Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
529230 | 2lo2 RC | 18191 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -26.070 6.405 5.118
2 H2 GLY 1 2H GLY 1 -25.667 4.772 5.295
3 H3 GLY 1 3H GLY 1 -26.104 5.402 3.771
4 HA2 GLY 1 1HA GLY 1 -23.717 6.151 5.311
5 HA3 GLY 1 2HA GLY 1 -23.743 5.076 3.916
6 H LYS 2 H LYS 2 -22.497 7.704 4.431
7 HA LYS 2 HA LYS 2 -23.086 8.799 1.840
8 HB2 LYS 2 1HB LYS 2 -24.796 9.890 3.305
9 HB3 LYS 2 2HB LYS 2 -23.492 10.571 4.255
10 HG2 LYS 2 1HG LYS 2 -24.358 12.228 2.762
11 HG3 LYS 2 2HG LYS 2 -22.710 11.812 2.299
12 HD2 LYS 2 1HD LYS 2 -23.922 12.004 0.287
13 HD3 LYS 2 2HD LYS 2 -23.725 10.283 0.544
14 HE2 LYS 2 1HE LYS 2 -26.227 11.859 1.210
15 HE3 LYS 2 2HE LYS 2 -25.992 10.972 -0.282
16 HZ1 LYS 2 3HZ LYS 2 -27.301 9.668 1.155
17 HZ2 LYS 2 1HZ LYS 2 -26.262 9.809 2.463
18 HZ3 LYS 2 2HZ LYS 2 -25.832 8.907 1.099
19 H GLN 3 H GLN 3 -21.463 9.451 4.938
20 HA GLN 3 HA GLN 3 -19.219 10.718 3.587
21 HB2 GLN 3 1HB GLN 3 -18.322 11.072 5.861
22 HB3 GLN 3 2HB GLN 3 -19.963 11.668 5.703
23 HG2 GLN 3 1HG GLN 3 -20.826 9.732 6.852
24 HG3 GLN 3 2HG GLN 3 -19.223 9.019 6.912
25 HE21 GLN 3 2HE2 GLN 3 -19.772 12.434 7.488
26 HE22 GLN 3 1HE2 GLN 3 -19.453 12.386 9.164
27 H GLN 4 H GLN 4 -20.062 7.639 4.042
28 HA GLN 4 HA GLN 4 -17.542 6.568 4.883
29 HB2 GLN 4 1HB GLN 4 -20.045 5.221 3.839
30 HB3 GLN 4 2HB GLN 4 -18.597 4.349 4.298
31 HG2 GLN 4 1HG GLN 4 -20.210 4.202 6.070
32 HG3 GLN 4 2HG GLN 4 -18.861 5.184 6.605
33 HE21 GLN 4 2HE2 GLN 4 -20.093 6.115 8.198
34 HE22 GLN 4 1HE2 GLN 4 -21.310 7.294 7.898
35 H GLU 5 H GLU 5 -16.009 7.142 3.412
36 HA GLU 5 HA GLU 5 -16.327 6.784 0.591
37 HB2 GLU 5 1HB GLU 5 -14.675 8.369 1.554
38 HB3 GLU 5 2HB GLU 5 -13.812 7.010 2.258
39 HG2 GLU 5 1HG GLU 5 -13.576 6.130 -0.127
40 HG3 GLU 5 2HG GLU 5 -14.084 7.736 -0.642
41 H SER 6 H SER 6 -15.827 4.975 -0.582
42 HA SER 6 HA SER 6 -15.095 2.622 0.879
43 HB2 SER 6 1HB SER 6 -15.556 3.014 -2.089
44 HB3 SER 6 2HB SER 6 -15.363 1.462 -1.274
45 HG SER 6 HG SER 6 -17.548 3.120 -1.412
46 H SER 7 H SER 7 -13.112 3.337 1.625
47 HA SER 7 HA SER 7 -11.003 4.037 -0.126
48 HB2 SER 7 1HB SER 7 -10.929 3.113 2.761
49 HB3 SER 7 2HB SER 7 -9.628 3.939 1.902
50 HG SER 7 HG SER 7 -11.233 5.652 1.532
51 H GLN 8 H GLN 8 -12.248 1.149 1.325
52 HA GLN 8 HA GLN 8 -11.995 -1.091 0.987
53 HB2 GLN 8 1HB GLN 8 -12.365 -0.349 -1.402
54 HB3 GLN 8 2HB GLN 8 -10.588 -0.296 -1.482
55 HG2 GLN 8 1HG GLN 8 -10.436 -2.668 -1.087
56 HG3 GLN 8 2HG GLN 8 -12.179 -2.782 -0.878
57 HE21 GLN 8 2HE2 GLN 8 -12.358 -4.281 -2.489
58 HE22 GLN 8 1HE2 GLN 8 -12.229 -3.900 -4.154
59 H TYR 9 H TYR 9 -10.523 -1.877 2.466
60 HA TYR 9 HA TYR 9 -7.758 -1.291 1.924
61 HB2 TYR 9 1HB TYR 9 -8.750 -3.099 4.165
62 HB3 TYR 9 2HB TYR 9 -7.199 -2.335 3.989
63 HD1 TYR 9 HD2 TYR 9 -7.001 0.138 4.124
64 HD2 TYR 9 HD1 TYR 9 -10.513 -1.949 5.245
65 HE1 TYR 9 HE2 TYR 9 -7.746 2.093 5.403
66 HE2 TYR 9 HE1 TYR 9 -11.276 -0.003 6.532
67 HH TYR 9 HH TYR 9 -10.238 1.952 7.637
68 H ILE 10 H ILE 10 -6.468 -2.583 0.844
69 HA ILE 10 HA ILE 10 -7.208 -5.379 0.471
70 HB ILE 10 HB ILE 10 -6.314 -5.399 -1.764
71 HG12 ILE 10 1HG1 ILE 10 -5.576 -2.527 -1.281
72 HG13 ILE 10 2HG1 ILE 10 -4.467 -3.859 -1.404
73 HG21 ILE 10 1HG2 ILE 10 -7.822 -3.854 -2.951
74 HG22 ILE 10 2HG2 ILE 10 -8.150 -3.046 -1.414
75 HG23 ILE 10 3HG2 ILE 10 -8.614 -4.725 -1.639
76 HD11 ILE 10 3HD1 ILE 10 -5.069 -4.223 -3.739
77 HD12 ILE 10 1HD1 ILE 10 -4.459 -2.589 -3.482
78 HD13 ILE 10 2HD1 ILE 10 -6.190 -2.867 -3.668
79 H HIS 11 H HIS 11 -5.251 -6.528 -0.291
80 HA HIS 11 HA HIS 11 -3.295 -6.180 1.829
81 HB2 HIS 11 1HB HIS 11 -4.216 -8.422 1.477
82 HB3 HIS 11 2HB HIS 11 -3.658 -8.409 -0.187
83 HD1 HIS 11 HD1 HIS 11 -2.404 -8.779 3.349
84 HD2 HIS 11 HD2 HIS 11 -1.001 -9.117 -0.548
85 HE1 HIS 11 HE1 HIS 11 -0.145 -9.835 3.534
86 HE2 HIS 11 HE2 HIS 11 0.544 -10.272 1.148
87 H CYS 12 H CYS 12 -1.658 -4.822 1.437
88 HA CYS 12 HA CYS 12 -0.604 -4.286 -1.121
89 HB2 CYS 12 1HB CYS 12 -0.456 -2.676 0.768
90 HB3 CYS 12 2HB CYS 12 0.484 -3.876 1.663
91 H GLU 13 H GLU 13 1.135 -5.208 -1.994
92 HA GLU 13 HA GLU 13 1.985 -7.769 -0.854
93 HB2 GLU 13 1HB GLU 13 2.809 -8.315 -3.094
94 HB3 GLU 13 2HB GLU 13 1.131 -7.815 -3.167
95 HG2 GLU 13 1HG GLU 13 3.482 -6.054 -3.888
96 HG3 GLU 13 2HG GLU 13 2.515 -6.962 -5.044
97 H ASN 14 H ASN 14 2.825 -4.665 -1.047
98 HA ASN 14 HA ASN 14 5.653 -5.103 -1.358
99 HB2 ASN 14 1HB ASN 14 3.943 -2.660 -1.375
100 HB3 ASN 14 2HB ASN 14 5.649 -2.472 -0.935
101 HD21 ASN 14 2HD2 ASN 14 3.419 -3.537 -3.476
102 HD22 ASN 14 1HD2 ASN 14 4.596 -3.379 -4.732
103 H CYS 15 H CYS 15 3.528 -4.153 1.282
104 HA CYS 15 HA CYS 15 5.784 -4.912 3.035
105 HB2 CYS 15 1HB CYS 15 4.815 -3.429 4.789
106 HB3 CYS 15 2HB CYS 15 5.327 -2.542 3.353
107 H GLY 16 H GLY 16 2.903 -5.938 1.897
108 HA2 GLY 16 1HA GLY 16 1.501 -7.633 2.522
109 HA3 GLY 16 2HA GLY 16 2.568 -7.920 3.889
110 H ARG 17 H ARG 17 0.830 -4.961 3.132
111 HA ARG 17 HA ARG 17 -0.545 -5.340 5.701
112 HB2 ARG 17 1HB ARG 17 1.108 -3.727 6.173
113 HB3 ARG 17 2HB ARG 17 0.842 -2.860 4.675
114 HG2 ARG 17 1HG ARG 17 -0.010 -1.546 6.493
115 HG3 ARG 17 2HG ARG 17 -1.372 -2.164 5.560
116 HD2 ARG 17 1HD ARG 17 -1.418 -4.060 7.309
117 HD3 ARG 17 2HD ARG 17 -0.433 -2.963 8.283
118 HE ARG 17 HE ARG 17 -2.922 -1.956 7.147
119 HH11 ARG 17 1HH1 ARG 17 -1.129 -2.903 10.016
120 HH12 ARG 17 2HH1 ARG 17 -2.294 -2.380 11.134
121 HH21 ARG 17 1HH2 ARG 17 -4.572 -1.240 8.645
122 HH22 ARG 17 2HH2 ARG 17 -4.323 -1.358 10.310
123 H ASP 18 H ASP 18 -2.579 -4.750 5.936
124 HA ASP 18 HA ASP 18 -4.463 -4.517 3.881
125 HB2 ASP 18 1HB ASP 18 -4.752 -5.399 6.231
126 HB3 ASP 18 2HB ASP 18 -4.482 -3.696 6.697
127 H VAL 19 H VAL 19 -4.194 -2.739 2.696
128 HA VAL 19 HA VAL 19 -4.318 -0.069 3.995
129 HB VAL 19 HB VAL 19 -2.600 -0.756 1.586
130 HG11 VAL 19 1HG1 VAL 19 -1.674 1.501 1.826
131 HG12 VAL 19 2HG1 VAL 19 -2.799 1.814 3.147
132 HG13 VAL 19 3HG1 VAL 19 -3.410 1.546 1.516
133 HG21 VAL 19 3HG2 VAL 19 -0.674 -0.420 3.071
134 HG22 VAL 19 1HG2 VAL 19 -1.750 -1.717 3.618
135 HG23 VAL 19 2HG2 VAL 19 -1.807 -0.166 4.420
136 H SER 20 H SER 20 -5.366 1.575 2.727
137 HA SER 20 HA SER 20 -7.668 0.717 1.235
138 HB2 SER 20 1HB SER 20 -6.342 3.429 1.258
139 HB3 SER 20 2HB SER 20 -8.022 3.056 0.897
140 HG SER 20 HG SER 20 -6.781 2.599 3.411
141 H ALA 21 H ALA 21 -7.800 0.115 -0.731
142 HA ALA 21 HA ALA 21 -5.718 -0.007 -2.617
143 HB1 ALA 21 3HB ALA 21 -7.658 -1.479 -2.683
144 HB2 ALA 21 1HB ALA 21 -7.510 -0.599 -4.199
145 HB3 ALA 21 2HB ALA 21 -8.712 -0.108 -3.009
146 H ASN 22 H ASN 22 -7.998 2.296 -1.748
147 HA ASN 22 HA ASN 22 -7.874 3.976 -4.114
148 HB2 ASN 22 1HB ASN 22 -9.834 3.867 -2.489
149 HB3 ASN 22 2HB ASN 22 -8.787 4.729 -1.362
150 HD21 ASN 22 2HD2 ASN 22 -10.392 6.490 -1.301
151 HD22 ASN 22 1HD2 ASN 22 -10.455 7.578 -2.620
152 H ARG 23 H ARG 23 -5.749 3.405 -1.613
153 HA ARG 23 HA ARG 23 -4.408 6.020 -1.910
154 HB2 ARG 23 1HB ARG 23 -4.770 4.388 0.596
155 HB3 ARG 23 2HB ARG 23 -3.749 5.794 0.488
156 HG2 ARG 23 1HG ARG 23 -5.657 7.191 0.010
157 HG3 ARG 23 2HG ARG 23 -6.711 5.783 -0.001
158 HD2 ARG 23 1HD ARG 23 -6.238 5.371 2.335
159 HD3 ARG 23 2HD ARG 23 -5.103 6.722 2.361
160 HE ARG 23 HE ARG 23 -7.006 8.146 1.802
161 HH11 ARG 23 1HH1 ARG 23 -7.688 5.029 3.410
162 HH12 ARG 23 2HH1 ARG 23 -9.065 5.608 4.205
163 HH21 ARG 23 1HH2 ARG 23 -8.937 8.891 2.907
164 HH22 ARG 23 2HH2 ARG 23 -9.817 7.827 3.903
165 H LEU 24 H LEU 24 -4.231 3.022 -2.781
166 HA LEU 24 HA LEU 24 -2.014 1.882 -1.407
167 HB2 LEU 24 1HB LEU 24 -3.904 0.886 -3.071
168 HB3 LEU 24 2HB LEU 24 -2.533 0.930 -4.149
169 HG LEU 24 HG LEU 24 -2.735 -1.250 -3.224
170 HD11 LEU 24 1HD1 LEU 24 -0.393 0.117 -1.916
171 HD12 LEU 24 2HD1 LEU 24 -0.432 -0.564 -3.533
172 HD13 LEU 24 3HD1 LEU 24 -0.528 -1.618 -2.137
173 HD21 LEU 24 3HD2 LEU 24 -4.008 -0.776 -1.236
174 HD22 LEU 24 1HD2 LEU 24 -2.616 0.009 -0.494
175 HD23 LEU 24 2HD2 LEU 24 -2.582 -1.726 -0.818
176 H ALA 25 H ALA 25 -2.300 3.661 -4.372
177 HA ALA 25 HA ALA 25 0.362 3.332 -5.242
178 HB1 ALA 25 3HB ALA 25 -1.477 5.631 -5.863
179 HB2 ALA 25 1HB ALA 25 -1.438 4.095 -6.729
180 HB3 ALA 25 2HB ALA 25 -0.037 5.165 -6.765
181 H ALA 26 H ALA 26 -1.105 6.055 -3.411
182 HA ALA 26 HA ALA 26 1.313 7.527 -3.102
183 HB1 ALA 26 3HB ALA 26 -0.889 8.541 -2.707
184 HB2 ALA 26 1HB ALA 26 0.117 8.675 -1.262
185 HB3 ALA 26 2HB ALA 26 -1.156 7.457 -1.343
186 H HIS 27 H HIS 27 -0.307 5.111 -1.273
187 HA HIS 27 HA HIS 27 1.370 4.900 0.927
188 HB2 HIS 27 1HB HIS 27 -0.734 3.690 1.000
189 HB3 HIS 27 2HB HIS 27 -0.340 2.856 -0.484
190 HD1 HIS 27 HD1 HIS 27 0.727 2.906 3.155
191 HD2 HIS 27 HD2 HIS 27 1.041 0.591 -0.254
192 HE1 HIS 27 HE1 HIS 27 1.875 0.803 3.884
193 H LEU 28 H LEU 28 1.483 3.368 -2.262
194 HA LEU 28 HA LEU 28 3.692 1.778 -1.707
195 HB2 LEU 28 1HB LEU 28 2.034 2.201 -3.929
196 HB3 LEU 28 2HB LEU 28 3.686 2.515 -4.449
197 HG LEU 28 HG LEU 28 2.993 0.196 -4.838
198 HD11 LEU 28 1HD1 LEU 28 4.980 -0.861 -3.857
199 HD12 LEU 28 2HD1 LEU 28 5.189 0.520 -2.785
200 HD13 LEU 28 3HD1 LEU 28 5.368 0.723 -4.523
201 HD21 LEU 28 3HD2 LEU 28 2.885 0.013 -1.814
202 HD22 LEU 28 1HD2 LEU 28 2.708 -1.327 -2.942
203 HD23 LEU 28 2HD2 LEU 28 1.510 -0.024 -2.885
204 H GLN 29 H GLN 29 3.433 5.047 -2.881
205 HA GLN 29 HA GLN 29 6.150 5.386 -3.449
206 HB2 GLN 29 1HB GLN 29 3.931 7.206 -2.696
207 HB3 GLN 29 2HB GLN 29 5.557 7.829 -2.532
208 HG2 GLN 29 1HG GLN 29 4.563 8.518 -4.658
209 HG3 GLN 29 2HG GLN 29 5.962 7.490 -4.878
210 HE21 GLN 29 2HE2 GLN 29 4.808 4.901 -4.818
211 HE22 GLN 29 1HE2 GLN 29 3.681 4.776 -6.100
212 H ARG 30 H ARG 30 4.388 5.800 -0.389
213 HA ARG 30 HA ARG 30 6.744 6.393 1.166
214 HB2 ARG 30 1HB ARG 30 4.327 6.935 1.808
215 HB3 ARG 30 2HB ARG 30 4.133 5.230 2.145
216 HG2 ARG 30 1HG ARG 30 4.532 6.476 4.185
217 HG3 ARG 30 2HG ARG 30 5.863 5.366 3.866
218 HD2 ARG 30 1HD ARG 30 6.700 7.537 4.621
219 HD3 ARG 30 2HD ARG 30 7.197 7.225 2.963
220 HE ARG 30 HE ARG 30 4.788 8.641 2.938
221 HH11 ARG 30 1HH1 ARG 30 8.233 9.187 3.592
222 HH12 ARG 30 2HH1 ARG 30 8.167 10.867 3.353
223 HH21 ARG 30 1HH2 ARG 30 4.695 10.940 2.553
224 HH22 ARG 30 2HH2 ARG 30 6.099 11.895 2.747
225 H CYS 31 H CYS 31 4.935 3.514 0.474
226 HA CYS 31 HA CYS 31 6.123 1.753 2.210
227 HB2 CYS 31 1HB CYS 31 3.999 1.407 0.916
228 HB3 CYS 31 2HB CYS 31 4.999 1.127 -0.497
229 H LEU 32 H LEU 32 6.863 2.440 -1.215
230 HA LEU 32 HA LEU 32 8.937 0.504 -1.382
231 HB2 LEU 32 1HB LEU 32 7.382 1.454 -3.236
232 HB3 LEU 32 2HB LEU 32 8.431 2.835 -3.231
233 HG LEU 32 HG LEU 32 8.826 1.250 -5.104
234 HD11 LEU 32 1HD1 LEU 32 10.599 2.747 -4.485
235 HD12 LEU 32 2HD1 LEU 32 11.266 1.184 -4.955
236 HD13 LEU 32 3HD1 LEU 32 11.150 1.621 -3.248
237 HD21 LEU 32 3HD2 LEU 32 9.860 -0.605 -2.960
238 HD22 LEU 32 1HD2 LEU 32 9.932 -0.875 -4.699
239 HD23 LEU 32 2HD2 LEU 32 8.372 -0.832 -3.869
240 H SER 33 H SER 33 8.734 3.988 -0.778
241 HA SER 33 HA SER 33 11.458 4.611 -0.820
242 HB2 SER 33 1HB SER 33 9.584 6.265 -0.734
243 HB3 SER 33 2HB SER 33 9.250 5.773 0.919
244 HG SER 33 HG SER 33 11.828 6.606 0.301
245 H ARG 34 H ARG 34 9.384 3.470 1.821
246 HA ARG 34 HA ARG 34 11.479 3.395 3.778
247 HB2 ARG 34 1HB ARG 34 8.669 2.336 3.717
248 HB3 ARG 34 2HB ARG 34 9.737 2.117 5.093
249 HG2 ARG 34 1HG ARG 34 9.827 4.436 5.512
250 HG3 ARG 34 2HG ARG 34 9.068 4.814 3.963
251 HD2 ARG 34 1HD ARG 34 7.527 5.015 5.899
252 HD3 ARG 34 2HD ARG 34 7.004 3.883 4.659
253 HE ARG 34 HE ARG 34 8.385 2.370 6.508
254 HH11 ARG 34 1HH1 ARG 34 5.558 4.501 6.762
255 HH12 ARG 34 2HH1 ARG 34 4.729 3.523 7.859
256 HH21 ARG 34 1HH2 ARG 34 7.292 1.033 8.021
257 HH22 ARG 34 2HH2 ARG 34 5.761 1.489 8.632
258 H GLY 35 H GLY 35 9.983 1.070 1.642
259 HA2 GLY 35 1HA GLY 35 11.234 -1.191 2.899
260 HA3 GLY 35 2HA GLY 35 10.177 -1.186 1.496
261 H ALA 36 H ALA 36 13.205 0.471 2.101
262 HA ALA 36 HA ALA 36 14.279 -0.565 -0.376
263 HB1 ALA 36 3HB ALA 36 14.783 1.764 0.269
264 HB2 ALA 36 1HB ALA 36 16.262 0.803 0.185
265 HB3 ALA 36 2HB ALA 36 15.548 1.185 1.749
266 H ARG 37 H ARG 37 14.485 -2.710 -0.066
267 HA ARG 37 HA ARG 37 15.636 -3.679 2.405
268 HB2 ARG 37 1HB ARG 37 13.608 -4.707 1.305
269 HB3 ARG 37 2HB ARG 37 14.693 -5.315 0.059
270 HG2 ARG 37 1HG ARG 37 15.961 -6.512 1.803
271 HG3 ARG 37 2HG ARG 37 14.796 -5.948 2.998
272 HD2 ARG 37 1HD ARG 37 14.284 -7.792 0.668
273 HD3 ARG 37 2HD ARG 37 14.220 -8.163 2.387
274 HE ARG 37 HE ARG 37 12.397 -6.101 1.542
275 HH11 ARG 37 1HH1 ARG 37 12.792 -9.525 2.269
276 HH12 ARG 37 2HH1 ARG 37 11.144 -9.895 2.232
277 HH21 ARG 37 1HH2 ARG 37 10.139 -6.553 1.478
278 HH22 ARG 37 2HH2 ARG 37 9.555 -8.136 1.750
279 H ARG 38 H ARG 38 17.595 -4.587 2.572
280 HA ARG 38 HA ARG 38 19.202 -4.875 0.168
281 HB2 ARG 38 1HB ARG 38 19.744 -2.732 1.244
282 HB3 ARG 38 2HB ARG 38 20.008 -3.554 2.772
283 HG2 ARG 38 1HG ARG 38 21.932 -4.699 1.850
284 HG3 ARG 38 2HG ARG 38 21.617 -3.975 0.271
285 HD2 ARG 38 1HD ARG 38 22.271 -2.462 2.795
286 HD3 ARG 38 2HD ARG 38 23.397 -2.804 1.482
287 HE ARG 38 HE ARG 38 20.942 -1.261 1.017
288 HH11 ARG 38 1HH1 ARG 38 24.492 -1.411 0.994
289 HH12 ARG 38 2HH1 ARG 38 24.695 -0.016 0.051
290 HH21 ARG 38 1HH2 ARG 38 21.237 0.734 -0.248
291 HH22 ARG 38 2HH2 ARG 38 22.813 1.219 -0.670
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -16.437 0.467 -1.344
2 H2 GLY 1 2H GLY 1 -16.205 -1.130 -0.950
3 H3 GLY 1 3H GLY 1 -16.513 0.005 0.284
4 HA2 GLY 1 1HA GLY 1 -18.363 -0.876 -1.870
5 HA3 GLY 1 2HA GLY 1 -18.496 -1.265 -0.161
6 H LYS 2 H LYS 2 -19.359 0.240 1.232
7 HA LYS 2 HA LYS 2 -20.677 2.464 -0.045
8 HB2 LYS 2 1HB LYS 2 -20.832 1.377 2.761
9 HB3 LYS 2 2HB LYS 2 -21.676 2.837 2.273
10 HG2 LYS 2 1HG LYS 2 -22.094 0.049 1.192
11 HG3 LYS 2 2HG LYS 2 -23.168 0.922 2.281
12 HD2 LYS 2 1HD LYS 2 -22.504 1.719 -0.568
13 HD3 LYS 2 2HD LYS 2 -23.993 0.966 -0.022
14 HE2 LYS 2 1HE LYS 2 -24.551 2.911 1.308
15 HE3 LYS 2 2HE LYS 2 -23.004 3.660 0.920
16 HZ1 LYS 2 3HZ LYS 2 -25.135 3.013 -1.040
17 HZ2 LYS 2 1HZ LYS 2 -23.661 3.726 -1.399
18 HZ3 LYS 2 2HZ LYS 2 -24.770 4.550 -0.466
19 H GLN 3 H GLN 3 -19.627 4.194 -0.347
20 HA GLN 3 HA GLN 3 -18.333 6.003 -0.141
21 HB2 GLN 3 1HB GLN 3 -18.451 5.410 2.823
22 HB3 GLN 3 2HB GLN 3 -17.795 6.884 2.123
23 HG2 GLN 3 1HG GLN 3 -19.984 7.382 1.150
24 HG3 GLN 3 2HG GLN 3 -20.637 5.923 1.892
25 HE21 GLN 3 2HE2 GLN 3 -18.325 8.051 3.443
26 HE22 GLN 3 1HE2 GLN 3 -19.416 8.639 4.643
27 H GLN 4 H GLN 4 -16.133 6.636 1.416
28 HA GLN 4 HA GLN 4 -14.234 4.890 0.108
29 HB2 GLN 4 1HB GLN 4 -13.872 7.438 1.662
30 HB3 GLN 4 2HB GLN 4 -12.582 6.580 0.827
31 HG2 GLN 4 1HG GLN 4 -13.711 6.925 -1.290
32 HG3 GLN 4 2HG GLN 4 -15.030 7.748 -0.466
33 HE21 GLN 4 2HE2 GLN 4 -13.220 9.141 1.384
34 HE22 GLN 4 1HE2 GLN 4 -12.499 10.380 0.415
35 H GLU 5 H GLU 5 -12.344 4.130 1.206
36 HA GLU 5 HA GLU 5 -11.130 3.102 2.743
37 HB2 GLU 5 1HB GLU 5 -12.847 4.489 4.805
38 HB3 GLU 5 2HB GLU 5 -11.342 3.639 5.137
39 HG2 GLU 5 1HG GLU 5 -11.645 6.086 3.409
40 HG3 GLU 5 2HG GLU 5 -11.010 6.051 5.053
41 H SER 6 H SER 6 -14.506 3.001 3.539
42 HA SER 6 HA SER 6 -14.535 0.568 4.902
43 HB2 SER 6 1HB SER 6 -16.339 2.238 5.014
44 HB3 SER 6 2HB SER 6 -16.744 1.912 3.333
45 HG SER 6 HG SER 6 -17.884 0.849 5.218
46 H SER 7 H SER 7 -13.854 -1.252 4.105
47 HA SER 7 HA SER 7 -13.658 -3.135 2.950
48 HB2 SER 7 1HB SER 7 -16.175 -2.912 2.736
49 HB3 SER 7 2HB SER 7 -15.915 -2.149 1.173
50 HG SER 7 HG SER 7 -14.891 -4.096 0.495
51 H GLN 8 H GLN 8 -12.449 -0.443 2.092
52 HA GLN 8 HA GLN 8 -11.833 -1.105 -0.689
53 HB2 GLN 8 1HB GLN 8 -11.328 1.425 0.860
54 HB3 GLN 8 2HB GLN 8 -10.714 1.137 -0.754
55 HG2 GLN 8 1HG GLN 8 -13.070 0.871 -1.519
56 HG3 GLN 8 2HG GLN 8 -13.591 1.370 0.094
57 HE21 GLN 8 2HE2 GLN 8 -14.031 2.665 -2.471
58 HE22 GLN 8 1HE2 GLN 8 -13.325 4.239 -2.342
59 H TYR 9 H TYR 9 -10.573 -1.901 2.201
60 HA TYR 9 HA TYR 9 -7.851 -1.330 1.425
61 HB2 TYR 9 1HB TYR 9 -8.766 -2.775 3.999
62 HB3 TYR 9 2HB TYR 9 -7.164 -2.497 3.477
63 HD1 TYR 9 HD1 TYR 9 -9.941 0.011 3.353
64 HD2 TYR 9 HD2 TYR 9 -6.219 -1.171 5.006
65 HE1 TYR 9 HE1 TYR 9 -9.727 2.196 4.477
66 HE2 TYR 9 HE2 TYR 9 -6.000 0.980 6.109
67 HH TYR 9 HH TYR 9 -8.569 3.177 6.289
68 H ILE 10 H ILE 10 -6.363 -2.772 0.795
69 HA ILE 10 HA ILE 10 -7.190 -5.543 0.505
70 HB ILE 10 HB ILE 10 -6.424 -5.808 -1.708
71 HG12 ILE 10 1HG1 ILE 10 -4.342 -4.514 -1.679
72 HG13 ILE 10 2HG1 ILE 10 -5.284 -4.107 -3.100
73 HG21 ILE 10 1HG2 ILE 10 -7.684 -4.236 -3.109
74 HG22 ILE 10 2HG2 ILE 10 -7.960 -3.244 -1.675
75 HG23 ILE 10 3HG2 ILE 10 -8.591 -4.886 -1.745
76 HD11 ILE 10 3HD1 ILE 10 -4.251 -2.150 -2.170
77 HD12 ILE 10 1HD1 ILE 10 -4.991 -2.491 -0.602
78 HD13 ILE 10 2HD1 ILE 10 -6.008 -2.058 -1.973
79 H HIS 11 H HIS 11 -5.276 -6.865 -0.044
80 HA HIS 11 HA HIS 11 -3.303 -6.429 1.969
81 HB2 HIS 11 1HB HIS 11 -4.118 -8.668 1.509
82 HB3 HIS 11 2HB HIS 11 -3.626 -8.545 -0.168
83 HD1 HIS 11 HD1 HIS 11 -2.295 -9.200 3.266
84 HD2 HIS 11 HD2 HIS 11 -0.936 -9.083 -0.656
85 HE1 HIS 11 HE1 HIS 11 -0.027 -10.288 3.299
86 HE2 HIS 11 HE2 HIS 11 0.762 -10.217 0.884
87 H CYS 12 H CYS 12 -1.689 -4.997 1.665
88 HA CYS 12 HA CYS 12 -0.664 -4.302 -0.873
89 HB2 CYS 12 1HB CYS 12 -0.442 -2.785 1.112
90 HB3 CYS 12 2HB CYS 12 0.594 -4.002 1.864
91 H GLU 13 H GLU 13 0.819 -5.235 -1.902
92 HA GLU 13 HA GLU 13 1.792 -7.887 -1.114
93 HB2 GLU 13 1HB GLU 13 2.255 -6.366 -3.680
94 HB3 GLU 13 2HB GLU 13 2.466 -8.090 -3.420
95 HG2 GLU 13 1HG GLU 13 0.087 -8.379 -3.151
96 HG3 GLU 13 2HG GLU 13 -0.160 -6.639 -3.269
97 H ASN 14 H ASN 14 2.679 -4.789 -0.862
98 HA ASN 14 HA ASN 14 5.502 -5.255 -1.274
99 HB2 ASN 14 1HB ASN 14 3.825 -2.798 -1.297
100 HB3 ASN 14 2HB ASN 14 5.582 -2.654 -1.025
101 HD21 ASN 14 2HD2 ASN 14 3.024 -3.433 -3.279
102 HD22 ASN 14 1HD2 ASN 14 4.041 -3.509 -4.657
103 H CYS 15 H CYS 15 3.317 -4.883 1.302
104 HA CYS 15 HA CYS 15 5.581 -5.389 3.052
105 HB2 CYS 15 1HB CYS 15 4.804 -3.781 4.798
106 HB3 CYS 15 2HB CYS 15 5.396 -2.975 3.337
107 H GLY 16 H GLY 16 2.732 -6.414 2.024
108 HA2 GLY 16 1HA GLY 16 1.216 -7.924 2.810
109 HA3 GLY 16 2HA GLY 16 2.321 -8.165 4.157
110 H ARG 17 H ARG 17 0.706 -5.186 3.277
111 HA ARG 17 HA ARG 17 -0.582 -5.327 5.916
112 HB2 ARG 17 1HB ARG 17 1.234 -3.819 6.132
113 HB3 ARG 17 2HB ARG 17 0.829 -2.940 4.682
114 HG2 ARG 17 1HG ARG 17 -1.247 -2.188 5.800
115 HG3 ARG 17 2HG ARG 17 -0.736 -3.038 7.258
116 HD2 ARG 17 1HD ARG 17 1.236 -1.638 7.404
117 HD3 ARG 17 2HD ARG 17 0.779 -0.808 5.910
118 HE ARG 17 HE ARG 17 -1.264 -0.719 7.898
119 HH11 ARG 17 1HH1 ARG 17 1.761 0.918 6.875
120 HH12 ARG 17 2HH1 ARG 17 1.326 2.400 7.600
121 HH21 ARG 17 1HH2 ARG 17 -1.760 1.348 8.939
122 HH22 ARG 17 2HH2 ARG 17 -0.649 2.632 8.808
123 H ASP 18 H ASP 18 -2.573 -4.304 6.168
124 HA ASP 18 HA ASP 18 -4.318 -4.441 3.901
125 HB2 ASP 18 1HB ASP 18 -4.863 -5.299 6.175
126 HB3 ASP 18 2HB ASP 18 -4.656 -3.589 6.694
127 H VAL 19 H VAL 19 -4.154 -2.749 2.682
128 HA VAL 19 HA VAL 19 -4.335 -0.047 3.873
129 HB VAL 19 HB VAL 19 -2.538 -0.782 1.537
130 HG11 VAL 19 1HG1 VAL 19 -1.663 1.500 1.760
131 HG12 VAL 19 2HG1 VAL 19 -2.844 1.826 3.025
132 HG13 VAL 19 3HG1 VAL 19 -3.383 1.502 1.378
133 HG21 VAL 19 3HG2 VAL 19 -0.667 -0.503 3.037
134 HG22 VAL 19 1HG2 VAL 19 -1.820 -1.653 3.731
135 HG23 VAL 19 2HG2 VAL 19 -1.764 -0.018 4.350
136 H SER 20 H SER 20 -5.493 1.474 2.700
137 HA SER 20 HA SER 20 -7.687 0.602 1.203
138 HB2 SER 20 1HB SER 20 -7.538 2.756 2.530
139 HB3 SER 20 2HB SER 20 -6.459 3.364 1.305
140 HG SER 20 HG SER 20 -8.897 3.769 1.264
141 H ALA 21 H ALA 21 -7.871 0.105 -0.893
142 HA ALA 21 HA ALA 21 -5.718 -0.127 -2.664
143 HB1 ALA 21 3HB ALA 21 -7.806 -1.444 -2.819
144 HB2 ALA 21 1HB ALA 21 -7.380 -0.672 -4.348
145 HB3 ALA 21 2HB ALA 21 -8.654 0.007 -3.340
146 H ASN 22 H ASN 22 -7.947 2.375 -2.112
147 HA ASN 22 HA ASN 22 -7.371 3.796 -4.578
148 HB2 ASN 22 1HB ASN 22 -9.570 4.033 -3.459
149 HB3 ASN 22 2HB ASN 22 -8.784 4.812 -2.096
150 HD21 ASN 22 2HD2 ASN 22 -8.013 5.406 -5.519
151 HD22 ASN 22 1HD2 ASN 22 -8.565 7.036 -5.508
152 H ARG 23 H ARG 23 -6.117 3.757 -1.388
153 HA ARG 23 HA ARG 23 -4.510 6.192 -1.807
154 HB2 ARG 23 1HB ARG 23 -5.163 4.563 0.643
155 HB3 ARG 23 2HB ARG 23 -3.947 5.788 0.688
156 HG2 ARG 23 1HG ARG 23 -6.041 6.564 1.668
157 HG3 ARG 23 2HG ARG 23 -5.633 7.511 0.249
158 HD2 ARG 23 1HD ARG 23 -7.372 6.582 -1.003
159 HD3 ARG 23 2HD ARG 23 -7.481 5.163 0.034
160 HE ARG 23 HE ARG 23 -8.824 6.256 1.446
161 HH11 ARG 23 1HH1 ARG 23 -7.568 8.645 -0.876
162 HH12 ARG 23 2HH1 ARG 23 -8.621 9.883 -0.416
163 HH21 ARG 23 1HH2 ARG 23 -10.271 7.955 2.093
164 HH22 ARG 23 2HH2 ARG 23 -10.198 9.495 1.355
165 H LEU 24 H LEU 24 -4.289 3.053 -2.493
166 HA LEU 24 HA LEU 24 -2.019 2.099 -1.161
167 HB2 LEU 24 1HB LEU 24 -3.834 0.834 -2.508
168 HB3 LEU 24 2HB LEU 24 -2.845 1.174 -3.903
169 HG LEU 24 HG LEU 24 -2.563 -1.106 -3.075
170 HD11 LEU 24 1HD1 LEU 24 -0.670 -0.350 -4.249
171 HD12 LEU 24 2HD1 LEU 24 -0.026 -1.139 -2.790
172 HD13 LEU 24 3HD1 LEU 24 -0.127 0.600 -2.882
173 HD21 LEU 24 3HD2 LEU 24 -1.470 0.133 -0.559
174 HD22 LEU 24 1HD2 LEU 24 -1.435 -1.582 -0.961
175 HD23 LEU 24 2HD2 LEU 24 -2.982 -0.764 -0.720
176 H ALA 25 H ALA 25 -2.403 3.833 -4.148
177 HA ALA 25 HA ALA 25 0.173 3.654 -5.165
178 HB1 ALA 25 3HB ALA 25 -1.748 4.645 -6.352
179 HB2 ALA 25 1HB ALA 25 -0.289 5.640 -6.435
180 HB3 ALA 25 2HB ALA 25 -1.587 6.076 -5.327
181 H ALA 26 H ALA 26 -1.090 6.230 -3.034
182 HA ALA 26 HA ALA 26 1.362 7.614 -2.739
183 HB1 ALA 26 3HB ALA 26 0.271 8.695 -0.811
184 HB2 ALA 26 1HB ALA 26 -1.023 7.500 -0.884
185 HB3 ALA 26 2HB ALA 26 -0.799 8.644 -2.211
186 H HIS 27 H HIS 27 -0.258 5.125 -0.957
187 HA HIS 27 HA HIS 27 1.538 4.838 1.141
188 HB2 HIS 27 1HB HIS 27 -0.595 3.700 1.286
189 HB3 HIS 27 2HB HIS 27 -0.272 2.836 -0.199
190 HD1 HIS 27 HD1 HIS 27 0.989 2.895 3.388
191 HD2 HIS 27 HD2 HIS 27 1.052 0.539 -0.010
192 HE1 HIS 27 HE1 HIS 27 2.198 0.808 4.056
193 H LEU 28 H LEU 28 1.505 3.333 -2.073
194 HA LEU 28 HA LEU 28 3.751 1.710 -1.598
195 HB2 LEU 28 1HB LEU 28 1.950 2.155 -3.772
196 HB3 LEU 28 2HB LEU 28 3.631 2.341 -4.295
197 HG LEU 28 HG LEU 28 2.563 0.020 -4.535
198 HD11 LEU 28 1HD1 LEU 28 4.902 0.470 -4.916
199 HD12 LEU 28 2HD1 LEU 28 4.757 -1.016 -3.966
200 HD13 LEU 28 3HD1 LEU 28 5.193 0.513 -3.184
201 HD21 LEU 28 3HD2 LEU 28 2.605 -1.401 -2.636
202 HD22 LEU 28 1HD2 LEU 28 1.717 0.030 -2.143
203 HD23 LEU 28 2HD2 LEU 28 3.389 -0.194 -1.625
204 H GLN 29 H GLN 29 3.366 4.962 -2.680
205 HA GLN 29 HA GLN 29 6.003 5.323 -3.567
206 HB2 GLN 29 1HB GLN 29 4.215 7.354 -2.209
207 HB3 GLN 29 2HB GLN 29 5.660 7.716 -3.137
208 HG2 GLN 29 1HG GLN 29 3.068 6.585 -4.164
209 HG3 GLN 29 2HG GLN 29 3.735 8.186 -4.482
210 HE21 GLN 29 2HE2 GLN 29 3.777 4.831 -5.346
211 HE22 GLN 29 1HE2 GLN 29 4.862 4.988 -6.674
212 H ARG 30 H ARG 30 4.477 5.643 -0.394
213 HA ARG 30 HA ARG 30 6.956 6.321 0.954
214 HB2 ARG 30 1HB ARG 30 4.538 6.877 1.600
215 HB3 ARG 30 2HB ARG 30 4.485 5.240 2.228
216 HG2 ARG 30 1HG ARG 30 6.195 5.684 3.796
217 HG3 ARG 30 2HG ARG 30 6.570 7.225 3.027
218 HD2 ARG 30 1HD ARG 30 4.010 6.517 4.412
219 HD3 ARG 30 2HD ARG 30 5.284 7.577 5.043
220 HE ARG 30 HE ARG 30 4.191 8.341 2.477
221 HH11 ARG 30 1HH1 ARG 30 4.020 8.865 5.955
222 HH12 ARG 30 2HH1 ARG 30 3.149 10.312 5.846
223 HH21 ARG 30 1HH2 ARG 30 3.007 10.291 2.274
224 HH22 ARG 30 2HH2 ARG 30 2.554 11.171 3.654
225 H CYS 31 H CYS 31 5.066 3.436 0.501
226 HA CYS 31 HA CYS 31 6.379 1.685 2.160
227 HB2 CYS 31 1HB CYS 31 4.182 1.342 0.843
228 HB3 CYS 31 2HB CYS 31 5.203 0.975 -0.528
229 H LEU 32 H LEU 32 7.107 2.716 -1.164
230 HA LEU 32 HA LEU 32 9.429 0.983 -1.168
231 HB2 LEU 32 1HB LEU 32 7.565 1.796 -3.253
232 HB3 LEU 32 2HB LEU 32 9.249 1.898 -3.752
233 HG LEU 32 HG LEU 32 8.168 -0.267 -4.330
234 HD11 LEU 32 1HD1 LEU 32 10.574 -0.129 -4.033
235 HD12 LEU 32 2HD1 LEU 32 9.954 -1.696 -3.516
236 HD13 LEU 32 3HD1 LEU 32 10.402 -0.487 -2.314
237 HD21 LEU 32 3HD2 LEU 32 8.112 -0.708 -1.345
238 HD22 LEU 32 1HD2 LEU 32 7.699 -1.891 -2.581
239 HD23 LEU 32 2HD2 LEU 32 6.696 -0.458 -2.352
240 H SER 33 H SER 33 8.775 4.237 -0.675
241 HA SER 33 HA SER 33 11.333 5.195 -1.584
242 HB2 SER 33 1HB SER 33 9.331 6.679 -1.290
243 HB3 SER 33 2HB SER 33 9.393 6.382 0.440
244 HG SER 33 HG SER 33 11.661 7.219 0.171
245 H ARG 34 H ARG 34 10.543 3.038 0.605
246 HA ARG 34 HA ARG 34 12.774 3.548 2.430
247 HB2 ARG 34 1HB ARG 34 10.034 2.422 3.047
248 HB3 ARG 34 2HB ARG 34 11.380 2.453 4.171
249 HG2 ARG 34 1HG ARG 34 11.304 4.822 4.329
250 HG3 ARG 34 2HG ARG 34 10.173 4.938 2.973
251 HD2 ARG 34 1HD ARG 34 9.064 5.217 5.152
252 HD3 ARG 34 2HD ARG 34 8.463 3.840 4.244
253 HE ARG 34 HE ARG 34 10.522 3.460 6.319
254 HH11 ARG 34 1HH1 ARG 34 7.194 2.807 5.205
255 HH12 ARG 34 2HH1 ARG 34 6.970 1.524 6.283
256 HH21 ARG 34 1HH2 ARG 34 10.169 1.702 7.771
257 HH22 ARG 34 2HH2 ARG 34 8.670 0.889 7.775
258 H GLY 35 H GLY 35 13.456 1.376 3.357
259 HA2 GLY 35 1HA GLY 35 12.808 -1.102 2.865
260 HA3 GLY 35 2HA GLY 35 13.332 -0.632 1.250
261 H ALA 36 H ALA 36 15.463 -0.294 0.838
262 HA ALA 36 HA ALA 36 17.373 -1.762 2.261
263 HB1 ALA 36 3HB ALA 36 17.584 -1.159 -0.124
264 HB2 ALA 36 1HB ALA 36 19.022 -0.715 0.797
265 HB3 ALA 36 2HB ALA 36 17.849 0.521 0.340
266 H ARG 37 H ARG 37 16.888 1.706 2.068
267 HA ARG 37 HA ARG 37 17.477 2.149 4.804
268 HB2 ARG 37 1HB ARG 37 19.817 2.019 3.852
269 HB3 ARG 37 2HB ARG 37 19.403 3.333 2.762
270 HG2 ARG 37 1HG ARG 37 19.052 4.820 4.662
271 HG3 ARG 37 2HG ARG 37 19.428 3.500 5.766
272 HD2 ARG 37 1HD ARG 37 21.310 4.686 3.726
273 HD3 ARG 37 2HD ARG 37 21.339 4.989 5.462
274 HE ARG 37 HE ARG 37 21.632 2.233 4.538
275 HH11 ARG 37 1HH1 ARG 37 23.183 5.082 6.005
276 HH12 ARG 37 2HH1 ARG 37 24.582 4.229 6.462
277 HH21 ARG 37 1HH2 ARG 37 23.515 1.121 5.141
278 HH22 ARG 37 2HH2 ARG 37 24.795 1.922 5.948
279 H ARG 38 H ARG 38 17.533 3.592 1.611
280 HA ARG 38 HA ARG 38 15.217 5.191 2.373
281 HB2 ARG 38 1HB ARG 38 17.477 5.952 0.493
282 HB3 ARG 38 2HB ARG 38 16.022 6.896 0.734
283 HG2 ARG 38 1HG ARG 38 16.693 7.249 3.087
284 HG3 ARG 38 2HG ARG 38 18.190 6.371 2.755
285 HD2 ARG 38 1HD ARG 38 18.574 8.762 2.592
286 HD3 ARG 38 2HD ARG 38 18.748 8.011 1.009
287 HE ARG 38 HE ARG 38 16.257 9.348 1.819
288 HH11 ARG 38 1HH1 ARG 38 18.819 8.901 -0.586
289 HH12 ARG 38 2HH1 ARG 38 18.192 10.058 -1.668
290 HH21 ARG 38 1HH2 ARG 38 15.417 10.911 0.376
291 HH22 ARG 38 2HH2 ARG 38 16.196 11.294 -1.085
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -17.350 14.236 3.954
2 H2 GLY 1 2H GLY 1 -17.863 13.716 2.425
3 H3 GLY 1 3H GLY 1 -16.294 14.323 2.627
4 HA2 GLY 1 1HA GLY 1 -16.349 11.899 2.460
5 HA3 GLY 1 2HA GLY 1 -15.722 12.464 4.009
6 H LYS 2 H LYS 2 -16.570 9.988 4.184
7 HA LYS 2 HA LYS 2 -18.712 10.274 5.969
8 HB2 LYS 2 1HB LYS 2 -20.230 8.539 5.015
9 HB3 LYS 2 2HB LYS 2 -20.148 9.979 4.032
10 HG2 LYS 2 1HG LYS 2 -18.552 7.506 3.405
11 HG3 LYS 2 2HG LYS 2 -20.201 7.745 2.833
12 HD2 LYS 2 1HD LYS 2 -19.508 9.785 1.681
13 HD3 LYS 2 2HD LYS 2 -17.864 9.577 2.277
14 HE2 LYS 2 1HE LYS 2 -19.344 7.646 0.496
15 HE3 LYS 2 2HE LYS 2 -18.143 8.817 -0.047
16 HZ1 LYS 2 3HZ LYS 2 -17.582 6.629 1.898
17 HZ2 LYS 2 1HZ LYS 2 -16.455 7.672 1.170
18 HZ3 LYS 2 2HZ LYS 2 -17.321 6.557 0.238
19 H GLN 3 H GLN 3 -19.176 8.228 7.110
20 HA GLN 3 HA GLN 3 -16.716 7.049 7.899
21 HB2 GLN 3 1HB GLN 3 -19.557 6.381 8.685
22 HB3 GLN 3 2HB GLN 3 -18.126 5.711 9.447
23 HG2 GLN 3 1HG GLN 3 -17.452 7.924 10.184
24 HG3 GLN 3 2HG GLN 3 -18.840 8.632 9.366
25 HE21 GLN 3 2HE2 GLN 3 -18.980 5.606 11.159
26 HE22 GLN 3 1HE2 GLN 3 -19.966 6.231 12.430
27 H GLN 4 H GLN 4 -19.264 6.061 5.776
28 HA GLN 4 HA GLN 4 -18.267 3.365 5.604
29 HB2 GLN 4 1HB GLN 4 -20.445 4.794 4.106
30 HB3 GLN 4 2HB GLN 4 -19.943 3.157 3.714
31 HG2 GLN 4 1HG GLN 4 -21.006 4.056 6.384
32 HG3 GLN 4 2HG GLN 4 -21.932 3.203 5.152
33 HE21 GLN 4 2HE2 GLN 4 -19.497 2.930 7.601
34 HE22 GLN 4 1HE2 GLN 4 -19.401 1.207 7.588
35 H GLU 5 H GLU 5 -17.415 2.374 3.795
36 HA GLU 5 HA GLU 5 -16.140 2.044 2.003
37 HB2 GLU 5 1HB GLU 5 -16.588 4.958 1.340
38 HB3 GLU 5 2HB GLU 5 -15.685 3.839 0.330
39 HG2 GLU 5 1HG GLU 5 -17.701 2.509 0.006
40 HG3 GLU 5 2HG GLU 5 -18.602 3.631 1.034
41 H SER 6 H SER 6 -15.383 3.353 4.643
42 HA SER 6 HA SER 6 -12.732 4.319 4.096
43 HB2 SER 6 1HB SER 6 -12.584 4.141 6.633
44 HB3 SER 6 2HB SER 6 -13.842 5.225 6.030
45 HG SER 6 HG SER 6 -15.184 4.056 7.107
46 H SER 7 H SER 7 -14.413 1.426 4.917
47 HA SER 7 HA SER 7 -11.975 -0.070 5.184
48 HB2 SER 7 1HB SER 7 -13.916 -0.527 6.726
49 HB3 SER 7 2HB SER 7 -14.846 -1.043 5.323
50 HG SER 7 HG SER 7 -13.764 -2.824 5.205
51 H GLN 8 H GLN 8 -11.410 0.568 3.097
52 HA GLN 8 HA GLN 8 -12.361 -1.339 1.102
53 HB2 GLN 8 1HB GLN 8 -13.220 1.074 0.701
54 HB3 GLN 8 2HB GLN 8 -11.514 1.470 0.477
55 HG2 GLN 8 1HG GLN 8 -11.362 0.060 -1.450
56 HG3 GLN 8 2HG GLN 8 -12.997 -0.550 -1.188
57 HE21 GLN 8 2HE2 GLN 8 -11.087 2.133 -2.254
58 HE22 GLN 8 1HE2 GLN 8 -12.369 3.028 -2.978
59 H TYR 9 H TYR 9 -10.571 -2.298 2.266
60 HA TYR 9 HA TYR 9 -7.952 -1.170 1.617
61 HB2 TYR 9 1HB TYR 9 -8.643 -3.320 3.627
62 HB3 TYR 9 2HB TYR 9 -7.074 -2.601 3.355
63 HD1 TYR 9 HD2 TYR 9 -6.603 -0.324 4.116
64 HD2 TYR 9 HD1 TYR 9 -10.326 -2.169 4.946
65 HE1 TYR 9 HE2 TYR 9 -7.027 1.346 5.858
66 HE2 TYR 9 HE1 TYR 9 -10.755 -0.511 6.708
67 HH TYR 9 HH TYR 9 -9.590 0.966 8.096
68 H ILE 10 H ILE 10 -6.365 -2.478 0.758
69 HA ILE 10 HA ILE 10 -7.172 -5.033 -0.284
70 HB ILE 10 HB ILE 10 -7.185 -3.222 -2.067
71 HG12 ILE 10 1HG1 ILE 10 -5.736 -4.423 -3.684
72 HG13 ILE 10 2HG1 ILE 10 -5.076 -5.354 -2.338
73 HG21 ILE 10 1HG2 ILE 10 -5.089 -2.251 -2.831
74 HG22 ILE 10 2HG2 ILE 10 -4.241 -3.046 -1.505
75 HG23 ILE 10 3HG2 ILE 10 -5.439 -1.802 -1.157
76 HD11 ILE 10 3HD1 ILE 10 -6.805 -6.613 -3.461
77 HD12 ILE 10 1HD1 ILE 10 -7.932 -5.264 -3.207
78 HD13 ILE 10 2HD1 ILE 10 -7.296 -6.135 -1.823
79 H HIS 11 H HIS 11 -5.281 -6.470 -0.324
80 HA HIS 11 HA HIS 11 -3.426 -5.663 1.709
81 HB2 HIS 11 1HB HIS 11 -2.639 -7.892 1.841
82 HB3 HIS 11 2HB HIS 11 -4.342 -8.068 1.474
83 HD1 HIS 11 HD1 HIS 11 -1.055 -9.106 0.441
84 HD2 HIS 11 HD2 HIS 11 -4.765 -8.797 -1.386
85 HE1 HIS 11 HE1 HIS 11 -0.883 -10.472 -1.656
86 HE2 HIS 11 HE2 HIS 11 -3.233 -10.521 -2.528
87 H CYS 12 H CYS 12 -1.544 -4.824 1.446
88 HA CYS 12 HA CYS 12 -0.426 -4.289 -1.134
89 HB2 CYS 12 1HB CYS 12 -0.297 -2.733 0.864
90 HB3 CYS 12 2HB CYS 12 0.659 -3.991 1.658
91 H GLU 13 H GLU 13 1.329 -5.446 -1.931
92 HA GLU 13 HA GLU 13 2.021 -7.874 -0.444
93 HB2 GLU 13 1HB GLU 13 2.962 -8.732 -2.518
94 HB3 GLU 13 2HB GLU 13 1.322 -8.181 -2.822
95 HG2 GLU 13 1HG GLU 13 3.801 -6.595 -3.478
96 HG3 GLU 13 2HG GLU 13 2.969 -7.645 -4.616
97 H ASN 14 H ASN 14 2.912 -4.830 -0.991
98 HA ASN 14 HA ASN 14 5.747 -5.244 -1.017
99 HB2 ASN 14 1HB ASN 14 3.995 -2.876 -1.419
100 HB3 ASN 14 2HB ASN 14 5.642 -2.581 -0.836
101 HD21 ASN 14 2HD2 ASN 14 3.716 -3.953 -3.490
102 HD22 ASN 14 1HD2 ASN 14 5.041 -3.932 -4.598
103 H CYS 15 H CYS 15 3.409 -4.634 1.366
104 HA CYS 15 HA CYS 15 5.560 -5.148 3.255
105 HB2 CYS 15 1HB CYS 15 4.555 -3.603 4.952
106 HB3 CYS 15 2HB CYS 15 5.246 -2.760 3.563
107 H GLY 16 H GLY 16 2.960 -6.306 1.937
108 HA2 GLY 16 1HA GLY 16 1.392 -7.845 2.450
109 HA3 GLY 16 2HA GLY 16 2.408 -8.243 3.830
110 H ARG 17 H ARG 17 0.706 -5.244 3.129
111 HA ARG 17 HA ARG 17 -0.652 -5.639 5.682
112 HB2 ARG 17 1HB ARG 17 1.208 -4.107 5.900
113 HB3 ARG 17 2HB ARG 17 0.572 -3.074 4.643
114 HG2 ARG 17 1HG ARG 17 0.105 -2.096 6.764
115 HG3 ARG 17 2HG ARG 17 -1.404 -2.697 6.055
116 HD2 ARG 17 1HD ARG 17 -1.233 -3.230 8.471
117 HD3 ARG 17 2HD ARG 17 -1.332 -4.672 7.459
118 HE ARG 17 HE ARG 17 1.327 -3.756 8.206
119 HH11 ARG 17 1HH1 ARG 17 -1.285 -6.085 8.853
120 HH12 ARG 17 2HH1 ARG 17 -0.285 -7.140 9.736
121 HH21 ARG 17 1HH2 ARG 17 2.648 -5.192 9.410
122 HH22 ARG 17 2HH2 ARG 17 1.998 -6.620 10.074
123 H ASP 18 H ASP 18 -2.710 -4.982 5.862
124 HA ASP 18 HA ASP 18 -4.413 -4.735 3.591
125 HB2 ASP 18 1HB ASP 18 -4.921 -5.959 5.720
126 HB3 ASP 18 2HB ASP 18 -4.716 -4.368 6.492
127 H VAL 19 H VAL 19 -4.133 -2.805 2.644
128 HA VAL 19 HA VAL 19 -4.413 -0.326 4.260
129 HB VAL 19 HB VAL 19 -2.506 -0.725 1.921
130 HG11 VAL 19 1HG1 VAL 19 -1.614 1.484 2.455
131 HG12 VAL 19 2HG1 VAL 19 -2.802 1.669 3.739
132 HG13 VAL 19 3HG1 VAL 19 -3.330 1.596 2.057
133 HG21 VAL 19 3HG2 VAL 19 -1.901 -0.362 4.838
134 HG22 VAL 19 1HG2 VAL 19 -0.714 -0.634 3.553
135 HG23 VAL 19 2HG2 VAL 19 -1.909 -1.890 4.004
136 H SER 20 H SER 20 -5.377 1.533 3.075
137 HA SER 20 HA SER 20 -7.678 0.836 1.657
138 HB2 SER 20 1HB SER 20 -7.396 2.963 2.925
139 HB3 SER 20 2HB SER 20 -6.241 3.492 1.727
140 HG SER 20 HG SER 20 -8.982 3.394 1.598
141 H ALA 21 H ALA 21 -8.087 0.415 -0.316
142 HA ALA 21 HA ALA 21 -6.096 -0.086 -2.234
143 HB1 ALA 21 3HB ALA 21 -8.227 -1.259 -2.137
144 HB2 ALA 21 1HB ALA 21 -7.927 -0.571 -3.732
145 HB3 ALA 21 2HB ALA 21 -9.057 0.217 -2.627
146 H ASN 22 H ASN 22 -7.988 2.698 -1.569
147 HA ASN 22 HA ASN 22 -7.475 3.959 -4.128
148 HB2 ASN 22 1HB ASN 22 -9.625 4.385 -3.048
149 HB3 ASN 22 2HB ASN 22 -8.805 4.978 -1.611
150 HD21 ASN 22 2HD2 ASN 22 -8.244 7.121 -1.507
151 HD22 ASN 22 1HD2 ASN 22 -8.493 8.230 -2.795
152 H ARG 23 H ARG 23 -5.947 3.709 -1.131
153 HA ARG 23 HA ARG 23 -4.345 6.139 -1.558
154 HB2 ARG 23 1HB ARG 23 -4.824 4.439 0.858
155 HB3 ARG 23 2HB ARG 23 -3.762 5.805 0.901
156 HG2 ARG 23 1HG ARG 23 -5.684 7.259 0.297
157 HG3 ARG 23 2HG ARG 23 -6.726 5.835 0.372
158 HD2 ARG 23 1HD ARG 23 -5.981 5.526 2.740
159 HD3 ARG 23 2HD ARG 23 -5.142 7.071 2.608
160 HE ARG 23 HE ARG 23 -7.714 7.512 1.782
161 HH11 ARG 23 1HH1 ARG 23 -6.087 6.594 4.801
162 HH12 ARG 23 2HH1 ARG 23 -7.337 7.151 5.810
163 HH21 ARG 23 1HH2 ARG 23 -9.435 8.257 3.188
164 HH22 ARG 23 2HH2 ARG 23 -9.285 8.067 4.883
165 H LEU 24 H LEU 24 -4.235 3.064 -2.401
166 HA LEU 24 HA LEU 24 -1.920 2.055 -1.116
167 HB2 LEU 24 1HB LEU 24 -3.921 0.846 -2.345
168 HB3 LEU 24 2HB LEU 24 -2.836 0.915 -3.710
169 HG LEU 24 HG LEU 24 -2.722 -1.238 -2.660
170 HD11 LEU 24 1HD1 LEU 24 -0.200 0.293 -2.111
171 HD12 LEU 24 2HD1 LEU 24 -0.613 -0.539 -3.602
172 HD13 LEU 24 3HD1 LEU 24 -0.285 -1.458 -2.140
173 HD21 LEU 24 3HD2 LEU 24 -1.934 -1.574 -0.370
174 HD22 LEU 24 1HD2 LEU 24 -3.445 -0.670 -0.434
175 HD23 LEU 24 2HD2 LEU 24 -1.926 0.171 -0.124
176 H ALA 25 H ALA 25 -2.453 3.575 -4.212
177 HA ALA 25 HA ALA 25 0.093 3.146 -5.343
178 HB1 ALA 25 3HB ALA 25 -0.416 4.973 -6.856
179 HB2 ALA 25 1HB ALA 25 -1.710 5.530 -5.796
180 HB3 ALA 25 2HB ALA 25 -1.845 3.976 -6.613
181 H ALA 26 H ALA 26 -1.100 5.968 -3.557
182 HA ALA 26 HA ALA 26 1.348 7.371 -3.367
183 HB1 ALA 26 3HB ALA 26 0.249 8.587 -1.537
184 HB2 ALA 26 1HB ALA 26 -1.017 7.362 -1.492
185 HB3 ALA 26 2HB ALA 26 -0.843 8.388 -2.910
186 H HIS 27 H HIS 27 -0.242 4.988 -1.434
187 HA HIS 27 HA HIS 27 1.474 4.840 0.743
188 HB2 HIS 27 1HB HIS 27 -0.656 3.633 0.859
189 HB3 HIS 27 2HB HIS 27 -0.219 2.740 -0.577
190 HD1 HIS 27 HD1 HIS 27 0.753 2.908 3.078
191 HD2 HIS 27 HD2 HIS 27 1.174 0.516 -0.263
192 HE1 HIS 27 HE1 HIS 27 1.945 0.854 3.880
193 H LEU 28 H LEU 28 1.579 3.193 -2.413
194 HA LEU 28 HA LEU 28 3.829 1.638 -1.765
195 HB2 LEU 28 1HB LEU 28 2.206 1.982 -4.092
196 HB3 LEU 28 2HB LEU 28 3.912 2.215 -4.493
197 HG LEU 28 HG LEU 28 3.098 -0.113 -4.826
198 HD11 LEU 28 1HD1 LEU 28 5.466 0.386 -4.596
199 HD12 LEU 28 2HD1 LEU 28 5.082 -1.147 -3.815
200 HD13 LEU 28 3HD1 LEU 28 5.334 0.299 -2.840
201 HD21 LEU 28 3HD2 LEU 28 2.801 -1.534 -2.868
202 HD22 LEU 28 1HD2 LEU 28 1.635 -0.217 -2.861
203 HD23 LEU 28 2HD2 LEU 28 3.022 -0.147 -1.798
204 H GLN 29 H GLN 29 3.449 4.815 -3.116
205 HA GLN 29 HA GLN 29 6.169 5.232 -3.749
206 HB2 GLN 29 1HB GLN 29 4.216 7.285 -2.676
207 HB3 GLN 29 2HB GLN 29 5.748 7.648 -3.446
208 HG2 GLN 29 1HG GLN 29 3.308 6.433 -4.718
209 HG3 GLN 29 2HG GLN 29 3.987 8.032 -5.010
210 HE21 GLN 29 2HE2 GLN 29 4.172 4.693 -5.706
211 HE22 GLN 29 1HE2 GLN 29 5.379 4.779 -6.933
212 H ARG 30 H ARG 30 4.393 5.609 -0.746
213 HA ARG 30 HA ARG 30 6.614 6.504 0.820
214 HB2 ARG 30 1HB ARG 30 4.286 7.035 1.301
215 HB3 ARG 30 2HB ARG 30 3.962 5.335 1.588
216 HG2 ARG 30 1HG ARG 30 5.313 5.322 3.529
217 HG3 ARG 30 2HG ARG 30 5.945 6.935 3.170
218 HD2 ARG 30 1HD ARG 30 3.079 6.277 3.653
219 HD3 ARG 30 2HD ARG 30 4.185 6.941 4.884
220 HE ARG 30 HE ARG 30 4.458 8.733 3.021
221 HH11 ARG 30 1HH1 ARG 30 1.410 7.280 4.097
222 HH12 ARG 30 2HH1 ARG 30 0.470 8.640 3.714
223 HH21 ARG 30 1HH2 ARG 30 3.156 10.577 2.455
224 HH22 ARG 30 2HH2 ARG 30 1.490 10.566 2.741
225 H CYS 31 H CYS 31 4.958 3.446 0.376
226 HA CYS 31 HA CYS 31 6.191 1.876 2.221
227 HB2 CYS 31 1HB CYS 31 4.151 1.356 0.761
228 HB3 CYS 31 2HB CYS 31 5.276 0.967 -0.522
229 H LEU 32 H LEU 32 7.062 2.530 -1.160
230 HA LEU 32 HA LEU 32 9.337 0.819 -1.169
231 HB2 LEU 32 1HB LEU 32 7.739 1.812 -3.125
232 HB3 LEU 32 2HB LEU 32 9.002 3.009 -3.157
233 HG LEU 32 HG LEU 32 9.400 1.353 -4.871
234 HD11 LEU 32 1HD1 LEU 32 11.671 0.680 -4.376
235 HD12 LEU 32 2HD1 LEU 32 11.412 1.030 -2.670
236 HD13 LEU 32 3HD1 LEU 32 11.375 2.338 -3.849
237 HD21 LEU 32 3HD2 LEU 32 9.870 -0.983 -4.335
238 HD22 LEU 32 1HD2 LEU 32 8.228 -0.528 -3.888
239 HD23 LEU 32 2HD2 LEU 32 9.474 -0.681 -2.647
240 H SER 33 H SER 33 8.830 4.385 -0.995
241 HA SER 33 HA SER 33 11.528 5.125 -1.003
242 HB2 SER 33 1HB SER 33 9.693 6.710 -1.416
243 HB3 SER 33 2HB SER 33 9.170 6.550 0.255
244 HG SER 33 HG SER 33 11.634 7.201 0.487
245 H ARG 34 H ARG 34 9.586 3.876 1.601
246 HA ARG 34 HA ARG 34 11.553 4.671 3.568
247 HB2 ARG 34 1HB ARG 34 8.947 3.184 3.812
248 HB3 ARG 34 2HB ARG 34 10.025 3.470 5.175
249 HG2 ARG 34 1HG ARG 34 9.801 5.850 4.921
250 HG3 ARG 34 2HG ARG 34 8.854 5.641 3.453
251 HD2 ARG 34 1HD ARG 34 7.439 6.175 5.379
252 HD3 ARG 34 2HD ARG 34 7.083 4.586 4.710
253 HE ARG 34 HE ARG 34 7.905 3.593 6.597
254 HH11 ARG 34 1HH1 ARG 34 8.481 7.105 6.811
255 HH12 ARG 34 2HH1 ARG 34 8.700 7.085 8.502
256 HH21 ARG 34 1HH2 ARG 34 8.143 3.629 8.954
257 HH22 ARG 34 2HH2 ARG 34 8.495 5.089 9.723
258 H GLY 35 H GLY 35 11.029 2.059 1.495
259 HA2 GLY 35 1HA GLY 35 12.065 0.039 1.226
260 HA3 GLY 35 2HA GLY 35 13.339 0.685 2.250
261 H ALA 36 H ALA 36 10.058 0.320 3.291
262 HA ALA 36 HA ALA 36 10.961 -1.701 5.206
263 HB1 ALA 36 3HB ALA 36 8.837 0.419 5.538
264 HB2 ALA 36 1HB ALA 36 10.432 0.425 6.291
265 HB3 ALA 36 2HB ALA 36 9.251 -0.810 6.734
266 H ARG 37 H ARG 37 10.175 -3.619 4.678
267 HA ARG 37 HA ARG 37 7.622 -3.708 3.275
268 HB2 ARG 37 1HB ARG 37 9.694 -5.890 3.610
269 HB3 ARG 37 2HB ARG 37 8.226 -6.013 2.641
270 HG2 ARG 37 1HG ARG 37 9.044 -4.048 1.327
271 HG3 ARG 37 2HG ARG 37 10.580 -4.199 2.172
272 HD2 ARG 37 1HD ARG 37 10.752 -5.297 0.043
273 HD3 ARG 37 2HD ARG 37 10.735 -6.521 1.312
274 HE ARG 37 HE ARG 37 8.665 -7.211 0.650
275 HH11 ARG 37 1HH1 ARG 37 9.626 -4.366 -1.283
276 HH12 ARG 37 2HH1 ARG 37 8.441 -4.590 -2.472
277 HH21 ARG 37 1HH2 ARG 37 7.021 -7.506 -1.023
278 HH22 ARG 37 2HH2 ARG 37 6.956 -6.428 -2.334
279 H ARG 38 H ARG 38 8.644 -3.664 6.201
280 HA ARG 38 HA ARG 38 6.341 -3.938 7.509
281 HB2 ARG 38 1HB ARG 38 6.467 -6.434 7.033
282 HB3 ARG 38 2HB ARG 38 7.966 -6.480 7.960
283 HG2 ARG 38 1HG ARG 38 6.733 -5.668 9.929
284 HG3 ARG 38 2HG ARG 38 5.241 -5.689 8.991
285 HD2 ARG 38 1HD ARG 38 5.360 -7.671 10.353
286 HD3 ARG 38 2HD ARG 38 5.555 -8.125 8.657
287 HE ARG 38 HE ARG 38 8.085 -7.865 9.431
288 HH11 ARG 38 1HH1 ARG 38 5.398 -9.572 11.025
289 HH12 ARG 38 2HH1 ARG 38 6.408 -10.714 11.769
290 HH21 ARG 38 1HH2 ARG 38 9.454 -9.477 10.466
291 HH22 ARG 38 2HH2 ARG 38 8.735 -10.683 11.413
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -11.642 -18.377 -5.645
2 H2 GLY 1 2H GLY 1 -11.674 -17.779 -4.057
3 H3 GLY 1 3H GLY 1 -11.146 -16.790 -5.309
4 HA2 GLY 1 1HA GLY 1 -13.310 -16.742 -6.266
5 HA3 GLY 1 2HA GLY 1 -13.873 -17.774 -4.957
6 H LYS 2 H LYS 2 -15.200 -16.324 -3.959
7 HA LYS 2 HA LYS 2 -14.130 -13.744 -3.206
8 HB2 LYS 2 1HB LYS 2 -16.860 -14.967 -2.754
9 HB3 LYS 2 2HB LYS 2 -16.408 -13.318 -2.332
10 HG2 LYS 2 1HG LYS 2 -15.977 -12.830 -4.686
11 HG3 LYS 2 2HG LYS 2 -16.423 -14.481 -5.101
12 HD2 LYS 2 1HD LYS 2 -18.676 -14.090 -4.266
13 HD3 LYS 2 2HD LYS 2 -18.218 -12.450 -3.801
14 HE2 LYS 2 1HE LYS 2 -19.429 -12.495 -5.933
15 HE3 LYS 2 2HE LYS 2 -17.790 -11.876 -6.113
16 HZ1 LYS 2 3HZ LYS 2 -18.436 -13.417 -7.872
17 HZ2 LYS 2 1HZ LYS 2 -18.654 -14.650 -6.745
18 HZ3 LYS 2 2HZ LYS 2 -17.115 -13.995 -7.011
19 H GLN 3 H GLN 3 -12.802 -13.843 -1.627
20 HA GLN 3 HA GLN 3 -13.484 -14.948 0.952
21 HB2 GLN 3 1HB GLN 3 -12.598 -16.832 -0.558
22 HB3 GLN 3 2HB GLN 3 -11.077 -15.962 -0.563
23 HG2 GLN 3 1HG GLN 3 -10.903 -16.246 1.853
24 HG3 GLN 3 2HG GLN 3 -12.433 -17.129 1.857
25 HE21 GLN 3 2HE2 GLN 3 -11.761 -18.423 -0.744
26 HE22 GLN 3 1HE2 GLN 3 -10.616 -19.642 -0.355
27 H GLN 4 H GLN 4 -13.075 -12.383 -0.056
28 HA GLN 4 HA GLN 4 -10.276 -11.670 0.147
29 HB2 GLN 4 1HB GLN 4 -10.945 -9.405 -0.398
30 HB3 GLN 4 2HB GLN 4 -11.633 -10.533 -1.550
31 HG2 GLN 4 1HG GLN 4 -13.793 -10.342 -0.579
32 HG3 GLN 4 2HG GLN 4 -13.156 -9.464 0.808
33 HE21 GLN 4 2HE2 GLN 4 -11.447 -7.728 -0.759
34 HE22 GLN 4 1HE2 GLN 4 -12.483 -6.633 -1.588
35 H GLU 5 H GLU 5 -9.624 -9.857 1.402
36 HA GLU 5 HA GLU 5 -10.925 -9.722 3.979
37 HB2 GLU 5 1HB GLU 5 -8.732 -8.848 4.777
38 HB3 GLU 5 2HB GLU 5 -8.633 -10.484 4.174
39 HG2 GLU 5 1HG GLU 5 -7.819 -8.077 2.542
40 HG3 GLU 5 2HG GLU 5 -6.706 -8.970 3.567
41 H SER 6 H SER 6 -11.655 -7.823 4.676
42 HA SER 6 HA SER 6 -12.361 -5.691 4.709
43 HB2 SER 6 1HB SER 6 -9.853 -5.210 3.078
44 HB3 SER 6 2HB SER 6 -10.797 -3.952 3.871
45 HG SER 6 HG SER 6 -8.822 -5.158 4.898
46 H SER 7 H SER 7 -12.331 -3.658 2.813
47 HA SER 7 HA SER 7 -13.372 -4.728 0.323
48 HB2 SER 7 1HB SER 7 -14.926 -2.774 2.049
49 HB3 SER 7 2HB SER 7 -15.402 -3.352 0.450
50 HG SER 7 HG SER 7 -14.844 -5.449 1.923
51 H GLN 8 H GLN 8 -12.689 -1.725 2.190
52 HA GLN 8 HA GLN 8 -11.921 -0.422 -0.305
53 HB2 GLN 8 1HB GLN 8 -11.969 0.695 2.495
54 HB3 GLN 8 2HB GLN 8 -11.580 1.544 0.994
55 HG2 GLN 8 1HG GLN 8 -13.847 1.236 0.201
56 HG3 GLN 8 2HG GLN 8 -14.254 0.289 1.632
57 HE21 GLN 8 2HE2 GLN 8 -15.467 2.766 0.653
58 HE22 GLN 8 1HE2 GLN 8 -15.296 3.900 1.935
59 H TYR 9 H TYR 9 -10.523 -2.397 1.852
60 HA TYR 9 HA TYR 9 -7.914 -1.178 1.403
61 HB2 TYR 9 1HB TYR 9 -8.615 -3.142 3.631
62 HB3 TYR 9 2HB TYR 9 -7.101 -2.311 3.373
63 HD1 TYR 9 HD1 TYR 9 -6.873 0.072 3.838
64 HD2 TYR 9 HD2 TYR 9 -10.443 -2.016 4.714
65 HE1 TYR 9 HE1 TYR 9 -7.586 1.924 5.277
66 HE2 TYR 9 HE2 TYR 9 -11.179 -0.169 6.161
67 HH TYR 9 HH TYR 9 -9.574 2.830 6.126
68 H ILE 10 H ILE 10 -6.301 -2.660 0.770
69 HA ILE 10 HA ILE 10 -7.217 -5.265 0.052
70 HB ILE 10 HB ILE 10 -7.478 -3.671 -1.893
71 HG12 ILE 10 1HG1 ILE 10 -6.349 -5.098 -3.560
72 HG13 ILE 10 2HG1 ILE 10 -5.433 -5.860 -2.259
73 HG21 ILE 10 1HG2 ILE 10 -5.648 -2.187 -1.448
74 HG22 ILE 10 2HG2 ILE 10 -5.508 -2.871 -3.068
75 HG23 ILE 10 3HG2 ILE 10 -4.491 -3.481 -1.762
76 HD11 ILE 10 3HD1 ILE 10 -8.405 -5.806 -2.438
77 HD12 ILE 10 1HD1 ILE 10 -7.426 -6.662 -1.263
78 HD13 ILE 10 2HD1 ILE 10 -7.398 -7.176 -2.967
79 H HIS 11 H HIS 11 -5.270 -6.608 -0.438
80 HA HIS 11 HA HIS 11 -3.351 -6.230 1.629
81 HB2 HIS 11 1HB HIS 11 -4.269 -8.442 1.033
82 HB3 HIS 11 2HB HIS 11 -3.504 -8.327 -0.542
83 HD1 HIS 11 HD1 HIS 11 -2.734 -8.897 3.081
84 HD2 HIS 11 HD2 HIS 11 -0.826 -9.061 -0.593
85 HE1 HIS 11 HE1 HIS 11 -0.546 -10.063 3.508
86 HE2 HIS 11 HE2 HIS 11 0.351 -10.467 1.191
87 H CYS 12 H CYS 12 -1.649 -4.969 1.458
88 HA CYS 12 HA CYS 12 -0.456 -4.160 -0.995
89 HB2 CYS 12 1HB CYS 12 -0.420 -2.716 1.069
90 HB3 CYS 12 2HB CYS 12 0.536 -3.964 1.866
91 H GLU 13 H GLU 13 1.181 -5.089 -1.919
92 HA GLU 13 HA GLU 13 2.055 -7.743 -1.121
93 HB2 GLU 13 1HB GLU 13 2.776 -5.990 -3.469
94 HB3 GLU 13 2HB GLU 13 3.278 -7.660 -3.270
95 HG2 GLU 13 1HG GLU 13 0.418 -6.777 -3.409
96 HG3 GLU 13 2HG GLU 13 1.356 -7.314 -4.803
97 H ASN 14 H ASN 14 2.927 -4.614 -0.708
98 HA ASN 14 HA ASN 14 5.776 -5.040 -0.828
99 HB2 ASN 14 1HB ASN 14 4.065 -2.601 -0.666
100 HB3 ASN 14 2HB ASN 14 5.814 -2.496 -0.347
101 HD21 ASN 14 2HD2 ASN 14 3.321 -3.200 -2.746
102 HD22 ASN 14 1HD2 ASN 14 4.383 -3.114 -4.090
103 H CYS 15 H CYS 15 3.483 -4.035 1.686
104 HA CYS 15 HA CYS 15 5.545 -4.995 3.538
105 HB2 CYS 15 1HB CYS 15 4.435 -3.579 5.301
106 HB3 CYS 15 2HB CYS 15 5.182 -2.649 3.997
107 H GLY 16 H GLY 16 2.992 -6.116 2.067
108 HA2 GLY 16 1HA GLY 16 1.471 -7.795 2.461
109 HA3 GLY 16 2HA GLY 16 2.452 -8.186 3.868
110 H ARG 17 H ARG 17 0.670 -5.248 3.178
111 HA ARG 17 HA ARG 17 -0.691 -5.680 5.750
112 HB2 ARG 17 1HB ARG 17 1.154 -4.132 5.897
113 HB3 ARG 17 2HB ARG 17 0.481 -3.132 4.642
114 HG2 ARG 17 1HG ARG 17 -1.440 -2.692 6.111
115 HG3 ARG 17 2HG ARG 17 -0.637 -3.634 7.376
116 HD2 ARG 17 1HD ARG 17 1.323 -2.115 7.191
117 HD3 ARG 17 2HD ARG 17 0.413 -1.144 6.042
118 HE ARG 17 HE ARG 17 -1.095 -1.447 8.359
119 HH11 ARG 17 1HH1 ARG 17 1.795 0.238 7.212
120 HH12 ARG 17 2HH1 ARG 17 1.715 1.448 8.395
121 HH21 ARG 17 1HH2 ARG 17 -1.216 0.203 9.968
122 HH22 ARG 17 2HH2 ARG 17 -0.042 1.437 10.000
123 H ASP 18 H ASP 18 -2.730 -4.694 5.986
124 HA ASP 18 HA ASP 18 -4.455 -4.694 3.688
125 HB2 ASP 18 1HB ASP 18 -4.933 -5.673 5.956
126 HB3 ASP 18 2HB ASP 18 -4.817 -3.988 6.525
127 H VAL 19 H VAL 19 -4.041 -2.817 2.542
128 HA VAL 19 HA VAL 19 -4.345 -0.296 4.043
129 HB VAL 19 HB VAL 19 -2.419 -0.795 1.746
130 HG11 VAL 19 1HG1 VAL 19 -3.273 1.507 1.751
131 HG12 VAL 19 2HG1 VAL 19 -1.569 1.456 2.203
132 HG13 VAL 19 3HG1 VAL 19 -2.805 1.677 3.443
133 HG21 VAL 19 3HG2 VAL 19 -1.853 -1.841 3.919
134 HG22 VAL 19 1HG2 VAL 19 -1.833 -0.258 4.649
135 HG23 VAL 19 2HG2 VAL 19 -0.642 -0.654 3.390
136 H SER 20 H SER 20 -5.407 1.381 2.986
137 HA SER 20 HA SER 20 -7.644 0.884 1.527
138 HB2 SER 20 1HB SER 20 -7.337 2.978 2.660
139 HB3 SER 20 2HB SER 20 -5.935 3.354 1.690
140 HG SER 20 HG SER 20 -8.670 3.409 0.959
141 H ALA 21 H ALA 21 -8.125 0.469 -0.433
142 HA ALA 21 HA ALA 21 -6.294 -0.324 -2.396
143 HB1 ALA 21 3HB ALA 21 -9.225 0.358 -2.488
144 HB2 ALA 21 1HB ALA 21 -8.518 -1.229 -2.274
145 HB3 ALA 21 2HB ALA 21 -8.371 -0.408 -3.837
146 H ASN 22 H ASN 22 -8.226 2.529 -2.014
147 HA ASN 22 HA ASN 22 -7.432 3.811 -4.446
148 HB2 ASN 22 1HB ASN 22 -9.570 4.381 -3.566
149 HB3 ASN 22 2HB ASN 22 -8.892 4.770 -1.992
150 HD21 ASN 22 2HD2 ASN 22 -9.361 5.871 -5.254
151 HD22 ASN 22 1HD2 ASN 22 -8.959 7.520 -4.957
152 H ARG 23 H ARG 23 -6.165 3.781 -1.244
153 HA ARG 23 HA ARG 23 -4.461 6.114 -1.781
154 HB2 ARG 23 1HB ARG 23 -5.884 6.024 0.230
155 HB3 ARG 23 2HB ARG 23 -4.963 4.622 0.744
156 HG2 ARG 23 1HG ARG 23 -3.070 5.854 1.167
157 HG3 ARG 23 2HG ARG 23 -3.646 7.261 0.248
158 HD2 ARG 23 1HD ARG 23 -4.893 6.141 2.720
159 HD3 ARG 23 2HD ARG 23 -3.840 7.575 2.669
160 HE ARG 23 HE ARG 23 -5.539 8.501 1.106
161 HH11 ARG 23 1HH1 ARG 23 -6.548 6.164 3.585
162 HH12 ARG 23 2HH1 ARG 23 -8.165 6.699 3.613
163 HH21 ARG 23 1HH2 ARG 23 -7.774 9.230 1.185
164 HH22 ARG 23 2HH2 ARG 23 -8.856 8.493 2.250
165 H LEU 24 H LEU 24 -4.291 2.862 -2.165
166 HA LEU 24 HA LEU 24 -1.869 2.243 -0.931
167 HB2 LEU 24 1HB LEU 24 -3.495 0.508 -1.507
168 HB3 LEU 24 2HB LEU 24 -3.242 0.805 -3.208
169 HG LEU 24 HG LEU 24 -1.017 -0.203 -3.113
170 HD11 LEU 24 1HD1 LEU 24 -1.494 -0.626 -0.160
171 HD12 LEU 24 2HD1 LEU 24 -0.451 0.618 -0.837
172 HD13 LEU 24 3HD1 LEU 24 -0.042 -1.075 -1.071
173 HD21 LEU 24 3HD2 LEU 24 -2.919 -1.887 -1.524
174 HD22 LEU 24 1HD2 LEU 24 -1.591 -2.455 -2.523
175 HD23 LEU 24 2HD2 LEU 24 -3.002 -1.694 -3.280
176 H ALA 25 H ALA 25 -2.451 3.952 -3.824
177 HA ALA 25 HA ALA 25 0.051 3.354 -5.076
178 HB1 ALA 25 3HB ALA 25 -0.432 5.183 -6.593
179 HB2 ALA 25 1HB ALA 25 -1.725 5.754 -5.541
180 HB3 ALA 25 2HB ALA 25 -1.882 4.203 -6.360
181 H ALA 26 H ALA 26 -1.094 6.194 -3.223
182 HA ALA 26 HA ALA 26 1.444 7.471 -3.109
183 HB1 ALA 26 3HB ALA 26 0.433 8.865 -1.348
184 HB2 ALA 26 1HB ALA 26 -0.918 7.735 -1.235
185 HB3 ALA 26 2HB ALA 26 -0.672 8.671 -2.707
186 H HIS 27 H HIS 27 -0.267 5.234 -1.075
187 HA HIS 27 HA HIS 27 1.499 5.025 1.068
188 HB2 HIS 27 1HB HIS 27 -0.655 3.844 1.176
189 HB3 HIS 27 2HB HIS 27 -0.216 2.943 -0.257
190 HD1 HIS 27 HD1 HIS 27 0.682 3.062 3.427
191 HD2 HIS 27 HD2 HIS 27 1.299 0.761 0.056
192 HE1 HIS 27 HE1 HIS 27 1.739 0.941 4.242
193 H LEU 28 H LEU 28 1.412 3.319 -2.049
194 HA LEU 28 HA LEU 28 3.636 1.726 -1.561
195 HB2 LEU 28 1HB LEU 28 1.831 2.098 -3.677
196 HB3 LEU 28 2HB LEU 28 3.444 2.380 -4.319
197 HG LEU 28 HG LEU 28 2.730 0.050 -4.593
198 HD11 LEU 28 1HD1 LEU 28 5.098 0.569 -4.444
199 HD12 LEU 28 2HD1 LEU 28 4.739 -0.986 -3.692
200 HD13 LEU 28 3HD1 LEU 28 5.024 0.434 -2.689
201 HD21 LEU 28 3HD2 LEU 28 2.740 -0.008 -1.570
202 HD22 LEU 28 1HD2 LEU 28 2.536 -1.395 -2.637
203 HD23 LEU 28 2HD2 LEU 28 1.326 -0.106 -2.595
204 H GLN 29 H GLN 29 3.321 4.934 -2.881
205 HA GLN 29 HA GLN 29 5.974 5.185 -3.719
206 HB2 GLN 29 1HB GLN 29 4.222 7.365 -2.556
207 HB3 GLN 29 2HB GLN 29 5.715 7.617 -3.442
208 HG2 GLN 29 1HG GLN 29 3.124 6.529 -4.506
209 HG3 GLN 29 2HG GLN 29 3.895 8.064 -4.906
210 HE21 GLN 29 2HE2 GLN 29 3.783 4.712 -5.488
211 HE22 GLN 29 1HE2 GLN 29 4.938 4.639 -6.761
212 H ARG 30 H ARG 30 4.498 5.709 -0.520
213 HA ARG 30 HA ARG 30 7.027 6.462 0.611
214 HB2 ARG 30 1HB ARG 30 4.807 7.227 1.492
215 HB3 ARG 30 2HB ARG 30 4.526 5.587 2.061
216 HG2 ARG 30 1HG ARG 30 6.486 5.733 3.483
217 HG3 ARG 30 2HG ARG 30 6.788 7.369 2.917
218 HD2 ARG 30 1HD ARG 30 5.676 7.468 5.047
219 HD3 ARG 30 2HD ARG 30 4.592 8.050 3.783
220 HE ARG 30 HE ARG 30 4.352 5.260 4.472
221 HH11 ARG 30 1HH1 ARG 30 3.145 8.534 5.015
222 HH12 ARG 30 2HH1 ARG 30 1.666 8.033 5.681
223 HH21 ARG 30 1HH2 ARG 30 2.341 4.573 5.392
224 HH22 ARG 30 2HH2 ARG 30 1.183 5.719 5.905
225 H CYS 31 H CYS 31 4.992 3.570 0.712
226 HA CYS 31 HA CYS 31 6.406 1.934 2.325
227 HB2 CYS 31 1HB CYS 31 4.140 1.526 1.261
228 HB3 CYS 31 2HB CYS 31 4.971 1.060 -0.201
229 H LEU 32 H LEU 32 6.904 2.529 -1.155
230 HA LEU 32 HA LEU 32 8.955 0.546 -1.427
231 HB2 LEU 32 1HB LEU 32 7.216 1.535 -3.186
232 HB3 LEU 32 2HB LEU 32 8.456 2.736 -3.411
233 HG LEU 32 HG LEU 32 8.563 1.061 -5.157
234 HD11 LEU 32 1HD1 LEU 32 10.881 0.334 -5.021
235 HD12 LEU 32 2HD1 LEU 32 10.920 0.798 -3.319
236 HD13 LEU 32 3HD1 LEU 32 10.678 2.022 -4.562
237 HD21 LEU 32 3HD2 LEU 32 9.003 -0.964 -2.973
238 HD22 LEU 32 1HD2 LEU 32 9.112 -1.270 -4.705
239 HD23 LEU 32 2HD2 LEU 32 7.569 -0.810 -3.986
240 H SER 33 H SER 33 8.825 4.141 -1.149
241 HA SER 33 HA SER 33 11.533 4.504 -1.760
242 HB2 SER 33 1HB SER 33 11.262 6.756 -0.688
243 HB3 SER 33 2HB SER 33 10.119 6.414 -1.976
244 HG SER 33 HG SER 33 8.551 6.260 -0.615
245 H ARG 34 H ARG 34 9.987 4.261 1.415
246 HA ARG 34 HA ARG 34 12.620 3.708 2.501
247 HB2 ARG 34 1HB ARG 34 12.098 5.435 4.381
248 HB3 ARG 34 2HB ARG 34 12.824 5.944 2.873
249 HG2 ARG 34 1HG ARG 34 11.129 7.533 3.538
250 HG3 ARG 34 2HG ARG 34 10.609 6.682 2.079
251 HD2 ARG 34 1HD ARG 34 8.779 7.005 3.687
252 HD3 ARG 34 2HD ARG 34 9.115 5.304 3.393
253 HE ARG 34 HE ARG 34 10.049 5.126 5.532
254 HH11 ARG 34 1HH1 ARG 34 8.678 8.362 4.994
255 HH12 ARG 34 2HH1 ARG 34 8.409 8.670 6.638
256 HH21 ARG 34 1HH2 ARG 34 9.658 5.570 7.758
257 HH22 ARG 34 2HH2 ARG 34 8.997 7.061 8.270
258 H GLY 35 H GLY 35 10.189 2.143 2.222
259 HA2 GLY 35 1HA GLY 35 9.145 1.764 4.867
260 HA3 GLY 35 2HA GLY 35 8.897 0.707 3.481
261 H ALA 36 H ALA 36 11.873 0.601 3.101
262 HA ALA 36 HA ALA 36 12.399 -1.353 5.210
263 HB1 ALA 36 3HB ALA 36 13.598 -1.253 2.437
264 HB2 ALA 36 1HB ALA 36 12.305 -2.333 2.961
265 HB3 ALA 36 2HB ALA 36 13.917 -2.480 3.663
266 H ARG 37 H ARG 37 13.098 0.294 6.579
267 HA ARG 37 HA ARG 37 15.739 1.360 5.890
268 HB2 ARG 37 1HB ARG 37 14.002 3.111 6.315
269 HB3 ARG 37 2HB ARG 37 13.777 2.458 7.929
270 HG2 ARG 37 1HG ARG 37 15.157 4.415 8.076
271 HG3 ARG 37 2HG ARG 37 16.147 3.003 8.428
272 HD2 ARG 37 1HD ARG 37 17.429 4.435 7.006
273 HD3 ARG 37 2HD ARG 37 16.920 3.056 6.040
274 HE ARG 37 HE ARG 37 15.230 5.386 5.924
275 HH11 ARG 37 1HH1 ARG 37 17.772 3.508 4.354
276 HH12 ARG 37 2HH1 ARG 37 17.776 4.399 2.914
277 HH21 ARG 37 1HH2 ARG 37 15.200 6.631 3.896
278 HH22 ARG 37 2HH2 ARG 37 16.249 6.203 2.620
279 H ARG 38 H ARG 38 13.843 0.390 8.767
280 HA ARG 38 HA ARG 38 16.150 -1.156 9.671
281 HB2 ARG 38 1HB ARG 38 14.501 0.694 11.433
282 HB3 ARG 38 2HB ARG 38 15.720 -0.427 11.984
283 HG2 ARG 38 1HG ARG 38 16.371 1.843 10.131
284 HG3 ARG 38 2HG ARG 38 16.327 2.039 11.877
285 HD2 ARG 38 1HD ARG 38 18.583 1.683 11.240
286 HD3 ARG 38 2HD ARG 38 18.034 0.218 12.042
287 HE ARG 38 HE ARG 38 17.675 -0.352 9.436
288 HH11 ARG 38 1HH1 ARG 38 20.426 0.997 11.179
289 HH12 ARG 38 2HH1 ARG 38 21.607 0.361 10.142
290 HH21 ARG 38 1HH2 ARG 38 19.280 -1.287 8.023
291 HH22 ARG 38 2HH2 ARG 38 20.937 -0.960 8.273
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -29.902 -5.476 -2.698
2 H2 GLY 1 2H GLY 1 -30.427 -3.870 -2.478
3 H3 GLY 1 3H GLY 1 -28.948 -4.389 -1.847
4 HA2 GLY 1 1HA GLY 1 -29.605 -4.313 -4.720
5 HA3 GLY 1 2HA GLY 1 -28.655 -3.098 -3.872
6 H LYS 2 H LYS 2 -26.554 -3.420 -3.729
7 HA LYS 2 HA LYS 2 -25.500 -6.095 -4.336
8 HB2 LYS 2 1HB LYS 2 -24.402 -3.356 -4.960
9 HB3 LYS 2 2HB LYS 2 -23.455 -4.823 -5.096
10 HG2 LYS 2 1HG LYS 2 -26.001 -4.299 -6.602
11 HG3 LYS 2 2HG LYS 2 -24.386 -4.012 -7.246
12 HD2 LYS 2 1HD LYS 2 -23.859 -6.396 -6.915
13 HD3 LYS 2 2HD LYS 2 -25.503 -6.660 -6.328
14 HE2 LYS 2 1HE LYS 2 -26.388 -5.938 -8.468
15 HE3 LYS 2 2HE LYS 2 -24.757 -5.630 -9.045
16 HZ1 LYS 2 3HZ LYS 2 -25.674 -7.758 -9.775
17 HZ2 LYS 2 1HZ LYS 2 -25.732 -8.286 -8.179
18 HZ3 LYS 2 2HZ LYS 2 -24.239 -7.939 -8.909
19 H GLN 3 H GLN 3 -23.909 -6.883 -3.003
20 HA GLN 3 HA GLN 3 -23.662 -5.555 -0.505
21 HB2 GLN 3 1HB GLN 3 -22.102 -7.421 0.141
22 HB3 GLN 3 2HB GLN 3 -23.672 -7.967 -0.389
23 HG2 GLN 3 1HG GLN 3 -22.115 -9.488 -1.283
24 HG3 GLN 3 2HG GLN 3 -22.613 -8.475 -2.622
25 HE21 GLN 3 2HE2 GLN 3 -20.236 -7.577 -0.141
26 HE22 GLN 3 1HE2 GLN 3 -18.893 -7.508 -1.224
27 H GLN 4 H GLN 4 -21.930 -4.555 0.347
28 HA GLN 4 HA GLN 4 -20.034 -3.619 -1.672
29 HB2 GLN 4 1HB GLN 4 -21.134 -2.181 0.752
30 HB3 GLN 4 2HB GLN 4 -19.921 -1.529 -0.350
31 HG2 GLN 4 1HG GLN 4 -21.501 -1.615 -2.192
32 HG3 GLN 4 2HG GLN 4 -22.713 -2.330 -1.143
33 HE21 GLN 4 2HE2 GLN 4 -22.086 -0.555 1.117
34 HE22 GLN 4 1HE2 GLN 4 -22.696 0.988 0.668
35 H GLU 5 H GLU 5 -17.894 -3.554 -1.140
36 HA GLU 5 HA GLU 5 -17.036 -5.622 0.543
37 HB2 GLU 5 1HB GLU 5 -15.370 -3.381 -0.607
38 HB3 GLU 5 2HB GLU 5 -14.768 -4.901 0.023
39 HG2 GLU 5 1HG GLU 5 -16.566 -4.601 -2.373
40 HG3 GLU 5 2HG GLU 5 -14.831 -4.919 -2.412
41 H SER 6 H SER 6 -17.460 -2.241 1.109
42 HA SER 6 HA SER 6 -17.687 -1.031 2.950
43 HB2 SER 6 1HB SER 6 -17.175 -3.553 4.552
44 HB3 SER 6 2HB SER 6 -17.943 -2.069 5.137
45 HG SER 6 HG SER 6 -18.924 -3.537 2.929
46 H SER 7 H SER 7 -14.965 -3.243 3.262
47 HA SER 7 HA SER 7 -13.312 -0.997 4.108
48 HB2 SER 7 1HB SER 7 -12.750 -3.978 4.102
49 HB3 SER 7 2HB SER 7 -11.659 -2.723 4.691
50 HG SER 7 HG SER 7 -14.179 -2.606 5.794
51 H GLN 8 H GLN 8 -12.335 -0.005 2.452
52 HA GLN 8 HA GLN 8 -12.082 -1.269 -0.145
53 HB2 GLN 8 1HB GLN 8 -11.354 1.494 0.847
54 HB3 GLN 8 2HB GLN 8 -11.161 0.965 -0.815
55 HG2 GLN 8 1HG GLN 8 -13.523 0.655 -1.041
56 HG3 GLN 8 2HG GLN 8 -13.787 1.062 0.658
57 HE21 GLN 8 2HE2 GLN 8 -13.071 2.285 -2.507
58 HE22 GLN 8 1HE2 GLN 8 -13.248 3.955 -2.126
59 H TYR 9 H TYR 9 -10.440 -2.007 2.276
60 HA TYR 9 HA TYR 9 -7.712 -1.324 1.491
61 HB2 TYR 9 1HB TYR 9 -8.735 -2.901 3.888
62 HB3 TYR 9 2HB TYR 9 -7.089 -2.467 3.563
63 HD1 TYR 9 HD1 TYR 9 -10.369 -0.632 3.905
64 HD2 TYR 9 HD2 TYR 9 -6.223 -0.797 4.810
65 HE1 TYR 9 HE1 TYR 9 -10.580 1.418 5.260
66 HE2 TYR 9 HE2 TYR 9 -6.412 1.246 6.145
67 HH TYR 9 HH TYR 9 -9.393 2.484 7.084
68 H ILE 10 H ILE 10 -6.307 -2.769 0.689
69 HA ILE 10 HA ILE 10 -7.111 -5.552 0.627
70 HB ILE 10 HB ILE 10 -6.444 -5.972 -1.609
71 HG12 ILE 10 1HG1 ILE 10 -4.397 -4.607 -1.752
72 HG13 ILE 10 2HG1 ILE 10 -5.399 -4.375 -3.173
73 HG21 ILE 10 1HG2 ILE 10 -7.818 -4.543 -3.048
74 HG22 ILE 10 2HG2 ILE 10 -8.023 -3.428 -1.696
75 HG23 ILE 10 3HG2 ILE 10 -8.637 -5.077 -1.580
76 HD11 ILE 10 3HD1 ILE 10 -5.119 -2.530 -0.841
77 HD12 ILE 10 1HD1 ILE 10 -6.159 -2.242 -2.238
78 HD13 ILE 10 2HD1 ILE 10 -4.400 -2.308 -2.442
79 H HIS 11 H HIS 11 -5.156 -6.863 0.149
80 HA HIS 11 HA HIS 11 -3.191 -6.055 2.038
81 HB2 HIS 11 1HB HIS 11 -2.106 -8.161 1.735
82 HB3 HIS 11 2HB HIS 11 -3.825 -8.488 1.593
83 HD1 HIS 11 HD1 HIS 11 -0.633 -8.851 -0.112
84 HD2 HIS 11 HD2 HIS 11 -4.638 -8.964 -1.200
85 HE1 HIS 11 HE1 HIS 11 -0.681 -9.900 -2.389
86 HE2 HIS 11 HE2 HIS 11 -3.123 -10.235 -2.854
87 H CYS 12 H CYS 12 -1.589 -4.738 1.704
88 HA CYS 12 HA CYS 12 -0.627 -3.967 -0.835
89 HB2 CYS 12 1HB CYS 12 -0.403 -2.538 1.174
90 HB3 CYS 12 2HB CYS 12 0.615 -3.799 1.891
91 H GLU 13 H GLU 13 0.844 -4.953 -1.959
92 HA GLU 13 HA GLU 13 1.806 -7.571 -1.158
93 HB2 GLU 13 1HB GLU 13 2.522 -5.999 -3.615
94 HB3 GLU 13 2HB GLU 13 2.657 -7.733 -3.378
95 HG2 GLU 13 1HG GLU 13 0.264 -7.954 -3.322
96 HG3 GLU 13 2HG GLU 13 0.071 -6.203 -3.430
97 H ASN 14 H ASN 14 2.805 -4.471 -0.747
98 HA ASN 14 HA ASN 14 5.629 -5.080 -1.017
99 HB2 ASN 14 1HB ASN 14 4.030 -2.607 -1.248
100 HB3 ASN 14 2HB ASN 14 5.769 -2.450 -0.868
101 HD21 ASN 14 2HD2 ASN 14 3.358 -3.379 -3.263
102 HD22 ASN 14 1HD2 ASN 14 4.468 -3.533 -4.560
103 H CYS 15 H CYS 15 3.344 -4.667 1.403
104 HA CYS 15 HA CYS 15 5.490 -5.177 3.294
105 HB2 CYS 15 1HB CYS 15 4.590 -3.599 5.011
106 HB3 CYS 15 2HB CYS 15 5.248 -2.761 3.602
107 H GLY 16 H GLY 16 2.802 -6.259 2.000
108 HA2 GLY 16 1HA GLY 16 1.232 -7.796 2.554
109 HA3 GLY 16 2HA GLY 16 2.236 -8.152 3.953
110 H ARG 17 H ARG 17 0.570 -5.156 3.154
111 HA ARG 17 HA ARG 17 -0.779 -5.471 5.741
112 HB2 ARG 17 1HB ARG 17 1.037 -3.976 6.083
113 HB3 ARG 17 2HB ARG 17 0.606 -2.981 4.717
114 HG2 ARG 17 1HG ARG 17 -0.047 -1.839 6.704
115 HG3 ARG 17 2HG ARG 17 -1.506 -2.445 5.901
116 HD2 ARG 17 1HD ARG 17 -1.550 -4.369 7.419
117 HD3 ARG 17 2HD ARG 17 -0.112 -3.757 8.228
118 HE ARG 17 HE ARG 17 -2.408 -1.988 8.184
119 HH11 ARG 17 1HH1 ARG 17 -0.456 -4.300 10.022
120 HH12 ARG 17 2HH1 ARG 17 -1.258 -4.036 11.490
121 HH21 ARG 17 1HH2 ARG 17 -3.488 -1.552 10.269
122 HH22 ARG 17 2HH2 ARG 17 -3.007 -2.443 11.623
123 H ASP 18 H ASP 18 -2.827 -5.000 5.889
124 HA ASP 18 HA ASP 18 -4.615 -4.651 3.783
125 HB2 ASP 18 1HB ASP 18 -5.056 -5.608 6.038
126 HB3 ASP 18 2HB ASP 18 -4.770 -3.957 6.648
127 H VAL 19 H VAL 19 -4.233 -2.881 2.616
128 HA VAL 19 HA VAL 19 -4.615 -0.221 3.866
129 HB VAL 19 HB VAL 19 -2.532 -0.832 1.735
130 HG11 VAL 19 1HG1 VAL 19 -3.164 1.777 3.132
131 HG12 VAL 19 2HG1 VAL 19 -3.507 1.400 1.445
132 HG13 VAL 19 3HG1 VAL 19 -1.834 1.508 2.003
133 HG21 VAL 19 3HG2 VAL 19 -2.036 -1.607 4.028
134 HG22 VAL 19 1HG2 VAL 19 -2.134 0.046 4.587
135 HG23 VAL 19 2HG2 VAL 19 -0.861 -0.415 3.433
136 H SER 20 H SER 20 -5.986 1.133 2.771
137 HA SER 20 HA SER 20 -7.857 0.348 0.941
138 HB2 SER 20 1HB SER 20 -6.663 3.068 1.282
139 HB3 SER 20 2HB SER 20 -8.251 2.681 0.606
140 HG SER 20 HG SER 20 -8.827 2.944 2.557
141 H ALA 21 H ALA 21 -7.962 -0.015 -1.109
142 HA ALA 21 HA ALA 21 -5.791 -0.148 -2.870
143 HB1 ALA 21 3HB ALA 21 -7.473 -0.424 -4.630
144 HB2 ALA 21 1HB ALA 21 -8.724 0.160 -3.530
145 HB3 ALA 21 2HB ALA 21 -7.903 -1.359 -3.198
146 H ASN 22 H ASN 22 -7.908 2.367 -2.066
147 HA ASN 22 HA ASN 22 -7.248 4.143 -4.278
148 HB2 ASN 22 1HB ASN 22 -9.444 4.290 -3.121
149 HB3 ASN 22 2HB ASN 22 -8.626 4.788 -1.649
150 HD21 ASN 22 2HD2 ASN 22 -9.694 6.760 -1.551
151 HD22 ASN 22 1HD2 ASN 22 -9.362 8.043 -2.659
152 H ARG 23 H ARG 23 -5.950 3.419 -1.220
153 HA ARG 23 HA ARG 23 -4.440 5.937 -0.978
154 HB2 ARG 23 1HB ARG 23 -5.876 4.878 0.836
155 HB3 ARG 23 2HB ARG 23 -4.611 3.671 0.951
156 HG2 ARG 23 1HG ARG 23 -3.019 5.333 1.619
157 HG3 ARG 23 2HG ARG 23 -4.204 6.621 1.347
158 HD2 ARG 23 1HD ARG 23 -4.413 4.378 3.317
159 HD3 ARG 23 2HD ARG 23 -4.104 6.092 3.686
160 HE ARG 23 HE ARG 23 -6.392 6.281 2.405
161 HH11 ARG 23 1HH1 ARG 23 -5.561 4.073 5.047
162 HH12 ARG 23 2HH1 ARG 23 -7.181 3.803 5.532
163 HH21 ARG 23 1HH2 ARG 23 -8.589 5.942 3.088
164 HH22 ARG 23 2HH2 ARG 23 -8.938 4.924 4.410
165 H LEU 24 H LEU 24 -4.208 2.709 -1.963
166 HA LEU 24 HA LEU 24 -1.747 1.825 -1.086
167 HB2 LEU 24 1HB LEU 24 -3.740 0.683 -2.377
168 HB3 LEU 24 2HB LEU 24 -2.778 1.061 -3.786
169 HG LEU 24 HG LEU 24 -2.495 -1.243 -3.095
170 HD11 LEU 24 1HD1 LEU 24 0.019 -1.344 -2.837
171 HD12 LEU 24 2HD1 LEU 24 -0.021 0.407 -2.752
172 HD13 LEU 24 3HD1 LEU 24 -0.593 -0.412 -4.200
173 HD21 LEU 24 3HD2 LEU 24 -1.407 -1.860 -0.995
174 HD22 LEU 24 1HD2 LEU 24 -2.942 -1.039 -0.732
175 HD23 LEU 24 2HD2 LEU 24 -1.422 -0.173 -0.490
176 H ALA 25 H ALA 25 -2.539 3.749 -3.880
177 HA ALA 25 HA ALA 25 -0.134 3.618 -5.278
178 HB1 ALA 25 3HB ALA 25 -1.981 5.999 -5.123
179 HB2 ALA 25 1HB ALA 25 -2.181 4.610 -6.192
180 HB3 ALA 25 2HB ALA 25 -0.790 5.678 -6.380
181 H ALA 26 H ALA 26 -1.071 6.363 -3.143
182 HA ALA 26 HA ALA 26 1.556 7.459 -3.131
183 HB1 ALA 26 3HB ALA 26 -0.486 8.797 -2.673
184 HB2 ALA 26 1HB ALA 26 0.733 8.968 -1.404
185 HB3 ALA 26 2HB ALA 26 -0.662 7.931 -1.143
186 H HIS 27 H HIS 27 -0.221 5.285 -1.080
187 HA HIS 27 HA HIS 27 1.544 5.042 1.043
188 HB2 HIS 27 1HB HIS 27 -0.603 3.902 1.215
189 HB3 HIS 27 2HB HIS 27 -0.268 2.995 -0.240
190 HD1 HIS 27 HD1 HIS 27 1.002 3.199 3.332
191 HD2 HIS 27 HD2 HIS 27 0.964 0.668 0.071
192 HE1 HIS 27 HE1 HIS 27 2.175 1.104 4.102
193 H LEU 28 H LEU 28 1.510 3.407 -2.107
194 HA LEU 28 HA LEU 28 3.715 1.797 -1.514
195 HB2 LEU 28 1HB LEU 28 1.919 2.021 -3.672
196 HB3 LEU 28 2HB LEU 28 3.551 2.305 -4.282
197 HG LEU 28 HG LEU 28 2.748 -0.096 -4.393
198 HD11 LEU 28 1HD1 LEU 28 5.271 0.563 -2.874
199 HD12 LEU 28 2HD1 LEU 28 5.093 0.537 -4.630
200 HD13 LEU 28 3HD1 LEU 28 4.939 -0.956 -3.703
201 HD21 LEU 28 3HD2 LEU 28 3.444 -0.123 -1.472
202 HD22 LEU 28 1HD2 LEU 28 2.717 -1.394 -2.431
203 HD23 LEU 28 2HD2 LEU 28 1.789 0.064 -1.997
204 H GLN 29 H GLN 29 3.360 4.957 -2.879
205 HA GLN 29 HA GLN 29 6.009 5.225 -3.773
206 HB2 GLN 29 1HB GLN 29 4.312 7.408 -2.532
207 HB3 GLN 29 2HB GLN 29 5.729 7.662 -3.533
208 HG2 GLN 29 1HG GLN 29 3.052 6.575 -4.365
209 HG3 GLN 29 2HG GLN 29 3.824 8.070 -4.893
210 HE21 GLN 29 2HE2 GLN 29 3.564 4.693 -5.319
211 HE22 GLN 29 1HE2 GLN 29 4.593 4.520 -6.682
212 H ARG 30 H ARG 30 4.574 5.742 -0.586
213 HA ARG 30 HA ARG 30 7.122 6.357 0.603
214 HB2 ARG 30 1HB ARG 30 5.032 7.266 1.488
215 HB3 ARG 30 2HB ARG 30 4.514 5.641 1.913
216 HG2 ARG 30 1HG ARG 30 6.105 5.441 3.597
217 HG3 ARG 30 2HG ARG 30 7.076 6.768 2.954
218 HD2 ARG 30 1HD ARG 30 4.338 7.015 4.127
219 HD3 ARG 30 2HD ARG 30 5.863 7.415 4.954
220 HE ARG 30 HE ARG 30 5.889 8.788 2.594
221 HH11 ARG 30 1HH1 ARG 30 3.882 8.837 5.516
222 HH12 ARG 30 2HH1 ARG 30 3.341 10.434 5.271
223 HH21 ARG 30 1HH2 ARG 30 5.154 10.970 2.287
224 HH22 ARG 30 2HH2 ARG 30 4.079 11.667 3.407
225 H CYS 31 H CYS 31 5.082 3.526 0.377
226 HA CYS 31 HA CYS 31 6.394 1.852 2.136
227 HB2 CYS 31 1HB CYS 31 4.133 1.490 1.039
228 HB3 CYS 31 2HB CYS 31 5.026 1.028 -0.401
229 H LEU 32 H LEU 32 7.066 2.670 -1.215
230 HA LEU 32 HA LEU 32 9.074 0.624 -1.478
231 HB2 LEU 32 1HB LEU 32 7.455 1.617 -3.335
232 HB3 LEU 32 2HB LEU 32 8.624 2.900 -3.393
233 HG LEU 32 HG LEU 32 8.946 1.263 -5.206
234 HD11 LEU 32 1HD1 LEU 32 11.243 1.353 -3.284
235 HD12 LEU 32 2HD1 LEU 32 10.858 2.529 -4.548
236 HD13 LEU 32 3HD1 LEU 32 11.336 0.887 -4.984
237 HD21 LEU 32 3HD2 LEU 32 8.197 -0.738 -4.033
238 HD22 LEU 32 1HD2 LEU 32 9.634 -0.693 -3.016
239 HD23 LEU 32 2HD2 LEU 32 9.790 -0.973 -4.748
240 H SER 33 H SER 33 8.909 4.213 -1.270
241 HA SER 33 HA SER 33 11.646 4.713 -1.405
242 HB2 SER 33 1HB SER 33 9.836 6.449 -1.580
243 HB3 SER 33 2HB SER 33 9.584 6.303 0.156
244 HG SER 33 HG SER 33 11.630 7.470 -1.284
245 H ARG 34 H ARG 34 9.622 3.864 1.353
246 HA ARG 34 HA ARG 34 11.989 3.854 3.059
247 HB2 ARG 34 1HB ARG 34 9.048 3.849 3.706
248 HB3 ARG 34 2HB ARG 34 10.310 3.642 4.913
249 HG2 ARG 34 1HG ARG 34 11.188 5.831 4.446
250 HG3 ARG 34 2HG ARG 34 10.068 6.028 3.104
251 HD2 ARG 34 1HD ARG 34 9.346 7.227 5.113
252 HD3 ARG 34 2HD ARG 34 8.193 6.006 4.597
253 HE ARG 34 HE ARG 34 9.651 4.698 6.433
254 HH11 ARG 34 1HH1 ARG 34 8.275 7.952 6.654
255 HH12 ARG 34 2HH1 ARG 34 7.637 7.704 8.217
256 HH21 ARG 34 1HH2 ARG 34 8.846 4.406 8.580
257 HH22 ARG 34 2HH2 ARG 34 7.990 5.656 9.361
258 H GLY 35 H GLY 35 10.846 1.808 1.019
259 HA2 GLY 35 1HA GLY 35 10.637 -0.535 2.735
260 HA3 GLY 35 2HA GLY 35 10.547 -0.513 0.970
261 H ALA 36 H ALA 36 12.673 0.578 0.087
262 HA ALA 36 HA ALA 36 14.875 -1.018 1.139
263 HB1 ALA 36 3HB ALA 36 14.600 0.540 -1.446
264 HB2 ALA 36 1HB ALA 36 14.449 -1.208 -1.274
265 HB3 ALA 36 2HB ALA 36 16.002 -0.428 -0.985
266 H ARG 37 H ARG 37 15.932 0.022 2.683
267 HA ARG 37 HA ARG 37 16.177 2.937 2.481
268 HB2 ARG 37 1HB ARG 37 15.874 1.202 4.918
269 HB3 ARG 37 2HB ARG 37 16.310 2.899 4.976
270 HG2 ARG 37 1HG ARG 37 14.187 3.531 4.072
271 HG3 ARG 37 2HG ARG 37 13.765 1.839 3.779
272 HD2 ARG 37 1HD ARG 37 14.300 3.075 6.476
273 HD3 ARG 37 2HD ARG 37 12.701 2.701 5.820
274 HE ARG 37 HE ARG 37 14.029 0.361 5.647
275 HH11 ARG 37 1HH1 ARG 37 13.370 2.531 8.358
276 HH12 ARG 37 2HH1 ARG 37 13.385 1.313 9.524
277 HH21 ARG 37 1HH2 ARG 37 14.090 -1.313 7.220
278 HH22 ARG 37 2HH2 ARG 37 13.819 -0.971 8.866
279 H ARG 38 H ARG 38 18.024 3.768 3.722
280 HA ARG 38 HA ARG 38 20.141 1.968 4.309
281 HB2 ARG 38 1HB ARG 38 21.831 3.255 3.005
282 HB3 ARG 38 2HB ARG 38 20.679 2.442 1.965
283 HG2 ARG 38 1HG ARG 38 19.513 4.558 1.603
284 HG3 ARG 38 2HG ARG 38 20.649 5.352 2.690
285 HD2 ARG 38 1HD ARG 38 22.485 4.791 1.202
286 HD3 ARG 38 2HD ARG 38 21.363 3.987 0.101
287 HE ARG 38 HE ARG 38 20.471 6.042 -0.487
288 HH11 ARG 38 1HH1 ARG 38 23.161 6.415 1.830
289 HH12 ARG 38 2HH1 ARG 38 23.431 8.045 1.439
290 HH21 ARG 38 1HH2 ARG 38 20.866 8.332 -0.971
291 HH22 ARG 38 2HH2 ARG 38 22.121 9.153 -0.170
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -24.621 5.610 2.564
2 H2 GLY 1 2H GLY 1 -25.248 4.426 1.518
3 H3 GLY 1 3H GLY 1 -23.800 4.157 2.382
4 HA2 GLY 1 1HA GLY 1 -26.409 4.604 3.634
5 HA3 GLY 1 2HA GLY 1 -25.691 3.006 3.387
6 H LYS 2 H LYS 2 -24.895 2.303 5.262
7 HA LYS 2 HA LYS 2 -23.869 4.204 7.204
8 HB2 LYS 2 1HB LYS 2 -24.224 1.208 7.379
9 HB3 LYS 2 2HB LYS 2 -23.632 2.225 8.675
10 HG2 LYS 2 1HG LYS 2 -25.785 3.402 8.702
11 HG3 LYS 2 2HG LYS 2 -26.371 2.302 7.445
12 HD2 LYS 2 1HD LYS 2 -25.963 0.394 8.930
13 HD3 LYS 2 2HD LYS 2 -25.380 1.490 10.178
14 HE2 LYS 2 1HE LYS 2 -28.148 1.483 9.006
15 HE3 LYS 2 2HE LYS 2 -27.705 0.771 10.554
16 HZ1 LYS 2 3HZ LYS 2 -28.691 2.942 10.810
17 HZ2 LYS 2 1HZ LYS 2 -27.514 3.658 9.847
18 HZ3 LYS 2 2HZ LYS 2 -27.094 2.987 11.333
19 H GLN 3 H GLN 3 -22.760 1.961 4.834
20 HA GLN 3 HA GLN 3 -20.232 1.680 6.088
21 HB2 GLN 3 1HB GLN 3 -21.129 0.713 3.377
22 HB3 GLN 3 2HB GLN 3 -19.532 0.423 4.045
23 HG2 GLN 3 1HG GLN 3 -22.140 -0.515 5.227
24 HG3 GLN 3 2HG GLN 3 -20.984 -1.508 4.348
25 HE21 GLN 3 2HE2 GLN 3 -18.639 -0.253 5.649
26 HE22 GLN 3 1HE2 GLN 3 -18.647 -0.854 7.261
27 H GLN 4 H GLN 4 -19.846 3.782 6.312
28 HA GLN 4 HA GLN 4 -18.592 5.185 4.068
29 HB2 GLN 4 1HB GLN 4 -18.684 5.811 7.037
30 HB3 GLN 4 2HB GLN 4 -18.118 6.900 5.778
31 HG2 GLN 4 1HG GLN 4 -20.316 7.084 4.858
32 HG3 GLN 4 2HG GLN 4 -20.923 5.825 5.935
33 HE21 GLN 4 2HE2 GLN 4 -21.238 6.307 8.086
34 HE22 GLN 4 1HE2 GLN 4 -21.348 7.928 8.650
35 H GLU 5 H GLU 5 -18.075 3.115 6.650
36 HA GLU 5 HA GLU 5 -15.155 3.090 6.599
37 HB2 GLU 5 1HB GLU 5 -16.548 3.023 8.722
38 HB3 GLU 5 2HB GLU 5 -17.186 1.483 8.189
39 HG2 GLU 5 1HG GLU 5 -14.850 0.597 8.250
40 HG3 GLU 5 2HG GLU 5 -14.366 2.125 8.996
41 H SER 6 H SER 6 -15.933 2.493 4.228
42 HA SER 6 HA SER 6 -17.093 0.030 3.606
43 HB2 SER 6 1HB SER 6 -15.246 1.654 1.915
44 HB3 SER 6 2HB SER 6 -16.606 0.653 1.402
45 HG SER 6 HG SER 6 -16.719 3.102 1.705
46 H SER 7 H SER 7 -16.109 -1.770 2.552
47 HA SER 7 HA SER 7 -13.528 -2.523 3.549
48 HB2 SER 7 1HB SER 7 -15.444 -4.150 3.371
49 HB3 SER 7 2HB SER 7 -15.413 -3.946 1.622
50 HG SER 7 HG SER 7 -13.445 -5.053 3.304
51 H GLN 8 H GLN 8 -12.297 -0.920 2.553
52 HA GLN 8 HA GLN 8 -12.007 -1.133 -0.378
53 HB2 GLN 8 1HB GLN 8 -11.889 1.272 1.406
54 HB3 GLN 8 2HB GLN 8 -11.240 1.275 -0.223
55 HG2 GLN 8 1HG GLN 8 -13.422 0.788 -1.124
56 HG3 GLN 8 2HG GLN 8 -14.093 0.651 0.494
57 HE21 GLN 8 2HE2 GLN 8 -11.748 3.082 -0.374
58 HE22 GLN 8 1HE2 GLN 8 -12.824 4.426 -0.278
59 H TYR 9 H TYR 9 -10.546 -2.321 2.047
60 HA TYR 9 HA TYR 9 -7.915 -1.206 1.439
61 HB2 TYR 9 1HB TYR 9 -8.571 -2.992 3.828
62 HB3 TYR 9 2HB TYR 9 -7.168 -2.025 3.530
63 HD1 TYR 9 HD2 TYR 9 -10.816 -1.666 4.265
64 HD2 TYR 9 HD1 TYR 9 -6.971 0.150 4.292
65 HE1 TYR 9 HE2 TYR 9 -11.732 0.228 5.522
66 HE2 TYR 9 HE1 TYR 9 -7.878 2.040 5.541
67 HH TYR 9 HH TYR 9 -10.948 2.024 7.008
68 H ILE 10 H ILE 10 -6.358 -2.625 0.671
69 HA ILE 10 HA ILE 10 -7.190 -5.396 0.424
70 HB ILE 10 HB ILE 10 -6.408 -5.722 -1.776
71 HG12 ILE 10 1HG1 ILE 10 -4.361 -4.369 -1.787
72 HG13 ILE 10 2HG1 ILE 10 -5.318 -4.040 -3.217
73 HG21 ILE 10 1HG2 ILE 10 -8.597 -4.855 -1.799
74 HG22 ILE 10 2HG2 ILE 10 -7.730 -4.200 -3.195
75 HG23 ILE 10 3HG2 ILE 10 -8.000 -3.198 -1.770
76 HD11 ILE 10 3HD1 ILE 10 -6.120 -1.994 -2.157
77 HD12 ILE 10 1HD1 ILE 10 -4.359 -2.024 -2.340
78 HD13 ILE 10 2HD1 ILE 10 -5.090 -2.350 -0.766
79 H HIS 11 H HIS 11 -5.285 -6.740 -0.210
80 HA HIS 11 HA HIS 11 -3.406 -6.319 1.905
81 HB2 HIS 11 1HB HIS 11 -4.425 -8.533 1.419
82 HB3 HIS 11 2HB HIS 11 -3.622 -8.533 -0.139
83 HD1 HIS 11 HD1 HIS 11 -2.719 -8.494 3.553
84 HD2 HIS 11 HD2 HIS 11 -1.193 -9.725 -0.110
85 HE1 HIS 11 HE1 HIS 11 -0.633 -9.788 4.082
86 HE2 HIS 11 HE2 HIS 11 -0.036 -10.833 1.899
87 H CYS 12 H CYS 12 -1.766 -4.905 1.539
88 HA CYS 12 HA CYS 12 -0.637 -4.427 -1.011
89 HB2 CYS 12 1HB CYS 12 -0.473 -2.765 0.858
90 HB3 CYS 12 2HB CYS 12 0.446 -3.964 1.773
91 H GLU 13 H GLU 13 1.175 -5.357 -1.809
92 HA GLU 13 HA GLU 13 1.996 -7.787 -0.377
93 HB2 GLU 13 1HB GLU 13 1.882 -7.312 -3.353
94 HB3 GLU 13 2HB GLU 13 2.434 -8.801 -2.584
95 HG2 GLU 13 1HG GLU 13 0.210 -9.016 -1.518
96 HG3 GLU 13 2HG GLU 13 -0.322 -7.611 -2.432
97 H ASN 14 H ASN 14 2.810 -4.960 -0.668
98 HA ASN 14 HA ASN 14 5.592 -5.343 -1.398
99 HB2 ASN 14 1HB ASN 14 3.913 -2.837 -0.972
100 HB3 ASN 14 2HB ASN 14 5.663 -2.802 -1.322
101 HD21 ASN 14 2HD2 ASN 14 6.295 -3.377 -3.469
102 HD22 ASN 14 1HD2 ASN 14 5.127 -3.406 -4.740
103 H CYS 15 H CYS 15 3.586 -4.190 1.341
104 HA CYS 15 HA CYS 15 5.822 -5.024 3.082
105 HB2 CYS 15 1HB CYS 15 4.886 -3.506 4.813
106 HB3 CYS 15 2HB CYS 15 5.388 -2.630 3.360
107 H GLY 16 H GLY 16 2.896 -6.019 1.995
108 HA2 GLY 16 1HA GLY 16 1.510 -7.733 2.673
109 HA3 GLY 16 2HA GLY 16 2.586 -7.963 4.040
110 H ARG 17 H ARG 17 0.873 -5.003 3.273
111 HA ARG 17 HA ARG 17 -0.519 -5.329 5.828
112 HB2 ARG 17 1HB ARG 17 1.228 -3.761 6.201
113 HB3 ARG 17 2HB ARG 17 0.898 -2.882 4.730
114 HG2 ARG 17 1HG ARG 17 0.169 -1.577 6.591
115 HG3 ARG 17 2HG ARG 17 -1.258 -2.165 5.737
116 HD2 ARG 17 1HD ARG 17 -1.298 -4.058 7.424
117 HD3 ARG 17 2HD ARG 17 -0.131 -3.118 8.356
118 HE ARG 17 HE ARG 17 -2.015 -1.322 7.936
119 HH11 ARG 17 1HH1 ARG 17 -2.290 -4.660 9.056
120 HH12 ARG 17 2HH1 ARG 17 -3.773 -4.434 9.851
121 HH21 ARG 17 1HH2 ARG 17 -4.087 -1.007 9.029
122 HH22 ARG 17 2HH2 ARG 17 -4.818 -2.326 9.822
123 H ASP 18 H ASP 18 -2.596 -4.570 5.991
124 HA ASP 18 HA ASP 18 -4.233 -4.534 3.655
125 HB2 ASP 18 1HB ASP 18 -4.743 -5.617 5.876
126 HB3 ASP 18 2HB ASP 18 -4.747 -3.937 6.481
127 H VAL 19 H VAL 19 -4.096 -2.702 2.610
128 HA VAL 19 HA VAL 19 -4.515 -0.146 4.055
129 HB VAL 19 HB VAL 19 -2.582 -0.472 1.738
130 HG11 VAL 19 1HG1 VAL 19 -3.516 1.776 1.878
131 HG12 VAL 19 2HG1 VAL 19 -1.808 1.779 2.335
132 HG13 VAL 19 3HG1 VAL 19 -3.052 1.874 3.579
133 HG21 VAL 19 3HG2 VAL 19 -1.919 -1.624 3.801
134 HG22 VAL 19 1HG2 VAL 19 -1.949 -0.102 4.648
135 HG23 VAL 19 2HG2 VAL 19 -0.769 -0.349 3.337
136 H SER 20 H SER 20 -5.655 1.479 2.926
137 HA SER 20 HA SER 20 -7.778 0.873 1.355
138 HB2 SER 20 1HB SER 20 -6.250 3.466 1.290
139 HB3 SER 20 2HB SER 20 -7.983 3.225 1.076
140 HG SER 20 HG SER 20 -8.036 3.632 3.118
141 H ALA 21 H ALA 21 -7.978 0.288 -0.718
142 HA ALA 21 HA ALA 21 -5.871 -0.028 -2.553
143 HB1 ALA 21 3HB ALA 21 -8.820 0.188 -3.154
144 HB2 ALA 21 1HB ALA 21 -8.005 -1.290 -2.642
145 HB3 ALA 21 2HB ALA 21 -7.591 -0.544 -4.184
146 H ASN 22 H ASN 22 -8.188 2.445 -2.092
147 HA ASN 22 HA ASN 22 -7.650 3.975 -4.434
148 HB2 ASN 22 1HB ASN 22 -9.726 4.303 -3.228
149 HB3 ASN 22 2HB ASN 22 -8.853 4.816 -1.786
150 HD21 ASN 22 2HD2 ASN 22 -8.136 6.923 -1.688
151 HD22 ASN 22 1HD2 ASN 22 -8.555 8.132 -2.841
152 H ARG 23 H ARG 23 -5.957 3.694 -1.435
153 HA ARG 23 HA ARG 23 -4.508 6.184 -1.970
154 HB2 ARG 23 1HB ARG 23 -5.931 5.500 0.189
155 HB3 ARG 23 2HB ARG 23 -4.404 4.757 0.616
156 HG2 ARG 23 1HG ARG 23 -4.593 6.923 1.584
157 HG3 ARG 23 2HG ARG 23 -3.298 6.899 0.366
158 HD2 ARG 23 1HD ARG 23 -4.646 8.052 -1.214
159 HD3 ARG 23 2HD ARG 23 -6.102 7.816 -0.250
160 HE ARG 23 HE ARG 23 -4.754 9.260 1.408
161 HH11 ARG 23 1HH1 ARG 23 -4.833 9.680 -2.118
162 HH12 ARG 23 2HH1 ARG 23 -4.758 11.372 -2.071
163 HH21 ARG 23 1HH2 ARG 23 -4.696 11.651 1.452
164 HH22 ARG 23 2HH2 ARG 23 -4.700 12.494 -0.030
165 H LEU 24 H LEU 24 -4.250 3.064 -2.683
166 HA LEU 24 HA LEU 24 -1.998 2.144 -1.279
167 HB2 LEU 24 1HB LEU 24 -3.832 0.909 -2.766
168 HB3 LEU 24 2HB LEU 24 -2.580 1.045 -3.979
169 HG LEU 24 HG LEU 24 -2.576 -1.131 -2.921
170 HD11 LEU 24 1HD1 LEU 24 -0.167 -1.287 -2.194
171 HD12 LEU 24 2HD1 LEU 24 -0.139 0.465 -2.221
172 HD13 LEU 24 3HD1 LEU 24 -0.426 -0.428 -3.710
173 HD21 LEU 24 3HD2 LEU 24 -3.460 -0.544 -0.745
174 HD22 LEU 24 1HD2 LEU 24 -1.962 0.292 -0.339
175 HD23 LEU 24 2HD2 LEU 24 -1.956 -1.453 -0.576
176 H ALA 25 H ALA 25 -2.319 3.743 -4.351
177 HA ALA 25 HA ALA 25 0.303 3.601 -5.294
178 HB1 ALA 25 3HB ALA 25 -1.531 4.562 -6.589
179 HB2 ALA 25 1HB ALA 25 -0.150 5.656 -6.544
180 HB3 ALA 25 2HB ALA 25 -1.555 5.966 -5.522
181 H ALA 26 H ALA 26 -1.035 6.228 -3.244
182 HA ALA 26 HA ALA 26 1.426 7.562 -2.811
183 HB1 ALA 26 3HB ALA 26 -0.721 8.669 -2.401
184 HB2 ALA 26 1HB ALA 26 0.259 8.677 -0.938
185 HB3 ALA 26 2HB ALA 26 -1.074 7.533 -1.100
186 H HIS 27 H HIS 27 -0.300 5.051 -1.159
187 HA HIS 27 HA HIS 27 1.369 4.725 1.047
188 HB2 HIS 27 1HB HIS 27 -0.770 3.537 1.000
189 HB3 HIS 27 2HB HIS 27 -0.287 2.718 -0.469
190 HD1 HIS 27 HD1 HIS 27 0.849 2.838 3.148
191 HD2 HIS 27 HD2 HIS 27 0.965 0.400 -0.185
192 HE1 HIS 27 HE1 HIS 27 2.050 0.764 3.886
193 H LEU 28 H LEU 28 1.522 3.286 -2.197
194 HA LEU 28 HA LEU 28 3.751 1.690 -1.683
195 HB2 LEU 28 1HB LEU 28 2.076 2.248 -3.916
196 HB3 LEU 28 2HB LEU 28 3.759 2.504 -4.372
197 HG LEU 28 HG LEU 28 2.782 0.193 -4.816
198 HD11 LEU 28 1HD1 LEU 28 5.308 0.545 -3.226
199 HD12 LEU 28 2HD1 LEU 28 5.144 0.683 -4.980
200 HD13 LEU 28 3HD1 LEU 28 4.921 -0.878 -4.189
201 HD21 LEU 28 3HD2 LEU 28 3.402 -0.213 -1.887
202 HD22 LEU 28 1HD2 LEU 28 2.697 -1.378 -2.986
203 HD23 LEU 28 2HD2 LEU 28 1.772 0.033 -2.464
204 H GLN 29 H GLN 29 3.431 4.992 -2.642
205 HA GLN 29 HA GLN 29 6.161 5.441 -3.197
206 HB2 GLN 29 1HB GLN 29 4.216 7.390 -1.927
207 HB3 GLN 29 2HB GLN 29 5.728 7.799 -2.723
208 HG2 GLN 29 1HG GLN 29 3.260 6.664 -4.020
209 HG3 GLN 29 2HG GLN 29 3.885 8.301 -4.185
210 HE21 GLN 29 2HE2 GLN 29 4.191 5.005 -5.176
211 HE22 GLN 29 1HE2 GLN 29 5.380 5.272 -6.393
212 H ARG 30 H ARG 30 4.301 5.690 -0.190
213 HA ARG 30 HA ARG 30 6.538 6.229 1.539
214 HB2 ARG 30 1HB ARG 30 3.667 5.542 1.842
215 HB3 ARG 30 2HB ARG 30 4.703 5.226 3.213
216 HG2 ARG 30 1HG ARG 30 3.586 7.396 3.369
217 HG3 ARG 30 2HG ARG 30 5.333 7.561 3.312
218 HD2 ARG 30 1HD ARG 30 5.215 8.197 0.967
219 HD3 ARG 30 2HD ARG 30 3.464 7.954 0.973
220 HE ARG 30 HE ARG 30 3.497 9.647 2.806
221 HH11 ARG 30 1HH1 ARG 30 5.730 9.803 -0.001
222 HH12 ARG 30 2HH1 ARG 30 5.942 11.472 0.104
223 HH21 ARG 30 1HH2 ARG 30 3.876 11.994 2.927
224 HH22 ARG 30 2HH2 ARG 30 4.894 12.740 1.790
225 H CYS 31 H CYS 31 5.038 3.366 0.374
226 HA CYS 31 HA CYS 31 6.168 1.603 2.220
227 HB2 CYS 31 1HB CYS 31 4.098 1.270 0.746
228 HB3 CYS 31 2HB CYS 31 5.212 0.947 -0.560
229 H LEU 32 H LEU 32 7.013 2.479 -1.160
230 HA LEU 32 HA LEU 32 9.350 0.770 -1.016
231 HB2 LEU 32 1HB LEU 32 7.508 1.511 -3.150
232 HB3 LEU 32 2HB LEU 32 9.189 1.527 -3.637
233 HG LEU 32 HG LEU 32 8.064 -0.622 -4.124
234 HD11 LEU 32 1HD1 LEU 32 10.467 -0.575 -3.793
235 HD12 LEU 32 2HD1 LEU 32 9.774 -2.081 -3.189
236 HD13 LEU 32 3HD1 LEU 32 10.250 -0.818 -2.059
237 HD21 LEU 32 3HD2 LEU 32 6.517 -0.712 -2.236
238 HD22 LEU 32 1HD2 LEU 32 7.875 -0.870 -1.124
239 HD23 LEU 32 2HD2 LEU 32 7.536 -2.149 -2.283
240 H SER 33 H SER 33 8.809 4.123 -0.749
241 HA SER 33 HA SER 33 11.316 4.750 -2.028
242 HB2 SER 33 1HB SER 33 9.424 6.384 -2.009
243 HB3 SER 33 2HB SER 33 9.574 6.510 -0.264
244 HG SER 33 HG SER 33 11.942 6.911 -1.495
245 H ARG 34 H ARG 34 10.679 3.158 0.646
246 HA ARG 34 HA ARG 34 12.812 4.339 2.309
247 HB2 ARG 34 1HB ARG 34 10.857 2.182 3.016
248 HB3 ARG 34 2HB ARG 34 11.908 3.058 4.106
249 HG2 ARG 34 1HG ARG 34 10.611 5.066 3.746
250 HG3 ARG 34 2HG ARG 34 9.579 4.197 2.605
251 HD2 ARG 34 1HD ARG 34 9.866 3.696 5.573
252 HD3 ARG 34 2HD ARG 34 8.474 4.276 4.658
253 HE ARG 34 HE ARG 34 9.351 1.680 3.822
254 HH11 ARG 34 1HH1 ARG 34 7.199 3.395 6.084
255 HH12 ARG 34 2HH1 ARG 34 6.297 2.000 6.459
256 HH21 ARG 34 1HH2 ARG 34 8.074 -0.186 4.313
257 HH22 ARG 34 2HH2 ARG 34 6.793 -0.064 5.438
258 H GLY 35 H GLY 35 14.068 2.601 3.444
259 HA2 GLY 35 1HA GLY 35 14.660 0.366 1.661
260 HA3 GLY 35 2HA GLY 35 15.635 0.892 3.040
261 H ALA 36 H ALA 36 13.412 1.244 4.767
262 HA ALA 36 HA ALA 36 12.011 -1.201 5.129
263 HB1 ALA 36 3HB ALA 36 14.175 -1.831 6.125
264 HB2 ALA 36 1HB ALA 36 12.978 -1.594 7.399
265 HB3 ALA 36 2HB ALA 36 14.183 -0.346 7.075
266 H ARG 37 H ARG 37 10.866 -0.825 7.420
267 HA ARG 37 HA ARG 37 9.434 1.574 7.240
268 HB2 ARG 37 1HB ARG 37 8.495 1.018 9.459
269 HB3 ARG 37 2HB ARG 37 8.474 -0.354 8.366
270 HG2 ARG 37 1HG ARG 37 10.418 -1.295 9.479
271 HG3 ARG 37 2HG ARG 37 10.499 0.101 10.555
272 HD2 ARG 37 1HD ARG 37 9.424 -1.757 11.678
273 HD3 ARG 37 2HD ARG 37 8.261 -0.457 11.415
274 HE ARG 37 HE ARG 37 8.427 -2.783 9.634
275 HH11 ARG 37 1HH1 ARG 37 6.449 -0.618 11.669
276 HH12 ARG 37 2HH1 ARG 37 5.002 -1.454 11.378
277 HH21 ARG 37 1HH2 ARG 37 6.425 -3.903 9.263
278 HH22 ARG 37 2HH2 ARG 37 4.979 -3.357 10.004
279 H ARG 38 H ARG 38 9.476 3.481 8.444
280 HA ARG 38 HA ARG 38 12.036 3.983 9.784
281 HB2 ARG 38 1HB ARG 38 10.459 5.988 8.150
282 HB3 ARG 38 2HB ARG 38 12.009 6.265 8.928
283 HG2 ARG 38 1HG ARG 38 12.962 4.497 7.419
284 HG3 ARG 38 2HG ARG 38 11.425 4.508 6.559
285 HD2 ARG 38 1HD ARG 38 13.339 6.811 6.899
286 HD3 ARG 38 2HD ARG 38 12.994 5.922 5.419
287 HE ARG 38 HE ARG 38 10.578 6.902 6.010
288 HH11 ARG 38 1HH1 ARG 38 13.763 8.453 5.902
289 HH12 ARG 38 2HH1 ARG 38 13.149 9.992 5.528
290 HH21 ARG 38 1HH2 ARG 38 9.742 9.045 5.506
291 HH22 ARG 38 2HH2 ARG 38 10.844 10.342 5.324
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -15.604 -8.136 2.018
2 H2 GLY 1 2H GLY 1 -14.856 -9.412 2.838
3 H3 GLY 1 3H GLY 1 -16.062 -8.499 3.607
4 HA2 GLY 1 1HA GLY 1 -16.443 -10.247 1.266
5 HA3 GLY 1 2HA GLY 1 -16.943 -10.594 2.922
6 H LYS 2 H LYS 2 -19.011 -10.793 1.592
7 HA LYS 2 HA LYS 2 -21.083 -10.110 1.119
8 HB2 LYS 2 1HB LYS 2 -20.379 -7.629 2.714
9 HB3 LYS 2 2HB LYS 2 -22.000 -8.111 2.228
10 HG2 LYS 2 1HG LYS 2 -21.711 -10.199 3.543
11 HG3 LYS 2 2HG LYS 2 -20.175 -9.573 4.127
12 HD2 LYS 2 1HD LYS 2 -21.854 -9.137 5.789
13 HD3 LYS 2 2HD LYS 2 -21.408 -7.604 5.041
14 HE2 LYS 2 1HE LYS 2 -23.822 -7.792 5.350
15 HE3 LYS 2 2HE LYS 2 -23.410 -7.687 3.642
16 HZ1 LYS 2 3HZ LYS 2 -25.091 -9.347 4.085
17 HZ2 LYS 2 1HZ LYS 2 -24.067 -10.182 5.126
18 HZ3 LYS 2 2HZ LYS 2 -23.706 -10.100 3.481
19 H GLN 3 H GLN 3 -18.979 -9.686 -0.601
20 HA GLN 3 HA GLN 3 -18.471 -8.858 -2.614
21 HB2 GLN 3 1HB GLN 3 -21.038 -7.232 -2.458
22 HB3 GLN 3 2HB GLN 3 -20.120 -7.546 -3.914
23 HG2 GLN 3 1HG GLN 3 -21.763 -9.493 -2.307
24 HG3 GLN 3 2HG GLN 3 -22.071 -8.919 -3.943
25 HE21 GLN 3 2HE2 GLN 3 -20.298 -11.098 -1.971
26 HE22 GLN 3 1HE2 GLN 3 -19.585 -12.039 -3.224
27 H GLN 4 H GLN 4 -18.665 -6.203 -3.609
28 HA GLN 4 HA GLN 4 -16.945 -4.937 -1.653
29 HB2 GLN 4 1HB GLN 4 -16.463 -4.973 -4.177
30 HB3 GLN 4 2HB GLN 4 -17.794 -3.844 -4.338
31 HG2 GLN 4 1HG GLN 4 -15.744 -2.623 -4.376
32 HG3 GLN 4 2HG GLN 4 -16.603 -2.258 -2.885
33 HE21 GLN 4 2HE2 GLN 4 -14.807 -5.244 -3.386
34 HE22 GLN 4 1HE2 GLN 4 -13.560 -4.876 -2.264
35 H GLU 5 H GLU 5 -18.456 -4.631 -0.091
36 HA GLU 5 HA GLU 5 -20.839 -3.032 -0.604
37 HB2 GLU 5 1HB GLU 5 -21.024 -5.139 0.664
38 HB3 GLU 5 2HB GLU 5 -19.877 -4.543 1.839
39 HG2 GLU 5 1HG GLU 5 -22.137 -4.460 2.685
40 HG3 GLU 5 2HG GLU 5 -21.443 -2.850 2.558
41 H SER 6 H SER 6 -18.426 -3.147 1.985
42 HA SER 6 HA SER 6 -17.925 -0.362 1.709
43 HB2 SER 6 1HB SER 6 -18.375 -0.111 4.278
44 HB3 SER 6 2HB SER 6 -19.710 0.017 3.138
45 HG SER 6 HG SER 6 -20.482 -1.377 4.530
46 H SER 7 H SER 7 -15.907 -1.071 1.128
47 HA SER 7 HA SER 7 -14.097 -1.223 3.291
48 HB2 SER 7 1HB SER 7 -14.675 -3.655 2.979
49 HB3 SER 7 2HB SER 7 -14.169 -3.524 1.296
50 HG SER 7 HG SER 7 -12.703 -3.868 3.518
51 H GLN 8 H GLN 8 -12.026 -0.736 2.530
52 HA GLN 8 HA GLN 8 -11.786 -0.098 -0.306
53 HB2 GLN 8 1HB GLN 8 -11.136 1.779 1.969
54 HB3 GLN 8 2HB GLN 8 -10.577 1.991 0.316
55 HG2 GLN 8 1HG GLN 8 -12.850 2.227 -0.465
56 HG3 GLN 8 2HG GLN 8 -13.471 1.914 1.157
57 HE21 GLN 8 2HE2 GLN 8 -11.443 3.528 2.499
58 HE22 GLN 8 1HE2 GLN 8 -11.820 5.166 2.135
59 H TYR 9 H TYR 9 -10.703 -2.042 1.936
60 HA TYR 9 HA TYR 9 -7.891 -1.276 1.636
61 HB2 TYR 9 1HB TYR 9 -8.919 -3.302 3.674
62 HB3 TYR 9 2HB TYR 9 -7.347 -2.589 3.525
63 HD1 TYR 9 HD1 TYR 9 -6.865 -0.319 4.164
64 HD2 TYR 9 HD2 TYR 9 -10.748 -1.977 4.678
65 HE1 TYR 9 HE1 TYR 9 -7.451 1.526 5.676
66 HE2 TYR 9 HE2 TYR 9 -11.339 -0.138 6.185
67 HH TYR 9 HH TYR 9 -10.206 1.465 7.621
68 H ILE 10 H ILE 10 -6.356 -2.753 1.004
69 HA ILE 10 HA ILE 10 -7.253 -5.301 0.122
70 HB ILE 10 HB ILE 10 -7.416 -3.637 -1.798
71 HG12 ILE 10 1HG1 ILE 10 -6.232 -5.044 -3.441
72 HG13 ILE 10 2HG1 ILE 10 -5.379 -5.844 -2.120
73 HG21 ILE 10 1HG2 ILE 10 -5.342 -2.863 -2.861
74 HG22 ILE 10 2HG2 ILE 10 -4.422 -3.514 -1.505
75 HG23 ILE 10 3HG2 ILE 10 -5.560 -2.194 -1.242
76 HD11 ILE 10 3HD1 ILE 10 -7.265 -7.182 -2.882
77 HD12 ILE 10 1HD1 ILE 10 -8.341 -5.814 -2.537
78 HD13 ILE 10 2HD1 ILE 10 -7.480 -6.596 -1.221
79 H HIS 11 H HIS 11 -5.359 -6.650 -0.213
80 HA HIS 11 HA HIS 11 -3.325 -6.322 1.714
81 HB2 HIS 11 1HB HIS 11 -4.027 -8.528 1.147
82 HB3 HIS 11 2HB HIS 11 -3.750 -8.247 -0.563
83 HD1 HIS 11 HD1 HIS 11 -1.995 -9.234 2.604
84 HD2 HIS 11 HD2 HIS 11 -1.097 -8.625 -1.408
85 HE1 HIS 11 HE1 HIS 11 0.308 -10.114 2.278
86 HE2 HIS 11 HE2 HIS 11 0.739 -9.925 -0.183
87 H CYS 12 H CYS 12 -1.738 -4.790 1.500
88 HA CYS 12 HA CYS 12 -0.593 -4.063 -0.984
89 HB2 CYS 12 1HB CYS 12 -0.392 -2.592 1.048
90 HB3 CYS 12 2HB CYS 12 0.514 -3.896 1.833
91 H GLU 13 H GLU 13 0.916 -5.097 -1.953
92 HA GLU 13 HA GLU 13 1.572 -7.819 -1.173
93 HB2 GLU 13 1HB GLU 13 2.518 -6.211 -3.546
94 HB3 GLU 13 2HB GLU 13 2.464 -7.959 -3.394
95 HG2 GLU 13 1HG GLU 13 0.139 -8.029 -3.548
96 HG3 GLU 13 2HG GLU 13 -0.019 -6.307 -3.225
97 H ASN 14 H ASN 14 2.751 -4.746 -0.933
98 HA ASN 14 HA ASN 14 5.526 -5.489 -1.043
99 HB2 ASN 14 1HB ASN 14 4.075 -2.921 -1.325
100 HB3 ASN 14 2HB ASN 14 5.795 -2.877 -0.862
101 HD21 ASN 14 2HD2 ASN 14 4.177 -2.334 -3.416
102 HD22 ASN 14 1HD2 ASN 14 5.065 -3.149 -4.632
103 H CYS 15 H CYS 15 3.400 -4.115 1.454
104 HA CYS 15 HA CYS 15 5.537 -5.074 3.223
105 HB2 CYS 15 1HB CYS 15 4.538 -3.640 5.047
106 HB3 CYS 15 2HB CYS 15 5.247 -2.723 3.712
107 H GLY 16 H GLY 16 2.811 -6.100 1.956
108 HA2 GLY 16 1HA GLY 16 1.369 -7.802 2.466
109 HA3 GLY 16 2HA GLY 16 2.416 -8.144 3.840
110 H ARG 17 H ARG 17 0.685 -5.186 3.187
111 HA ARG 17 HA ARG 17 -0.659 -5.602 5.777
112 HB2 ARG 17 1HB ARG 17 1.223 -4.107 5.949
113 HB3 ARG 17 2HB ARG 17 0.551 -3.053 4.731
114 HG2 ARG 17 1HG ARG 17 -1.383 -2.674 6.190
115 HG3 ARG 17 2HG ARG 17 -0.628 -3.697 7.416
116 HD2 ARG 17 1HD ARG 17 0.604 -1.275 6.212
117 HD3 ARG 17 2HD ARG 17 -0.269 -1.271 7.756
118 HE ARG 17 HE ARG 17 1.709 -3.211 7.906
119 HH11 ARG 17 1HH1 ARG 17 1.615 0.324 7.487
120 HH12 ARG 17 2HH1 ARG 17 3.045 0.584 8.359
121 HH21 ARG 17 1HH2 ARG 17 3.735 -2.780 9.115
122 HH22 ARG 17 2HH2 ARG 17 4.279 -1.176 9.250
123 H ASP 18 H ASP 18 -2.688 -4.866 6.029
124 HA ASP 18 HA ASP 18 -4.435 -4.619 3.776
125 HB2 ASP 18 1HB ASP 18 -5.052 -5.773 5.861
126 HB3 ASP 18 2HB ASP 18 -4.711 -4.224 6.689
127 H VAL 19 H VAL 19 -4.170 -2.798 2.775
128 HA VAL 19 HA VAL 19 -4.424 -0.224 4.212
129 HB VAL 19 HB VAL 19 -2.437 -0.765 1.962
130 HG11 VAL 19 1HG1 VAL 19 -3.249 1.553 1.966
131 HG12 VAL 19 2HG1 VAL 19 -1.553 1.467 2.440
132 HG13 VAL 19 3HG1 VAL 19 -2.796 1.707 3.665
133 HG21 VAL 19 3HG2 VAL 19 -0.682 -0.633 3.622
134 HG22 VAL 19 1HG2 VAL 19 -1.882 -1.841 4.106
135 HG23 VAL 19 2HG2 VAL 19 -1.881 -0.271 4.880
136 H SER 20 H SER 20 -5.286 1.512 2.829
137 HA SER 20 HA SER 20 -7.463 0.692 1.319
138 HB2 SER 20 1HB SER 20 -7.411 2.859 2.430
139 HB3 SER 20 2HB SER 20 -6.056 3.345 1.451
140 HG SER 20 HG SER 20 -8.342 3.976 0.854
141 H ALA 21 H ALA 21 -7.766 0.266 -0.691
142 HA ALA 21 HA ALA 21 -5.687 -0.133 -2.591
143 HB1 ALA 21 3HB ALA 21 -7.554 -0.630 -4.138
144 HB2 ALA 21 1HB ALA 21 -8.683 -0.023 -2.923
145 HB3 ALA 21 2HB ALA 21 -7.735 -1.468 -2.589
146 H ASN 22 H ASN 22 -7.914 2.372 -1.841
147 HA ASN 22 HA ASN 22 -7.601 3.918 -4.246
148 HB2 ASN 22 1HB ASN 22 -9.616 4.105 -2.819
149 HB3 ASN 22 2HB ASN 22 -8.627 4.731 -1.508
150 HD21 ASN 22 2HD2 ASN 22 -9.719 6.666 -1.375
151 HD22 ASN 22 1HD2 ASN 22 -9.620 7.889 -2.578
152 H ARG 23 H ARG 23 -5.907 3.571 -1.275
153 HA ARG 23 HA ARG 23 -4.352 5.997 -1.815
154 HB2 ARG 23 1HB ARG 23 -4.838 4.482 0.692
155 HB3 ARG 23 2HB ARG 23 -3.694 5.776 0.640
156 HG2 ARG 23 1HG ARG 23 -5.497 7.306 -0.097
157 HG3 ARG 23 2HG ARG 23 -6.639 5.970 0.052
158 HD2 ARG 23 1HD ARG 23 -6.744 7.307 2.013
159 HD3 ARG 23 2HD ARG 23 -5.992 5.746 2.391
160 HE ARG 23 HE ARG 23 -4.338 8.109 1.876
161 HH11 ARG 23 1HH1 ARG 23 -5.366 5.544 4.109
162 HH12 ARG 23 2HH1 ARG 23 -4.222 5.939 5.293
163 HH21 ARG 23 1HH2 ARG 23 -2.776 8.660 3.555
164 HH22 ARG 23 2HH2 ARG 23 -2.753 7.743 4.992
165 H LEU 24 H LEU 24 -4.104 2.942 -2.602
166 HA LEU 24 HA LEU 24 -1.838 1.930 -1.261
167 HB2 LEU 24 1HB LEU 24 -3.737 0.829 -2.794
168 HB3 LEU 24 2HB LEU 24 -2.457 0.945 -3.977
169 HG LEU 24 HG LEU 24 -2.511 -1.255 -3.055
170 HD11 LEU 24 1HD1 LEU 24 -0.280 -0.490 -3.600
171 HD12 LEU 24 2HD1 LEU 24 -0.185 -1.531 -2.182
172 HD13 LEU 24 3HD1 LEU 24 -0.115 0.208 -2.003
173 HD21 LEU 24 3HD2 LEU 24 -2.143 -0.006 -0.336
174 HD22 LEU 24 1HD2 LEU 24 -2.093 -1.735 -0.681
175 HD23 LEU 24 2HD2 LEU 24 -3.583 -0.828 -0.936
176 H ALA 25 H ALA 25 -2.185 3.644 -4.303
177 HA ALA 25 HA ALA 25 0.470 3.296 -5.211
178 HB1 ALA 25 3HB ALA 25 -1.311 5.660 -5.787
179 HB2 ALA 25 1HB ALA 25 -1.368 4.117 -6.646
180 HB3 ALA 25 2HB ALA 25 0.075 5.123 -6.736
181 H ALA 26 H ALA 26 -0.943 6.049 -3.440
182 HA ALA 26 HA ALA 26 1.468 7.482 -3.102
183 HB1 ALA 26 3HB ALA 26 -0.735 8.532 -2.808
184 HB2 ALA 26 1HB ALA 26 0.230 8.707 -1.341
185 HB3 ALA 26 2HB ALA 26 -1.049 7.499 -1.416
186 H HIS 27 H HIS 27 -0.213 5.058 -1.301
187 HA HIS 27 HA HIS 27 1.408 4.941 0.959
188 HB2 HIS 27 1HB HIS 27 -0.702 3.749 1.028
189 HB3 HIS 27 2HB HIS 27 -0.270 2.847 -0.404
190 HD1 HIS 27 HD1 HIS 27 0.716 3.022 3.258
191 HD2 HIS 27 HD2 HIS 27 1.090 0.592 -0.067
192 HE1 HIS 27 HE1 HIS 27 1.914 0.961 4.064
193 H LEU 28 H LEU 28 1.679 3.332 -2.189
194 HA LEU 28 HA LEU 28 3.870 1.763 -1.430
195 HB2 LEU 28 1HB LEU 28 2.372 2.126 -3.845
196 HB3 LEU 28 2HB LEU 28 4.109 2.330 -4.130
197 HG LEU 28 HG LEU 28 3.253 -0.000 -4.478
198 HD11 LEU 28 1HD1 LEU 28 5.594 0.600 -4.231
199 HD12 LEU 28 2HD1 LEU 28 5.259 -0.943 -3.452
200 HD13 LEU 28 3HD1 LEU 28 5.440 0.515 -2.480
201 HD21 LEU 28 3HD2 LEU 28 2.890 -1.374 -2.559
202 HD22 LEU 28 1HD2 LEU 28 1.813 0.004 -2.436
203 HD23 LEU 28 2HD2 LEU 28 3.266 -0.064 -1.446
204 H GLN 29 H GLN 29 3.581 4.941 -2.676
205 HA GLN 29 HA GLN 29 6.349 5.291 -3.078
206 HB2 GLN 29 1HB GLN 29 4.267 7.339 -2.327
207 HB3 GLN 29 2HB GLN 29 5.897 7.724 -2.873
208 HG2 GLN 29 1HG GLN 29 3.737 6.340 -4.452
209 HG3 GLN 29 2HG GLN 29 4.363 7.965 -4.714
210 HE21 GLN 29 2HE2 GLN 29 4.929 4.584 -5.136
211 HE22 GLN 29 1HE2 GLN 29 6.332 4.714 -6.119
212 H ARG 30 H ARG 30 4.300 5.719 -0.238
213 HA ARG 30 HA ARG 30 6.386 6.623 1.484
214 HB2 ARG 30 1HB ARG 30 3.875 6.851 1.822
215 HB3 ARG 30 2HB ARG 30 3.852 5.147 2.236
216 HG2 ARG 30 1HG ARG 30 3.830 6.394 4.264
217 HG3 ARG 30 2HG ARG 30 5.424 5.660 4.103
218 HD2 ARG 30 1HD ARG 30 5.577 7.991 4.853
219 HD3 ARG 30 2HD ARG 30 6.335 7.768 3.279
220 HE ARG 30 HE ARG 30 3.651 8.522 2.959
221 HH11 ARG 30 1HH1 ARG 30 6.725 9.940 4.011
222 HH12 ARG 30 2HH1 ARG 30 6.359 11.498 3.463
223 HH21 ARG 30 1HH2 ARG 30 3.156 10.683 2.189
224 HH22 ARG 30 2HH2 ARG 30 4.287 11.934 2.384
225 H CYS 31 H CYS 31 4.987 3.544 0.678
226 HA CYS 31 HA CYS 31 6.175 1.876 2.530
227 HB2 CYS 31 1HB CYS 31 4.132 1.453 1.048
228 HB3 CYS 31 2HB CYS 31 5.262 1.128 -0.248
229 H LEU 32 H LEU 32 6.990 2.264 -0.978
230 HA LEU 32 HA LEU 32 9.487 0.890 -0.443
231 HB2 LEU 32 1HB LEU 32 7.853 1.129 -2.917
232 HB3 LEU 32 2HB LEU 32 9.547 0.636 -2.999
233 HG LEU 32 HG LEU 32 7.213 -0.792 -1.733
234 HD11 LEU 32 1HD1 LEU 32 7.501 -1.120 -4.103
235 HD12 LEU 32 2HD1 LEU 32 7.882 -2.601 -3.227
236 HD13 LEU 32 3HD1 LEU 32 9.183 -1.590 -3.859
237 HD21 LEU 32 3HD2 LEU 32 8.836 -2.537 -1.020
238 HD22 LEU 32 1HD2 LEU 32 9.032 -1.021 -0.140
239 HD23 LEU 32 2HD2 LEU 32 10.151 -1.436 -1.431
240 H SER 33 H SER 33 8.459 4.112 -1.513
241 HA SER 33 HA SER 33 10.993 4.541 -2.755
242 HB2 SER 33 1HB SER 33 8.957 5.863 -3.425
243 HB3 SER 33 2HB SER 33 8.992 6.661 -1.857
244 HG SER 33 HG SER 33 10.293 8.021 -2.770
245 H ARG 34 H ARG 34 9.770 4.730 0.443
246 HA ARG 34 HA ARG 34 12.138 6.044 1.458
247 HB2 ARG 34 1HB ARG 34 9.937 4.550 2.885
248 HB3 ARG 34 2HB ARG 34 11.248 5.388 3.698
249 HG2 ARG 34 1HG ARG 34 10.469 7.489 2.649
250 HG3 ARG 34 2HG ARG 34 9.076 6.606 2.013
251 HD2 ARG 34 1HD ARG 34 8.478 7.736 4.067
252 HD3 ARG 34 2HD ARG 34 8.454 5.989 4.306
253 HE ARG 34 HE ARG 34 10.937 7.257 4.976
254 HH11 ARG 34 1HH1 ARG 34 7.806 6.131 6.220
255 HH12 ARG 34 2HH1 ARG 34 8.244 6.246 7.854
256 HH21 ARG 34 1HH2 ARG 34 11.582 7.326 7.258
257 HH22 ARG 34 2HH2 ARG 34 10.451 6.903 8.452
258 H GLY 35 H GLY 35 10.717 2.789 1.584
259 HA2 GLY 35 1HA GLY 35 12.364 1.123 0.748
260 HA3 GLY 35 2HA GLY 35 13.425 1.755 2.003
261 H ALA 36 H ALA 36 12.378 -0.881 1.566
262 HA ALA 36 HA ALA 36 11.177 -1.328 4.187
263 HB1 ALA 36 3HB ALA 36 9.379 -1.526 2.545
264 HB2 ALA 36 1HB ALA 36 9.804 -3.132 3.136
265 HB3 ALA 36 2HB ALA 36 10.369 -2.597 1.556
266 H ARG 37 H ARG 37 11.595 -3.675 4.767
267 HA ARG 37 HA ARG 37 14.003 -4.613 3.394
268 HB2 ARG 37 1HB ARG 37 15.088 -5.317 5.454
269 HB3 ARG 37 2HB ARG 37 14.742 -3.603 5.509
270 HG2 ARG 37 1HG ARG 37 13.089 -5.712 6.883
271 HG3 ARG 37 2HG ARG 37 14.415 -4.841 7.644
272 HD2 ARG 37 1HD ARG 37 11.874 -3.657 6.554
273 HD3 ARG 37 2HD ARG 37 12.283 -3.880 8.251
274 HE ARG 37 HE ARG 37 14.005 -2.189 6.587
275 HH11 ARG 37 1HH1 ARG 37 11.731 -2.486 9.273
276 HH12 ARG 37 2HH1 ARG 37 11.953 -0.878 9.793
277 HH21 ARG 37 1HH2 ARG 37 14.273 0.001 7.294
278 HH22 ARG 37 2HH2 ARG 37 13.407 0.565 8.655
279 H ARG 38 H ARG 38 10.955 -5.305 4.061
280 HA ARG 38 HA ARG 38 11.412 -8.182 4.279
281 HB2 ARG 38 1HB ARG 38 9.810 -7.030 5.848
282 HB3 ARG 38 2HB ARG 38 8.825 -6.618 4.455
283 HG2 ARG 38 1HG ARG 38 9.239 -9.375 4.276
284 HG3 ARG 38 2HG ARG 38 8.901 -9.053 5.979
285 HD2 ARG 38 1HD ARG 38 6.831 -9.491 4.832
286 HD3 ARG 38 2HD ARG 38 6.883 -7.781 5.272
287 HE ARG 38 HE ARG 38 7.890 -7.727 2.802
288 HH11 ARG 38 1HH1 ARG 38 4.925 -9.177 4.107
289 HH12 ARG 38 2HH1 ARG 38 4.107 -9.161 2.615
290 HH21 ARG 38 1HH2 ARG 38 6.739 -7.668 0.767
291 HH22 ARG 38 2HH2 ARG 38 5.169 -8.255 0.647
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -27.980 -6.578 1.747
2 H2 GLY 1 2H GLY 1 -27.250 -5.553 0.639
3 H3 GLY 1 3H GLY 1 -28.607 -5.031 1.483
4 HA2 GLY 1 1HA GLY 1 -27.361 -5.168 3.566
5 HA3 GLY 1 2HA GLY 1 -25.940 -5.630 2.628
6 H LYS 2 H LYS 2 -25.214 -4.095 0.989
7 HA LYS 2 HA LYS 2 -24.635 -2.135 0.142
8 HB2 LYS 2 1HB LYS 2 -26.989 -1.728 -0.263
9 HB3 LYS 2 2HB LYS 2 -27.204 -1.111 1.364
10 HG2 LYS 2 1HG LYS 2 -27.170 0.669 -0.243
11 HG3 LYS 2 2HG LYS 2 -25.774 0.793 0.831
12 HD2 LYS 2 1HD LYS 2 -24.407 -0.311 -0.938
13 HD3 LYS 2 2HD LYS 2 -25.820 -0.269 -1.996
14 HE2 LYS 2 1HE LYS 2 -24.462 2.119 -0.763
15 HE3 LYS 2 2HE LYS 2 -24.291 1.584 -2.431
16 HZ1 LYS 2 3HZ LYS 2 -26.837 2.483 -1.175
17 HZ2 LYS 2 1HZ LYS 2 -26.637 2.013 -2.780
18 HZ3 LYS 2 2HZ LYS 2 -25.870 3.401 -2.196
19 H GLN 3 H GLN 3 -25.360 -2.046 3.551
20 HA GLN 3 HA GLN 3 -23.770 0.309 3.974
21 HB2 GLN 3 1HB GLN 3 -24.930 -1.625 5.973
22 HB3 GLN 3 2HB GLN 3 -24.144 -0.106 6.379
23 HG2 GLN 3 1HG GLN 3 -25.862 1.089 5.072
24 HG3 GLN 3 2HG GLN 3 -26.672 -0.451 4.792
25 HE21 GLN 3 2HE2 GLN 3 -26.025 -1.409 7.521
26 HE22 GLN 3 1HE2 GLN 3 -27.107 -0.551 8.543
27 H GLN 4 H GLN 4 -21.710 0.180 3.682
28 HA GLN 4 HA GLN 4 -20.288 -2.220 4.612
29 HB2 GLN 4 1HB GLN 4 -20.373 -1.747 2.128
30 HB3 GLN 4 2HB GLN 4 -19.386 -0.325 2.442
31 HG2 GLN 4 1HG GLN 4 -17.623 -1.741 3.326
32 HG3 GLN 4 2HG GLN 4 -18.620 -3.167 3.051
33 HE21 GLN 4 2HE2 GLN 4 -19.616 -2.045 0.447
34 HE22 GLN 4 1HE2 GLN 4 -18.297 -2.268 -0.636
35 H GLU 5 H GLU 5 -20.373 1.273 4.455
36 HA GLU 5 HA GLU 5 -19.577 2.896 5.651
37 HB2 GLU 5 1HB GLU 5 -18.731 0.778 7.629
38 HB3 GLU 5 2HB GLU 5 -18.695 2.508 7.942
39 HG2 GLU 5 1HG GLU 5 -21.117 2.618 7.630
40 HG3 GLU 5 2HG GLU 5 -21.149 0.891 7.301
41 H SER 6 H SER 6 -16.933 0.721 6.593
42 HA SER 6 HA SER 6 -15.270 2.255 4.809
43 HB2 SER 6 1HB SER 6 -13.565 2.493 6.737
44 HB3 SER 6 2HB SER 6 -14.941 3.599 6.683
45 HG SER 6 HG SER 6 -15.937 2.418 8.249
46 H SER 7 H SER 7 -15.109 0.443 3.568
47 HA SER 7 HA SER 7 -12.940 -1.269 4.378
48 HB2 SER 7 1HB SER 7 -15.582 -2.427 3.409
49 HB3 SER 7 2HB SER 7 -14.098 -3.337 3.670
50 HG SER 7 HG SER 7 -14.733 -1.854 5.835
51 H GLN 8 H GLN 8 -11.649 -0.430 2.869
52 HA GLN 8 HA GLN 8 -12.322 -0.921 0.051
53 HB2 GLN 8 1HB GLN 8 -12.814 1.497 0.752
54 HB3 GLN 8 2HB GLN 8 -11.094 1.611 1.105
55 HG2 GLN 8 1HG GLN 8 -10.739 0.919 -1.321
56 HG3 GLN 8 2HG GLN 8 -12.434 1.372 -1.539
57 HE21 GLN 8 2HE2 GLN 8 -13.027 3.488 -1.246
58 HE22 GLN 8 1HE2 GLN 8 -11.891 4.783 -1.251
59 H TYR 9 H TYR 9 -10.593 -2.111 2.179
60 HA TYR 9 HA TYR 9 -7.965 -1.141 1.365
61 HB2 TYR 9 1HB TYR 9 -8.575 -3.081 3.616
62 HB3 TYR 9 2HB TYR 9 -7.072 -2.248 3.321
63 HD1 TYR 9 HD2 TYR 9 -10.604 -1.713 4.338
64 HD2 TYR 9 HD1 TYR 9 -6.642 -0.184 4.362
65 HE1 TYR 9 HE2 TYR 9 -11.293 0.016 5.932
66 HE2 TYR 9 HE1 TYR 9 -7.321 1.547 5.971
67 HH TYR 9 HH TYR 9 -9.403 2.688 6.611
68 H ILE 10 H ILE 10 -6.426 -2.671 0.587
69 HA ILE 10 HA ILE 10 -7.251 -5.421 0.328
70 HB ILE 10 HB ILE 10 -6.558 -5.728 -1.936
71 HG12 ILE 10 1HG1 ILE 10 -4.683 -4.152 -2.104
72 HG13 ILE 10 2HG1 ILE 10 -5.777 -3.960 -3.464
73 HG21 ILE 10 1HG2 ILE 10 -8.149 -4.414 -3.262
74 HG22 ILE 10 2HG2 ILE 10 -8.402 -3.372 -1.862
75 HG23 ILE 10 3HG2 ILE 10 -8.835 -5.080 -1.776
76 HD11 ILE 10 3HD1 ILE 10 -6.748 -2.017 -2.353
77 HD12 ILE 10 1HD1 ILE 10 -5.010 -1.831 -2.665
78 HD13 ILE 10 2HD1 ILE 10 -5.586 -2.249 -1.041
79 H HIS 11 H HIS 11 -5.310 -6.688 -0.454
80 HA HIS 11 HA HIS 11 -3.396 -6.206 1.630
81 HB2 HIS 11 1HB HIS 11 -4.359 -8.458 1.102
82 HB3 HIS 11 2HB HIS 11 -3.432 -8.449 -0.385
83 HD1 HIS 11 HD1 HIS 11 -2.965 -8.559 3.354
84 HD2 HIS 11 HD2 HIS 11 -0.807 -9.231 -0.117
85 HE1 HIS 11 HE1 HIS 11 -0.855 -9.684 4.087
86 HE2 HIS 11 HE2 HIS 11 0.275 -10.326 1.953
87 H CYS 12 H CYS 12 -1.668 -4.971 1.397
88 HA CYS 12 HA CYS 12 -0.393 -4.348 -1.078
89 HB2 CYS 12 1HB CYS 12 -0.461 -2.794 0.950
90 HB3 CYS 12 2HB CYS 12 0.493 -4.022 1.799
91 H GLU 13 H GLU 13 1.400 -5.418 -1.800
92 HA GLU 13 HA GLU 13 2.107 -7.902 -0.393
93 HB2 GLU 13 1HB GLU 13 1.668 -7.983 -2.854
94 HB3 GLU 13 2HB GLU 13 3.031 -6.895 -3.104
95 HG2 GLU 13 1HG GLU 13 4.484 -8.606 -1.997
96 HG3 GLU 13 2HG GLU 13 3.109 -9.703 -2.033
97 H ASN 14 H ASN 14 2.987 -4.782 -0.739
98 HA ASN 14 HA ASN 14 5.812 -5.096 -0.811
99 HB2 ASN 14 1HB ASN 14 4.038 -2.671 -0.543
100 HB3 ASN 14 2HB ASN 14 5.816 -2.570 -0.666
101 HD21 ASN 14 2HD2 ASN 14 6.753 -3.191 -2.665
102 HD22 ASN 14 1HD2 ASN 14 5.778 -3.312 -4.095
103 H CYS 15 H CYS 15 3.554 -4.013 1.700
104 HA CYS 15 HA CYS 15 5.643 -4.859 3.586
105 HB2 CYS 15 1HB CYS 15 4.523 -3.421 5.294
106 HB3 CYS 15 2HB CYS 15 5.153 -2.514 3.921
107 H GLY 16 H GLY 16 3.058 -6.026 2.145
108 HA2 GLY 16 1HA GLY 16 1.634 -7.791 2.577
109 HA3 GLY 16 2HA GLY 16 2.617 -8.096 4.002
110 H ARG 17 H ARG 17 0.786 -5.223 3.267
111 HA ARG 17 HA ARG 17 -0.776 -5.760 5.682
112 HB2 ARG 17 1HB ARG 17 0.885 -4.203 6.333
113 HB3 ARG 17 2HB ARG 17 0.627 -3.219 4.908
114 HG2 ARG 17 1HG ARG 17 -1.438 -2.414 5.760
115 HG3 ARG 17 2HG ARG 17 -1.419 -3.580 7.079
116 HD2 ARG 17 1HD ARG 17 -0.753 -1.259 7.718
117 HD3 ARG 17 2HD ARG 17 0.422 -2.508 8.115
118 HE ARG 17 HE ARG 17 1.499 -1.738 5.916
119 HH11 ARG 17 1HH1 ARG 17 -0.237 0.485 8.076
120 HH12 ARG 17 2HH1 ARG 17 0.848 1.775 7.848
121 HH21 ARG 17 1HH2 ARG 17 3.019 0.055 5.656
122 HH22 ARG 17 2HH2 ARG 17 2.734 1.506 6.470
123 H ASP 18 H ASP 18 -2.853 -4.899 5.792
124 HA ASP 18 HA ASP 18 -4.344 -4.846 3.355
125 HB2 ASP 18 1HB ASP 18 -4.951 -5.876 5.643
126 HB3 ASP 18 2HB ASP 18 -5.072 -4.159 6.095
127 H VAL 19 H VAL 19 -4.079 -2.978 2.309
128 HA VAL 19 HA VAL 19 -4.337 -0.497 3.872
129 HB VAL 19 HB VAL 19 -2.482 -0.983 1.527
130 HG11 VAL 19 1HG1 VAL 19 -3.321 1.329 1.516
131 HG12 VAL 19 2HG1 VAL 19 -1.614 1.276 1.967
132 HG13 VAL 19 3HG1 VAL 19 -2.847 1.505 3.208
133 HG21 VAL 19 3HG2 VAL 19 -0.697 -0.832 3.146
134 HG22 VAL 19 1HG2 VAL 19 -1.897 -2.018 3.685
135 HG23 VAL 19 2HG2 VAL 19 -1.871 -0.433 4.422
136 H SER 20 H SER 20 -5.477 1.168 3.037
137 HA SER 20 HA SER 20 -7.712 0.963 1.585
138 HB2 SER 20 1HB SER 20 -5.724 3.106 2.018
139 HB3 SER 20 2HB SER 20 -7.262 3.556 1.328
140 HG SER 20 HG SER 20 -8.152 3.165 3.242
141 H ALA 21 H ALA 21 -8.134 0.521 -0.502
142 HA ALA 21 HA ALA 21 -6.311 0.033 -2.516
143 HB1 ALA 21 3HB ALA 21 -9.203 0.818 -2.776
144 HB2 ALA 21 1HB ALA 21 -8.605 -0.813 -2.494
145 HB3 ALA 21 2HB ALA 21 -8.241 0.003 -4.020
146 H ASN 22 H ASN 22 -8.219 2.853 -1.915
147 HA ASN 22 HA ASN 22 -7.339 4.260 -4.295
148 HB2 ASN 22 1HB ASN 22 -9.485 4.849 -3.204
149 HB3 ASN 22 2HB ASN 22 -8.597 5.393 -1.787
150 HD21 ASN 22 2HD2 ASN 22 -9.423 6.100 -5.090
151 HD22 ASN 22 1HD2 ASN 22 -8.946 7.746 -5.076
152 H ARG 23 H ARG 23 -6.056 3.776 -1.221
153 HA ARG 23 HA ARG 23 -4.374 6.139 -1.308
154 HB2 ARG 23 1HB ARG 23 -5.789 5.449 0.685
155 HB3 ARG 23 2HB ARG 23 -4.664 4.108 0.844
156 HG2 ARG 23 1HG ARG 23 -4.192 5.949 2.381
157 HG3 ARG 23 2HG ARG 23 -2.853 5.606 1.268
158 HD2 ARG 23 1HD ARG 23 -3.317 8.013 1.546
159 HD3 ARG 23 2HD ARG 23 -3.455 7.421 -0.114
160 HE ARG 23 HE ARG 23 -5.943 7.491 1.331
161 HH11 ARG 23 1HH1 ARG 23 -3.750 9.410 -0.709
162 HH12 ARG 23 2HH1 ARG 23 -4.990 10.400 -1.307
163 HH21 ARG 23 1HH2 ARG 23 -7.610 8.824 0.442
164 HH22 ARG 23 2HH2 ARG 23 -7.218 10.039 -0.702
165 H LEU 24 H LEU 24 -4.292 2.841 -2.095
166 HA LEU 24 HA LEU 24 -1.807 2.149 -1.062
167 HB2 LEU 24 1HB LEU 24 -3.499 0.460 -1.624
168 HB3 LEU 24 2HB LEU 24 -3.301 0.797 -3.326
169 HG LEU 24 HG LEU 24 -1.075 -0.236 -3.330
170 HD11 LEU 24 1HD1 LEU 24 -1.459 -0.701 -0.365
171 HD12 LEU 24 2HD1 LEU 24 -0.417 0.523 -1.078
172 HD13 LEU 24 3HD1 LEU 24 -0.048 -1.173 -1.328
173 HD21 LEU 24 3HD2 LEU 24 -2.983 -1.938 -1.745
174 HD22 LEU 24 1HD2 LEU 24 -1.647 -2.511 -2.737
175 HD23 LEU 24 2HD2 LEU 24 -3.032 -1.730 -3.507
176 H ALA 25 H ALA 25 -2.573 3.968 -3.824
177 HA ALA 25 HA ALA 25 -0.182 3.565 -5.296
178 HB1 ALA 25 3HB ALA 25 -2.173 4.601 -6.302
179 HB2 ALA 25 1HB ALA 25 -0.763 5.649 -6.450
180 HB3 ALA 25 2HB ALA 25 -1.985 5.997 -5.234
181 H ALA 26 H ALA 26 -1.119 6.404 -3.284
182 HA ALA 26 HA ALA 26 1.476 7.499 -3.124
183 HB1 ALA 26 3HB ALA 26 -0.553 8.794 -2.637
184 HB2 ALA 26 1HB ALA 26 0.572 8.860 -1.281
185 HB3 ALA 26 2HB ALA 26 -0.843 7.811 -1.207
186 H HIS 27 H HIS 27 -0.248 5.183 -1.238
187 HA HIS 27 HA HIS 27 1.482 4.893 0.938
188 HB2 HIS 27 1HB HIS 27 -0.707 3.737 0.938
189 HB3 HIS 27 2HB HIS 27 -0.179 2.837 -0.467
190 HD1 HIS 27 HD1 HIS 27 0.689 3.077 3.213
191 HD2 HIS 27 HD2 HIS 27 1.210 0.609 -0.052
192 HE1 HIS 27 HE1 HIS 27 1.759 0.970 4.113
193 H LEU 28 H LEU 28 1.452 3.295 -2.257
194 HA LEU 28 HA LEU 28 3.653 1.688 -1.727
195 HB2 LEU 28 1HB LEU 28 1.933 2.134 -3.910
196 HB3 LEU 28 2HB LEU 28 3.584 2.390 -4.468
197 HG LEU 28 HG LEU 28 2.896 0.113 -4.856
198 HD11 LEU 28 1HD1 LEU 28 4.982 0.333 -2.706
199 HD12 LEU 28 2HD1 LEU 28 5.235 0.535 -4.443
200 HD13 LEU 28 3HD1 LEU 28 4.762 -1.036 -3.795
201 HD21 LEU 28 3HD2 LEU 28 1.269 -0.101 -3.048
202 HD22 LEU 28 1HD2 LEU 28 2.560 -0.068 -1.860
203 HD23 LEU 28 2HD2 LEU 28 2.440 -1.420 -2.984
204 H GLN 29 H GLN 29 3.379 4.929 -3.040
205 HA GLN 29 HA GLN 29 6.122 5.117 -3.633
206 HB2 GLN 29 1HB GLN 29 4.109 7.267 -3.031
207 HB3 GLN 29 2HB GLN 29 5.809 7.679 -3.171
208 HG2 GLN 29 1HG GLN 29 4.773 8.103 -5.273
209 HG3 GLN 29 2HG GLN 29 5.812 6.699 -5.454
210 HE21 GLN 29 2HE2 GLN 29 4.845 4.650 -5.817
211 HE22 GLN 29 1HE2 GLN 29 3.183 4.542 -6.279
212 H ARG 30 H ARG 30 4.451 5.665 -0.606
213 HA ARG 30 HA ARG 30 6.872 6.412 0.729
214 HB2 ARG 30 1HB ARG 30 4.706 7.201 1.528
215 HB3 ARG 30 2HB ARG 30 4.204 5.546 1.840
216 HG2 ARG 30 1HG ARG 30 5.712 5.317 3.628
217 HG3 ARG 30 2HG ARG 30 6.587 6.778 3.158
218 HD2 ARG 30 1HD ARG 30 5.225 7.250 5.078
219 HD3 ARG 30 2HD ARG 30 4.618 8.095 3.652
220 HE ARG 30 HE ARG 30 3.317 5.588 4.232
221 HH11 ARG 30 1HH1 ARG 30 3.243 9.091 4.570
222 HH12 ARG 30 2HH1 ARG 30 1.652 9.186 5.167
223 HH21 ARG 30 1HH2 ARG 30 1.117 5.663 5.048
224 HH22 ARG 30 2HH2 ARG 30 0.399 7.154 5.453
225 H CYS 31 H CYS 31 4.959 3.530 0.538
226 HA CYS 31 HA CYS 31 6.347 1.894 2.241
227 HB2 CYS 31 1HB CYS 31 4.075 1.465 1.220
228 HB3 CYS 31 2HB CYS 31 4.865 0.995 -0.265
229 H LEU 32 H LEU 32 7.041 2.748 -1.098
230 HA LEU 32 HA LEU 32 9.029 0.643 -1.356
231 HB2 LEU 32 1HB LEU 32 7.297 1.547 -3.154
232 HB3 LEU 32 2HB LEU 32 8.539 2.733 -3.440
233 HG LEU 32 HG LEU 32 8.644 0.947 -5.082
234 HD11 LEU 32 1HD1 LEU 32 11.004 0.803 -3.231
235 HD12 LEU 32 2HD1 LEU 32 10.751 1.981 -4.523
236 HD13 LEU 32 3HD1 LEU 32 10.970 0.279 -4.915
237 HD21 LEU 32 3HD2 LEU 32 9.194 -1.344 -4.482
238 HD22 LEU 32 1HD2 LEU 32 7.668 -0.842 -3.763
239 HD23 LEU 32 2HD2 LEU 32 9.127 -0.929 -2.771
240 H SER 33 H SER 33 8.904 4.263 -1.230
241 HA SER 33 HA SER 33 11.709 4.480 -1.672
242 HB2 SER 33 1HB SER 33 9.767 6.509 -0.597
243 HB3 SER 33 2HB SER 33 11.399 6.852 -1.176
244 HG SER 33 HG SER 33 10.116 5.457 -3.039
245 H ARG 34 H ARG 34 9.932 3.647 1.092
246 HA ARG 34 HA ARG 34 12.214 4.368 2.792
247 HB2 ARG 34 1HB ARG 34 9.296 4.212 3.503
248 HB3 ARG 34 2HB ARG 34 10.593 4.355 4.676
249 HG2 ARG 34 1HG ARG 34 11.217 6.508 3.745
250 HG3 ARG 34 2HG ARG 34 9.949 6.358 2.527
251 HD2 ARG 34 1HD ARG 34 9.223 7.751 4.410
252 HD3 ARG 34 2HD ARG 34 8.272 6.268 4.259
253 HE ARG 34 HE ARG 34 10.375 5.794 6.021
254 HH11 ARG 34 1HH1 ARG 34 7.501 7.851 5.941
255 HH12 ARG 34 2HH1 ARG 34 7.131 7.627 7.584
256 HH21 ARG 34 1HH2 ARG 34 9.894 5.542 8.280
257 HH22 ARG 34 2HH2 ARG 34 8.519 6.291 8.939
258 H GLY 35 H GLY 35 12.721 2.845 4.430
259 HA2 GLY 35 1HA GLY 35 12.384 0.738 5.479
260 HA3 GLY 35 2HA GLY 35 11.457 0.224 4.075
261 H ALA 36 H ALA 36 13.873 1.655 2.600
262 HA ALA 36 HA ALA 36 15.302 -0.820 2.223
263 HB1 ALA 36 3HB ALA 36 15.918 1.923 1.068
264 HB2 ALA 36 1HB ALA 36 14.885 0.707 0.308
265 HB3 ALA 36 2HB ALA 36 16.602 0.393 0.544
266 H ARG 37 H ARG 37 16.165 2.417 3.206
267 HA ARG 37 HA ARG 37 17.882 1.300 5.285
268 HB2 ARG 37 1HB ARG 37 19.363 1.868 3.347
269 HB3 ARG 37 2HB ARG 37 18.788 3.527 3.439
270 HG2 ARG 37 1HG ARG 37 19.742 3.772 5.648
271 HG3 ARG 37 2HG ARG 37 20.270 2.090 5.627
272 HD2 ARG 37 1HD ARG 37 21.698 2.575 3.694
273 HD3 ARG 37 2HD ARG 37 21.173 4.255 3.737
274 HE ARG 37 HE ARG 37 22.153 3.622 6.250
275 HH11 ARG 37 1HH1 ARG 37 23.415 3.929 2.967
276 HH12 ARG 37 2HH1 ARG 37 24.971 4.403 3.462
277 HH21 ARG 37 1HH2 ARG 37 24.269 4.244 6.930
278 HH22 ARG 37 2HH2 ARG 37 25.471 4.597 5.770
279 H ARG 38 H ARG 38 16.193 4.008 3.873
280 HA ARG 38 HA ARG 38 15.637 4.957 6.566
281 HB2 ARG 38 1HB ARG 38 17.104 6.554 5.351
282 HB3 ARG 38 2HB ARG 38 15.951 6.597 4.028
283 HG2 ARG 38 1HG ARG 38 14.288 7.599 5.488
284 HG3 ARG 38 2HG ARG 38 15.420 7.530 6.842
285 HD2 ARG 38 1HD ARG 38 16.946 8.994 5.639
286 HD3 ARG 38 2HD ARG 38 15.832 9.053 4.276
287 HE ARG 38 HE ARG 38 14.247 9.941 6.118
288 HH11 ARG 38 1HH1 ARG 38 17.673 10.743 5.630
289 HH12 ARG 38 2HH1 ARG 38 17.583 12.275 6.352
290 HH21 ARG 38 1HH2 ARG 38 14.112 12.119 7.100
291 HH22 ARG 38 2HH2 ARG 38 15.534 13.066 7.180
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -12.213 -11.944 10.349
2 H2 GLY 1 2H GLY 1 -12.867 -13.501 10.356
3 H3 GLY 1 3H GLY 1 -12.874 -12.587 11.764
4 HA2 GLY 1 1HA GLY 1 -14.385 -11.999 9.292
5 HA3 GLY 1 2HA GLY 1 -15.056 -12.601 10.804
6 H LYS 2 H LYS 2 -15.205 -11.250 12.583
7 HA LYS 2 HA LYS 2 -15.684 -9.393 13.713
8 HB2 LYS 2 1HB LYS 2 -13.631 -8.010 11.951
9 HB3 LYS 2 2HB LYS 2 -14.270 -7.383 13.462
10 HG2 LYS 2 1HG LYS 2 -13.210 -9.264 14.662
11 HG3 LYS 2 2HG LYS 2 -12.554 -9.838 13.128
12 HD2 LYS 2 1HD LYS 2 -11.958 -7.161 14.397
13 HD3 LYS 2 2HD LYS 2 -10.901 -8.564 14.462
14 HE2 LYS 2 1HE LYS 2 -10.654 -8.514 12.038
15 HE3 LYS 2 2HE LYS 2 -11.768 -7.153 11.931
16 HZ1 LYS 2 3HZ LYS 2 -9.058 -7.142 13.192
17 HZ2 LYS 2 1HZ LYS 2 -10.160 -5.869 13.302
18 HZ3 LYS 2 2HZ LYS 2 -9.552 -6.313 11.822
19 H GLN 3 H GLN 3 -14.984 -7.916 10.649
20 HA GLN 3 HA GLN 3 -17.555 -7.521 9.685
21 HB2 GLN 3 1HB GLN 3 -17.858 -5.931 11.535
22 HB3 GLN 3 2HB GLN 3 -16.331 -5.156 11.159
23 HG2 GLN 3 1HG GLN 3 -17.242 -4.400 9.025
24 HG3 GLN 3 2HG GLN 3 -18.780 -5.169 9.414
25 HE21 GLN 3 2HE2 GLN 3 -16.618 -2.544 10.141
26 HE22 GLN 3 1HE2 GLN 3 -17.739 -1.628 11.060
27 H GLN 4 H GLN 4 -14.590 -5.754 10.170
28 HA GLN 4 HA GLN 4 -13.021 -4.856 8.951
29 HB2 GLN 4 1HB GLN 4 -11.851 -6.242 7.285
30 HB3 GLN 4 2HB GLN 4 -12.243 -7.142 8.736
31 HG2 GLN 4 1HG GLN 4 -14.167 -8.138 7.527
32 HG3 GLN 4 2HG GLN 4 -13.636 -7.297 6.077
33 HE21 GLN 4 2HE2 GLN 4 -12.949 -9.814 8.323
34 HE22 GLN 4 1HE2 GLN 4 -11.804 -10.662 7.361
35 H GLU 5 H GLU 5 -12.319 -3.675 7.197
36 HA GLU 5 HA GLU 5 -14.366 -3.297 5.182
37 HB2 GLU 5 1HB GLU 5 -13.694 -0.854 5.138
38 HB3 GLU 5 2HB GLU 5 -14.568 -1.371 6.566
39 HG2 GLU 5 1HG GLU 5 -12.408 -1.487 7.765
40 HG3 GLU 5 2HG GLU 5 -11.619 -0.827 6.326
41 H SER 6 H SER 6 -12.359 -5.044 5.124
42 HA SER 6 HA SER 6 -10.137 -4.114 3.613
43 HB2 SER 6 1HB SER 6 -11.088 -6.858 4.411
44 HB3 SER 6 2HB SER 6 -9.579 -6.551 3.551
45 HG SER 6 HG SER 6 -8.795 -5.462 5.223
46 H SER 7 H SER 7 -12.969 -3.895 2.572
47 HA SER 7 HA SER 7 -12.521 -5.103 -0.043
48 HB2 SER 7 1HB SER 7 -14.879 -3.444 0.933
49 HB3 SER 7 2HB SER 7 -14.813 -4.450 -0.513
50 HG SER 7 HG SER 7 -15.436 -6.049 0.667
51 H GLN 8 H GLN 8 -12.647 -2.107 1.800
52 HA GLN 8 HA GLN 8 -11.766 -0.547 -0.489
53 HB2 GLN 8 1HB GLN 8 -12.525 0.239 2.316
54 HB3 GLN 8 2HB GLN 8 -11.781 1.314 1.124
55 HG2 GLN 8 1HG GLN 8 -13.670 1.114 -0.328
56 HG3 GLN 8 2HG GLN 8 -14.372 -0.158 0.662
57 HE21 GLN 8 2HE2 GLN 8 -12.946 2.746 2.051
58 HE22 GLN 8 1HE2 GLN 8 -14.441 3.418 2.578
59 H TYR 9 H TYR 9 -10.478 -2.430 1.866
60 HA TYR 9 HA TYR 9 -7.919 -1.045 1.566
61 HB2 TYR 9 1HB TYR 9 -8.762 -2.849 3.906
62 HB3 TYR 9 2HB TYR 9 -7.152 -2.278 3.598
63 HD1 TYR 9 HD2 TYR 9 -10.558 -0.795 3.989
64 HD2 TYR 9 HD1 TYR 9 -6.410 -0.494 4.782
65 HE1 TYR 9 HE2 TYR 9 -10.957 1.229 5.289
66 HE2 TYR 9 HE1 TYR 9 -6.795 1.548 6.077
67 HH TYR 9 HH TYR 9 -9.912 2.553 7.021
68 H ILE 10 H ILE 10 -6.322 -2.193 0.645
69 HA ILE 10 HA ILE 10 -7.043 -4.863 -0.192
70 HB ILE 10 HB ILE 10 -6.974 -3.088 -1.995
71 HG12 ILE 10 1HG1 ILE 10 -5.517 -4.363 -3.553
72 HG13 ILE 10 2HG1 ILE 10 -4.927 -5.291 -2.174
73 HG21 ILE 10 1HG2 ILE 10 -5.206 -1.693 -1.091
74 HG22 ILE 10 2HG2 ILE 10 -4.839 -2.199 -2.742
75 HG23 ILE 10 3HG2 ILE 10 -4.035 -2.977 -1.377
76 HD11 ILE 10 3HD1 ILE 10 -6.690 -6.480 -3.368
77 HD12 ILE 10 1HD1 ILE 10 -7.770 -5.110 -3.069
78 HD13 ILE 10 2HD1 ILE 10 -7.160 -6.045 -1.712
79 H HIS 11 H HIS 11 -5.231 -6.334 -0.205
80 HA HIS 11 HA HIS 11 -3.357 -5.588 1.836
81 HB2 HIS 11 1HB HIS 11 -2.649 -7.843 2.007
82 HB3 HIS 11 2HB HIS 11 -4.360 -7.962 1.669
83 HD1 HIS 11 HD1 HIS 11 -1.107 -9.141 0.596
84 HD2 HIS 11 HD2 HIS 11 -4.872 -8.809 -1.133
85 HE1 HIS 11 HE1 HIS 11 -1.037 -10.592 -1.433
86 HE2 HIS 11 HE2 HIS 11 -3.402 -10.669 -2.193
87 H CYS 12 H CYS 12 -1.522 -4.709 1.519
88 HA CYS 12 HA CYS 12 -0.530 -4.061 -1.032
89 HB2 CYS 12 1HB CYS 12 -0.233 -2.611 0.919
90 HB3 CYS 12 2HB CYS 12 0.614 -3.892 1.760
91 H GLU 13 H GLU 13 1.105 -5.008 -2.066
92 HA GLU 13 HA GLU 13 1.912 -7.700 -1.289
93 HB2 GLU 13 1HB GLU 13 3.020 -7.794 -3.453
94 HB3 GLU 13 2HB GLU 13 1.392 -7.162 -3.660
95 HG2 GLU 13 1HG GLU 13 2.194 -4.930 -3.927
96 HG3 GLU 13 2HG GLU 13 3.809 -5.398 -3.418
97 H ASN 14 H ASN 14 2.948 -4.556 -0.905
98 HA ASN 14 HA ASN 14 5.759 -5.179 -1.181
99 HB2 ASN 14 1HB ASN 14 4.446 -2.912 -1.857
100 HB3 ASN 14 2HB ASN 14 4.893 -2.482 -0.253
101 HD21 ASN 14 2HD2 ASN 14 6.910 -2.072 0.427
102 HD22 ASN 14 1HD2 ASN 14 8.251 -1.968 -0.635
103 H CYS 15 H CYS 15 3.583 -4.130 1.407
104 HA CYS 15 HA CYS 15 5.602 -5.223 3.239
105 HB2 CYS 15 1HB CYS 15 4.625 -3.783 5.030
106 HB3 CYS 15 2HB CYS 15 5.330 -2.845 3.713
107 H GLY 16 H GLY 16 2.951 -6.143 1.750
108 HA2 GLY 16 1HA GLY 16 1.338 -7.761 2.124
109 HA3 GLY 16 2HA GLY 16 2.325 -8.270 3.485
110 H ARG 17 H ARG 17 0.678 -5.171 3.054
111 HA ARG 17 HA ARG 17 -0.729 -5.814 5.541
112 HB2 ARG 17 1HB ARG 17 1.228 -4.457 5.946
113 HB3 ARG 17 2HB ARG 17 0.645 -3.225 4.852
114 HG2 ARG 17 1HG ARG 17 -1.111 -2.667 6.309
115 HG3 ARG 17 2HG ARG 17 -0.783 -4.075 7.335
116 HD2 ARG 17 1HD ARG 17 1.442 -3.174 7.846
117 HD3 ARG 17 2HD ARG 17 1.086 -1.759 6.864
118 HE ARG 17 HE ARG 17 -0.586 -1.158 8.411
119 HH11 ARG 17 1HH1 ARG 17 1.518 -3.806 9.595
120 HH12 ARG 17 2HH1 ARG 17 1.356 -3.351 11.222
121 HH21 ARG 17 1HH2 ARG 17 -0.773 -0.591 10.707
122 HH22 ARG 17 2HH2 ARG 17 0.061 -1.549 11.860
123 H ASP 18 H ASP 18 -2.746 -4.837 5.961
124 HA ASP 18 HA ASP 18 -4.521 -4.498 3.746
125 HB2 ASP 18 1HB ASP 18 -5.075 -5.655 5.901
126 HB3 ASP 18 2HB ASP 18 -4.782 -4.060 6.645
127 H VAL 19 H VAL 19 -4.099 -2.644 2.749
128 HA VAL 19 HA VAL 19 -4.400 -0.125 4.279
129 HB VAL 19 HB VAL 19 -2.481 -0.528 1.959
130 HG11 VAL 19 1HG1 VAL 19 -3.292 1.770 2.152
131 HG12 VAL 19 2HG1 VAL 19 -1.589 1.663 2.600
132 HG13 VAL 19 3HG1 VAL 19 -2.822 1.800 3.853
133 HG21 VAL 19 3HG2 VAL 19 -0.686 -0.516 3.608
134 HG22 VAL 19 1HG2 VAL 19 -1.871 -1.783 3.971
135 HG23 VAL 19 2HG2 VAL 19 -1.891 -0.309 4.905
136 H SER 20 H SER 20 -5.521 1.593 3.175
137 HA SER 20 HA SER 20 -7.753 0.972 1.763
138 HB2 SER 20 1HB SER 20 -6.217 3.546 1.551
139 HB3 SER 20 2HB SER 20 -7.961 3.312 1.491
140 HG SER 20 HG SER 20 -6.865 4.020 3.549
141 H ALA 21 H ALA 21 -8.232 0.535 -0.205
142 HA ALA 21 HA ALA 21 -6.425 -0.293 -2.157
143 HB1 ALA 21 3HB ALA 21 -9.326 0.463 -2.386
144 HB2 ALA 21 1HB ALA 21 -8.694 -1.127 -1.994
145 HB3 ALA 21 2HB ALA 21 -8.428 -0.445 -3.606
146 H ASN 22 H ASN 22 -8.227 2.668 -1.838
147 HA ASN 22 HA ASN 22 -7.444 3.844 -4.331
148 HB2 ASN 22 1HB ASN 22 -9.457 4.587 -3.154
149 HB3 ASN 22 2HB ASN 22 -8.490 5.108 -1.790
150 HD21 ASN 22 2HD2 ASN 22 -9.448 5.832 -5.056
151 HD22 ASN 22 1HD2 ASN 22 -8.887 7.459 -5.062
152 H ARG 23 H ARG 23 -5.967 3.527 -1.290
153 HA ARG 23 HA ARG 23 -4.205 5.826 -1.706
154 HB2 ARG 23 1HB ARG 23 -4.586 4.117 0.727
155 HB3 ARG 23 2HB ARG 23 -3.639 5.569 0.677
156 HG2 ARG 23 1HG ARG 23 -6.625 5.389 0.284
157 HG3 ARG 23 2HG ARG 23 -5.792 6.005 1.712
158 HD2 ARG 23 1HD ARG 23 -4.911 7.853 0.446
159 HD3 ARG 23 2HD ARG 23 -5.572 7.185 -1.047
160 HE ARG 23 HE ARG 23 -7.745 7.427 0.462
161 HH11 ARG 23 1HH1 ARG 23 -5.166 9.704 -0.284
162 HH12 ARG 23 2HH1 ARG 23 -6.194 11.073 -0.280
163 HH21 ARG 23 1HH2 ARG 23 -9.157 9.331 0.428
164 HH22 ARG 23 2HH2 ARG 23 -8.472 10.858 0.114
165 H LEU 24 H LEU 24 -4.213 2.567 -2.378
166 HA LEU 24 HA LEU 24 -1.830 1.670 -1.220
167 HB2 LEU 24 1HB LEU 24 -3.698 0.311 -2.436
168 HB3 LEU 24 2HB LEU 24 -2.772 0.618 -3.881
169 HG LEU 24 HG LEU 24 -2.393 -1.618 -2.950
170 HD11 LEU 24 1HD1 LEU 24 0.169 -1.613 -2.865
171 HD12 LEU 24 2HD1 LEU 24 0.050 0.132 -2.990
172 HD13 LEU 24 3HD1 LEU 24 -0.575 -0.872 -4.281
173 HD21 LEU 24 3HD2 LEU 24 -2.685 -1.148 -0.602
174 HD22 LEU 24 1HD2 LEU 24 -1.196 -0.202 -0.577
175 HD23 LEU 24 2HD2 LEU 24 -1.135 -1.940 -0.877
176 H ALA 25 H ALA 25 -2.426 3.267 -4.253
177 HA ALA 25 HA ALA 25 0.123 3.135 -5.354
178 HB1 ALA 25 3HB ALA 25 -0.445 5.088 -6.667
179 HB2 ALA 25 1HB ALA 25 -1.784 5.455 -5.582
180 HB3 ALA 25 2HB ALA 25 -1.819 3.991 -6.573
181 H ALA 26 H ALA 26 -1.137 5.944 -3.457
182 HA ALA 26 HA ALA 26 1.378 7.242 -3.286
183 HB1 ALA 26 3HB ALA 26 -0.752 8.422 -2.902
184 HB2 ALA 26 1HB ALA 26 0.338 8.617 -1.528
185 HB3 ALA 26 2HB ALA 26 -1.005 7.476 -1.434
186 H HIS 27 H HIS 27 -0.274 4.953 -1.336
187 HA HIS 27 HA HIS 27 1.398 4.819 0.887
188 HB2 HIS 27 1HB HIS 27 -0.712 3.579 0.962
189 HB3 HIS 27 2HB HIS 27 -0.250 2.688 -0.461
190 HD1 HIS 27 HD1 HIS 27 0.701 2.870 3.224
191 HD2 HIS 27 HD2 HIS 27 1.174 0.465 -0.102
192 HE1 HIS 27 HE1 HIS 27 1.902 0.853 4.043
193 H LEU 28 H LEU 28 1.553 3.185 -2.250
194 HA LEU 28 HA LEU 28 3.778 1.622 -1.572
195 HB2 LEU 28 1HB LEU 28 2.061 1.815 -3.776
196 HB3 LEU 28 2HB LEU 28 3.683 2.184 -4.357
197 HG LEU 28 HG LEU 28 3.026 -0.215 -4.561
198 HD11 LEU 28 1HD1 LEU 28 5.411 0.389 -2.808
199 HD12 LEU 28 2HD1 LEU 28 5.384 0.480 -4.571
200 HD13 LEU 28 3HD1 LEU 28 5.185 -1.076 -3.764
201 HD21 LEU 28 3HD2 LEU 28 3.460 -0.317 -1.588
202 HD22 LEU 28 1HD2 LEU 28 2.898 -1.604 -2.636
203 HD23 LEU 28 2HD2 LEU 28 1.863 -0.200 -2.278
204 H GLN 29 H GLN 29 3.417 4.765 -3.033
205 HA GLN 29 HA GLN 29 6.164 5.011 -3.628
206 HB2 GLN 29 1HB GLN 29 4.063 7.106 -3.132
207 HB3 GLN 29 2HB GLN 29 5.747 7.574 -3.287
208 HG2 GLN 29 1HG GLN 29 4.729 7.874 -5.400
209 HG3 GLN 29 2HG GLN 29 5.773 6.463 -5.525
210 HE21 GLN 29 2HE2 GLN 29 4.757 4.383 -5.777
211 HE22 GLN 29 1HE2 GLN 29 3.107 4.278 -6.256
212 H ARG 30 H ARG 30 4.392 5.651 -0.684
213 HA ARG 30 HA ARG 30 6.663 6.570 0.758
214 HB2 ARG 30 1HB ARG 30 4.454 7.264 1.384
215 HB3 ARG 30 2HB ARG 30 3.931 5.604 1.542
216 HG2 ARG 30 1HG ARG 30 5.054 5.309 3.556
217 HG3 ARG 30 2HG ARG 30 6.071 6.730 3.301
218 HD2 ARG 30 1HD ARG 30 4.250 7.077 4.959
219 HD3 ARG 30 2HD ARG 30 4.220 8.200 3.603
220 HE ARG 30 HE ARG 30 2.422 5.892 3.919
221 HH11 ARG 30 1HH1 ARG 30 3.069 9.127 2.584
222 HH12 ARG 30 2HH1 ARG 30 1.463 9.423 2.154
223 HH21 ARG 30 1HH2 ARG 30 0.174 6.317 3.276
224 HH22 ARG 30 2HH2 ARG 30 -0.208 7.792 2.544
225 H CYS 31 H CYS 31 4.914 3.548 0.554
226 HA CYS 31 HA CYS 31 6.193 1.997 2.398
227 HB2 CYS 31 1HB CYS 31 4.100 1.435 1.056
228 HB3 CYS 31 2HB CYS 31 5.161 1.065 -0.279
229 H LEU 32 H LEU 32 7.008 2.684 -0.970
230 HA LEU 32 HA LEU 32 9.147 0.779 -1.041
231 HB2 LEU 32 1HB LEU 32 7.431 1.671 -2.916
232 HB3 LEU 32 2HB LEU 32 8.726 2.803 -3.181
233 HG LEU 32 HG LEU 32 8.727 0.839 -4.716
234 HD11 LEU 32 1HD1 LEU 32 10.760 2.073 -4.438
235 HD12 LEU 32 2HD1 LEU 32 11.138 0.350 -4.532
236 HD13 LEU 32 3HD1 LEU 32 11.149 1.184 -2.973
237 HD21 LEU 32 3HD2 LEU 32 9.397 -1.330 -3.922
238 HD22 LEU 32 1HD2 LEU 32 7.968 -0.838 -3.023
239 HD23 LEU 32 2HD2 LEU 32 9.553 -0.745 -2.275
240 H SER 33 H SER 33 8.798 4.335 -0.851
241 HA SER 33 HA SER 33 11.619 4.730 -1.069
242 HB2 SER 33 1HB SER 33 9.957 6.457 -1.739
243 HB3 SER 33 2HB SER 33 9.512 6.642 -0.046
244 HG SER 33 HG SER 33 11.908 7.015 0.191
245 H ARG 34 H ARG 34 9.647 3.673 1.444
246 HA ARG 34 HA ARG 34 11.713 4.323 3.419
247 HB2 ARG 34 1HB ARG 34 8.770 3.740 3.796
248 HB3 ARG 34 2HB ARG 34 9.921 3.847 5.123
249 HG2 ARG 34 1HG ARG 34 10.363 6.156 4.610
250 HG3 ARG 34 2HG ARG 34 9.343 6.069 3.172
251 HD2 ARG 34 1HD ARG 34 8.211 7.171 5.056
252 HD3 ARG 34 2HD ARG 34 7.394 5.694 4.560
253 HE ARG 34 HE ARG 34 8.763 4.692 6.509
254 HH11 ARG 34 1HH1 ARG 34 7.308 7.948 6.540
255 HH12 ARG 34 2HH1 ARG 34 7.044 7.942 8.217
256 HH21 ARG 34 1HH2 ARG 34 8.397 4.710 8.781
257 HH22 ARG 34 2HH2 ARG 34 7.682 6.068 9.526
258 H GLY 35 H GLY 35 11.331 2.108 1.378
259 HA2 GLY 35 1HA GLY 35 12.631 0.079 2.614
260 HA3 GLY 35 2HA GLY 35 10.924 -0.279 2.887
261 H ALA 36 H ALA 36 13.374 0.275 0.466
262 HA ALA 36 HA ALA 36 11.659 -0.296 -1.713
263 HB1 ALA 36 3HB ALA 36 14.668 -0.226 -1.642
264 HB2 ALA 36 1HB ALA 36 13.617 1.156 -1.955
265 HB3 ALA 36 2HB ALA 36 13.654 -0.197 -3.087
266 H ARG 37 H ARG 37 10.766 -2.165 -1.722
267 HA ARG 37 HA ARG 37 12.068 -4.613 -1.051
268 HB2 ARG 37 1HB ARG 37 9.622 -4.186 -0.791
269 HB3 ARG 37 2HB ARG 37 9.467 -4.122 -2.532
270 HG2 ARG 37 1HG ARG 37 9.974 -6.455 -2.726
271 HG3 ARG 37 2HG ARG 37 10.372 -6.564 -1.007
272 HD2 ARG 37 1HD ARG 37 8.042 -5.935 -0.466
273 HD3 ARG 37 2HD ARG 37 7.673 -5.910 -2.187
274 HE ARG 37 HE ARG 37 8.223 -8.300 -2.204
275 HH11 ARG 37 1HH1 ARG 37 7.287 -6.835 0.903
276 HH12 ARG 37 2HH1 ARG 37 6.696 -8.278 1.569
277 HH21 ARG 37 1HH2 ARG 37 7.366 -10.254 -1.302
278 HH22 ARG 37 2HH2 ARG 37 6.716 -10.289 0.277
279 H ARG 38 H ARG 38 12.096 -2.615 -3.726
280 HA ARG 38 HA ARG 38 13.268 -4.675 -5.422
281 HB2 ARG 38 1HB ARG 38 11.059 -3.928 -6.292
282 HB3 ARG 38 2HB ARG 38 11.617 -2.266 -6.250
283 HG2 ARG 38 1HG ARG 38 11.654 -3.106 -8.518
284 HG3 ARG 38 2HG ARG 38 13.296 -2.800 -7.964
285 HD2 ARG 38 1HD ARG 38 13.649 -5.165 -7.576
286 HD3 ARG 38 2HD ARG 38 11.965 -5.512 -7.980
287 HE ARG 38 HE ARG 38 13.146 -4.169 -10.125
288 HH11 ARG 38 1HH1 ARG 38 13.395 -7.367 -8.539
289 HH12 ARG 38 2HH1 ARG 38 13.827 -8.163 -9.973
290 HH21 ARG 38 1HH2 ARG 38 13.753 -5.365 -12.113
291 HH22 ARG 38 2HH2 ARG 38 14.052 -7.015 -11.994
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -12.589 -2.567 12.341
2 H2 GLY 1 2H GLY 1 -13.645 -2.859 11.065
3 H3 GLY 1 3H GLY 1 -13.379 -4.059 12.203
4 HA2 GLY 1 1HA GLY 1 -14.379 -2.657 13.910
5 HA3 GLY 1 2HA GLY 1 -14.718 -1.478 12.649
6 H LYS 2 H LYS 2 -16.919 -1.671 13.028
7 HA LYS 2 HA LYS 2 -18.233 -4.201 12.886
8 HB2 LYS 2 1HB LYS 2 -19.381 -1.413 12.859
9 HB3 LYS 2 2HB LYS 2 -20.314 -2.895 13.015
10 HG2 LYS 2 1HG LYS 2 -18.263 -1.881 14.983
11 HG3 LYS 2 2HG LYS 2 -20.013 -1.821 15.181
12 HD2 LYS 2 1HD LYS 2 -20.091 -4.275 15.128
13 HD3 LYS 2 2HD LYS 2 -18.339 -4.316 14.938
14 HE2 LYS 2 1HE LYS 2 -18.065 -3.225 17.100
15 HE3 LYS 2 2HE LYS 2 -19.817 -3.162 17.294
16 HZ1 LYS 2 3HZ LYS 2 -18.771 -5.023 18.471
17 HZ2 LYS 2 1HZ LYS 2 -18.227 -5.634 17.006
18 HZ3 LYS 2 2HZ LYS 2 -19.888 -5.565 17.324
19 H GLN 3 H GLN 3 -17.711 -1.544 10.661
20 HA GLN 3 HA GLN 3 -19.338 -2.853 8.656
21 HB2 GLN 3 1HB GLN 3 -17.646 -0.370 8.484
22 HB3 GLN 3 2HB GLN 3 -18.628 -0.991 7.159
23 HG2 GLN 3 1HG GLN 3 -20.624 -0.673 8.610
24 HG3 GLN 3 2HG GLN 3 -19.570 0.082 9.804
25 HE21 GLN 3 2HE2 GLN 3 -17.901 1.323 7.667
26 HE22 GLN 3 1HE2 GLN 3 -18.833 2.644 7.085
27 H GLN 4 H GLN 4 -18.098 -4.746 8.802
28 HA GLN 4 HA GLN 4 -15.379 -4.791 7.838
29 HB2 GLN 4 1HB GLN 4 -15.526 -7.211 8.185
30 HB3 GLN 4 2HB GLN 4 -16.096 -6.324 9.592
31 HG2 GLN 4 1HG GLN 4 -18.419 -6.688 8.830
32 HG3 GLN 4 2HG GLN 4 -17.799 -7.674 7.512
33 HE21 GLN 4 2HE2 GLN 4 -16.918 -9.700 7.996
34 HE22 GLN 4 1HE2 GLN 4 -17.232 -10.477 9.498
35 H GLU 5 H GLU 5 -18.279 -4.577 6.325
36 HA GLU 5 HA GLU 5 -17.387 -6.079 3.965
37 HB2 GLU 5 1HB GLU 5 -19.748 -5.911 3.220
38 HB3 GLU 5 2HB GLU 5 -19.543 -6.766 4.739
39 HG2 GLU 5 1HG GLU 5 -20.190 -4.701 5.941
40 HG3 GLU 5 2HG GLU 5 -20.529 -3.957 4.376
41 H SER 6 H SER 6 -17.404 -3.051 5.195
42 HA SER 6 HA SER 6 -17.942 -1.649 2.701
43 HB2 SER 6 1HB SER 6 -17.197 -0.564 5.411
44 HB3 SER 6 2HB SER 6 -17.961 0.304 4.076
45 HG SER 6 HG SER 6 -19.830 -0.535 4.579
46 H SER 7 H SER 7 -15.469 -3.317 3.847
47 HA SER 7 HA SER 7 -13.314 -1.570 3.967
48 HB2 SER 7 1HB SER 7 -12.169 -3.922 3.614
49 HB3 SER 7 2HB SER 7 -12.993 -3.507 5.122
50 HG SER 7 HG SER 7 -13.910 -5.117 2.981
51 H GLN 8 H GLN 8 -12.459 -0.482 2.360
52 HA GLN 8 HA GLN 8 -12.366 -1.565 -0.373
53 HB2 GLN 8 1HB GLN 8 -11.865 1.175 0.774
54 HB3 GLN 8 2HB GLN 8 -11.533 0.762 -0.899
55 HG2 GLN 8 1HG GLN 8 -13.872 0.237 -1.229
56 HG3 GLN 8 2HG GLN 8 -14.219 0.626 0.461
57 HE21 GLN 8 2HE2 GLN 8 -12.016 2.422 -1.593
58 HE22 GLN 8 1HE2 GLN 8 -12.979 3.854 -1.676
59 H TYR 9 H TYR 9 -10.740 -2.390 1.950
60 HA TYR 9 HA TYR 9 -8.105 -1.343 1.316
61 HB2 TYR 9 1HB TYR 9 -8.769 -3.345 3.511
62 HB3 TYR 9 2HB TYR 9 -7.335 -2.398 3.288
63 HD1 TYR 9 HD2 TYR 9 -10.929 -2.070 4.125
64 HD2 TYR 9 HD1 TYR 9 -7.089 -0.265 4.235
65 HE1 TYR 9 HE2 TYR 9 -11.812 -0.310 5.569
66 HE2 TYR 9 HE1 TYR 9 -7.965 1.512 5.700
67 HH TYR 9 HH TYR 9 -10.035 2.543 6.246
68 H ILE 10 H ILE 10 -6.479 -2.575 0.603
69 HA ILE 10 HA ILE 10 -7.127 -5.249 -0.289
70 HB ILE 10 HB ILE 10 -7.025 -3.359 -2.072
71 HG12 ILE 10 1HG1 ILE 10 -5.692 -4.755 -3.655
72 HG13 ILE 10 2HG1 ILE 10 -5.243 -5.769 -2.278
73 HG21 ILE 10 1HG2 ILE 10 -5.137 -2.119 -1.225
74 HG22 ILE 10 2HG2 ILE 10 -4.807 -2.690 -2.858
75 HG23 ILE 10 3HG2 ILE 10 -4.081 -3.511 -1.475
76 HD11 ILE 10 3HD1 ILE 10 -7.553 -6.283 -1.868
77 HD12 ILE 10 1HD1 ILE 10 -7.137 -6.694 -3.535
78 HD13 ILE 10 2HD1 ILE 10 -8.046 -5.213 -3.166
79 H HIS 11 H HIS 11 -5.137 -6.604 -0.175
80 HA HIS 11 HA HIS 11 -3.461 -5.499 1.898
81 HB2 HIS 11 1HB HIS 11 -2.592 -7.631 2.402
82 HB3 HIS 11 2HB HIS 11 -4.286 -7.919 2.063
83 HD1 HIS 11 HD1 HIS 11 -1.190 -9.473 1.627
84 HD2 HIS 11 HD2 HIS 11 -4.381 -8.798 -0.936
85 HE1 HIS 11 HE1 HIS 11 -0.963 -11.186 -0.178
86 HE2 HIS 11 HE2 HIS 11 -2.773 -10.621 -1.828
87 H CYS 12 H CYS 12 -1.632 -4.595 1.635
88 HA CYS 12 HA CYS 12 -0.499 -4.133 -0.908
89 HB2 CYS 12 1HB CYS 12 -0.283 -2.559 1.020
90 HB3 CYS 12 2HB CYS 12 0.623 -3.844 1.850
91 H GLU 13 H GLU 13 0.967 -5.334 -1.835
92 HA GLU 13 HA GLU 13 1.912 -7.612 -0.325
93 HB2 GLU 13 1HB GLU 13 1.724 -7.221 -3.303
94 HB3 GLU 13 2HB GLU 13 2.395 -8.663 -2.536
95 HG2 GLU 13 1HG GLU 13 0.233 -8.932 -1.322
96 HG3 GLU 13 2HG GLU 13 -0.402 -7.608 -2.280
97 H ASN 14 H ASN 14 2.815 -4.751 -0.784
98 HA ASN 14 HA ASN 14 5.622 -5.309 -1.284
99 HB2 ASN 14 1HB ASN 14 3.976 -2.826 -1.389
100 HB3 ASN 14 2HB ASN 14 5.698 -2.629 -0.982
101 HD21 ASN 14 2HD2 ASN 14 3.395 -3.599 -3.403
102 HD22 ASN 14 1HD2 ASN 14 4.504 -3.622 -4.719
103 H CYS 15 H CYS 15 3.504 -4.823 1.314
104 HA CYS 15 HA CYS 15 5.746 -5.366 3.104
105 HB2 CYS 15 1HB CYS 15 4.929 -3.764 4.835
106 HB3 CYS 15 2HB CYS 15 5.530 -2.943 3.381
107 H GLY 16 H GLY 16 2.729 -6.253 2.075
108 HA2 GLY 16 1HA GLY 16 1.246 -7.787 2.883
109 HA3 GLY 16 2HA GLY 16 2.368 -8.039 4.216
110 H ARG 17 H ARG 17 0.748 -5.122 3.258
111 HA ARG 17 HA ARG 17 -0.531 -5.127 5.888
112 HB2 ARG 17 1HB ARG 17 1.225 -3.624 6.118
113 HB3 ARG 17 2HB ARG 17 0.962 -2.841 4.587
114 HG2 ARG 17 1HG ARG 17 -1.195 -1.968 5.521
115 HG3 ARG 17 2HG ARG 17 -0.755 -2.696 7.060
116 HD2 ARG 17 1HD ARG 17 1.182 -1.315 7.227
117 HD3 ARG 17 2HD ARG 17 0.939 -0.693 5.597
118 HE ARG 17 HE ARG 17 -1.339 -0.022 6.780
119 HH11 ARG 17 1HH1 ARG 17 2.017 0.434 7.864
120 HH12 ARG 17 2HH1 ARG 17 1.719 1.902 8.655
121 HH21 ARG 17 1HH2 ARG 17 -1.749 2.037 7.864
122 HH22 ARG 17 2HH2 ARG 17 -0.456 2.824 8.649
123 H ASP 18 H ASP 18 -2.615 -4.520 6.028
124 HA ASP 18 HA ASP 18 -4.252 -4.471 3.705
125 HB2 ASP 18 1HB ASP 18 -4.859 -5.516 5.897
126 HB3 ASP 18 2HB ASP 18 -4.766 -3.834 6.517
127 H VAL 19 H VAL 19 -4.294 -2.723 2.637
128 HA VAL 19 HA VAL 19 -4.674 -0.082 3.944
129 HB VAL 19 HB VAL 19 -2.809 -0.562 1.601
130 HG11 VAL 19 1HG1 VAL 19 -2.091 1.773 1.972
131 HG12 VAL 19 2HG1 VAL 19 -3.344 1.938 3.202
132 HG13 VAL 19 3HG1 VAL 19 -3.793 1.651 1.522
133 HG21 VAL 19 3HG2 VAL 19 -2.149 0.061 4.464
134 HG22 VAL 19 1HG2 VAL 19 -0.966 -0.151 3.157
135 HG23 VAL 19 2HG2 VAL 19 -2.017 -1.495 3.718
136 H SER 20 H SER 20 -6.132 1.268 2.905
137 HA SER 20 HA SER 20 -8.073 0.487 1.154
138 HB2 SER 20 1HB SER 20 -6.803 3.205 1.398
139 HB3 SER 20 2HB SER 20 -8.451 2.868 0.854
140 HG SER 20 HG SER 20 -8.131 3.482 3.137
141 H ALA 21 H ALA 21 -8.140 -0.009 -0.921
142 HA ALA 21 HA ALA 21 -5.941 -0.295 -2.595
143 HB1 ALA 21 3HB ALA 21 -8.061 -1.475 -2.909
144 HB2 ALA 21 1HB ALA 21 -7.575 -0.652 -4.391
145 HB3 ALA 21 2HB ALA 21 -8.842 0.030 -3.363
146 H ASN 22 H ASN 22 -8.058 2.352 -2.140
147 HA ASN 22 HA ASN 22 -7.173 3.880 -4.420
148 HB2 ASN 22 1HB ASN 22 -9.410 4.236 -3.581
149 HB3 ASN 22 2HB ASN 22 -8.792 4.669 -1.995
150 HD21 ASN 22 2HD2 ASN 22 -9.093 5.713 -5.307
151 HD22 ASN 22 1HD2 ASN 22 -8.820 7.379 -5.000
152 H ARG 23 H ARG 23 -5.994 3.430 -1.236
153 HA ARG 23 HA ARG 23 -4.523 5.965 -1.153
154 HB2 ARG 23 1HB ARG 23 -5.870 5.026 0.772
155 HB3 ARG 23 2HB ARG 23 -4.692 3.728 0.863
156 HG2 ARG 23 1HG ARG 23 -4.179 5.305 2.548
157 HG3 ARG 23 2HG ARG 23 -2.958 5.481 1.279
158 HD2 ARG 23 1HD ARG 23 -4.026 7.428 0.418
159 HD3 ARG 23 2HD ARG 23 -5.439 7.141 1.435
160 HE ARG 23 HE ARG 23 -2.846 7.705 2.676
161 HH11 ARG 23 1HH1 ARG 23 -6.124 8.780 1.905
162 HH12 ARG 23 2HH1 ARG 23 -6.218 9.900 3.170
163 HH21 ARG 23 1HH2 ARG 23 -2.948 9.299 4.418
164 HH22 ARG 23 2HH2 ARG 23 -4.369 10.204 4.627
165 H LEU 24 H LEU 24 -4.235 2.827 -2.218
166 HA LEU 24 HA LEU 24 -1.825 1.908 -1.200
167 HB2 LEU 24 1HB LEU 24 -3.753 0.756 -2.575
168 HB3 LEU 24 2HB LEU 24 -2.722 1.117 -3.935
169 HG LEU 24 HG LEU 24 -2.485 -1.180 -3.184
170 HD11 LEU 24 1HD1 LEU 24 -0.533 -0.355 -4.255
171 HD12 LEU 24 2HD1 LEU 24 0.039 -1.270 -2.846
172 HD13 LEU 24 3HD1 LEU 24 -0.027 0.476 -2.799
173 HD21 LEU 24 3HD2 LEU 24 -1.446 -1.750 -1.040
174 HD22 LEU 24 1HD2 LEU 24 -2.988 -0.925 -0.832
175 HD23 LEU 24 2HD2 LEU 24 -1.471 -0.054 -0.578
176 H ALA 25 H ALA 25 -2.466 3.801 -4.100
177 HA ALA 25 HA ALA 25 0.036 3.804 -5.294
178 HB1 ALA 25 3HB ALA 25 -1.873 6.139 -5.108
179 HB2 ALA 25 1HB ALA 25 -1.931 4.853 -6.312
180 HB3 ALA 25 2HB ALA 25 -0.573 5.979 -6.282
181 H ALA 26 H ALA 26 -1.119 6.258 -2.956
182 HA ALA 26 HA ALA 26 1.379 7.585 -2.714
183 HB1 ALA 26 3HB ALA 26 -0.972 7.524 -0.821
184 HB2 ALA 26 1HB ALA 26 -0.726 8.676 -2.135
185 HB3 ALA 26 2HB ALA 26 0.369 8.670 -0.752
186 H HIS 27 H HIS 27 -0.264 5.092 -0.929
187 HA HIS 27 HA HIS 27 1.530 4.765 1.165
188 HB2 HIS 27 1HB HIS 27 -0.614 3.583 1.271
189 HB3 HIS 27 2HB HIS 27 -0.227 2.731 -0.205
190 HD1 HIS 27 HD1 HIS 27 1.059 2.862 3.381
191 HD2 HIS 27 HD2 HIS 27 1.061 0.429 0.042
192 HE1 HIS 27 HE1 HIS 27 2.360 0.842 4.049
193 H LEU 28 H LEU 28 1.492 3.328 -2.067
194 HA LEU 28 HA LEU 28 3.705 1.712 -1.551
195 HB2 LEU 28 1HB LEU 28 1.856 1.953 -3.619
196 HB3 LEU 28 2HB LEU 28 3.412 2.350 -4.332
197 HG LEU 28 HG LEU 28 2.763 -0.067 -4.529
198 HD11 LEU 28 1HD1 LEU 28 5.285 0.541 -3.001
199 HD12 LEU 28 2HD1 LEU 28 5.088 0.650 -4.748
200 HD13 LEU 28 3HD1 LEU 28 4.983 -0.918 -3.942
201 HD21 LEU 28 3HD2 LEU 28 3.452 -0.227 -1.602
202 HD22 LEU 28 1HD2 LEU 28 2.815 -1.502 -2.624
203 HD23 LEU 28 2HD2 LEU 28 1.799 -0.121 -2.149
204 H GLN 29 H GLN 29 3.350 4.966 -2.710
205 HA GLN 29 HA GLN 29 6.044 5.211 -3.515
206 HB2 GLN 29 1HB GLN 29 4.223 7.358 -2.407
207 HB3 GLN 29 2HB GLN 29 5.786 7.667 -3.152
208 HG2 GLN 29 1HG GLN 29 3.304 6.597 -4.454
209 HG3 GLN 29 2HG GLN 29 4.140 8.109 -4.789
210 HE21 GLN 29 2HE2 GLN 29 4.071 4.714 -5.310
211 HE22 GLN 29 1HE2 GLN 29 5.304 4.642 -6.503
212 H ARG 30 H ARG 30 4.478 5.586 -0.421
213 HA ARG 30 HA ARG 30 6.830 6.373 1.008
214 HB2 ARG 30 1HB ARG 30 4.464 6.794 1.716
215 HB3 ARG 30 2HB ARG 30 4.287 5.076 2.011
216 HG2 ARG 30 1HG ARG 30 4.627 6.285 4.076
217 HG3 ARG 30 2HG ARG 30 5.979 5.205 3.762
218 HD2 ARG 30 1HD ARG 30 6.648 7.445 4.601
219 HD3 ARG 30 2HD ARG 30 7.356 7.016 3.050
220 HE ARG 30 HE ARG 30 5.618 8.458 2.033
221 HH11 ARG 30 1HH1 ARG 30 6.348 9.042 5.454
222 HH12 ARG 30 2HH1 ARG 30 6.176 10.728 5.344
223 HH21 ARG 30 1HH2 ARG 30 5.371 10.791 1.900
224 HH22 ARG 30 2HH2 ARG 30 5.581 11.724 3.299
225 H CYS 31 H CYS 31 5.134 3.378 0.426
226 HA CYS 31 HA CYS 31 6.620 1.669 2.027
227 HB2 CYS 31 1HB CYS 31 4.304 1.334 1.016
228 HB3 CYS 31 2HB CYS 31 5.129 0.947 -0.478
229 H LEU 32 H LEU 32 7.198 2.932 -1.180
230 HA LEU 32 HA LEU 32 9.156 0.884 -1.854
231 HB2 LEU 32 1HB LEU 32 7.330 2.100 -3.399
232 HB3 LEU 32 2HB LEU 32 8.610 3.269 -3.573
233 HG LEU 32 HG LEU 32 8.520 1.719 -5.459
234 HD11 LEU 32 1HD1 LEU 32 10.665 2.674 -4.938
235 HD12 LEU 32 2HD1 LEU 32 10.852 1.020 -5.538
236 HD13 LEU 32 3HD1 LEU 32 11.002 1.358 -3.813
237 HD21 LEU 32 3HD2 LEU 32 9.169 -0.445 -3.456
238 HD22 LEU 32 1HD2 LEU 32 9.074 -0.640 -5.202
239 HD23 LEU 32 2HD2 LEU 32 7.629 -0.235 -4.271
240 H SER 33 H SER 33 8.994 4.386 -1.203
241 HA SER 33 HA SER 33 11.768 4.823 -1.538
242 HB2 SER 33 1HB SER 33 9.712 6.372 0.048
243 HB3 SER 33 2HB SER 33 11.314 6.972 -0.377
244 HG SER 33 HG SER 33 10.198 6.086 -2.605
245 H ARG 34 H ARG 34 9.786 3.837 1.146
246 HA ARG 34 HA ARG 34 12.159 3.497 2.825
247 HB2 ARG 34 1HB ARG 34 9.228 3.829 3.449
248 HB3 ARG 34 2HB ARG 34 10.332 3.156 4.636
249 HG2 ARG 34 1HG ARG 34 11.600 5.184 4.692
250 HG3 ARG 34 2HG ARG 34 10.671 5.841 3.342
251 HD2 ARG 34 1HD ARG 34 8.713 5.988 4.632
252 HD3 ARG 34 2HD ARG 34 9.395 5.011 5.930
253 HE ARG 34 HE ARG 34 10.550 6.821 6.714
254 HH11 ARG 34 1HH1 ARG 34 9.205 7.796 3.539
255 HH12 ARG 34 2HH1 ARG 34 9.208 9.437 3.931
256 HH21 ARG 34 1HH2 ARG 34 10.546 9.137 7.158
257 HH22 ARG 34 2HH2 ARG 34 9.953 10.206 5.960
258 H GLY 35 H GLY 35 10.993 1.503 4.486
259 HA2 GLY 35 1HA GLY 35 9.670 -0.580 3.477
260 HA3 GLY 35 2HA GLY 35 11.277 -0.774 2.773
261 H ALA 36 H ALA 36 13.076 -0.816 4.170
262 HA ALA 36 HA ALA 36 12.726 -1.158 6.975
263 HB1 ALA 36 3HB ALA 36 13.589 -3.482 5.240
264 HB2 ALA 36 1HB ALA 36 12.114 -3.404 6.210
265 HB3 ALA 36 2HB ALA 36 13.690 -3.432 7.000
266 H ARG 37 H ARG 37 14.899 -1.428 7.932
267 HA ARG 37 HA ARG 37 16.884 -0.255 6.158
268 HB2 ARG 37 1HB ARG 37 16.773 -0.363 9.178
269 HB3 ARG 37 2HB ARG 37 18.157 0.246 8.276
270 HG2 ARG 37 1HG ARG 37 16.783 2.012 7.323
271 HG3 ARG 37 2HG ARG 37 15.373 1.374 8.165
272 HD2 ARG 37 1HD ARG 37 17.872 2.383 9.509
273 HD3 ARG 37 2HD ARG 37 16.400 3.337 9.301
274 HE ARG 37 HE ARG 37 15.396 1.300 10.566
275 HH11 ARG 37 1HH1 ARG 37 18.442 2.943 11.267
276 HH12 ARG 37 2HH1 ARG 37 18.476 2.564 12.908
277 HH21 ARG 37 1HH2 ARG 37 15.379 0.784 12.830
278 HH22 ARG 37 2HH2 ARG 37 16.675 1.266 13.827
279 H ARG 38 H ARG 38 17.193 -2.110 5.118
280 HA ARG 38 HA ARG 38 17.871 -4.624 6.173
281 HB2 ARG 38 1HB ARG 38 17.082 -4.059 3.840
282 HB3 ARG 38 2HB ARG 38 18.690 -3.450 3.507
283 HG2 ARG 38 1HG ARG 38 18.587 -5.605 2.585
284 HG3 ARG 38 2HG ARG 38 19.529 -5.738 4.069
285 HD2 ARG 38 1HD ARG 38 17.677 -6.684 5.254
286 HD3 ARG 38 2HD ARG 38 16.587 -6.319 3.916
287 HE ARG 38 HE ARG 38 18.821 -8.096 3.409
288 HH11 ARG 38 1HH1 ARG 38 15.366 -7.811 4.136
289 HH12 ARG 38 2HH1 ARG 38 14.910 -9.254 3.354
290 HH21 ARG 38 1HH2 ARG 38 18.181 -10.115 2.297
291 HH22 ARG 38 2HH2 ARG 38 16.529 -10.578 2.281
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -18.099 4.506 -0.346
2 H2 GLY 1 2H GLY 1 -18.077 5.869 -1.364
3 H3 GLY 1 3H GLY 1 -18.804 5.966 0.135
4 HA2 GLY 1 1HA GLY 1 -16.696 5.722 1.229
5 HA3 GLY 1 2HA GLY 1 -15.932 5.525 -0.342
6 H LYS 2 H LYS 2 -15.374 7.551 1.581
7 HA LYS 2 HA LYS 2 -16.343 9.936 0.137
8 HB2 LYS 2 1HB LYS 2 -15.569 9.730 3.048
9 HB3 LYS 2 2HB LYS 2 -16.109 11.199 2.251
10 HG2 LYS 2 1HG LYS 2 -17.758 8.713 2.673
11 HG3 LYS 2 2HG LYS 2 -17.778 10.121 3.723
12 HD2 LYS 2 1HD LYS 2 -18.554 11.480 1.795
13 HD3 LYS 2 2HD LYS 2 -18.624 9.999 0.826
14 HE2 LYS 2 1HE LYS 2 -20.217 9.035 2.394
15 HE3 LYS 2 2HE LYS 2 -20.136 10.476 3.394
16 HZ1 LYS 2 3HZ LYS 2 -21.200 10.338 0.618
17 HZ2 LYS 2 1HZ LYS 2 -21.081 11.740 1.548
18 HZ3 LYS 2 2HZ LYS 2 -22.099 10.509 2.015
19 H GLN 3 H GLN 3 -13.887 9.769 2.649
20 HA GLN 3 HA GLN 3 -11.726 9.865 0.726
21 HB2 GLN 3 1HB GLN 3 -12.341 12.207 1.029
22 HB3 GLN 3 2HB GLN 3 -12.264 12.025 2.771
23 HG2 GLN 3 1HG GLN 3 -9.891 11.712 2.689
24 HG3 GLN 3 2HG GLN 3 -9.912 11.701 0.925
25 HE21 GLN 3 2HE2 GLN 3 -8.553 13.474 2.839
26 HE22 GLN 3 1HE2 GLN 3 -9.075 15.065 2.409
27 H GLN 4 H GLN 4 -12.249 10.491 4.206
28 HA GLN 4 HA GLN 4 -10.106 8.763 4.936
29 HB2 GLN 4 1HB GLN 4 -12.316 9.975 6.636
30 HB3 GLN 4 2HB GLN 4 -10.956 9.081 7.282
31 HG2 GLN 4 1HG GLN 4 -10.444 11.356 7.605
32 HG3 GLN 4 2HG GLN 4 -9.465 10.833 6.244
33 HE21 GLN 4 2HE2 GLN 4 -9.218 12.871 5.441
34 HE22 GLN 4 1HE2 GLN 4 -10.484 13.799 4.736
35 H GLU 5 H GLU 5 -13.483 8.500 4.458
36 HA GLU 5 HA GLU 5 -13.612 5.735 5.335
37 HB2 GLU 5 1HB GLU 5 -15.613 7.514 3.955
38 HB3 GLU 5 2HB GLU 5 -15.911 5.831 4.363
39 HG2 GLU 5 1HG GLU 5 -15.740 6.309 6.685
40 HG3 GLU 5 2HG GLU 5 -15.226 7.959 6.336
41 H SER 6 H SER 6 -12.128 4.764 3.982
42 HA SER 6 HA SER 6 -12.726 4.818 1.129
43 HB2 SER 6 1HB SER 6 -10.440 3.458 2.575
44 HB3 SER 6 2HB SER 6 -10.568 3.788 0.848
45 HG SER 6 HG SER 6 -10.521 6.000 1.317
46 H SER 7 H SER 7 -12.173 2.571 3.802
47 HA SER 7 HA SER 7 -13.044 0.650 4.463
48 HB2 SER 7 1HB SER 7 -15.160 1.009 2.335
49 HB3 SER 7 2HB SER 7 -15.249 -0.069 3.730
50 HG SER 7 HG SER 7 -14.739 2.097 4.864
51 H GLN 8 H GLN 8 -12.485 0.895 1.023
52 HA GLN 8 HA GLN 8 -12.181 -1.958 0.722
53 HB2 GLN 8 1HB GLN 8 -12.895 -0.390 -1.178
54 HB3 GLN 8 2HB GLN 8 -11.212 0.174 -1.079
55 HG2 GLN 8 1HG GLN 8 -10.336 -1.930 -1.708
56 HG3 GLN 8 2HG GLN 8 -11.918 -2.692 -1.612
57 HE21 GLN 8 2HE2 GLN 8 -11.435 0.453 -3.058
58 HE22 GLN 8 1HE2 GLN 8 -11.733 -0.050 -4.675
59 H TYR 9 H TYR 9 -10.542 -2.608 2.037
60 HA TYR 9 HA TYR 9 -7.959 -1.355 1.543
61 HB2 TYR 9 1HB TYR 9 -8.660 -3.335 3.772
62 HB3 TYR 9 2HB TYR 9 -7.137 -2.565 3.488
63 HD1 TYR 9 HD2 TYR 9 -10.595 -1.896 4.600
64 HD2 TYR 9 HD1 TYR 9 -6.643 -0.393 4.225
65 HE1 TYR 9 HE2 TYR 9 -11.168 -0.024 6.094
66 HE2 TYR 9 HE1 TYR 9 -7.196 1.468 5.719
67 HH TYR 9 HH TYR 9 -9.885 1.540 7.649
68 H ILE 10 H ILE 10 -6.348 -2.521 0.648
69 HA ILE 10 HA ILE 10 -7.034 -5.188 -0.176
70 HB ILE 10 HB ILE 10 -7.068 -3.518 -2.048
71 HG12 ILE 10 1HG1 ILE 10 -5.620 -4.771 -3.594
72 HG13 ILE 10 2HG1 ILE 10 -4.836 -5.540 -2.211
73 HG21 ILE 10 1HG2 ILE 10 -5.416 -1.944 -1.268
74 HG22 ILE 10 2HG2 ILE 10 -4.975 -2.537 -2.868
75 HG23 ILE 10 3HG2 ILE 10 -4.145 -3.152 -1.437
76 HD11 ILE 10 3HD1 ILE 10 -7.753 -5.711 -2.818
77 HD12 ILE 10 1HD1 ILE 10 -6.874 -6.555 -1.557
78 HD13 ILE 10 2HD1 ILE 10 -6.566 -6.961 -3.259
79 H HIS 11 H HIS 11 -5.279 -6.624 -0.125
80 HA HIS 11 HA HIS 11 -3.388 -6.028 1.921
81 HB2 HIS 11 1HB HIS 11 -4.418 -8.288 1.620
82 HB3 HIS 11 2HB HIS 11 -3.537 -8.455 0.114
83 HD1 HIS 11 HD1 HIS 11 -3.013 -8.345 3.840
84 HD2 HIS 11 HD2 HIS 11 -0.881 -9.298 0.404
85 HE1 HIS 11 HE1 HIS 11 -0.928 -9.475 4.635
86 HE2 HIS 11 HE2 HIS 11 0.150 -10.318 2.550
87 H CYS 12 H CYS 12 -1.668 -4.866 1.561
88 HA CYS 12 HA CYS 12 -0.545 -4.385 -0.980
89 HB2 CYS 12 1HB CYS 12 -0.416 -2.774 0.941
90 HB3 CYS 12 2HB CYS 12 0.545 -3.977 1.808
91 H GLU 13 H GLU 13 1.078 -5.438 -1.835
92 HA GLU 13 HA GLU 13 1.918 -7.932 -0.536
93 HB2 GLU 13 1HB GLU 13 2.698 -8.629 -2.791
94 HB3 GLU 13 2HB GLU 13 0.986 -8.255 -2.773
95 HG2 GLU 13 1HG GLU 13 3.144 -6.403 -3.782
96 HG3 GLU 13 2HG GLU 13 2.178 -7.468 -4.799
97 H ASN 14 H ASN 14 2.747 -4.905 -0.991
98 HA ASN 14 HA ASN 14 5.562 -5.254 -1.409
99 HB2 ASN 14 1HB ASN 14 3.739 -2.878 -1.283
100 HB3 ASN 14 2HB ASN 14 5.479 -2.633 -1.012
101 HD21 ASN 14 2HD2 ASN 14 2.975 -3.693 -3.325
102 HD22 ASN 14 1HD2 ASN 14 4.005 -3.503 -4.678
103 H CYS 15 H CYS 15 3.492 -4.317 1.302
104 HA CYS 15 HA CYS 15 5.770 -5.099 2.992
105 HB2 CYS 15 1HB CYS 15 4.956 -3.579 4.757
106 HB3 CYS 15 2HB CYS 15 5.424 -2.708 3.299
107 H GLY 16 H GLY 16 2.866 -6.130 1.958
108 HA2 GLY 16 1HA GLY 16 1.466 -7.795 2.691
109 HA3 GLY 16 2HA GLY 16 2.603 -8.045 4.009
110 H ARG 17 H ARG 17 0.810 -5.124 3.272
111 HA ARG 17 HA ARG 17 -0.540 -5.466 5.832
112 HB2 ARG 17 1HB ARG 17 1.214 -3.971 6.336
113 HB3 ARG 17 2HB ARG 17 0.972 -3.030 4.887
114 HG2 ARG 17 1HG ARG 17 -0.898 -1.946 5.792
115 HG3 ARG 17 2HG ARG 17 -1.067 -3.142 7.080
116 HD2 ARG 17 1HD ARG 17 -0.069 -0.893 7.760
117 HD3 ARG 17 2HD ARG 17 0.826 -2.330 8.231
118 HE ARG 17 HE ARG 17 2.259 -1.864 6.254
119 HH11 ARG 17 1HH1 ARG 17 0.525 0.848 7.754
120 HH12 ARG 17 2HH1 ARG 17 1.746 1.983 7.422
121 HH21 ARG 17 1HH2 ARG 17 3.918 -0.337 5.851
122 HH22 ARG 17 2HH2 ARG 17 3.749 1.298 6.292
123 H ASP 18 H ASP 18 -2.552 -4.317 6.138
124 HA ASP 18 HA ASP 18 -4.257 -4.517 3.810
125 HB2 ASP 18 1HB ASP 18 -4.719 -5.455 6.157
126 HB3 ASP 18 2HB ASP 18 -4.849 -3.724 6.573
127 H VAL 19 H VAL 19 -4.096 -2.732 2.651
128 HA VAL 19 HA VAL 19 -4.474 -0.101 3.967
129 HB VAL 19 HB VAL 19 -2.557 -0.668 1.680
130 HG11 VAL 19 1HG1 VAL 19 -2.990 1.880 3.244
131 HG12 VAL 19 2HG1 VAL 19 -3.504 1.597 1.585
132 HG13 VAL 19 3HG1 VAL 19 -1.784 1.629 1.983
133 HG21 VAL 19 3HG2 VAL 19 -1.962 0.024 4.545
134 HG22 VAL 19 1HG2 VAL 19 -0.771 -0.357 3.290
135 HG23 VAL 19 2HG2 VAL 19 -1.932 -1.586 3.890
136 H SER 20 H SER 20 -5.642 1.468 2.777
137 HA SER 20 HA SER 20 -7.822 0.541 1.221
138 HB2 SER 20 1HB SER 20 -6.686 3.320 1.496
139 HB3 SER 20 2HB SER 20 -8.308 2.897 0.945
140 HG SER 20 HG SER 20 -7.174 2.687 3.510
141 H ALA 21 H ALA 21 -8.075 0.169 -0.772
142 HA ALA 21 HA ALA 21 -6.000 0.057 -2.665
143 HB1 ALA 21 3HB ALA 21 -8.964 0.178 -3.165
144 HB2 ALA 21 1HB ALA 21 -8.055 -1.290 -2.793
145 HB3 ALA 21 2HB ALA 21 -7.747 -0.406 -4.297
146 H ASN 22 H ASN 22 -8.129 2.532 -1.763
147 HA ASN 22 HA ASN 22 -7.807 4.219 -4.098
148 HB2 ASN 22 1HB ASN 22 -9.751 4.322 -2.525
149 HB3 ASN 22 2HB ASN 22 -8.683 5.057 -1.333
150 HD21 ASN 22 2HD2 ASN 22 -9.720 7.014 -1.237
151 HD22 ASN 22 1HD2 ASN 22 -9.797 8.125 -2.546
152 H ARG 23 H ARG 23 -5.870 3.543 -1.364
153 HA ARG 23 HA ARG 23 -4.408 6.106 -1.601
154 HB2 ARG 23 1HB ARG 23 -4.618 4.214 0.721
155 HB3 ARG 23 2HB ARG 23 -3.739 5.714 0.765
156 HG2 ARG 23 1HG ARG 23 -5.879 6.911 0.413
157 HG3 ARG 23 2HG ARG 23 -6.712 5.359 0.457
158 HD2 ARG 23 1HD ARG 23 -5.482 5.063 2.726
159 HD3 ARG 23 2HD ARG 23 -5.305 6.818 2.654
160 HE ARG 23 HE ARG 23 -7.941 6.190 2.090
161 HH11 ARG 23 1HH1 ARG 23 -5.777 6.349 4.859
162 HH12 ARG 23 2HH1 ARG 23 -7.016 6.178 6.014
163 HH21 ARG 23 1HH2 ARG 23 -9.596 5.907 3.622
164 HH22 ARG 23 2HH2 ARG 23 -9.288 5.921 5.299
165 H LEU 24 H LEU 24 -4.276 2.966 -2.482
166 HA LEU 24 HA LEU 24 -1.935 1.946 -1.357
167 HB2 LEU 24 1HB LEU 24 -3.861 0.801 -2.723
168 HB3 LEU 24 2HB LEU 24 -2.814 1.102 -4.086
169 HG LEU 24 HG LEU 24 -2.644 -1.187 -3.251
170 HD11 LEU 24 1HD1 LEU 24 -0.145 0.428 -2.969
171 HD12 LEU 24 2HD1 LEU 24 -0.677 -0.496 -4.377
172 HD13 LEU 24 3HD1 LEU 24 -0.129 -1.322 -2.920
173 HD21 LEU 24 3HD2 LEU 24 -1.563 0.015 -0.707
174 HD22 LEU 24 1HD2 LEU 24 -1.592 -1.700 -1.104
175 HD23 LEU 24 2HD2 LEU 24 -3.102 -0.816 -0.902
176 H ALA 25 H ALA 25 -2.382 3.756 -4.314
177 HA ALA 25 HA ALA 25 0.209 3.513 -5.348
178 HB1 ALA 25 3HB ALA 25 -1.662 4.443 -6.632
179 HB2 ALA 25 1HB ALA 25 -0.252 5.499 -6.679
180 HB3 ALA 25 2HB ALA 25 -1.617 5.893 -5.633
181 H ALA 26 H ALA 26 -1.030 6.219 -3.318
182 HA ALA 26 HA ALA 26 1.504 7.481 -3.057
183 HB1 ALA 26 3HB ALA 26 -0.609 8.690 -2.700
184 HB2 ALA 26 1HB ALA 26 0.438 8.813 -1.288
185 HB3 ALA 26 2HB ALA 26 -0.937 7.703 -1.278
186 H HIS 27 H HIS 27 -0.300 5.179 -1.168
187 HA HIS 27 HA HIS 27 1.340 4.863 1.029
188 HB2 HIS 27 1HB HIS 27 -0.784 3.635 0.971
189 HB3 HIS 27 2HB HIS 27 -0.285 2.814 -0.486
190 HD1 HIS 27 HD1 HIS 27 0.652 2.876 3.198
191 HD2 HIS 27 HD2 HIS 27 1.056 0.536 -0.184
192 HE1 HIS 27 HE1 HIS 27 1.876 0.817 3.962
193 H LEU 28 H LEU 28 1.478 3.267 -2.143
194 HA LEU 28 HA LEU 28 3.701 1.712 -1.546
195 HB2 LEU 28 1HB LEU 28 1.987 2.040 -3.765
196 HB3 LEU 28 2HB LEU 28 3.639 2.354 -4.299
197 HG LEU 28 HG LEU 28 2.879 -0.016 -4.612
198 HD11 LEU 28 1HD1 LEU 28 5.286 0.475 -2.860
199 HD12 LEU 28 2HD1 LEU 28 5.232 0.609 -4.619
200 HD13 LEU 28 3HD1 LEU 28 5.002 -0.961 -3.843
201 HD21 LEU 28 3HD2 LEU 28 1.680 -0.102 -2.392
202 HD22 LEU 28 1HD2 LEU 28 3.236 -0.210 -1.609
203 HD23 LEU 28 2HD2 LEU 28 2.710 -1.489 -2.707
204 H GLN 29 H GLN 29 3.371 4.940 -2.799
205 HA GLN 29 HA GLN 29 6.042 5.316 -3.566
206 HB2 GLN 29 1HB GLN 29 4.182 7.364 -2.332
207 HB3 GLN 29 2HB GLN 29 5.671 7.740 -3.170
208 HG2 GLN 29 1HG GLN 29 3.138 6.612 -4.334
209 HG3 GLN 29 2HG GLN 29 3.879 8.179 -4.659
210 HE21 GLN 29 2HE2 GLN 29 3.842 4.833 -5.399
211 HE22 GLN 29 1HE2 GLN 29 4.982 4.878 -6.688
212 H ARG 30 H ARG 30 4.464 5.733 -0.419
213 HA ARG 30 HA ARG 30 6.923 6.394 0.923
214 HB2 ARG 30 1HB ARG 30 4.841 7.222 1.816
215 HB3 ARG 30 2HB ARG 30 4.194 5.596 1.948
216 HG2 ARG 30 1HG ARG 30 5.684 5.075 3.742
217 HG3 ARG 30 2HG ARG 30 6.573 6.583 3.497
218 HD2 ARG 30 1HD ARG 30 5.030 6.680 5.410
219 HD3 ARG 30 2HD ARG 30 4.674 7.873 4.159
220 HE ARG 30 HE ARG 30 3.168 5.348 4.263
221 HH11 ARG 30 1HH1 ARG 30 3.211 8.880 4.539
222 HH12 ARG 30 2HH1 ARG 30 1.519 9.042 4.514
223 HH21 ARG 30 1HH2 ARG 30 0.836 5.589 4.235
224 HH22 ARG 30 2HH2 ARG 30 0.148 7.139 4.305
225 H CYS 31 H CYS 31 4.943 3.534 0.632
226 HA CYS 31 HA CYS 31 6.174 1.761 2.272
227 HB2 CYS 31 1HB CYS 31 4.051 1.406 0.925
228 HB3 CYS 31 2HB CYS 31 5.098 1.118 -0.456
229 H LEU 32 H LEU 32 6.970 2.514 -1.126
230 HA LEU 32 HA LEU 32 9.106 0.603 -1.177
231 HB2 LEU 32 1HB LEU 32 7.431 1.497 -3.097
232 HB3 LEU 32 2HB LEU 32 8.727 2.629 -3.325
233 HG LEU 32 HG LEU 32 8.924 0.803 -4.908
234 HD11 LEU 32 1HD1 LEU 32 11.022 1.760 -4.190
235 HD12 LEU 32 2HD1 LEU 32 11.203 0.033 -4.496
236 HD13 LEU 32 3HD1 LEU 32 11.096 0.627 -2.841
237 HD21 LEU 32 3HD2 LEU 32 7.768 -0.927 -3.655
238 HD22 LEU 32 1HD2 LEU 32 9.112 -1.035 -2.523
239 HD23 LEU 32 2HD2 LEU 32 9.336 -1.499 -4.207
240 H SER 33 H SER 33 8.841 4.214 -1.188
241 HA SER 33 HA SER 33 11.608 4.679 -1.418
242 HB2 SER 33 1HB SER 33 9.514 6.420 -0.095
243 HB3 SER 33 2HB SER 33 11.136 6.945 -0.528
244 HG SER 33 HG SER 33 8.944 6.320 -2.151
245 H ARG 34 H ARG 34 9.662 3.875 1.351
246 HA ARG 34 HA ARG 34 12.017 4.147 3.074
247 HB2 ARG 34 1HB ARG 34 9.110 3.796 3.824
248 HB3 ARG 34 2HB ARG 34 10.440 4.017 4.956
249 HG2 ARG 34 1HG ARG 34 10.881 6.216 3.962
250 HG3 ARG 34 2HG ARG 34 9.494 5.996 2.902
251 HD2 ARG 34 1HD ARG 34 8.042 5.799 4.851
252 HD3 ARG 34 2HD ARG 34 9.440 6.061 5.904
253 HE ARG 34 HE ARG 34 9.241 8.147 4.050
254 HH11 ARG 34 1HH1 ARG 34 7.643 6.953 6.956
255 HH12 ARG 34 2HH1 ARG 34 7.036 8.467 7.438
256 HH21 ARG 34 1HH2 ARG 34 8.405 10.254 4.711
257 HH22 ARG 34 2HH2 ARG 34 7.472 10.383 6.123
258 H GLY 35 H GLY 35 11.139 2.017 1.073
259 HA2 GLY 35 1HA GLY 35 11.492 -0.263 2.885
260 HA3 GLY 35 2HA GLY 35 10.503 -0.326 1.423
261 H ALA 36 H ALA 36 13.371 1.516 1.542
262 HA ALA 36 HA ALA 36 14.523 0.062 -0.620
263 HB1 ALA 36 3HB ALA 36 15.704 2.290 1.050
264 HB2 ALA 36 1HB ALA 36 14.802 2.498 -0.452
265 HB3 ALA 36 2HB ALA 36 16.367 1.684 -0.468
266 H ARG 37 H ARG 37 15.072 -1.922 -0.059
267 HA ARG 37 HA ARG 37 16.733 -2.349 2.321
268 HB2 ARG 37 1HB ARG 37 14.973 -4.261 0.782
269 HB3 ARG 37 2HB ARG 37 15.931 -4.672 2.198
270 HG2 ARG 37 1HG ARG 37 14.607 -3.193 3.569
271 HG3 ARG 37 2HG ARG 37 13.708 -2.650 2.155
272 HD2 ARG 37 1HD ARG 37 12.859 -4.902 1.819
273 HD3 ARG 37 2HD ARG 37 13.788 -5.468 3.209
274 HE ARG 37 HE ARG 37 12.397 -3.651 4.400
275 HH11 ARG 37 1HH1 ARG 37 11.235 -5.834 1.864
276 HH12 ARG 37 2HH1 ARG 37 9.650 -5.933 2.508
277 HH21 ARG 37 1HH2 ARG 37 10.202 -3.807 5.246
278 HH22 ARG 37 2HH2 ARG 37 9.053 -4.777 4.435
279 H ARG 38 H ARG 38 18.480 -3.858 2.064
280 HA ARG 38 HA ARG 38 19.365 -4.062 -0.726
281 HB2 ARG 38 1HB ARG 38 21.257 -3.964 1.630
282 HB3 ARG 38 2HB ARG 38 21.649 -3.811 -0.065
283 HG2 ARG 38 1HG ARG 38 21.885 -1.648 0.654
284 HG3 ARG 38 2HG ARG 38 20.204 -1.626 0.102
285 HD2 ARG 38 1HD ARG 38 20.449 -0.507 2.259
286 HD3 ARG 38 2HD ARG 38 19.475 -1.969 2.427
287 HE ARG 38 HE ARG 38 21.498 -3.077 3.270
288 HH11 ARG 38 1HH1 ARG 38 21.258 0.447 3.595
289 HH12 ARG 38 2HH1 ARG 38 22.476 0.570 4.772
290 HH21 ARG 38 1HH2 ARG 38 23.167 -2.906 4.916
291 HH22 ARG 38 2HH2 ARG 38 23.596 -1.388 5.526
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -15.824 -8.652 1.736
2 H2 GLY 1 2H GLY 1 -16.178 -9.655 0.416
3 H3 GLY 1 3H GLY 1 -14.858 -9.982 1.407
4 HA2 GLY 1 1HA GLY 1 -16.707 -11.462 1.905
5 HA3 GLY 1 2HA GLY 1 -16.250 -10.443 3.266
6 H LYS 2 H LYS 2 -18.821 -11.582 1.540
7 HA LYS 2 HA LYS 2 -20.494 -9.340 1.324
8 HB2 LYS 2 1HB LYS 2 -20.945 -11.438 0.135
9 HB3 LYS 2 2HB LYS 2 -21.233 -12.262 1.656
10 HG2 LYS 2 1HG LYS 2 -23.188 -10.851 2.058
11 HG3 LYS 2 2HG LYS 2 -22.894 -10.009 0.539
12 HD2 LYS 2 1HD LYS 2 -23.458 -12.964 0.784
13 HD3 LYS 2 2HD LYS 2 -24.669 -11.746 0.397
14 HE2 LYS 2 1HE LYS 2 -23.326 -11.137 -1.620
15 HE3 LYS 2 2HE LYS 2 -22.230 -12.455 -1.231
16 HZ1 LYS 2 3HZ LYS 2 -25.121 -12.832 -1.708
17 HZ2 LYS 2 1HZ LYS 2 -23.966 -14.035 -1.561
18 HZ3 LYS 2 2HZ LYS 2 -23.955 -13.034 -2.908
19 H GLN 3 H GLN 3 -19.932 -11.588 3.955
20 HA GLN 3 HA GLN 3 -21.897 -10.299 5.644
21 HB2 GLN 3 1HB GLN 3 -20.005 -12.594 6.088
22 HB3 GLN 3 2HB GLN 3 -21.021 -11.948 7.367
23 HG2 GLN 3 1HG GLN 3 -22.040 -13.059 4.756
24 HG3 GLN 3 2HG GLN 3 -21.962 -13.959 6.268
25 HE21 GLN 3 2HE2 GLN 3 -22.760 -11.715 7.944
26 HE22 GLN 3 1HE2 GLN 3 -24.424 -11.430 7.611
27 H GLN 4 H GLN 4 -19.273 -9.005 4.669
28 HA GLN 4 HA GLN 4 -18.413 -8.083 7.310
29 HB2 GLN 4 1HB GLN 4 -16.754 -8.457 4.821
30 HB3 GLN 4 2HB GLN 4 -16.206 -7.558 6.229
31 HG2 GLN 4 1HG GLN 4 -16.386 -9.586 7.579
32 HG3 GLN 4 2HG GLN 4 -16.937 -10.472 6.158
33 HE21 GLN 4 2HE2 GLN 4 -15.208 -11.869 6.273
34 HE22 GLN 4 1HE2 GLN 4 -13.591 -11.422 5.873
35 H GLU 5 H GLU 5 -17.235 -5.915 6.997
36 HA GLU 5 HA GLU 5 -19.067 -4.002 5.968
37 HB2 GLU 5 1HB GLU 5 -16.255 -3.777 7.043
38 HB3 GLU 5 2HB GLU 5 -17.192 -2.388 6.545
39 HG2 GLU 5 1HG GLU 5 -17.194 -2.661 8.958
40 HG3 GLU 5 2HG GLU 5 -18.815 -2.848 8.297
41 H SER 6 H SER 6 -18.576 -2.427 4.327
42 HA SER 6 HA SER 6 -17.586 -3.424 1.929
43 HB2 SER 6 1HB SER 6 -17.663 -0.981 1.233
44 HB3 SER 6 2HB SER 6 -19.162 -1.612 1.914
45 HG SER 6 HG SER 6 -17.194 -0.026 3.191
46 H SER 7 H SER 7 -15.555 -4.081 1.736
47 HA SER 7 HA SER 7 -13.469 -2.719 3.196
48 HB2 SER 7 1HB SER 7 -13.349 -5.252 1.561
49 HB3 SER 7 2HB SER 7 -12.151 -4.680 2.727
50 HG SER 7 HG SER 7 -14.744 -4.879 3.675
51 H GLN 8 H GLN 8 -12.607 -1.010 2.187
52 HA GLN 8 HA GLN 8 -11.998 -1.230 -0.666
53 HB2 GLN 8 1HB GLN 8 -11.909 1.130 1.209
54 HB3 GLN 8 2HB GLN 8 -11.302 1.187 -0.433
55 HG2 GLN 8 1HG GLN 8 -13.602 0.553 -1.203
56 HG3 GLN 8 2HG GLN 8 -14.152 0.731 0.467
57 HE21 GLN 8 2HE2 GLN 8 -14.212 2.815 1.365
58 HE22 GLN 8 1HE2 GLN 8 -14.149 4.223 0.371
59 H TYR 9 H TYR 9 -10.700 -2.099 2.098
60 HA TYR 9 HA TYR 9 -7.972 -1.285 1.505
61 HB2 TYR 9 1HB TYR 9 -8.891 -3.082 3.802
62 HB3 TYR 9 2HB TYR 9 -7.347 -2.361 3.541
63 HD1 TYR 9 HD1 TYR 9 -10.843 -1.476 4.384
64 HD2 TYR 9 HD2 TYR 9 -6.794 -0.199 4.224
65 HE1 TYR 9 HE1 TYR 9 -11.423 0.532 5.686
66 HE2 TYR 9 HE2 TYR 9 -7.361 1.804 5.515
67 HH TYR 9 HH TYR 9 -9.264 3.159 6.001
68 H ILE 10 H ILE 10 -6.357 -2.781 1.088
69 HA ILE 10 HA ILE 10 -7.169 -5.442 0.499
70 HB ILE 10 HB ILE 10 -7.406 -4.036 -1.609
71 HG12 ILE 10 1HG1 ILE 10 -6.108 -5.566 -3.059
72 HG13 ILE 10 2HG1 ILE 10 -5.283 -6.168 -1.620
73 HG21 ILE 10 1HG2 ILE 10 -4.422 -3.715 -1.367
74 HG22 ILE 10 2HG2 ILE 10 -5.626 -2.436 -1.243
75 HG23 ILE 10 3HG2 ILE 10 -5.392 -3.279 -2.776
76 HD11 ILE 10 3HD1 ILE 10 -8.227 -6.211 -2.024
77 HD12 ILE 10 1HD1 ILE 10 -7.327 -6.922 -0.700
78 HD13 ILE 10 2HD1 ILE 10 -7.161 -7.609 -2.331
79 H HIS 11 H HIS 11 -5.296 -6.798 0.660
80 HA HIS 11 HA HIS 11 -3.256 -5.612 2.234
81 HB2 HIS 11 1HB HIS 11 -2.158 -7.757 2.402
82 HB3 HIS 11 2HB HIS 11 -3.884 -8.008 2.558
83 HD1 HIS 11 HD1 HIS 11 -0.965 -9.305 0.901
84 HD2 HIS 11 HD2 HIS 11 -5.011 -9.087 -0.040
85 HE1 HIS 11 HE1 HIS 11 -1.368 -11.095 -0.778
86 HE2 HIS 11 HE2 HIS 11 -3.691 -10.659 -1.579
87 H CYS 12 H CYS 12 -1.488 -4.723 1.723
88 HA CYS 12 HA CYS 12 -0.721 -4.181 -0.918
89 HB2 CYS 12 1HB CYS 12 -0.302 -2.645 0.934
90 HB3 CYS 12 2HB CYS 12 0.626 -3.880 1.765
91 H GLU 13 H GLU 13 0.819 -5.183 -2.059
92 HA GLU 13 HA GLU 13 1.638 -7.851 -1.202
93 HB2 GLU 13 1HB GLU 13 2.265 -6.419 -3.802
94 HB3 GLU 13 2HB GLU 13 2.500 -8.123 -3.476
95 HG2 GLU 13 1HG GLU 13 -0.122 -6.669 -3.723
96 HG3 GLU 13 2HG GLU 13 0.566 -7.821 -4.859
97 H ASN 14 H ASN 14 2.688 -4.757 -1.148
98 HA ASN 14 HA ASN 14 5.491 -5.333 -1.436
99 HB2 ASN 14 1HB ASN 14 3.917 -2.796 -1.248
100 HB3 ASN 14 2HB ASN 14 5.673 -2.748 -0.940
101 HD21 ASN 14 2HD2 ASN 14 3.128 -3.338 -3.264
102 HD22 ASN 14 1HD2 ASN 14 4.126 -3.330 -4.654
103 H CYS 15 H CYS 15 3.502 -4.048 1.246
104 HA CYS 15 HA CYS 15 5.643 -5.117 2.972
105 HB2 CYS 15 1HB CYS 15 4.849 -3.576 4.755
106 HB3 CYS 15 2HB CYS 15 5.404 -2.717 3.321
107 H GLY 16 H GLY 16 2.954 -6.228 1.793
108 HA2 GLY 16 1HA GLY 16 1.393 -7.789 2.428
109 HA3 GLY 16 2HA GLY 16 2.445 -8.108 3.800
110 H ARG 17 H ARG 17 0.809 -5.100 3.073
111 HA ARG 17 HA ARG 17 -0.575 -5.472 5.611
112 HB2 ARG 17 1HB ARG 17 1.249 -4.058 6.119
113 HB3 ARG 17 2HB ARG 17 0.886 -2.980 4.782
114 HG2 ARG 17 1HG ARG 17 -1.089 -2.217 5.850
115 HG3 ARG 17 2HG ARG 17 -0.951 -3.437 7.108
116 HD2 ARG 17 1HD ARG 17 -0.251 -1.206 7.879
117 HD3 ARG 17 2HD ARG 17 1.038 -2.392 7.974
118 HE ARG 17 HE ARG 17 1.841 -1.384 5.832
119 HH11 ARG 17 1HH1 ARG 17 -0.073 0.537 8.113
120 HH12 ARG 17 2HH1 ARG 17 0.701 2.003 7.752
121 HH21 ARG 17 1HH2 ARG 17 2.976 0.698 5.384
122 HH22 ARG 17 2HH2 ARG 17 2.432 2.078 6.206
123 H ASP 18 H ASP 18 -2.626 -5.021 5.767
124 HA ASP 18 HA ASP 18 -4.350 -4.470 3.632
125 HB2 ASP 18 1HB ASP 18 -4.951 -5.651 5.737
126 HB3 ASP 18 2HB ASP 18 -4.675 -4.058 6.524
127 H VAL 19 H VAL 19 -4.127 -2.672 2.689
128 HA VAL 19 HA VAL 19 -4.466 -0.124 4.143
129 HB VAL 19 HB VAL 19 -2.491 -0.604 1.864
130 HG11 VAL 19 1HG1 VAL 19 -1.747 1.701 2.209
131 HG12 VAL 19 2HG1 VAL 19 -2.976 1.918 3.453
132 HG13 VAL 19 3HG1 VAL 19 -3.460 1.659 1.774
133 HG21 VAL 19 3HG2 VAL 19 -1.922 -1.513 4.090
134 HG22 VAL 19 1HG2 VAL 19 -1.929 0.109 4.731
135 HG23 VAL 19 2HG2 VAL 19 -0.727 -0.335 3.490
136 H SER 20 H SER 20 -5.581 1.512 2.883
137 HA SER 20 HA SER 20 -7.692 0.575 1.305
138 HB2 SER 20 1HB SER 20 -7.800 2.698 2.507
139 HB3 SER 20 2HB SER 20 -6.521 3.357 1.492
140 HG SER 20 HG SER 20 -8.427 4.034 0.641
141 H ALA 21 H ALA 21 -7.907 0.127 -0.719
142 HA ALA 21 HA ALA 21 -5.688 -0.055 -2.464
143 HB1 ALA 21 3HB ALA 21 -7.332 -0.864 -4.082
144 HB2 ALA 21 1HB ALA 21 -8.633 -0.304 -3.032
145 HB3 ALA 21 2HB ALA 21 -7.584 -1.623 -2.508
146 H ASN 22 H ASN 22 -7.770 2.443 -1.657
147 HA ASN 22 HA ASN 22 -7.479 3.883 -4.179
148 HB2 ASN 22 1HB ASN 22 -9.643 3.845 -2.963
149 HB3 ASN 22 2HB ASN 22 -8.879 4.649 -1.607
150 HD21 ASN 22 2HD2 ASN 22 -8.480 6.846 -1.727
151 HD22 ASN 22 1HD2 ASN 22 -9.092 7.860 -2.984
152 H ARG 23 H ARG 23 -5.805 3.442 -1.313
153 HA ARG 23 HA ARG 23 -4.424 6.041 -1.506
154 HB2 ARG 23 1HB ARG 23 -5.575 5.629 0.644
155 HB3 ARG 23 2HB ARG 23 -4.737 4.102 0.800
156 HG2 ARG 23 1HG ARG 23 -3.777 5.740 2.280
157 HG3 ARG 23 2HG ARG 23 -2.613 5.301 1.029
158 HD2 ARG 23 1HD ARG 23 -3.120 7.352 -0.182
159 HD3 ARG 23 2HD ARG 23 -4.348 7.775 1.008
160 HE ARG 23 HE ARG 23 -2.141 7.507 2.517
161 HH11 ARG 23 1HH1 ARG 23 -2.785 9.360 -0.426
162 HH12 ARG 23 2HH1 ARG 23 -1.684 10.599 -0.071
163 HH21 ARG 23 1HH2 ARG 23 -0.619 9.287 3.035
164 HH22 ARG 23 2HH2 ARG 23 -0.444 10.570 1.935
165 H LEU 24 H LEU 24 -4.251 2.883 -2.346
166 HA LEU 24 HA LEU 24 -1.885 1.851 -1.309
167 HB2 LEU 24 1HB LEU 24 -3.906 0.886 -2.823
168 HB3 LEU 24 2HB LEU 24 -2.626 0.943 -4.005
169 HG LEU 24 HG LEU 24 -2.780 -1.244 -3.082
170 HD11 LEU 24 1HD1 LEU 24 -0.461 -1.623 -2.202
171 HD12 LEU 24 2HD1 LEU 24 -0.294 0.105 -2.039
172 HD13 LEU 24 3HD1 LEU 24 -0.518 -0.604 -3.631
173 HD21 LEU 24 3HD2 LEU 24 -2.348 -0.018 -0.365
174 HD22 LEU 24 1HD2 LEU 24 -2.383 -1.744 -0.707
175 HD23 LEU 24 2HD2 LEU 24 -3.829 -0.763 -0.958
176 H ALA 25 H ALA 25 -2.400 3.686 -4.239
177 HA ALA 25 HA ALA 25 0.194 3.337 -5.316
178 HB1 ALA 25 3HB ALA 25 -1.517 5.777 -5.765
179 HB2 ALA 25 1HB ALA 25 -1.729 4.241 -6.616
180 HB3 ALA 25 2HB ALA 25 -0.234 5.155 -6.785
181 H ALA 26 H ALA 26 -1.042 6.176 -3.545
182 HA ALA 26 HA ALA 26 1.496 7.431 -3.327
183 HB1 ALA 26 3HB ALA 26 -0.617 8.645 -2.954
184 HB2 ALA 26 1HB ALA 26 0.460 8.813 -1.569
185 HB3 ALA 26 2HB ALA 26 -0.900 7.697 -1.495
186 H HIS 27 H HIS 27 -0.207 5.123 -1.438
187 HA HIS 27 HA HIS 27 1.438 4.907 0.797
188 HB2 HIS 27 1HB HIS 27 -0.694 3.701 0.817
189 HB3 HIS 27 2HB HIS 27 -0.238 2.844 -0.634
190 HD1 HIS 27 HD1 HIS 27 0.732 2.945 3.045
191 HD2 HIS 27 HD2 HIS 27 1.126 0.567 -0.315
192 HE1 HIS 27 HE1 HIS 27 1.912 0.903 3.822
193 H LEU 28 H LEU 28 1.557 3.311 -2.358
194 HA LEU 28 HA LEU 28 3.749 1.701 -1.801
195 HB2 LEU 28 1HB LEU 28 2.115 2.206 -4.056
196 HB3 LEU 28 2HB LEU 28 3.797 2.470 -4.511
197 HG LEU 28 HG LEU 28 3.008 0.174 -4.972
198 HD11 LEU 28 1HD1 LEU 28 5.239 0.429 -2.955
199 HD12 LEU 28 2HD1 LEU 28 5.379 0.648 -4.700
200 HD13 LEU 28 3HD1 LEU 28 4.981 -0.938 -4.037
201 HD21 LEU 28 3HD2 LEU 28 1.544 -0.016 -3.002
202 HD22 LEU 28 1HD2 LEU 28 2.938 -0.081 -1.951
203 HD23 LEU 28 2HD2 LEU 28 2.658 -1.378 -3.110
204 H GLN 29 H GLN 29 3.516 4.951 -3.054
205 HA GLN 29 HA GLN 29 6.293 5.166 -3.520
206 HB2 GLN 29 1HB GLN 29 4.231 7.285 -2.987
207 HB3 GLN 29 2HB GLN 29 5.932 7.712 -3.059
208 HG2 GLN 29 1HG GLN 29 4.961 8.138 -5.198
209 HG3 GLN 29 2HG GLN 29 6.029 6.752 -5.344
210 HE21 GLN 29 2HE2 GLN 29 5.104 4.693 -5.697
211 HE22 GLN 29 1HE2 GLN 29 3.482 4.534 -6.256
212 H ARG 30 H ARG 30 4.437 5.672 -0.580
213 HA ARG 30 HA ARG 30 6.741 6.481 1.000
214 HB2 ARG 30 1HB ARG 30 4.290 7.022 1.488
215 HB3 ARG 30 2HB ARG 30 4.116 5.341 1.967
216 HG2 ARG 30 1HG ARG 30 4.425 6.732 3.916
217 HG3 ARG 30 2HG ARG 30 5.828 5.685 3.702
218 HD2 ARG 30 1HD ARG 30 6.436 7.985 4.305
219 HD3 ARG 30 2HD ARG 30 7.103 7.519 2.743
220 HE ARG 30 HE ARG 30 4.575 8.853 2.561
221 HH11 ARG 30 1HH1 ARG 30 8.065 9.469 2.864
222 HH12 ARG 30 2HH1 ARG 30 7.972 11.012 2.160
223 HH21 ARG 30 1HH2 ARG 30 4.502 10.948 1.577
224 HH22 ARG 30 2HH2 ARG 30 5.903 11.883 1.397
225 H CYS 31 H CYS 31 4.999 3.527 0.423
226 HA CYS 31 HA CYS 31 6.242 1.818 2.199
227 HB2 CYS 31 1HB CYS 31 4.117 1.437 0.877
228 HB3 CYS 31 2HB CYS 31 5.121 1.144 -0.525
229 H LEU 32 H LEU 32 7.045 2.719 -1.137
230 HA LEU 32 HA LEU 32 9.198 0.855 -1.345
231 HB2 LEU 32 1HB LEU 32 7.605 2.070 -3.172
232 HB3 LEU 32 2HB LEU 32 8.946 3.187 -3.186
233 HG LEU 32 HG LEU 32 9.083 1.554 -5.014
234 HD11 LEU 32 1HD1 LEU 32 11.266 1.182 -2.983
235 HD12 LEU 32 2HD1 LEU 32 11.166 2.460 -4.195
236 HD13 LEU 32 3HD1 LEU 32 11.372 0.785 -4.697
237 HD21 LEU 32 3HD2 LEU 32 9.517 -0.786 -4.579
238 HD22 LEU 32 1HD2 LEU 32 7.955 -0.307 -3.924
239 HD23 LEU 32 2HD2 LEU 32 9.341 -0.529 -2.848
240 H SER 33 H SER 33 8.806 4.314 -0.670
241 HA SER 33 HA SER 33 11.518 4.994 -0.607
242 HB2 SER 33 1HB SER 33 9.718 6.686 -0.637
243 HB3 SER 33 2HB SER 33 9.201 6.167 0.964
244 HG SER 33 HG SER 33 11.809 7.132 0.435
245 H ARG 34 H ARG 34 9.354 3.855 2.002
246 HA ARG 34 HA ARG 34 11.595 2.705 3.318
247 HB2 ARG 34 1HB ARG 34 11.117 3.820 5.529
248 HB3 ARG 34 2HB ARG 34 11.878 4.826 4.324
249 HG2 ARG 34 1HG ARG 34 10.236 6.103 5.586
250 HG3 ARG 34 2HG ARG 34 9.722 5.954 3.911
251 HD2 ARG 34 1HD ARG 34 8.034 4.481 4.421
252 HD3 ARG 34 2HD ARG 34 8.691 4.052 6.013
253 HE ARG 34 HE ARG 34 7.877 6.798 5.648
254 HH11 ARG 34 1HH1 ARG 34 6.866 3.547 6.757
255 HH12 ARG 34 2HH1 ARG 34 5.524 4.107 7.622
256 HH21 ARG 34 1HH2 ARG 34 5.981 7.563 6.886
257 HH22 ARG 34 2HH2 ARG 34 5.000 6.453 7.692
258 H GLY 35 H GLY 35 11.030 1.275 5.014
259 HA2 GLY 35 1HA GLY 35 8.326 0.246 4.677
260 HA3 GLY 35 2HA GLY 35 9.661 -0.573 5.492
261 H ALA 36 H ALA 36 9.939 -0.330 7.591
262 HA ALA 36 HA ALA 36 8.048 1.370 9.030
263 HB1 ALA 36 3HB ALA 36 8.609 -0.042 10.971
264 HB2 ALA 36 1HB ALA 36 9.736 -0.960 9.973
265 HB3 ALA 36 2HB ALA 36 8.009 -1.012 9.625
266 H ARG 37 H ARG 37 8.832 2.828 10.529
267 HA ARG 37 HA ARG 37 10.214 4.301 11.533
268 HB2 ARG 37 1HB ARG 37 12.342 2.265 10.897
269 HB3 ARG 37 2HB ARG 37 12.663 3.716 11.819
270 HG2 ARG 37 1HG ARG 37 11.079 2.947 13.537
271 HG3 ARG 37 2HG ARG 37 10.793 1.479 12.594
272 HD2 ARG 37 1HD ARG 37 13.138 0.899 12.751
273 HD3 ARG 37 2HD ARG 37 13.470 2.382 13.635
274 HE ARG 37 HE ARG 37 11.516 0.848 14.970
275 HH11 ARG 37 1HH1 ARG 37 14.974 0.861 14.237
276 HH12 ARG 37 2HH1 ARG 37 15.462 0.076 15.642
277 HH21 ARG 37 1HH2 ARG 37 12.180 -0.306 16.976
278 HH22 ARG 37 2HH2 ARG 37 13.845 -0.594 17.232
279 H ARG 38 H ARG 38 11.696 6.028 11.081
280 HA ARG 38 HA ARG 38 12.489 6.170 8.282
281 HB2 ARG 38 1HB ARG 38 11.181 8.353 9.919
282 HB3 ARG 38 2HB ARG 38 12.200 8.734 8.540
283 HG2 ARG 38 1HG ARG 38 10.010 8.786 7.718
284 HG3 ARG 38 2HG ARG 38 10.672 7.252 7.181
285 HD2 ARG 38 1HD ARG 38 8.468 6.819 7.933
286 HD3 ARG 38 2HD ARG 38 9.555 6.197 9.177
287 HE ARG 38 HE ARG 38 8.875 8.837 9.777
288 HH11 ARG 38 1HH1 ARG 38 7.370 5.598 9.770
289 HH12 ARG 38 2HH1 ARG 38 6.171 6.040 10.890
290 HH21 ARG 38 1HH2 ARG 38 7.189 9.364 11.328
291 HH22 ARG 38 2HH2 ARG 38 6.069 8.159 11.775
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -18.800 -16.887 5.817
2 H2 GLY 1 2H GLY 1 -17.152 -16.496 5.774
3 H3 GLY 1 3H GLY 1 -17.800 -17.529 4.617
4 HA2 GLY 1 1HA GLY 1 -19.113 -15.794 3.682
5 HA3 GLY 1 2HA GLY 1 -18.485 -14.676 4.886
6 H LYS 2 H LYS 2 -17.686 -13.414 3.156
7 HA LYS 2 HA LYS 2 -15.081 -14.359 2.207
8 HB2 LYS 2 1HB LYS 2 -16.752 -14.599 0.376
9 HB3 LYS 2 2HB LYS 2 -17.130 -12.889 0.536
10 HG2 LYS 2 1HG LYS 2 -14.823 -12.339 -0.098
11 HG3 LYS 2 2HG LYS 2 -14.484 -14.059 -0.292
12 HD2 LYS 2 1HD LYS 2 -14.939 -13.093 -2.453
13 HD3 LYS 2 2HD LYS 2 -16.263 -14.170 -2.007
14 HE2 LYS 2 1HE LYS 2 -17.606 -12.248 -1.329
15 HE3 LYS 2 2HE LYS 2 -16.272 -11.162 -1.730
16 HZ1 LYS 2 3HZ LYS 2 -16.454 -11.941 -4.030
17 HZ2 LYS 2 1HZ LYS 2 -17.874 -11.206 -3.481
18 HZ3 LYS 2 2HZ LYS 2 -17.787 -12.885 -3.595
19 H GLN 3 H GLN 3 -17.242 -11.563 2.060
20 HA GLN 3 HA GLN 3 -17.244 -9.554 2.970
21 HB2 GLN 3 1HB GLN 3 -16.322 -10.486 5.035
22 HB3 GLN 3 2HB GLN 3 -14.694 -10.319 4.400
23 HG2 GLN 3 1HG GLN 3 -14.987 -7.890 4.327
24 HG3 GLN 3 2HG GLN 3 -16.605 -8.079 4.992
25 HE21 GLN 3 2HE2 GLN 3 -14.311 -6.703 5.994
26 HE22 GLN 3 1HE2 GLN 3 -14.015 -7.308 7.595
27 H GLN 4 H GLN 4 -17.098 -8.040 1.571
28 HA GLN 4 HA GLN 4 -14.569 -6.844 0.969
29 HB2 GLN 4 1HB GLN 4 -14.906 -6.796 -1.473
30 HB3 GLN 4 2HB GLN 4 -14.759 -8.446 -0.903
31 HG2 GLN 4 1HG GLN 4 -17.087 -8.822 -1.140
32 HG3 GLN 4 2HG GLN 4 -17.391 -7.114 -1.448
33 HE21 GLN 4 2HE2 GLN 4 -16.756 -6.231 -3.433
34 HE22 GLN 4 1HE2 GLN 4 -16.476 -7.227 -4.803
35 H GLU 5 H GLU 5 -15.285 -4.895 -0.708
36 HA GLU 5 HA GLU 5 -16.376 -3.014 -1.067
37 HB2 GLU 5 1HB GLU 5 -18.812 -4.340 0.142
38 HB3 GLU 5 2HB GLU 5 -18.814 -2.758 -0.630
39 HG2 GLU 5 1HG GLU 5 -18.269 -5.420 -1.915
40 HG3 GLU 5 2HG GLU 5 -19.625 -4.338 -2.201
41 H SER 6 H SER 6 -17.497 -4.037 2.145
42 HA SER 6 HA SER 6 -17.020 -1.462 3.273
43 HB2 SER 6 1HB SER 6 -18.463 -3.188 4.391
44 HB3 SER 6 2HB SER 6 -17.038 -4.194 4.636
45 HG SER 6 HG SER 6 -16.746 -1.644 5.578
46 H SER 7 H SER 7 -15.233 -4.365 2.720
47 HA SER 7 HA SER 7 -12.810 -3.367 3.862
48 HB2 SER 7 1HB SER 7 -13.354 -5.840 2.221
49 HB3 SER 7 2HB SER 7 -11.924 -5.529 3.206
50 HG SER 7 HG SER 7 -13.201 -5.462 4.992
51 H GLN 8 H GLN 8 -12.685 -1.484 2.568
52 HA GLN 8 HA GLN 8 -12.063 -1.847 -0.262
53 HB2 GLN 8 1HB GLN 8 -12.518 0.558 1.450
54 HB3 GLN 8 2HB GLN 8 -11.762 0.712 -0.132
55 HG2 GLN 8 1HG GLN 8 -13.738 -0.341 -1.150
56 HG3 GLN 8 2HG GLN 8 -14.467 -0.520 0.438
57 HE21 GLN 8 2HE2 GLN 8 -15.434 0.836 -1.903
58 HE22 GLN 8 1HE2 GLN 8 -15.725 2.470 -1.459
59 H TYR 9 H TYR 9 -10.446 -2.667 2.067
60 HA TYR 9 HA TYR 9 -7.987 -1.219 1.486
61 HB2 TYR 9 1HB TYR 9 -8.403 -3.362 3.573
62 HB3 TYR 9 2HB TYR 9 -7.087 -2.219 3.451
63 HD1 TYR 9 HD1 TYR 9 -7.369 0.105 4.208
64 HD2 TYR 9 HD2 TYR 9 -10.519 -2.728 4.583
65 HE1 TYR 9 HE1 TYR 9 -8.505 1.574 5.821
66 HE2 TYR 9 HE2 TYR 9 -11.654 -1.267 6.187
67 HH TYR 9 HH TYR 9 -10.765 1.959 6.661
68 H ILE 10 H ILE 10 -6.353 -2.304 0.493
69 HA ILE 10 HA ILE 10 -7.048 -4.930 -0.502
70 HB ILE 10 HB ILE 10 -6.953 -2.942 -2.128
71 HG12 ILE 10 1HG1 ILE 10 -5.722 -4.237 -3.866
72 HG13 ILE 10 2HG1 ILE 10 -5.221 -5.357 -2.598
73 HG21 ILE 10 1HG2 ILE 10 -3.998 -3.189 -1.661
74 HG22 ILE 10 2HG2 ILE 10 -5.017 -1.812 -1.262
75 HG23 ILE 10 3HG2 ILE 10 -4.762 -2.258 -2.951
76 HD11 ILE 10 3HD1 ILE 10 -7.164 -6.180 -3.815
77 HD12 ILE 10 1HD1 ILE 10 -8.047 -4.721 -3.359
78 HD13 ILE 10 2HD1 ILE 10 -7.542 -5.861 -2.118
79 H HIS 11 H HIS 11 -5.228 -6.352 -0.735
80 HA HIS 11 HA HIS 11 -3.397 -6.138 1.443
81 HB2 HIS 11 1HB HIS 11 -4.338 -8.315 0.851
82 HB3 HIS 11 2HB HIS 11 -3.667 -8.188 -0.764
83 HD1 HIS 11 HD1 HIS 11 -2.635 -8.831 2.809
84 HD2 HIS 11 HD2 HIS 11 -1.027 -8.988 -1.018
85 HE1 HIS 11 HE1 HIS 11 -0.441 -10.045 3.031
86 HE2 HIS 11 HE2 HIS 11 0.245 -10.440 0.649
87 H CYS 12 H CYS 12 -1.650 -4.885 1.325
88 HA CYS 12 HA CYS 12 -0.312 -4.322 -1.141
89 HB2 CYS 12 1HB CYS 12 -0.325 -2.717 0.848
90 HB3 CYS 12 2HB CYS 12 0.566 -3.968 1.726
91 H GLU 13 H GLU 13 1.271 -5.589 -1.877
92 HA GLU 13 HA GLU 13 1.959 -7.948 -0.279
93 HB2 GLU 13 1HB GLU 13 2.909 -8.899 -2.305
94 HB3 GLU 13 2HB GLU 13 1.289 -8.326 -2.657
95 HG2 GLU 13 1HG GLU 13 3.812 -6.818 -3.335
96 HG3 GLU 13 2HG GLU 13 2.981 -7.907 -4.441
97 H ASN 14 H ASN 14 2.906 -4.958 -0.999
98 HA ASN 14 HA ASN 14 5.694 -5.436 -1.083
99 HB2 ASN 14 1HB ASN 14 4.001 -3.005 -1.429
100 HB3 ASN 14 2HB ASN 14 5.696 -2.765 -0.945
101 HD21 ASN 14 2HD2 ASN 14 4.051 -2.493 -3.542
102 HD22 ASN 14 1HD2 ASN 14 5.041 -3.231 -4.721
103 H CYS 15 H CYS 15 3.564 -4.261 1.452
104 HA CYS 15 HA CYS 15 5.783 -5.027 3.221
105 HB2 CYS 15 1HB CYS 15 4.806 -3.507 4.958
106 HB3 CYS 15 2HB CYS 15 5.427 -2.637 3.544
107 H GLY 16 H GLY 16 2.978 -6.103 2.059
108 HA2 GLY 16 1HA GLY 16 1.506 -7.739 2.728
109 HA3 GLY 16 2HA GLY 16 2.587 -8.003 4.089
110 H ARG 17 H ARG 17 0.777 -5.151 3.207
111 HA ARG 17 HA ARG 17 -0.505 -5.293 5.836
112 HB2 ARG 17 1HB ARG 17 1.302 -3.757 5.934
113 HB3 ARG 17 2HB ARG 17 0.808 -2.907 4.504
114 HG2 ARG 17 1HG ARG 17 -1.153 -2.097 5.734
115 HG3 ARG 17 2HG ARG 17 -0.602 -2.976 7.167
116 HD2 ARG 17 1HD ARG 17 1.500 -1.713 7.125
117 HD3 ARG 17 2HD ARG 17 0.943 -0.824 5.712
118 HE ARG 17 HE ARG 17 -0.930 -0.482 7.737
119 HH11 ARG 17 1HH1 ARG 17 2.464 0.331 7.161
120 HH12 ARG 17 2HH1 ARG 17 2.435 1.739 8.108
121 HH21 ARG 17 1HH2 ARG 17 -0.988 1.446 8.989
122 HH22 ARG 17 2HH2 ARG 17 0.405 2.421 9.154
123 H ASP 18 H ASP 18 -2.592 -4.164 5.970
124 HA ASP 18 HA ASP 18 -4.107 -4.550 3.492
125 HB2 ASP 18 1HB ASP 18 -4.568 -5.737 5.746
126 HB3 ASP 18 2HB ASP 18 -4.982 -4.079 6.235
127 H VAL 19 H VAL 19 -4.070 -2.626 2.499
128 HA VAL 19 HA VAL 19 -4.638 -0.189 4.089
129 HB VAL 19 HB VAL 19 -2.670 -0.423 1.795
130 HG11 VAL 19 1HG1 VAL 19 -3.677 1.798 1.893
131 HG12 VAL 19 2HG1 VAL 19 -1.985 1.852 2.387
132 HG13 VAL 19 3HG1 VAL 19 -3.263 1.922 3.602
133 HG21 VAL 19 3HG2 VAL 19 -2.173 -0.057 4.729
134 HG22 VAL 19 1HG2 VAL 19 -0.928 -0.205 3.478
135 HG23 VAL 19 2HG2 VAL 19 -2.032 -1.561 3.876
136 H SER 20 H SER 20 -5.859 1.435 3.055
137 HA SER 20 HA SER 20 -8.018 0.733 1.499
138 HB2 SER 20 1HB SER 20 -6.671 3.423 1.570
139 HB3 SER 20 2HB SER 20 -8.393 3.047 1.426
140 HG SER 20 HG SER 20 -8.282 3.411 3.504
141 H ALA 21 H ALA 21 -8.191 0.174 -0.533
142 HA ALA 21 HA ALA 21 -6.119 -0.125 -2.344
143 HB1 ALA 21 3HB ALA 21 -7.807 -0.671 -3.979
144 HB2 ALA 21 1HB ALA 21 -9.046 0.120 -3.005
145 HB3 ALA 21 2HB ALA 21 -8.265 -1.337 -2.409
146 H ASN 22 H ASN 22 -8.178 2.582 -1.840
147 HA ASN 22 HA ASN 22 -7.461 3.900 -4.319
148 HB2 ASN 22 1HB ASN 22 -9.680 4.284 -3.270
149 HB3 ASN 22 2HB ASN 22 -8.865 5.010 -1.891
150 HD21 ASN 22 2HD2 ASN 22 -8.268 7.145 -1.996
151 HD22 ASN 22 1HD2 ASN 22 -8.534 8.159 -3.351
152 H ARG 23 H ARG 23 -6.047 3.609 -1.260
153 HA ARG 23 HA ARG 23 -4.485 6.053 -1.626
154 HB2 ARG 23 1HB ARG 23 -5.248 4.492 0.777
155 HB3 ARG 23 2HB ARG 23 -3.903 5.585 0.883
156 HG2 ARG 23 1HG ARG 23 -5.427 7.421 0.113
157 HG3 ARG 23 2HG ARG 23 -6.754 6.262 0.166
158 HD2 ARG 23 1HD ARG 23 -6.691 7.610 2.162
159 HD3 ARG 23 2HD ARG 23 -6.365 5.905 2.511
160 HE ARG 23 HE ARG 23 -3.907 7.171 2.165
161 HH11 ARG 23 1HH1 ARG 23 -6.594 7.400 4.483
162 HH12 ARG 23 2HH1 ARG 23 -5.585 7.814 5.782
163 HH21 ARG 23 1HH2 ARG 23 -2.571 7.764 3.946
164 HH22 ARG 23 2HH2 ARG 23 -3.250 8.037 5.487
165 H LEU 24 H LEU 24 -4.301 2.954 -2.358
166 HA LEU 24 HA LEU 24 -1.962 2.036 -1.089
167 HB2 LEU 24 1HB LEU 24 -3.827 0.739 -2.386
168 HB3 LEU 24 2HB LEU 24 -2.818 1.023 -3.779
169 HG LEU 24 HG LEU 24 -2.526 -1.208 -2.867
170 HD11 LEU 24 1HD1 LEU 24 -0.589 -0.440 -4.008
171 HD12 LEU 24 2HD1 LEU 24 0.015 -1.222 -2.539
172 HD13 LEU 24 3HD1 LEU 24 -0.097 0.522 -2.629
173 HD21 LEU 24 3HD2 LEU 24 -3.017 -0.782 -0.537
174 HD22 LEU 24 1HD2 LEU 24 -1.514 0.123 -0.358
175 HD23 LEU 24 2HD2 LEU 24 -1.468 -1.607 -0.699
176 H ALA 25 H ALA 25 -2.523 3.713 -4.082
177 HA ALA 25 HA ALA 25 -0.052 3.585 -5.318
178 HB1 ALA 25 3HB ALA 25 -0.600 5.682 -6.432
179 HB2 ALA 25 1HB ALA 25 -1.845 6.004 -5.226
180 HB3 ALA 25 2HB ALA 25 -2.019 4.640 -6.328
181 H ALA 26 H ALA 26 -1.033 6.302 -3.184
182 HA ALA 26 HA ALA 26 1.575 7.395 -3.018
183 HB1 ALA 26 3HB ALA 26 -0.801 7.765 -1.205
184 HB2 ALA 26 1HB ALA 26 -0.381 8.755 -2.600
185 HB3 ALA 26 2HB ALA 26 0.662 8.751 -1.177
186 H HIS 27 H HIS 27 -0.283 5.165 -1.096
187 HA HIS 27 HA HIS 27 1.373 4.824 1.089
188 HB2 HIS 27 1HB HIS 27 -0.763 3.608 1.034
189 HB3 HIS 27 2HB HIS 27 -0.259 2.790 -0.429
190 HD1 HIS 27 HD1 HIS 27 0.696 2.874 3.232
191 HD2 HIS 27 HD2 HIS 27 1.071 0.509 -0.134
192 HE1 HIS 27 HE1 HIS 27 1.918 0.822 4.000
193 H LEU 28 H LEU 28 1.473 3.172 -2.053
194 HA LEU 28 HA LEU 28 3.685 1.586 -1.480
195 HB2 LEU 28 1HB LEU 28 1.975 1.987 -3.736
196 HB3 LEU 28 2HB LEU 28 3.689 2.230 -4.149
197 HG LEU 28 HG LEU 28 2.749 -0.121 -4.497
198 HD11 LEU 28 1HD1 LEU 28 4.942 -1.003 -3.888
199 HD12 LEU 28 2HD1 LEU 28 5.237 0.443 -2.926
200 HD13 LEU 28 3HD1 LEU 28 5.063 0.567 -4.677
201 HD21 LEU 28 3HD2 LEU 28 1.790 -0.138 -2.125
202 HD22 LEU 28 1HD2 LEU 28 3.426 -0.350 -1.558
203 HD23 LEU 28 2HD2 LEU 28 2.688 -1.577 -2.600
204 H GLN 29 H GLN 29 3.342 4.789 -2.800
205 HA GLN 29 HA GLN 29 5.999 5.061 -3.656
206 HB2 GLN 29 1HB GLN 29 4.287 7.275 -2.506
207 HB3 GLN 29 2HB GLN 29 5.727 7.487 -3.482
208 HG2 GLN 29 1HG GLN 29 3.016 6.513 -4.326
209 HG3 GLN 29 2HG GLN 29 3.926 7.903 -4.906
210 HE21 GLN 29 2HE2 GLN 29 3.362 4.562 -5.182
211 HE22 GLN 29 1HE2 GLN 29 4.382 4.232 -6.521
212 H ARG 30 H ARG 30 4.499 5.694 -0.525
213 HA ARG 30 HA ARG 30 6.989 6.460 0.724
214 HB2 ARG 30 1HB ARG 30 4.807 7.309 1.457
215 HB3 ARG 30 2HB ARG 30 4.317 5.676 1.878
216 HG2 ARG 30 1HG ARG 30 5.890 5.581 3.651
217 HG3 ARG 30 2HG ARG 30 6.642 7.094 3.139
218 HD2 ARG 30 1HD ARG 30 5.162 7.453 5.032
219 HD3 ARG 30 2HD ARG 30 4.589 8.283 3.583
220 HE ARG 30 HE ARG 30 3.437 5.685 4.023
221 HH11 ARG 30 1HH1 ARG 30 3.123 9.148 4.706
222 HH12 ARG 30 2HH1 ARG 30 1.460 9.088 4.982
223 HH21 ARG 30 1HH2 ARG 30 1.143 5.603 4.447
224 HH22 ARG 30 2HH2 ARG 30 0.306 7.028 4.875
225 H CYS 31 H CYS 31 4.987 3.596 0.667
226 HA CYS 31 HA CYS 31 6.229 1.885 2.364
227 HB2 CYS 31 1HB CYS 31 4.116 1.457 1.009
228 HB3 CYS 31 2HB CYS 31 5.167 1.164 -0.360
229 H LEU 32 H LEU 32 6.944 2.293 -1.135
230 HA LEU 32 HA LEU 32 9.251 0.639 -0.821
231 HB2 LEU 32 1HB LEU 32 7.688 1.551 -3.164
232 HB3 LEU 32 2HB LEU 32 9.391 1.116 -3.432
233 HG LEU 32 HG LEU 32 7.119 -0.605 -2.423
234 HD11 LEU 32 1HD1 LEU 32 7.201 -0.291 -4.819
235 HD12 LEU 32 2HD1 LEU 32 7.621 -1.947 -4.383
236 HD13 LEU 32 3HD1 LEU 32 8.888 -0.809 -4.839
237 HD21 LEU 32 3HD2 LEU 32 10.067 -1.283 -2.558
238 HD22 LEU 32 1HD2 LEU 32 8.768 -2.458 -2.362
239 HD23 LEU 32 2HD2 LEU 32 9.041 -1.263 -1.114
240 H SER 33 H SER 33 8.718 4.064 -1.128
241 HA SER 33 HA SER 33 11.382 4.687 -1.849
242 HB2 SER 33 1HB SER 33 9.536 6.337 -2.003
243 HB3 SER 33 2HB SER 33 9.382 6.328 -0.255
244 HG SER 33 HG SER 33 11.907 6.908 -0.765
245 H ARG 34 H ARG 34 9.817 3.886 1.161
246 HA ARG 34 HA ARG 34 12.290 4.442 2.606
247 HB2 ARG 34 1HB ARG 34 9.562 3.692 3.634
248 HB3 ARG 34 2HB ARG 34 10.947 4.069 4.640
249 HG2 ARG 34 1HG ARG 34 10.979 6.345 3.660
250 HG3 ARG 34 2HG ARG 34 9.494 5.940 2.792
251 HD2 ARG 34 1HD ARG 34 8.957 7.122 4.814
252 HD3 ARG 34 2HD ARG 34 8.401 5.455 4.921
253 HE ARG 34 HE ARG 34 11.007 6.158 6.056
254 HH11 ARG 34 1HH1 ARG 34 7.654 5.182 6.687
255 HH12 ARG 34 2HH1 ARG 34 7.956 4.694 8.278
256 HH21 ARG 34 1HH2 ARG 34 11.421 5.419 8.244
257 HH22 ARG 34 2HH2 ARG 34 10.161 4.777 9.165
258 H GLY 35 H GLY 35 10.919 1.957 0.965
259 HA2 GLY 35 1HA GLY 35 11.741 -0.154 2.802
260 HA3 GLY 35 2HA GLY 35 10.885 -0.366 1.279
261 H ALA 36 H ALA 36 13.896 1.056 2.350
262 HA ALA 36 HA ALA 36 15.171 0.304 -0.111
263 HB1 ALA 36 3HB ALA 36 16.313 1.697 2.303
264 HB2 ALA 36 1HB ALA 36 15.623 2.488 0.888
265 HB3 ALA 36 2HB ALA 36 17.095 1.533 0.731
266 H ARG 37 H ARG 37 16.042 -1.572 -0.383
267 HA ARG 37 HA ARG 37 16.655 -3.320 1.832
268 HB2 ARG 37 1HB ARG 37 17.332 -4.961 0.060
269 HB3 ARG 37 2HB ARG 37 15.682 -4.382 -0.075
270 HG2 ARG 37 1HG ARG 37 16.358 -2.858 -1.868
271 HG3 ARG 37 2HG ARG 37 18.020 -3.437 -1.736
272 HD2 ARG 37 1HD ARG 37 16.793 -4.484 -3.595
273 HD3 ARG 37 2HD ARG 37 17.315 -5.659 -2.388
274 HE ARG 37 HE ARG 37 14.861 -5.113 -1.542
275 HH11 ARG 37 1HH1 ARG 37 15.931 -5.842 -4.827
276 HH12 ARG 37 2HH1 ARG 37 14.506 -6.678 -5.234
277 HH21 ARG 37 1HH2 ARG 37 12.989 -6.253 -2.070
278 HH22 ARG 37 2HH2 ARG 37 12.771 -6.902 -3.641
279 H ARG 38 H ARG 38 18.374 -1.485 -0.554
280 HA ARG 38 HA ARG 38 20.465 -0.727 -0.781
281 HB2 ARG 38 1HB ARG 38 20.924 -1.539 2.108
282 HB3 ARG 38 2HB ARG 38 21.898 -0.415 1.174
283 HG2 ARG 38 1HG ARG 38 19.024 -0.005 1.994
284 HG3 ARG 38 2HG ARG 38 20.432 0.773 2.715
285 HD2 ARG 38 1HD ARG 38 19.615 1.053 -0.176
286 HD3 ARG 38 2HD ARG 38 19.186 2.196 1.084
287 HE ARG 38 HE ARG 38 21.863 2.030 1.280
288 HH11 ARG 38 1HH1 ARG 38 19.762 2.612 -1.536
289 HH12 ARG 38 2HH1 ARG 38 20.834 3.727 -2.244
290 HH21 ARG 38 1HH2 ARG 38 23.269 3.589 0.314
291 HH22 ARG 38 2HH2 ARG 38 22.865 4.309 -1.175
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -23.853 -12.841 3.841
2 H2 GLY 1 2H GLY 1 -24.647 -11.568 3.086
3 H3 GLY 1 3H GLY 1 -24.873 -11.836 4.728
4 HA2 GLY 1 1HA GLY 1 -22.615 -11.288 5.181
5 HA3 GLY 1 2HA GLY 1 -22.345 -11.023 3.455
6 H LYS 2 H LYS 2 -22.137 -9.178 5.748
7 HA LYS 2 HA LYS 2 -23.873 -7.063 4.733
8 HB2 LYS 2 1HB LYS 2 -23.412 -7.740 7.653
9 HB3 LYS 2 2HB LYS 2 -24.153 -6.264 7.069
10 HG2 LYS 2 1HG LYS 2 -25.273 -9.013 6.607
11 HG3 LYS 2 2HG LYS 2 -25.749 -7.947 7.932
12 HD2 LYS 2 1HD LYS 2 -26.560 -6.303 6.350
13 HD3 LYS 2 2HD LYS 2 -26.007 -7.291 4.995
14 HE2 LYS 2 1HE LYS 2 -28.414 -7.540 5.356
15 HE3 LYS 2 2HE LYS 2 -27.558 -9.052 5.642
16 HZ1 LYS 2 3HZ LYS 2 -28.541 -7.186 7.742
17 HZ2 LYS 2 1HZ LYS 2 -27.716 -8.626 8.036
18 HZ3 LYS 2 2HZ LYS 2 -29.225 -8.667 7.321
19 H GLN 3 H GLN 3 -22.739 -5.206 4.518
20 HA GLN 3 HA GLN 3 -19.995 -5.290 5.482
21 HB2 GLN 3 1HB GLN 3 -21.182 -3.825 3.128
22 HB3 GLN 3 2HB GLN 3 -19.553 -3.542 3.724
23 HG2 GLN 3 1HG GLN 3 -20.597 -6.198 2.760
24 HG3 GLN 3 2HG GLN 3 -19.643 -5.074 1.794
25 HE21 GLN 3 2HE2 GLN 3 -17.459 -4.863 2.219
26 HE22 GLN 3 1HE2 GLN 3 -16.576 -5.945 3.232
27 H GLN 4 H GLN 4 -20.118 -4.450 7.432
28 HA GLN 4 HA GLN 4 -21.602 -2.182 8.234
29 HB2 GLN 4 1HB GLN 4 -20.634 -3.781 9.843
30 HB3 GLN 4 2HB GLN 4 -19.016 -3.332 9.330
31 HG2 GLN 4 1HG GLN 4 -19.489 -2.308 11.435
32 HG3 GLN 4 2HG GLN 4 -19.416 -1.059 10.198
33 HE21 GLN 4 2HE2 GLN 4 -20.659 -1.058 12.792
34 HE22 GLN 4 1HE2 GLN 4 -22.325 -0.681 12.539
35 H GLU 5 H GLU 5 -18.348 -2.696 7.163
36 HA GLU 5 HA GLU 5 -18.087 0.132 6.483
37 HB2 GLU 5 1HB GLU 5 -15.921 -1.821 7.300
38 HB3 GLU 5 2HB GLU 5 -15.673 -0.160 6.801
39 HG2 GLU 5 1HG GLU 5 -16.828 0.636 8.751
40 HG3 GLU 5 2HG GLU 5 -17.220 -1.014 9.226
41 H SER 6 H SER 6 -17.471 0.440 4.393
42 HA SER 6 HA SER 6 -17.360 -1.772 2.611
43 HB2 SER 6 1HB SER 6 -16.576 1.136 2.194
44 HB3 SER 6 2HB SER 6 -16.920 -0.042 0.927
45 HG SER 6 HG SER 6 -19.028 -0.060 1.478
46 H SER 7 H SER 7 -15.619 -3.054 2.562
47 HA SER 7 HA SER 7 -13.216 -2.336 3.875
48 HB2 SER 7 1HB SER 7 -13.876 -4.785 2.242
49 HB3 SER 7 2HB SER 7 -12.558 -4.609 3.403
50 HG SER 7 HG SER 7 -13.912 -4.743 5.012
51 H GLN 8 H GLN 8 -12.871 -0.510 2.435
52 HA GLN 8 HA GLN 8 -12.033 -0.834 -0.289
53 HB2 GLN 8 1HB GLN 8 -11.815 1.412 1.686
54 HB3 GLN 8 2HB GLN 8 -11.341 1.561 -0.000
55 HG2 GLN 8 1HG GLN 8 -13.619 1.168 -0.693
56 HG3 GLN 8 2HG GLN 8 -14.114 0.863 0.971
57 HE21 GLN 8 2HE2 GLN 8 -12.466 3.107 2.039
58 HE22 GLN 8 1HE2 GLN 8 -13.324 4.525 1.569
59 H TYR 9 H TYR 9 -10.559 -2.342 1.831
60 HA TYR 9 HA TYR 9 -7.889 -1.147 1.550
61 HB2 TYR 9 1HB TYR 9 -8.668 -3.231 3.609
62 HB3 TYR 9 2HB TYR 9 -7.230 -2.269 3.512
63 HD1 TYR 9 HD2 TYR 9 -10.789 -2.201 4.392
64 HD2 TYR 9 HD1 TYR 9 -7.125 -0.054 4.377
65 HE1 TYR 9 HE2 TYR 9 -11.754 -0.570 5.945
66 HE2 TYR 9 HE1 TYR 9 -8.073 1.584 5.933
67 HH TYR 9 HH TYR 9 -11.001 1.045 7.594
68 H ILE 10 H ILE 10 -6.265 -2.489 0.819
69 HA ILE 10 HA ILE 10 -7.085 -5.121 0.058
70 HB ILE 10 HB ILE 10 -7.109 -3.580 -1.930
71 HG12 ILE 10 1HG1 ILE 10 -5.752 -4.987 -3.410
72 HG13 ILE 10 2HG1 ILE 10 -4.902 -5.641 -2.011
73 HG21 ILE 10 1HG2 ILE 10 -5.012 -2.698 -2.827
74 HG22 ILE 10 2HG2 ILE 10 -4.158 -3.291 -1.402
75 HG23 ILE 10 3HG2 ILE 10 -5.368 -2.024 -1.233
76 HD11 ILE 10 3HD1 ILE 10 -6.911 -6.587 -1.180
77 HD12 ILE 10 1HD1 ILE 10 -6.645 -7.165 -2.833
78 HD13 ILE 10 2HD1 ILE 10 -7.845 -5.890 -2.493
79 H HIS 11 H HIS 11 -5.259 -6.540 -0.005
80 HA HIS 11 HA HIS 11 -3.325 -6.029 2.019
81 HB2 HIS 11 1HB HIS 11 -4.248 -8.294 1.472
82 HB3 HIS 11 2HB HIS 11 -3.415 -8.225 -0.070
83 HD1 HIS 11 HD1 HIS 11 -2.842 -8.691 3.581
84 HD2 HIS 11 HD2 HIS 11 -0.660 -8.802 0.057
85 HE1 HIS 11 HE1 HIS 11 -0.701 -9.853 4.161
86 HE2 HIS 11 HE2 HIS 11 0.442 -10.163 1.947
87 H CYS 12 H CYS 12 -1.592 -4.774 1.678
88 HA CYS 12 HA CYS 12 -0.650 -4.046 -0.884
89 HB2 CYS 12 1HB CYS 12 -0.271 -2.601 1.070
90 HB3 CYS 12 2HB CYS 12 0.606 -3.901 1.867
91 H GLU 13 H GLU 13 0.708 -5.077 -2.043
92 HA GLU 13 HA GLU 13 1.498 -7.769 -1.297
93 HB2 GLU 13 1HB GLU 13 1.835 -6.251 -3.896
94 HB3 GLU 13 2HB GLU 13 2.303 -7.920 -3.651
95 HG2 GLU 13 1HG GLU 13 -0.506 -6.887 -3.370
96 HG3 GLU 13 2HG GLU 13 0.146 -7.636 -4.828
97 H ASN 14 H ASN 14 2.717 -4.779 -0.977
98 HA ASN 14 HA ASN 14 5.475 -5.550 -1.478
99 HB2 ASN 14 1HB ASN 14 4.262 -3.172 -1.950
100 HB3 ASN 14 2HB ASN 14 4.857 -2.877 -0.354
101 HD21 ASN 14 2HD2 ASN 14 5.952 -3.647 -3.538
102 HD22 ASN 14 1HD2 ASN 14 7.607 -3.233 -3.306
103 H CYS 15 H CYS 15 3.692 -4.066 1.277
104 HA CYS 15 HA CYS 15 5.738 -5.292 2.990
105 HB2 CYS 15 1HB CYS 15 5.001 -3.777 4.794
106 HB3 CYS 15 2HB CYS 15 5.530 -2.893 3.364
107 H GLY 16 H GLY 16 2.872 -6.176 1.852
108 HA2 GLY 16 1HA GLY 16 1.376 -7.804 2.497
109 HA3 GLY 16 2HA GLY 16 2.470 -8.152 3.831
110 H ARG 17 H ARG 17 0.757 -5.180 3.130
111 HA ARG 17 HA ARG 17 -0.520 -5.462 5.757
112 HB2 ARG 17 1HB ARG 17 1.316 -4.053 6.157
113 HB3 ARG 17 2HB ARG 17 1.040 -3.112 4.711
114 HG2 ARG 17 1HG ARG 17 -0.759 -1.979 5.702
115 HG3 ARG 17 2HG ARG 17 -0.840 -3.113 7.050
116 HD2 ARG 17 1HD ARG 17 0.242 -0.919 7.611
117 HD3 ARG 17 2HD ARG 17 1.247 -2.328 7.926
118 HE ARG 17 HE ARG 17 2.064 -1.596 5.479
119 HH11 ARG 17 1HH1 ARG 17 1.591 0.313 8.423
120 HH12 ARG 17 2HH1 ARG 17 2.907 1.350 8.131
121 HH21 ARG 17 1HH2 ARG 17 3.971 -0.129 5.123
122 HH22 ARG 17 2HH2 ARG 17 4.253 1.081 6.279
123 H ASP 18 H ASP 18 -2.596 -4.676 6.054
124 HA ASP 18 HA ASP 18 -4.251 -4.497 3.702
125 HB2 ASP 18 1HB ASP 18 -4.872 -5.730 5.811
126 HB3 ASP 18 2HB ASP 18 -4.781 -4.109 6.559
127 H VAL 19 H VAL 19 -4.092 -2.645 2.767
128 HA VAL 19 HA VAL 19 -4.498 -0.148 4.311
129 HB VAL 19 HB VAL 19 -2.547 -0.465 2.005
130 HG11 VAL 19 1HG1 VAL 19 -3.473 1.793 2.144
131 HG12 VAL 19 2HG1 VAL 19 -1.769 1.774 2.595
132 HG13 VAL 19 3HG1 VAL 19 -3.010 1.879 3.847
133 HG21 VAL 19 3HG2 VAL 19 -1.975 -0.123 4.931
134 HG22 VAL 19 1HG2 VAL 19 -0.767 -0.313 3.648
135 HG23 VAL 19 2HG2 VAL 19 -1.903 -1.632 4.074
136 H SER 20 H SER 20 -5.632 1.497 3.219
137 HA SER 20 HA SER 20 -7.705 0.854 1.563
138 HB2 SER 20 1HB SER 20 -6.284 3.491 1.858
139 HB3 SER 20 2HB SER 20 -7.880 3.279 1.134
140 HG SER 20 HG SER 20 -7.143 3.352 3.749
141 H ALA 21 H ALA 21 -7.853 0.244 -0.380
142 HA ALA 21 HA ALA 21 -5.788 -0.120 -2.230
143 HB1 ALA 21 3HB ALA 21 -8.754 0.017 -2.689
144 HB2 ALA 21 1HB ALA 21 -7.863 -1.418 -2.181
145 HB3 ALA 21 2HB ALA 21 -7.570 -0.721 -3.776
146 H ASN 22 H ASN 22 -8.137 2.387 -1.810
147 HA ASN 22 HA ASN 22 -7.830 3.825 -4.202
148 HB2 ASN 22 1HB ASN 22 -9.654 4.170 -2.588
149 HB3 ASN 22 2HB ASN 22 -8.505 4.846 -1.443
150 HD21 ASN 22 2HD2 ASN 22 -10.248 5.386 -4.358
151 HD22 ASN 22 1HD2 ASN 22 -9.982 7.078 -4.488
152 H ARG 23 H ARG 23 -5.815 3.611 -1.375
153 HA ARG 23 HA ARG 23 -4.253 5.936 -2.220
154 HB2 ARG 23 1HB ARG 23 -5.492 5.278 0.217
155 HB3 ARG 23 2HB ARG 23 -3.762 5.092 0.459
156 HG2 ARG 23 1HG ARG 23 -4.435 7.296 1.042
157 HG3 ARG 23 2HG ARG 23 -3.423 7.335 -0.413
158 HD2 ARG 23 1HD ARG 23 -5.457 7.514 -1.794
159 HD3 ARG 23 2HD ARG 23 -6.435 7.499 -0.332
160 HE ARG 23 HE ARG 23 -4.509 9.500 -0.172
161 HH11 ARG 23 1HH1 ARG 23 -7.543 8.745 -1.890
162 HH12 ARG 23 2HH1 ARG 23 -7.994 10.373 -2.076
163 HH21 ARG 23 1HH2 ARG 23 -5.135 11.753 -0.495
164 HH22 ARG 23 2HH2 ARG 23 -6.606 12.109 -1.287
165 H LEU 24 H LEU 24 -4.124 2.869 -2.844
166 HA LEU 24 HA LEU 24 -1.901 1.895 -1.379
167 HB2 LEU 24 1HB LEU 24 -3.720 0.604 -2.768
168 HB3 LEU 24 2HB LEU 24 -2.606 0.820 -4.093
169 HG LEU 24 HG LEU 24 -2.419 -1.392 -3.121
170 HD11 LEU 24 1HD1 LEU 24 0.068 -1.503 -2.629
171 HD12 LEU 24 2HD1 LEU 24 0.055 0.248 -2.631
172 HD13 LEU 24 3HD1 LEU 24 -0.368 -0.625 -4.086
173 HD21 LEU 24 3HD2 LEU 24 -3.126 -0.924 -0.861
174 HD22 LEU 24 1HD2 LEU 24 -1.635 -0.041 -0.544
175 HD23 LEU 24 2HD2 LEU 24 -1.583 -1.775 -0.847
176 H ALA 25 H ALA 25 -2.229 3.499 -4.431
177 HA ALA 25 HA ALA 25 0.437 3.272 -5.300
178 HB1 ALA 25 3HB ALA 25 -0.002 5.148 -6.795
179 HB2 ALA 25 1HB ALA 25 -1.453 5.558 -5.887
180 HB3 ALA 25 2HB ALA 25 -1.369 4.044 -6.782
181 H ALA 26 H ALA 26 -1.102 5.869 -3.413
182 HA ALA 26 HA ALA 26 1.238 7.448 -3.094
183 HB1 ALA 26 3HB ALA 26 -1.207 7.243 -1.317
184 HB2 ALA 26 1HB ALA 26 -1.012 8.345 -2.680
185 HB3 ALA 26 2HB ALA 26 -0.002 8.526 -1.244
186 H HIS 27 H HIS 27 -0.294 4.958 -1.226
187 HA HIS 27 HA HIS 27 1.475 4.834 0.955
188 HB2 HIS 27 1HB HIS 27 -0.679 3.664 1.098
189 HB3 HIS 27 2HB HIS 27 -0.294 2.745 -0.327
190 HD1 HIS 27 HD1 HIS 27 0.804 2.939 3.305
191 HD2 HIS 27 HD2 HIS 27 1.103 0.494 -0.016
192 HE1 HIS 27 HE1 HIS 27 2.054 0.901 4.090
193 H LEU 28 H LEU 28 1.530 3.205 -2.201
194 HA LEU 28 HA LEU 28 3.751 1.663 -1.504
195 HB2 LEU 28 1HB LEU 28 2.063 1.832 -3.756
196 HB3 LEU 28 2HB LEU 28 3.717 2.122 -4.295
197 HG LEU 28 HG LEU 28 2.905 -0.304 -4.386
198 HD11 LEU 28 1HD1 LEU 28 5.091 -1.152 -3.700
199 HD12 LEU 28 2HD1 LEU 28 5.421 0.359 -2.851
200 HD13 LEU 28 3HD1 LEU 28 5.260 0.354 -4.606
201 HD21 LEU 28 3HD2 LEU 28 3.574 -0.252 -1.452
202 HD22 LEU 28 1HD2 LEU 28 2.894 -1.566 -2.384
203 HD23 LEU 28 2HD2 LEU 28 1.923 -0.126 -2.013
204 H GLN 29 H GLN 29 3.428 4.826 -2.851
205 HA GLN 29 HA GLN 29 6.193 5.011 -3.438
206 HB2 GLN 29 1HB GLN 29 4.214 7.221 -2.860
207 HB3 GLN 29 2HB GLN 29 5.865 7.493 -3.401
208 HG2 GLN 29 1HG GLN 29 3.659 6.113 -4.919
209 HG3 GLN 29 2HG GLN 29 4.407 7.664 -5.294
210 HE21 GLN 29 2HE2 GLN 29 4.713 4.226 -5.496
211 HE22 GLN 29 1HE2 GLN 29 6.127 4.191 -6.479
212 H ARG 30 H ARG 30 4.299 5.594 -0.566
213 HA ARG 30 HA ARG 30 6.426 6.581 1.057
214 HB2 ARG 30 1HB ARG 30 3.833 5.193 1.706
215 HB3 ARG 30 2HB ARG 30 4.821 5.924 2.936
216 HG2 ARG 30 1HG ARG 30 4.478 8.118 1.846
217 HG3 ARG 30 2HG ARG 30 3.451 7.327 0.646
218 HD2 ARG 30 1HD ARG 30 1.978 6.553 2.468
219 HD3 ARG 30 2HD ARG 30 2.980 7.442 3.616
220 HE ARG 30 HE ARG 30 2.010 9.085 1.494
221 HH11 ARG 30 1HH1 ARG 30 1.137 7.726 4.656
222 HH12 ARG 30 2HH1 ARG 30 -0.056 8.894 4.977
223 HH21 ARG 30 1HH2 ARG 30 0.398 10.667 1.938
224 HH22 ARG 30 2HH2 ARG 30 -0.484 10.627 3.406
225 H CYS 31 H CYS 31 4.940 3.474 0.531
226 HA CYS 31 HA CYS 31 6.192 1.879 2.370
227 HB2 CYS 31 1HB CYS 31 4.129 1.388 0.991
228 HB3 CYS 31 2HB CYS 31 5.199 1.105 -0.363
229 H LEU 32 H LEU 32 7.030 2.658 -0.981
230 HA LEU 32 HA LEU 32 9.241 0.838 -1.013
231 HB2 LEU 32 1HB LEU 32 7.540 1.839 -2.938
232 HB3 LEU 32 2HB LEU 32 8.985 2.789 -3.191
233 HG LEU 32 HG LEU 32 8.926 0.864 -4.677
234 HD11 LEU 32 1HD1 LEU 32 11.109 1.645 -3.977
235 HD12 LEU 32 2HD1 LEU 32 11.113 -0.109 -4.187
236 HD13 LEU 32 3HD1 LEU 32 11.059 0.587 -2.568
237 HD21 LEU 32 3HD2 LEU 32 9.044 -1.418 -3.831
238 HD22 LEU 32 1HD2 LEU 32 7.572 -0.637 -3.273
239 HD23 LEU 32 2HD2 LEU 32 8.923 -0.841 -2.173
240 H SER 33 H SER 33 8.777 4.390 -0.952
241 HA SER 33 HA SER 33 11.554 4.885 -1.201
242 HB2 SER 33 1HB SER 33 9.841 6.505 -1.929
243 HB3 SER 33 2HB SER 33 9.343 6.723 -0.255
244 HG SER 33 HG SER 33 11.826 7.418 -1.449
245 H ARG 34 H ARG 34 9.408 4.474 1.586
246 HA ARG 34 HA ARG 34 11.562 5.199 3.408
247 HB2 ARG 34 1HB ARG 34 8.716 4.329 3.952
248 HB3 ARG 34 2HB ARG 34 9.870 4.796 5.194
249 HG2 ARG 34 1HG ARG 34 9.994 7.027 4.288
250 HG3 ARG 34 2HG ARG 34 8.919 6.574 2.961
251 HD2 ARG 34 1HD ARG 34 7.155 6.099 4.604
252 HD3 ARG 34 2HD ARG 34 8.242 6.623 5.896
253 HE ARG 34 HE ARG 34 8.297 8.744 4.357
254 HH11 ARG 34 1HH1 ARG 34 5.487 6.825 5.392
255 HH12 ARG 34 2HH1 ARG 34 4.414 8.137 5.369
256 HH21 ARG 34 1HH2 ARG 34 6.802 10.540 4.265
257 HH22 ARG 34 2HH2 ARG 34 5.175 10.321 4.702
258 H GLY 35 H GLY 35 10.697 2.571 1.705
259 HA2 GLY 35 1HA GLY 35 11.813 0.724 3.707
260 HA3 GLY 35 2HA GLY 35 10.713 0.253 2.412
261 H ALA 36 H ALA 36 12.932 2.620 1.607
262 HA ALA 36 HA ALA 36 14.256 0.784 -0.193
263 HB1 ALA 36 3HB ALA 36 13.371 2.889 -1.093
264 HB2 ALA 36 1HB ALA 36 15.120 2.787 -1.284
265 HB3 ALA 36 2HB ALA 36 14.429 3.791 -0.008
266 H ARG 37 H ARG 37 15.970 -0.161 0.477
267 HA ARG 37 HA ARG 37 17.719 1.089 2.446
268 HB2 ARG 37 1HB ARG 37 17.818 -1.662 1.162
269 HB3 ARG 37 2HB ARG 37 18.850 -1.105 2.466
270 HG2 ARG 37 1HG ARG 37 16.978 -0.918 3.955
271 HG3 ARG 37 2HG ARG 37 15.855 -1.308 2.659
272 HD2 ARG 37 1HD ARG 37 16.217 -3.232 4.079
273 HD3 ARG 37 2HD ARG 37 16.868 -3.529 2.471
274 HE ARG 37 HE ARG 37 19.080 -2.947 3.491
275 HH11 ARG 37 1HH1 ARG 37 16.454 -4.238 5.533
276 HH12 ARG 37 2HH1 ARG 37 17.498 -5.007 6.623
277 HH21 ARG 37 1HH2 ARG 37 20.499 -4.063 4.996
278 HH22 ARG 37 2HH2 ARG 37 19.860 -4.910 6.314
279 H ARG 38 H ARG 38 18.049 -0.642 -0.612
280 HA ARG 38 HA ARG 38 19.242 1.310 -2.123
281 HB2 ARG 38 1HB ARG 38 21.236 1.039 -0.631
282 HB3 ARG 38 2HB ARG 38 21.245 -0.679 -0.986
283 HG2 ARG 38 1HG ARG 38 21.719 -0.231 -3.323
284 HG3 ARG 38 2HG ARG 38 21.642 1.503 -3.024
285 HD2 ARG 38 1HD ARG 38 23.552 1.330 -1.509
286 HD3 ARG 38 2HD ARG 38 23.610 -0.410 -1.777
287 HE ARG 38 HE ARG 38 23.819 0.497 -4.254
288 HH11 ARG 38 1HH1 ARG 38 25.502 1.601 -1.343
289 HH12 ARG 38 2HH1 ARG 38 26.960 1.960 -2.140
290 HH21 ARG 38 1HH2 ARG 38 25.831 1.004 -5.350
291 HH22 ARG 38 2HH2 ARG 38 27.153 1.606 -4.449
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -18.571 -12.350 -0.768
2 H2 GLY 1 2H GLY 1 -19.200 -11.479 0.540
3 H3 GLY 1 3H GLY 1 -17.712 -11.058 -0.116
4 HA2 GLY 1 1HA GLY 1 -18.702 -10.374 -2.146
5 HA3 GLY 1 2HA GLY 1 -20.281 -10.858 -1.536
6 H LYS 2 H LYS 2 -19.930 -8.286 -2.337
7 HA LYS 2 HA LYS 2 -19.201 -6.713 -0.012
8 HB2 LYS 2 1HB LYS 2 -19.970 -5.856 -2.796
9 HB3 LYS 2 2HB LYS 2 -19.462 -4.795 -1.491
10 HG2 LYS 2 1HG LYS 2 -17.246 -5.836 -1.495
11 HG3 LYS 2 2HG LYS 2 -17.764 -6.938 -2.773
12 HD2 LYS 2 1HD LYS 2 -16.475 -5.060 -3.693
13 HD3 LYS 2 2HD LYS 2 -18.142 -5.031 -4.268
14 HE2 LYS 2 1HE LYS 2 -18.691 -3.360 -2.551
15 HE3 LYS 2 2HE LYS 2 -17.017 -3.384 -2.008
16 HZ1 LYS 2 3HZ LYS 2 -17.958 -2.551 -4.692
17 HZ2 LYS 2 1HZ LYS 2 -16.363 -2.481 -4.147
18 HZ3 LYS 2 2HZ LYS 2 -17.567 -1.530 -3.412
19 H GLN 3 H GLN 3 -20.835 -6.789 1.410
20 HA GLN 3 HA GLN 3 -23.463 -5.893 0.456
21 HB2 GLN 3 1HB GLN 3 -22.711 -7.429 2.949
22 HB3 GLN 3 2HB GLN 3 -24.311 -6.755 2.679
23 HG2 GLN 3 1HG GLN 3 -22.983 -8.721 0.834
24 HG3 GLN 3 2HG GLN 3 -24.109 -9.174 2.114
25 HE21 GLN 3 2HE2 GLN 3 -23.772 -7.569 -0.991
26 HE22 GLN 3 1HE2 GLN 3 -25.450 -7.547 -1.364
27 H GLN 4 H GLN 4 -20.997 -5.398 2.879
28 HA GLN 4 HA GLN 4 -22.098 -2.750 3.441
29 HB2 GLN 4 1HB GLN 4 -19.988 -4.368 4.918
30 HB3 GLN 4 2HB GLN 4 -20.385 -2.704 5.301
31 HG2 GLN 4 1HG GLN 4 -21.459 -4.097 6.889
32 HG3 GLN 4 2HG GLN 4 -22.704 -3.461 5.818
33 HE21 GLN 4 2HE2 GLN 4 -24.128 -5.070 6.234
34 HE22 GLN 4 1HE2 GLN 4 -23.913 -6.686 5.688
35 H GLU 5 H GLU 5 -20.863 -0.981 2.896
36 HA GLU 5 HA GLU 5 -18.679 -1.690 1.136
37 HB2 GLU 5 1HB GLU 5 -20.461 -0.254 0.203
38 HB3 GLU 5 2HB GLU 5 -20.039 0.986 1.374
39 HG2 GLU 5 1HG GLU 5 -19.064 1.439 -0.818
40 HG3 GLU 5 2HG GLU 5 -17.824 1.196 0.412
41 H SER 6 H SER 6 -17.102 -2.098 2.437
42 HA SER 6 HA SER 6 -15.641 0.208 3.377
43 HB2 SER 6 1HB SER 6 -17.011 -0.801 5.327
44 HB3 SER 6 2HB SER 6 -15.994 -2.230 5.151
45 HG SER 6 HG SER 6 -15.096 0.409 5.706
46 H SER 7 H SER 7 -15.701 -1.606 1.165
47 HA SER 7 HA SER 7 -13.686 -3.673 1.435
48 HB2 SER 7 1HB SER 7 -14.813 -2.734 -1.142
49 HB3 SER 7 2HB SER 7 -14.583 -4.388 -0.563
50 HG SER 7 HG SER 7 -16.667 -2.594 -0.196
51 H GLN 8 H GLN 8 -12.887 -0.980 1.909
52 HA GLN 8 HA GLN 8 -11.717 0.069 -0.528
53 HB2 GLN 8 1HB GLN 8 -11.888 1.230 2.236
54 HB3 GLN 8 2HB GLN 8 -11.252 2.027 0.798
55 HG2 GLN 8 1HG GLN 8 -13.423 1.949 -0.249
56 HG3 GLN 8 2HG GLN 8 -14.079 1.050 1.117
57 HE21 GLN 8 2HE2 GLN 8 -12.970 4.101 -0.011
58 HE22 GLN 8 1HE2 GLN 8 -13.594 5.053 1.281
59 H TYR 9 H TYR 9 -10.623 -2.297 1.188
60 HA TYR 9 HA TYR 9 -7.921 -1.168 1.346
61 HB2 TYR 9 1HB TYR 9 -8.839 -3.365 3.279
62 HB3 TYR 9 2HB TYR 9 -7.353 -2.509 3.194
63 HD1 TYR 9 HD2 TYR 9 -10.936 -1.909 3.923
64 HD2 TYR 9 HD1 TYR 9 -6.925 -0.578 4.371
65 HE1 TYR 9 HE2 TYR 9 -11.679 -0.244 5.560
66 HE2 TYR 9 HE1 TYR 9 -7.657 1.092 6.016
67 HH TYR 9 HH TYR 9 -10.673 0.939 7.446
68 H ILE 10 H ILE 10 -6.272 -2.569 0.749
69 HA ILE 10 HA ILE 10 -7.062 -5.082 -0.343
70 HB ILE 10 HB ILE 10 -7.007 -3.403 -2.195
71 HG12 ILE 10 1HG1 ILE 10 -5.509 -4.612 -3.704
72 HG13 ILE 10 2HG1 ILE 10 -4.716 -5.364 -2.318
73 HG21 ILE 10 1HG2 ILE 10 -4.912 -2.365 -2.888
74 HG22 ILE 10 2HG2 ILE 10 -4.118 -3.031 -1.461
75 HG23 ILE 10 3HG2 ILE 10 -5.406 -1.841 -1.275
76 HD11 ILE 10 3HD1 ILE 10 -7.610 -5.653 -3.012
77 HD12 ILE 10 1HD1 ILE 10 -6.746 -6.428 -1.696
78 HD13 ILE 10 2HD1 ILE 10 -6.346 -6.862 -3.369
79 H HIS 11 H HIS 11 -5.209 -6.521 -0.399
80 HA HIS 11 HA HIS 11 -3.434 -6.022 1.810
81 HB2 HIS 11 1HB HIS 11 -4.509 -8.285 1.240
82 HB3 HIS 11 2HB HIS 11 -3.351 -8.373 -0.080
83 HD1 HIS 11 HD1 HIS 11 -0.914 -9.052 0.521
84 HD2 HIS 11 HD2 HIS 11 -3.373 -8.502 3.834
85 HE1 HIS 11 HE1 HIS 11 0.331 -10.001 2.445
86 HE2 HIS 11 HE2 HIS 11 -1.319 -9.974 4.324
87 H CYS 12 H CYS 12 -1.671 -4.830 1.503
88 HA CYS 12 HA CYS 12 -0.488 -4.329 -1.009
89 HB2 CYS 12 1HB CYS 12 -0.385 -2.773 0.978
90 HB3 CYS 12 2HB CYS 12 0.617 -4.013 1.760
91 H GLU 13 H GLU 13 1.111 -5.390 -1.858
92 HA GLU 13 HA GLU 13 2.002 -7.870 -0.614
93 HB2 GLU 13 1HB GLU 13 3.021 -8.344 -2.826
94 HB3 GLU 13 2HB GLU 13 1.297 -8.018 -2.929
95 HG2 GLU 13 1HG GLU 13 1.723 -5.776 -3.711
96 HG3 GLU 13 2HG GLU 13 3.457 -6.005 -3.498
97 H ASN 14 H ASN 14 2.838 -4.732 -0.886
98 HA ASN 14 HA ASN 14 5.678 -5.125 -1.121
99 HB2 ASN 14 1HB ASN 14 3.953 -2.646 -1.155
100 HB3 ASN 14 2HB ASN 14 5.742 -2.559 -1.177
101 HD21 ASN 14 2HD2 ASN 14 6.765 -3.404 -3.078
102 HD22 ASN 14 1HD2 ASN 14 5.862 -3.611 -4.535
103 H CYS 15 H CYS 15 3.443 -4.750 1.354
104 HA CYS 15 HA CYS 15 5.655 -5.117 3.198
105 HB2 CYS 15 1HB CYS 15 4.668 -3.559 4.913
106 HB3 CYS 15 2HB CYS 15 5.306 -2.721 3.491
107 H GLY 16 H GLY 16 2.938 -6.328 2.031
108 HA2 GLY 16 1HA GLY 16 1.433 -7.878 2.693
109 HA3 GLY 16 2HA GLY 16 2.510 -8.156 4.058
110 H ARG 17 H ARG 17 0.779 -5.213 3.273
111 HA ARG 17 HA ARG 17 -0.551 -5.490 5.885
112 HB2 ARG 17 1HB ARG 17 1.288 -3.938 5.956
113 HB3 ARG 17 2HB ARG 17 0.664 -2.996 4.630
114 HG2 ARG 17 1HG ARG 17 0.156 -1.786 6.551
115 HG3 ARG 17 2HG ARG 17 -1.353 -2.626 6.150
116 HD2 ARG 17 1HD ARG 17 -0.885 -2.748 8.560
117 HD3 ARG 17 2HD ARG 17 -0.845 -4.346 7.813
118 HE ARG 17 HE ARG 17 1.748 -3.399 7.773
119 HH11 ARG 17 1HH1 ARG 17 -0.612 -4.289 10.270
120 HH12 ARG 17 2HH1 ARG 17 0.578 -4.631 11.430
121 HH21 ARG 17 1HH2 ARG 17 3.335 -3.861 9.362
122 HH22 ARG 17 2HH2 ARG 17 2.886 -4.412 10.907
123 H ASP 18 H ASP 18 -2.672 -4.671 6.016
124 HA ASP 18 HA ASP 18 -4.203 -4.592 3.558
125 HB2 ASP 18 1HB ASP 18 -4.998 -5.803 5.598
126 HB3 ASP 18 2HB ASP 18 -4.892 -4.190 6.391
127 H VAL 19 H VAL 19 -4.083 -2.763 2.627
128 HA VAL 19 HA VAL 19 -4.330 -0.272 4.195
129 HB VAL 19 HB VAL 19 -2.455 -0.704 1.839
130 HG11 VAL 19 1HG1 VAL 19 -2.790 1.710 3.627
131 HG12 VAL 19 2HG1 VAL 19 -3.319 1.603 1.951
132 HG13 VAL 19 3HG1 VAL 19 -1.599 1.531 2.340
133 HG21 VAL 19 3HG2 VAL 19 -1.910 -1.800 4.008
134 HG22 VAL 19 1HG2 VAL 19 -1.778 -0.221 4.728
135 HG23 VAL 19 2HG2 VAL 19 -0.647 -0.683 3.431
136 H SER 20 H SER 20 -5.408 1.458 3.135
137 HA SER 20 HA SER 20 -7.622 0.812 1.714
138 HB2 SER 20 1HB SER 20 -6.227 3.474 1.675
139 HB3 SER 20 2HB SER 20 -7.957 3.147 1.570
140 HG SER 20 HG SER 20 -7.902 3.424 3.634
141 H ALA 21 H ALA 21 -8.026 0.452 -0.301
142 HA ALA 21 HA ALA 21 -6.110 -0.075 -2.262
143 HB1 ALA 21 3HB ALA 21 -9.065 0.412 -2.513
144 HB2 ALA 21 1HB ALA 21 -8.282 -1.137 -2.233
145 HB3 ALA 21 2HB ALA 21 -8.053 -0.307 -3.777
146 H ASN 22 H ASN 22 -8.301 2.644 -1.895
147 HA ASN 22 HA ASN 22 -7.544 4.141 -4.161
148 HB2 ASN 22 1HB ASN 22 -9.550 4.617 -2.791
149 HB3 ASN 22 2HB ASN 22 -8.515 5.150 -1.474
150 HD21 ASN 22 2HD2 ASN 22 -9.293 7.215 -1.412
151 HD22 ASN 22 1HD2 ASN 22 -9.040 8.368 -2.657
152 H ARG 23 H ARG 23 -5.974 3.662 -1.135
153 HA ARG 23 HA ARG 23 -4.267 6.019 -1.479
154 HB2 ARG 23 1HB ARG 23 -4.572 4.143 0.852
155 HB3 ARG 23 2HB ARG 23 -3.545 5.548 0.848
156 HG2 ARG 23 1HG ARG 23 -6.551 5.562 0.586
157 HG3 ARG 23 2HG ARG 23 -5.631 5.986 2.029
158 HD2 ARG 23 1HD ARG 23 -4.631 7.860 0.872
159 HD3 ARG 23 2HD ARG 23 -5.461 7.416 -0.618
160 HE ARG 23 HE ARG 23 -7.382 7.733 1.352
161 HH11 ARG 23 1HH1 ARG 23 -5.052 9.716 -0.369
162 HH12 ARG 23 2HH1 ARG 23 -5.957 11.148 -0.274
163 HH21 ARG 23 1HH2 ARG 23 -8.631 9.646 1.517
164 HH22 ARG 23 2HH2 ARG 23 -8.085 11.100 0.802
165 H LEU 24 H LEU 24 -4.261 2.804 -2.322
166 HA LEU 24 HA LEU 24 -1.846 1.856 -1.323
167 HB2 LEU 24 1HB LEU 24 -3.820 0.649 -2.574
168 HB3 LEU 24 2HB LEU 24 -2.832 0.923 -3.988
169 HG LEU 24 HG LEU 24 -2.591 -1.336 -3.092
170 HD11 LEU 24 1HD1 LEU 24 -0.671 -0.633 -4.302
171 HD12 LEU 24 2HD1 LEU 24 -0.035 -1.400 -2.828
172 HD13 LEU 24 3HD1 LEU 24 -0.122 0.340 -2.957
173 HD21 LEU 24 3HD2 LEU 24 -1.470 -1.772 -0.965
174 HD22 LEU 24 1HD2 LEU 24 -2.981 -0.898 -0.738
175 HD23 LEU 24 2HD2 LEU 24 -1.440 -0.045 -0.618
176 H ALA 25 H ALA 25 -2.487 3.582 -4.302
177 HA ALA 25 HA ALA 25 0.015 3.488 -5.507
178 HB1 ALA 25 3HB ALA 25 -0.573 5.585 -6.615
179 HB2 ALA 25 1HB ALA 25 -1.869 5.844 -5.450
180 HB3 ALA 25 2HB ALA 25 -1.955 4.489 -6.576
181 H ALA 26 H ALA 26 -1.131 6.092 -3.347
182 HA ALA 26 HA ALA 26 1.391 7.402 -3.182
183 HB1 ALA 26 3HB ALA 26 -0.993 7.587 -1.335
184 HB2 ALA 26 1HB ALA 26 -0.730 8.573 -2.772
185 HB3 ALA 26 2HB ALA 26 0.350 8.724 -1.385
186 H HIS 27 H HIS 27 -0.318 5.077 -1.262
187 HA HIS 27 HA HIS 27 1.382 4.850 0.926
188 HB2 HIS 27 1HB HIS 27 -0.735 3.641 1.018
189 HB3 HIS 27 2HB HIS 27 -0.335 2.799 -0.462
190 HD1 HIS 27 HD1 HIS 27 0.683 2.798 3.219
191 HD2 HIS 27 HD2 HIS 27 1.089 0.530 -0.223
192 HE1 HIS 27 HE1 HIS 27 1.913 0.761 3.909
193 H LEU 28 H LEU 28 1.468 3.292 -2.248
194 HA LEU 28 HA LEU 28 3.664 1.678 -1.634
195 HB2 LEU 28 1HB LEU 28 1.929 1.976 -3.820
196 HB3 LEU 28 2HB LEU 28 3.557 2.304 -4.405
197 HG LEU 28 HG LEU 28 2.793 -0.089 -4.632
198 HD11 LEU 28 1HD1 LEU 28 5.281 0.465 -3.003
199 HD12 LEU 28 2HD1 LEU 28 5.158 0.551 -4.761
200 HD13 LEU 28 3HD1 LEU 28 4.965 -0.994 -3.939
201 HD21 LEU 28 3HD2 LEU 28 2.722 -1.487 -2.715
202 HD22 LEU 28 1HD2 LEU 28 1.713 -0.105 -2.340
203 HD23 LEU 28 2HD2 LEU 28 3.330 -0.227 -1.655
204 H GLN 29 H GLN 29 3.339 4.859 -2.963
205 HA GLN 29 HA GLN 29 6.043 5.209 -3.661
206 HB2 GLN 29 1HB GLN 29 4.137 7.275 -2.539
207 HB3 GLN 29 2HB GLN 29 5.652 7.630 -3.357
208 HG2 GLN 29 1HG GLN 29 3.219 6.332 -4.562
209 HG3 GLN 29 2HG GLN 29 3.794 7.969 -4.856
210 HE21 GLN 29 2HE2 GLN 29 4.220 4.628 -5.563
211 HE22 GLN 29 1HE2 GLN 29 5.392 4.801 -6.800
212 H ARG 30 H ARG 30 4.352 5.632 -0.597
213 HA ARG 30 HA ARG 30 6.633 6.487 0.901
214 HB2 ARG 30 1HB ARG 30 4.198 6.960 1.388
215 HB3 ARG 30 2HB ARG 30 4.022 5.271 1.824
216 HG2 ARG 30 1HG ARG 30 5.513 5.535 3.667
217 HG3 ARG 30 2HG ARG 30 5.896 7.190 3.182
218 HD2 ARG 30 1HD ARG 30 4.309 7.298 4.970
219 HD3 ARG 30 2HD ARG 30 3.484 7.752 3.480
220 HE ARG 30 HE ARG 30 3.302 4.985 4.279
221 HH11 ARG 30 1HH1 ARG 30 1.650 8.123 4.060
222 HH12 ARG 30 2HH1 ARG 30 0.142 7.524 4.563
223 HH21 ARG 30 1HH2 ARG 30 1.201 4.185 5.026
224 HH22 ARG 30 2HH2 ARG 30 -0.119 5.241 5.094
225 H CYS 31 H CYS 31 4.896 3.462 0.506
226 HA CYS 31 HA CYS 31 6.224 1.812 2.224
227 HB2 CYS 31 1HB CYS 31 4.088 1.377 0.916
228 HB3 CYS 31 2HB CYS 31 5.100 1.043 -0.470
229 H LEU 32 H LEU 32 6.914 2.544 -1.190
230 HA LEU 32 HA LEU 32 9.074 0.709 -1.461
231 HB2 LEU 32 1HB LEU 32 7.398 1.791 -3.217
232 HB3 LEU 32 2HB LEU 32 8.589 3.055 -3.260
233 HG LEU 32 HG LEU 32 8.882 1.569 -5.137
234 HD11 LEU 32 1HD1 LEU 32 11.210 0.917 -4.920
235 HD12 LEU 32 2HD1 LEU 32 11.120 1.165 -3.178
236 HD13 LEU 32 3HD1 LEU 32 10.915 2.531 -4.272
237 HD21 LEU 32 3HD2 LEU 32 9.240 -0.639 -3.124
238 HD22 LEU 32 1HD2 LEU 32 9.457 -0.782 -4.865
239 HD23 LEU 32 2HD2 LEU 32 7.862 -0.420 -4.206
240 H SER 33 H SER 33 8.798 4.275 -1.096
241 HA SER 33 HA SER 33 11.550 4.798 -1.255
242 HB2 SER 33 1HB SER 33 9.396 6.404 0.140
243 HB3 SER 33 2HB SER 33 11.027 6.974 -0.206
244 HG SER 33 HG SER 33 9.405 5.974 -2.271
245 H ARG 34 H ARG 34 9.559 3.823 1.468
246 HA ARG 34 HA ARG 34 11.757 4.354 3.308
247 HB2 ARG 34 1HB ARG 34 8.933 3.476 3.838
248 HB3 ARG 34 2HB ARG 34 10.132 3.818 5.077
249 HG2 ARG 34 1HG ARG 34 10.264 6.135 4.314
250 HG3 ARG 34 2HG ARG 34 9.085 5.784 3.052
251 HD2 ARG 34 1HD ARG 34 7.471 5.155 4.745
252 HD3 ARG 34 2HD ARG 34 8.627 5.587 6.019
253 HE ARG 34 HE ARG 34 7.995 7.624 4.074
254 HH11 ARG 34 1HH1 ARG 34 7.471 6.389 7.340
255 HH12 ARG 34 2HH1 ARG 34 6.536 7.694 7.851
256 HH21 ARG 34 1HH2 ARG 34 6.640 9.420 4.752
257 HH22 ARG 34 2HH2 ARG 34 6.031 9.458 6.338
258 H GLY 35 H GLY 35 10.955 1.851 1.367
259 HA2 GLY 35 1HA GLY 35 11.392 -0.343 3.178
260 HA3 GLY 35 2HA GLY 35 11.345 -0.422 1.417
261 H ALA 36 H ALA 36 13.316 0.256 4.171
262 HA ALA 36 HA ALA 36 15.708 0.103 2.460
263 HB1 ALA 36 3HB ALA 36 15.360 1.935 4.825
264 HB2 ALA 36 1HB ALA 36 15.281 2.414 3.131
265 HB3 ALA 36 2HB ALA 36 16.790 1.799 3.805
266 H ARG 37 H ARG 37 14.680 -0.051 5.873
267 HA ARG 37 HA ARG 37 17.036 -1.495 6.636
268 HB2 ARG 37 1HB ARG 37 14.454 -1.126 8.176
269 HB3 ARG 37 2HB ARG 37 15.995 -1.643 8.849
270 HG2 ARG 37 1HG ARG 37 16.982 0.499 8.313
271 HG3 ARG 37 2HG ARG 37 15.491 1.039 7.562
272 HD2 ARG 37 1HD ARG 37 14.391 0.631 9.823
273 HD3 ARG 37 2HD ARG 37 16.022 0.436 10.455
274 HE ARG 37 HE ARG 37 15.155 2.865 9.069
275 HH11 ARG 37 1HH1 ARG 37 16.762 1.337 11.847
276 HH12 ARG 37 2HH1 ARG 37 17.179 2.825 12.578
277 HH21 ARG 37 1HH2 ARG 37 15.723 4.880 10.117
278 HH22 ARG 37 2HH2 ARG 37 16.563 4.871 11.589
279 H ARG 38 H ARG 38 13.887 -2.271 5.596
280 HA ARG 38 HA ARG 38 14.630 -4.925 5.090
281 HB2 ARG 38 1HB ARG 38 12.689 -6.019 6.183
282 HB3 ARG 38 2HB ARG 38 13.738 -5.286 7.372
283 HG2 ARG 38 1HG ARG 38 11.179 -4.011 6.404
284 HG3 ARG 38 2HG ARG 38 11.264 -5.085 7.794
285 HD2 ARG 38 1HD ARG 38 12.784 -2.501 7.489
286 HD3 ARG 38 2HD ARG 38 11.297 -2.687 8.414
287 HE ARG 38 HE ARG 38 13.565 -4.374 9.097
288 HH11 ARG 38 1HH1 ARG 38 11.581 -1.574 9.945
289 HH12 ARG 38 2HH1 ARG 38 12.137 -1.480 11.547
290 HH21 ARG 38 1HH2 ARG 38 14.330 -4.265 11.245
291 HH22 ARG 38 2HH2 ARG 38 13.767 -3.087 12.335
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -12.794 -12.394 5.673
2 H2 GLY 1 2H GLY 1 -13.084 -11.052 4.715
3 H3 GLY 1 3H GLY 1 -13.897 -11.229 6.203
4 HA2 GLY 1 1HA GLY 1 -10.995 -10.834 5.832
5 HA3 GLY 1 2HA GLY 1 -12.150 -9.628 6.406
6 H LYS 2 H LYS 2 -9.764 -11.133 7.597
7 HA LYS 2 HA LYS 2 -11.069 -12.300 9.945
8 HB2 LYS 2 1HB LYS 2 -8.168 -12.280 9.102
9 HB3 LYS 2 2HB LYS 2 -8.794 -13.094 10.532
10 HG2 LYS 2 1HG LYS 2 -10.165 -14.525 9.150
11 HG3 LYS 2 2HG LYS 2 -9.621 -13.676 7.710
12 HD2 LYS 2 1HD LYS 2 -7.317 -14.409 8.195
13 HD3 LYS 2 2HD LYS 2 -7.932 -15.317 9.582
14 HE2 LYS 2 1HE LYS 2 -7.658 -16.766 7.618
15 HE3 LYS 2 2HE LYS 2 -9.343 -16.643 8.112
16 HZ1 LYS 2 3HZ LYS 2 -9.688 -15.002 6.342
17 HZ2 LYS 2 1HZ LYS 2 -9.111 -16.457 5.718
18 HZ3 LYS 2 2HZ LYS 2 -8.086 -15.134 5.882
19 H GLN 3 H GLN 3 -8.943 -9.707 8.963
20 HA GLN 3 HA GLN 3 -9.380 -8.483 11.582
21 HB2 GLN 3 1HB GLN 3 -7.149 -7.983 9.574
22 HB3 GLN 3 2HB GLN 3 -7.392 -7.042 11.038
23 HG2 GLN 3 1HG GLN 3 -6.836 -10.004 10.983
24 HG3 GLN 3 2HG GLN 3 -5.619 -8.756 11.246
25 HE21 GLN 3 2HE2 GLN 3 -8.436 -10.355 12.618
26 HE22 GLN 3 1HE2 GLN 3 -8.158 -9.819 14.232
27 H GLN 4 H GLN 4 -11.267 -7.622 11.188
28 HA GLN 4 HA GLN 4 -11.740 -6.537 8.565
29 HB2 GLN 4 1HB GLN 4 -13.287 -8.203 9.346
30 HB3 GLN 4 2HB GLN 4 -13.683 -7.233 10.752
31 HG2 GLN 4 1HG GLN 4 -15.392 -7.098 9.007
32 HG3 GLN 4 2HG GLN 4 -14.656 -5.529 9.340
33 HE21 GLN 4 2HE2 GLN 4 -14.901 -8.134 7.071
34 HE22 GLN 4 1HE2 GLN 4 -14.213 -7.269 5.750
35 H GLU 5 H GLU 5 -10.886 -4.630 8.497
36 HA GLU 5 HA GLU 5 -12.622 -2.535 9.452
37 HB2 GLU 5 1HB GLU 5 -9.597 -2.356 9.723
38 HB3 GLU 5 2HB GLU 5 -10.698 -0.998 9.904
39 HG2 GLU 5 1HG GLU 5 -11.773 -2.474 11.739
40 HG3 GLU 5 2HG GLU 5 -10.227 -3.319 11.685
41 H SER 6 H SER 6 -12.151 -4.084 7.102
42 HA SER 6 HA SER 6 -10.657 -2.358 5.325
43 HB2 SER 6 1HB SER 6 -11.797 -5.103 4.837
44 HB3 SER 6 2HB SER 6 -10.550 -4.274 3.906
45 HG SER 6 HG SER 6 -9.108 -4.506 5.601
46 H SER 7 H SER 7 -12.062 -0.709 4.753
47 HA SER 7 HA SER 7 -14.719 -1.318 3.865
48 HB2 SER 7 1HB SER 7 -14.682 1.159 3.236
49 HB3 SER 7 2HB SER 7 -14.448 0.804 4.949
50 HG SER 7 HG SER 7 -12.598 1.668 4.859
51 H GLN 8 H GLN 8 -11.819 0.025 2.357
52 HA GLN 8 HA GLN 8 -12.344 -1.575 -0.032
53 HB2 GLN 8 1HB GLN 8 -13.213 0.822 -0.324
54 HB3 GLN 8 2HB GLN 8 -11.544 1.340 -0.109
55 HG2 GLN 8 1HG GLN 8 -12.134 1.331 -2.462
56 HG3 GLN 8 2HG GLN 8 -10.887 0.139 -2.124
57 HE21 GLN 8 2HE2 GLN 8 -12.764 0.340 -4.334
58 HE22 GLN 8 1HE2 GLN 8 -13.619 -1.149 -4.398
59 H TYR 9 H TYR 9 -10.685 -2.381 1.810
60 HA TYR 9 HA TYR 9 -7.994 -1.366 1.200
61 HB2 TYR 9 1HB TYR 9 -8.812 -3.165 3.536
62 HB3 TYR 9 2HB TYR 9 -7.227 -2.588 3.162
63 HD1 TYR 9 HD1 TYR 9 -10.345 -0.597 3.147
64 HD2 TYR 9 HD2 TYR 9 -6.633 -1.335 5.041
65 HE1 TYR 9 HE1 TYR 9 -10.699 1.348 4.574
66 HE2 TYR 9 HE2 TYR 9 -6.980 0.625 6.488
67 HH TYR 9 HH TYR 9 -10.016 2.152 6.687
68 H ILE 10 H ILE 10 -6.389 -2.682 0.547
69 HA ILE 10 HA ILE 10 -7.189 -5.332 -0.244
70 HB ILE 10 HB ILE 10 -7.118 -3.618 -2.154
71 HG12 ILE 10 1HG1 ILE 10 -5.831 -5.077 -3.692
72 HG13 ILE 10 2HG1 ILE 10 -5.235 -5.966 -2.291
73 HG21 ILE 10 1HG2 ILE 10 -5.254 -2.284 -1.443
74 HG22 ILE 10 2HG2 ILE 10 -4.927 -2.978 -3.032
75 HG23 ILE 10 3HG2 ILE 10 -4.167 -3.664 -1.597
76 HD11 ILE 10 3HD1 ILE 10 -7.122 -7.101 -3.327
77 HD12 ILE 10 1HD1 ILE 10 -8.097 -5.641 -3.073
78 HD13 ILE 10 2HD1 ILE 10 -7.495 -6.535 -1.685
79 H HIS 11 H HIS 11 -5.225 -6.707 -0.431
80 HA HIS 11 HA HIS 11 -3.481 -6.189 1.787
81 HB2 HIS 11 1HB HIS 11 -4.349 -8.473 1.339
82 HB3 HIS 11 2HB HIS 11 -3.500 -8.472 -0.197
83 HD1 HIS 11 HD1 HIS 11 -2.864 -8.603 3.511
84 HD2 HIS 11 HD2 HIS 11 -0.809 -9.200 -0.045
85 HE1 HIS 11 HE1 HIS 11 -0.682 -9.626 4.158
86 HE2 HIS 11 HE2 HIS 11 0.531 -10.018 1.999
87 H CYS 12 H CYS 12 -1.784 -4.901 1.550
88 HA CYS 12 HA CYS 12 -0.591 -4.335 -0.943
89 HB2 CYS 12 1HB CYS 12 -0.513 -2.734 0.999
90 HB3 CYS 12 2HB CYS 12 0.469 -3.923 1.864
91 H GLU 13 H GLU 13 1.085 -5.288 -1.768
92 HA GLU 13 HA GLU 13 1.956 -7.853 -0.593
93 HB2 GLU 13 1HB GLU 13 2.094 -6.803 -3.419
94 HB3 GLU 13 2HB GLU 13 2.741 -8.357 -2.907
95 HG2 GLU 13 1HG GLU 13 0.583 -9.171 -2.352
96 HG3 GLU 13 2HG GLU 13 -0.127 -7.575 -2.556
97 H ASN 14 H ASN 14 2.777 -4.865 -0.633
98 HA ASN 14 HA ASN 14 5.601 -5.239 -1.069
99 HB2 ASN 14 1HB ASN 14 3.840 -2.814 -0.885
100 HB3 ASN 14 2HB ASN 14 5.605 -2.650 -0.695
101 HD21 ASN 14 2HD2 ASN 14 2.946 -3.451 -2.857
102 HD22 ASN 14 1HD2 ASN 14 3.883 -3.411 -4.287
103 H CYS 15 H CYS 15 3.610 -3.782 1.558
104 HA CYS 15 HA CYS 15 5.710 -4.735 3.376
105 HB2 CYS 15 1HB CYS 15 4.525 -3.344 5.117
106 HB3 CYS 15 2HB CYS 15 5.177 -2.408 3.764
107 H GLY 16 H GLY 16 2.851 -5.843 2.162
108 HA2 GLY 16 1HA GLY 16 1.571 -7.667 2.723
109 HA3 GLY 16 2HA GLY 16 2.631 -7.907 4.107
110 H ARG 17 H ARG 17 0.699 -5.060 3.366
111 HA ARG 17 HA ARG 17 -0.750 -5.569 5.874
112 HB2 ARG 17 1HB ARG 17 0.895 -3.933 6.374
113 HB3 ARG 17 2HB ARG 17 0.501 -2.950 4.983
114 HG2 ARG 17 1HG ARG 17 -1.693 -2.489 5.983
115 HG3 ARG 17 2HG ARG 17 -1.252 -3.469 7.379
116 HD2 ARG 17 1HD ARG 17 0.519 -1.947 7.944
117 HD3 ARG 17 2HD ARG 17 0.238 -1.012 6.469
118 HE ARG 17 HE ARG 17 -2.154 -0.938 7.670
119 HH11 ARG 17 1HH1 ARG 17 1.059 -0.212 8.958
120 HH12 ARG 17 2HH1 ARG 17 0.504 0.981 10.030
121 HH21 ARG 17 1HH2 ARG 17 -2.904 0.700 9.146
122 HH22 ARG 17 2HH2 ARG 17 -1.796 1.517 10.130
123 H ASP 18 H ASP 18 -2.896 -4.692 6.061
124 HA ASP 18 HA ASP 18 -4.441 -4.695 3.629
125 HB2 ASP 18 1HB ASP 18 -5.117 -5.728 5.875
126 HB3 ASP 18 2HB ASP 18 -5.158 -4.020 6.392
127 H VAL 19 H VAL 19 -4.250 -2.877 2.600
128 HA VAL 19 HA VAL 19 -4.599 -0.323 4.053
129 HB VAL 19 HB VAL 19 -2.652 -0.792 1.765
130 HG11 VAL 19 1HG1 VAL 19 -3.033 1.663 3.482
131 HG12 VAL 19 2HG1 VAL 19 -3.549 1.499 1.806
132 HG13 VAL 19 3HG1 VAL 19 -1.830 1.462 2.209
133 HG21 VAL 19 3HG2 VAL 19 -2.088 -0.300 4.673
134 HG22 VAL 19 1HG2 VAL 19 -0.878 -0.596 3.413
135 HG23 VAL 19 2HG2 VAL 19 -2.055 -1.856 3.902
136 H SER 20 H SER 20 -5.799 1.232 2.987
137 HA SER 20 HA SER 20 -7.850 0.515 1.267
138 HB2 SER 20 1HB SER 20 -7.894 2.536 2.648
139 HB3 SER 20 2HB SER 20 -6.597 3.234 1.682
140 HG SER 20 HG SER 20 -9.254 3.144 1.221
141 H ALA 21 H ALA 21 -8.022 0.253 -0.835
142 HA ALA 21 HA ALA 21 -5.854 0.061 -2.608
143 HB1 ALA 21 3HB ALA 21 -7.567 -0.116 -4.363
144 HB2 ALA 21 1HB ALA 21 -8.772 0.485 -3.227
145 HB3 ALA 21 2HB ALA 21 -8.004 -1.083 -2.951
146 H ASN 22 H ASN 22 -7.935 2.647 -1.740
147 HA ASN 22 HA ASN 22 -7.328 4.451 -3.858
148 HB2 ASN 22 1HB ASN 22 -9.385 4.651 -2.603
149 HB3 ASN 22 2HB ASN 22 -8.500 4.845 -1.103
150 HD21 ASN 22 2HD2 ASN 22 -9.413 6.394 -4.069
151 HD22 ASN 22 1HD2 ASN 22 -9.027 8.009 -3.593
152 H ARG 23 H ARG 23 -5.830 3.596 -0.881
153 HA ARG 23 HA ARG 23 -4.197 5.987 -0.790
154 HB2 ARG 23 1HB ARG 23 -5.312 4.857 1.206
155 HB3 ARG 23 2HB ARG 23 -4.105 3.593 1.025
156 HG2 ARG 23 1HG ARG 23 -3.374 5.074 2.731
157 HG3 ARG 23 2HG ARG 23 -2.361 5.355 1.307
158 HD2 ARG 23 1HD ARG 23 -3.129 7.456 2.423
159 HD3 ARG 23 2HD ARG 23 -3.620 7.339 0.735
160 HE ARG 23 HE ARG 23 -5.523 6.337 2.665
161 HH11 ARG 23 1HH1 ARG 23 -4.535 9.224 0.897
162 HH12 ARG 23 2HH1 ARG 23 -6.104 9.888 0.831
163 HH21 ARG 23 1HH2 ARG 23 -7.653 7.243 2.565
164 HH22 ARG 23 2HH2 ARG 23 -7.913 8.740 1.804
165 H LEU 24 H LEU 24 -4.107 2.643 -1.724
166 HA LEU 24 HA LEU 24 -1.589 1.770 -1.334
167 HB2 LEU 24 1HB LEU 24 -3.712 1.018 -3.059
168 HB3 LEU 24 2HB LEU 24 -2.185 0.807 -3.888
169 HG LEU 24 HG LEU 24 -2.912 -1.215 -2.820
170 HD11 LEU 24 1HD1 LEU 24 -0.836 -1.768 -1.513
171 HD12 LEU 24 2HD1 LEU 24 -0.454 -0.065 -1.452
172 HD13 LEU 24 3HD1 LEU 24 -0.490 -0.896 -2.990
173 HD21 LEU 24 3HD2 LEU 24 -2.704 0.281 -0.226
174 HD22 LEU 24 1HD2 LEU 24 -2.978 -1.451 -0.389
175 HD23 LEU 24 2HD2 LEU 24 -4.183 -0.302 -0.982
176 H ALA 25 H ALA 25 -2.461 3.692 -4.120
177 HA ALA 25 HA ALA 25 0.027 3.538 -5.417
178 HB1 ALA 25 3HB ALA 25 -1.976 4.454 -6.500
179 HB2 ALA 25 1HB ALA 25 -0.604 5.550 -6.647
180 HB3 ALA 25 2HB ALA 25 -1.874 5.883 -5.471
181 H ALA 26 H ALA 26 -1.083 6.246 -3.351
182 HA ALA 26 HA ALA 26 1.460 7.503 -3.187
183 HB1 ALA 26 3HB ALA 26 -0.650 8.701 -2.744
184 HB2 ALA 26 1HB ALA 26 0.467 8.840 -1.387
185 HB3 ALA 26 2HB ALA 26 -0.894 7.723 -1.297
186 H HIS 27 H HIS 27 -0.225 5.162 -1.290
187 HA HIS 27 HA HIS 27 1.544 4.932 0.842
188 HB2 HIS 27 1HB HIS 27 -0.609 3.864 1.046
189 HB3 HIS 27 2HB HIS 27 -0.330 2.935 -0.412
190 HD1 HIS 27 HD1 HIS 27 0.801 3.058 3.193
191 HD2 HIS 27 HD2 HIS 27 1.040 0.621 -0.141
192 HE1 HIS 27 HE1 HIS 27 1.957 0.976 3.971
193 H LEU 28 H LEU 28 1.530 3.316 -2.340
194 HA LEU 28 HA LEU 28 3.772 1.707 -1.824
195 HB2 LEU 28 1HB LEU 28 2.186 2.366 -4.178
196 HB3 LEU 28 2HB LEU 28 3.930 2.314 -4.469
197 HG LEU 28 HG LEU 28 2.721 0.160 -4.925
198 HD11 LEU 28 1HD1 LEU 28 4.475 -1.183 -3.931
199 HD12 LEU 28 2HD1 LEU 28 4.900 0.160 -2.871
200 HD13 LEU 28 3HD1 LEU 28 5.119 0.309 -4.613
201 HD21 LEU 28 3HD2 LEU 28 2.173 -1.269 -3.023
202 HD22 LEU 28 1HD2 LEU 28 1.227 0.214 -2.973
203 HD23 LEU 28 2HD2 LEU 28 2.610 0.017 -1.906
204 H GLN 29 H GLN 29 3.398 4.950 -3.001
205 HA GLN 29 HA GLN 29 6.070 5.410 -3.674
206 HB2 GLN 29 1HB GLN 29 4.181 7.378 -2.362
207 HB3 GLN 29 2HB GLN 29 5.670 7.791 -3.192
208 HG2 GLN 29 1HG GLN 29 3.147 6.686 -4.387
209 HG3 GLN 29 2HG GLN 29 3.851 8.280 -4.646
210 HE21 GLN 29 2HE2 GLN 29 3.841 5.004 -5.542
211 HE22 GLN 29 1HE2 GLN 29 5.006 5.083 -6.800
212 H ARG 30 H ARG 30 4.409 5.650 -0.560
213 HA ARG 30 HA ARG 30 6.737 6.412 0.927
214 HB2 ARG 30 1HB ARG 30 4.322 6.775 1.555
215 HB3 ARG 30 2HB ARG 30 4.260 5.065 1.936
216 HG2 ARG 30 1HG ARG 30 6.053 5.369 3.566
217 HG3 ARG 30 2HG ARG 30 6.059 7.098 3.203
218 HD2 ARG 30 1HD ARG 30 3.778 5.498 4.261
219 HD3 ARG 30 2HD ARG 30 4.779 6.635 5.180
220 HE ARG 30 HE ARG 30 3.630 7.944 2.969
221 HH11 ARG 30 1HH1 ARG 30 2.739 6.653 6.122
222 HH12 ARG 30 2HH1 ARG 30 1.346 7.620 6.301
223 HH21 ARG 30 1HH2 ARG 30 1.752 9.288 3.201
224 HH22 ARG 30 2HH2 ARG 30 0.743 9.159 4.557
225 H CYS 31 H CYS 31 4.987 3.411 0.416
226 HA CYS 31 HA CYS 31 6.317 1.741 2.104
227 HB2 CYS 31 1HB CYS 31 4.138 1.369 0.779
228 HB3 CYS 31 2HB CYS 31 5.140 0.870 -0.563
229 H LEU 32 H LEU 32 7.002 2.499 -1.329
230 HA LEU 32 HA LEU 32 9.381 0.863 -1.279
231 HB2 LEU 32 1HB LEU 32 7.914 2.281 -3.469
232 HB3 LEU 32 2HB LEU 32 9.537 1.631 -3.733
233 HG LEU 32 HG LEU 32 6.978 0.184 -3.107
234 HD11 LEU 32 1HD1 LEU 32 7.384 -0.878 -5.249
235 HD12 LEU 32 2HD1 LEU 32 8.851 0.077 -5.449
236 HD13 LEU 32 3HD1 LEU 32 7.280 0.876 -5.407
237 HD21 LEU 32 3HD2 LEU 32 9.784 -0.940 -3.228
238 HD22 LEU 32 1HD2 LEU 32 8.304 -1.905 -3.259
239 HD23 LEU 32 2HD2 LEU 32 8.685 -0.949 -1.843
240 H SER 33 H SER 33 8.620 4.170 -0.798
241 HA SER 33 HA SER 33 11.054 5.372 -1.455
242 HB2 SER 33 1HB SER 33 8.943 6.534 -0.566
243 HB3 SER 33 2HB SER 33 9.417 5.888 1.015
244 HG SER 33 HG SER 33 10.160 8.117 -0.087
245 H ARG 34 H ARG 34 9.951 3.705 1.432
246 HA ARG 34 HA ARG 34 12.594 3.858 2.592
247 HB2 ARG 34 1HB ARG 34 10.022 2.691 3.673
248 HB3 ARG 34 2HB ARG 34 11.547 2.619 4.525
249 HG2 ARG 34 1HG ARG 34 10.350 4.450 5.507
250 HG3 ARG 34 2HG ARG 34 11.568 5.136 4.429
251 HD2 ARG 34 1HD ARG 34 10.070 5.775 2.847
252 HD3 ARG 34 2HD ARG 34 8.790 4.722 3.452
253 HE ARG 34 HE ARG 34 8.951 6.270 5.478
254 HH11 ARG 34 1HH1 ARG 34 9.566 7.507 2.176
255 HH12 ARG 34 2HH1 ARG 34 8.688 8.940 2.424
256 HH21 ARG 34 1HH2 ARG 34 7.791 8.284 5.772
257 HH22 ARG 34 2HH2 ARG 34 7.713 9.413 4.495
258 H GLY 35 H GLY 35 10.331 1.368 1.415
259 HA2 GLY 35 1HA GLY 35 10.814 -0.621 0.414
260 HA3 GLY 35 2HA GLY 35 12.529 -0.236 0.530
261 H ALA 36 H ALA 36 12.768 -2.484 1.131
262 HA ALA 36 HA ALA 36 12.382 -2.793 4.008
263 HB1 ALA 36 3HB ALA 36 11.939 -4.958 1.948
264 HB2 ALA 36 1HB ALA 36 10.681 -4.153 2.887
265 HB3 ALA 36 2HB ALA 36 11.873 -5.172 3.698
266 H ARG 37 H ARG 37 14.392 -2.621 4.726
267 HA ARG 37 HA ARG 37 16.617 -3.738 3.242
268 HB2 ARG 37 1HB ARG 37 16.799 -1.532 4.438
269 HB3 ARG 37 2HB ARG 37 16.583 -2.380 5.962
270 HG2 ARG 37 1HG ARG 37 18.637 -3.670 5.511
271 HG3 ARG 37 2HG ARG 37 18.855 -2.747 4.025
272 HD2 ARG 37 1HD ARG 37 20.262 -1.804 5.721
273 HD3 ARG 37 2HD ARG 37 18.955 -0.677 5.375
274 HE ARG 37 HE ARG 37 18.370 -2.415 7.562
275 HH11 ARG 37 1HH1 ARG 37 20.038 0.569 6.667
276 HH12 ARG 37 2HH1 ARG 37 20.050 1.246 8.212
277 HH21 ARG 37 1HH2 ARG 37 18.349 -1.499 9.756
278 HH22 ARG 37 2HH2 ARG 37 19.031 0.027 10.040
279 H ARG 38 H ARG 38 17.043 -5.827 3.499
280 HA ARG 38 HA ARG 38 16.072 -7.117 5.932
281 HB2 ARG 38 1HB ARG 38 16.793 -8.322 3.251
282 HB3 ARG 38 2HB ARG 38 16.207 -9.225 4.646
283 HG2 ARG 38 1HG ARG 38 14.108 -8.017 4.588
284 HG3 ARG 38 2HG ARG 38 14.686 -7.034 3.247
285 HD2 ARG 38 1HD ARG 38 13.213 -8.754 2.450
286 HD3 ARG 38 2HD ARG 38 14.844 -9.054 1.862
287 HE ARG 38 HE ARG 38 14.832 -10.601 3.991
288 HH11 ARG 38 1HH1 ARG 38 12.278 -10.169 1.564
289 HH12 ARG 38 2HH1 ARG 38 11.650 -11.730 1.756
290 HH21 ARG 38 1HH2 ARG 38 13.973 -12.723 4.236
291 HH22 ARG 38 2HH2 ARG 38 12.629 -13.239 3.310
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -15.672 -1.763 19.179
2 H2 GLY 1 2H GLY 1 -16.899 -0.657 19.536
3 H3 GLY 1 3H GLY 1 -15.667 -0.222 18.483
4 HA2 GLY 1 1HA GLY 1 -17.698 -2.286 17.976
5 HA3 GLY 1 2HA GLY 1 -17.627 -0.690 17.240
6 H LYS 2 H LYS 2 -17.533 -3.288 15.964
7 HA LYS 2 HA LYS 2 -14.816 -3.805 15.258
8 HB2 LYS 2 1HB LYS 2 -15.792 -5.385 13.590
9 HB3 LYS 2 2HB LYS 2 -16.316 -5.673 15.241
10 HG2 LYS 2 1HG LYS 2 -18.467 -4.671 14.760
11 HG3 LYS 2 2HG LYS 2 -17.924 -4.224 13.145
12 HD2 LYS 2 1HD LYS 2 -19.326 -6.230 13.061
13 HD3 LYS 2 2HD LYS 2 -17.674 -6.603 12.574
14 HE2 LYS 2 1HE LYS 2 -17.232 -7.495 14.825
15 HE3 LYS 2 2HE LYS 2 -18.897 -7.137 15.283
16 HZ1 LYS 2 3HZ LYS 2 -18.529 -9.443 14.655
17 HZ2 LYS 2 1HZ LYS 2 -18.089 -8.988 13.106
18 HZ3 LYS 2 2HZ LYS 2 -19.677 -8.721 13.678
19 H GLN 3 H GLN 3 -13.695 -3.143 13.532
20 HA GLN 3 HA GLN 3 -15.099 -1.627 11.459
21 HB2 GLN 3 1HB GLN 3 -13.325 0.109 11.489
22 HB3 GLN 3 2HB GLN 3 -14.337 0.101 12.924
23 HG2 GLN 3 1HG GLN 3 -12.616 -1.013 14.190
24 HG3 GLN 3 2HG GLN 3 -11.613 -1.170 12.750
25 HE21 GLN 3 2HE2 GLN 3 -12.205 1.525 11.796
26 HE22 GLN 3 1HE2 GLN 3 -11.312 2.570 12.829
27 H GLN 4 H GLN 4 -13.255 -4.184 12.013
28 HA GLN 4 HA GLN 4 -11.400 -3.669 9.847
29 HB2 GLN 4 1HB GLN 4 -11.555 -5.978 11.786
30 HB3 GLN 4 2HB GLN 4 -10.423 -5.907 10.442
31 HG2 GLN 4 1HG GLN 4 -10.555 -3.992 12.763
32 HG3 GLN 4 2HG GLN 4 -9.336 -5.239 12.500
33 HE21 GLN 4 2HE2 GLN 4 -7.827 -4.948 10.840
34 HE22 GLN 4 1HE2 GLN 4 -7.520 -3.403 10.146
35 H GLU 5 H GLU 5 -12.640 -3.656 8.129
36 HA GLU 5 HA GLU 5 -13.858 -6.182 7.437
37 HB2 GLU 5 1HB GLU 5 -15.608 -4.849 6.190
38 HB3 GLU 5 2HB GLU 5 -15.713 -4.833 7.935
39 HG2 GLU 5 1HG GLU 5 -16.234 -2.666 7.091
40 HG3 GLU 5 2HG GLU 5 -14.692 -2.586 7.937
41 H SER 6 H SER 6 -14.377 -6.086 4.936
42 HA SER 6 HA SER 6 -11.935 -5.108 3.680
43 HB2 SER 6 1HB SER 6 -11.789 -7.535 4.091
44 HB3 SER 6 2HB SER 6 -13.267 -7.773 3.154
45 HG SER 6 HG SER 6 -10.698 -7.068 2.363
46 H SER 7 H SER 7 -12.929 -3.375 2.755
47 HA SER 7 HA SER 7 -14.370 -4.127 0.359
48 HB2 SER 7 1HB SER 7 -16.099 -3.389 2.003
49 HB3 SER 7 2HB SER 7 -15.296 -1.822 2.111
50 HG SER 7 HG SER 7 -16.372 -3.001 -0.222
51 H GLN 8 H GLN 8 -12.970 -1.304 2.089
52 HA GLN 8 HA GLN 8 -11.926 -0.484 -0.494
53 HB2 GLN 8 1HB GLN 8 -12.271 1.095 2.034
54 HB3 GLN 8 2HB GLN 8 -11.453 1.677 0.596
55 HG2 GLN 8 1HG GLN 8 -13.486 1.357 -0.702
56 HG3 GLN 8 2HG GLN 8 -14.314 0.810 0.757
57 HE21 GLN 8 2HE2 GLN 8 -15.788 2.481 0.597
58 HE22 GLN 8 1HE2 GLN 8 -15.387 4.097 1.004
59 H TYR 9 H TYR 9 -10.794 -2.411 1.696
60 HA TYR 9 HA TYR 9 -8.094 -1.246 1.534
61 HB2 TYR 9 1HB TYR 9 -8.885 -3.420 3.538
62 HB3 TYR 9 2HB TYR 9 -7.435 -2.496 3.423
63 HD1 TYR 9 HD1 TYR 9 -7.257 -0.230 4.200
64 HD2 TYR 9 HD2 TYR 9 -10.885 -2.407 4.567
65 HE1 TYR 9 HE1 TYR 9 -8.072 1.409 5.842
66 HE2 TYR 9 HE2 TYR 9 -11.707 -0.775 6.201
67 HH TYR 9 HH TYR 9 -10.688 0.806 7.793
68 H ILE 10 H ILE 10 -6.448 -2.682 0.873
69 HA ILE 10 HA ILE 10 -7.236 -5.298 0.058
70 HB ILE 10 HB ILE 10 -7.404 -3.736 -1.940
71 HG12 ILE 10 1HG1 ILE 10 -6.060 -5.104 -3.469
72 HG13 ILE 10 2HG1 ILE 10 -5.172 -5.763 -2.096
73 HG21 ILE 10 1HG2 ILE 10 -5.686 -2.141 -1.325
74 HG22 ILE 10 2HG2 ILE 10 -5.375 -2.804 -2.928
75 HG23 ILE 10 3HG2 ILE 10 -4.440 -3.368 -1.543
76 HD11 ILE 10 3HD1 ILE 10 -6.916 -7.290 -2.866
77 HD12 ILE 10 1HD1 ILE 10 -8.113 -6.020 -2.548
78 HD13 ILE 10 2HD1 ILE 10 -7.183 -6.698 -1.214
79 H HIS 11 H HIS 11 -5.217 -6.639 -0.060
80 HA HIS 11 HA HIS 11 -3.413 -5.607 1.912
81 HB2 HIS 11 1HB HIS 11 -2.484 -7.726 2.178
82 HB3 HIS 11 2HB HIS 11 -4.139 -8.101 1.764
83 HD1 HIS 11 HD1 HIS 11 -0.806 -9.093 1.036
84 HD2 HIS 11 HD2 HIS 11 -4.278 -8.784 -1.219
85 HE1 HIS 11 HE1 HIS 11 -0.408 -10.489 -1.001
86 HE2 HIS 11 HE2 HIS 11 -2.643 -10.548 -2.128
87 H CYS 12 H CYS 12 -1.629 -4.631 1.605
88 HA CYS 12 HA CYS 12 -0.595 -4.070 -0.962
89 HB2 CYS 12 1HB CYS 12 -0.314 -2.532 0.968
90 HB3 CYS 12 2HB CYS 12 0.607 -3.799 1.786
91 H GLU 13 H GLU 13 0.830 -5.178 -1.960
92 HA GLU 13 HA GLU 13 1.615 -7.788 -0.908
93 HB2 GLU 13 1HB GLU 13 1.817 -6.601 -3.675
94 HB3 GLU 13 2HB GLU 13 2.200 -8.268 -3.256
95 HG2 GLU 13 1HG GLU 13 -0.038 -8.762 -2.729
96 HG3 GLU 13 2HG GLU 13 -0.494 -7.065 -2.728
97 H ASN 14 H ASN 14 2.741 -4.827 -0.878
98 HA ASN 14 HA ASN 14 5.509 -5.436 -1.426
99 HB2 ASN 14 1HB ASN 14 3.981 -2.863 -1.000
100 HB3 ASN 14 2HB ASN 14 5.766 -2.886 -1.075
101 HD21 ASN 14 2HD2 ASN 14 6.690 -3.351 -3.087
102 HD22 ASN 14 1HD2 ASN 14 5.786 -3.285 -4.554
103 H CYS 15 H CYS 15 3.745 -3.846 1.321
104 HA CYS 15 HA CYS 15 5.829 -4.946 3.055
105 HB2 CYS 15 1HB CYS 15 4.696 -3.597 4.887
106 HB3 CYS 15 2HB CYS 15 5.391 -2.625 3.578
107 H GLY 16 H GLY 16 2.770 -5.797 1.988
108 HA2 GLY 16 1HA GLY 16 1.502 -7.648 2.548
109 HA3 GLY 16 2HA GLY 16 2.609 -7.938 3.890
110 H ARG 17 H ARG 17 0.784 -5.049 3.190
111 HA ARG 17 HA ARG 17 -0.583 -5.444 5.765
112 HB2 ARG 17 1HB ARG 17 1.163 -3.928 6.100
113 HB3 ARG 17 2HB ARG 17 0.685 -2.903 4.768
114 HG2 ARG 17 1HG ARG 17 -1.419 -2.436 5.956
115 HG3 ARG 17 2HG ARG 17 -0.874 -3.472 7.277
116 HD2 ARG 17 1HD ARG 17 0.530 -1.063 6.258
117 HD3 ARG 17 2HD ARG 17 -0.509 -1.104 7.701
118 HE ARG 17 HE ARG 17 1.877 -2.815 7.485
119 HH11 ARG 17 1HH1 ARG 17 0.110 -0.276 9.194
120 HH12 ARG 17 2HH1 ARG 17 1.142 -0.293 10.547
121 HH21 ARG 17 1HH2 ARG 17 3.255 -2.841 9.300
122 HH22 ARG 17 2HH2 ARG 17 2.981 -1.784 10.609
123 H ASP 18 H ASP 18 -2.719 -4.899 5.949
124 HA ASP 18 HA ASP 18 -4.310 -4.625 3.588
125 HB2 ASP 18 1HB ASP 18 -4.976 -5.887 5.663
126 HB3 ASP 18 2HB ASP 18 -4.868 -4.263 6.434
127 H VAL 19 H VAL 19 -4.153 -2.779 2.692
128 HA VAL 19 HA VAL 19 -4.464 -0.293 4.256
129 HB VAL 19 HB VAL 19 -2.629 -0.653 1.857
130 HG11 VAL 19 1HG1 VAL 19 -3.480 1.637 2.044
131 HG12 VAL 19 2HG1 VAL 19 -1.754 1.570 2.417
132 HG13 VAL 19 3HG1 VAL 19 -2.932 1.708 3.721
133 HG21 VAL 19 3HG2 VAL 19 -1.888 -0.297 4.744
134 HG22 VAL 19 1HG2 VAL 19 -0.770 -0.596 3.404
135 HG23 VAL 19 2HG2 VAL 19 -1.964 -1.832 3.940
136 H SER 20 H SER 20 -5.495 1.441 3.111
137 HA SER 20 HA SER 20 -7.736 0.748 1.703
138 HB2 SER 20 1HB SER 20 -6.293 3.384 1.819
139 HB3 SER 20 2HB SER 20 -8.010 3.154 1.473
140 HG SER 20 HG SER 20 -8.385 2.895 3.514
141 H ALA 21 H ALA 21 -8.082 0.292 -0.305
142 HA ALA 21 HA ALA 21 -6.110 -0.247 -2.200
143 HB1 ALA 21 3HB ALA 21 -7.971 -0.674 -3.728
144 HB2 ALA 21 1HB ALA 21 -9.066 0.127 -2.603
145 HB3 ALA 21 2HB ALA 21 -8.267 -1.374 -2.136
146 H ASN 22 H ASN 22 -8.148 2.539 -1.807
147 HA ASN 22 HA ASN 22 -7.470 3.749 -4.339
148 HB2 ASN 22 1HB ASN 22 -9.578 4.244 -3.148
149 HB3 ASN 22 2HB ASN 22 -8.655 5.030 -1.871
150 HD21 ASN 22 2HD2 ASN 22 -9.668 7.011 -2.178
151 HD22 ASN 22 1HD2 ASN 22 -9.375 7.978 -3.571
152 H ARG 23 H ARG 23 -5.943 3.525 -1.337
153 HA ARG 23 HA ARG 23 -4.370 5.956 -1.755
154 HB2 ARG 23 1HB ARG 23 -5.054 4.335 0.640
155 HB3 ARG 23 2HB ARG 23 -3.835 5.586 0.730
156 HG2 ARG 23 1HG ARG 23 -5.431 7.264 0.107
157 HG3 ARG 23 2HG ARG 23 -6.645 6.042 -0.249
158 HD2 ARG 23 1HD ARG 23 -7.115 7.098 1.839
159 HD3 ARG 23 2HD ARG 23 -6.676 5.411 2.086
160 HE ARG 23 HE ARG 23 -4.400 7.005 2.399
161 HH11 ARG 23 1HH1 ARG 23 -7.469 6.283 4.004
162 HH12 ARG 23 2HH1 ARG 23 -6.930 6.719 5.561
163 HH21 ARG 23 1HH2 ARG 23 -3.660 7.630 4.609
164 HH22 ARG 23 2HH2 ARG 23 -4.779 7.496 5.897
165 H LEU 24 H LEU 24 -4.190 2.861 -2.544
166 HA LEU 24 HA LEU 24 -1.869 1.893 -1.254
167 HB2 LEU 24 1HB LEU 24 -3.832 0.783 -2.766
168 HB3 LEU 24 2HB LEU 24 -2.515 0.807 -3.912
169 HG LEU 24 HG LEU 24 -2.644 -1.323 -2.875
170 HD11 LEU 24 1HD1 LEU 24 -0.382 -0.624 -3.376
171 HD12 LEU 24 2HD1 LEU 24 -0.344 -1.589 -1.907
172 HD13 LEU 24 3HD1 LEU 24 -0.245 0.155 -1.814
173 HD21 LEU 24 3HD2 LEU 24 -2.348 0.073 -0.224
174 HD22 LEU 24 1HD2 LEU 24 -2.313 -1.672 -0.459
175 HD23 LEU 24 2HD2 LEU 24 -3.780 -0.760 -0.823
176 H ALA 25 H ALA 25 -2.392 3.561 -4.259
177 HA ALA 25 HA ALA 25 0.169 3.350 -5.396
178 HB1 ALA 25 3HB ALA 25 -1.705 5.704 -5.632
179 HB2 ALA 25 1HB ALA 25 -1.758 4.245 -6.620
180 HB3 ALA 25 2HB ALA 25 -0.370 5.323 -6.722
181 H ALA 26 H ALA 26 -1.065 6.054 -3.413
182 HA ALA 26 HA ALA 26 1.398 7.448 -3.228
183 HB1 ALA 26 3HB ALA 26 -0.986 7.489 -1.359
184 HB2 ALA 26 1HB ALA 26 -0.760 8.532 -2.762
185 HB3 ALA 26 2HB ALA 26 0.318 8.677 -1.372
186 H HIS 27 H HIS 27 -0.218 5.085 -1.284
187 HA HIS 27 HA HIS 27 1.519 4.897 0.861
188 HB2 HIS 27 1HB HIS 27 -0.609 3.713 1.003
189 HB3 HIS 27 2HB HIS 27 -0.234 2.826 -0.454
190 HD1 HIS 27 HD1 HIS 27 0.894 2.976 3.177
191 HD2 HIS 27 HD2 HIS 27 1.140 0.566 -0.172
192 HE1 HIS 27 HE1 HIS 27 2.082 0.917 3.933
193 H LEU 28 H LEU 28 1.563 3.271 -2.284
194 HA LEU 28 HA LEU 28 3.798 1.700 -1.715
195 HB2 LEU 28 1HB LEU 28 2.120 2.082 -3.959
196 HB3 LEU 28 2HB LEU 28 3.793 2.350 -4.449
197 HG LEU 28 HG LEU 28 3.021 0.010 -4.768
198 HD11 LEU 28 1HD1 LEU 28 5.308 0.431 -2.848
199 HD12 LEU 28 2HD1 LEU 28 5.388 0.554 -4.606
200 HD13 LEU 28 3HD1 LEU 28 5.046 -0.999 -3.846
201 HD21 LEU 28 3HD2 LEU 28 2.745 -1.417 -2.842
202 HD22 LEU 28 1HD2 LEU 28 1.633 -0.063 -2.718
203 HD23 LEU 28 2HD2 LEU 28 3.084 -0.086 -1.737
204 H GLN 29 H GLN 29 3.479 4.916 -2.984
205 HA GLN 29 HA GLN 29 6.233 5.137 -3.571
206 HB2 GLN 29 1HB GLN 29 4.258 7.299 -2.834
207 HB3 GLN 29 2HB GLN 29 5.915 7.630 -3.325
208 HG2 GLN 29 1HG GLN 29 3.773 6.311 -4.989
209 HG3 GLN 29 2HG GLN 29 4.439 7.929 -5.213
210 HE21 GLN 29 2HE2 GLN 29 4.898 4.556 -5.772
211 HE22 GLN 29 1HE2 GLN 29 6.334 4.692 -6.708
212 H ARG 30 H ARG 30 4.453 5.655 -0.594
213 HA ARG 30 HA ARG 30 6.726 6.487 0.989
214 HB2 ARG 30 1HB ARG 30 4.270 6.925 1.494
215 HB3 ARG 30 2HB ARG 30 4.147 5.227 1.906
216 HG2 ARG 30 1HG ARG 30 4.385 6.605 3.894
217 HG3 ARG 30 2HG ARG 30 5.769 5.529 3.700
218 HD2 ARG 30 1HD ARG 30 6.415 7.822 4.369
219 HD3 ARG 30 2HD ARG 30 7.115 7.343 2.828
220 HE ARG 30 HE ARG 30 4.710 8.647 2.315
221 HH11 ARG 30 1HH1 ARG 30 7.932 9.464 3.561
222 HH12 ARG 30 2HH1 ARG 30 7.835 11.080 3.084
223 HH21 ARG 30 1HH2 ARG 30 4.626 10.864 1.630
224 HH22 ARG 30 2HH2 ARG 30 5.934 11.897 1.951
225 H CYS 31 H CYS 31 5.051 3.487 0.432
226 HA CYS 31 HA CYS 31 6.306 1.833 2.224
227 HB2 CYS 31 1HB CYS 31 4.210 1.417 0.819
228 HB3 CYS 31 2HB CYS 31 5.277 1.065 -0.521
229 H LEU 32 H LEU 32 7.068 2.583 -1.167
230 HA LEU 32 HA LEU 32 9.292 0.828 -1.372
231 HB2 LEU 32 1HB LEU 32 7.622 1.989 -3.163
232 HB3 LEU 32 2HB LEU 32 8.934 3.137 -3.218
233 HG LEU 32 HG LEU 32 9.075 1.517 -5.032
234 HD11 LEU 32 1HD1 LEU 32 11.154 2.455 -4.279
235 HD12 LEU 32 2HD1 LEU 32 11.395 0.764 -4.732
236 HD13 LEU 32 3HD1 LEU 32 11.294 1.222 -3.032
237 HD21 LEU 32 3HD2 LEU 32 7.992 -0.369 -3.913
238 HD22 LEU 32 1HD2 LEU 32 9.401 -0.577 -2.882
239 HD23 LEU 32 2HD2 LEU 32 9.532 -0.840 -4.620
240 H SER 33 H SER 33 8.865 4.332 -0.769
241 HA SER 33 HA SER 33 11.583 5.047 -0.891
242 HB2 SER 33 1HB SER 33 9.762 6.717 -0.973
243 HB3 SER 33 2HB SER 33 9.340 6.346 0.692
244 HG SER 33 HG SER 33 11.641 7.574 -0.340
245 H ARG 34 H ARG 34 9.532 4.131 1.869
246 HA ARG 34 HA ARG 34 11.536 4.486 3.831
247 HB2 ARG 34 1HB ARG 34 9.011 2.845 3.843
248 HB3 ARG 34 2HB ARG 34 10.022 3.091 5.259
249 HG2 ARG 34 1HG ARG 34 9.584 5.454 5.240
250 HG3 ARG 34 2HG ARG 34 8.734 5.322 3.699
251 HD2 ARG 34 1HD ARG 34 7.180 5.502 5.569
252 HD3 ARG 34 2HD ARG 34 7.012 3.980 4.713
253 HE ARG 34 HE ARG 34 8.827 3.735 6.869
254 HH11 ARG 34 1HH1 ARG 34 5.307 3.995 6.373
255 HH12 ARG 34 2HH1 ARG 34 4.920 2.974 7.672
256 HH21 ARG 34 1HH2 ARG 34 8.258 2.394 8.678
257 HH22 ARG 34 2HH2 ARG 34 6.632 2.037 9.014
258 H GLY 35 H GLY 35 10.550 1.718 1.935
259 HA2 GLY 35 1HA GLY 35 12.400 0.305 1.217
260 HA3 GLY 35 2HA GLY 35 13.039 0.462 2.843
261 H ALA 36 H ALA 36 9.727 -0.281 1.767
262 HA ALA 36 HA ALA 36 9.711 -2.550 3.501
263 HB1 ALA 36 3HB ALA 36 7.659 -1.229 3.168
264 HB2 ALA 36 1HB ALA 36 7.430 -2.920 2.723
265 HB3 ALA 36 2HB ALA 36 7.649 -1.702 1.469
266 H ARG 37 H ARG 37 11.475 -3.486 2.617
267 HA ARG 37 HA ARG 37 10.932 -5.368 0.467
268 HB2 ARG 37 1HB ARG 37 12.180 -3.461 -0.507
269 HB3 ARG 37 2HB ARG 37 13.393 -3.622 0.748
270 HG2 ARG 37 1HG ARG 37 13.993 -5.828 -0.120
271 HG3 ARG 37 2HG ARG 37 12.779 -5.649 -1.390
272 HD2 ARG 37 1HD ARG 37 15.131 -3.817 -0.951
273 HD3 ARG 37 2HD ARG 37 15.058 -5.096 -2.161
274 HE ARG 37 HE ARG 37 12.872 -3.589 -2.703
275 HH11 ARG 37 1HH1 ARG 37 16.292 -2.769 -2.303
276 HH12 ARG 37 2HH1 ARG 37 16.292 -1.487 -3.397
277 HH21 ARG 37 1HH2 ARG 37 12.839 -1.810 -4.266
278 HH22 ARG 37 2HH2 ARG 37 14.245 -0.907 -4.545
279 H ARG 38 H ARG 38 11.616 -7.338 1.136
280 HA ARG 38 HA ARG 38 13.399 -7.460 3.437
281 HB2 ARG 38 1HB ARG 38 10.864 -9.072 3.019
282 HB3 ARG 38 2HB ARG 38 12.031 -9.357 4.302
283 HG2 ARG 38 1HG ARG 38 11.569 -7.192 5.263
284 HG3 ARG 38 2HG ARG 38 10.475 -6.801 3.936
285 HD2 ARG 38 1HD ARG 38 9.213 -7.444 5.885
286 HD3 ARG 38 2HD ARG 38 9.035 -8.667 4.633
287 HE ARG 38 HE ARG 38 11.149 -9.345 6.355
288 HH11 ARG 38 1HH1 ARG 38 7.632 -9.105 6.358
289 HH12 ARG 38 2HH1 ARG 38 7.383 -10.394 7.439
290 HH21 ARG 38 1HH2 ARG 38 10.832 -11.158 7.869
291 HH22 ARG 38 2HH2 ARG 38 9.253 -11.585 8.307
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -20.645 3.739 7.612
2 H2 GLY 1 2H GLY 1 -20.219 4.142 6.017
3 H3 GLY 1 3H GLY 1 -19.023 3.862 7.190
4 HA2 GLY 1 1HA GLY 1 -20.919 1.817 6.246
5 HA3 GLY 1 2HA GLY 1 -19.252 1.985 5.702
6 H LYS 2 H LYS 2 -18.838 -0.124 6.547
7 HA LYS 2 HA LYS 2 -18.159 0.056 9.342
8 HB2 LYS 2 1HB LYS 2 -18.925 -2.193 9.890
9 HB3 LYS 2 2HB LYS 2 -20.284 -1.265 9.306
10 HG2 LYS 2 1HG LYS 2 -18.752 -3.244 7.621
11 HG3 LYS 2 2HG LYS 2 -20.188 -3.658 8.551
12 HD2 LYS 2 1HD LYS 2 -21.505 -2.107 7.214
13 HD3 LYS 2 2HD LYS 2 -20.060 -1.597 6.344
14 HE2 LYS 2 1HE LYS 2 -21.370 -3.231 5.054
15 HE3 LYS 2 2HE LYS 2 -19.768 -3.836 5.460
16 HZ1 LYS 2 3HZ LYS 2 -21.488 -5.507 5.791
17 HZ2 LYS 2 1HZ LYS 2 -22.275 -4.515 6.903
18 HZ3 LYS 2 2HZ LYS 2 -20.734 -5.123 7.238
19 H GLN 3 H GLN 3 -16.125 -0.342 9.556
20 HA GLN 3 HA GLN 3 -14.838 -1.962 7.495
21 HB2 GLN 3 1HB GLN 3 -13.697 0.511 8.806
22 HB3 GLN 3 2HB GLN 3 -12.839 -0.519 7.675
23 HG2 GLN 3 1HG GLN 3 -14.454 0.046 5.928
24 HG3 GLN 3 2HG GLN 3 -15.328 1.068 7.064
25 HE21 GLN 3 2HE2 GLN 3 -15.023 2.922 5.839
26 HE22 GLN 3 1HE2 GLN 3 -13.486 3.690 5.702
27 H GLN 4 H GLN 4 -15.213 -3.687 8.959
28 HA GLN 4 HA GLN 4 -13.142 -3.806 11.056
29 HB2 GLN 4 1HB GLN 4 -15.480 -4.148 11.873
30 HB3 GLN 4 2HB GLN 4 -15.630 -5.516 10.779
31 HG2 GLN 4 1HG GLN 4 -13.762 -6.614 11.979
32 HG3 GLN 4 2HG GLN 4 -13.786 -5.288 13.138
33 HE21 GLN 4 2HE2 GLN 4 -16.731 -5.095 12.960
34 HE22 GLN 4 1HE2 GLN 4 -17.332 -6.431 13.863
35 H GLU 5 H GLU 5 -14.820 -5.587 8.498
36 HA GLU 5 HA GLU 5 -12.783 -7.606 8.287
37 HB2 GLU 5 1HB GLU 5 -15.028 -6.880 6.398
38 HB3 GLU 5 2HB GLU 5 -14.035 -8.323 6.289
39 HG2 GLU 5 1HG GLU 5 -14.926 -9.126 8.395
40 HG3 GLU 5 2HG GLU 5 -15.875 -7.651 8.574
41 H SER 6 H SER 6 -13.418 -4.523 7.103
42 HA SER 6 HA SER 6 -12.111 -2.970 6.180
43 HB2 SER 6 1HB SER 6 -10.188 -4.451 7.107
44 HB3 SER 6 2HB SER 6 -10.017 -5.013 5.448
45 HG SER 6 HG SER 6 -8.669 -3.371 5.644
46 H SER 7 H SER 7 -13.689 -2.660 4.646
47 HA SER 7 HA SER 7 -13.852 -4.196 2.243
48 HB2 SER 7 1HB SER 7 -15.158 -1.561 2.916
49 HB3 SER 7 2HB SER 7 -15.688 -2.740 1.720
50 HG SER 7 HG SER 7 -16.242 -4.128 3.313
51 H GLN 8 H GLN 8 -12.469 -1.062 3.139
52 HA GLN 8 HA GLN 8 -12.046 -0.401 0.315
53 HB2 GLN 8 1HB GLN 8 -11.726 1.290 2.773
54 HB3 GLN 8 2HB GLN 8 -11.440 1.816 1.115
55 HG2 GLN 8 1HG GLN 8 -13.744 1.424 0.565
56 HG3 GLN 8 2HG GLN 8 -14.075 0.801 2.180
57 HE21 GLN 8 2HE2 GLN 8 -12.063 3.599 1.442
58 HE22 GLN 8 1HE2 GLN 8 -13.105 4.749 2.192
59 H TYR 9 H TYR 9 -10.375 -2.187 2.274
60 HA TYR 9 HA TYR 9 -7.841 -0.912 1.585
61 HB2 TYR 9 1HB TYR 9 -8.395 -2.856 3.864
62 HB3 TYR 9 2HB TYR 9 -6.838 -2.288 3.361
63 HD1 TYR 9 HD2 TYR 9 -10.011 -0.342 4.000
64 HD2 TYR 9 HD1 TYR 9 -5.953 -1.025 5.039
65 HE1 TYR 9 HE2 TYR 9 -10.094 1.548 5.577
66 HE2 TYR 9 HE1 TYR 9 -6.022 0.852 6.609
67 HH TYR 9 HH TYR 9 -7.337 2.940 6.901
68 H ILE 10 H ILE 10 -6.201 -2.290 0.825
69 HA ILE 10 HA ILE 10 -7.165 -4.805 -0.232
70 HB ILE 10 HB ILE 10 -6.972 -2.837 -1.919
71 HG12 ILE 10 1HG1 ILE 10 -5.885 -4.258 -3.655
72 HG13 ILE 10 2HG1 ILE 10 -5.436 -5.387 -2.373
73 HG21 ILE 10 1HG2 ILE 10 -4.772 -2.316 -2.795
74 HG22 ILE 10 2HG2 ILE 10 -4.034 -3.326 -1.552
75 HG23 ILE 10 3HG2 ILE 10 -4.905 -1.868 -1.090
76 HD11 ILE 10 3HD1 ILE 10 -7.766 -5.696 -1.825
77 HD12 ILE 10 1HD1 ILE 10 -7.464 -6.096 -3.525
78 HD13 ILE 10 2HD1 ILE 10 -8.223 -4.552 -3.071
79 H HIS 11 H HIS 11 -5.397 -6.344 -0.451
80 HA HIS 11 HA HIS 11 -3.507 -6.070 1.677
81 HB2 HIS 11 1HB HIS 11 -4.524 -8.265 1.184
82 HB3 HIS 11 2HB HIS 11 -3.803 -8.242 -0.413
83 HD1 HIS 11 HD1 HIS 11 -2.776 -8.505 3.245
84 HD2 HIS 11 HD2 HIS 11 -1.233 -9.211 -0.555
85 HE1 HIS 11 HE1 HIS 11 -0.630 -9.731 3.602
86 HE2 HIS 11 HE2 HIS 11 0.353 -10.008 1.298
87 H CYS 12 H CYS 12 -1.785 -4.760 1.399
88 HA CYS 12 HA CYS 12 -0.571 -4.267 -1.109
89 HB2 CYS 12 1HB CYS 12 -0.434 -2.680 0.844
90 HB3 CYS 12 2HB CYS 12 0.470 -3.933 1.702
91 H GLU 13 H GLU 13 1.091 -5.355 -1.943
92 HA GLU 13 HA GLU 13 1.925 -7.789 -0.536
93 HB2 GLU 13 1HB GLU 13 2.134 -7.049 -3.453
94 HB3 GLU 13 2HB GLU 13 2.799 -8.518 -2.757
95 HG2 GLU 13 1HG GLU 13 0.517 -9.183 -2.097
96 HG3 GLU 13 2HG GLU 13 -0.097 -7.734 -2.897
97 H ASN 14 H ASN 14 2.786 -4.788 -0.839
98 HA ASN 14 HA ASN 14 5.598 -5.235 -1.341
99 HB2 ASN 14 1HB ASN 14 3.934 -2.721 -1.116
100 HB3 ASN 14 2HB ASN 14 5.716 -2.646 -1.106
101 HD21 ASN 14 2HD2 ASN 14 6.763 -3.106 -3.053
102 HD22 ASN 14 1HD2 ASN 14 5.907 -3.198 -4.547
103 H CYS 15 H CYS 15 3.563 -4.149 1.359
104 HA CYS 15 HA CYS 15 5.798 -4.987 3.085
105 HB2 CYS 15 1HB CYS 15 4.805 -3.515 4.850
106 HB3 CYS 15 2HB CYS 15 5.371 -2.606 3.439
107 H GLY 16 H GLY 16 3.006 -6.041 1.873
108 HA2 GLY 16 1HA GLY 16 1.517 -7.685 2.445
109 HA3 GLY 16 2HA GLY 16 2.585 -8.044 3.792
110 H ARG 17 H ARG 17 0.866 -5.050 3.159
111 HA ARG 17 HA ARG 17 -0.459 -5.468 5.731
112 HB2 ARG 17 1HB ARG 17 1.384 -3.935 5.938
113 HB3 ARG 17 2HB ARG 17 0.804 -2.936 4.643
114 HG2 ARG 17 1HG ARG 17 0.316 -1.795 6.631
115 HG3 ARG 17 2HG ARG 17 -1.214 -2.505 6.105
116 HD2 ARG 17 1HD ARG 17 0.562 -3.897 8.088
117 HD3 ARG 17 2HD ARG 17 -0.576 -2.669 8.613
118 HE ARG 17 HE ARG 17 -2.347 -4.046 7.755
119 HH11 ARG 17 1HH1 ARG 17 0.770 -5.647 8.371
120 HH12 ARG 17 2HH1 ARG 17 0.114 -7.201 8.562
121 HH21 ARG 17 1HH2 ARG 17 -3.272 -6.237 8.015
122 HH22 ARG 17 2HH2 ARG 17 -2.238 -7.530 8.340
123 H ASP 18 H ASP 18 -2.522 -4.812 5.864
124 HA ASP 18 HA ASP 18 -4.098 -4.573 3.479
125 HB2 ASP 18 1HB ASP 18 -4.705 -5.840 5.606
126 HB3 ASP 18 2HB ASP 18 -4.758 -4.205 6.310
127 H VAL 19 H VAL 19 -3.870 -2.663 2.608
128 HA VAL 19 HA VAL 19 -4.243 -0.240 4.265
129 HB VAL 19 HB VAL 19 -2.286 -0.480 1.957
130 HG11 VAL 19 1HG1 VAL 19 -3.192 1.785 2.212
131 HG12 VAL 19 2HG1 VAL 19 -1.492 1.729 2.674
132 HG13 VAL 19 3HG1 VAL 19 -2.742 1.778 3.916
133 HG21 VAL 19 3HG2 VAL 19 -1.744 -1.741 4.016
134 HG22 VAL 19 1HG2 VAL 19 -1.726 -0.240 4.893
135 HG23 VAL 19 2HG2 VAL 19 -0.523 -0.513 3.609
136 H SER 20 H SER 20 -5.302 1.532 3.238
137 HA SER 20 HA SER 20 -7.553 1.028 1.857
138 HB2 SER 20 1HB SER 20 -5.917 3.542 1.674
139 HB3 SER 20 2HB SER 20 -7.679 3.392 1.558
140 HG SER 20 HG SER 20 -7.628 3.690 3.642
141 H ALA 21 H ALA 21 -7.982 0.371 -0.020
142 HA ALA 21 HA ALA 21 -6.247 -0.442 -2.006
143 HB1 ALA 21 3HB ALA 21 -9.187 0.170 -2.186
144 HB2 ALA 21 1HB ALA 21 -8.480 -1.339 -1.624
145 HB3 ALA 21 2HB ALA 21 -8.271 -0.848 -3.307
146 H ASN 22 H ASN 22 -8.334 2.350 -1.949
147 HA ASN 22 HA ASN 22 -7.648 3.268 -4.561
148 HB2 ASN 22 1HB ASN 22 -9.820 3.662 -3.389
149 HB3 ASN 22 2HB ASN 22 -8.956 4.714 -2.279
150 HD21 ASN 22 2HD2 ASN 22 -10.301 6.409 -2.833
151 HD22 ASN 22 1HD2 ASN 22 -10.152 7.273 -4.311
152 H ARG 23 H ARG 23 -6.028 3.479 -1.589
153 HA ARG 23 HA ARG 23 -4.614 5.944 -2.372
154 HB2 ARG 23 1HB ARG 23 -5.997 6.003 -0.264
155 HB3 ARG 23 2HB ARG 23 -4.945 4.752 0.374
156 HG2 ARG 23 1HG ARG 23 -3.041 6.281 0.128
157 HG3 ARG 23 2HG ARG 23 -4.167 7.539 -0.393
158 HD2 ARG 23 1HD ARG 23 -5.351 7.339 1.741
159 HD3 ARG 23 2HD ARG 23 -4.199 6.106 2.252
160 HE ARG 23 HE ARG 23 -3.120 8.665 1.460
161 HH11 ARG 23 1HH1 ARG 23 -4.058 6.538 4.154
162 HH12 ARG 23 2HH1 ARG 23 -3.190 7.389 5.323
163 HH21 ARG 23 1HH2 ARG 23 -1.881 9.837 3.101
164 HH22 ARG 23 2HH2 ARG 23 -1.916 9.276 4.708
165 H LEU 24 H LEU 24 -4.317 2.835 -2.739
166 HA LEU 24 HA LEU 24 -2.053 2.021 -1.284
167 HB2 LEU 24 1HB LEU 24 -3.815 0.613 -2.580
168 HB3 LEU 24 2HB LEU 24 -2.804 0.891 -3.972
169 HG LEU 24 HG LEU 24 -2.506 -1.315 -2.965
170 HD11 LEU 24 1HD1 LEU 24 0.021 -1.313 -2.757
171 HD12 LEU 24 2HD1 LEU 24 -0.079 0.434 -2.929
172 HD13 LEU 24 3HD1 LEU 24 -0.649 -0.611 -4.228
173 HD21 LEU 24 3HD2 LEU 24 -1.343 -1.601 -0.833
174 HD22 LEU 24 1HD2 LEU 24 -2.895 -0.793 -0.637
175 HD23 LEU 24 2HD2 LEU 24 -1.395 0.139 -0.571
176 H ALA 25 H ALA 25 -2.439 3.553 -4.358
177 HA ALA 25 HA ALA 25 0.101 3.507 -5.443
178 HB1 ALA 25 3HB ALA 25 -1.807 5.839 -5.455
179 HB2 ALA 25 1HB ALA 25 -1.845 4.473 -6.567
180 HB3 ALA 25 2HB ALA 25 -0.476 5.585 -6.579
181 H ALA 26 H ALA 26 -1.122 6.133 -3.321
182 HA ALA 26 HA ALA 26 1.378 7.465 -3.069
183 HB1 ALA 26 3HB ALA 26 0.299 8.719 -1.250
184 HB2 ALA 26 1HB ALA 26 -1.036 7.565 -1.246
185 HB3 ALA 26 2HB ALA 26 -0.763 8.592 -2.652
186 H HIS 27 H HIS 27 -0.328 5.092 -1.219
187 HA HIS 27 HA HIS 27 1.325 4.851 0.992
188 HB2 HIS 27 1HB HIS 27 -0.786 3.633 1.010
189 HB3 HIS 27 2HB HIS 27 -0.343 2.798 -0.464
190 HD1 HIS 27 HD1 HIS 27 0.689 2.886 3.178
191 HD2 HIS 27 HD2 HIS 27 0.998 0.514 -0.190
192 HE1 HIS 27 HE1 HIS 27 1.920 0.830 3.932
193 H LEU 28 H LEU 28 1.468 3.282 -2.182
194 HA LEU 28 HA LEU 28 3.660 1.697 -1.574
195 HB2 LEU 28 1HB LEU 28 1.970 2.033 -3.780
196 HB3 LEU 28 2HB LEU 28 3.613 2.378 -4.321
197 HG LEU 28 HG LEU 28 2.862 0.001 -4.608
198 HD11 LEU 28 1HD1 LEU 28 5.030 -0.909 -3.879
199 HD12 LEU 28 2HD1 LEU 28 5.310 0.545 -2.920
200 HD13 LEU 28 3HD1 LEU 28 5.217 0.650 -4.680
201 HD21 LEU 28 3HD2 LEU 28 2.730 -1.444 -2.734
202 HD22 LEU 28 1HD2 LEU 28 1.754 -0.051 -2.310
203 HD23 LEU 28 2HD2 LEU 28 3.369 -0.236 -1.632
204 H GLN 29 H GLN 29 3.375 4.901 -2.871
205 HA GLN 29 HA GLN 29 6.070 5.251 -3.589
206 HB2 GLN 29 1HB GLN 29 4.189 7.306 -2.404
207 HB3 GLN 29 2HB GLN 29 5.704 7.675 -3.216
208 HG2 GLN 29 1HG GLN 29 3.295 6.369 -4.461
209 HG3 GLN 29 2HG GLN 29 3.807 8.043 -4.675
210 HE21 GLN 29 2HE2 GLN 29 4.449 4.709 -5.508
211 HE22 GLN 29 1HE2 GLN 29 5.608 5.067 -6.731
212 H ARG 30 H ARG 30 4.451 5.676 -0.484
213 HA ARG 30 HA ARG 30 6.913 6.344 0.920
214 HB2 ARG 30 1HB ARG 30 4.685 7.237 1.517
215 HB3 ARG 30 2HB ARG 30 4.187 5.613 1.958
216 HG2 ARG 30 1HG ARG 30 5.369 5.630 3.889
217 HG3 ARG 30 2HG ARG 30 6.618 6.710 3.250
218 HD2 ARG 30 1HD ARG 30 3.793 7.538 3.816
219 HD3 ARG 30 2HD ARG 30 5.136 7.771 4.947
220 HE ARG 30 HE ARG 30 6.104 8.905 2.760
221 HH11 ARG 30 1HH1 ARG 30 2.885 9.336 4.186
222 HH12 ARG 30 2HH1 ARG 30 2.735 10.945 3.656
223 HH21 ARG 30 1HH2 ARG 30 5.886 11.096 2.063
224 HH22 ARG 30 2HH2 ARG 30 4.495 11.985 2.446
225 H CYS 31 H CYS 31 4.929 3.505 0.537
226 HA CYS 31 HA CYS 31 6.133 1.771 2.304
227 HB2 CYS 31 1HB CYS 31 4.015 1.392 0.996
228 HB3 CYS 31 2HB CYS 31 5.028 1.136 -0.411
229 H LEU 32 H LEU 32 6.940 2.584 -1.037
230 HA LEU 32 HA LEU 32 8.984 0.618 -1.269
231 HB2 LEU 32 1HB LEU 32 7.422 1.698 -3.095
232 HB3 LEU 32 2HB LEU 32 8.601 2.979 -3.068
233 HG LEU 32 HG LEU 32 8.919 1.413 -4.950
234 HD11 LEU 32 1HD1 LEU 32 11.301 1.064 -4.732
235 HD12 LEU 32 2HD1 LEU 32 11.197 1.409 -3.002
236 HD13 LEU 32 3HD1 LEU 32 10.820 2.667 -4.178
237 HD21 LEU 32 3HD2 LEU 32 9.583 -0.607 -2.819
238 HD22 LEU 32 1HD2 LEU 32 9.764 -0.829 -4.556
239 HD23 LEU 32 2HD2 LEU 32 8.158 -0.625 -3.851
240 H SER 33 H SER 33 8.832 4.170 -0.870
241 HA SER 33 HA SER 33 11.588 4.637 -0.930
242 HB2 SER 33 1HB SER 33 9.820 6.398 -1.129
243 HB3 SER 33 2HB SER 33 9.478 6.204 0.584
244 HG SER 33 HG SER 33 11.993 6.936 -0.499
245 H ARG 34 H ARG 34 9.447 3.742 1.745
246 HA ARG 34 HA ARG 34 11.631 3.835 3.656
247 HB2 ARG 34 1HB ARG 34 8.697 3.200 3.919
248 HB3 ARG 34 2HB ARG 34 9.831 3.069 5.251
249 HG2 ARG 34 1HG ARG 34 10.271 5.453 5.133
250 HG3 ARG 34 2HG ARG 34 9.205 5.589 3.730
251 HD2 ARG 34 1HD ARG 34 8.124 6.272 5.845
252 HD3 ARG 34 2HD ARG 34 7.312 4.949 5.007
253 HE ARG 34 HE ARG 34 8.983 3.663 6.732
254 HH11 ARG 34 1HH1 ARG 34 6.551 6.166 7.424
255 HH12 ARG 34 2HH1 ARG 34 6.189 5.546 8.963
256 HH21 ARG 34 1HH2 ARG 34 8.482 2.873 8.745
257 HH22 ARG 34 2HH2 ARG 34 7.302 3.578 9.765
258 H GLY 35 H GLY 35 12.425 2.071 1.920
259 HA2 GLY 35 1HA GLY 35 11.443 -0.565 2.044
260 HA3 GLY 35 2HA GLY 35 13.068 -0.090 1.558
261 H ALA 36 H ALA 36 11.175 -1.586 3.880
262 HA ALA 36 HA ALA 36 11.513 -2.644 5.808
263 HB1 ALA 36 3HB ALA 36 14.471 -2.288 5.270
264 HB2 ALA 36 1HB ALA 36 13.483 -3.629 4.691
265 HB3 ALA 36 2HB ALA 36 13.754 -3.417 6.419
266 H ARG 37 H ARG 37 11.644 0.408 5.549
267 HA ARG 37 HA ARG 37 12.925 0.952 8.097
268 HB2 ARG 37 1HB ARG 37 12.110 2.869 5.923
269 HB3 ARG 37 2HB ARG 37 12.617 3.398 7.519
270 HG2 ARG 37 1HG ARG 37 14.745 2.165 7.172
271 HG3 ARG 37 2HG ARG 37 14.243 1.870 5.507
272 HD2 ARG 37 1HD ARG 37 14.497 4.598 6.752
273 HD3 ARG 37 2HD ARG 37 15.778 3.834 5.830
274 HE ARG 37 HE ARG 37 14.067 3.765 3.988
275 HH11 ARG 37 1HH1 ARG 37 14.074 6.309 6.459
276 HH12 ARG 37 2HH1 ARG 37 13.523 7.541 5.433
277 HH21 ARG 37 1HH2 ARG 37 13.305 5.472 2.546
278 HH22 ARG 37 2HH2 ARG 37 13.107 7.058 3.122
279 H ARG 38 H ARG 38 11.603 0.307 9.549
280 HA ARG 38 HA ARG 38 9.207 1.891 9.902
281 HB2 ARG 38 1HB ARG 38 8.145 -0.115 11.018
282 HB3 ARG 38 2HB ARG 38 8.291 -0.223 9.275
283 HG2 ARG 38 1HG ARG 38 10.161 -1.721 9.480
284 HG3 ARG 38 2HG ARG 38 10.179 -1.505 11.231
285 HD2 ARG 38 1HD ARG 38 7.865 -2.636 9.683
286 HD3 ARG 38 2HD ARG 38 9.095 -3.616 10.478
287 HE ARG 38 HE ARG 38 8.065 -1.826 12.346
288 HH11 ARG 38 1HH1 ARG 38 6.967 -4.615 10.490
289 HH12 ARG 38 2HH1 ARG 38 5.836 -5.152 11.635
290 HH21 ARG 38 1HH2 ARG 38 6.500 -2.540 13.954
291 HH22 ARG 38 2HH2 ARG 38 5.564 -3.928 13.657
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -27.772 10.631 2.421
2 H2 GLY 1 2H GLY 1 -27.131 9.327 1.562
3 H3 GLY 1 3H GLY 1 -26.554 10.881 1.275
4 HA2 GLY 1 1HA GLY 1 -25.604 11.004 3.439
5 HA3 GLY 1 2HA GLY 1 -26.223 9.387 3.776
6 H LYS 2 H LYS 2 -24.657 7.975 3.669
7 HA LYS 2 HA LYS 2 -22.330 8.456 2.041
8 HB2 LYS 2 1HB LYS 2 -23.031 6.166 3.879
9 HB3 LYS 2 2HB LYS 2 -21.482 6.368 3.074
10 HG2 LYS 2 1HG LYS 2 -21.074 8.415 4.318
11 HG3 LYS 2 2HG LYS 2 -22.667 8.297 5.065
12 HD2 LYS 2 1HD LYS 2 -20.413 6.300 5.385
13 HD3 LYS 2 2HD LYS 2 -20.861 7.529 6.565
14 HE2 LYS 2 1HE LYS 2 -23.134 6.477 6.686
15 HE3 LYS 2 2HE LYS 2 -22.533 5.201 5.631
16 HZ1 LYS 2 3HZ LYS 2 -21.530 5.836 8.350
17 HZ2 LYS 2 1HZ LYS 2 -20.862 4.660 7.335
18 HZ3 LYS 2 2HZ LYS 2 -22.424 4.496 7.903
19 H GLN 3 H GLN 3 -22.807 8.184 -0.042
20 HA GLN 3 HA GLN 3 -24.429 6.071 -1.114
21 HB2 GLN 3 1HB GLN 3 -22.268 7.674 -2.512
22 HB3 GLN 3 2HB GLN 3 -23.593 6.812 -3.268
23 HG2 GLN 3 1HG GLN 3 -25.182 8.367 -2.355
24 HG3 GLN 3 2HG GLN 3 -23.902 9.194 -1.462
25 HE21 GLN 3 2HE2 GLN 3 -22.421 10.460 -2.590
26 HE22 GLN 3 1HE2 GLN 3 -22.732 11.018 -4.190
27 H GLN 4 H GLN 4 -21.113 6.768 -0.559
28 HA GLN 4 HA GLN 4 -20.374 3.978 -0.952
29 HB2 GLN 4 1HB GLN 4 -19.610 5.394 -2.839
30 HB3 GLN 4 2HB GLN 4 -18.788 6.445 -1.694
31 HG2 GLN 4 1HG GLN 4 -17.319 4.616 -1.057
32 HG3 GLN 4 2HG GLN 4 -18.154 3.551 -2.187
33 HE21 GLN 4 2HE2 GLN 4 -18.436 5.666 -4.199
34 HE22 GLN 4 1HE2 GLN 4 -16.876 5.870 -4.874
35 H GLU 5 H GLU 5 -19.428 3.223 0.834
36 HA GLU 5 HA GLU 5 -19.154 4.976 3.131
37 HB2 GLU 5 1HB GLU 5 -18.833 1.994 2.852
38 HB3 GLU 5 2HB GLU 5 -18.871 2.879 4.370
39 HG2 GLU 5 1HG GLU 5 -21.142 3.512 4.026
40 HG3 GLU 5 2HG GLU 5 -21.124 2.874 2.386
41 H SER 6 H SER 6 -17.253 4.374 0.699
42 HA SER 6 HA SER 6 -15.085 4.476 0.194
43 HB2 SER 6 1HB SER 6 -14.779 5.660 2.963
44 HB3 SER 6 2HB SER 6 -13.646 5.853 1.618
45 HG SER 6 HG SER 6 -15.221 6.960 0.485
46 H SER 7 H SER 7 -15.285 2.181 0.259
47 HA SER 7 HA SER 7 -14.032 0.802 2.500
48 HB2 SER 7 1HB SER 7 -15.690 -0.192 0.166
49 HB3 SER 7 2HB SER 7 -15.164 -1.156 1.550
50 HG SER 7 HG SER 7 -16.277 0.854 2.616
51 H GLN 8 H GLN 8 -13.405 -1.495 0.912
52 HA GLN 8 HA GLN 8 -12.046 -2.473 -0.471
53 HB2 GLN 8 1HB GLN 8 -12.778 -0.715 -2.205
54 HB3 GLN 8 2HB GLN 8 -11.278 0.090 -1.680
55 HG2 GLN 8 1HG GLN 8 -10.998 -1.229 -3.762
56 HG3 GLN 8 2HG GLN 8 -9.913 -1.663 -2.441
57 HE21 GLN 8 2HE2 GLN 8 -10.115 -3.680 -1.470
58 HE22 GLN 8 1HE2 GLN 8 -11.100 -4.923 -2.133
59 H TYR 9 H TYR 9 -10.800 -2.873 1.361
60 HA TYR 9 HA TYR 9 -8.240 -1.496 1.120
61 HB2 TYR 9 1HB TYR 9 -8.998 -3.450 3.390
62 HB3 TYR 9 2HB TYR 9 -7.551 -2.538 3.190
63 HD1 TYR 9 HD2 TYR 9 -11.197 -1.774 3.420
64 HD2 TYR 9 HD1 TYR 9 -7.227 -0.626 4.381
65 HE1 TYR 9 HE2 TYR 9 -12.070 0.128 4.692
66 HE2 TYR 9 HE1 TYR 9 -8.085 1.285 5.657
67 HH TYR 9 HH TYR 9 -11.423 1.576 6.405
68 H ILE 10 H ILE 10 -6.491 -2.652 0.447
69 HA ILE 10 HA ILE 10 -7.034 -5.347 -0.397
70 HB ILE 10 HB ILE 10 -7.257 -3.732 -2.261
71 HG12 ILE 10 1HG1 ILE 10 -5.591 -4.739 -3.820
72 HG13 ILE 10 2HG1 ILE 10 -4.840 -5.513 -2.421
73 HG21 ILE 10 1HG2 ILE 10 -4.432 -3.005 -1.677
74 HG22 ILE 10 2HG2 ILE 10 -5.852 -1.965 -1.506
75 HG23 ILE 10 3HG2 ILE 10 -5.329 -2.502 -3.105
76 HD11 ILE 10 3HD1 ILE 10 -7.672 -5.805 -3.256
77 HD12 ILE 10 1HD1 ILE 10 -6.890 -6.589 -1.896
78 HD13 ILE 10 2HD1 ILE 10 -6.386 -7.011 -3.553
79 H HIS 11 H HIS 11 -5.040 -6.595 -0.478
80 HA HIS 11 HA HIS 11 -3.311 -5.838 1.670
81 HB2 HIS 11 1HB HIS 11 -2.305 -7.984 1.540
82 HB3 HIS 11 2HB HIS 11 -3.994 -8.261 1.165
83 HD1 HIS 11 HD1 HIS 11 -0.661 -8.991 0.018
84 HD2 HIS 11 HD2 HIS 11 -4.374 -8.575 -1.800
85 HE1 HIS 11 HE1 HIS 11 -0.419 -10.021 -2.263
86 HE2 HIS 11 HE2 HIS 11 -2.739 -10.020 -3.191
87 H CYS 12 H CYS 12 -1.560 -4.685 1.533
88 HA CYS 12 HA CYS 12 -0.207 -4.043 -0.913
89 HB2 CYS 12 1HB CYS 12 -0.151 -2.586 1.194
90 HB3 CYS 12 2HB CYS 12 0.791 -3.884 1.934
91 H GLU 13 H GLU 13 1.215 -5.333 -1.842
92 HA GLU 13 HA GLU 13 1.963 -7.753 -0.399
93 HB2 GLU 13 1HB GLU 13 2.756 -8.602 -2.576
94 HB3 GLU 13 2HB GLU 13 1.073 -8.106 -2.632
95 HG2 GLU 13 1HG GLU 13 1.734 -6.032 -3.730
96 HG3 GLU 13 2HG GLU 13 3.423 -6.540 -3.678
97 H ASN 14 H ASN 14 3.010 -4.842 -0.536
98 HA ASN 14 HA ASN 14 5.832 -5.398 -0.780
99 HB2 ASN 14 1HB ASN 14 4.198 -2.898 -0.705
100 HB3 ASN 14 2HB ASN 14 5.940 -2.807 -0.344
101 HD21 ASN 14 2HD2 ASN 14 3.516 -3.418 -2.734
102 HD22 ASN 14 1HD2 ASN 14 4.552 -3.424 -4.095
103 H CYS 15 H CYS 15 3.519 -4.443 1.707
104 HA CYS 15 HA CYS 15 5.566 -5.306 3.611
105 HB2 CYS 15 1HB CYS 15 4.699 -3.633 5.252
106 HB3 CYS 15 2HB CYS 15 5.478 -2.877 3.848
107 H GLY 16 H GLY 16 2.945 -6.371 2.279
108 HA2 GLY 16 1HA GLY 16 1.259 -7.814 2.848
109 HA3 GLY 16 2HA GLY 16 2.222 -8.152 4.285
110 H ARG 17 H ARG 17 0.604 -5.284 3.209
111 HA ARG 17 HA ARG 17 -0.746 -5.242 5.817
112 HB2 ARG 17 1HB ARG 17 1.089 -3.795 5.960
113 HB3 ARG 17 2HB ARG 17 0.751 -2.995 4.463
114 HG2 ARG 17 1HG ARG 17 -1.290 -2.067 5.496
115 HG3 ARG 17 2HG ARG 17 -0.837 -2.861 7.007
116 HD2 ARG 17 1HD ARG 17 1.209 -1.623 7.121
117 HD3 ARG 17 2HD ARG 17 0.912 -0.915 5.529
118 HE ARG 17 HE ARG 17 -1.242 -0.265 7.135
119 HH11 ARG 17 1HH1 ARG 17 2.253 0.363 7.106
120 HH12 ARG 17 2HH1 ARG 17 2.120 1.906 7.776
121 HH21 ARG 17 1HH2 ARG 17 -1.447 1.819 8.021
122 HH22 ARG 17 2HH2 ARG 17 -0.079 2.781 8.300
123 H ASP 18 H ASP 18 -2.843 -4.484 5.896
124 HA ASP 18 HA ASP 18 -4.333 -4.614 3.433
125 HB2 ASP 18 1HB ASP 18 -4.996 -5.745 5.593
126 HB3 ASP 18 2HB ASP 18 -5.118 -4.064 6.201
127 H VAL 19 H VAL 19 -4.237 -2.755 2.390
128 HA VAL 19 HA VAL 19 -4.894 -0.295 3.888
129 HB VAL 19 HB VAL 19 -2.853 -0.492 1.650
130 HG11 VAL 19 1HG1 VAL 19 -3.974 1.687 1.682
131 HG12 VAL 19 2HG1 VAL 19 -2.295 1.832 2.194
132 HG13 VAL 19 3HG1 VAL 19 -3.591 1.869 3.393
133 HG21 VAL 19 3HG2 VAL 19 -2.439 -0.003 4.581
134 HG22 VAL 19 1HG2 VAL 19 -1.166 -0.144 3.361
135 HG23 VAL 19 2HG2 VAL 19 -2.218 -1.530 3.786
136 H SER 20 H SER 20 -6.239 1.116 2.919
137 HA SER 20 HA SER 20 -8.199 0.549 1.035
138 HB2 SER 20 1HB SER 20 -8.309 2.509 2.434
139 HB3 SER 20 2HB SER 20 -6.791 3.121 1.796
140 HG SER 20 HG SER 20 -9.300 2.938 0.471
141 H ALA 21 H ALA 21 -8.256 0.291 -1.042
142 HA ALA 21 HA ALA 21 -5.922 0.066 -2.630
143 HB1 ALA 21 3HB ALA 21 -8.784 0.352 -3.507
144 HB2 ALA 21 1HB ALA 21 -7.967 -1.175 -3.145
145 HB3 ALA 21 2HB ALA 21 -7.450 -0.205 -4.527
146 H ASN 22 H ASN 22 -8.026 2.598 -1.913
147 HA ASN 22 HA ASN 22 -7.366 4.419 -4.037
148 HB2 ASN 22 1HB ASN 22 -9.417 4.502 -2.636
149 HB3 ASN 22 2HB ASN 22 -8.447 4.981 -1.258
150 HD21 ASN 22 2HD2 ASN 22 -10.634 6.411 -2.327
151 HD22 ASN 22 1HD2 ASN 22 -10.067 7.947 -2.875
152 H ARG 23 H ARG 23 -6.178 3.773 -0.801
153 HA ARG 23 HA ARG 23 -4.408 6.071 -0.747
154 HB2 ARG 23 1HB ARG 23 -5.727 5.291 1.220
155 HB3 ARG 23 2HB ARG 23 -4.735 3.841 1.250
156 HG2 ARG 23 1HG ARG 23 -3.902 5.313 2.897
157 HG3 ARG 23 2HG ARG 23 -2.749 5.311 1.555
158 HD2 ARG 23 1HD ARG 23 -3.167 7.586 2.409
159 HD3 ARG 23 2HD ARG 23 -3.689 7.415 0.728
160 HE ARG 23 HE ARG 23 -5.660 6.953 2.789
161 HH11 ARG 23 1HH1 ARG 23 -4.353 9.310 0.483
162 HH12 ARG 23 2HH1 ARG 23 -5.773 10.238 0.435
163 HH21 ARG 23 1HH2 ARG 23 -7.586 8.206 2.709
164 HH22 ARG 23 2HH2 ARG 23 -7.682 9.581 1.716
165 H LEU 24 H LEU 24 -4.263 2.688 -1.441
166 HA LEU 24 HA LEU 24 -1.703 2.090 -0.623
167 HB2 LEU 24 1HB LEU 24 -3.368 0.376 -1.159
168 HB3 LEU 24 2HB LEU 24 -3.239 0.757 -2.859
169 HG LEU 24 HG LEU 24 -0.920 -0.111 -2.889
170 HD11 LEU 24 1HD1 LEU 24 -0.402 0.441 -0.514
171 HD12 LEU 24 2HD1 LEU 24 0.096 -1.172 -0.973
172 HD13 LEU 24 3HD1 LEU 24 -1.374 -0.941 -0.014
173 HD21 LEU 24 3HD2 LEU 24 -2.776 -2.018 -1.543
174 HD22 LEU 24 1HD2 LEU 24 -1.421 -2.439 -2.580
175 HD23 LEU 24 2HD2 LEU 24 -2.844 -1.629 -3.272
176 H ALA 25 H ALA 25 -2.617 3.876 -3.399
177 HA ALA 25 HA ALA 25 -0.336 3.465 -5.030
178 HB1 ALA 25 3HB ALA 25 -2.144 5.881 -4.846
179 HB2 ALA 25 1HB ALA 25 -2.399 4.481 -5.884
180 HB3 ALA 25 2HB ALA 25 -1.014 5.545 -6.152
181 H ALA 26 H ALA 26 -1.114 6.269 -2.925
182 HA ALA 26 HA ALA 26 1.491 7.399 -3.045
183 HB1 ALA 26 3HB ALA 26 -0.709 7.802 -1.018
184 HB2 ALA 26 1HB ALA 26 -0.488 8.749 -2.487
185 HB3 ALA 26 2HB ALA 26 0.711 8.834 -1.192
186 H HIS 27 H HIS 27 -0.160 5.198 -0.960
187 HA HIS 27 HA HIS 27 1.764 4.999 1.047
188 HB2 HIS 27 1HB HIS 27 -0.361 3.923 1.453
189 HB3 HIS 27 2HB HIS 27 -0.178 2.964 -0.006
190 HD1 HIS 27 HD1 HIS 27 1.140 3.081 3.559
191 HD2 HIS 27 HD2 HIS 27 1.373 0.724 0.166
192 HE1 HIS 27 HE1 HIS 27 2.331 1.014 4.268
193 H LEU 28 H LEU 28 1.496 3.230 -2.069
194 HA LEU 28 HA LEU 28 3.781 1.666 -1.645
195 HB2 LEU 28 1HB LEU 28 2.060 2.222 -3.923
196 HB3 LEU 28 2HB LEU 28 3.790 2.174 -4.305
197 HG LEU 28 HG LEU 28 2.617 -0.018 -4.609
198 HD11 LEU 28 1HD1 LEU 28 5.009 0.154 -4.366
199 HD12 LEU 28 2HD1 LEU 28 4.395 -1.297 -3.575
200 HD13 LEU 28 3HD1 LEU 28 4.852 0.106 -2.611
201 HD21 LEU 28 3HD2 LEU 28 2.541 0.062 -1.602
202 HD22 LEU 28 1HD2 LEU 28 2.173 -1.329 -2.618
203 HD23 LEU 28 2HD2 LEU 28 1.147 0.107 -2.673
204 H GLN 29 H GLN 29 3.318 4.840 -2.955
205 HA GLN 29 HA GLN 29 5.909 5.184 -3.926
206 HB2 GLN 29 1HB GLN 29 4.150 7.305 -2.679
207 HB3 GLN 29 2HB GLN 29 5.537 7.594 -3.720
208 HG2 GLN 29 1HG GLN 29 2.938 6.282 -4.493
209 HG3 GLN 29 2HG GLN 29 3.500 7.877 -4.979
210 HE21 GLN 29 2HE2 GLN 29 3.696 4.500 -5.530
211 HE22 GLN 29 1HE2 GLN 29 4.713 4.526 -6.915
212 H ARG 30 H ARG 30 4.597 5.680 -0.645
213 HA ARG 30 HA ARG 30 7.161 6.496 0.333
214 HB2 ARG 30 1HB ARG 30 4.967 7.276 1.239
215 HB3 ARG 30 2HB ARG 30 4.709 5.657 1.866
216 HG2 ARG 30 1HG ARG 30 6.596 5.848 3.310
217 HG3 ARG 30 2HG ARG 30 7.019 7.420 2.620
218 HD2 ARG 30 1HD ARG 30 5.872 7.768 4.691
219 HD3 ARG 30 2HD ARG 30 4.833 8.266 3.346
220 HE ARG 30 HE ARG 30 4.512 5.593 4.410
221 HH11 ARG 30 1HH1 ARG 30 3.151 8.838 4.012
222 HH12 ARG 30 2HH1 ARG 30 1.707 8.478 4.834
223 HH21 ARG 30 1HH2 ARG 30 2.540 5.117 5.535
224 HH22 ARG 30 2HH2 ARG 30 1.338 6.317 5.694
225 H CYS 31 H CYS 31 5.167 3.592 0.514
226 HA CYS 31 HA CYS 31 6.662 1.952 2.114
227 HB2 CYS 31 1HB CYS 31 4.374 1.490 1.064
228 HB3 CYS 31 2HB CYS 31 5.210 0.986 -0.389
229 H LEU 32 H LEU 32 7.007 2.493 -1.396
230 HA LEU 32 HA LEU 32 9.226 0.737 -1.658
231 HB2 LEU 32 1HB LEU 32 7.799 2.626 -3.474
232 HB3 LEU 32 2HB LEU 32 9.386 2.005 -3.964
233 HG LEU 32 HG LEU 32 6.855 0.463 -3.395
234 HD11 LEU 32 1HD1 LEU 32 6.900 0.015 -5.804
235 HD12 LEU 32 2HD1 LEU 32 8.317 1.048 -5.966
236 HD13 LEU 32 3HD1 LEU 32 6.773 1.739 -5.466
237 HD21 LEU 32 3HD2 LEU 32 9.566 -0.514 -4.323
238 HD22 LEU 32 1HD2 LEU 32 8.086 -1.474 -4.301
239 HD23 LEU 32 2HD2 LEU 32 8.775 -0.897 -2.792
240 H SER 33 H SER 33 8.905 4.304 -1.540
241 HA SER 33 HA SER 33 11.638 4.758 -1.929
242 HB2 SER 33 1HB SER 33 9.615 6.516 -0.535
243 HB3 SER 33 2HB SER 33 11.209 7.028 -1.100
244 HG SER 33 HG SER 33 8.908 6.434 -2.519
245 H ARG 34 H ARG 34 9.926 3.784 0.896
246 HA ARG 34 HA ARG 34 12.355 4.205 2.470
247 HB2 ARG 34 1HB ARG 34 9.482 3.950 3.369
248 HB3 ARG 34 2HB ARG 34 10.865 4.049 4.453
249 HG2 ARG 34 1HG ARG 34 11.411 6.256 3.627
250 HG3 ARG 34 2HG ARG 34 10.100 6.164 2.453
251 HD2 ARG 34 1HD ARG 34 9.488 7.517 4.394
252 HD3 ARG 34 2HD ARG 34 8.475 6.084 4.260
253 HE ARG 34 HE ARG 34 10.331 5.220 5.927
254 HH11 ARG 34 1HH1 ARG 34 8.542 8.273 5.959
255 HH12 ARG 34 2HH1 ARG 34 8.611 8.441 7.643
256 HH21 ARG 34 1HH2 ARG 34 10.394 5.441 8.230
257 HH22 ARG 34 2HH2 ARG 34 9.731 6.822 8.970
258 H GLY 35 H GLY 35 11.635 1.974 0.615
259 HA2 GLY 35 1HA GLY 35 11.448 -0.318 2.368
260 HA3 GLY 35 2HA GLY 35 11.657 -0.340 0.618
261 H ALA 36 H ALA 36 13.166 -1.131 3.385
262 HA ALA 36 HA ALA 36 15.806 -0.702 2.187
263 HB1 ALA 36 3HB ALA 36 16.742 -0.288 4.405
264 HB2 ALA 36 1HB ALA 36 15.136 -0.430 5.116
265 HB3 ALA 36 2HB ALA 36 15.498 0.899 4.014
266 H ARG 37 H ARG 37 17.444 -2.178 3.014
267 HA ARG 37 HA ARG 37 16.493 -4.703 4.113
268 HB2 ARG 37 1HB ARG 37 18.210 -4.389 1.637
269 HB3 ARG 37 2HB ARG 37 18.010 -5.889 2.513
270 HG2 ARG 37 1HG ARG 37 15.659 -5.950 1.936
271 HG3 ARG 37 2HG ARG 37 15.808 -4.382 1.132
272 HD2 ARG 37 1HD ARG 37 15.864 -6.258 -0.462
273 HD3 ARG 37 2HD ARG 37 17.350 -5.313 -0.479
274 HE ARG 37 HE ARG 37 17.766 -7.388 1.300
275 HH11 ARG 37 1HH1 ARG 37 17.132 -7.121 -2.180
276 HH12 ARG 37 2HH1 ARG 37 17.997 -8.546 -2.543
277 HH21 ARG 37 1HH2 ARG 37 18.924 -9.285 0.757
278 HH22 ARG 37 2HH2 ARG 37 19.026 -9.785 -0.872
279 H ARG 38 H ARG 38 18.448 -5.968 4.816
280 HA ARG 38 HA ARG 38 20.794 -4.358 5.211
281 HB2 ARG 38 1HB ARG 38 20.829 -5.013 7.661
282 HB3 ARG 38 2HB ARG 38 19.648 -3.794 7.208
283 HG2 ARG 38 1HG ARG 38 17.898 -5.523 7.204
284 HG3 ARG 38 2HG ARG 38 19.094 -6.715 7.715
285 HD2 ARG 38 1HD ARG 38 19.514 -5.472 9.742
286 HD3 ARG 38 2HD ARG 38 18.407 -4.204 9.217
287 HE ARG 38 HE ARG 38 17.056 -6.635 9.244
288 HH11 ARG 38 1HH1 ARG 38 18.464 -4.298 11.508
289 HH12 ARG 38 2HH1 ARG 38 17.401 -4.641 12.780
290 HH21 ARG 38 1HH2 ARG 38 15.561 -7.141 11.012
291 HH22 ARG 38 2HH2 ARG 38 15.719 -6.308 12.485
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -29.679 3.907 1.719
2 H2 GLY 1 2H GLY 1 -29.762 5.249 0.674
3 H3 GLY 1 3H GLY 1 -28.619 5.194 1.923
4 HA2 GLY 1 1HA GLY 1 -28.667 3.375 -0.384
5 HA3 GLY 1 2HA GLY 1 -27.579 4.740 -0.157
6 H LYS 2 H LYS 2 -26.450 2.329 -0.495
7 HA LYS 2 HA LYS 2 -26.014 1.030 2.007
8 HB2 LYS 2 1HB LYS 2 -24.306 -0.316 0.821
9 HB3 LYS 2 2HB LYS 2 -25.835 -0.293 -0.033
10 HG2 LYS 2 1HG LYS 2 -24.908 1.383 -1.596
11 HG3 LYS 2 2HG LYS 2 -23.373 1.296 -0.735
12 HD2 LYS 2 1HD LYS 2 -23.145 -1.056 -1.326
13 HD3 LYS 2 2HD LYS 2 -24.725 -1.033 -2.109
14 HE2 LYS 2 1HE LYS 2 -23.909 0.603 -3.726
15 HE3 LYS 2 2HE LYS 2 -22.327 0.605 -2.948
16 HZ1 LYS 2 3HZ LYS 2 -22.039 -1.715 -3.598
17 HZ2 LYS 2 1HZ LYS 2 -22.405 -0.781 -4.943
18 HZ3 LYS 2 2HZ LYS 2 -23.583 -1.761 -4.257
19 H GLN 3 H GLN 3 -24.521 3.587 0.239
20 HA GLN 3 HA GLN 3 -22.773 4.947 0.577
21 HB2 GLN 3 1HB GLN 3 -23.597 4.560 3.465
22 HB3 GLN 3 2HB GLN 3 -22.520 5.832 2.900
23 HG2 GLN 3 1HG GLN 3 -24.332 6.710 1.485
24 HG3 GLN 3 2HG GLN 3 -25.395 5.450 2.098
25 HE21 GLN 3 2HE2 GLN 3 -23.744 8.389 2.836
26 HE22 GLN 3 1HE2 GLN 3 -24.602 8.758 4.284
27 H GLN 4 H GLN 4 -21.620 3.085 -0.208
28 HA GLN 4 HA GLN 4 -19.803 1.892 -0.399
29 HB2 GLN 4 1HB GLN 4 -18.964 3.627 1.812
30 HB3 GLN 4 2HB GLN 4 -18.067 2.121 1.659
31 HG2 GLN 4 1HG GLN 4 -18.463 4.181 -0.496
32 HG3 GLN 4 2HG GLN 4 -16.975 3.873 0.409
33 HE21 GLN 4 2HE2 GLN 4 -17.408 3.706 -2.438
34 HE22 GLN 4 1HE2 GLN 4 -17.038 2.098 -2.921
35 H GLU 5 H GLU 5 -18.979 -0.017 -0.076
36 HA GLU 5 HA GLU 5 -20.527 -1.696 1.719
37 HB2 GLU 5 1HB GLU 5 -18.703 -2.322 -0.593
38 HB3 GLU 5 2HB GLU 5 -19.499 -3.549 0.386
39 HG2 GLU 5 1HG GLU 5 -21.670 -2.722 -0.252
40 HG3 GLU 5 2HG GLU 5 -20.925 -1.394 -1.137
41 H SER 6 H SER 6 -17.866 0.012 1.968
42 HA SER 6 HA SER 6 -16.332 0.210 3.585
43 HB2 SER 6 1HB SER 6 -17.621 -2.224 4.823
44 HB3 SER 6 2HB SER 6 -16.558 -1.074 5.637
45 HG SER 6 HG SER 6 -18.346 0.429 4.591
46 H SER 7 H SER 7 -16.286 -2.295 1.468
47 HA SER 7 HA SER 7 -13.790 -3.413 2.422
48 HB2 SER 7 1HB SER 7 -15.305 -3.985 -0.134
49 HB3 SER 7 2HB SER 7 -13.998 -4.943 0.557
50 HG SER 7 HG SER 7 -16.029 -4.515 2.313
51 H GLN 8 H GLN 8 -12.557 -1.538 2.288
52 HA GLN 8 HA GLN 8 -12.074 -0.526 -0.438
53 HB2 GLN 8 1HB GLN 8 -12.089 0.982 2.157
54 HB3 GLN 8 2HB GLN 8 -11.562 1.631 0.609
55 HG2 GLN 8 1HG GLN 8 -13.780 1.388 -0.293
56 HG3 GLN 8 2HG GLN 8 -14.323 0.572 1.168
57 HE21 GLN 8 2HE2 GLN 8 -12.189 3.308 1.229
58 HE22 GLN 8 1HE2 GLN 8 -13.299 4.425 1.920
59 H TYR 9 H TYR 9 -10.698 -2.463 1.667
60 HA TYR 9 HA TYR 9 -8.096 -1.150 1.447
61 HB2 TYR 9 1HB TYR 9 -8.682 -3.408 3.413
62 HB3 TYR 9 2HB TYR 9 -7.352 -2.305 3.340
63 HD1 TYR 9 HD1 TYR 9 -7.430 -0.079 4.218
64 HD2 TYR 9 HD2 TYR 9 -10.879 -2.563 4.297
65 HE1 TYR 9 HE1 TYR 9 -8.511 1.469 5.804
66 HE2 TYR 9 HE2 TYR 9 -11.961 -1.027 5.865
67 HH TYR 9 HH TYR 9 -11.245 0.575 7.530
68 H ILE 10 H ILE 10 -6.363 -2.426 0.781
69 HA ILE 10 HA ILE 10 -7.106 -4.917 -0.466
70 HB ILE 10 HB ILE 10 -6.967 -2.862 -2.027
71 HG12 ILE 10 1HG1 ILE 10 -5.714 -4.106 -3.781
72 HG13 ILE 10 2HG1 ILE 10 -5.247 -5.273 -2.541
73 HG21 ILE 10 1HG2 ILE 10 -4.746 -2.177 -2.767
74 HG22 ILE 10 2HG2 ILE 10 -4.030 -3.178 -1.503
75 HG23 ILE 10 3HG2 ILE 10 -5.033 -1.793 -1.070
76 HD11 ILE 10 3HD1 ILE 10 -7.175 -6.062 -3.811
77 HD12 ILE 10 1HD1 ILE 10 -8.048 -4.590 -3.357
78 HD13 ILE 10 2HD1 ILE 10 -7.586 -5.745 -2.116
79 H HIS 11 H HIS 11 -5.107 -6.247 -0.781
80 HA HIS 11 HA HIS 11 -3.456 -5.953 1.579
81 HB2 HIS 11 1HB HIS 11 -4.469 -8.150 0.934
82 HB3 HIS 11 2HB HIS 11 -3.453 -8.148 -0.499
83 HD1 HIS 11 HD1 HIS 11 -3.236 -8.418 3.242
84 HD2 HIS 11 HD2 HIS 11 -0.839 -9.014 -0.093
85 HE1 HIS 11 HE1 HIS 11 -1.188 -9.575 4.090
86 HE2 HIS 11 HE2 HIS 11 0.036 -10.227 2.010
87 H CYS 12 H CYS 12 -1.644 -4.782 1.449
88 HA CYS 12 HA CYS 12 -0.356 -4.190 -1.007
89 HB2 CYS 12 1HB CYS 12 -0.260 -2.722 1.066
90 HB3 CYS 12 2HB CYS 12 0.714 -4.011 1.797
91 H GLU 13 H GLU 13 1.063 -5.406 -1.962
92 HA GLU 13 HA GLU 13 1.886 -7.972 -0.867
93 HB2 GLU 13 1HB GLU 13 2.915 -6.756 -3.427
94 HB3 GLU 13 2HB GLU 13 2.737 -8.447 -3.016
95 HG2 GLU 13 1HG GLU 13 1.119 -8.038 -4.641
96 HG3 GLU 13 2HG GLU 13 0.227 -8.039 -3.120
97 H ASN 14 H ASN 14 2.835 -4.846 -0.955
98 HA ASN 14 HA ASN 14 5.666 -5.295 -1.180
99 HB2 ASN 14 1HB ASN 14 3.930 -2.860 -1.250
100 HB3 ASN 14 2HB ASN 14 5.675 -2.671 -0.916
101 HD21 ASN 14 2HD2 ASN 14 3.212 -3.655 -3.223
102 HD22 ASN 14 1HD2 ASN 14 4.264 -3.657 -4.573
103 H CYS 15 H CYS 15 3.450 -4.768 1.382
104 HA CYS 15 HA CYS 15 5.693 -5.320 3.162
105 HB2 CYS 15 1HB CYS 15 4.766 -3.769 4.911
106 HB3 CYS 15 2HB CYS 15 5.452 -2.927 3.509
107 H GLY 16 H GLY 16 2.909 -6.407 2.036
108 HA2 GLY 16 1HA GLY 16 1.356 -7.925 2.739
109 HA3 GLY 16 2HA GLY 16 2.441 -8.224 4.093
110 H ARG 17 H ARG 17 0.704 -5.310 3.178
111 HA ARG 17 HA ARG 17 -0.498 -5.432 5.843
112 HB2 ARG 17 1HB ARG 17 1.348 -3.924 5.883
113 HB3 ARG 17 2HB ARG 17 0.777 -3.014 4.523
114 HG2 ARG 17 1HG ARG 17 -1.168 -2.349 5.881
115 HG3 ARG 17 2HG ARG 17 -0.486 -3.258 7.233
116 HD2 ARG 17 1HD ARG 17 1.508 -1.834 7.178
117 HD3 ARG 17 2HD ARG 17 0.812 -0.918 5.838
118 HE ARG 17 HE ARG 17 -0.936 -1.030 8.042
119 HH11 ARG 17 1HH1 ARG 17 1.980 0.673 6.910
120 HH12 ARG 17 2HH1 ARG 17 1.680 2.051 7.868
121 HH21 ARG 17 1HH2 ARG 17 -1.306 0.898 9.326
122 HH22 ARG 17 2HH2 ARG 17 -0.181 2.168 9.270
123 H ASP 18 H ASP 18 -2.576 -4.450 6.122
124 HA ASP 18 HA ASP 18 -4.290 -4.521 3.785
125 HB2 ASP 18 1HB ASP 18 -4.885 -5.551 6.037
126 HB3 ASP 18 2HB ASP 18 -4.789 -3.847 6.604
127 H VAL 19 H VAL 19 -4.191 -2.713 2.730
128 HA VAL 19 HA VAL 19 -4.361 -0.176 4.221
129 HB VAL 19 HB VAL 19 -2.584 -0.608 1.799
130 HG11 VAL 19 1HG1 VAL 19 -3.441 1.678 1.914
131 HG12 VAL 19 2HG1 VAL 19 -1.716 1.638 2.274
132 HG13 VAL 19 3HG1 VAL 19 -2.887 1.812 3.583
133 HG21 VAL 19 3HG2 VAL 19 -0.699 -0.453 3.324
134 HG22 VAL 19 1HG2 VAL 19 -1.815 -1.726 3.844
135 HG23 VAL 19 2HG2 VAL 19 -1.825 -0.195 4.681
136 H SER 20 H SER 20 -5.651 1.389 3.351
137 HA SER 20 HA SER 20 -7.797 0.932 1.786
138 HB2 SER 20 1HB SER 20 -6.197 3.474 1.934
139 HB3 SER 20 2HB SER 20 -7.911 3.356 1.543
140 HG SER 20 HG SER 20 -8.370 2.869 3.574
141 H ALA 21 H ALA 21 -8.089 0.457 -0.236
142 HA ALA 21 HA ALA 21 -6.071 -0.030 -2.101
143 HB1 ALA 21 3HB ALA 21 -9.019 0.298 -2.574
144 HB2 ALA 21 1HB ALA 21 -8.224 -1.186 -2.061
145 HB3 ALA 21 2HB ALA 21 -7.881 -0.507 -3.657
146 H ASN 22 H ASN 22 -8.252 2.684 -1.760
147 HA ASN 22 HA ASN 22 -7.665 3.993 -4.201
148 HB2 ASN 22 1HB ASN 22 -9.664 4.474 -2.889
149 HB3 ASN 22 2HB ASN 22 -8.658 5.075 -1.575
150 HD21 ASN 22 2HD2 ASN 22 -9.851 5.713 -4.774
151 HD22 ASN 22 1HD2 ASN 22 -9.495 7.402 -4.783
152 H ARG 23 H ARG 23 -5.946 3.731 -1.285
153 HA ARG 23 HA ARG 23 -4.246 6.043 -1.911
154 HB2 ARG 23 1HB ARG 23 -5.487 6.267 0.143
155 HB3 ARG 23 2HB ARG 23 -4.975 4.683 0.682
156 HG2 ARG 23 1HG ARG 23 -2.715 5.501 0.988
157 HG3 ARG 23 2HG ARG 23 -3.174 7.073 0.328
158 HD2 ARG 23 1HD ARG 23 -3.110 6.959 2.840
159 HD3 ARG 23 2HD ARG 23 -4.627 7.509 2.112
160 HE ARG 23 HE ARG 23 -5.615 5.446 2.592
161 HH11 ARG 23 1HH1 ARG 23 -2.455 5.832 4.256
162 HH12 ARG 23 2HH1 ARG 23 -2.805 4.642 5.411
163 HH21 ARG 23 1HH2 ARG 23 -6.032 3.814 4.229
164 HH22 ARG 23 2HH2 ARG 23 -4.891 3.469 5.407
165 H LEU 24 H LEU 24 -4.237 2.970 -2.671
166 HA LEU 24 HA LEU 24 -2.015 1.914 -1.243
167 HB2 LEU 24 1HB LEU 24 -3.868 0.583 -2.464
168 HB3 LEU 24 2HB LEU 24 -2.913 0.825 -3.905
169 HG LEU 24 HG LEU 24 -2.627 -1.408 -2.873
170 HD11 LEU 24 1HD1 LEU 24 -0.086 -1.482 -2.801
171 HD12 LEU 24 2HD1 LEU 24 -0.135 0.258 -3.029
172 HD13 LEU 24 3HD1 LEU 24 -0.813 -0.802 -4.254
173 HD21 LEU 24 3HD2 LEU 24 -1.360 -1.689 -0.804
174 HD22 LEU 24 1HD2 LEU 24 -2.864 -0.815 -0.538
175 HD23 LEU 24 2HD2 LEU 24 -1.330 0.055 -0.579
176 H ALA 25 H ALA 25 -2.293 3.399 -4.409
177 HA ALA 25 HA ALA 25 0.392 3.010 -5.183
178 HB1 ALA 25 3HB ALA 25 0.064 4.724 -6.858
179 HB2 ALA 25 1HB ALA 25 -1.367 5.323 -6.023
180 HB3 ALA 25 2HB ALA 25 -1.380 3.724 -6.764
181 H ALA 26 H ALA 26 -1.116 5.693 -3.439
182 HA ALA 26 HA ALA 26 1.248 7.275 -3.206
183 HB1 ALA 26 3HB ALA 26 -1.208 7.208 -1.434
184 HB2 ALA 26 1HB ALA 26 -0.996 8.226 -2.859
185 HB3 ALA 26 2HB ALA 26 0.015 8.480 -1.439
186 H HIS 27 H HIS 27 -0.325 4.890 -1.222
187 HA HIS 27 HA HIS 27 1.457 4.836 0.907
188 HB2 HIS 27 1HB HIS 27 -0.637 3.642 1.159
189 HB3 HIS 27 2HB HIS 27 -0.314 2.709 -0.277
190 HD1 HIS 27 HD1 HIS 27 0.961 2.931 3.319
191 HD2 HIS 27 HD2 HIS 27 1.078 0.460 -0.008
192 HE1 HIS 27 HE1 HIS 27 2.236 0.896 4.042
193 H LEU 28 H LEU 28 1.495 3.174 -2.189
194 HA LEU 28 HA LEU 28 3.765 1.624 -1.654
195 HB2 LEU 28 1HB LEU 28 2.008 2.015 -3.869
196 HB3 LEU 28 2HB LEU 28 3.692 2.213 -4.372
197 HG LEU 28 HG LEU 28 2.699 -0.128 -4.601
198 HD11 LEU 28 1HD1 LEU 28 5.078 0.377 -4.797
199 HD12 LEU 28 2HD1 LEU 28 4.833 -1.144 -3.931
200 HD13 LEU 28 3HD1 LEU 28 5.228 0.328 -3.043
201 HD21 LEU 28 3HD2 LEU 28 1.695 -0.047 -2.277
202 HD22 LEU 28 1HD2 LEU 28 3.312 -0.250 -1.643
203 HD23 LEU 28 2HD2 LEU 28 2.607 -1.509 -2.656
204 H GLN 29 H GLN 29 3.351 4.855 -2.847
205 HA GLN 29 HA GLN 29 6.043 5.235 -3.568
206 HB2 GLN 29 1HB GLN 29 4.173 7.323 -2.404
207 HB3 GLN 29 2HB GLN 29 5.657 7.644 -3.283
208 HG2 GLN 29 1HG GLN 29 3.099 6.489 -4.365
209 HG3 GLN 29 2HG GLN 29 3.818 8.052 -4.748
210 HE21 GLN 29 2HE2 GLN 29 3.817 4.678 -5.373
211 HE22 GLN 29 1HE2 GLN 29 4.955 4.685 -6.663
212 H ARG 30 H ARG 30 4.315 5.655 -0.501
213 HA ARG 30 HA ARG 30 6.600 6.421 1.067
214 HB2 ARG 30 1HB ARG 30 4.295 6.861 1.787
215 HB3 ARG 30 2HB ARG 30 3.975 5.137 1.864
216 HG2 ARG 30 1HG ARG 30 4.307 5.938 4.098
217 HG3 ARG 30 2HG ARG 30 5.700 4.958 3.655
218 HD2 ARG 30 1HD ARG 30 6.493 6.904 4.795
219 HD3 ARG 30 2HD ARG 30 6.907 7.069 3.091
220 HE ARG 30 HE ARG 30 4.450 8.295 3.499
221 HH11 ARG 30 1HH1 ARG 30 7.865 8.815 4.273
222 HH12 ARG 30 2HH1 ARG 30 7.696 10.475 4.605
223 HH21 ARG 30 1HH2 ARG 30 4.217 10.596 3.928
224 HH22 ARG 30 2HH2 ARG 30 5.595 11.506 4.391
225 H CYS 31 H CYS 31 5.017 3.393 0.384
226 HA CYS 31 HA CYS 31 6.374 1.781 2.131
227 HB2 CYS 31 1HB CYS 31 4.239 1.318 0.766
228 HB3 CYS 31 2HB CYS 31 5.306 0.890 -0.554
229 H LEU 32 H LEU 32 7.066 2.697 -1.239
230 HA LEU 32 HA LEU 32 9.432 1.072 -1.306
231 HB2 LEU 32 1HB LEU 32 7.604 2.060 -3.251
232 HB3 LEU 32 2HB LEU 32 9.216 2.627 -3.662
233 HG LEU 32 HG LEU 32 8.718 0.535 -4.796
234 HD11 LEU 32 1HD1 LEU 32 10.768 0.184 -2.616
235 HD12 LEU 32 2HD1 LEU 32 11.008 1.001 -4.152
236 HD13 LEU 32 3HD1 LEU 32 10.678 -0.734 -4.119
237 HD21 LEU 32 3HD2 LEU 32 8.430 -1.547 -3.547
238 HD22 LEU 32 1HD2 LEU 32 7.134 -0.409 -3.199
239 HD23 LEU 32 2HD2 LEU 32 8.432 -0.645 -2.030
240 H SER 33 H SER 33 8.714 4.348 -0.597
241 HA SER 33 HA SER 33 11.358 5.341 -1.124
242 HB2 SER 33 1HB SER 33 9.165 6.346 0.700
243 HB3 SER 33 2HB SER 33 10.656 7.228 0.416
244 HG SER 33 HG SER 33 8.728 6.447 -1.517
245 H ARG 34 H ARG 34 10.222 3.129 0.937
246 HA ARG 34 HA ARG 34 12.154 3.668 3.061
247 HB2 ARG 34 1HB ARG 34 9.527 2.227 3.024
248 HB3 ARG 34 2HB ARG 34 10.670 2.103 4.349
249 HG2 ARG 34 1HG ARG 34 10.388 4.364 4.931
250 HG3 ARG 34 2HG ARG 34 9.561 4.727 3.409
251 HD2 ARG 34 1HD ARG 34 8.075 4.490 5.431
252 HD3 ARG 34 2HD ARG 34 7.649 3.490 4.043
253 HE ARG 34 HE ARG 34 9.379 2.233 5.988
254 HH11 ARG 34 1HH1 ARG 34 5.984 2.795 5.210
255 HH12 ARG 34 2HH1 ARG 34 5.420 1.323 5.854
256 HH21 ARG 34 1HH2 ARG 34 8.638 0.222 6.855
257 HH22 ARG 34 2HH2 ARG 34 6.987 -0.206 6.810
258 H GLY 35 H GLY 35 13.175 1.752 3.892
259 HA2 GLY 35 1HA GLY 35 13.422 -0.338 1.848
260 HA3 GLY 35 2HA GLY 35 14.708 0.122 2.963
261 H ALA 36 H ALA 36 12.713 -2.291 2.359
262 HA ALA 36 HA ALA 36 11.813 -2.762 5.058
263 HB1 ALA 36 3HB ALA 36 10.412 -3.505 3.165
264 HB2 ALA 36 1HB ALA 36 10.883 -4.858 4.195
265 HB3 ALA 36 2HB ALA 36 11.697 -4.603 2.656
266 H ARG 37 H ARG 37 13.639 -4.878 2.893
267 HA ARG 37 HA ARG 37 15.198 -5.768 5.203
268 HB2 ARG 37 1HB ARG 37 15.162 -6.790 2.360
269 HB3 ARG 37 2HB ARG 37 16.063 -7.502 3.688
270 HG2 ARG 37 1HG ARG 37 13.960 -8.019 4.832
271 HG3 ARG 37 2HG ARG 37 13.065 -7.316 3.484
272 HD2 ARG 37 1HD ARG 37 13.139 -9.720 3.206
273 HD3 ARG 37 2HD ARG 37 14.118 -8.924 1.978
274 HE ARG 37 HE ARG 37 15.622 -9.695 4.278
275 HH11 ARG 37 1HH1 ARG 37 14.409 -10.805 1.130
276 HH12 ARG 37 2HH1 ARG 37 15.576 -12.039 0.980
277 HH21 ARG 37 1HH2 ARG 37 17.215 -11.392 4.047
278 HH22 ARG 37 2HH2 ARG 37 17.196 -12.375 2.658
279 H ARG 38 H ARG 38 15.369 -3.919 2.340
280 HA ARG 38 HA ARG 38 18.214 -3.418 2.776
281 HB2 ARG 38 1HB ARG 38 16.664 -3.514 0.173
282 HB3 ARG 38 2HB ARG 38 18.319 -2.936 0.318
283 HG2 ARG 38 1HG ARG 38 19.075 -5.110 1.002
284 HG3 ARG 38 2HG ARG 38 17.418 -5.704 1.070
285 HD2 ARG 38 1HD ARG 38 18.803 -4.729 -1.426
286 HD3 ARG 38 2HD ARG 38 18.663 -6.420 -0.962
287 HE ARG 38 HE ARG 38 16.496 -4.650 -1.843
288 HH11 ARG 38 1HH1 ARG 38 17.492 -7.906 -0.818
289 HH12 ARG 38 2HH1 ARG 38 16.209 -8.697 -1.593
290 HH21 ARG 38 1HH2 ARG 38 14.717 -5.768 -2.909
291 HH22 ARG 38 2HH2 ARG 38 14.581 -7.467 -2.794