LEU 26 HA LEU 26 -2.769 -16.128 3.009
211 HB2 LEU 26 HB2 LEU 26 -1.423 -17.911 2.547
212 HB3 LEU 26 HB1 LEU 26 -2.596 -18.731 1.524
213 HG LEU 26 HG LEU 26 -2.142 -17.080 -0.253
214 HD11 LEU 26 HD11 LEU 26 -0.183 -15.927 1.718
215 HD12 LEU 26 HD12 LEU 26 -1.630 -15.153 1.068
216 HD13 LEU 26 HD13 LEU 26 -0.268 -15.506 0.003
217 HD21 LEU 26 HD21 LEU 26 -0.810 -19.113 -0.163
218 HD22 LEU 26 HD22 LEU 26 0.351 -18.314 0.895
219 HD23 LEU 26 HD23 LEU 26 0.145 -17.758 -0.766
220 H GLN 27 H GLN 27 -5.124 -17.935 1.101
221 HA GLN 27 HA GLN 27 -5.314 -16.129 -1.021
222 HB2 GLN 27 HB2 GLN 27 -7.473 -17.925 0.101
223 HB3 GLN 27 HB1 GLN 27 -7.550 -17.102 -1.446
224 HG2 GLN 27 HG2 GLN 27 -5.634 -19.284 -0.649
225 HG3 GLN 27 HG1 GLN 27 -6.978 -19.410 -1.782
226 HE21 GLN 27 1HE2 GLN 27 -3.728 -18.436 -1.322
227 HE22 GLN 27 2HE2 GLN 27 -3.395 -17.994 -2.961
228 H GLU 28 H GLU 28 -7.205 -16.326 1.968
229 HA GLU 28 HA GLU 28 -8.853 -14.098 1.502
230 HB2 GLU 28 HB2 GLU 28 -7.867 -15.143 4.160
231 HB3 GLU 28 HB1 GLU 28 -9.236 -14.075 3.924
232 HG2 GLU 28 HG2 GLU 28 -10.374 -15.862 2.665
233 HG3 GLU 28 HG1 GLU 28 -9.002 -16.922 2.979
234 H CYS 29 H CYS 29 -5.770 -14.391 3.241
235 HA CYS 29 HA CYS 29 -5.556 -11.783 4.162
236 HB2 CYS 29 HB2 CYS 29 -4.144 -13.683 4.911
237 HB3 CYS 29 HB1 CYS 29 -3.307 -13.638 3.373
238 H GLN 30 H GLN 30 -4.079 -13.202 1.225
239 HA GLN 30 HA GLN 30 -2.929 -10.746 0.438
240 HB2 GLN 30 HB2 GLN 30 -2.404 -11.788 -1.694
241 HB3 GLN 30 HB1 GLN 30 -2.043 -12.875 -0.364
242 HG2 GLN 30 HG2 GLN 30 -4.038 -14.144 -0.812
243 HG3 GLN 30 HG1 GLN 30 -4.509 -13.023 -2.093
244 HE21 GLN 30 1HE2 GLN 30 -1.246 -14.107 -1.495
245 HE22 GLN 30 2HE2 GLN 30 -1.085 -15.031 -2.931
246 H GLN 31 H GLN 31 -6.020 -12.227 -0.341
247 HA GLN 31 HA GLN 31 -6.667 -10.390 -2.386
248 HB2 GLN 31 HB2 GLN 31 -7.745 -12.614 -2.099
249 HB3 GLN 31 HB1 GLN 31 -8.535 -12.009 -0.652
250 HG2 GLN 31 HG2 GLN 31 -9.730 -10.360 -1.975
251 HG3 GLN 31 HG1 GLN 31 -8.907 -10.928 -3.429
252 HE21 GLN 31 1HE2 GLN 31 -9.477 -12.922 -4.312
253 HE22 GLN 31 2HE2 GLN 31 -10.938 -13.709 -3.838
254 H ARG 32 H ARG 32 -7.240 -10.474 1.104
255 HA ARG 32 HA ARG 32 -8.743 -8.083 1.099
256 HB2 ARG 32 HB2 ARG 32 -7.314 -9.498 3.351
257 HB3 ARG 32 HB1 ARG 32 -8.214 -8.006 3.598
258 HG2 ARG 32 HG2 ARG 32 -10.249 -9.111 2.796
259 HG3 ARG 32 HG1 ARG 32 -9.340 -10.597 2.544
260 HD2 ARG 32 HD2 ARG 32 -10.585 -10.710 4.629
261 HD3 ARG 32 HD1 ARG 32 -8.856 -10.697 4.955
262 HE ARG 32 HE ARG 32 -9.568 -8.085 5.165
263 HH11 ARG 32 HH11 ARG 32 -10.771 -11.035 6.714
264 HH12 ARG 32 HH12 ARG 32 -11.224 -10.236 8.150
265 HH21 ARG 32 HH21 ARG 32 -10.193 -7.031 7.165
266 HH22 ARG 32 HH22 ARG 32 -10.908 -7.961 8.418
267 H CYS 33 H CYS 33 -5.311 -8.684 1.120
268 HA CYS 33 HA CYS 33 -4.511 -6.030 1.731
269 HB2 CYS 33 HB2 CYS 33 -3.128 -8.066 -0.052
270 HB3 CYS 33 HB1 CYS 33 -2.406 -6.560 0.489
271 H GLN 34 H GLN 34 -5.537 -7.634 -1.215
272 HA GLN 34 HA GLN 34 -4.982 -5.468 -2.971
273 HB2 GLN 34 HB2 GLN 34 -6.882 -7.796 -3.240
274 HB3 GLN 34 HB1 GLN 34 -6.502 -6.676 -4.540
275 HG2 GLN 34 HG2 GLN 34 -4.197 -7.392 -4.534
276 HG3 GLN 34 HG1 GLN 34 -4.496 -8.425 -3.136
277 HE21 GLN 34 1HE2 GLN 34 -3.541 -9.080 -5.838
278 HE22 GLN 34 2HE2 GLN 34 -4.662 -10.258 -6.428
279 H GLN 35 H GLN 35 -7.758 -6.511 -1.106
280 HA GLN 35 HA GLN 35 -9.610 -4.590 -1.986
281 HB2 GLN 35 HB2 GLN 35 -9.338 -5.748 0.801
282 HB3 GLN 35 HB1 GLN 35 -10.761 -4.928 0.182
283 HG2 GLN 35 HG2 GLN 35 -9.650 -7.568 -0.766
284 HG3 GLN 35 HG1 GLN 35 -11.081 -7.338 0.236
285 HE21 GLN 35 1HE2 GLN 35 -9.756 -7.241 -2.944
286 HE22 GLN 35 2HE2 GLN 35 -11.232 -6.952 -3.768
287 H GLU 36 H GLU 36 -7.190 -4.532 0.615
288 HA GLU 36 HA GLU 36 -7.552 -1.961 1.606
289 HB2 GLU 36 HB2 GLU 36 -5.015 -3.552 1.244
290 HB3 GLU 36 HB1 GLU 36 -5.048 -1.988 2.037
291 HG2 GLU 36 HG2 GLU 36 -6.514 -4.452 2.925
292 HG3 GLU 36 HG1 GLU 36 -5.022 -3.820 3.623
293 H TYR 37 H TYR 37 -5.342 -3.027 -0.939
294 HA TYR 37 HA TYR 37 -4.329 -0.589 -1.661
295 HB2 TYR 37 HB2 TYR 37 -3.252 -2.497 -2.464
296 HB3 TYR 37 HB1 TYR 37 -4.671 -3.153 -3.240
297 HD1 TYR 37 HD1 TYR 37 -4.907 -2.888 -5.499
298 HD2 TYR 37 HD2 TYR 37 -2.407 -0.198 -3.378
299 HE1 TYR 37 HE1 TYR 37 -4.251 -1.881 -7.601
300 HE2 TYR 37 HE2 TYR 37 -1.723 0.849 -5.462
301 HH TYR 37 HH TYR 37 -1.625 0.306 -7.900
302 H GLN 38 H GLN 38 -7.240 -2.119 -2.965
303 HA GLN 38 HA GLN 38 -7.736 -0.034 -4.821
304 HB2 GLN 38 HB2 GLN 38 -9.624 -2.074 -3.662
305 HB3 GLN 38 HB1 GLN 38 -10.052 -0.968 -4.958
306 HG2 GLN 38 HG2 GLN 38 -8.236 -1.945 -6.330
307 HG3 GLN 38 HG1 GLN 38 -7.931 -3.104 -5.040
308 HE21 GLN 38 1HE2 GLN 38 -10.771 -3.406 -4.406
309 HE22 GLN 38 2HE2 GLN 38 -11.465 -4.318 -5.678
310 H ARG 39 H ARG 39 -8.665 -0.502 -1.476
311 HA ARG 39 HA ARG 39 -10.441 1.750 -1.516
312 HB2 ARG 39 HB2 ARG 39 -9.423 0.061 0.768
313 HB3 ARG 39 HB1 ARG 39 -10.557 1.386 0.969
314 HG2 ARG 39 HG2 ARG 39 -11.023 -1.114 -0.645
315 HG3 ARG 39 HG1 ARG 39 -11.703 -0.757 0.941
316 HD2 ARG 39 HD2 ARG 39 -12.795 1.263 -0.079
317 HD3 ARG 39 HD1 ARG 39 -12.230 0.701 -1.647
318 HE ARG 39 HE ARG 39 -13.571 -1.397 -0.509
319 HH11 ARG 39 HH11 ARG 39 -14.355 1.894 -1.610
320 HH12 ARG 39 HH12 ARG 39 -15.992 1.580 -1.893
321 HH21 ARG 39 HH21 ARG 39 -15.903 -1.825 -0.912
322 HH22 ARG 39 HH22 ARG 39 -16.882 -0.557 -1.495
323 H GLU 40 H GLU 40 -7.090 1.281 -0.926
324 HA GLU 40 HA GLU 40 -6.631 3.713 0.508
325 HB2 GLU 40 HB2 GLU 40 -4.760 2.006 -1.142
326 HB3 GLU 40 HB1 GLU 40 -4.248 3.369 -0.164
327 HG2 GLU 40 HG2 GLU 40 -5.600 0.903 0.892
328 HG3 GLU 40 HG1 GLU 40 -3.861 1.176 0.892
329 H LYS 41 H LYS 41 -6.728 2.778 -2.852
330 HA LYS 41 HA LYS 41 -5.998 5.439 -3.705
331 HB2 LYS 41 HB2 LYS 41 -6.938 3.046 -5.299
332 HB3 LYS 41 HB1 LYS 41 -6.383 4.566 -5.993
333 HG2 LYS 41 HG2 LYS 41 -4.190 4.223 -4.922
334 HG3 LYS 41 HG1 LYS 41 -4.753 2.669 -4.321
335 HD2 LYS 41 HD2 LYS 41 -3.405 2.373 -6.321
336 HD3 LYS 41 HD1 LYS 41 -5.073 1.906 -6.633
337 HE2 LYS 41 HE2 LYS 41 -5.492 3.909 -7.839
338 HE3 LYS 41 HE1 LYS 41 -3.977 4.622 -7.281
339 HZ1 LYS 41 HZ1 LYS 41 -4.185 2.246 -9.050
340 HZ2 LYS 41 HZ2 LYS 41 -2.760 3.056 -8.587
341 HZ3 LYS 41 HZ3 LYS 41 -3.899 3.823 -9.586
342 H GLY 42 H GLY 42 -8.843 3.439 -3.403
343 HA2 GLY 42 HA2 GLY 42 -10.876 4.438 -2.716
344 HA3 GLY 42 HA1 GLY 42 -10.451 5.864 -3.655
345 H GLN 43 H GLN 43 -12.782 4.003 -3.698
346 HA GLN 43 HA GLN 43 -12.637 3.301 -6.530
347 HB2 GLN 43 HB2 GLN 43 -14.615 2.437 -4.410
348 HB3 GLN 43 HB1 GLN 43 -14.771 2.050 -6.116
349 HG2 GLN 43 HG2 GLN 43 -12.607 0.851 -5.991
350 HG3 GLN 43 HG1 GLN 43 -12.584 1.156 -4.256
351 HE21 GLN 43 1HE2 GLN 43 -12.640 -1.044 -3.770
352 HE22 GLN 43 2HE2 GLN 43 -14.046 -1.995 -3.996
353 H HIS 44 H HIS 44 -13.008 5.105 -7.527
354 HA HIS 44 HA HIS 44 -15.429 6.622 -6.810
355 HB2 HIS 44 HB2 HIS 44 -14.273 8.684 -7.553
356 HB3 HIS 44 HB1 HIS 44 -13.471 7.923 -6.187
357 HD1 HIS 44 HD1 HIS 44 -12.831 9.205 -9.556
358 HD2 HIS 44 HD2 HIS 44 -11.048 6.521 -6.947
359 HE1 HIS 44 HE1 HIS 44 -10.497 8.825 -10.434
360 H GLN 45 H GLN 45 -13.744 4.962 -9.253
361 HA GLN 45 HA GLN 45 -15.131 6.369 -11.384
362 HB2 GLN 45 HB2 GLN 45 -12.708 5.736 -11.568
363 HB3 GLN 45 HB1 GLN 45 -13.215 4.053 -11.604
364 HG2 GLN 45 HG2 GLN 45 -12.836 4.809 -13.851
365 HG3 GLN 45 HG1 GLN 45 -14.566 4.538 -13.613
366 HE21 GLN 45 1HE2 GLN 45 -15.198 5.951 -15.215
367 HE22 GLN 45 2HE2 GLN 45 -15.006 7.660 -15.095
368 H GLY 46 H GLY 46 -16.906 5.593 -12.345
369 HA2 GLY 46 HA2 GLY 46 -18.145 3.201 -11.381
370 HA3 GLY 46 HA1 GLY 46 -18.767 4.297 -12.610
371 H GLU 47 H GLU 47 -16.144 2.020 -12.142
372 HA GLU 47 HA GLU 47 -16.474 1.139 -14.926
373 HB2 GLU 47 HB2 GLU 47 -14.183 0.188 -14.665
374 HB3 GLU 47 HB1 GLU 47 -14.259 1.936 -14.505
375 HG2 GLU 47 HG2 GLU 47 -14.127 1.755 -12.104
376 HG3 GLU 47 HG1 GLU 47 -14.153 -0.005 -12.216
377 H THR 48 H THR 48 -17.595 0.399 -12.126
378 HA THR 48 HA THR 48 -17.993 -2.380 -12.761
379 HB THR 48 HB THR 48 -16.035 -2.530 -11.308
380 HG1 THR 48 HG1 THR 48 -18.495 -3.276 -10.194
381 HG21 THR 48 HG21 THR 48 -16.176 -0.380 -10.190
382 HG22 THR 48 HG22 THR 48 -16.064 -1.667 -8.987
383 HG23 THR 48 HG23 THR 48 -17.618 -0.898 -9.322
384 H ASN 49 H ASN 49 -19.402 0.206 -12.687
385 HA ASN 49 HA ASN 49 -21.742 -0.631 -11.434
386 HB2 ASN 49 HB2 ASN 49 -22.053 1.373 -9.940
387 HB3 ASN 49 HB1 ASN 49 -20.814 0.267 -9.376
388 HD21 ASN 49 HD21 ASN 49 -18.710 0.971 -9.306
389 HD22 ASN 49 HD22 ASN 49 -18.266 2.629 -9.491
Start of MODEL 19
1 H1 ARG 1 HT1 ARG 1 9.636 5.165 -13.426
2 H2 ARG 1 HT2 ARG 1 8.182 4.498 -13.895
3 H3 ARG 1 HT3 ARG 1 9.455 4.534 -14.988
4 HA ARG 1 HA ARG 1 9.095 2.337 -14.078
5 HB2 ARG 1 HB2 ARG 1 11.362 1.877 -13.253
6 HB3 ARG 1 HB1 ARG 1 11.396 2.950 -14.644
7 HG2 ARG 1 HG2 ARG 1 11.787 4.852 -13.207
8 HG3 ARG 1 HG1 ARG 1 11.655 3.827 -11.776
9 HD2 ARG 1 HD2 ARG 1 13.608 2.567 -12.498
10 HD3 ARG 1 HD1 ARG 1 13.731 3.556 -13.949
11 HE ARG 1 HE ARG 1 13.734 5.093 -11.562
12 HH11 ARG 1 HH11 ARG 1 15.804 3.185 -13.716
13 HH12 ARG 1 HH12 ARG 1 17.244 3.978 -13.239
14 HH21 ARG 1 HH21 ARG 1 15.758 6.174 -10.932
15 HH22 ARG 1 HH22 ARG 1 17.211 5.657 -11.656
16 H GLY 2 H GLY 2 9.091 0.954 -12.256
17 HA2 GLY 2 HA2 GLY 2 9.124 0.595 -9.916
18 HA3 GLY 2 HA1 GLY 2 8.742 2.299 -9.682
19 HA PRO 3 HA PRO 3 4.794 -0.317 -10.060
20 HB2 PRO 3 HB2 PRO 3 4.371 -1.142 -7.515
21 HB3 PRO 3 HB1 PRO 3 5.277 -2.120 -8.681
22 HG2 PRO 3 HG2 PRO 3 6.282 -0.357 -6.487
23 HG3 PRO 3 HG1 PRO 3 6.864 -1.949 -6.993
24 HD2 PRO 3 HD2 PRO 3 8.079 0.388 -7.710
25 HD3 PRO 3 HD1 PRO 3 8.132 -1.084 -8.698
26 H ASP 4 H ASP 4 2.741 0.405 -9.179
27 HA ASP 4 HA ASP 4 2.764 3.141 -8.320
28 HB2 ASP 4 HB2 ASP 4 0.966 2.214 -9.833
29 HB3 ASP 4 HB1 ASP 4 0.432 1.225 -8.468
30 H LYS 5 H LYS 5 1.445 3.752 -6.527
31 HA LYS 5 HA LYS 5 2.302 3.184 -3.953
32 HB2 LYS 5 HB2 LYS 5 -0.591 3.747 -4.500
33 HB3 LYS 5 HB1 LYS 5 0.384 4.309 -3.158
34 HG2 LYS 5 HG2 LYS 5 1.513 5.896 -4.602
35 HG3 LYS 5 HG1 LYS 5 0.655 5.265 -6.009
36 HD2 LYS 5 HD2 LYS 5 -0.590 6.657 -3.637
37 HD3 LYS 5 HD1 LYS 5 -0.382 7.323 -5.252
38 HE2 LYS 5 HE2 LYS 5 -2.157 4.978 -4.485
39 HE3 LYS 5 HE1 LYS 5 -2.683 6.594 -4.901
40 HZ1 LYS 5 HZ1 LYS 5 -1.374 4.655 -6.771
41 HZ2 LYS 5 HZ2 LYS 5 -1.769 6.250 -7.152
42 HZ3 LYS 5 HZ3 LYS 5 -2.975 5.162 -6.778
43 H SER 6 H SER 6 -0.466 1.999 -5.708
44 HA SER 6 HA SER 6 -1.650 0.370 -3.822
45 HB2 SER 6 HB2 SER 6 -1.789 0.053 -6.796
46 HB3 SER 6 HB1 SER 6 -3.056 -0.226 -5.597
47 HG SER 6 HG SER 6 -2.073 2.179 -6.630
48 H TYR 7 H TYR 7 0.623 -0.466 -6.484
49 HA TYR 7 HA TYR 7 0.408 -3.241 -5.783
50 HB2 TYR 7 HB2 TYR 7 0.870 -2.480 -8.145
51 HB3 TYR 7 HB1 TYR 7 2.478 -2.003 -7.617
52 HD1 TYR 7 HD1 TYR 7 4.209 -3.628 -7.327
53 HD2 TYR 7 HD2 TYR 7 0.219 -4.891 -8.074
54 HE1 TYR 7 HE1 TYR 7 5.004 -5.932 -7.670
55 HE2 TYR 7 HE2 TYR 7 1.005 -7.196 -8.418
56 HH TYR 7 HH TYR 7 3.025 -8.398 -8.972
57 H LYS 8 H LYS 8 2.449 -0.608 -5.027
58 HA LYS 8 HA LYS 8 4.651 -1.938 -3.931
59 HB2 LYS 8 HB2 LYS 8 4.590 0.459 -4.496
60 HB3 LYS 8 HB1 LYS 8 3.409 0.727 -3.228
61 HG2 LYS 8 HG2 LYS 8 5.062 0.143 -1.551
62 HG3 LYS 8 HG1 LYS 8 6.239 -0.190 -2.823
63 HD2 LYS 8 HD2 LYS 8 6.654 2.012 -1.902
64 HD3 LYS 8 HD1 LYS 8 6.072 2.173 -3.556
65 HE2 LYS 8 HE2 LYS 8 3.837 2.716 -2.688
66 HE3 LYS 8 HE1 LYS 8 4.439 2.541 -1.040
67 HZ1 LYS 8 HZ1 LYS 8 4.401 4.862 -1.679
68 HZ2 LYS 8 HZ2 LYS 8 5.325 4.545 -3.039
69 HZ3 LYS 8 HZ3 LYS 8 6.010 4.369 -1.508
70 H ARG 9 H ARG 9 1.735 -0.582 -2.404
71 HA ARG 9 HA ARG 9 2.265 -1.614 0.178
72 HB2 ARG 9 HB2 ARG 9 -0.041 -0.926 0.726
73 HB3 ARG 9 HB1 ARG 9 0.760 0.317 -0.222
74 HG2 ARG 9 HG2 ARG 9 -0.355 -0.601 -2.240
75 HG3 ARG 9 HG1 ARG 9 -1.286 -1.652 -1.185
76 HD2 ARG 9 HD2 ARG 9 -1.226 1.343 -0.980
77 HD3 ARG 9 HD1 ARG 9 -2.426 0.448 -1.896
78 HE ARG 9 HE ARG 9 -2.553 -0.606 0.602
79 HH11 ARG 9 HH11 ARG 9 -2.570 2.699 -0.642
80 HH12 ARG 9 HH12 ARG 9 -3.848 3.246 0.339
81 HH21 ARG 9 HH21 ARG 9 -4.442 0.214 2.047
82 HH22 ARG 9 HH22 ARG 9 -4.949 1.815 1.757
83 H LEU 10 H LEU 10 0.535 -2.838 -2.605
84 HA LEU 10 HA LEU 10 -0.683 -5.034 -1.379
85 HB2 LEU 10 HB2 LEU 10 -1.466 -4.344 -3.513
86 HB3 LEU 10 HB1 LEU 10 0.119 -4.548 -4.224
87 HG LEU 10 HG LEU 10 -0.033 -6.948 -3.985
88 HD11 LEU 10 HD11 LEU 10 -2.788 -6.461 -2.856
89 HD12 LEU 10 HD12 LEU 10 -1.385 -7.129 -2.011
90 HD13 LEU 10 HD13 LEU 10 -2.136 -8.036 -3.321
91 HD21 LEU 10 HD21 LEU 10 -0.823 -5.960 -6.043
92 HD22 LEU 10 HD22 LEU 10 -2.434 -5.751 -5.356
93 HD23 LEU 10 HD23 LEU 10 -1.798 -7.373 -5.638
94 H GLN 11 H GLN 11 2.410 -4.800 -3.126
95 HA GLN 11 HA GLN 11 2.923 -7.532 -2.942
96 HB2 GLN 11 HB2 GLN 11 5.225 -7.075 -3.590
97 HB3 GLN 11 HB1 GLN 11 4.104 -6.153 -4.568
98 HG2 GLN 11 HG2 GLN 11 4.601 -4.173 -3.157
99 HG3 GLN 11 HG1 GLN 11 5.823 -5.132 -2.323
100 HE21 GLN 11 1HE2 GLN 11 4.919 -3.629 -5.263
101 HE22 GLN 11 2HE2 GLN 11 6.472 -3.720 -6.033
102 H GLU 12 H GLU 12 3.981 -4.910 -0.784
103 HA GLU 12 HA GLU 12 5.430 -6.625 0.903
104 HB2 GLU 12 HB2 GLU 12 4.067 -3.998 1.523
105 HB3 GLU 12 HB1 GLU 12 5.124 -4.842 2.647
106 HG2 GLU 12 HG2 GLU 12 6.960 -4.658 0.991
107 HG3 GLU 12 HG1 GLU 12 5.885 -3.725 -0.043
108 H CYS 13 H CYS 13 2.052 -5.668 0.936
109 HA CYS 13 HA CYS 13 1.384 -6.949 3.345
110 HB2 CYS 13 HB2 CYS 13 0.035 -5.167 2.280
111 HB3 CYS 13 HB1 CYS 13 -0.415 -6.295 1.013
112 H GLN 14 H GLN 14 0.983 -8.081 -0.044
113 HA GLN 14 HA GLN 14 -0.131 -10.580 0.764
114 HB2 GLN 14 HB2 GLN 14 0.189 -11.342 -1.539
115 HB3 GLN 14 HB1 GLN 14 -0.583 -9.766 -1.484
116 HG2 GLN 14 HG2 GLN 14 1.311 -8.680 -2.243
117 HG3 GLN 14 HG1 GLN 14 2.369 -10.051 -1.885
118 HE21 GLN 14 1HE2 GLN 14 0.054 -8.718 -4.096
119 HE22 GLN 14 2HE2 GLN 14 0.368 -9.838 -5.369
120 H ARG 15 H ARG 15 3.179 -9.526 0.226
121 HA ARG 15 HA ARG 15 4.183 -12.159 0.195
122 HB2 ARG 15 HB2 ARG 15 5.537 -9.530 0.590
123 HB3 ARG 15 HB1 ARG 15 6.408 -11.069 0.592
124 HG2 ARG 15 HG2 ARG 15 5.556 -11.577 -1.606
125 HG3 ARG 15 HG1 ARG 15 4.656 -10.063 -1.612
126 HD2 ARG 15 HD2 ARG 15 6.718 -8.859 -1.371
127 HD3 ARG 15 HD1 ARG 15 7.570 -10.421 -1.391
128 HE ARG 15 HE ARG 15 6.392 -10.677 -3.632
129 HH11 ARG 15 HH11 ARG 15 7.638 -7.581 -2.447
130 HH12 ARG 15 HH12 ARG 15 7.951 -6.952 -3.988
131 HH21 ARG 15 HH21 ARG 15 6.894 -9.819 -5.762
132 HH22 ARG 15 HH22 ARG 15 7.571 -8.253 -5.900
133 H ARG 16 H ARG 16 3.412 -9.960 2.755
134 HA ARG 16 HA ARG 16 4.590 -11.602 4.746
135 HB2 ARG 16 HB2 ARG 16 2.337 -9.620 4.909
136 HB3 ARG 16 HB1 ARG 16 2.915 -10.527 6.294
137 HG2 ARG 16 HG2 ARG 16 5.164 -9.521 5.880
138 HG3 ARG 16 HG1 ARG 16 4.386 -8.474 4.685
139 HD2 ARG 16 HD2 ARG 16 4.565 -7.387 6.863
140 HD3 ARG 16 HD1 ARG 16 2.877 -7.624 6.391
141 HE ARG 16 HE ARG 16 3.369 -9.813 7.881
142 HH11 ARG 16 HH11 ARG 16 3.750 -6.362 8.550
143 HH12 ARG 16 HH12 ARG 16 3.722 -6.554 10.239
144 HH21 ARG 16 HH21 ARG 16 3.361 -10.097 10.122
145 HH22 ARG 16 HH22 ARG 16 3.496 -8.769 11.186
146 H CYS 17 H CYS 17 1.399 -11.352 3.373
147 HA CYS 17 HA CYS 17 0.130 -13.347 4.793
148 HB2 CYS 17 HB2 CYS 17 -0.196 -12.623 1.893
149 HB3 CYS 17 HB1 CYS 17 -1.319 -13.613 2.809
150 H GLN 18 H GLN 18 2.206 -13.658 1.948
151 HA GLN 18 HA GLN 18 1.755 -16.441 1.555
152 HB2 GLN 18 HB2 GLN 18 4.050 -14.713 0.634
153 HB3 GLN 18 HB1 GLN 18 3.688 -16.328 0.035
154 HG2 GLN 18 HG2 GLN 18 1.501 -15.502 -0.736
155 HG3 GLN 18 HG1 GLN 18 1.943 -13.904 -0.195
156 HE21 GLN 18 1HE2 GLN 18 3.412 -12.719 -1.317
157 HE22 GLN 18 2HE2 GLN 18 3.953 -13.099 -2.907
158 H SER 19 H SER 19 3.645 -14.755 3.783
159 HA SER 19 HA SER 19 5.374 -17.046 4.276
160 HB2 SER 19 HB2 SER 19 5.473 -14.244 5.409
161 HB3 SER 19 HB1 SER 19 6.703 -15.497 5.607
162 HG SER 19 HG SER 19 6.049 -13.960 3.345
163 H GLU 20 H GLU 20 3.242 -14.790 6.057
164 HA GLU 20 HA GLU 20 3.347 -16.310 8.471
165 HB2 GLU 20 HB2 GLU 20 1.565 -14.010 7.687
166 HB3 GLU 20 HB1 GLU 20 1.842 -14.601 9.319
167 HG2 GLU 20 HG2 GLU 20 4.184 -13.961 9.169
168 HG3 GLU 20 HG1 GLU 20 3.940 -13.424 7.517
169 H GLN 21 H GLN 21 1.225 -16.262 5.676
170 HA GLN 21 HA GLN 21 -0.578 -18.064 7.119
171 HB2 GLN 21 HB2 GLN 21 -1.300 -16.141 4.893
172 HB3 GLN 21 HB1 GLN 21 -2.394 -17.280 5.653
173 HG2 GLN 21 HG2 GLN 21 -1.096 -14.890 6.941
174 HG3 GLN 21 HG1 GLN 21 -2.786 -15.046 6.470
175 HE21 GLN 21 1HE2 GLN 21 -1.673 -14.459 9.040
176 HE22 GLN 21 2HE2 GLN 21 -2.250 -15.679 10.118
177 H GLN 22 H GLN 22 -1.849 -19.377 5.387
178 HA GLN 22 HA GLN 22 -0.589 -19.838 2.904
179 HB2 GLN 22 HB2 GLN 22 -0.024 -22.175 3.313
180 HB3 GLN 22 HB1 GLN 22 0.982 -21.105 4.269
181 HG2 GLN 22 HG2 GLN 22 -0.533 -21.595 6.211
182 HG3 GLN 22 HG1 GLN 22 -1.339 -22.788 5.193
183 HE21 GLN 22 1HE2 GLN 22 1.242 -23.500 3.877
184 HE22 GLN 22 2HE2 GLN 22 2.084 -24.442 5.031
185 H GLY 23 H GLY 23 -1.704 -21.731 1.883
186 HA2 GLY 23 HA2 GLY 23 -3.623 -22.800 1.240
187 HA3 GLY 23 HA1 GLY 23 -4.054 -22.837 2.940
188 H GLN 24 H GLN 24 -6.063 -22.203 3.057
189 HA GLN 24 HA GLN 24 -7.300 -20.371 1.267
190 HB2 GLN 24 HB2 GLN 24 -8.550 -22.187 2.378
191 HB3 GLN 24 HB1 GLN 24 -8.247 -21.441 3.936
192 HG2 GLN 24 HG2 GLN 24 -10.509 -20.992 3.182
193 HG3 GLN 24 HG1 GLN 24 -9.575 -19.502 3.278
194 HE21 GLN 24 1HE2 GLN 24 -11.095 -21.785 1.160
195 HE22 GLN 24 2HE2 GLN 24 -10.993 -20.806 -0.265
196 H ARG 25 H ARG 25 -5.938 -20.226 4.466
197 HA ARG 25 HA ARG 25 -6.769 -17.669 5.239
198 HB2 ARG 25 HB2 ARG 25 -4.264 -19.150 5.918
199 HB3 ARG 25 HB1 ARG 25 -4.791 -17.667 6.706
200 HG2 ARG 25 HG2 ARG 25 -6.860 -18.789 7.377
201 HG3 ARG 25 HG1 ARG 25 -6.262 -20.278 6.649
202 HD2 ARG 25 HD2 ARG 25 -4.348 -20.220 8.087
203 HD3 ARG 25 HD1 ARG 25 -4.948 -18.704 8.785
204 HE ARG 25 HE ARG 25 -7.001 -20.264 9.219
205 HH11 ARG 25 HH11 ARG 25 -3.573 -21.041 9.695
206 HH12 ARG 25 HH12 ARG 25 -3.845 -22.042 11.046
207 HH21 ARG 25 HH21 ARG 25 -7.372 -21.655 11.067
208 HH22 ARG 25 HH22 ARG 25 -6.021 -22.406 11.819
209 H LEU 26 H LEU 26 -4.129 -18.749 3.281
210 HA LEU 26 HA LEU 26 -2.867 -16.238 3.001
211 HB2 LEU 26 HB2 LEU 26 -1.598 -18.055 2.458
212 HB3 LEU 26 HB1 LEU 26 -2.793 -18.755 1.370
213 HG LEU 26 HG LEU 26 -2.284 -16.971 -0.251
214 HD11 LEU 26 HD11 LEU 26 -0.239 -16.118 1.783
215 HD12 LEU 26 HD12 LEU 26 -1.659 -15.213 1.261
216 HD13 LEU 26 HD13 LEU 26 -0.348 -15.517 0.125
217 HD21 LEU 26 HD21 LEU 26 -1.075 -19.051 -0.390
218 HD22 LEU 26 HD22 LEU 26 0.122 -18.455 0.760
219 HD23 LEU 26 HD23 LEU 26 -0.026 -17.702 -0.827
220 H GLN 27 H GLN 27 -5.292 -17.921 1.088
221 HA GLN 27 HA GLN 27 -5.502 -16.012 -0.957
222 HB2 GLN 27 HB2 GLN 27 -7.670 -17.841 0.087
223 HB3 GLN 27 HB1 GLN 27 -7.686 -17.005 -1.457
224 HG2 GLN 27 HG2 GLN 27 -5.846 -19.219 -0.595
225 HG3 GLN 27 HG1 GLN 27 -7.101 -19.287 -1.832
226 HE21 GLN 27 1HE2 GLN 27 -6.744 -18.199 -3.793
227 HE22 GLN 27 2HE2 GLN 27 -5.145 -17.772 -4.299
228 H GLU 28 H GLU 28 -7.229 -16.372 2.081
229 HA GLU 28 HA GLU 28 -8.971 -14.187 1.840
230 HB2 GLU 28 HB2 GLU 28 -7.719 -15.361 4.328
231 HB3 GLU 28 HB1 GLU 28 -9.136 -14.326 4.291
232 HG2 GLU 28 HG2 GLU 28 -10.384 -16.018 3.100
233 HG3 GLU 28 HG1 GLU 28 -8.951 -17.039 3.002
234 H CYS 29 H CYS 29 -5.774 -14.472 3.339
235 HA CYS 29 HA CYS 29 -5.565 -11.859 4.284
236 HB2 CYS 29 HB2 CYS 29 -4.137 -13.783 4.986
237 HB3 CYS 29 HB1 CYS 29 -3.298 -13.672 3.452
238 H GLN 30 H GLN 30 -4.175 -13.261 1.287
239 HA GLN 30 HA GLN 30 -3.106 -10.786 0.457
240 HB2 GLN 30 HB2 GLN 30 -2.819 -11.776 -1.798
241 HB3 GLN 30 HB1 GLN 30 -2.160 -12.763 -0.508
242 HG2 GLN 30 HG2 GLN 30 -4.061 -14.242 -0.633
243 HG3 GLN 30 HG1 GLN 30 -4.799 -13.219 -1.867
244 HE21 GLN 30 1HE2 GLN 30 -2.193 -15.358 -1.151
245 HE22 GLN 30 2HE2 GLN 30 -1.777 -15.768 -2.768
246 H GLN 31 H GLN 31 -6.282 -12.148 -0.029
247 HA GLN 31 HA GLN 31 -7.073 -10.321 -2.021
248 HB2 GLN 31 HB2 GLN 31 -8.351 -12.320 -1.620
249 HB3 GLN 31 HB1 GLN 31 -8.737 -11.805 0.015
250 HG2 GLN 31 HG2 GLN 31 -10.670 -11.490 -1.381
251 HG3 GLN 31 HG1 GLN 31 -10.029 -9.918 -0.933
252 HE21 GLN 31 1HE2 GLN 31 -11.750 -10.699 -3.112
253 HE22 GLN 31 2HE2 GLN 31 -10.982 -10.193 -4.572
254 H ARG 32 H ARG 32 -7.010 -10.119 1.498
255 HA ARG 32 HA ARG 32 -8.464 -7.681 1.647
256 HB2 ARG 32 HB2 ARG 32 -6.413 -8.772 3.586
257 HB3 ARG 32 HB1 ARG 32 -7.530 -7.458 3.917
258 HG2 ARG 32 HG2 ARG 32 -8.243 -10.334 3.391
259 HG3 ARG 32 HG1 ARG 32 -8.314 -9.492 4.936
260 HD2 ARG 32 HD2 ARG 32 -9.973 -8.856 2.488
261 HD3 ARG 32 HD1 ARG 32 -10.528 -9.714 3.917
262 HE ARG 32 HE ARG 32 -9.616 -7.385 4.907
263 HH11 ARG 32 HH11 ARG 32 -11.989 -8.195 2.375
264 HH12 ARG 32 HH12 ARG 32 -12.960 -6.834 2.643
265 HH21 ARG 32 HH21 ARG 32 -10.959 -5.484 5.243
266 HH22 ARG 32 HH22 ARG 32 -12.352 -5.234 4.299
267 H CYS 33 H CYS 33 -5.141 -8.483 1.125
268 HA CYS 33 HA CYS 33 -4.119 -5.831 1.242
269 HB2 CYS 33 HB2 CYS 33 -3.070 -8.207 -0.302
270 HB3 CYS 33 HB1 CYS 33 -2.162 -6.763 0.131
271 H GLN 34 H GLN 34 -5.491 -7.866 -1.263
272 HA GLN 34 HA GLN 34 -5.038 -6.099 -3.413
273 HB2 GLN 34 HB2 GLN 34 -6.937 -8.385 -3.024
274 HB3 GLN 34 HB1 GLN 34 -6.851 -7.467 -4.516
275 HG2 GLN 34 HG2 GLN 34 -4.535 -8.115 -4.820
276 HG3 GLN 34 HG1 GLN 34 -4.542 -8.941 -3.264
277 HE21 GLN 34 1HE2 GLN 34 -5.707 -9.009 -6.539
278 HE22 GLN 34 2HE2 GLN 34 -6.161 -10.678 -6.527
279 H GLN 35 H GLN 35 -7.583 -6.412 -1.062
280 HA GLN 35 HA GLN 35 -9.459 -4.647 -2.212
281 HB2 GLN 35 HB2 GLN 35 -8.851 -4.940 0.746
282 HB3 GLN 35 HB1 GLN 35 -10.315 -4.252 0.065
283 HG2 GLN 35 HG2 GLN 35 -9.413 -7.119 -0.063
284 HG3 GLN 35 HG1 GLN 35 -10.754 -6.471 0.884
285 HE21 GLN 35 1HE2 GLN 35 -9.636 -7.466 -2.182
286 HE22 GLN 35 2HE2 GLN 35 -11.145 -7.387 -3.015
287 H GLU 36 H GLU 36 -6.736 -4.101 -0.059
288 HA GLU 36 HA GLU 36 -6.809 -1.322 0.176
289 HB2 GLU 36 HB2 GLU 36 -4.516 -3.251 0.134
290 HB3 GLU 36 HB1 GLU 36 -4.345 -1.559 0.558
291 HG2 GLU 36 HG2 GLU 36 -6.143 -3.502 1.986
292 HG3 GLU 36 HG1 GLU 36 -4.497 -3.137 2.497
293 H TYR 37 H TYR 37 -5.148 -3.367 -2.121
294 HA TYR 37 HA TYR 37 -3.900 -1.528 -3.792
295 HB2 TYR 37 HB2 TYR 37 -3.544 -3.938 -4.011
296 HB3 TYR 37 HB1 TYR 37 -5.211 -4.158 -4.523
297 HD1 TYR 37 HD1 TYR 37 -1.918 -2.965 -5.512
298 HD2 TYR 37 HD2 TYR 37 -5.895 -3.616 -6.801
299 HE1 TYR 37 HE1 TYR 37 -1.203 -2.661 -7.842
300 HE2 TYR 37 HE2 TYR 37 -5.207 -3.313 -9.133
301 HH TYR 37 HH TYR 37 -3.344 -2.135 -10.339
302 H GLN 38 H GLN 38 -7.149 -2.916 -4.140
303 HA GLN 38 HA GLN 38 -7.737 -1.406 -6.462
304 HB2 GLN 38 HB2 GLN 38 -9.591 -2.921 -4.631
305 HB3 GLN 38 HB1 GLN 38 -10.056 -2.240 -6.181
306 HG2 GLN 38 HG2 GLN 38 -7.964 -4.378 -5.778
307 HG3 GLN 38 HG1 GLN 38 -9.631 -4.673 -6.252
308 HE21 GLN 38 1HE2 GLN 38 -9.009 -5.636 -8.175
309 HE22 GLN 38 2HE2 GLN 38 -8.365 -4.739 -9.502
310 H ARG 39 H ARG 39 -8.551 -0.918 -3.073
311 HA ARG 39 HA ARG 39 -10.433 1.109 -3.527
312 HB2 ARG 39 HB2 ARG 39 -10.205 1.703 -1.151
313 HB3 ARG 39 HB1 ARG 39 -10.367 -0.026 -1.397
314 HG2 ARG 39 HG2 ARG 39 -7.975 -0.292 -1.131
315 HG3 ARG 39 HG1 ARG 39 -7.789 1.423 -0.843
316 HD2 ARG 39 HD2 ARG 39 -9.368 -0.516 0.835
317 HD3 ARG 39 HD1 ARG 39 -7.787 0.140 1.231
318 HE ARG 39 HE ARG 39 -9.752 2.155 0.808
319 HH11 ARG 39 HH11 ARG 39 -8.260 -0.016 3.166
320 HH12 ARG 39 HH12 ARG 39 -8.892 0.804 4.527
321 HH21 ARG 39 HH21 ARG 39 -10.591 3.294 2.679
322 HH22 ARG 39 HH22 ARG 39 -10.241 2.741 4.247
323 H GLU 40 H GLU 40 -6.954 1.479 -2.801
324 HA GLU 40 HA GLU 40 -7.289 4.370 -3.189
325 HB2 GLU 40 HB2 GLU 40 -5.255 2.756 -1.673
326 HB3 GLU 40 HB1 GLU 40 -5.095 4.482 -1.956
327 HG2 GLU 40 HG2 GLU 40 -7.035 4.962 -0.694
328 HG3 GLU 40 HG1 GLU 40 -7.482 3.264 -0.606
329 H LYS 41 H LYS 41 -6.915 2.343 -5.318
330 HA LYS 41 HA LYS 41 -4.260 2.735 -6.254
331 HB2 LYS 41 HB2 LYS 41 -4.949 1.724 -8.387
332 HB3 LYS 41 HB1 LYS 41 -5.371 0.758 -6.991
333 HG2 LYS 41 HG2 LYS 41 -7.694 1.518 -7.185
334 HG3 LYS 41 HG1 LYS 41 -7.250 2.459 -8.616
335 HD2 LYS 41 HD2 LYS 41 -6.534 0.452 -9.753
336 HD3 LYS 41 HD1 LYS 41 -6.872 -0.515 -8.321
337 HE2 LYS 41 HE2 LYS 41 -9.251 0.072 -8.522
338 HE3 LYS 41 HE1 LYS 41 -8.886 0.996 -9.982
339 HZ1 LYS 41 HZ1 LYS 41 -8.375 -1.890 -9.605
340 HZ2 LYS 41 HZ2 LYS 41 -8.076 -1.037 -11.017
341 HZ3 LYS 41 HZ3 LYS 41 -9.672 -1.269 -10.489
342 H GLY 42 H GLY 42 -7.189 4.492 -6.835
343 HA2 GLY 42 HA2 GLY 42 -5.778 6.129 -8.818
344 HA3 GLY 42 HA1 GLY 42 -7.522 6.080 -8.592
345 H GLN 43 H GLN 43 -8.120 6.677 -6.266
346 HA GLN 43 HA GLN 43 -7.181 9.393 -5.902
347 HB2 GLN 43 HB2 GLN 43 -9.255 7.790 -4.390
348 HB3 GLN 43 HB1 GLN 43 -8.979 9.515 -4.228
349 HG2 GLN 43 HG2 GLN 43 -9.799 8.204 -6.798
350 HG3 GLN 43 HG1 GLN 43 -10.945 8.851 -5.630
351 HE21 GLN 43 1HE2 GLN 43 -11.716 10.307 -7.102
352 HE22 GLN 43 2HE2 GLN 43 -10.843 11.706 -7.589
353 H HIS 44 H HIS 44 -6.314 10.154 -3.886
354 HA HIS 44 HA HIS 44 -4.473 8.299 -2.735
355 HB2 HIS 44 HB2 HIS 44 -3.909 10.711 -3.001
356 HB3 HIS 44 HB1 HIS 44 -5.134 11.111 -1.804
357 HD1 HIS 44 HD1 HIS 44 -4.119 11.534 0.455
358 HD2 HIS 44 HD2 HIS 44 -1.925 8.782 -1.750
359 HE1 HIS 44 HE1 HIS 44 -2.156 10.899 1.891
360 H GLN 45 H GLN 45 -7.560 9.629 -1.784
361 HA GLN 45 HA GLN 45 -7.499 8.256 0.782
362 HB2 GLN 45 HB2 GLN 45 -9.730 9.706 -0.625
363 HB3 GLN 45 HB1 GLN 45 -9.766 9.102 1.017
364 HG2 GLN 45 HG2 GLN 45 -7.970 10.675 1.592
365 HG3 GLN 45 HG1 GLN 45 -8.046 11.318 -0.050
366 HE21 GLN 45 1HE2 GLN 45 -9.670 11.046 2.975
367 HE22 GLN 45 2HE2 GLN 45 -10.856 12.259 2.696
368 H GLY 46 H GLY 46 -7.962 7.480 -2.348
369 HA2 GLY 46 HA2 GLY 46 -8.930 5.792 -3.505
370 HA3 GLY 46 HA1 GLY 46 -9.149 4.978 -1.960
371 H GLU 47 H GLU 47 -11.166 4.225 -2.449
372 HA GLU 47 HA GLU 47 -13.244 6.153 -2.985
373 HB2 GLU 47 HB2 GLU 47 -13.270 3.144 -2.772
374 HB3 GLU 47 HB1 GLU 47 -14.733 4.100 -2.973
375 HG2 GLU 47 HG2 GLU 47 -12.405 4.075 -4.875
376 HG3 GLU 47 HG1 GLU 47 -13.905 3.171 -5.088
377 H THR 48 H THR 48 -12.789 7.219 -1.070
378 HA THR 48 HA THR 48 -13.267 5.935 1.424
379 HB THR 48 HB THR 48 -11.563 7.610 1.425
380 HG1 THR 48 HG1 THR 48 -13.032 9.309 2.769
381 HG21 THR 48 HG21 THR 48 -13.632 9.596 0.462
382 HG22 THR 48 HG22 THR 48 -12.277 8.970 -0.478
383 HG23 THR 48 HG23 THR 48 -11.977 9.996 0.925
384 H ASN 49 H ASN 49 -15.328 5.171 1.043
385 HA ASN 49 HA ASN 49 -17.336 7.050 1.936
386 HB2 ASN 49 HB2 ASN 49 -17.436 7.013 -0.595
387 HB3 ASN 49 HB1 ASN 49 -17.833 5.302 -0.487
388 HD21 ASN 49 HD21 ASN 49 -19.374 7.489 -1.567
389 HD22 ASN 49 HD22 ASN 49 -20.860 7.515 -0.703
Start of MODEL 20
1 H1 ARG 1 HT1 ARG 1 11.755 8.606 -11.115
2 H2 ARG 1 HT2 ARG 1 10.360 8.801 -12.018
3 H3 ARG 1 HT3 ARG 1 11.694 8.040 -12.716
4 HA ARG 1 HA ARG 1 9.987 6.453 -12.080
5 HB2 ARG 1 HB2 ARG 1 12.401 6.379 -10.254
6 HB3 ARG 1 HB1 ARG 1 11.287 5.047 -10.479
7 HG2 ARG 1 HG2 ARG 1 11.922 4.947 -12.848
8 HG3 ARG 1 HG1 ARG 1 13.078 6.251 -12.566
9 HD2 ARG 1 HD2 ARG 1 14.251 4.888 -10.943
10 HD3 ARG 1 HD1 ARG 1 13.084 3.587 -11.165
11 HE ARG 1 HE ARG 1 13.931 3.841 -13.618
12 HH11 ARG 1 HH11 ARG 1 15.831 3.856 -10.637
13 HH12 ARG 1 HH12 ARG 1 17.241 3.209 -11.334
14 HH21 ARG 1 HH21 ARG 1 15.864 2.934 -14.592
15 HH22 ARG 1 HH22 ARG 1 17.244 2.629 -13.656
16 H GLY 2 H GLY 2 8.573 5.643 -10.518
17 HA2 GLY 2 HA2 GLY 2 8.541 6.354 -7.856
18 HA3 GLY 2 HA1 GLY 2 7.564 7.533 -8.723
19 HA PRO 3 HA PRO 3 5.357 3.346 -8.901
20 HB2 PRO 3 HB2 PRO 3 5.604 1.802 -6.716
21 HB3 PRO 3 HB1 PRO 3 6.777 1.712 -8.037
22 HG2 PRO 3 HG2 PRO 3 7.003 3.076 -5.392
23 HG3 PRO 3 HG1 PRO 3 8.234 2.189 -6.307
24 HD2 PRO 3 HD2 PRO 3 7.989 4.951 -6.246
25 HD3 PRO 3 HD1 PRO 3 8.820 4.029 -7.513
26 H ASP 4 H ASP 4 3.589 2.436 -7.300
27 HA ASP 4 HA ASP 4 2.329 4.762 -6.108
28 HB2 ASP 4 HB2 ASP 4 1.319 1.927 -6.434
29 HB3 ASP 4 HB1 ASP 4 0.393 3.279 -5.807
30 H LYS 5 H LYS 5 2.212 5.045 -3.974
31 HA LYS 5 HA LYS 5 3.828 3.512 -2.231
32 HB2 LYS 5 HB2 LYS 5 2.830 4.794 -0.371
33 HB3 LYS 5 HB1 LYS 5 3.336 5.845 -1.680
34 HG2 LYS 5 HG2 LYS 5 0.958 5.967 -2.419
35 HG3 LYS 5 HG1 LYS 5 0.514 5.010 -1.008
36 HD2 LYS 5 HD2 LYS 5 1.905 7.696 -0.921
37 HD3 LYS 5 HD1 LYS 5 0.184 7.452 -0.672
38 HE2 LYS 5 HE2 LYS 5 2.392 6.304 1.053
39 HE3 LYS 5 HE1 LYS 5 1.423 7.716 1.442
40 HZ1 LYS 5 HZ1 LYS 5 0.618 5.740 2.574
41 HZ2 LYS 5 HZ2 LYS 5 0.364 4.943 1.129
42 HZ3 LYS 5 HZ3 LYS 5 -0.550 6.302 1.511
43 H SER 6 H SER 6 0.460 3.421 -2.992
44 HA SER 6 HA SER 6 -0.322 1.597 -0.987
45 HB2 SER 6 HB2 SER 6 -1.649 2.082 -3.627
46 HB3 SER 6 HB1 SER 6 -2.395 1.703 -2.068
47 HG SER 6 HG SER 6 -2.244 3.722 -1.472
48 H TYR 7 H TYR 7 0.884 1.284 -4.312
49 HA TYR 7 HA TYR 7 0.216 -1.506 -4.437
50 HB2 TYR 7 HB2 TYR 7 0.442 -0.033 -6.502
51 HB3 TYR 7 HB1 TYR 7 2.180 -0.052 -6.221
52 HD1 TYR 7 HD1 TYR 7 3.501 -1.939 -6.839
53 HD2 TYR 7 HD2 TYR 7 -0.736 -2.145 -7.094
54 HE1 TYR 7 HE1 TYR 7 3.681 -4.043 -8.100
55 HE2 TYR 7 HE2 TYR 7 -0.567 -4.251 -8.358
56 HH TYR 7 HH TYR 7 2.459 -5.934 -8.670
57 H LYS 8 H LYS 8 2.975 0.452 -3.591
58 HA LYS 8 HA LYS 8 4.915 -1.514 -3.320
59 HB2 LYS 8 HB2 LYS 8 5.320 0.911 -3.145
60 HB3 LYS 8 HB1 LYS 8 4.423 0.958 -1.639
61 HG2 LYS 8 HG2 LYS 8 6.124 -0.591 -0.671
62 HG3 LYS 8 HG1 LYS 8 7.059 -0.400 -2.154
63 HD2 LYS 8 HD2 LYS 8 6.233 1.826 -0.292
64 HD3 LYS 8 HD1 LYS 8 7.841 1.102 -0.361
65 HE2 LYS 8 HE2 LYS 8 8.050 1.872 -2.691
66 HE3 LYS 8 HE1 LYS 8 6.451 2.600 -2.581
67 HZ1 LYS 8 HZ1 LYS 8 7.308 4.002 -0.772
68 HZ2 LYS 8 HZ2 LYS 8 8.047 4.287 -2.233
69 HZ3 LYS 8 HZ3 LYS 8 8.869 3.409 -1.039
70 H ARG 9 H ARG 9 2.515 -0.236 -1.037
71 HA ARG 9 HA ARG 9 3.105 -1.994 1.079
72 HB2 ARG 9 HB2 ARG 9 0.576 -0.471 0.477
73 HB3 ARG 9 HB1 ARG 9 0.850 -1.375 1.959
74 HG2 ARG 9 HG2 ARG 9 2.418 0.996 0.984
75 HG3 ARG 9 HG1 ARG 9 1.288 0.962 2.336
76 HD2 ARG 9 HD2 ARG 9 3.925 -0.498 2.122
77 HD3 ARG 9 HD1 ARG 9 3.541 0.852 3.178
78 HE ARG 9 HE ARG 9 1.740 -0.922 3.977
79 HH11 ARG 9 HH11 ARG 9 5.205 -1.346 3.400
80 HH12 ARG 9 HH12 ARG 9 5.414 -2.519 4.613
81 HH21 ARG 9 HH21 ARG 9 2.015 -2.602 5.589
82 HH22 ARG 9 HH22 ARG 9 3.541 -3.286 5.858
83 H LEU 10 H LEU 10 0.748 -2.204 -1.518
84 HA LEU 10 HA LEU 10 -0.465 -4.581 -0.784
85 HB2 LEU 10 HB2 LEU 10 -1.347 -3.327 -2.613
86 HB3 LEU 10 HB1 LEU 10 0.153 -3.465 -3.503
87 HG LEU 10 HG LEU 10 -0.230 -5.816 -3.902
88 HD11 LEU 10 HD11 LEU 10 -2.724 -5.484 -2.240
89 HD12 LEU 10 HD12 LEU 10 -1.305 -6.505 -1.909
90 HD13 LEU 10 HD13 LEU 10 -2.360 -6.880 -3.263
91 HD21 LEU 10 HD21 LEU 10 -2.216 -5.661 -5.313
92 HD22 LEU 10 HD22 LEU 10 -1.173 -4.249 -5.479
93 HD23 LEU 10 HD23 LEU 10 -2.655 -4.145 -4.526
94 H GLN 11 H GLN 11 2.463 -4.137 -2.710
95 HA GLN 11 HA GLN 11 3.017 -6.825 -3.196
96 HB2 GLN 11 HB2 GLN 11 4.885 -4.482 -2.876
97 HB3 GLN 11 HB1 GLN 11 5.411 -6.074 -3.402
98 HG2 GLN 11 HG2 GLN 11 4.001 -5.930 -5.354
99 HG3 GLN 11 HG1 GLN 11 3.366 -4.378 -4.806
100 HE21 GLN 11 1HE2 GLN 11 4.634 -2.575 -4.962
101 HE22 GLN 11 2HE2 GLN 11 6.081 -2.524 -5.913
102 H GLU 12 H GLU 12 4.110 -4.758 -0.513
103 HA GLU 12 HA GLU 12 5.540 -6.757 0.799
104 HB2 GLU 12 HB2 GLU 12 4.209 -4.298 1.919
105 HB3 GLU 12 HB1 GLU 12 5.389 -5.288 2.770
106 HG2 GLU 12 HG2 GLU 12 5.846 -3.733 0.245
107 HG3 GLU 12 HG1 GLU 12 6.442 -3.326 1.851
108 H CYS 13 H CYS 13 2.202 -5.665 1.143
109 HA CYS 13 HA CYS 13 1.514 -7.213 3.349
110 HB2 CYS 13 HB2 CYS 13 0.176 -5.313 2.349
111 HB3 CYS 13 HB1 CYS 13 -0.353 -6.433 1.103
112 H GLN 14 H GLN 14 1.069 -7.966 -0.128
113 HA GLN 14 HA GLN 14 0.008 -10.521 0.429
114 HB2 GLN 14 HB2 GLN 14 0.423 -11.062 -1.989
115 HB3 GLN 14 HB1 GLN 14 -0.561 -9.646 -1.694
116 HG2 GLN 14 HG2 GLN 14 1.265 -8.199 -2.164
117 HG3 GLN 14 HG1 GLN 14 2.376 -9.566 -2.385
118 HE21 GLN 14 1HE2 GLN 14 -0.180 -7.681 -3.678
119 HE22 GLN 14 2HE2 GLN 14 -0.171 -8.336 -5.272
120 H ARG 15 H ARG 15 3.403 -9.541 -0.084
121 HA ARG 15 HA ARG 15 4.155 -12.253 -0.034
122 HB2 ARG 15 HB2 ARG 15 6.453 -11.590 -0.013
123 HB3 ARG 15 HB1 ARG 15 5.491 -10.672 -1.163
124 HG2 ARG 15 HG2 ARG 15 6.978 -9.254 -0.291
125 HG3 ARG 15 HG1 ARG 15 5.449 -8.837 0.484
126 HD2 ARG 15 HD2 ARG 15 6.164 -10.140 2.470
127 HD3 ARG 15 HD1 ARG 15 7.731 -10.409 1.692
128 HE ARG 15 HE ARG 15 7.400 -7.833 1.506
129 HH11 ARG 15 HH11 ARG 15 7.267 -10.038 4.274
130 HH12 ARG 15 HH12 ARG 15 7.751 -8.911 5.438
131 HH21 ARG 15 HH21 ARG 15 8.089 -6.237 3.103
132 HH22 ARG 15 HH22 ARG 15 8.221 -6.638 4.755
133 H ARG 16 H ARG 16 3.557 -9.982 2.446
134 HA ARG 16 HA ARG 16 4.694 -11.487 4.559
135 HB2 ARG 16 HB2 ARG 16 2.382 -9.554 4.531
136 HB3 ARG 16 HB1 ARG 16 2.990 -10.308 5.993
137 HG2 ARG 16 HG2 ARG 16 5.165 -9.242 5.598
138 HG3 ARG 16 HG1 ARG 16 4.492 -8.457 4.171
139 HD2 ARG 16 HD2 ARG 16 4.475 -6.984 6.131
140 HD3 ARG 16 HD1 ARG 16 2.852 -7.311 5.519
141 HE ARG 16 HE ARG 16 3.166 -9.195 7.444
142 HH11 ARG 16 HH11 ARG 16 3.595 -5.688 7.477
143 HH12 ARG 16 HH12 ARG 16 3.164 -5.508 9.114
144 HH21 ARG 16 HH21 ARG 16 2.547 -8.980 9.615
145 HH22 ARG 16 HH22 ARG 16 2.562 -7.447 10.385
146 H CYS 17 H CYS 17 1.510 -11.379 3.131
147 HA CYS 17 HA CYS 17 0.210 -13.254 4.686
148 HB2 CYS 17 HB2 CYS 17 -0.066 -12.747 1.738
149 HB3 CYS 17 HB1 CYS 17 -1.195 -13.681 2.705
150 H GLN 18 H GLN 18 2.361 -13.763 1.954
151 HA GLN 18 HA GLN 18 1.951 -16.554 1.731
152 HB2 GLN 18 HB2 GLN 18 4.233 -14.816 0.829
153 HB3 GLN 18 HB1 GLN 18 3.998 -16.491 0.332
154 HG2 GLN 18 HG2 GLN 18 1.810 -15.815 -0.617
155 HG3 GLN 18 HG1 GLN 18 2.190 -14.162 -0.200
156 HE21 GLN 18 1HE2 GLN 18 3.598 -13.014 -1.401
157 HE22 GLN 18 2HE2 GLN 18 4.317 -13.562 -2.872
158 H SER 19 H SER 19 3.653 -14.738 4.025
159 HA SER 19 HA SER 19 5.312 -17.028 4.775
160 HB2 SER 19 HB2 SER 19 5.404 -14.170 5.754
161 HB3 SER 19 HB1 SER 19 6.591 -15.432 6.085
162 HG SER 19 HG SER 19 7.141 -15.463 3.939
163 H GLU 20 H GLU 20 3.018 -14.639 6.119
164 HA GLU 20 HA GLU 20 2.927 -15.903 8.667
165 HB2 GLU 20 HB2 GLU 20 1.221 -13.721 7.483
166 HB3 GLU 20 HB1 GLU 20 1.265 -14.182 9.180
167 HG2 GLU 20 HG2 GLU 20 3.643 -13.568 9.259
168 HG3 GLU 20 HG1 GLU 20 3.554 -13.089 7.580
169 H GLN 21 H GLN 21 1.071 -16.212 5.691
170 HA GLN 21 HA GLN 21 -0.787 -17.946 7.136
171 HB2 GLN 21 HB2 GLN 21 -1.417 -16.137 4.794
172 HB3 GLN 21 HB1 GLN 21 -2.543 -17.231 5.575
173 HG2 GLN 21 HG2 GLN 21 -1.261 -14.801 6.822
174 HG3 GLN 21 HG1 GLN 21 -2.917 -14.914 6.239
175 HE21 GLN 21 1HE2 GLN 21 -1.962 -14.259 8.878
176 HE22 GLN 21 2HE2 GLN 21 -2.603 -15.448 9.962
177 H GLN 22 H GLN 22 -1.954 -19.371 5.412
178 HA GLN 22 HA GLN 22 -0.711 -19.920 2.934
179 HB2 GLN 22 HB2 GLN 22 -0.163 -22.287 3.414
180 HB3 GLN 22 HB1 GLN 22 0.881 -21.189 4.294
181 HG2 GLN 22 HG2 GLN 22 -0.413 -21.562 6.314
182 HG3 GLN 22 HG1 GLN 22 -1.527 -22.602 5.428
183 HE21 GLN 22 1HE2 GLN 22 0.093 -23.186 7.724
184 HE22 GLN 22 2HE2 GLN 22 1.118 -24.510 7.279
185 H GLY 23 H GLY 23 -1.882 -21.907 2.004
186 HA2 GLY 23 HA2 GLY 23 -3.904 -22.884 1.399
187 HA3 GLY 23 HA1 GLY 23 -4.289 -22.860 3.116
188 H GLN 24 H GLN 24 -6.349 -22.210 3.082
189 HA GLN 24 HA GLN 24 -7.452 -20.232 1.390
190 HB2 GLN 24 HB2 GLN 24 -8.387 -21.233 4.081
191 HB3 GLN 24 HB1 GLN 24 -9.309 -20.140 3.063
192 HG2 GLN 24 HG2 GLN 24 -9.438 -21.859 1.337
193 HG3 GLN 24 HG1 GLN 24 -8.490 -22.945 2.351
194 HE21 GLN 24 1HE2 GLN 24 -10.890 -20.801 3.730
195 HE22 GLN 24 2HE2 GLN 24 -12.021 -22.023 4.132
196 H ARG 25 H ARG 25 -5.909 -20.156 4.520
197 HA ARG 25 HA ARG 25 -6.522 -17.581 5.365
198 HB2 ARG 25 HB2 ARG 25 -4.009 -19.192 5.712
199 HB3 ARG 25 HB1 ARG 25 -4.379 -17.719 6.594
200 HG2 ARG 25 HG2 ARG 25 -6.084 -20.166 6.631
201 HG3 ARG 25 HG1 ARG 25 -4.830 -19.839 7.819
202 HD2 ARG 25 HD2 ARG 25 -7.318 -18.223 7.245
203 HD3 ARG 25 HD1 ARG 25 -6.931 -19.110 8.718
204 HE ARG 25 HE ARG 25 -4.884 -17.382 8.509
205 HH11 ARG 25 HH11 ARG 25 -8.394 -16.996 8.619
206 HH12 ARG 25 HH12 ARG 25 -8.346 -15.381 9.172
207 HH21 ARG 25 HH21 ARG 25 -4.823 -15.171 9.297
208 HH22 ARG 25 HH22 ARG 25 -6.267 -14.319 9.567
209 H LEU 26 H LEU 26 -3.989 -18.712 3.194
210 HA LEU 26 HA LEU 26 -2.748 -16.175 2.883
211 HB2 LEU 26 HB2 LEU 26 -1.433 -17.980 2.356
212 HB3 LEU 26 HB1 LEU 26 -2.614 -18.717 1.275
213 HG LEU 26 HG LEU 26 -2.151 -16.899 -0.356
214 HD11 LEU 26 HD11 LEU 26 -1.529 -15.154 1.143
215 HD12 LEU 26 HD12 LEU 26 -0.203 -15.440 0.013
216 HD13 LEU 26 HD13 LEU 26 -0.112 -16.044 1.675
217 HD21 LEU 26 HD21 LEU 26 -0.914 -18.982 -0.528
218 HD22 LEU 26 HD22 LEU 26 0.300 -18.363 0.595
219 HD23 LEU 26 HD23 LEU 26 0.101 -17.614 -0.988
220 H GLN 27 H GLN 27 -5.131 -17.933 1.047
221 HA GLN 27 HA GLN 27 -5.410 -16.165 -1.088
222 HB2 GLN 27 HB2 GLN 27 -7.426 -18.030 0.172
223 HB3 GLN 27 HB1 GLN 27 -7.616 -17.261 -1.403
224 HG2 GLN 27 HG2 GLN 27 -5.704 -18.416 -2.272
225 HG3 GLN 27 HG1 GLN 27 -5.317 -19.054 -0.682
226 HE21 GLN 27 1HE2 GLN 27 -5.337 -21.140 -1.477
227 HE22 GLN 27 2HE2 GLN 27 -6.792 -21.975 -1.834
228 H GLU 28 H GLU 28 -7.268 -16.382 1.939
229 HA GLU 28 HA GLU 28 -8.868 -14.141 1.649
230 HB2 GLU 28 HB2 GLU 28 -7.635 -15.378 4.100
231 HB3 GLU 28 HB1 GLU 28 -8.819 -14.082 4.161
232 HG2 GLU 28 HG2 GLU 28 -9.261 -16.745 2.875
233 HG3 GLU 28 HG1 GLU 28 -9.766 -16.330 4.508
234 H CYS 29 H CYS 29 -5.704 -14.420 3.227
235 HA CYS 29 HA CYS 29 -5.472 -11.798 4.096
236 HB2 CYS 29 HB2 CYS 29 -4.052 -13.692 4.827
237 HB3 CYS 29 HB1 CYS 29 -3.229 -13.640 3.280
238 H GLN 30 H GLN 30 -4.048 -13.219 1.121
239 HA GLN 30 HA GLN 30 -3.021 -10.725 0.274
240 HB2 GLN 30 HB2 GLN 30 -2.728 -11.701 -1.982
241 HB3 GLN 30 HB1 GLN 30 -2.066 -12.705 -0.705
242 HG2 GLN 30 HG2 GLN 30 -3.869 -14.238 -0.878
243 HG3 GLN 30 HG1 GLN 30 -4.754 -13.163 -1.960
244 HE21 GLN 30 1HE2 GLN 30 -1.994 -15.229 -1.647
245 HE22 GLN 30 2HE2 GLN 30 -1.757 -15.509 -3.332
246 H GLN 31 H GLN 31 -6.129 -12.251 -0.319
247 HA GLN 31 HA GLN 31 -7.026 -10.457 -2.296
248 HB2 GLN 31 HB2 GLN 31 -8.098 -12.659 -1.761
249 HB3 GLN 31 HB1 GLN 31 -8.676 -11.972 -0.255
250 HG2 GLN 31 HG2 GLN 31 -10.450 -11.996 -1.893
251 HG3 GLN 31 HG1 GLN 31 -10.000 -10.337 -1.512
252 HE21 GLN 31 1HE2 GLN 31 -8.158 -12.469 -3.641
253 HE22 GLN 31 2HE2 GLN 31 -8.443 -11.555 -5.068
254 H ARG 32 H ARG 32 -7.163 -10.453 1.222
255 HA ARG 32 HA ARG 32 -8.684 -8.090 1.479
256 HB2 ARG 32 HB2 ARG 32 -6.724 -9.313 3.424
257 HB3 ARG 32 HB1 ARG 32 -7.845 -8.017 3.812
258 HG2 ARG 32 HG2 ARG 32 -8.557 -10.825 2.999
259 HG3 ARG 32 HG1 ARG 32 -8.667 -10.147 4.618
260 HD2 ARG 32 HD2 ARG 32 -10.236 -9.224 2.202
261 HD3 ARG 32 HD1 ARG 32 -10.847 -10.244 3.496
262 HE ARG 32 HE ARG 32 -9.778 -7.731 4.398
263 HH11 ARG 32 HH11 ARG 32 -12.669 -9.325 3.136
264 HH12 ARG 32 HH12 ARG 32 -13.751 -8.318 3.967
265 HH21 ARG 32 HH21 ARG 32 -11.253 -6.330 5.492
266 HH22 ARG 32 HH22 ARG 32 -12.945 -6.539 5.311
267 H CYS 33 H CYS 33 -5.204 -8.677 1.341
268 HA CYS 33 HA CYS 33 -4.339 -6.037 1.704
269 HB2 CYS 33 HB2 CYS 33 -3.133 -8.152 -0.100
270 HB3 CYS 33 HB1 CYS 33 -2.321 -6.680 0.406
271 H GLN 34 H GLN 34 -5.461 -7.727 -1.163
272 HA GLN 34 HA GLN 34 -5.006 -5.636 -2.991
273 HB2 GLN 34 HB2 GLN 34 -6.902 -7.975 -3.071
274 HB3 GLN 34 HB1 GLN 34 -6.676 -6.880 -4.423
275 HG2 GLN 34 HG2 GLN 34 -4.303 -7.496 -4.512
276 HG3 GLN 34 HG1 GLN 34 -4.545 -8.590 -3.153
277 HE21 GLN 34 1HE2 GLN 34 -5.113 -8.038 -6.515
278 HE22 GLN 34 2HE2 GLN 34 -5.631 -9.635 -6.902
279 H GLN 35 H GLN 35 -7.732 -6.417 -0.925
280 HA GLN 35 HA GLN 35 -9.445 -4.400 -2.002
281 HB2 GLN 35 HB2 GLN 35 -9.579 -5.567 0.794
282 HB3 GLN 35 HB1 GLN 35 -10.862 -4.714 -0.040
283 HG2 GLN 35 HG2 GLN 35 -9.802 -7.476 -0.568
284 HG3 GLN 35 HG1 GLN 35 -11.428 -7.000 -0.089
285 HE21 GLN 35 1HE2 GLN 35 -9.244 -7.460 -2.641
286 HE22 GLN 35 2HE2 GLN 35 -10.296 -7.129 -3.959
287 H GLU 36 H GLU 36 -7.211 -4.569 0.711
288 HA GLU 36 HA GLU 36 -7.562 -2.013 1.766
289 HB2 GLU 36 HB2 GLU 36 -5.167 -3.789 1.636
290 HB3 GLU 36 HB1 GLU 36 -5.145 -2.243 2.457
291 HG2 GLU 36 HG2 GLU 36 -7.054 -3.100 3.862
292 HG3 GLU 36 HG1 GLU 36 -6.792 -4.677 3.110
293 H TYR 37 H TYR 37 -5.446 -3.158 -0.742
294 HA TYR 37 HA TYR 37 -4.077 -0.870 -1.476
295 HB2 TYR 37 HB2 TYR 37 -3.517 -2.913 -2.555
296 HB3 TYR 37 HB1 TYR 37 -5.156 -3.135 -3.147
297 HD1 TYR 37 HD1 TYR 37 -2.168 -0.946 -3.511
298 HD2 TYR 37 HD2 TYR 37 -5.758 -2.387 -5.269
299 HE1 TYR 37 HE1 TYR 37 -1.574 0.154 -5.616
300 HE2 TYR 37 HE2 TYR 37 -5.177 -1.299 -7.379
301 HH TYR 37 HH TYR 37 -2.098 -0.049 -8.044
302 H GLN 38 H GLN 38 -7.351 -1.799 -2.394
303 HA GLN 38 HA GLN 38 -7.776 0.392 -4.173
304 HB2 GLN 38 HB2 GLN 38 -9.771 -1.355 -2.741
305 HB3 GLN 38 HB1 GLN 38 -10.120 -0.302 -4.102
306 HG2 GLN 38 HG2 GLN 38 -8.669 -1.640 -5.522
307 HG3 GLN 38 HG1 GLN 38 -8.268 -2.669 -4.149
308 HE21 GLN 38 1HE2 GLN 38 -10.688 -1.794 -6.435
309 HE22 GLN 38 2HE2 GLN 38 -11.742 -3.132 -6.142
310 H ARG 39 H ARG 39 -7.938 -0.024 -0.823
311 HA ARG 39 HA ARG 39 -9.645 2.248 -0.350
312 HB2 ARG 39 HB2 ARG 39 -8.126 0.448 1.512
313 HB3 ARG 39 HB1 ARG 39 -9.152 1.762 2.048
314 HG2 ARG 39 HG2 ARG 39 -11.088 0.663 1.054
315 HG3 ARG 39 HG1 ARG 39 -10.048 -0.639 0.467
316 HD2 ARG 39 HD2 ARG 39 -9.424 -1.187 2.746
317 HD3 ARG 39 HD1 ARG 39 -10.425 0.131 3.351
318 HE ARG 39 HE ARG 39 -12.081 -1.447 1.859
319 HH11 ARG 39 HH11 ARG 39 -9.982 -1.975 4.647
320 HH12 ARG 39 HH12 ARG 39 -11.021 -3.080 5.419
321 HH21 ARG 39 HH21 ARG 39 -13.520 -3.041 2.887
322 HH22 ARG 39 HH22 ARG 39 -13.089 -3.692 4.393
323 H GLU 40 H GLU 40 -6.271 1.352 0.358
324 HA GLU 40 HA GLU 40 -5.804 4.086 1.159
325 HB2 GLU 40 HB2 GLU 40 -3.617 3.324 1.956
326 HB3 GLU 40 HB1 GLU 40 -4.935 2.392 2.628
327 HG2 GLU 40 HG2 GLU 40 -4.425 0.553 1.112
328 HG3 GLU 40 HG1 GLU 40 -3.133 1.505 0.381
329 H LYS 41 H LYS 41 -6.075 3.097 -1.793
330 HA LYS 41 HA LYS 41 -3.555 3.730 -2.946
331 HB2 LYS 41 HB2 LYS 41 -4.776 3.810 -5.089
332 HB3 LYS 41 HB1 LYS 41 -5.152 2.360 -4.166
333 HG2 LYS 41 HG2 LYS 41 -7.234 3.375 -3.421
334 HG3 LYS 41 HG1 LYS 41 -6.858 4.818 -4.361
335 HD2 LYS 41 HD2 LYS 41 -6.887 3.515 -6.403
336 HD3 LYS 41 HD1 LYS 41 -7.203 2.043 -5.478
337 HE2 LYS 41 HE2 LYS 41 -9.254 2.841 -6.380
338 HE3 LYS 41 HE1 LYS 41 -9.274 3.059 -4.641
339 HZ1 LYS 41 HZ1 LYS 41 -8.685 5.416 -4.982
340 HZ2 LYS 41 HZ2 LYS 41 -10.141 5.024 -5.707
341 HZ3 LYS 41 HZ3 LYS 41 -8.777 5.199 -6.649
342 H GLY 42 H GLY 42 -6.304 5.574 -1.982
343 HA2 GLY 42 HA2 GLY 42 -4.977 7.974 -3.009
344 HA3 GLY 42 HA1 GLY 42 -6.727 7.816 -2.870
345 H GLN 43 H GLN 43 -7.595 7.521 -0.711
346 HA GLN 43 HA GLN 43 -5.905 8.746 1.340
347 HB2 GLN 43 HB2 GLN 43 -8.893 9.032 0.910
348 HB3 GLN 43 HB1 GLN 43 -7.998 9.665 2.285
349 HG2 GLN 43 HG2 GLN 43 -7.477 10.469 -0.560
350 HG3 GLN 43 HG1 GLN 43 -8.514 11.359 0.554
351 HE21 GLN 43 1HE2 GLN 43 -5.229 10.455 -0.207
352 HE22 GLN 43 2HE2 GLN 43 -4.474 11.630 0.782
353 H HIS 44 H HIS 44 -5.870 7.728 3.278
354 HA HIS 44 HA HIS 44 -6.269 4.963 3.120
355 HB2 HIS 44 HB2 HIS 44 -5.364 6.706 5.368
356 HB3 HIS 44 HB1 HIS 44 -5.632 4.983 5.606
357 HD1 HIS 44 HD1 HIS 44 -3.692 3.525 5.081
358 HD2 HIS 44 HD2 HIS 44 -3.436 7.204 3.179
359 HE1 HIS 44 HE1 HIS 44 -1.444 3.569 3.935
360 H GLN 45 H GLN 45 -8.054 7.245 5.229
361 HA GLN 45 HA GLN 45 -9.655 5.068 6.148
362 HB2 GLN 45 HB2 GLN 45 -9.863 8.041 6.627
363 HB3 GLN 45 HB1 GLN 45 -10.972 6.866 7.305
364 HG2 GLN 45 HG2 GLN 45 -9.388 7.418 8.981
365 HG3 GLN 45 HG1 GLN 45 -9.023 5.787 8.436
366 HE21 GLN 45 1HE2 GLN 45 -6.903 5.829 9.067
367 HE22 GLN 45 2HE2 GLN 45 -5.719 6.846 8.352
368 H GLY 46 H GLY 46 -9.793 7.325 3.632
369 HA2 GLY 46 HA2 GLY 46 -11.160 7.036 1.738
370 HA3 GLY 46 HA1 GLY 46 -12.277 6.097 2.730
371 H GLU 47 H GLU 47 -11.955 8.910 1.171
372 HA GLU 47 HA GLU 47 -13.056 10.671 3.127
373 HB2 GLU 47 HB2 GLU 47 -12.842 10.995 0.134
374 HB3 GLU 47 HB1 GLU 47 -13.216 12.269 1.283
375 HG2 GLU 47 HG2 GLU 47 -10.631 10.732 1.142
376 HG3 GLU 47 HG1 GLU 47 -10.891 12.366 0.541
377 H THR 48 H THR 48 -15.105 11.200 3.427
378 HA THR 48 HA THR 48 -17.093 9.666 1.949
379 HB THR 48 HB THR 48 -17.088 9.393 4.426
380 HG1 THR 48 HG1 THR 48 -19.166 9.760 2.948
381 HG21 THR 48 HG21 THR 48 -16.302 11.601 5.100
382 HG22 THR 48 HG22 THR 48 -17.844 11.250 5.878
383 HG23 THR 48 HG23 THR 48 -17.784 12.335 4.491
384 H ASN 49 H ASN 49 -15.611 12.528 1.802
385 HA ASN 49 HA ASN 49 -17.985 14.009 0.993
386 HB2 ASN 49 HB2 ASN 49 -15.180 14.988 1.583
387 HB3 ASN 49 HB1 ASN 49 -16.442 16.001 0.896
388 HD21 ASN 49 HD21 ASN 49 -18.204 16.575 2.204
389 HD22 ASN 49 HD22 ASN 49 -18.124 16.465 3.924