Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653882 | 7atb RC | 34569 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 28 HT1 ARG 28 22.840 7.725 0.456
2 H2 ARG 28 HT2 ARG 28 23.549 6.551 1.447
3 H3 ARG 28 HT3 ARG 28 24.045 8.164 1.560
4 HA ARG 28 HA ARG 28 22.629 7.597 3.407
5 HB2 ARG 28 HB2 ARG 28 22.580 9.890 2.480
6 HB3 ARG 28 HB1 ARG 28 21.260 9.420 1.417
7 HG2 ARG 28 HG2 ARG 28 20.349 10.602 3.279
8 HG3 ARG 28 HG1 ARG 28 19.897 8.903 3.428
9 HD2 ARG 28 HD2 ARG 28 20.596 9.802 5.579
10 HD3 ARG 28 HD1 ARG 28 21.720 8.561 5.025
11 HE ARG 28 HE ARG 28 22.692 11.035 4.180
12 HH11 ARG 28 HH11 ARG 28 22.119 9.314 7.156
13 HH12 ARG 28 HH12 ARG 28 23.388 10.121 8.016
14 HH21 ARG 28 HH21 ARG 28 24.362 12.100 5.303
15 HH22 ARG 28 HH22 ARG 28 24.663 11.704 6.962
16 H ARG 29 HN ARG 29 20.717 7.555 0.396
17 HA ARG 29 HA ARG 29 18.483 6.265 1.514
18 HB2 ARG 29 HB2 ARG 29 19.432 6.361 -1.353
19 HB3 ARG 29 HB1 ARG 29 17.846 5.802 -0.844
20 HG2 ARG 29 HG2 ARG 29 17.349 8.015 0.057
21 HG3 ARG 29 HG1 ARG 29 18.945 8.578 -0.447
22 HD2 ARG 29 HD2 ARG 29 18.379 8.128 -2.775
23 HD3 ARG 29 HD1 ARG 29 16.797 7.523 -2.285
24 HE ARG 29 HE ARG 29 17.090 10.127 -1.304
25 HH11 ARG 29 HH11 ARG 29 16.783 8.458 -4.345
26 HH12 ARG 29 HH12 ARG 29 16.023 9.791 -5.148
27 HH21 ARG 29 HH21 ARG 29 16.094 11.889 -2.350
28 HH22 ARG 29 HH22 ARG 29 15.631 11.743 -4.013
29 H CYS 30 HN CYS 30 18.170 4.227 2.099
30 HA CYS 30 HA CYS 30 20.184 2.230 1.422
31 HB2 CYS 30 HB2 CYS 30 17.864 2.125 3.362
32 HB3 CYS 30 HB1 CYS 30 19.056 0.848 3.143
33 HG CYS 30 HG CYS 30 19.222 3.586 4.996
34 H LEU 31 HN LEU 31 19.881 1.124 -0.389
35 HA LEU 31 HA LEU 31 17.482 0.927 -1.807
36 HB2 LEU 31 HB2 LEU 31 18.582 -0.688 -3.203
37 HB3 LEU 31 HB1 LEU 31 19.721 0.578 -2.789
38 HG LEU 31 HG LEU 31 19.651 -2.019 -1.273
39 HD11 LEU 31 HD11 LEU 31 21.448 -2.813 -2.736
40 HD12 LEU 31 HD12 LEU 31 21.230 -1.398 -3.766
41 HD13 LEU 31 HD13 LEU 31 19.938 -2.590 -3.618
42 HD21 LEU 31 HD21 LEU 31 22.021 -1.413 -0.859
43 HD22 LEU 31 HD22 LEU 31 20.874 -0.244 -0.205
44 HD23 LEU 31 HD23 LEU 31 21.741 0.113 -1.698
45 H PHE 32 HN PHE 32 18.738 -0.981 0.808
46 HA PHE 32 HA PHE 32 17.018 -3.232 0.384
47 HB2 PHE 32 HB2 PHE 32 18.653 -2.373 2.777
48 HB3 PHE 32 HB1 PHE 32 17.750 -3.882 2.694
49 HD1 PHE 32 HD1 PHE 32 18.413 -5.633 1.093
50 HD2 PHE 32 HD2 PHE 32 20.735 -2.113 1.663
51 HE1 PHE 32 HE1 PHE 32 20.331 -6.727 0.007
52 HE2 PHE 32 HE2 PHE 32 22.657 -3.199 0.578
53 HZ PHE 32 HZ PHE 32 22.457 -5.510 -0.252
54 H LEU 33 HN LEU 33 17.013 -0.491 2.651
55 HA LEU 33 HA LEU 33 14.601 -1.212 3.941
56 HB2 LEU 33 HB2 LEU 33 15.932 1.477 3.680
57 HB3 LEU 33 HB1 LEU 33 14.601 1.120 4.763
58 HG LEU 33 HG LEU 33 17.393 -0.018 4.900
59 HD11 LEU 33 HD11 LEU 33 17.432 1.122 7.069
60 HD12 LEU 33 HD12 LEU 33 15.833 1.784 6.734
61 HD13 LEU 33 HD13 LEU 33 17.205 2.246 5.730
62 HD21 LEU 33 HD21 LEU 33 16.621 -1.156 6.945
63 HD22 LEU 33 HD22 LEU 33 15.811 -1.756 5.498
64 HD23 LEU 33 HD23 LEU 33 14.970 -0.650 6.584
65 H SER 34 HN SER 34 15.319 0.582 1.038
66 HA SER 34 HA SER 34 12.800 1.836 0.721
67 HB2 SER 34 HB2 SER 34 14.855 1.060 -1.366
68 HB3 SER 34 HB1 SER 34 13.493 2.147 -1.638
69 HG SER 34 HG SER 34 15.504 3.217 -1.144
70 H LEU 35 HN LEU 35 14.126 -1.245 -0.373
71 HA LEU 35 HA LEU 35 11.997 -2.044 -2.014
72 HB2 LEU 35 HB2 LEU 35 14.292 -3.092 -1.825
73 HB3 LEU 35 HB1 LEU 35 13.749 -3.851 -0.345
74 HG LEU 35 HG LEU 35 13.736 -5.265 -2.464
75 HD11 LEU 35 HD11 LEU 35 11.092 -5.094 -1.046
76 HD12 LEU 35 HD12 LEU 35 12.543 -5.784 -0.321
77 HD13 LEU 35 HD13 LEU 35 11.850 -6.512 -1.769
78 HD21 LEU 35 HD21 LEU 35 11.800 -5.067 -3.914
79 HD22 LEU 35 HD22 LEU 35 12.753 -3.584 -3.951
80 HD23 LEU 35 HD23 LEU 35 11.254 -3.647 -3.024
81 H PHE 36 HN PHE 36 12.499 -2.250 1.453
82 HA PHE 36 HA PHE 36 10.226 -3.914 1.948
83 HB2 PHE 36 HB2 PHE 36 12.213 -3.743 3.466
84 HB3 PHE 36 HB1 PHE 36 11.686 -2.120 3.896
85 HD1 PHE 36 HD1 PHE 36 10.776 -5.692 4.040
86 HD2 PHE 36 HD2 PHE 36 9.982 -1.771 5.488
87 HE1 PHE 36 HE1 PHE 36 9.335 -6.638 5.796
88 HE2 PHE 36 HE2 PHE 36 8.540 -2.709 7.247
89 HZ PHE 36 HZ PHE 36 8.215 -5.144 7.402
90 H SER 37 HN SER 37 10.701 -0.576 1.361
91 HA SER 37 HA SER 37 8.391 0.382 2.755
92 HB2 SER 37 HB2 SER 37 10.017 1.668 0.548
93 HB3 SER 37 HB1 SER 37 8.800 2.486 1.527
94 HG SER 37 HG SER 37 10.411 2.869 2.817
95 H PHE 38 HN PHE 38 9.080 -0.682 -0.530
96 HA PHE 38 HA PHE 38 6.677 0.190 -1.720
97 HB2 PHE 38 HB2 PHE 38 8.468 -2.127 -2.450
98 HB3 PHE 38 HB1 PHE 38 7.178 -1.502 -3.470
99 HD1 PHE 38 HD1 PHE 38 7.338 1.122 -3.897
100 HD2 PHE 38 HD2 PHE 38 10.600 -1.410 -2.874
101 HE1 PHE 38 HE1 PHE 38 8.901 2.740 -4.891
102 HE2 PHE 38 HE2 PHE 38 12.170 0.205 -3.861
103 HZ PHE 38 HZ PHE 38 11.321 2.284 -4.873
104 H LEU 39 HN LEU 39 7.459 -2.545 0.267
105 HA LEU 39 HA LEU 39 5.147 -4.083 -0.420
106 HB2 LEU 39 HB2 LEU 39 7.321 -4.959 0.564
107 HB3 LEU 39 HB1 LEU 39 6.778 -4.321 2.104
108 HG LEU 39 HG LEU 39 4.983 -6.172 0.618
109 HD11 LEU 39 HD11 LEU 39 7.382 -7.046 2.222
110 HD12 LEU 39 HD12 LEU 39 7.131 -7.294 0.495
111 HD13 LEU 39 HD13 LEU 39 6.086 -8.103 1.662
112 HD21 LEU 39 HD21 LEU 39 4.383 -6.855 2.895
113 HD22 LEU 39 HD22 LEU 39 4.201 -5.116 2.669
114 HD23 LEU 39 HD23 LEU 39 5.596 -5.749 3.541
115 H ILE 40 HN ILE 40 5.933 -1.636 1.941
116 HA ILE 40 HA ILE 40 3.548 -2.011 3.498
117 HB ILE 40 HB ILE 40 5.462 0.328 3.448
118 HG12 ILE 40 HG12 ILE 40 5.300 -1.988 5.389
119 HG13 ILE 40 HG11 ILE 40 6.479 -1.862 4.087
120 HG21 ILE 40 HG21 ILE 40 4.497 0.878 5.642
121 HG22 ILE 40 HG22 ILE 40 3.330 -0.428 5.444
122 HG23 ILE 40 HG23 ILE 40 3.298 0.956 4.351
123 HD11 ILE 40 HD11 ILE 40 7.397 0.149 5.105
124 HD12 ILE 40 HD12 ILE 40 7.430 -1.211 6.228
125 HD13 ILE 40 HD13 ILE 40 6.203 0.046 6.399
126 H VAL 41 HN VAL 41 4.610 0.159 0.920
127 HA VAL 41 HA VAL 41 2.366 1.878 1.006
128 HB VAL 41 HB VAL 41 4.588 2.343 -0.134
129 HG11 VAL 41 HG11 VAL 41 3.300 0.731 -2.324
130 HG12 VAL 41 HG12 VAL 41 4.750 0.301 -1.421
131 HG13 VAL 41 HG13 VAL 41 4.763 1.704 -2.487
132 HG21 VAL 41 HG21 VAL 41 2.014 2.877 -1.614
133 HG22 VAL 41 HG22 VAL 41 3.535 3.726 -1.892
134 HG23 VAL 41 HG23 VAL 41 2.722 3.862 -0.333
135 H LEU 42 HN LEU 42 2.966 -1.201 -0.522
136 HA LEU 42 HA LEU 42 0.618 -1.066 -2.194
137 HB2 LEU 42 HB2 LEU 42 2.736 -2.337 -2.747
138 HB3 LEU 42 HB1 LEU 42 2.260 -3.504 -1.519
139 HG LEU 42 HG LEU 42 0.375 -2.863 -3.758
140 HD11 LEU 42 HD11 LEU 42 2.675 -4.806 -3.905
141 HD12 LEU 42 HD12 LEU 42 2.493 -3.331 -4.855
142 HD13 LEU 42 HD13 LEU 42 1.365 -4.668 -5.078
143 HD21 LEU 42 HD21 LEU 42 -0.454 -4.217 -1.926
144 HD22 LEU 42 HD22 LEU 42 0.910 -5.322 -2.094
145 HD23 LEU 42 HD23 LEU 42 -0.292 -5.204 -3.378
146 H LEU 43 HN LEU 43 1.593 -2.807 0.742
147 HA LEU 43 HA LEU 43 -0.740 -4.280 1.130
148 HB2 LEU 43 HB2 LEU 43 1.334 -4.648 2.385
149 HB3 LEU 43 HB1 LEU 43 1.115 -3.115 3.208
150 HG LEU 43 HG LEU 43 -1.007 -4.020 4.185
151 HD11 LEU 43 HD11 LEU 43 -1.355 -6.435 4.146
152 HD12 LEU 43 HD12 LEU 43 -0.002 -6.617 3.029
153 HD13 LEU 43 HD13 LEU 43 -1.451 -5.747 2.525
154 HD21 LEU 43 HD21 LEU 43 0.117 -5.426 5.845
155 HD22 LEU 43 HD22 LEU 43 1.058 -3.983 5.468
156 HD23 LEU 43 HD23 LEU 43 1.525 -5.542 4.788
157 H LEU 44 HN LEU 44 -0.026 -0.926 1.816
158 HA LEU 44 HA LEU 44 -2.351 -0.503 3.443
159 HB2 LEU 44 HB2 LEU 44 -0.407 1.385 2.129
160 HB3 LEU 44 HB1 LEU 44 -1.773 1.937 3.080
161 HG LEU 44 HG LEU 44 0.466 0.200 4.125
162 HD11 LEU 44 HD11 LEU 44 1.175 2.209 5.328
163 HD12 LEU 44 HD12 LEU 44 -0.073 3.141 4.500
164 HD13 LEU 44 HD13 LEU 44 1.256 2.433 3.581
165 HD21 LEU 44 HD21 LEU 44 -1.808 1.581 5.547
166 HD22 LEU 44 HD22 LEU 44 -0.494 0.693 6.319
167 HD23 LEU 44 HD23 LEU 44 -1.648 -0.157 5.292
168 H THR 45 HN THR 45 -1.452 0.299 0.095
169 HA THR 45 HA THR 45 -3.810 1.633 -0.599
170 HB THR 45 HB THR 45 -3.232 0.853 -2.980
171 HG1 THR 45 HG1 THR 45 -0.671 0.301 -2.364
172 HG21 THR 45 HG21 THR 45 -1.177 2.367 -1.365
173 HG22 THR 45 HG22 THR 45 -2.634 3.051 -2.090
174 HG23 THR 45 HG23 THR 45 -1.350 2.415 -3.119
175 H THR 46 HN THR 46 -3.200 -1.729 -0.134
176 HA THR 46 HA THR 46 -5.288 -2.758 -1.756
177 HB THR 46 HB THR 46 -4.054 -4.007 0.707
178 HG1 THR 46 HG1 THR 46 -3.088 -3.571 -1.806
179 HG21 THR 46 HG21 THR 46 -4.830 -6.114 -0.195
180 HG22 THR 46 HG22 THR 46 -5.485 -5.303 -1.617
181 HG23 THR 46 HG23 THR 46 -6.203 -5.017 -0.031
182 H LEU 47 HN LEU 47 -5.090 -2.190 1.760
183 HA LEU 47 HA LEU 47 -7.886 -2.763 2.127
184 HB2 LEU 47 HB2 LEU 47 -5.892 -1.567 4.050
185 HB3 LEU 47 HB1 LEU 47 -7.479 -2.184 4.467
186 HG LEU 47 HG LEU 47 -5.222 -3.855 3.355
187 HD11 LEU 47 HD11 LEU 47 -5.059 -4.773 5.615
188 HD12 LEU 47 HD12 LEU 47 -6.267 -3.616 6.173
189 HD13 LEU 47 HD13 LEU 47 -4.703 -3.046 5.590
190 HD21 LEU 47 HD21 LEU 47 -6.638 -5.747 4.009
191 HD22 LEU 47 HD22 LEU 47 -7.415 -4.739 2.789
192 HD23 LEU 47 HD23 LEU 47 -7.914 -4.624 4.477
193 H PHE 48 HN PHE 48 -5.861 0.150 2.340
194 HA PHE 48 HA PHE 48 -7.764 1.993 3.098
195 HB2 PHE 48 HB2 PHE 48 -5.378 2.519 2.935
196 HB3 PHE 48 HB1 PHE 48 -5.461 2.413 1.181
197 HD1 PHE 48 HD1 PHE 48 -5.992 4.289 -0.091
198 HD2 PHE 48 HD2 PHE 48 -6.796 4.296 4.087
199 HE1 PHE 48 HE1 PHE 48 -6.554 6.682 -0.208
200 HE2 PHE 48 HE2 PHE 48 -7.358 6.688 3.979
201 HZ PHE 48 HZ PHE 48 -7.239 7.885 1.830
202 H CYS 49 HN CYS 49 -7.222 0.592 -0.077
203 HA CYS 49 HA CYS 49 -8.911 2.428 -1.468
204 HB2 CYS 49 HB2 CYS 49 -7.159 1.174 -2.637
205 HB3 CYS 49 HB1 CYS 49 -7.981 -0.338 -2.264
206 HG CYS 49 HG CYS 49 -9.008 2.109 -4.414
207 H LEU 50 HN LEU 50 -9.363 -0.686 0.091
208 HA LEU 50 HA LEU 50 -12.009 -1.116 -0.895
209 HB2 LEU 50 HB2 LEU 50 -10.666 -2.301 1.540
210 HB3 LEU 50 HB1 LEU 50 -12.112 -2.916 0.746
211 HG LEU 50 HG LEU 50 -9.490 -2.716 -0.715
212 HD11 LEU 50 HD11 LEU 50 -10.458 -5.163 0.745
213 HD12 LEU 50 HD12 LEU 50 -9.258 -4.052 1.406
214 HD13 LEU 50 HD13 LEU 50 -8.919 -4.929 -0.086
215 HD21 LEU 50 HD21 LEU 50 -11.483 -3.032 -2.069
216 HD22 LEU 50 HD22 LEU 50 -11.951 -4.420 -1.086
217 HD23 LEU 50 HD23 LEU 50 -10.494 -4.492 -2.077
218 H LEU 51 HN LEU 51 -10.623 0.604 1.776
219 HA LEU 51 HA LEU 51 -13.080 0.828 3.262
220 HB2 LEU 51 HB2 LEU 51 -10.464 2.313 3.536
221 HB3 LEU 51 HB1 LEU 51 -11.796 2.397 4.674
222 HG LEU 51 HG LEU 51 -10.241 -0.113 4.034
223 HD11 LEU 51 HD11 LEU 51 -8.846 1.519 5.183
224 HD12 LEU 51 HD12 LEU 51 -9.246 0.171 6.247
225 HD13 LEU 51 HD13 LEU 51 -10.080 1.714 6.427
226 HD21 LEU 51 HD21 LEU 51 -12.530 -0.554 4.742
227 HD22 LEU 51 HD22 LEU 51 -12.302 0.472 6.158
228 HD23 LEU 51 HD23 LEU 51 -11.383 -1.024 5.996
229 H HIS 52 HN HIS 52 -11.245 2.810 1.007
230 HA HIS 52 HA HIS 52 -12.914 5.124 1.341
231 HB2 HIS 52 HB2 HIS 52 -10.588 5.407 0.702
232 HB3 HIS 52 HB1 HIS 52 -10.835 4.440 -0.747
233 HD1 HIS 52 HD1 HIS 52 -11.532 7.829 0.694
234 HD2 HIS 52 HD2 HIS 52 -11.999 5.784 -2.893
235 HE1 HIS 52 HE1 HIS 52 -12.145 9.581 -1.003
236 HE2 HIS 52 HE2 HIS 52 -12.371 8.329 -3.178
237 H PHE 53 HN PHE 53 -12.439 2.769 -1.291
238 HA PHE 53 HA PHE 53 -14.417 3.772 -2.994
239 HB2 PHE 53 HB2 PHE 53 -12.610 2.084 -3.552
240 HB3 PHE 53 HB1 PHE 53 -13.625 0.866 -2.786
241 HD1 PHE 53 HD1 PHE 53 -15.715 0.165 -3.809
242 HD2 PHE 53 HD2 PHE 53 -13.190 3.033 -5.681
243 HE1 PHE 53 HE1 PHE 53 -16.934 -0.148 -5.922
244 HE2 PHE 53 HE2 PHE 53 -14.405 2.726 -7.798
245 HZ PHE 53 HZ PHE 53 -16.281 1.136 -7.920
246 H GLY 54 HN GLY 54 -14.657 1.806 -0.145
247 HA2 GLY 54 HA2 GLY 54 -16.505 1.134 1.052
248 HA3 GLY 54 HA1 GLY 54 -17.477 2.141 -0.009
249 H VAL 55 HN VAL 55 -15.429 -0.374 -1.261
250 HA VAL 55 HA VAL 55 -17.147 -1.588 -2.945
251 HB VAL 55 HB VAL 55 -15.436 -3.442 -1.358
252 HG11 VAL 55 HG11 VAL 55 -14.886 -4.294 -3.593
253 HG12 VAL 55 HG12 VAL 55 -15.893 -3.034 -4.309
254 HG13 VAL 55 HG13 VAL 55 -16.625 -4.279 -3.295
255 HG21 VAL 55 HG21 VAL 55 -14.054 -1.471 -1.411
256 HG22 VAL 55 HG22 VAL 55 -14.354 -1.262 -3.138
257 HG23 VAL 55 HG23 VAL 55 -13.426 -2.648 -2.564
258 H ILE 56 HN ILE 56 -16.457 -3.188 0.134
259 HA ILE 56 HA ILE 56 -19.299 -3.630 0.599
260 HB ILE 56 HB ILE 56 -18.494 -6.106 1.176
261 HG12 ILE 56 HG12 ILE 56 -17.098 -6.925 -0.748
262 HG13 ILE 56 HG11 ILE 56 -16.770 -5.243 -1.152
263 HG21 ILE 56 HG21 ILE 56 -19.491 -6.812 -0.958
264 HG22 ILE 56 HG22 ILE 56 -19.377 -5.152 -1.544
265 HG23 ILE 56 HG23 ILE 56 -20.422 -5.534 -0.175
266 HD11 ILE 56 HD11 ILE 56 -14.939 -6.219 0.100
267 HD12 ILE 56 HD12 ILE 56 -16.037 -6.620 1.422
268 HD13 ILE 56 HD13 ILE 56 -15.712 -4.932 1.026
269 H GLY 57 HN GLY 57 -16.552 -2.571 1.776
270 HA2 GLY 57 HA2 GLY 57 -17.271 -3.262 4.527
271 HA3 GLY 57 HA1 GLY 57 -15.628 -3.596 3.997
272 HA PRO 58 HA PRO 58 -15.904 1.173 3.919
273 HB2 PRO 58 HB2 PRO 58 -18.209 2.417 4.515
274 HB3 PRO 58 HB1 PRO 58 -17.875 1.803 2.891
275 HG2 PRO 58 HG2 PRO 58 -19.534 0.596 5.070
276 HG3 PRO 58 HG1 PRO 58 -19.876 0.705 3.335
277 HD2 PRO 58 HD2 PRO 58 -18.899 -1.542 4.552
278 HD3 PRO 58 HD1 PRO 58 -18.612 -1.143 2.847
279 H GLN 59 HN GLN 59 -14.803 0.198 5.920
280 HA GLN 59 HA GLN 59 -16.096 0.872 8.437
281 HB2 GLN 59 HB2 GLN 59 -13.375 -0.325 7.874
282 HB3 GLN 59 HB1 GLN 59 -14.071 -0.103 9.473
283 HG2 GLN 59 HG2 GLN 59 -15.921 -1.613 8.827
284 HG3 GLN 59 HG1 GLN 59 -15.102 -1.899 7.291
285 HE21 GLN 59 HE21 GLN 59 -14.821 -4.080 7.670
286 HE22 GLN 59 HE22 GLN 59 -13.705 -4.688 8.841
287 H ARG 60 HN ARG 60 -15.774 3.128 6.965
288 HA ARG 60 HA ARG 60 -13.309 4.469 7.513
289 HB2 ARG 60 HB2 ARG 60 -14.761 5.038 5.587
290 HB3 ARG 60 HB1 ARG 60 -15.979 5.637 6.706
291 HG2 ARG 60 HG2 ARG 60 -14.315 7.296 7.527
292 HG3 ARG 60 HG1 ARG 60 -13.222 6.755 6.252
293 HD2 ARG 60 HD2 ARG 60 -15.945 8.000 5.902
294 HD3 ARG 60 HD1 ARG 60 -14.388 8.734 5.520
295 HE ARG 60 HE ARG 60 -14.680 6.324 4.090
296 HH11 ARG 60 HH11 ARG 60 -15.899 9.587 4.181
297 HH12 ARG 60 HH12 ARG 60 -16.277 9.630 2.491
298 HH21 ARG 60 HH21 ARG 60 -15.176 6.371 1.866
299 HH22 ARG 60 HH22 ARG 60 -15.867 7.802 1.175
Start of MODEL 2
1 H1 ARG 28 HT1 ARG 28 23.832 -3.135 -7.454
2 H2 ARG 28 HT2 ARG 28 24.447 -3.373 -9.012
3 H3 ARG 28 HT3 ARG 28 22.836 -2.905 -8.802
4 HA ARG 28 HA ARG 28 25.191 -1.278 -8.047
5 HB2 ARG 28 HB2 ARG 28 24.904 -1.587 -10.505
6 HB3 ARG 28 HB1 ARG 28 23.285 -0.918 -10.369
7 HG2 ARG 28 HG2 ARG 28 25.559 0.692 -9.340
8 HG3 ARG 28 HG1 ARG 28 25.342 0.561 -11.086
9 HD2 ARG 28 HD2 ARG 28 23.350 1.587 -9.070
10 HD3 ARG 28 HD1 ARG 28 24.192 2.519 -10.306
11 HE ARG 28 HE ARG 28 22.713 0.441 -11.512
12 HH11 ARG 28 HH11 ARG 28 22.285 3.507 -9.912
13 HH12 ARG 28 HH12 ARG 28 20.804 3.874 -10.731
14 HH21 ARG 28 HH21 ARG 28 20.763 0.914 -12.593
15 HH22 ARG 28 HH22 ARG 28 19.938 2.399 -12.254
16 H ARG 29 HN ARG 29 21.697 -1.628 -8.291
17 HA ARG 29 HA ARG 29 21.404 0.726 -6.540
18 HB2 ARG 29 HB2 ARG 29 20.431 1.062 -8.786
19 HB3 ARG 29 HB1 ARG 29 19.412 -0.350 -8.545
20 HG2 ARG 29 HG2 ARG 29 18.329 0.775 -6.648
21 HG3 ARG 29 HG1 ARG 29 19.324 2.202 -6.949
22 HD2 ARG 29 HD2 ARG 29 17.136 2.501 -7.935
23 HD3 ARG 29 HD1 ARG 29 18.353 2.375 -9.204
24 HE ARG 29 HE ARG 29 17.145 -0.142 -8.596
25 HH11 ARG 29 HH11 ARG 29 16.728 2.825 -10.376
26 HH12 ARG 29 HH12 ARG 29 15.675 2.119 -11.556
27 HH21 ARG 29 HH21 ARG 29 15.762 -1.079 -10.147
28 HH22 ARG 29 HH22 ARG 29 15.127 -0.100 -11.427
29 H CYS 30 HN CYS 30 20.270 0.499 -4.677
30 HA CYS 30 HA CYS 30 19.771 -2.136 -3.709
31 HB2 CYS 30 HB2 CYS 30 19.028 0.543 -2.513
32 HB3 CYS 30 HB1 CYS 30 18.976 -1.001 -1.670
33 HG CYS 30 HG CYS 30 21.972 -0.779 -2.845
34 H LEU 31 HN LEU 31 18.207 -3.071 -5.018
35 HA LEU 31 HA LEU 31 15.648 -1.791 -5.400
36 HB2 LEU 31 HB2 LEU 31 16.685 -3.216 -7.137
37 HB3 LEU 31 HB1 LEU 31 16.530 -4.599 -6.071
38 HG LEU 31 HG LEU 31 14.043 -4.261 -6.115
39 HD11 LEU 31 HD11 LEU 31 13.116 -2.895 -7.926
40 HD12 LEU 31 HD12 LEU 31 14.737 -2.313 -8.308
41 HD13 LEU 31 HD13 LEU 31 14.002 -1.919 -6.754
42 HD21 LEU 31 HD21 LEU 31 13.762 -5.215 -8.361
43 HD22 LEU 31 HD22 LEU 31 15.104 -5.957 -7.489
44 HD23 LEU 31 HD23 LEU 31 15.422 -4.765 -8.749
45 H PHE 32 HN PHE 32 17.064 -4.070 -3.212
46 HA PHE 32 HA PHE 32 14.544 -5.094 -2.254
47 HB2 PHE 32 HB2 PHE 32 16.705 -6.405 -2.273
48 HB3 PHE 32 HB1 PHE 32 17.259 -5.372 -0.958
49 HD1 PHE 32 HD1 PHE 32 16.195 -5.495 1.249
50 HD2 PHE 32 HD2 PHE 32 15.099 -8.128 -1.911
51 HE1 PHE 32 HE1 PHE 32 15.100 -6.984 2.874
52 HE2 PHE 32 HE2 PHE 32 14.002 -9.620 -0.292
53 HZ PHE 32 HZ PHE 32 14.001 -9.048 2.103
54 H LEU 33 HN LEU 33 17.010 -2.819 -1.124
55 HA LEU 33 HA LEU 33 15.843 -2.297 1.391
56 HB2 LEU 33 HB2 LEU 33 17.638 -0.560 -0.294
57 HB3 LEU 33 HB1 LEU 33 17.251 -0.271 1.392
58 HG LEU 33 HG LEU 33 18.863 -2.546 0.247
59 HD11 LEU 33 HD11 LEU 33 19.509 -0.363 2.213
60 HD12 LEU 33 HD12 LEU 33 20.051 -0.448 0.538
61 HD13 LEU 33 HD13 LEU 33 20.603 -1.648 1.707
62 HD21 LEU 33 HD21 LEU 33 19.082 -3.361 2.555
63 HD22 LEU 33 HD22 LEU 33 17.418 -3.451 1.979
64 HD23 LEU 33 HD23 LEU 33 17.900 -2.161 3.081
65 H SER 34 HN SER 34 15.475 -0.765 -1.771
66 HA SER 34 HA SER 34 13.821 1.360 -0.842
67 HB2 SER 34 HB2 SER 34 14.129 0.219 -3.630
68 HB3 SER 34 HB1 SER 34 13.351 1.751 -3.232
69 HG SER 34 HG SER 34 15.362 2.463 -2.403
70 H LEU 35 HN LEU 35 13.222 -1.870 -2.083
71 HA LEU 35 HA LEU 35 10.399 -1.565 -2.361
72 HB2 LEU 35 HB2 LEU 35 11.677 -3.255 -3.595
73 HB3 LEU 35 HB1 LEU 35 12.068 -4.062 -2.088
74 HG LEU 35 HG LEU 35 9.646 -4.507 -1.743
75 HD11 LEU 35 HD11 LEU 35 8.122 -4.235 -3.639
76 HD12 LEU 35 HD12 LEU 35 9.391 -3.399 -4.536
77 HD13 LEU 35 HD13 LEU 35 8.731 -2.684 -3.064
78 HD21 LEU 35 HD21 LEU 35 11.098 -6.193 -2.720
79 HD22 LEU 35 HD22 LEU 35 10.814 -5.524 -4.327
80 HD23 LEU 35 HD23 LEU 35 9.487 -6.266 -3.433
81 H PHE 36 HN PHE 36 12.477 -2.076 0.299
82 HA PHE 36 HA PHE 36 10.825 -3.568 2.009
83 HB2 PHE 36 HB2 PHE 36 13.276 -3.037 2.344
84 HB3 PHE 36 HB1 PHE 36 12.780 -1.432 2.871
85 HD1 PHE 36 HD1 PHE 36 12.693 -5.018 3.676
86 HD2 PHE 36 HD2 PHE 36 11.842 -1.075 5.032
87 HE1 PHE 36 HE1 PHE 36 12.379 -5.875 5.959
88 HE2 PHE 36 HE2 PHE 36 11.527 -1.925 7.320
89 HZ PHE 36 HZ PHE 36 11.796 -4.329 7.785
90 H SER 37 HN SER 37 10.623 -0.311 0.943
91 HA SER 37 HA SER 37 8.826 0.432 3.132
92 HB2 SER 37 HB2 SER 37 8.954 2.716 2.152
93 HB3 SER 37 HB1 SER 37 10.533 2.071 2.603
94 HG SER 37 HG SER 37 9.483 1.878 -0.021
95 H PHE 38 HN PHE 38 8.888 0.339 -0.423
96 HA PHE 38 HA PHE 38 6.302 1.184 -0.930
97 HB2 PHE 38 HB2 PHE 38 7.939 -0.867 -2.433
98 HB3 PHE 38 HB1 PHE 38 6.474 -0.110 -3.049
99 HD1 PHE 38 HD1 PHE 38 6.632 2.625 -2.640
100 HD2 PHE 38 HD2 PHE 38 9.850 -0.056 -3.389
101 HE1 PHE 38 HE1 PHE 38 7.968 4.486 -3.538
102 HE2 PHE 38 HE2 PHE 38 11.193 1.800 -4.287
103 HZ PHE 38 HZ PHE 38 10.255 4.071 -4.367
104 H LEU 39 HN LEU 39 7.461 -2.022 -0.035
105 HA LEU 39 HA LEU 39 5.104 -3.454 -0.535
106 HB2 LEU 39 HB2 LEU 39 7.419 -4.355 -0.015
107 HB3 LEU 39 HB1 LEU 39 7.060 -4.059 1.675
108 HG LEU 39 HG LEU 39 5.195 -5.739 0.053
109 HD11 LEU 39 HD11 LEU 39 7.740 -6.729 1.330
110 HD12 LEU 39 HD12 LEU 39 7.428 -6.631 -0.403
111 HD13 LEU 39 HD13 LEU 39 6.482 -7.728 0.603
112 HD21 LEU 39 HD21 LEU 39 4.518 -5.109 2.292
113 HD22 LEU 39 HD22 LEU 39 6.035 -5.723 2.949
114 HD23 LEU 39 HD23 LEU 39 4.869 -6.835 2.231
115 H ILE 40 HN ILE 40 6.249 -1.883 2.446
116 HA ILE 40 HA ILE 40 4.081 -2.622 4.069
117 HB ILE 40 HB ILE 40 5.776 -0.130 4.295
118 HG12 ILE 40 HG12 ILE 40 6.153 -2.844 5.585
119 HG13 ILE 40 HG11 ILE 40 7.086 -2.247 4.215
120 HG21 ILE 40 HG21 ILE 40 3.726 -0.045 5.630
121 HG22 ILE 40 HG22 ILE 40 5.156 -0.175 6.655
122 HG23 ILE 40 HG23 ILE 40 4.144 -1.591 6.370
123 HD11 ILE 40 HD11 ILE 40 7.021 -1.047 6.973
124 HD12 ILE 40 HD12 ILE 40 7.942 -0.426 5.603
125 HD13 ILE 40 HD13 ILE 40 8.326 -2.010 6.280
126 H VAL 41 HN VAL 41 4.543 0.090 1.874
127 HA VAL 41 HA VAL 41 2.197 1.504 2.674
128 HB VAL 41 HB VAL 41 3.748 1.718 0.088
129 HG11 VAL 41 HG11 VAL 41 2.757 3.955 -0.064
130 HG12 VAL 41 HG12 VAL 41 1.812 3.633 1.390
131 HG13 VAL 41 HG13 VAL 41 1.522 2.697 -0.076
132 HG21 VAL 41 HG21 VAL 41 4.009 3.308 2.637
133 HG22 VAL 41 HG22 VAL 41 4.898 3.588 1.140
134 HG23 VAL 41 HG23 VAL 41 5.154 2.102 2.052
135 H LEU 42 HN LEU 42 2.922 -0.895 0.204
136 HA LEU 42 HA LEU 42 0.509 -0.626 -1.243
137 HB2 LEU 42 HB2 LEU 42 2.504 -2.871 -1.015
138 HB3 LEU 42 HB1 LEU 42 1.087 -2.967 -2.054
139 HG LEU 42 HG LEU 42 3.216 -0.839 -2.297
140 HD11 LEU 42 HD11 LEU 42 4.143 -3.047 -2.773
141 HD12 LEU 42 HD12 LEU 42 4.001 -2.081 -4.242
142 HD13 LEU 42 HD13 LEU 42 2.829 -3.357 -3.908
143 HD21 LEU 42 HD21 LEU 42 2.178 -0.403 -4.457
144 HD22 LEU 42 HD22 LEU 42 1.013 -0.195 -3.150
145 HD23 LEU 42 HD23 LEU 42 0.972 -1.650 -4.143
146 H LEU 43 HN LEU 43 1.514 -2.955 1.258
147 HA LEU 43 HA LEU 43 -0.775 -4.501 1.357
148 HB2 LEU 43 HB2 LEU 43 1.378 -3.829 3.279
149 HB3 LEU 43 HB1 LEU 43 -0.077 -4.539 3.948
150 HG LEU 43 HG LEU 43 1.670 -6.212 3.478
151 HD11 LEU 43 HD11 LEU 43 -0.665 -6.883 3.471
152 HD12 LEU 43 HD12 LEU 43 0.250 -7.795 2.271
153 HD13 LEU 43 HD13 LEU 43 -0.793 -6.467 1.761
154 HD21 LEU 43 HD21 LEU 43 1.247 -5.420 0.599
155 HD22 LEU 43 HD22 LEU 43 2.193 -6.798 1.158
156 HD23 LEU 43 HD23 LEU 43 2.710 -5.158 1.548
157 H LEU 44 HN LEU 44 -0.169 -1.361 2.841
158 HA LEU 44 HA LEU 44 -2.603 -1.375 4.360
159 HB2 LEU 44 HB2 LEU 44 -0.720 0.867 3.636
160 HB3 LEU 44 HB1 LEU 44 -2.095 1.042 4.710
161 HG LEU 44 HG LEU 44 0.331 -0.690 5.192
162 HD11 LEU 44 HD11 LEU 44 0.725 0.884 7.045
163 HD12 LEU 44 HD12 LEU 44 -0.631 1.860 6.478
164 HD13 LEU 44 HD13 LEU 44 0.799 1.664 5.465
165 HD21 LEU 44 HD21 LEU 44 -1.637 -1.751 6.122
166 HD22 LEU 44 HD22 LEU 44 -2.126 -0.237 6.884
167 HD23 LEU 44 HD23 LEU 44 -0.662 -1.060 7.421
168 H THR 45 HN THR 45 -1.530 0.261 1.392
169 HA THR 45 HA THR 45 -3.890 1.676 0.894
170 HB THR 45 HB THR 45 -3.137 1.724 -1.491
171 HG1 THR 45 HG1 THR 45 -0.810 0.369 -0.624
172 HG21 THR 45 HG21 THR 45 -1.064 2.352 0.611
173 HG22 THR 45 HG22 THR 45 -2.354 3.418 0.058
174 HG23 THR 45 HG23 THR 45 -1.050 2.970 -1.039
175 H THR 46 HN THR 46 -3.156 -1.678 0.488
176 HA THR 46 HA THR 46 -4.975 -2.365 -1.526
177 HB THR 46 HB THR 46 -4.177 -4.059 0.850
178 HG1 THR 46 HG1 THR 46 -2.968 -4.529 -1.572
179 HG21 THR 46 HG21 THR 46 -4.735 -5.954 -0.556
180 HG22 THR 46 HG22 THR 46 -5.156 -4.879 -1.888
181 HG23 THR 46 HG23 THR 46 -6.138 -4.892 -0.423
182 H LEU 47 HN LEU 47 -5.417 -2.591 2.010
183 HA LEU 47 HA LEU 47 -8.250 -3.036 1.706
184 HB2 LEU 47 HB2 LEU 47 -6.516 -2.657 4.144
185 HB3 LEU 47 HB1 LEU 47 -8.239 -2.963 4.216
186 HG LEU 47 HG LEU 47 -7.111 -5.020 4.645
187 HD11 LEU 47 HD11 LEU 47 -8.130 -5.040 1.810
188 HD12 LEU 47 HD12 LEU 47 -9.115 -5.184 3.265
189 HD13 LEU 47 HD13 LEU 47 -7.950 -6.445 2.860
190 HD21 LEU 47 HD21 LEU 47 -5.641 -4.637 2.040
191 HD22 LEU 47 HD22 LEU 47 -5.501 -6.014 3.134
192 HD23 LEU 47 HD23 LEU 47 -4.947 -4.420 3.646
193 H PHE 48 HN PHE 48 -6.140 -0.363 2.464
194 HA PHE 48 HA PHE 48 -8.104 1.361 3.553
195 HB2 PHE 48 HB2 PHE 48 -5.717 1.730 3.925
196 HB3 PHE 48 HB1 PHE 48 -5.471 2.018 2.208
197 HD1 PHE 48 HD1 PHE 48 -7.183 3.328 5.221
198 HD2 PHE 48 HD2 PHE 48 -5.758 4.150 1.296
199 HE1 PHE 48 HE1 PHE 48 -7.624 5.724 5.567
200 HE2 PHE 48 HE2 PHE 48 -6.195 6.547 1.635
201 HZ PHE 48 HZ PHE 48 -7.135 7.334 3.783
202 H CYS 49 HN CYS 49 -7.178 0.561 0.292
203 HA CYS 49 HA CYS 49 -8.546 2.812 -0.889
204 HB2 CYS 49 HB2 CYS 49 -6.602 1.916 -2.026
205 HB3 CYS 49 HB1 CYS 49 -7.345 0.323 -2.115
206 HG CYS 49 HG CYS 49 -7.630 1.063 -4.653
207 H LEU 50 HN LEU 50 -9.132 -0.658 -0.514
208 HA LEU 50 HA LEU 50 -11.465 -0.867 -2.023
209 HB2 LEU 50 HB2 LEU 50 -10.652 -2.381 0.461
210 HB3 LEU 50 HB1 LEU 50 -11.964 -2.851 -0.613
211 HG LEU 50 HG LEU 50 -9.126 -2.569 -1.581
212 HD11 LEU 50 HD11 LEU 50 -9.314 -4.217 0.300
213 HD12 LEU 50 HD12 LEU 50 -8.778 -4.895 -1.237
214 HD13 LEU 50 HD13 LEU 50 -10.443 -5.129 -0.703
215 HD21 LEU 50 HD21 LEU 50 -9.931 -4.061 -3.361
216 HD22 LEU 50 HD22 LEU 50 -10.834 -2.547 -3.301
217 HD23 LEU 50 HD23 LEU 50 -11.543 -4.023 -2.646
218 H LEU 51 HN LEU 51 -10.970 0.256 1.262
219 HA LEU 51 HA LEU 51 -13.783 0.353 1.874
220 HB2 LEU 51 HB2 LEU 51 -11.348 1.406 3.302
221 HB3 LEU 51 HB1 LEU 51 -12.980 1.586 3.919
222 HG LEU 51 HG LEU 51 -11.635 -1.065 3.388
223 HD11 LEU 51 HD11 LEU 51 -11.490 -1.242 5.829
224 HD12 LEU 51 HD12 LEU 51 -12.098 0.408 5.979
225 HD13 LEU 51 HD13 LEU 51 -10.539 0.108 5.211
226 HD21 LEU 51 HD21 LEU 51 -13.517 -1.984 4.661
227 HD22 LEU 51 HD22 LEU 51 -14.061 -1.162 3.198
228 HD23 LEU 51 HD23 LEU 51 -14.229 -0.372 4.766
229 H HIS 52 HN HIS 52 -11.418 2.502 0.526
230 HA HIS 52 HA HIS 52 -12.833 4.926 1.064
231 HB2 HIS 52 HB2 HIS 52 -10.382 4.815 0.645
232 HB3 HIS 52 HB1 HIS 52 -10.720 4.404 -1.033
233 HD1 HIS 52 HD1 HIS 52 -10.541 7.254 1.314
234 HD2 HIS 52 HD2 HIS 52 -11.805 6.540 -2.579
235 HE1 HIS 52 HE1 HIS 52 -10.803 9.524 0.266
236 HE2 HIS 52 HE2 HIS 52 -11.646 9.070 -2.065
237 H PHE 53 HN PHE 53 -12.243 3.193 -2.007
238 HA PHE 53 HA PHE 53 -14.345 4.688 -3.304
239 HB2 PHE 53 HB2 PHE 53 -12.611 2.427 -4.315
240 HB3 PHE 53 HB1 PHE 53 -13.721 3.369 -5.303
241 HD1 PHE 53 HD1 PHE 53 -13.335 5.924 -5.344
242 HD2 PHE 53 HD2 PHE 53 -10.412 3.099 -4.090
243 HE1 PHE 53 HE1 PHE 53 -11.563 7.578 -5.765
244 HE2 PHE 53 HE2 PHE 53 -8.633 4.748 -4.506
245 HZ PHE 53 HZ PHE 53 -9.206 6.993 -5.334
246 H GLY 54 HN GLY 54 -13.979 1.600 -1.775
247 HA2 GLY 54 HA2 GLY 54 -15.747 0.243 -1.049
248 HA3 GLY 54 HA1 GLY 54 -16.826 1.103 -2.135
249 H VAL 55 HN VAL 55 -14.823 0.694 -4.365
250 HA VAL 55 HA VAL 55 -14.979 -2.185 -4.764
251 HB VAL 55 HB VAL 55 -15.761 -1.204 -7.236
252 HG11 VAL 55 HG11 VAL 55 -16.447 -3.317 -6.237
253 HG12 VAL 55 HG12 VAL 55 -17.852 -2.402 -6.785
254 HG13 VAL 55 HG13 VAL 55 -17.447 -2.452 -5.070
255 HG21 VAL 55 HG21 VAL 55 -17.405 0.110 -5.078
256 HG22 VAL 55 HG22 VAL 55 -17.807 0.066 -6.793
257 HG23 VAL 55 HG23 VAL 55 -16.374 0.935 -6.246
258 H ILE 56 HN ILE 56 -14.561 0.306 -7.210
259 HA ILE 56 HA ILE 56 -11.676 -0.176 -7.240
260 HB ILE 56 HB ILE 56 -11.996 -0.127 -9.861
261 HG12 ILE 56 HG12 ILE 56 -13.975 -1.557 -10.466
262 HG13 ILE 56 HG11 ILE 56 -14.577 -1.322 -8.830
263 HG21 ILE 56 HG21 ILE 56 -12.363 -2.579 -8.147
264 HG22 ILE 56 HG22 ILE 56 -10.830 -1.859 -8.635
265 HG23 ILE 56 HG23 ILE 56 -11.888 -2.586 -9.845
266 HD11 ILE 56 HD11 ILE 56 -14.715 1.079 -9.224
267 HD12 ILE 56 HD12 ILE 56 -15.667 0.172 -10.399
268 HD13 ILE 56 HD13 ILE 56 -14.104 0.846 -10.862
269 H GLY 57 HN GLY 57 -14.099 2.002 -7.181
270 HA2 GLY 57 HA2 GLY 57 -13.838 4.332 -7.134
271 HA3 GLY 57 HA1 GLY 57 -12.314 4.152 -7.992
272 HA PRO 58 HA PRO 58 -15.690 3.917 -11.405
273 HB2 PRO 58 HB2 PRO 58 -18.268 4.294 -10.729
274 HB3 PRO 58 HB1 PRO 58 -17.499 2.705 -10.643
275 HG2 PRO 58 HG2 PRO 58 -18.034 4.674 -8.451
276 HG3 PRO 58 HG1 PRO 58 -18.259 2.915 -8.453
277 HD2 PRO 58 HD2 PRO 58 -16.098 4.138 -7.335
278 HD3 PRO 58 HD1 PRO 58 -16.039 2.505 -8.026
279 H GLN 59 HN GLN 59 -16.411 6.140 -8.770
280 HA GLN 59 HA GLN 59 -16.668 8.394 -8.668
281 HB2 GLN 59 HB2 GLN 59 -14.459 8.229 -9.918
282 HB3 GLN 59 HB1 GLN 59 -15.375 8.516 -11.391
283 HG2 GLN 59 HG2 GLN 59 -16.108 10.669 -10.542
284 HG3 GLN 59 HG1 GLN 59 -15.251 10.378 -9.029
285 HE21 GLN 59 HE21 GLN 59 -14.930 12.525 -10.978
286 HE22 GLN 59 HE22 GLN 59 -13.278 12.474 -11.481
287 H ARG 60 HN ARG 60 -18.481 6.539 -10.437
288 HA ARG 60 HA ARG 60 -20.171 8.742 -11.366
289 HB2 ARG 60 HB2 ARG 60 -19.498 6.304 -13.025
290 HB3 ARG 60 HB1 ARG 60 -20.698 7.518 -13.447
291 HG2 ARG 60 HG2 ARG 60 -18.974 9.210 -13.608
292 HG3 ARG 60 HG1 ARG 60 -17.753 8.040 -13.105
293 HD2 ARG 60 HD2 ARG 60 -19.427 7.909 -15.609
294 HD3 ARG 60 HD1 ARG 60 -17.719 8.339 -15.519
295 HE ARG 60 HE ARG 60 -18.527 5.710 -14.533
296 HH11 ARG 60 HH11 ARG 60 -16.997 7.636 -17.003
297 HH12 ARG 60 HH12 ARG 60 -16.182 6.290 -17.727
298 HH21 ARG 60 HH21 ARG 60 -17.457 3.934 -15.483
299 HH22 ARG 60 HH22 ARG 60 -16.445 4.187 -16.865
Start of MODEL 3
1 H1 ARG 28 HT1 ARG 28 21.254 9.123 -0.470
2 H2 ARG 28 HT2 ARG 28 20.579 7.697 -1.081
3 H3 ARG 28 HT3 ARG 28 21.680 7.629 0.201
4 HA ARG 28 HA ARG 28 20.149 8.793 1.636
5 HB2 ARG 28 HB2 ARG 28 18.319 8.644 -0.768
6 HB3 ARG 28 HB1 ARG 28 17.816 9.131 0.844
7 HG2 ARG 28 HG2 ARG 28 19.380 11.029 0.734
8 HG3 ARG 28 HG1 ARG 28 19.808 10.553 -0.911
9 HD2 ARG 28 HD2 ARG 28 17.510 10.883 -1.629
10 HD3 ARG 28 HD1 ARG 28 17.035 11.289 0.020
11 HE ARG 28 HE ARG 28 19.111 12.995 -0.897
12 HH11 ARG 28 HH11 ARG 28 15.688 12.404 -1.173
13 HH12 ARG 28 HH12 ARG 28 15.305 14.048 -1.554
14 HH21 ARG 28 HH21 ARG 28 18.613 15.164 -1.393
15 HH22 ARG 28 HH22 ARG 28 16.966 15.618 -1.676
16 H ARG 29 HN ARG 29 18.740 6.536 -0.744
17 HA ARG 29 HA ARG 29 18.444 4.575 1.434
18 HB2 ARG 29 HB2 ARG 29 16.484 5.045 -0.820
19 HB3 ARG 29 HB1 ARG 29 16.323 3.855 0.464
20 HG2 ARG 29 HG2 ARG 29 16.184 5.658 2.113
21 HG3 ARG 29 HG1 ARG 29 16.329 6.846 0.816
22 HD2 ARG 29 HD2 ARG 29 14.113 4.826 1.158
23 HD3 ARG 29 HD1 ARG 29 14.001 6.560 1.455
24 HE ARG 29 HE ARG 29 14.837 5.962 -1.211
25 HH11 ARG 29 HH11 ARG 29 12.061 6.214 0.880
26 HH12 ARG 29 HH12 ARG 29 10.958 6.550 -0.412
27 HH21 ARG 29 HH21 ARG 29 13.393 6.401 -2.918
28 HH22 ARG 29 HH22 ARG 29 11.714 6.655 -2.571
29 H CYS 30 HN CYS 30 18.570 2.372 0.832
30 HA CYS 30 HA CYS 30 20.209 1.940 -1.549
31 HB2 CYS 30 HB2 CYS 30 21.047 1.104 0.610
32 HB3 CYS 30 HB1 CYS 30 19.612 0.100 0.778
33 HG CYS 30 HG CYS 30 22.440 -0.664 -0.598
34 H LEU 31 HN LEU 31 19.827 0.019 -2.875
35 HA LEU 31 HA LEU 31 17.227 -0.082 -3.895
36 HB2 LEU 31 HB2 LEU 31 19.463 -2.090 -4.178
37 HB3 LEU 31 HB1 LEU 31 18.015 -2.057 -5.165
38 HG LEU 31 HG LEU 31 19.992 0.219 -5.044
39 HD11 LEU 31 HD11 LEU 31 19.777 -2.013 -7.060
40 HD12 LEU 31 HD12 LEU 31 21.098 -1.762 -5.918
41 HD13 LEU 31 HD13 LEU 31 20.810 -0.590 -7.204
42 HD21 LEU 31 HD21 LEU 31 17.762 -0.434 -6.969
43 HD22 LEU 31 HD22 LEU 31 18.874 0.929 -7.100
44 HD23 LEU 31 HD23 LEU 31 17.742 0.842 -5.750
45 H PHE 32 HN PHE 32 18.655 -1.739 -1.244
46 HA PHE 32 HA PHE 32 16.687 -3.869 -1.215
47 HB2 PHE 32 HB2 PHE 32 19.070 -4.205 -0.494
48 HB3 PHE 32 HB1 PHE 32 18.738 -3.177 0.896
49 HD1 PHE 32 HD1 PHE 32 17.502 -3.981 2.765
50 HD2 PHE 32 HD2 PHE 32 18.002 -6.408 -0.695
51 HE1 PHE 32 HE1 PHE 32 16.686 -5.931 4.022
52 HE2 PHE 32 HE2 PHE 32 17.185 -8.364 0.555
53 HZ PHE 32 HZ PHE 32 16.542 -8.138 2.909
54 H LEU 33 HN LEU 33 17.321 -0.832 0.420
55 HA LEU 33 HA LEU 33 15.290 -1.214 2.417
56 HB2 LEU 33 HB2 LEU 33 16.841 1.226 1.580
57 HB3 LEU 33 HB1 LEU 33 15.709 1.193 2.917
58 HG LEU 33 HG LEU 33 18.286 -0.368 2.708
59 HD11 LEU 33 HD11 LEU 33 18.599 1.984 3.200
60 HD12 LEU 33 HD12 LEU 33 18.941 1.006 4.627
61 HD13 LEU 33 HD13 LEU 33 17.417 1.886 4.503
62 HD21 LEU 33 HD21 LEU 33 16.206 -0.346 4.895
63 HD22 LEU 33 HD22 LEU 33 17.791 -1.109 4.999
64 HD23 LEU 33 HD23 LEU 33 16.601 -1.705 3.843
65 H SER 34 HN SER 34 15.387 -0.068 -0.818
66 HA SER 34 HA SER 34 13.139 1.662 -0.734
67 HB2 SER 34 HB2 SER 34 14.340 0.153 -3.066
68 HB3 SER 34 HB1 SER 34 13.162 1.460 -3.197
69 HG SER 34 HG SER 34 15.435 2.003 -1.705
70 H LEU 35 HN LEU 35 13.532 -1.788 -1.278
71 HA LEU 35 HA LEU 35 10.806 -2.198 -2.076
72 HB2 LEU 35 HB2 LEU 35 12.722 -3.650 -2.770
73 HB3 LEU 35 HB1 LEU 35 12.815 -4.237 -1.121
74 HG LEU 35 HG LEU 35 10.198 -4.489 -2.513
75 HD11 LEU 35 HD11 LEU 35 11.783 -5.191 -4.229
76 HD12 LEU 35 HD12 LEU 35 10.891 -6.570 -3.585
77 HD13 LEU 35 HD13 LEU 35 12.555 -6.282 -3.078
78 HD21 LEU 35 HD21 LEU 35 11.770 -6.270 -0.653
79 HD22 LEU 35 HD22 LEU 35 10.137 -6.581 -1.240
80 HD23 LEU 35 HD23 LEU 35 10.449 -5.198 -0.194
81 H PHE 36 HN PHE 36 12.573 -2.167 0.914
82 HA PHE 36 HA PHE 36 10.837 -3.649 2.534
83 HB2 PHE 36 HB2 PHE 36 13.086 -2.945 3.245
84 HB3 PHE 36 HB1 PHE 36 12.547 -1.271 3.294
85 HD1 PHE 36 HD1 PHE 36 11.935 -4.611 4.792
86 HD2 PHE 36 HD2 PHE 36 11.597 -0.391 5.225
87 HE1 PHE 36 HE1 PHE 36 11.233 -4.910 7.133
88 HE2 PHE 36 HE2 PHE 36 10.896 -0.683 7.565
89 HZ PHE 36 HZ PHE 36 10.714 -2.944 8.522
90 H SER 37 HN SER 37 10.918 -0.154 1.868
91 HA SER 37 HA SER 37 8.487 0.295 3.358
92 HB2 SER 37 HB2 SER 37 10.087 2.153 1.581
93 HB3 SER 37 HB1 SER 37 8.739 2.639 2.606
94 HG SER 37 HG SER 37 10.960 1.287 3.690
95 H PHE 38 HN PHE 38 9.153 -0.924 0.354
96 HA PHE 38 HA PHE 38 6.918 0.297 -1.042
97 HB2 PHE 38 HB2 PHE 38 9.129 -0.370 -2.133
98 HB3 PHE 38 HB1 PHE 38 8.578 -2.033 -1.980
99 HD1 PHE 38 HD1 PHE 38 7.612 -2.963 -3.829
100 HD2 PHE 38 HD2 PHE 38 7.245 1.230 -3.207
101 HE1 PHE 38 HE1 PHE 38 6.391 -2.759 -5.955
102 HE2 PHE 38 HE2 PHE 38 6.023 1.443 -5.331
103 HZ PHE 38 HZ PHE 38 5.593 -0.554 -6.709
104 H LEU 39 HN LEU 39 7.551 -2.446 0.907
105 HA LEU 39 HA LEU 39 5.362 -4.032 -0.104
106 HB2 LEU 39 HB2 LEU 39 7.464 -4.979 0.899
107 HB3 LEU 39 HB1 LEU 39 6.917 -4.398 2.458
108 HG LEU 39 HG LEU 39 5.119 -6.192 0.900
109 HD11 LEU 39 HD11 LEU 39 6.216 -8.163 1.815
110 HD12 LEU 39 HD12 LEU 39 7.484 -7.150 2.503
111 HD13 LEU 39 HD13 LEU 39 7.306 -7.273 0.753
112 HD21 LEU 39 HD21 LEU 39 4.322 -5.229 2.984
113 HD22 LEU 39 HD22 LEU 39 5.732 -5.859 3.835
114 HD23 LEU 39 HD23 LEU 39 4.541 -6.969 3.160
115 H ILE 40 HN ILE 40 5.931 -1.707 2.416
116 HA ILE 40 HA ILE 40 3.472 -2.266 3.820
117 HB ILE 40 HB ILE 40 5.294 0.126 4.105
118 HG12 ILE 40 HG12 ILE 40 5.284 -2.414 5.747
119 HG13 ILE 40 HG11 ILE 40 6.428 -2.094 4.448
120 HG21 ILE 40 HG21 ILE 40 4.285 0.311 6.335
121 HG22 ILE 40 HG22 ILE 40 3.219 -1.042 5.957
122 HG23 ILE 40 HG23 ILE 40 3.083 0.467 5.054
123 HD11 ILE 40 HD11 ILE 40 6.116 -0.475 6.967
124 HD12 ILE 40 HD12 ILE 40 7.262 -0.149 5.665
125 HD13 ILE 40 HD13 ILE 40 7.405 -1.628 6.618
126 H VAL 41 HN VAL 41 4.611 -0.022 1.381
127 HA VAL 41 HA VAL 41 2.431 1.785 1.538
128 HB VAL 41 HB VAL 41 4.648 2.297 0.487
129 HG11 VAL 41 HG11 VAL 41 3.519 0.685 -1.788
130 HG12 VAL 41 HG12 VAL 41 4.915 0.264 -0.801
131 HG13 VAL 41 HG13 VAL 41 4.975 1.677 -1.854
132 HG21 VAL 41 HG21 VAL 41 2.736 3.769 0.188
133 HG22 VAL 41 HG22 VAL 41 2.187 2.804 -1.183
134 HG23 VAL 41 HG23 VAL 41 3.700 3.704 -1.287
135 H LEU 42 HN LEU 42 2.994 -1.182 -0.257
136 HA LEU 42 HA LEU 42 0.679 -0.870 -1.930
137 HB2 LEU 42 HB2 LEU 42 2.377 -3.300 -1.354
138 HB3 LEU 42 HB1 LEU 42 1.130 -3.208 -2.592
139 HG LEU 42 HG LEU 42 3.642 -1.530 -2.539
140 HD11 LEU 42 HD11 LEU 42 4.120 -3.891 -2.941
141 HD12 LEU 42 HD12 LEU 42 4.377 -2.926 -4.395
142 HD13 LEU 42 HD13 LEU 42 2.924 -3.914 -4.238
143 HD21 LEU 42 HD21 LEU 42 2.988 -0.931 -4.826
144 HD22 LEU 42 HD22 LEU 42 1.790 -0.405 -3.644
145 HD23 LEU 42 HD23 LEU 42 1.487 -1.836 -4.629
146 H LEU 43 HN LEU 43 1.496 -3.095 0.734
147 HA LEU 43 HA LEU 43 -0.969 -4.350 0.953
148 HB2 LEU 43 HB2 LEU 43 1.082 -5.097 2.081
149 HB3 LEU 43 HB1 LEU 43 0.986 -3.722 3.164
150 HG LEU 43 HG LEU 43 -1.182 -4.607 4.020
151 HD11 LEU 43 HD11 LEU 43 -1.829 -5.923 2.077
152 HD12 LEU 43 HD12 LEU 43 -1.777 -6.925 3.528
153 HD13 LEU 43 HD13 LEU 43 -0.469 -7.012 2.348
154 HD21 LEU 43 HD21 LEU 43 0.897 -5.030 5.215
155 HD22 LEU 43 HD22 LEU 43 1.186 -6.465 4.230
156 HD23 LEU 43 HD23 LEU 43 -0.186 -6.416 5.339
157 H LEU 44 HN LEU 44 -0.060 -1.154 1.898
158 HA LEU 44 HA LEU 44 -2.242 -0.808 3.750
159 HB2 LEU 44 HB2 LEU 44 -0.496 0.524 4.388
160 HB3 LEU 44 HB1 LEU 44 0.016 0.831 2.740
161 HG LEU 44 HG LEU 44 -1.952 2.352 2.488
162 HD11 LEU 44 HD11 LEU 44 -2.167 1.957 5.470
163 HD12 LEU 44 HD12 LEU 44 -3.353 1.462 4.263
164 HD13 LEU 44 HD13 LEU 44 -3.031 3.174 4.533
165 HD21 LEU 44 HD21 LEU 44 0.029 3.032 4.655
166 HD22 LEU 44 HD22 LEU 44 -0.937 4.192 3.743
167 HD23 LEU 44 HD23 LEU 44 0.279 3.215 2.919
168 H THR 45 HN THR 45 -1.398 0.446 0.523
169 HA THR 45 HA THR 45 -3.771 1.911 0.143
170 HB THR 45 HB THR 45 -3.196 1.726 -2.324
171 HG1 THR 45 HG1 THR 45 -0.660 0.861 -1.820
172 HG21 THR 45 HG21 THR 45 -1.202 3.153 -2.118
173 HG22 THR 45 HG22 THR 45 -1.056 2.691 -0.422
174 HG23 THR 45 HG23 THR 45 -2.458 3.611 -0.967
175 H THR 46 HN THR 46 -3.103 -1.466 -0.105
176 HA THR 46 HA THR 46 -5.077 -2.244 -1.939
177 HB THR 46 HB THR 46 -4.044 -3.813 0.432
178 HG1 THR 46 HG1 THR 46 -3.146 -3.612 -2.267
179 HG21 THR 46 HG21 THR 46 -4.739 -5.784 -0.814
180 HG22 THR 46 HG22 THR 46 -5.344 -4.770 -2.121
181 HG23 THR 46 HG23 THR 46 -6.123 -4.726 -0.540
182 H LEU 47 HN LEU 47 -5.229 -2.374 1.631
183 HA LEU 47 HA LEU 47 -8.061 -2.846 1.586
184 HB2 LEU 47 HB2 LEU 47 -6.140 -2.278 3.839
185 HB3 LEU 47 HB1 LEU 47 -7.848 -2.576 4.084
186 HG LEU 47 HG LEU 47 -6.682 -4.599 4.557
187 HD11 LEU 47 HD11 LEU 47 -7.937 -4.818 1.826
188 HD12 LEU 47 HD12 LEU 47 -8.793 -4.860 3.367
189 HD13 LEU 47 HD13 LEU 47 -7.662 -6.146 2.953
190 HD21 LEU 47 HD21 LEU 47 -4.616 -4.056 3.323
191 HD22 LEU 47 HD22 LEU 47 -5.447 -4.429 1.813
192 HD23 LEU 47 HD23 LEU 47 -5.188 -5.695 3.013
193 H PHE 48 HN PHE 48 -5.972 -0.077 2.225
194 HA PHE 48 HA PHE 48 -7.856 1.668 3.299
195 HB2 PHE 48 HB2 PHE 48 -5.412 2.097 3.217
196 HB3 PHE 48 HB1 PHE 48 -5.547 2.395 1.488
197 HD1 PHE 48 HD1 PHE 48 -6.990 3.553 4.724
198 HD2 PHE 48 HD2 PHE 48 -5.824 4.560 0.757
199 HE1 PHE 48 HE1 PHE 48 -7.496 5.919 5.179
200 HE2 PHE 48 HE2 PHE 48 -6.327 6.926 1.204
201 HZ PHE 48 HZ PHE 48 -7.170 7.607 3.416
202 H CYS 49 HN CYS 49 -6.979 1.141 -0.108
203 HA CYS 49 HA CYS 49 -8.772 3.070 -1.146
204 HB2 CYS 49 HB2 CYS 49 -6.862 2.232 -2.436
205 HB3 CYS 49 HB1 CYS 49 -7.586 0.628 -2.480
206 HG CYS 49 HG CYS 49 -9.518 3.084 -3.710
207 H LEU 50 HN LEU 50 -9.083 -0.348 -0.398
208 HA LEU 50 HA LEU 50 -11.565 -0.771 -1.683
209 HB2 LEU 50 HB2 LEU 50 -10.202 -2.178 0.609
210 HB3 LEU 50 HB1 LEU 50 -11.736 -2.717 -0.065
211 HG LEU 50 HG LEU 50 -9.217 -2.446 -1.705
212 HD11 LEU 50 HD11 LEU 50 -9.032 -4.890 -1.519
213 HD12 LEU 50 HD12 LEU 50 -10.347 -4.888 -0.343
214 HD13 LEU 50 HD13 LEU 50 -8.823 -4.084 0.036
215 HD21 LEU 50 HD21 LEU 50 -11.836 -3.858 -2.196
216 HD22 LEU 50 HD22 LEU 50 -10.430 -3.910 -3.258
217 HD23 LEU 50 HD23 LEU 50 -11.276 -2.386 -2.990
218 H LEU 51 HN LEU 51 -10.684 0.516 1.444
219 HA LEU 51 HA LEU 51 -13.363 0.403 2.499
220 HB2 LEU 51 HB2 LEU 51 -10.870 1.789 3.484
221 HB3 LEU 51 HB1 LEU 51 -12.388 1.750 4.361
222 HG LEU 51 HG LEU 51 -10.793 -0.705 3.623
223 HD11 LEU 51 HD11 LEU 51 -10.152 -0.773 5.979
224 HD12 LEU 51 HD12 LEU 51 -10.975 0.762 6.252
225 HD13 LEU 51 HD13 LEU 51 -9.562 0.694 5.199
226 HD21 LEU 51 HD21 LEU 51 -13.163 -0.307 5.448
227 HD22 LEU 51 HD22 LEU 51 -12.262 -1.811 5.251
228 HD23 LEU 51 HD23 LEU 51 -13.167 -1.142 3.894
229 H HIS 52 HN HIS 52 -11.437 2.669 0.715
230 HA HIS 52 HA HIS 52 -12.992 4.982 1.371
231 HB2 HIS 52 HB2 HIS 52 -10.623 5.115 0.669
232 HB3 HIS 52 HB1 HIS 52 -11.082 4.551 -0.934
233 HD1 HIS 52 HD1 HIS 52 -12.007 6.261 -2.551
234 HD2 HIS 52 HD2 HIS 52 -11.519 7.758 1.294
235 HE1 HIS 52 HE1 HIS 52 -12.364 8.742 -2.746
236 HE2 HIS 52 HE2 HIS 52 -12.029 9.634 -0.414
237 H PHE 53 HN PHE 53 -13.137 2.524 -1.119
238 HA PHE 53 HA PHE 53 -15.376 3.981 -2.362
239 HB2 PHE 53 HB2 PHE 53 -13.441 1.989 -3.539
240 HB3 PHE 53 HB1 PHE 53 -14.908 2.511 -4.366
241 HD1 PHE 53 HD1 PHE 53 -15.190 5.090 -4.625
242 HD2 PHE 53 HD2 PHE 53 -11.480 3.142 -3.886
243 HE1 PHE 53 HE1 PHE 53 -13.992 7.039 -5.527
244 HE2 PHE 53 HE2 PHE 53 -10.273 5.089 -4.785
245 HZ PHE 53 HZ PHE 53 -11.526 7.048 -5.589
246 H GLY 54 HN GLY 54 -14.540 1.258 -0.536
247 HA2 GLY 54 HA2 GLY 54 -16.155 -0.123 0.503
248 HA3 GLY 54 HA1 GLY 54 -17.269 0.235 -0.806
249 H VAL 55 HN VAL 55 -15.081 -0.337 -2.800
250 HA VAL 55 HA VAL 55 -14.133 -2.937 -2.544
251 HB VAL 55 HB VAL 55 -16.432 -3.645 -2.482
252 HG11 VAL 55 HG11 VAL 55 -16.773 -2.311 -5.153
253 HG12 VAL 55 HG12 VAL 55 -17.452 -1.751 -3.627
254 HG13 VAL 55 HG13 VAL 55 -17.978 -3.286 -4.318
255 HG21 VAL 55 HG21 VAL 55 -16.444 -5.199 -4.408
256 HG22 VAL 55 HG22 VAL 55 -14.897 -5.148 -3.563
257 HG23 VAL 55 HG23 VAL 55 -15.092 -4.302 -5.097
258 H ILE 56 HN ILE 56 -15.602 -0.753 -4.929
259 HA ILE 56 HA ILE 56 -13.169 -0.505 -6.380
260 HB ILE 56 HB ILE 56 -14.531 -1.316 -8.559
261 HG12 ILE 56 HG12 ILE 56 -15.363 -3.668 -7.918
262 HG13 ILE 56 HG11 ILE 56 -15.464 -3.045 -6.277
263 HG21 ILE 56 HG21 ILE 56 -12.837 -3.129 -6.852
264 HG22 ILE 56 HG22 ILE 56 -12.222 -1.874 -7.926
265 HG23 ILE 56 HG23 ILE 56 -13.094 -3.253 -8.592
266 HD11 ILE 56 HD11 ILE 56 -16.896 -1.881 -8.651
267 HD12 ILE 56 HD12 ILE 56 -17.056 -1.376 -6.968
268 HD13 ILE 56 HD13 ILE 56 -17.606 -2.975 -7.464
269 H GLY 57 HN GLY 57 -13.269 1.627 -6.619
270 HA2 GLY 57 HA2 GLY 57 -15.795 2.944 -7.183
271 HA3 GLY 57 HA1 GLY 57 -14.254 3.732 -6.880
272 HA PRO 58 HA PRO 58 -13.364 4.328 -11.161
273 HB2 PRO 58 HB2 PRO 58 -11.195 2.318 -11.270
274 HB3 PRO 58 HB1 PRO 58 -11.136 4.055 -11.582
275 HG2 PRO 58 HG2 PRO 58 -10.078 3.017 -9.360
276 HG3 PRO 58 HG1 PRO 58 -10.903 4.587 -9.343
277 HD2 PRO 58 HD2 PRO 58 -11.895 1.913 -8.437
278 HD3 PRO 58 HD1 PRO 58 -12.118 3.510 -7.690
279 H GLN 59 HN GLN 59 -12.905 3.135 -13.342
280 HA GLN 59 HA GLN 59 -14.701 0.808 -13.430
281 HB2 GLN 59 HB2 GLN 59 -15.043 1.403 -15.812
282 HB3 GLN 59 HB1 GLN 59 -15.530 2.685 -14.712
283 HG2 GLN 59 HG2 GLN 59 -13.425 3.854 -15.152
284 HG3 GLN 59 HG1 GLN 59 -12.958 2.574 -16.271
285 HE21 GLN 59 HE21 GLN 59 -14.032 2.386 -18.246
286 HE22 GLN 59 HE22 GLN 59 -14.966 3.682 -18.904
287 H ARG 60 HN ARG 60 -11.874 0.648 -12.778
288 HA ARG 60 HA ARG 60 -10.494 -0.338 -15.096
289 HB2 ARG 60 HB2 ARG 60 -9.355 0.720 -13.132
290 HB3 ARG 60 HB1 ARG 60 -9.769 -0.701 -12.184
291 HG2 ARG 60 HG2 ARG 60 -7.511 -0.922 -12.894
292 HG3 ARG 60 HG1 ARG 60 -8.479 -2.077 -13.813
293 HD2 ARG 60 HD2 ARG 60 -6.836 -0.912 -15.223
294 HD3 ARG 60 HD1 ARG 60 -8.494 -0.589 -15.725
295 HE ARG 60 HE ARG 60 -7.999 1.494 -14.122
296 HH11 ARG 60 HH11 ARG 60 -6.141 0.086 -16.713
297 HH12 ARG 60 HH12 ARG 60 -5.385 1.579 -17.155
298 HH21 ARG 60 HH21 ARG 60 -7.008 3.464 -14.697
299 HH22 ARG 60 HH22 ARG 60 -5.877 3.500 -16.009
Start of MODEL 4
1 H1 ARG 28 HT1 ARG 28 27.280 0.590 -3.943
2 H2 ARG 28 HT2 ARG 28 25.642 0.253 -4.189
3 H3 ARG 28 HT3 ARG 28 26.235 0.462 -2.618
4 HA ARG 28 HA ARG 28 26.781 2.766 -3.113
5 HB2 ARG 28 HB2 ARG 28 27.084 2.474 -5.537
6 HB3 ARG 28 HB1 ARG 28 25.361 2.173 -5.718
7 HG2 ARG 28 HG2 ARG 28 24.895 4.445 -4.916
8 HG3 ARG 28 HG1 ARG 28 26.630 4.742 -4.790
9 HD2 ARG 28 HD2 ARG 28 25.108 4.074 -7.307
10 HD3 ARG 28 HD1 ARG 28 25.737 5.660 -6.863
11 HE ARG 28 HE ARG 28 27.730 3.581 -6.979
12 HH11 ARG 28 HH11 ARG 28 26.011 6.030 -8.765
13 HH12 ARG 28 HH12 ARG 28 27.230 6.176 -9.987
14 HH21 ARG 28 HH21 ARG 28 29.338 3.767 -8.586
15 HH22 ARG 28 HH22 ARG 28 29.119 4.891 -9.886
16 H ARG 29 HN ARG 29 23.767 1.607 -4.626
17 HA ARG 29 HA ARG 29 22.259 3.171 -2.655
18 HB2 ARG 29 HB2 ARG 29 21.334 1.920 -5.249
19 HB3 ARG 29 HB1 ARG 29 20.364 2.944 -4.198
20 HG2 ARG 29 HG2 ARG 29 21.834 4.823 -4.625
21 HG3 ARG 29 HG1 ARG 29 22.878 3.803 -5.616
22 HD2 ARG 29 HD2 ARG 29 21.391 5.164 -6.997
23 HD3 ARG 29 HD1 ARG 29 21.057 3.445 -7.192
24 HE ARG 29 HE ARG 29 19.359 4.427 -5.209
25 HH11 ARG 29 HH11 ARG 29 19.906 4.821 -8.630
26 HH12 ARG 29 HH12 ARG 29 18.252 5.196 -8.982
27 HH21 ARG 29 HH21 ARG 29 17.179 4.921 -5.666
28 HH22 ARG 29 HH22 ARG 29 16.704 5.255 -7.297
29 H CYS 30 HN CYS 30 20.197 2.215 -1.876
30 HA CYS 30 HA CYS 30 20.603 -0.625 -1.234
31 HB2 CYS 30 HB2 CYS 30 18.999 1.489 0.219
32 HB3 CYS 30 HB1 CYS 30 19.126 -0.197 0.711
33 HG CYS 30 HG CYS 30 21.200 2.330 1.272
34 H LEU 31 HN LEU 31 19.623 -1.541 -3.026
35 HA LEU 31 HA LEU 31 16.975 -0.785 -3.846
36 HB2 LEU 31 HB2 LEU 31 18.777 -3.078 -4.613
37 HB3 LEU 31 HB1 LEU 31 17.173 -2.863 -5.284
38 HG LEU 31 HG LEU 31 18.768 -2.025 -6.858
39 HD11 LEU 31 HD11 LEU 31 17.443 0.280 -5.439
40 HD12 LEU 31 HD12 LEU 31 16.702 -0.751 -6.664
41 HD13 LEU 31 HD13 LEU 31 18.055 0.296 -7.094
42 HD21 LEU 31 HD21 LEU 31 20.612 -1.664 -5.258
43 HD22 LEU 31 HD22 LEU 31 19.801 -0.205 -4.689
44 HD23 LEU 31 HD23 LEU 31 20.378 -0.303 -6.353
45 H PHE 32 HN PHE 32 18.387 -3.152 -1.726
46 HA PHE 32 HA PHE 32 16.048 -4.799 -1.519
47 HB2 PHE 32 HB2 PHE 32 18.298 -5.698 -1.085
48 HB3 PHE 32 HB1 PHE 32 18.472 -4.605 0.287
49 HD1 PHE 32 HD1 PHE 32 16.617 -7.525 -0.995
50 HD2 PHE 32 HD2 PHE 32 17.551 -5.128 2.396
51 HE1 PHE 32 HE1 PHE 32 15.609 -9.220 0.476
52 HE2 PHE 32 HE2 PHE 32 16.546 -6.819 3.874
53 HZ PHE 32 HZ PHE 32 15.564 -8.862 2.915
54 H LEU 33 HN LEU 33 17.370 -2.057 0.197
55 HA LEU 33 HA LEU 33 15.544 -2.241 2.409
56 HB2 LEU 33 HB2 LEU 33 17.934 -1.090 2.123
57 HB3 LEU 33 HB1 LEU 33 16.931 0.302 1.771
58 HG LEU 33 HG LEU 33 16.456 -1.306 4.249
59 HD11 LEU 33 HD11 LEU 33 18.847 -0.761 4.212
60 HD12 LEU 33 HD12 LEU 33 17.986 0.132 5.466
61 HD13 LEU 33 HD13 LEU 33 18.447 0.939 3.967
62 HD21 LEU 33 HD21 LEU 33 16.034 1.593 3.534
63 HD22 LEU 33 HD22 LEU 33 15.630 0.845 5.079
64 HD23 LEU 33 HD23 LEU 33 14.788 0.347 3.612
65 H SER 34 HN SER 34 15.827 -0.261 -0.504
66 HA SER 34 HA SER 34 13.707 1.487 -0.050
67 HB2 SER 34 HB2 SER 34 13.652 1.796 -2.495
68 HB3 SER 34 HB1 SER 34 15.309 1.784 -1.891
69 HG SER 34 HG SER 34 14.000 -0.024 -3.529
70 H LEU 35 HN LEU 35 13.742 -1.838 -1.085
71 HA LEU 35 HA LEU 35 11.051 -1.936 -2.015
72 HB2 LEU 35 HB2 LEU 35 12.790 -3.561 -2.681
73 HB3 LEU 35 HB1 LEU 35 12.820 -4.179 -1.040
74 HG LEU 35 HG LEU 35 10.183 -4.189 -2.389
75 HD11 LEU 35 HD11 LEU 35 11.645 -4.884 -4.208
76 HD12 LEU 35 HD12 LEU 35 10.687 -6.239 -3.612
77 HD13 LEU 35 HD13 LEU 35 12.386 -6.095 -3.163
78 HD21 LEU 35 HD21 LEU 35 10.022 -6.350 -1.245
79 HD22 LEU 35 HD22 LEU 35 10.465 -5.057 -0.130
80 HD23 LEU 35 HD23 LEU 35 11.693 -6.185 -0.704
81 H PHE 36 HN PHE 36 12.588 -2.210 1.091
82 HA PHE 36 HA PHE 36 10.553 -3.539 2.502
83 HB2 PHE 36 HB2 PHE 36 12.870 -3.130 3.344
84 HB3 PHE 36 HB1 PHE 36 12.446 -1.438 3.578
85 HD1 PHE 36 HD1 PHE 36 11.937 -4.862 4.771
86 HD2 PHE 36 HD2 PHE 36 11.033 -0.751 5.398
87 HE1 PHE 36 HE1 PHE 36 11.082 -5.396 7.016
88 HE2 PHE 36 HE2 PHE 36 10.178 -1.278 7.645
89 HZ PHE 36 HZ PHE 36 10.216 -3.598 8.462
90 H SER 37 HN SER 37 10.778 -0.312 1.306
91 HA SER 37 HA SER 37 8.727 0.737 3.060
92 HB2 SER 37 HB2 SER 37 9.937 2.018 0.602
93 HB3 SER 37 HB1 SER 37 9.021 2.824 1.874
94 HG SER 37 HG SER 37 11.657 1.981 1.845
95 H PHE 38 HN PHE 38 9.033 -0.135 -0.369
96 HA PHE 38 HA PHE 38 6.460 0.635 -1.171
97 HB2 PHE 38 HB2 PHE 38 8.123 -1.632 -2.281
98 HB3 PHE 38 HB1 PHE 38 6.794 -0.821 -3.099
99 HD1 PHE 38 HD1 PHE 38 7.257 1.965 -2.748
100 HD2 PHE 38 HD2 PHE 38 10.099 -1.144 -3.351
101 HE1 PHE 38 HE1 PHE 38 8.831 3.595 -3.707
102 HE2 PHE 38 HE2 PHE 38 11.678 0.481 -4.310
103 HZ PHE 38 HZ PHE 38 11.052 2.844 -4.492
104 H LEU 39 HN LEU 39 7.651 -2.293 0.345
105 HA LEU 39 HA LEU 39 5.443 -3.950 -0.091
106 HB2 LEU 39 HB2 LEU 39 7.678 -4.624 0.825
107 HB3 LEU 39 HB1 LEU 39 7.199 -3.931 2.362
108 HG LEU 39 HG LEU 39 5.414 -5.967 1.153
109 HD11 LEU 39 HD11 LEU 39 6.751 -7.791 2.078
110 HD12 LEU 39 HD12 LEU 39 8.022 -6.646 2.502
111 HD13 LEU 39 HD13 LEU 39 7.625 -6.934 0.808
112 HD21 LEU 39 HD21 LEU 39 6.343 -5.396 3.965
113 HD22 LEU 39 HD22 LEU 39 5.137 -6.597 3.507
114 HD23 LEU 39 HD23 LEU 39 4.815 -4.883 3.251
115 H ILE 40 HN ILE 40 5.961 -1.344 2.153
116 HA ILE 40 HA ILE 40 3.657 -1.980 3.772
117 HB ILE 40 HB ILE 40 5.320 0.542 3.711
118 HG12 ILE 40 HG12 ILE 40 5.441 -1.771 5.656
119 HG13 ILE 40 HG11 ILE 40 6.557 -1.561 4.311
120 HG21 ILE 40 HG21 ILE 40 3.324 -0.459 5.739
121 HG22 ILE 40 HG22 ILE 40 3.112 0.917 4.656
122 HG23 ILE 40 HG23 ILE 40 4.340 0.972 5.921
123 HD11 ILE 40 HD11 ILE 40 7.310 0.552 5.271
124 HD12 ILE 40 HD12 ILE 40 7.531 -0.790 6.393
125 HD13 ILE 40 HD13 ILE 40 6.193 0.337 6.619
126 H VAL 41 HN VAL 41 4.513 0.512 1.381
127 HA VAL 41 HA VAL 41 2.049 1.864 1.445
128 HB VAL 41 HB VAL 41 4.269 2.638 0.406
129 HG11 VAL 41 HG11 VAL 41 4.519 2.256 -1.977
130 HG12 VAL 41 HG12 VAL 41 3.103 1.204 -1.970
131 HG13 VAL 41 HG13 VAL 41 4.555 0.732 -1.093
132 HG21 VAL 41 HG21 VAL 41 3.089 4.114 -1.174
133 HG22 VAL 41 HG22 VAL 41 2.253 3.982 0.373
134 HG23 VAL 41 HG23 VAL 41 1.655 3.097 -1.029
135 H LEU 42 HN LEU 42 2.927 -1.147 0.097
136 HA LEU 42 HA LEU 42 0.838 -1.181 -1.905
137 HB2 LEU 42 HB2 LEU 42 3.171 -2.418 -1.856
138 HB3 LEU 42 HB1 LEU 42 2.255 -3.647 -0.995
139 HG LEU 42 HG LEU 42 2.404 -4.184 -3.361
140 HD11 LEU 42 HD11 LEU 42 0.030 -4.469 -3.860
141 HD12 LEU 42 HD12 LEU 42 -0.378 -3.329 -2.577
142 HD13 LEU 42 HD13 LEU 42 0.390 -4.866 -2.180
143 HD21 LEU 42 HD21 LEU 42 1.368 -2.774 -5.057
144 HD22 LEU 42 HD22 LEU 42 2.670 -1.919 -4.230
145 HD23 LEU 42 HD23 LEU 42 0.988 -1.565 -3.832
146 H LEU 43 HN LEU 43 1.534 -3.185 0.970
147 HA LEU 43 HA LEU 43 -0.903 -4.510 1.081
148 HB2 LEU 43 HB2 LEU 43 0.966 -3.725 3.315
149 HB3 LEU 43 HB1 LEU 43 -0.389 -4.819 3.517
150 HG LEU 43 HG LEU 43 1.959 -5.299 1.678
151 HD11 LEU 43 HD11 LEU 43 2.620 -5.382 4.021
152 HD12 LEU 43 HD12 LEU 43 2.624 -6.995 3.307
153 HD13 LEU 43 HD13 LEU 43 1.301 -6.501 4.364
154 HD21 LEU 43 HD21 LEU 43 1.046 -7.567 1.510
155 HD22 LEU 43 HD22 LEU 43 -0.082 -6.363 0.891
156 HD23 LEU 43 HD23 LEU 43 -0.342 -7.077 2.482
157 H LEU 44 HN LEU 44 -0.138 -1.255 1.939
158 HA LEU 44 HA LEU 44 -2.463 -0.879 3.606
159 HB2 LEU 44 HB2 LEU 44 -0.436 1.036 2.467
160 HB3 LEU 44 HB1 LEU 44 -1.794 1.553 3.445
161 HG LEU 44 HG LEU 44 0.426 -0.283 4.348
162 HD11 LEU 44 HD11 LEU 44 1.053 1.595 5.792
163 HD12 LEU 44 HD12 LEU 44 -0.200 2.583 5.040
164 HD13 LEU 44 HD13 LEU 44 1.167 2.013 4.082
165 HD21 LEU 44 HD21 LEU 44 -0.584 -0.058 6.569
166 HD22 LEU 44 HD22 LEU 44 -1.682 -0.838 5.431
167 HD23 LEU 44 HD23 LEU 44 -1.919 0.856 5.866
168 H THR 45 HN THR 45 -1.442 0.272 0.390
169 HA THR 45 HA THR 45 -3.750 1.693 -0.244
170 HB THR 45 HB THR 45 -3.114 1.158 -2.670
171 HG1 THR 45 HG1 THR 45 -0.674 0.449 -2.417
172 HG21 THR 45 HG21 THR 45 -2.464 3.223 -1.545
173 HG22 THR 45 HG22 THR 45 -1.160 2.641 -2.580
174 HG23 THR 45 HG23 THR 45 -1.069 2.410 -0.834
175 H THR 46 HN THR 46 -3.229 -1.728 -0.149
176 HA THR 46 HA THR 46 -5.277 -2.515 -1.938
177 HB THR 46 HB THR 46 -4.201 -4.043 0.441
178 HG1 THR 46 HG1 THR 46 -2.966 -3.303 -1.763
179 HG21 THR 46 HG21 THR 46 -4.989 -6.027 -0.756
180 HG22 THR 46 HG22 THR 46 -5.646 -5.003 -2.034
181 HG23 THR 46 HG23 THR 46 -6.328 -4.932 -0.408
182 H LEU 47 HN LEU 47 -5.265 -2.540 1.634
183 HA LEU 47 HA LEU 47 -8.089 -2.951 1.776
184 HB2 LEU 47 HB2 LEU 47 -6.064 -2.181 3.873
185 HB3 LEU 47 HB1 LEU 47 -7.748 -2.530 4.220
186 HG LEU 47 HG LEU 47 -5.815 -4.500 2.992
187 HD11 LEU 47 HD11 LEU 47 -5.156 -3.986 5.266
188 HD12 LEU 47 HD12 LEU 47 -5.868 -5.597 5.189
189 HD13 LEU 47 HD13 LEU 47 -6.807 -4.247 5.829
190 HD21 LEU 47 HD21 LEU 47 -7.568 -6.138 3.539
191 HD22 LEU 47 HD22 LEU 47 -8.117 -4.936 2.371
192 HD23 LEU 47 HD23 LEU 47 -8.618 -4.820 4.059
193 H PHE 48 HN PHE 48 -5.965 -0.162 2.307
194 HA PHE 48 HA PHE 48 -7.831 1.665 3.223
195 HB2 PHE 48 HB2 PHE 48 -5.422 2.113 3.189
196 HB3 PHE 48 HB1 PHE 48 -5.450 2.196 1.431
197 HD1 PHE 48 HD1 PHE 48 -6.061 4.174 0.317
198 HD2 PHE 48 HD2 PHE 48 -6.645 3.839 4.519
199 HE1 PHE 48 HE1 PHE 48 -6.544 6.584 0.437
200 HE2 PHE 48 HE2 PHE 48 -7.131 6.248 4.647
201 HZ PHE 48 HZ PHE 48 -7.094 7.620 2.615
202 H CYS 49 HN CYS 49 -7.184 0.602 -0.066
203 HA CYS 49 HA CYS 49 -8.758 2.610 -1.334
204 HB2 CYS 49 HB2 CYS 49 -7.028 1.410 -2.570
205 HB3 CYS 49 HB1 CYS 49 -7.881 -0.111 -2.324
206 HG CYS 49 HG CYS 49 -10.006 0.479 -3.963
207 H LEU 50 HN LEU 50 -9.353 -0.759 -0.417
208 HA LEU 50 HA LEU 50 -11.962 -0.964 -1.431
209 HB2 LEU 50 HB2 LEU 50 -10.788 -2.383 0.966
210 HB3 LEU 50 HB1 LEU 50 -12.187 -2.900 0.030
211 HG LEU 50 HG LEU 50 -9.458 -2.626 -1.212
212 HD11 LEU 50 HD11 LEU 50 -9.061 -4.954 -0.826
213 HD12 LEU 50 HD12 LEU 50 -10.635 -5.144 -0.051
214 HD13 LEU 50 HD13 LEU 50 -9.378 -4.182 0.728
215 HD21 LEU 50 HD21 LEU 50 -10.390 -4.186 -2.849
216 HD22 LEU 50 HD22 LEU 50 -11.354 -2.713 -2.738
217 HD23 LEU 50 HD23 LEU 50 -11.917 -4.197 -1.968
218 H LEU 51 HN LEU 51 -10.705 0.370 1.537
219 HA LEU 51 HA LEU 51 -13.279 0.585 2.811
220 HB2 LEU 51 HB2 LEU 51 -10.595 1.780 3.508
221 HB3 LEU 51 HB1 LEU 51 -12.028 1.895 4.514
222 HG LEU 51 HG LEU 51 -10.699 -0.706 3.746
223 HD11 LEU 51 HD11 LEU 51 -9.889 -0.743 6.064
224 HD12 LEU 51 HD12 LEU 51 -10.514 0.890 6.298
225 HD13 LEU 51 HD13 LEU 51 -9.212 0.601 5.144
226 HD21 LEU 51 HD21 LEU 51 -13.063 -0.947 4.236
227 HD22 LEU 51 HD22 LEU 51 -12.864 -0.053 5.743
228 HD23 LEU 51 HD23 LEU 51 -12.097 -1.629 5.544
229 H HIS 52 HN HIS 52 -11.371 2.492 0.663
230 HA HIS 52 HA HIS 52 -12.627 5.000 1.303
231 HB2 HIS 52 HB2 HIS 52 -10.310 4.806 0.380
232 HB3 HIS 52 HB1 HIS 52 -11.009 4.279 -1.147
233 HD1 HIS 52 HD1 HIS 52 -12.108 6.071 -2.628
234 HD2 HIS 52 HD2 HIS 52 -10.612 7.545 0.959
235 HE1 HIS 52 HE1 HIS 52 -12.131 8.575 -2.866
236 HE2 HIS 52 HE2 HIS 52 -11.160 9.443 -0.709
237 H PHE 53 HN PHE 53 -12.671 2.948 -1.623
238 HA PHE 53 HA PHE 53 -14.820 4.318 -2.830
239 HB2 PHE 53 HB2 PHE 53 -13.613 1.599 -3.293
240 HB3 PHE 53 HB1 PHE 53 -14.985 2.178 -4.232
241 HD1 PHE 53 HD1 PHE 53 -11.419 2.600 -3.538
242 HD2 PHE 53 HD2 PHE 53 -14.733 3.953 -5.839
243 HE1 PHE 53 HE1 PHE 53 -9.881 3.779 -5.054
244 HE2 PHE 53 HE2 PHE 53 -13.202 5.134 -7.360
245 HZ PHE 53 HZ PHE 53 -10.772 5.048 -6.968
246 H GLY 54 HN GLY 54 -14.700 1.803 -0.447
247 HA2 GLY 54 HA2 GLY 54 -16.423 1.049 0.908
248 HA3 GLY 54 HA1 GLY 54 -17.543 2.028 -0.026
249 H VAL 55 HN VAL 55 -15.403 -0.246 -1.566
250 HA VAL 55 HA VAL 55 -17.213 -1.511 -3.143
251 HB VAL 55 HB VAL 55 -14.887 -1.931 -3.458
252 HG11 VAL 55 HG11 VAL 55 -13.622 -3.390 -1.863
253 HG12 VAL 55 HG12 VAL 55 -14.958 -3.188 -0.733
254 HG13 VAL 55 HG13 VAL 55 -14.029 -1.786 -1.255
255 HG21 VAL 55 HG21 VAL 55 -16.385 -3.701 -4.219
256 HG22 VAL 55 HG22 VAL 55 -16.241 -4.503 -2.655
257 HG23 VAL 55 HG23 VAL 55 -14.832 -4.361 -3.706
258 H ILE 56 HN ILE 56 -16.426 -2.343 0.185
259 HA ILE 56 HA ILE 56 -18.981 -3.609 0.527
260 HB ILE 56 HB ILE 56 -17.585 -5.634 1.615
261 HG12 ILE 56 HG12 ILE 56 -15.989 -6.408 -0.197
262 HG13 ILE 56 HG11 ILE 56 -16.059 -4.775 -0.846
263 HG21 ILE 56 HG21 ILE 56 -18.580 -5.499 -1.226
264 HG22 ILE 56 HG22 ILE 56 -19.555 -5.829 0.206
265 HG23 ILE 56 HG23 ILE 56 -18.312 -6.973 -0.296
266 HD11 ILE 56 HD11 ILE 56 -14.082 -5.159 0.540
267 HD12 ILE 56 HD12 ILE 56 -15.126 -5.500 1.920
268 HD13 ILE 56 HD13 ILE 56 -15.118 -3.892 1.194
269 H GLY 57 HN GLY 57 -19.156 -1.910 2.011
270 HA2 GLY 57 HA2 GLY 57 -17.754 -2.437 4.550
271 HA3 GLY 57 HA1 GLY 57 -17.953 -0.797 3.950
272 HA PRO 58 HA PRO 58 -21.858 -0.482 5.972
273 HB2 PRO 58 HB2 PRO 58 -23.135 0.724 3.626
274 HB3 PRO 58 HB1 PRO 58 -22.739 1.457 5.181
275 HG2 PRO 58 HG2 PRO 58 -21.426 2.101 2.915
276 HG3 PRO 58 HG1 PRO 58 -20.631 2.087 4.500
277 HD2 PRO 58 HD2 PRO 58 -20.547 0.034 2.319
278 HD3 PRO 58 HD1 PRO 58 -19.230 0.638 3.349
279 H GLN 59 HN GLN 59 -24.403 -0.628 5.294
280 HA GLN 59 HA GLN 59 -24.729 -3.097 3.723
281 HB2 GLN 59 HB2 GLN 59 -26.120 -2.462 6.332
282 HB3 GLN 59 HB1 GLN 59 -26.383 -3.893 5.347
283 HG2 GLN 59 HG2 GLN 59 -24.026 -4.533 5.714
284 HG3 GLN 59 HG1 GLN 59 -23.849 -3.142 6.784
285 HE21 GLN 59 HE21 GLN 59 -25.273 -6.282 6.369
286 HE22 GLN 59 HE22 GLN 59 -25.725 -6.522 8.019
287 H ARG 60 HN ARG 60 -25.374 -1.695 1.994
288 HA ARG 60 HA ARG 60 -28.086 -0.600 2.342
289 HB2 ARG 60 HB2 ARG 60 -27.442 0.879 0.349
290 HB3 ARG 60 HB1 ARG 60 -26.741 1.270 1.911
291 HG2 ARG 60 HG2 ARG 60 -24.671 0.126 1.259
292 HG3 ARG 60 HG1 ARG 60 -25.378 -0.228 -0.318
293 HD2 ARG 60 HD2 ARG 60 -25.589 2.155 -0.773
294 HD3 ARG 60 HD1 ARG 60 -24.928 2.530 0.818
295 HE ARG 60 HE ARG 60 -23.084 0.921 -0.522
296 HH11 ARG 60 HH11 ARG 60 -24.481 4.103 -0.786
297 HH12 ARG 60 HH12 ARG 60 -23.089 4.791 -1.552
298 HH21 ARG 60 HH21 ARG 60 -21.247 1.820 -1.536
299 HH22 ARG 60 HH22 ARG 60 -21.252 3.495 -1.978
Start of MODEL 5
1 H1 ARG 28 HT1 ARG 28 26.643 -0.933 0.331
2 H2 ARG 28 HT2 ARG 28 28.297 -0.602 0.205
3 H3 ARG 28 HT3 ARG 28 27.238 -0.096 -1.014
4 HA ARG 28 HA ARG 28 27.265 0.878 1.783
5 HB2 ARG 28 HB2 ARG 28 28.000 3.012 0.783
6 HB3 ARG 28 HB1 ARG 28 29.162 1.721 0.518
7 HG2 ARG 28 HG2 ARG 28 28.388 1.451 -1.761
8 HG3 ARG 28 HG1 ARG 28 27.147 2.679 -1.506
9 HD2 ARG 28 HD2 ARG 28 29.090 3.584 -2.692
10 HD3 ARG 28 HD1 ARG 28 28.859 4.361 -1.126
11 HE ARG 28 HE ARG 28 30.646 2.243 -0.787
12 HH11 ARG 28 HH11 ARG 28 30.489 5.318 -2.420
13 HH12 ARG 28 HH12 ARG 28 32.194 5.605 -2.317
14 HH21 ARG 28 HH21 ARG 28 32.891 2.611 -0.651
15 HH22 ARG 28 HH22 ARG 28 33.560 4.066 -1.313
16 H ARG 29 HN ARG 29 25.157 -0.161 -0.282
17 HA ARG 29 HA ARG 29 23.301 2.079 0.154
18 HB2 ARG 29 HB2 ARG 29 22.278 1.667 -2.030
19 HB3 ARG 29 HB1 ARG 29 23.979 2.079 -2.203
20 HG2 ARG 29 HG2 ARG 29 24.508 -0.312 -2.461
21 HG3 ARG 29 HG1 ARG 29 22.786 -0.683 -2.356
22 HD2 ARG 29 HD2 ARG 29 23.478 -0.629 -4.673
23 HD3 ARG 29 HD1 ARG 29 22.388 0.716 -4.343
24 HE ARG 29 HE ARG 29 25.180 1.375 -4.102
25 HH11 ARG 29 HH11 ARG 29 22.451 1.148 -6.259
26 HH12 ARG 29 HH12 ARG 29 23.098 2.279 -7.400
27 HH21 ARG 29 HH21 ARG 29 26.040 2.859 -5.603
28 HH22 ARG 29 HH22 ARG 29 25.138 3.249 -7.031
29 H CYS 30 HN CYS 30 21.023 1.439 0.163
30 HA CYS 30 HA CYS 30 20.705 -1.271 1.257
31 HB2 CYS 30 HB2 CYS 30 18.609 -0.345 2.279
32 HB3 CYS 30 HB1 CYS 30 20.093 0.404 2.855
33 HG CYS 30 HG CYS 30 17.483 1.780 1.344
34 H LEU 31 HN LEU 31 20.335 -2.462 -0.577
35 HA LEU 31 HA LEU 31 18.373 -1.618 -2.525
36 HB2 LEU 31 HB2 LEU 31 19.899 -4.210 -2.257
37 HB3 LEU 31 HB1 LEU 31 18.885 -3.773 -3.618
38 HG LEU 31 HG LEU 31 21.376 -2.284 -2.786
39 HD11 LEU 31 HD11 LEU 31 20.929 -4.238 -5.038
40 HD12 LEU 31 HD12 LEU 31 21.920 -4.507 -3.604
41 HD13 LEU 31 HD13 LEU 31 22.386 -3.280 -4.781
42 HD21 LEU 31 HD21 LEU 31 19.756 -0.862 -3.910
43 HD22 LEU 31 HD22 LEU 31 19.611 -2.033 -5.220
44 HD23 LEU 31 HD23 LEU 31 21.134 -1.180 -4.963
45 H PHE 32 HN PHE 32 18.652 -4.111 -0.025
46 HA PHE 32 HA PHE 32 16.085 -5.247 -0.559
47 HB2 PHE 32 HB2 PHE 32 17.894 -5.494 1.853
48 HB3 PHE 32 HB1 PHE 32 16.447 -6.459 1.581
49 HD1 PHE 32 HD1 PHE 32 16.376 -8.093 -0.257
50 HD2 PHE 32 HD2 PHE 32 19.930 -5.966 0.722
51 HE1 PHE 32 HE1 PHE 32 17.701 -9.727 -1.531
52 HE2 PHE 32 HE2 PHE 32 21.262 -7.596 -0.552
53 HZ PHE 32 HZ PHE 32 20.149 -9.472 -1.690
54 H LEU 33 HN LEU 33 17.351 -3.165 2.032
55 HA LEU 33 HA LEU 33 15.059 -2.841 3.526
56 HB2 LEU 33 HB2 LEU 33 17.609 -1.603 3.322
57 HB3 LEU 33 HB1 LEU 33 16.405 -0.331 3.405
58 HG LEU 33 HG LEU 33 15.495 -1.473 5.466
59 HD11 LEU 33 HD11 LEU 33 18.091 -2.990 5.269
60 HD12 LEU 33 HD12 LEU 33 16.474 -3.673 5.097
61 HD13 LEU 33 HD13 LEU 33 16.989 -3.001 6.645
62 HD21 LEU 33 HD21 LEU 33 17.221 -0.549 6.924
63 HD22 LEU 33 HD22 LEU 33 16.885 0.534 5.571
64 HD23 LEU 33 HD23 LEU 33 18.337 -0.468 5.561
65 H SER 34 HN SER 34 16.095 -0.978 0.687
66 HA SER 34 HA SER 34 14.007 0.898 0.723
67 HB2 SER 34 HB2 SER 34 14.591 1.299 -1.647
68 HB3 SER 34 HB1 SER 34 16.021 1.234 -0.616
69 HG SER 34 HG SER 34 15.380 -1.218 -1.564
70 H LEU 35 HN LEU 35 14.116 -2.399 -0.323
71 HA LEU 35 HA LEU 35 11.729 -2.233 -1.932
72 HB2 LEU 35 HB2 LEU 35 13.563 -3.838 -2.398
73 HB3 LEU 35 HB1 LEU 35 13.189 -4.664 -0.899
74 HG LEU 35 HG LEU 35 10.952 -4.366 -2.818
75 HD11 LEU 35 HD11 LEU 35 12.793 -4.907 -4.320
76 HD12 LEU 35 HD12 LEU 35 11.700 -6.280 -4.144
77 HD13 LEU 35 HD13 LEU 35 13.244 -6.268 -3.293
78 HD21 LEU 35 HD21 LEU 35 10.691 -5.523 -0.676
79 HD22 LEU 35 HD22 LEU 35 11.967 -6.652 -1.131
80 HD23 LEU 35 HD23 LEU 35 10.453 -6.621 -2.036
81 H PHE 36 HN PHE 36 12.471 -2.708 1.385
82 HA PHE 36 HA PHE 36 10.060 -4.123 2.051
83 HB2 PHE 36 HB2 PHE 36 12.373 -3.017 3.555
84 HB3 PHE 36 HB1 PHE 36 10.869 -3.250 4.441
85 HD1 PHE 36 HD1 PHE 36 13.164 -5.067 2.133
86 HD2 PHE 36 HD2 PHE 36 10.445 -5.299 5.395
87 HE1 PHE 36 HE1 PHE 36 13.699 -7.453 2.403
88 HE2 PHE 36 HE2 PHE 36 10.975 -7.685 5.673
89 HZ PHE 36 HZ PHE 36 12.603 -8.766 4.176
90 H SER 37 HN SER 37 10.589 -0.990 1.145
91 HA SER 37 HA SER 37 8.607 0.150 2.969
92 HB2 SER 37 HB2 SER 37 9.193 2.313 1.919
93 HB3 SER 37 HB1 SER 37 10.607 1.491 2.579
94 HG SER 37 HG SER 37 9.811 1.364 -0.141
95 H PHE 38 HN PHE 38 9.125 -0.411 -0.490
96 HA PHE 38 HA PHE 38 6.807 0.779 -1.469
97 HB2 PHE 38 HB2 PHE 38 8.313 -1.633 -2.498
98 HB3 PHE 38 HB1 PHE 38 7.052 -0.795 -3.398
99 HD1 PHE 38 HD1 PHE 38 7.415 1.728 -3.817
100 HD2 PHE 38 HD2 PHE 38 10.516 -0.963 -2.700
101 HE1 PHE 38 HE1 PHE 38 9.091 3.294 -4.709
102 HE2 PHE 38 HE2 PHE 38 12.197 0.597 -3.587
103 HZ PHE 38 HZ PHE 38 11.476 2.738 -4.599
104 H LEU 39 HN LEU 39 7.300 -2.366 0.001
105 HA LEU 39 HA LEU 39 4.787 -3.468 -0.715
106 HB2 LEU 39 HB2 LEU 39 6.863 -4.704 0.073
107 HB3 LEU 39 HB1 LEU 39 6.425 -4.217 1.699
108 HG LEU 39 HG LEU 39 4.450 -5.697 0.006
109 HD11 LEU 39 HD11 LEU 39 6.500 -7.003 -0.129
110 HD12 LEU 39 HD12 LEU 39 5.307 -7.809 0.888
111 HD13 LEU 39 HD13 LEU 39 6.661 -6.953 1.627
112 HD21 LEU 39 HD21 LEU 39 3.736 -6.527 2.225
113 HD22 LEU 39 HD22 LEU 39 3.646 -4.772 2.088
114 HD23 LEU 39 HD23 LEU 39 4.976 -5.520 2.972
115 H ILE 40 HN ILE 40 5.947 -1.714 2.128
116 HA ILE 40 HA ILE 40 3.614 -1.998 3.683
117 HB ILE 40 HB ILE 40 5.625 0.255 3.758
118 HG12 ILE 40 HG12 ILE 40 5.548 -2.304 5.373
119 HG13 ILE 40 HG11 ILE 40 6.613 -2.025 3.999
120 HG21 ILE 40 HG21 ILE 40 3.660 -0.716 5.829
121 HG22 ILE 40 HG22 ILE 40 3.571 0.802 4.936
122 HG23 ILE 40 HG23 ILE 40 4.883 0.529 6.083
123 HD11 ILE 40 HD11 ILE 40 7.679 -0.188 5.200
124 HD12 ILE 40 HD12 ILE 40 7.779 -1.701 6.101
125 HD13 ILE 40 HD13 ILE 40 6.610 -0.468 6.574
126 H VAL 41 HN VAL 41 4.508 0.239 1.147
127 HA VAL 41 HA VAL 41 2.361 2.074 1.665
128 HB VAL 41 HB VAL 41 4.170 1.785 -0.737
129 HG11 VAL 41 HG11 VAL 41 3.383 4.054 -1.337
130 HG12 VAL 41 HG12 VAL 41 2.179 3.947 -0.052
131 HG13 VAL 41 HG13 VAL 41 2.105 2.841 -1.423
132 HG21 VAL 41 HG21 VAL 41 5.334 2.415 1.307
133 HG22 VAL 41 HG22 VAL 41 4.197 3.738 1.560
134 HG23 VAL 41 HG23 VAL 41 5.284 3.762 0.172
135 H LEU 42 HN LEU 42 3.000 -0.325 -0.907
136 HA LEU 42 HA LEU 42 0.535 0.042 -2.210
137 HB2 LEU 42 HB2 LEU 42 1.012 -2.025 -3.388
138 HB3 LEU 42 HB1 LEU 42 2.440 -1.002 -3.309
139 HG LEU 42 HG LEU 42 2.976 -2.515 -1.198
140 HD11 LEU 42 HD11 LEU 42 1.292 -4.322 -2.926
141 HD12 LEU 42 HD12 LEU 42 0.874 -3.761 -1.308
142 HD13 LEU 42 HD13 LEU 42 2.268 -4.817 -1.542
143 HD21 LEU 42 HD21 LEU 42 4.303 -3.951 -2.669
144 HD22 LEU 42 HD22 LEU 42 4.391 -2.260 -3.164
145 HD23 LEU 42 HD23 LEU 42 3.371 -3.387 -4.058
146 H LEU 43 HN LEU 43 1.490 -2.007 0.469
147 HA LEU 43 HA LEU 43 -0.892 -3.580 0.473
148 HB2 LEU 43 HB2 LEU 43 1.188 -4.373 1.498
149 HB3 LEU 43 HB1 LEU 43 1.113 -3.075 2.674
150 HG LEU 43 HG LEU 43 -0.997 -4.041 3.559
151 HD11 LEU 43 HD11 LEU 43 -1.605 -6.327 2.916
152 HD12 LEU 43 HD12 LEU 43 -0.369 -6.296 1.658
153 HD13 LEU 43 HD13 LEU 43 -1.751 -5.204 1.564
154 HD21 LEU 43 HD21 LEU 43 1.364 -5.916 3.514
155 HD22 LEU 43 HD22 LEU 43 0.053 -5.933 4.694
156 HD23 LEU 43 HD23 LEU 43 1.144 -4.550 4.607
157 H LEU 44 HN LEU 44 0.012 -0.487 1.729
158 HA LEU 44 HA LEU 44 -2.131 -0.294 3.628
159 HB2 LEU 44 HB2 LEU 44 -0.397 1.073 4.253
160 HB3 LEU 44 HB1 LEU 44 0.030 1.470 2.601
161 HG LEU 44 HG LEU 44 -1.975 2.941 2.495
162 HD11 LEU 44 HD11 LEU 44 -2.106 2.399 5.458
163 HD12 LEU 44 HD12 LEU 44 -3.295 1.895 4.258
164 HD13 LEU 44 HD13 LEU 44 -3.047 3.609 4.589
165 HD21 LEU 44 HD21 LEU 44 0.253 3.837 2.944
166 HD22 LEU 44 HD22 LEU 44 0.009 3.582 4.672
167 HD23 LEU 44 HD23 LEU 44 -0.990 4.746 3.803
168 H THR 45 HN THR 45 -1.499 0.804 0.333
169 HA THR 45 HA THR 45 -3.907 2.299 0.076
170 HB THR 45 HB THR 45 -3.413 2.037 -2.434
171 HG1 THR 45 HG1 THR 45 -0.822 1.498 -2.120
172 HG21 THR 45 HG21 THR 45 -1.324 3.282 -0.642
173 HG22 THR 45 HG22 THR 45 -2.845 4.033 -1.131
174 HG23 THR 45 HG23 THR 45 -1.607 3.679 -2.337
175 H THR 46 HN THR 46 -3.095 -1.062 -0.295
176 HA THR 46 HA THR 46 -5.219 -1.849 -1.970
177 HB THR 46 HB THR 46 -3.816 -3.465 0.172
178 HG1 THR 46 HG1 THR 46 -2.967 -2.527 -2.178
179 HG21 THR 46 HG21 THR 46 -4.598 -5.423 -1.076
180 HG22 THR 46 HG22 THR 46 -5.482 -4.370 -2.181
181 HG23 THR 46 HG23 THR 46 -5.955 -4.464 -0.485
182 H LEU 47 HN LEU 47 -4.928 -1.984 1.582
183 HA LEU 47 HA LEU 47 -7.652 -2.719 1.961
184 HB2 LEU 47 HB2 LEU 47 -5.334 -2.006 3.673
185 HB3 LEU 47 HB1 LEU 47 -6.925 -1.842 4.376
186 HG LEU 47 HG LEU 47 -7.377 -4.220 3.881
187 HD11 LEU 47 HD11 LEU 47 -4.491 -4.293 3.012
188 HD12 LEU 47 HD12 LEU 47 -5.890 -4.447 1.949
189 HD13 LEU 47 HD13 LEU 47 -5.571 -5.679 3.169
190 HD21 LEU 47 HD21 LEU 47 -5.915 -5.143 5.592
191 HD22 LEU 47 HD22 LEU 47 -6.487 -3.543 6.061
192 HD23 LEU 47 HD23 LEU 47 -4.846 -3.749 5.451
193 H PHE 48 HN PHE 48 -5.836 0.285 1.996
194 HA PHE 48 HA PHE 48 -7.825 1.942 3.114
195 HB2 PHE 48 HB2 PHE 48 -5.452 2.590 2.939
196 HB3 PHE 48 HB1 PHE 48 -5.605 2.658 1.187
197 HD1 PHE 48 HD1 PHE 48 -6.331 4.603 0.123
198 HD2 PHE 48 HD2 PHE 48 -6.853 4.183 4.325
199 HE1 PHE 48 HE1 PHE 48 -7.019 6.960 0.271
200 HE2 PHE 48 HE2 PHE 48 -7.542 6.538 4.482
201 HZ PHE 48 HZ PHE 48 -7.606 7.938 2.448
202 H CYS 49 HN CYS 49 -7.250 0.764 -0.123
203 HA CYS 49 HA CYS 49 -9.060 2.581 -1.402
204 HB2 CYS 49 HB2 CYS 49 -7.223 1.592 -2.662
205 HB3 CYS 49 HB1 CYS 49 -7.854 -0.023 -2.362
206 HG CYS 49 HG CYS 49 -8.481 0.372 -4.957
207 H LEU 50 HN LEU 50 -9.203 -0.807 -0.364
208 HA LEU 50 HA LEU 50 -11.778 -1.379 -1.323
209 HB2 LEU 50 HB2 LEU 50 -10.327 -2.523 1.070
210 HB3 LEU 50 HB1 LEU 50 -11.764 -3.220 0.329
211 HG LEU 50 HG LEU 50 -9.197 -2.829 -1.201
212 HD11 LEU 50 HD11 LEU 50 -8.688 -5.166 -0.758
213 HD12 LEU 50 HD12 LEU 50 -10.092 -5.286 0.302
214 HD13 LEU 50 HD13 LEU 50 -8.739 -4.243 0.743
215 HD21 LEU 50 HD21 LEU 50 -11.594 -4.607 -1.630
216 HD22 LEU 50 HD22 LEU 50 -10.160 -4.541 -2.654
217 HD23 LEU 50 HD23 LEU 50 -11.220 -3.136 -2.528
218 H LEU 51 HN LEU 51 -10.654 0.190 1.587
219 HA LEU 51 HA LEU 51 -13.232 0.177 2.872
220 HB2 LEU 51 HB2 LEU 51 -10.672 1.645 3.502
221 HB3 LEU 51 HB1 LEU 51 -12.109 1.700 4.504
222 HG LEU 51 HG LEU 51 -10.547 -0.809 3.885
223 HD11 LEU 51 HD11 LEU 51 -9.761 -0.662 6.190
224 HD12 LEU 51 HD12 LEU 51 -10.596 0.879 6.383
225 HD13 LEU 51 HD13 LEU 51 -9.249 0.742 5.253
226 HD21 LEU 51 HD21 LEU 51 -12.904 -1.230 4.340
227 HD22 LEU 51 HD22 LEU 51 -12.798 -0.283 5.823
228 HD23 LEU 51 HD23 LEU 51 -11.898 -1.792 5.675
229 H HIS 52 HN HIS 52 -11.460 2.268 0.745
230 HA HIS 52 HA HIS 52 -12.983 4.630 1.280
231 HB2 HIS 52 HB2 HIS 52 -10.618 4.464 0.272
232 HB3 HIS 52 HB1 HIS 52 -11.436 4.118 -1.249
233 HD1 HIS 52 HD1 HIS 52 -12.544 6.070 -2.461
234 HD2 HIS 52 HD2 HIS 52 -10.980 7.101 1.247
235 HE1 HIS 52 HE1 HIS 52 -12.626 8.582 -2.370
236 HE2 HIS 52 HE2 HIS 52 -11.561 9.184 -0.169
237 H PHE 53 HN PHE 53 -13.214 1.972 -1.006
238 HA PHE 53 HA PHE 53 -15.454 3.274 -2.361
239 HB2 PHE 53 HB2 PHE 53 -13.844 0.802 -2.976
240 HB3 PHE 53 HB1 PHE 53 -15.323 1.197 -3.842
241 HD1 PHE 53 HD1 PHE 53 -15.373 3.722 -4.722
242 HD2 PHE 53 HD2 PHE 53 -11.867 1.448 -3.925
243 HE1 PHE 53 HE1 PHE 53 -14.094 5.169 -6.247
244 HE2 PHE 53 HE2 PHE 53 -10.580 2.891 -5.448
245 HZ PHE 53 HZ PHE 53 -11.693 4.752 -6.612
246 H GLY 54 HN GLY 54 -14.787 0.850 -0.016
247 HA2 GLY 54 HA2 GLY 54 -16.180 -0.421 1.292
248 HA3 GLY 54 HA1 GLY 54 -17.506 0.568 0.701
249 H VAL 55 HN VAL 55 -15.471 -1.218 -1.494
250 HA VAL 55 HA VAL 55 -17.549 -2.454 -2.836
251 HB VAL 55 HB VAL 55 -15.704 -4.109 -3.567
252 HG11 VAL 55 HG11 VAL 55 -14.695 -2.403 -5.028
253 HG12 VAL 55 HG12 VAL 55 -15.427 -1.144 -4.032
254 HG13 VAL 55 HG13 VAL 55 -16.451 -2.258 -4.939
255 HG21 VAL 55 HG21 VAL 55 -13.999 -2.063 -2.153
256 HG22 VAL 55 HG22 VAL 55 -13.432 -3.424 -3.122
257 HG23 VAL 55 HG23 VAL 55 -14.264 -3.714 -1.595
258 H ILE 56 HN ILE 56 -15.617 -3.633 -0.137
259 HA ILE 56 HA ILE 56 -17.605 -5.753 0.263
260 HB ILE 56 HB ILE 56 -15.483 -7.053 1.199
261 HG12 ILE 56 HG12 ILE 56 -13.610 -6.800 -0.453
262 HG13 ILE 56 HG11 ILE 56 -14.399 -5.344 -1.046
263 HG21 ILE 56 HG21 ILE 56 -15.441 -8.312 -0.904
264 HG22 ILE 56 HG22 ILE 56 -16.318 -7.004 -1.699
265 HG23 ILE 56 HG23 ILE 56 -17.088 -7.925 -0.405
266 HD11 ILE 56 HD11 ILE 56 -13.395 -5.774 1.756
267 HD12 ILE 56 HD12 ILE 56 -14.147 -4.304 1.136
268 HD13 ILE 56 HD13 ILE 56 -12.589 -4.835 0.501
269 H GLY 57 HN GLY 57 -16.222 -3.106 1.473
270 HA2 GLY 57 HA2 GLY 57 -16.805 -3.925 4.233
271 HA3 GLY 57 HA1 GLY 57 -15.271 -3.141 3.886
272 HA PRO 58 HA PRO 58 -18.697 0.201 3.051
273 HB2 PRO 58 HB2 PRO 58 -21.092 -0.958 4.303
274 HB3 PRO 58 HB1 PRO 58 -20.910 -0.201 2.718
275 HG2 PRO 58 HG2 PRO 58 -21.297 -2.845 2.985
276 HG3 PRO 58 HG1 PRO 58 -20.274 -2.172 1.701
277 HD2 PRO 58 HD2 PRO 58 -19.471 -3.425 4.303
278 HD3 PRO 58 HD1 PRO 58 -18.761 -3.634 2.687
279 H GLN 59 HN GLN 59 -17.659 1.400 4.574
280 HA GLN 59 HA GLN 59 -17.948 0.929 7.386
281 HB2 GLN 59 HB2 GLN 59 -16.748 3.234 5.845
282 HB3 GLN 59 HB1 GLN 59 -16.696 3.090 7.597
283 HG2 GLN 59 HG2 GLN 59 -15.392 1.067 7.433
284 HG3 GLN 59 HG1 GLN 59 -15.521 1.094 5.675
285 HE21 GLN 59 HE21 GLN 59 -15.205 3.994 5.544
286 HE22 GLN 59 HE22 GLN 59 -13.530 4.305 5.830
287 H ARG 60 HN ARG 60 -19.959 2.299 5.126
288 HA ARG 60 HA ARG 60 -20.994 4.488 6.647
289 HB2 ARG 60 HB2 ARG 60 -21.170 4.362 4.180
290 HB3 ARG 60 HB1 ARG 60 -22.259 2.992 4.344
291 HG2 ARG 60 HG2 ARG 60 -23.857 4.414 5.538
292 HG3 ARG 60 HG1 ARG 60 -22.768 5.787 5.343
293 HD2 ARG 60 HD2 ARG 60 -22.939 5.533 2.894
294 HD3 ARG 60 HD1 ARG 60 -24.090 4.217 3.132
295 HE ARG 60 HE ARG 60 -24.878 6.635 4.447
296 HH11 ARG 60 HH11 ARG 60 -24.874 4.939 1.404
297 HH12 ARG 60 HH12 ARG 60 -26.265 5.771 0.792
298 HH21 ARG 60 HH21 ARG 60 -26.705 7.738 3.647
299 HH22 ARG 60 HH22 ARG 60 -27.302 7.362 2.065
Start of MODEL 6
1 H1 ARG 28 HT1 ARG 28 23.264 5.675 4.170
2 H2 ARG 28 HT2 ARG 28 23.001 6.442 2.686
3 H3 ARG 28 HT3 ARG 28 24.534 6.486 3.399
4 HA ARG 28 HA ARG 28 24.444 4.914 1.564
5 HB2 ARG 28 HB2 ARG 28 24.733 3.606 4.276
6 HB3 ARG 28 HB1 ARG 28 25.410 3.009 2.767
7 HG2 ARG 28 HG2 ARG 28 26.122 5.652 4.017
8 HG3 ARG 28 HG1 ARG 28 27.047 4.163 4.224
9 HD2 ARG 28 HD2 ARG 28 27.414 4.060 1.806
10 HD3 ARG 28 HD1 ARG 28 26.487 5.545 1.600
11 HE ARG 28 HE ARG 28 28.348 6.408 3.250
12 HH11 ARG 28 HH11 ARG 28 28.680 4.310 0.487
13 HH12 ARG 28 HH12 ARG 28 30.303 4.809 0.142
14 HH21 ARG 28 HH21 ARG 28 30.483 7.069 2.804
15 HH22 ARG 28 HH22 ARG 28 31.327 6.376 1.460
16 H ARG 29 HN ARG 29 21.747 5.309 1.727
17 HA ARG 29 HA ARG 29 20.216 3.137 2.616
18 HB2 ARG 29 HB2 ARG 29 19.628 4.944 0.265
19 HB3 ARG 29 HB1 ARG 29 18.460 3.980 1.156
20 HG2 ARG 29 HG2 ARG 29 18.953 5.318 3.175
21 HG3 ARG 29 HG1 ARG 29 20.028 6.328 2.203
22 HD2 ARG 29 HD2 ARG 29 18.107 6.857 0.726
23 HD3 ARG 29 HD1 ARG 29 17.062 5.947 1.815
24 HE ARG 29 HE ARG 29 18.520 7.971 3.191
25 HH11 ARG 29 HH11 ARG 29 15.753 7.413 1.148
26 HH12 ARG 29 HH12 ARG 29 14.891 8.804 1.718
27 HH21 ARG 29 HH21 ARG 29 17.393 9.806 3.944
28 HH22 ARG 29 HH22 ARG 29 15.824 10.164 3.305
29 H CYS 30 HN CYS 30 19.975 1.129 1.884
30 HA CYS 30 HA CYS 30 21.394 0.303 -0.502
31 HB2 CYS 30 HB2 CYS 30 19.760 -1.318 1.463
32 HB3 CYS 30 HB1 CYS 30 20.787 -1.976 0.196
33 HG CYS 30 HG CYS 30 21.581 -1.058 3.256
34 H LEU 31 HN LEU 31 20.453 -0.824 -2.251
35 HA LEU 31 HA LEU 31 18.007 0.269 -3.169
36 HB2 LEU 31 HB2 LEU 31 19.512 -2.119 -4.241
37 HB3 LEU 31 HB1 LEU 31 18.289 -1.198 -5.095
38 HG LEU 31 HG LEU 31 20.986 -0.146 -4.233
39 HD11 LEU 31 HD11 LEU 31 19.943 -0.850 -6.973
40 HD12 LEU 31 HD12 LEU 31 21.127 -1.778 -6.052
41 HD13 LEU 31 HD13 LEU 31 21.520 -0.150 -6.604
42 HD21 LEU 31 HD21 LEU 31 19.309 1.607 -4.234
43 HD22 LEU 31 HD22 LEU 31 18.786 1.135 -5.851
44 HD23 LEU 31 HD23 LEU 31 20.399 1.806 -5.606
45 H PHE 32 HN PHE 32 18.760 -2.449 -1.243
46 HA PHE 32 HA PHE 32 16.306 -3.873 -1.844
47 HB2 PHE 32 HB2 PHE 32 18.473 -4.388 0.202
48 HB3 PHE 32 HB1 PHE 32 17.088 -5.440 -0.072
49 HD1 PHE 32 HD1 PHE 32 16.883 -6.689 -2.185
50 HD2 PHE 32 HD2 PHE 32 20.341 -4.385 -1.267
51 HE1 PHE 32 HE1 PHE 32 18.134 -7.871 -3.944
52 HE2 PHE 32 HE2 PHE 32 21.597 -5.562 -3.023
53 HZ PHE 32 HZ PHE 32 20.491 -7.319 -4.358
54 H LEU 33 HN LEU 33 17.696 -1.993 0.811
55 HA LEU 33 HA LEU 33 15.533 -2.337 2.603
56 HB2 LEU 33 HB2 LEU 33 17.541 -0.097 2.465
57 HB3 LEU 33 HB1 LEU 33 16.503 -0.458 3.830
58 HG LEU 33 HG LEU 33 18.813 -2.093 2.794
59 HD11 LEU 33 HD11 LEU 33 19.671 -1.757 5.053
60 HD12 LEU 33 HD12 LEU 33 18.239 -0.809 5.455
61 HD13 LEU 33 HD13 LEU 33 19.375 -0.218 4.242
62 HD21 LEU 33 HD21 LEU 33 16.766 -2.841 4.882
63 HD22 LEU 33 HD22 LEU 33 18.278 -3.700 4.589
64 HD23 LEU 33 HD23 LEU 33 17.038 -3.647 3.336
65 H SER 34 HN SER 34 16.055 -0.242 -0.104
66 HA SER 34 HA SER 34 14.021 1.659 0.633
67 HB2 SER 34 HB2 SER 34 14.402 2.592 -1.625
68 HB3 SER 34 HB1 SER 34 15.914 2.375 -0.743
69 HG SER 34 HG SER 34 15.876 1.622 -2.989
70 H LEU 35 HN LEU 35 14.233 -1.262 -1.264
71 HA LEU 35 HA LEU 35 11.686 -0.926 -2.552
72 HB2 LEU 35 HB2 LEU 35 13.901 -2.525 -2.964
73 HB3 LEU 35 HB1 LEU 35 12.709 -3.658 -2.359
74 HG LEU 35 HG LEU 35 12.689 -3.621 -4.784
75 HD11 LEU 35 HD11 LEU 35 10.322 -3.175 -5.161
76 HD12 LEU 35 HD12 LEU 35 10.237 -2.302 -3.631
77 HD13 LEU 35 HD13 LEU 35 10.579 -4.032 -3.641
78 HD21 LEU 35 HD21 LEU 35 12.006 -0.695 -4.531
79 HD22 LEU 35 HD22 LEU 35 12.055 -1.626 -6.028
80 HD23 LEU 35 HD23 LEU 35 13.536 -1.353 -5.111
81 H PHE 36 HN PHE 36 12.637 -1.764 0.550
82 HA PHE 36 HA PHE 36 10.569 -3.683 1.107
83 HB2 PHE 36 HB2 PHE 36 12.760 -3.595 2.321
84 HB3 PHE 36 HB1 PHE 36 12.226 -2.096 3.074
85 HD1 PHE 36 HD1 PHE 36 11.532 -5.709 2.794
86 HD2 PHE 36 HD2 PHE 36 10.770 -2.106 4.926
87 HE1 PHE 36 HE1 PHE 36 10.426 -7.001 4.574
88 HE2 PHE 36 HE2 PHE 36 9.664 -3.390 6.708
89 HZ PHE 36 HZ PHE 36 9.499 -5.850 6.532
90 H SER 37 HN SER 37 10.818 -0.251 1.055
91 HA SER 37 HA SER 37 8.685 0.290 2.885
92 HB2 SER 37 HB2 SER 37 9.977 2.019 0.764
93 HB3 SER 37 HB1 SER 37 8.795 2.597 1.938
94 HG SER 37 HG SER 37 10.885 1.231 3.066
95 H PHE 38 HN PHE 38 8.967 0.027 -0.625
96 HA PHE 38 HA PHE 38 6.420 0.894 -1.344
97 HB2 PHE 38 HB2 PHE 38 8.178 -1.189 -2.652
98 HB3 PHE 38 HB1 PHE 38 6.749 -0.482 -3.398
99 HD1 PHE 38 HD1 PHE 38 6.822 1.647 -4.418
100 HD2 PHE 38 HD2 PHE 38 10.147 0.252 -2.160
101 HE1 PHE 38 HE1 PHE 38 8.185 3.499 -5.289
102 HE2 PHE 38 HE2 PHE 38 11.518 2.102 -3.028
103 HZ PHE 38 HZ PHE 38 10.538 3.730 -4.594
104 H LEU 39 HN LEU 39 7.459 -2.103 0.063
105 HA LEU 39 HA LEU 39 5.110 -3.586 -0.626
106 HB2 LEU 39 HB2 LEU 39 7.407 -4.525 -0.079
107 HB3 LEU 39 HB1 LEU 39 7.034 -4.210 1.604
108 HG LEU 39 HG LEU 39 5.144 -5.852 -0.019
109 HD11 LEU 39 HD11 LEU 39 7.708 -6.861 1.206
110 HD12 LEU 39 HD12 LEU 39 7.308 -6.831 -0.512
111 HD13 LEU 39 HD13 LEU 39 6.404 -7.874 0.586
112 HD21 LEU 39 HD21 LEU 39 6.003 -5.905 2.872
113 HD22 LEU 39 HD22 LEU 39 4.769 -6.933 2.145
114 HD23 LEU 39 HD23 LEU 39 4.519 -5.190 2.244
115 H ILE 40 HN ILE 40 6.267 -1.999 2.344
116 HA ILE 40 HA ILE 40 4.125 -2.674 3.999
117 HB ILE 40 HB ILE 40 5.705 -0.100 4.083
118 HG12 ILE 40 HG12 ILE 40 6.263 -2.713 5.505
119 HG13 ILE 40 HG11 ILE 40 7.108 -2.178 4.055
120 HG21 ILE 40 HG21 ILE 40 5.146 -0.113 6.470
121 HG22 ILE 40 HG22 ILE 40 4.175 -1.565 6.232
122 HG23 ILE 40 HG23 ILE 40 3.699 -0.051 5.464
123 HD11 ILE 40 HD11 ILE 40 7.098 -0.763 6.712
124 HD12 ILE 40 HD12 ILE 40 7.955 -0.239 5.262
125 HD13 ILE 40 HD13 ILE 40 8.409 -1.744 6.060
126 H VAL 41 HN VAL 41 4.435 -0.187 1.563
127 HA VAL 41 HA VAL 41 1.990 1.156 2.313
128 HB VAL 41 HB VAL 41 3.645 1.469 -0.198
129 HG11 VAL 41 HG11 VAL 41 1.382 2.321 -0.457
130 HG12 VAL 41 HG12 VAL 41 2.535 3.652 -0.376
131 HG13 VAL 41 HG13 VAL 41 1.545 3.256 1.029
132 HG21 VAL 41 HG21 VAL 41 4.647 3.396 0.899
133 HG22 VAL 41 HG22 VAL 41 4.948 1.922 1.820
134 HG23 VAL 41 HG23 VAL 41 3.716 3.063 2.360
135 H LEU 42 HN LEU 42 3.004 -1.325 0.098
136 HA LEU 42 HA LEU 42 0.826 -1.266 -1.677
137 HB2 LEU 42 HB2 LEU 42 3.110 -2.560 -1.737
138 HB3 LEU 42 HB1 LEU 42 2.189 -3.824 -0.935
139 HG LEU 42 HG LEU 42 2.359 -4.161 -3.371
140 HD11 LEU 42 HD11 LEU 42 -0.454 -3.570 -2.472
141 HD12 LEU 42 HD12 LEU 42 0.443 -5.045 -2.112
142 HD13 LEU 42 HD13 LEU 42 0.031 -4.648 -3.780
143 HD21 LEU 42 HD21 LEU 42 2.416 -1.821 -4.062
144 HD22 LEU 42 HD22 LEU 42 0.735 -1.627 -3.565
145 HD23 LEU 42 HD23 LEU 42 1.141 -2.705 -4.900
146 H LEU 43 HN LEU 43 1.388 -3.188 1.265
147 HA LEU 43 HA LEU 43 -1.036 -4.605 1.196
148 HB2 LEU 43 HB2 LEU 43 0.924 -3.941 3.358
149 HB3 LEU 43 HB1 LEU 43 -0.596 -4.707 3.771
150 HG LEU 43 HG LEU 43 1.173 -6.361 3.569
151 HD11 LEU 43 HD11 LEU 43 -1.112 -6.992 2.949
152 HD12 LEU 43 HD12 LEU 43 0.093 -7.888 2.024
153 HD13 LEU 43 HD13 LEU 43 -0.774 -6.547 1.275
154 HD21 LEU 43 HD21 LEU 43 2.614 -5.176 1.996
155 HD22 LEU 43 HD22 LEU 43 1.428 -5.422 0.714
156 HD23 LEU 43 HD23 LEU 43 2.256 -6.806 1.428
157 H LEU 44 HN LEU 44 -0.187 -1.525 2.743
158 HA LEU 44 HA LEU 44 -2.628 -1.155 4.096
159 HB2 LEU 44 HB2 LEU 44 -0.537 0.778 3.132
160 HB3 LEU 44 HB1 LEU 44 -1.970 1.311 3.987
161 HG LEU 44 HG LEU 44 0.147 -0.548 5.075
162 HD11 LEU 44 HD11 LEU 44 0.947 1.720 4.920
163 HD12 LEU 44 HD12 LEU 44 0.601 1.338 6.607
164 HD13 LEU 44 HD13 LEU 44 -0.526 2.326 5.676
165 HD21 LEU 44 HD21 LEU 44 -1.060 -0.304 7.206
166 HD22 LEU 44 HD22 LEU 44 -2.032 -1.115 5.977
167 HD23 LEU 44 HD23 LEU 44 -2.336 0.579 6.367
168 H THR 45 HN THR 45 -1.563 -0.100 0.873
169 HA THR 45 HA THR 45 -3.800 1.468 0.255
170 HB THR 45 HB THR 45 -3.213 0.954 -2.163
171 HG1 THR 45 HG1 THR 45 -0.811 -0.147 -1.238
172 HG21 THR 45 HG21 THR 45 -1.094 2.220 -2.059
173 HG22 THR 45 HG22 THR 45 -1.056 1.973 -0.313
174 HG23 THR 45 HG23 THR 45 -2.353 2.921 -1.043
175 H THR 46 HN THR 46 -3.444 -1.960 0.401
176 HA THR 46 HA THR 46 -5.513 -2.706 -1.369
177 HB THR 46 HB THR 46 -4.557 -4.185 1.092
178 HG1 THR 46 HG1 THR 46 -3.179 -5.243 -0.397
179 HG21 THR 46 HG21 THR 46 -5.413 -6.177 -0.050
180 HG22 THR 46 HG22 THR 46 -6.009 -5.170 -1.367
181 HG23 THR 46 HG23 THR 46 -6.703 -5.012 0.246
182 H LEU 47 HN LEU 47 -5.540 -2.545 2.199
183 HA LEU 47 HA LEU 47 -8.388 -2.758 2.311
184 HB2 LEU 47 HB2 LEU 47 -6.150 -2.520 4.242
185 HB3 LEU 47 HB1 LEU 47 -7.740 -2.045 4.792
186 HG LEU 47 HG LEU 47 -8.599 -4.285 4.197
187 HD11 LEU 47 HD11 LEU 47 -7.012 -4.810 2.423
188 HD12 LEU 47 HD12 LEU 47 -7.032 -6.072 3.656
189 HD13 LEU 47 HD13 LEU 47 -5.710 -4.905 3.609
190 HD21 LEU 47 HD21 LEU 47 -7.855 -3.828 6.473
191 HD22 LEU 47 HD22 LEU 47 -6.211 -4.295 6.039
192 HD23 LEU 47 HD23 LEU 47 -7.504 -5.495 6.019
193 H PHE 48 HN PHE 48 -6.139 -0.168 2.046
194 HA PHE 48 HA PHE 48 -7.826 1.835 3.224
195 HB2 PHE 48 HB2 PHE 48 -5.415 2.141 3.251
196 HB3 PHE 48 HB1 PHE 48 -5.356 2.093 1.495
197 HD1 PHE 48 HD1 PHE 48 -5.762 4.023 0.210
198 HD2 PHE 48 HD2 PHE 48 -6.553 4.050 4.391
199 HE1 PHE 48 HE1 PHE 48 -6.055 6.464 0.135
200 HE2 PHE 48 HE2 PHE 48 -6.849 6.492 4.323
201 HZ PHE 48 HZ PHE 48 -6.619 7.700 2.200
202 H CYS 49 HN CYS 49 -7.204 0.637 -0.024
203 HA CYS 49 HA CYS 49 -8.692 2.716 -1.320
204 HB2 CYS 49 HB2 CYS 49 -7.614 0.063 -2.262
205 HB3 CYS 49 HB1 CYS 49 -8.560 1.117 -3.306
206 HG CYS 49 HG CYS 49 -6.177 1.823 -4.190
207 H LEU 50 HN LEU 50 -9.360 -0.562 -0.228
208 HA LEU 50 HA LEU 50 -11.855 -0.923 -1.442
209 HB2 LEU 50 HB2 LEU 50 -10.755 -2.009 1.151
210 HB3 LEU 50 HB1 LEU 50 -12.262 -2.556 0.421
211 HG LEU 50 HG LEU 50 -9.616 -2.713 -1.014
212 HD11 LEU 50 HD11 LEU 50 -9.495 -5.042 -0.345
213 HD12 LEU 50 HD12 LEU 50 -10.955 -4.860 0.626
214 HD13 LEU 50 HD13 LEU 50 -9.484 -3.996 1.073
215 HD21 LEU 50 HD21 LEU 50 -11.616 -2.814 -2.411
216 HD22 LEU 50 HD22 LEU 50 -12.247 -4.129 -1.420
217 HD23 LEU 50 HD23 LEU 50 -10.783 -4.369 -2.374
218 H LEU 51 HN LEU 51 -10.940 0.738 1.515
219 HA LEU 51 HA LEU 51 -13.660 1.120 2.386
220 HB2 LEU 51 HB2 LEU 51 -11.080 2.370 3.329
221 HB3 LEU 51 HB1 LEU 51 -12.637 2.585 4.106
222 HG LEU 51 HG LEU 51 -11.236 -0.073 3.806
223 HD11 LEU 51 HD11 LEU 51 -9.962 1.378 5.266
224 HD12 LEU 51 HD12 LEU 51 -10.779 0.134 6.211
225 HD13 LEU 51 HD13 LEU 51 -11.418 1.777 6.178
226 HD21 LEU 51 HD21 LEU 51 -13.670 0.764 5.379
227 HD22 LEU 51 HD22 LEU 51 -12.891 -0.816 5.469
228 HD23 LEU 51 HD23 LEU 51 -13.646 -0.290 3.965
229 H HIS 52 HN HIS 52 -11.361 2.827 0.429
230 HA HIS 52 HA HIS 52 -12.659 5.377 0.604
231 HB2 HIS 52 HB2 HIS 52 -10.232 5.084 0.084
232 HB3 HIS 52 HB1 HIS 52 -10.691 4.418 -1.479
233 HD1 HIS 52 HD1 HIS 52 -10.539 7.630 0.432
234 HD2 HIS 52 HD2 HIS 52 -11.542 6.294 -3.373
235 HE1 HIS 52 HE1 HIS 52 -10.735 9.703 -0.979
236 HE2 HIS 52 HE2 HIS 52 -11.387 8.873 -3.267
237 H PHE 53 HN PHE 53 -12.897 2.580 -1.480
238 HA PHE 53 HA PHE 53 -14.735 4.029 -3.248
239 HB2 PHE 53 HB2 PHE 53 -13.258 1.421 -3.564
240 HB3 PHE 53 HB1 PHE 53 -14.553 1.905 -4.652
241 HD1 PHE 53 HD1 PHE 53 -14.299 4.035 -5.961
242 HD2 PHE 53 HD2 PHE 53 -11.078 2.247 -3.831
243 HE1 PHE 53 HE1 PHE 53 -12.697 5.329 -7.307
244 HE2 PHE 53 HE2 PHE 53 -9.469 3.539 -5.172
245 HZ PHE 53 HZ PHE 53 -10.278 5.082 -6.913
246 H GLY 54 HN GLY 54 -14.688 1.797 -0.680
247 HA2 GLY 54 HA2 GLY 54 -16.383 0.704 0.422
248 HA3 GLY 54 HA1 GLY 54 -17.508 1.672 -0.520
249 H VAL 55 HN VAL 55 -15.161 -0.392 -2.059
250 HA VAL 55 HA VAL 55 -17.343 -2.023 -3.098
251 HB VAL 55 HB VAL 55 -15.554 -2.798 -4.711
252 HG11 VAL 55 HG11 VAL 55 -15.811 -0.791 -6.132
253 HG12 VAL 55 HG12 VAL 55 -16.443 0.080 -4.734
254 HG13 VAL 55 HG13 VAL 55 -17.325 -1.302 -5.386
255 HG21 VAL 55 HG21 VAL 55 -14.136 -0.402 -3.568
256 HG22 VAL 55 HG22 VAL 55 -13.680 -1.216 -5.064
257 HG23 VAL 55 HG23 VAL 55 -13.586 -2.076 -3.528
258 H ILE 56 HN ILE 56 -17.392 -3.128 -1.063
259 HA ILE 56 HA ILE 56 -15.322 -4.673 -0.012
260 HB ILE 56 HB ILE 56 -17.330 -6.143 0.839
261 HG12 ILE 56 HG12 ILE 56 -19.430 -4.912 0.976
262 HG13 ILE 56 HG11 ILE 56 -18.744 -3.580 0.058
263 HG21 ILE 56 HG21 ILE 56 -15.958 -4.737 2.245
264 HG22 ILE 56 HG22 ILE 56 -17.658 -4.535 2.672
265 HG23 ILE 56 HG23 ILE 56 -16.837 -3.303 1.713
266 HD11 ILE 56 HD11 ILE 56 -18.565 -5.000 -1.902
267 HD12 ILE 56 HD12 ILE 56 -20.220 -4.979 -1.294
268 HD13 ILE 56 HD13 ILE 56 -19.183 -6.371 -0.981
269 H GLY 57 HN GLY 57 -16.704 -5.026 -2.960
270 HA2 GLY 57 HA2 GLY 57 -15.603 -7.696 -3.251
271 HA3 GLY 57 HA1 GLY 57 -17.334 -7.568 -3.523
272 HA PRO 58 HA PRO 58 -16.888 -6.282 -7.705
273 HB2 PRO 58 HB2 PRO 58 -18.087 -3.622 -7.163
274 HB3 PRO 58 HB1 PRO 58 -18.605 -4.883 -8.288
275 HG2 PRO 58 HG2 PRO 58 -19.951 -4.432 -6.031
276 HG3 PRO 58 HG1 PRO 58 -19.716 -6.080 -6.641
277 HD2 PRO 58 HD2 PRO 58 -18.301 -4.661 -4.419
278 HD3 PRO 58 HD1 PRO 58 -18.842 -6.350 -4.515
279 H GLN 59 HN GLN 59 -14.613 -6.099 -7.705
280 HA GLN 59 HA GLN 59 -13.497 -3.422 -7.294
281 HB2 GLN 59 HB2 GLN 59 -11.299 -4.557 -7.431
282 HB3 GLN 59 HB1 GLN 59 -12.319 -5.203 -6.153
283 HG2 GLN 59 HG2 GLN 59 -12.902 -7.102 -7.559
284 HG3 GLN 59 HG1 GLN 59 -11.916 -6.447 -8.865
285 HE21 GLN 59 HE21 GLN 59 -11.704 -8.992 -7.456
286 HE22 GLN 59 HE22 GLN 59 -10.110 -9.042 -6.792
287 H ARG 60 HN ARG 60 -15.147 -4.235 -9.624
288 HA ARG 60 HA ARG 60 -13.432 -4.481 -11.886
289 HB2 ARG 60 HB2 ARG 60 -16.331 -3.650 -11.673
290 HB3 ARG 60 HB1 ARG 60 -15.495 -3.966 -13.188
291 HG2 ARG 60 HG2 ARG 60 -15.131 -6.273 -12.536
292 HG3 ARG 60 HG1 ARG 60 -15.901 -5.969 -10.977
293 HD2 ARG 60 HD2 ARG 60 -17.230 -5.701 -13.672
294 HD3 ARG 60 HD1 ARG 60 -17.421 -7.065 -12.571
295 HE ARG 60 HE ARG 60 -18.132 -4.407 -11.592
296 HH11 ARG 60 HH11 ARG 60 -19.134 -7.543 -12.730
297 HH12 ARG 60 HH12 ARG 60 -20.756 -7.380 -12.147
298 HH21 ARG 60 HH21 ARG 60 -20.269 -4.181 -10.823
299 HH22 ARG 60 HH22 ARG 60 -21.402 -5.468 -11.065
Start of MODEL 7
1 H1 ARG 28 HT1 ARG 28 24.255 0.001 5.119
2 H2 ARG 28 HT2 ARG 28 22.977 0.751 5.932
3 H3 ARG 28 HT3 ARG 28 24.449 1.562 5.741
4 HA ARG 28 HA ARG 28 22.811 2.422 4.215
5 HB2 ARG 28 HB2 ARG 28 24.993 0.792 2.901
6 HB3 ARG 28 HB1 ARG 28 24.098 2.087 2.117
7 HG2 ARG 28 HG2 ARG 28 24.976 3.690 3.719
8 HG3 ARG 28 HG1 ARG 28 25.841 2.397 4.552
9 HD2 ARG 28 HD2 ARG 28 27.164 1.976 2.551
10 HD3 ARG 28 HD1 ARG 28 26.275 3.229 1.684
11 HE ARG 28 HE ARG 28 27.409 4.327 4.012
12 HH11 ARG 28 HH11 ARG 28 28.340 3.104 0.884
13 HH12 ARG 28 HH12 ARG 28 29.755 4.096 0.775
14 HH21 ARG 28 HH21 ARG 28 29.265 5.637 3.876
15 HH22 ARG 28 HH22 ARG 28 30.280 5.538 2.477
16 H ARG 29 HN ARG 29 20.952 2.035 3.227
17 HA ARG 29 HA ARG 29 20.102 -0.693 2.785
18 HB2 ARG 29 HB2 ARG 29 18.722 1.975 2.542
19 HB3 ARG 29 HB1 ARG 29 17.953 0.477 2.041
20 HG2 ARG 29 HG2 ARG 29 17.189 0.972 4.228
21 HG3 ARG 29 HG1 ARG 29 18.306 -0.387 4.359
22 HD2 ARG 29 HD2 ARG 29 20.066 1.076 5.123
23 HD3 ARG 29 HD1 ARG 29 19.052 2.493 4.857
24 HE ARG 29 HE ARG 29 17.636 0.946 6.607
25 HH11 ARG 29 HH11 ARG 29 20.835 2.329 6.574
26 HH12 ARG 29 HH12 ARG 29 20.908 2.521 8.294
27 HH21 ARG 29 HH21 ARG 29 17.723 1.202 8.870
28 HH22 ARG 29 HH22 ARG 29 19.141 1.882 9.598
29 H CYS 30 HN CYS 30 19.761 -1.685 0.863
30 HA CYS 30 HA CYS 30 20.794 -0.315 -1.514
31 HB2 CYS 30 HB2 CYS 30 20.982 -2.569 -2.488
32 HB3 CYS 30 HB1 CYS 30 21.850 -2.449 -0.962
33 HG CYS 30 HG CYS 30 18.939 -4.107 -1.593
34 H LEU 31 HN LEU 31 19.655 -1.611 -3.566
35 HA LEU 31 HA LEU 31 17.175 -0.370 -3.873
36 HB2 LEU 31 HB2 LEU 31 18.581 -1.069 -5.752
37 HB3 LEU 31 HB1 LEU 31 18.293 -2.752 -5.354
38 HG LEU 31 HG LEU 31 15.874 -2.409 -5.842
39 HD11 LEU 31 HD11 LEU 31 15.192 -0.407 -7.059
40 HD12 LEU 31 HD12 LEU 31 16.801 0.282 -6.836
41 HD13 LEU 31 HD13 LEU 31 15.764 -0.008 -5.439
42 HD21 LEU 31 HD21 LEU 31 16.131 -2.356 -8.267
43 HD22 LEU 31 HD22 LEU 31 17.386 -3.344 -7.518
44 HD23 LEU 31 HD23 LEU 31 17.765 -1.719 -8.088
45 H PHE 32 HN PHE 32 17.978 -3.685 -2.949
46 HA PHE 32 HA PHE 32 15.367 -4.723 -2.974
47 HB2 PHE 32 HB2 PHE 32 17.750 -5.545 -1.301
48 HB3 PHE 32 HB1 PHE 32 16.279 -6.492 -1.492
49 HD1 PHE 32 HD1 PHE 32 15.895 -7.799 -3.433
50 HD2 PHE 32 HD2 PHE 32 19.259 -5.200 -3.228
51 HE1 PHE 32 HE1 PHE 32 16.840 -8.869 -5.438
52 HE2 PHE 32 HE2 PHE 32 20.208 -6.264 -5.233
53 HZ PHE 32 HZ PHE 32 18.998 -8.100 -6.341
54 H LEU 33 HN LEU 33 17.305 -3.502 -0.239
55 HA LEU 33 HA LEU 33 15.332 -3.762 1.717
56 HB2 LEU 33 HB2 LEU 33 17.635 -1.838 1.513
57 HB3 LEU 33 HB1 LEU 33 16.633 -2.009 2.944
58 HG LEU 33 HG LEU 33 18.356 -4.169 1.726
59 HD11 LEU 33 HD11 LEU 33 19.642 -3.930 3.809
60 HD12 LEU 33 HD12 LEU 33 18.637 -2.546 4.242
61 HD13 LEU 33 HD13 LEU 33 19.672 -2.472 2.816
62 HD21 LEU 33 HD21 LEU 33 16.339 -5.098 2.737
63 HD22 LEU 33 HD22 LEU 33 16.657 -4.198 4.220
64 HD23 LEU 33 HD23 LEU 33 17.762 -5.474 3.710
65 H SER 34 HN SER 34 15.875 -1.267 -0.670
66 HA SER 34 HA SER 34 14.158 0.682 0.487
67 HB2 SER 34 HB2 SER 34 15.076 0.334 -2.378
68 HB3 SER 34 HB1 SER 34 14.256 1.761 -1.745
69 HG SER 34 HG SER 34 16.650 1.786 -1.828
70 H LEU 35 HN LEU 35 13.691 -2.027 -1.674
71 HA LEU 35 HA LEU 35 11.055 -1.333 -2.497
72 HB2 LEU 35 HB2 LEU 35 12.946 -3.390 -3.040
73 HB3 LEU 35 HB1 LEU 35 11.438 -4.155 -2.578
74 HG LEU 35 HG LEU 35 11.700 -2.094 -4.769
75 HD11 LEU 35 HD11 LEU 35 11.426 -3.962 -6.312
76 HD12 LEU 35 HD12 LEU 35 11.444 -5.093 -4.959
77 HD13 LEU 35 HD13 LEU 35 12.886 -4.152 -5.341
78 HD21 LEU 35 HD21 LEU 35 9.442 -2.834 -5.372
79 HD22 LEU 35 HD22 LEU 35 9.492 -2.146 -3.748
80 HD23 LEU 35 HD23 LEU 35 9.418 -3.895 -3.964
81 H PHE 36 HN PHE 36 12.392 -2.731 0.330
82 HA PHE 36 HA PHE 36 10.156 -4.225 1.218
83 HB2 PHE 36 HB2 PHE 36 12.482 -4.461 2.101
84 HB3 PHE 36 HB1 PHE 36 12.296 -2.904 2.901
85 HD1 PHE 36 HD1 PHE 36 11.007 -6.366 2.779
86 HD2 PHE 36 HD2 PHE 36 11.212 -2.729 4.980
87 HE1 PHE 36 HE1 PHE 36 10.023 -7.496 4.731
88 HE2 PHE 36 HE2 PHE 36 10.228 -3.851 6.935
89 HZ PHE 36 HZ PHE 36 9.654 -6.239 6.823
90 H SER 37 HN SER 37 10.802 -0.869 1.066
91 HA SER 37 HA SER 37 8.926 -0.150 3.156
92 HB2 SER 37 HB2 SER 37 10.414 1.575 1.161
93 HB3 SER 37 HB1 SER 37 9.445 2.178 2.505
94 HG SER 37 HG SER 37 10.892 0.976 3.893
95 H PHE 38 HN PHE 38 9.096 -0.066 -0.380
96 HA PHE 38 HA PHE 38 6.625 1.225 -0.802
97 HB2 PHE 38 HB2 PHE 38 8.128 -0.695 -2.585
98 HB3 PHE 38 HB1 PHE 38 6.766 0.294 -3.098
99 HD1 PHE 38 HD1 PHE 38 7.117 2.897 -2.383
100 HD2 PHE 38 HD2 PHE 38 10.189 0.072 -3.216
101 HE1 PHE 38 HE1 PHE 38 8.652 4.736 -2.943
102 HE2 PHE 38 HE2 PHE 38 11.731 1.907 -3.773
103 HZ PHE 38 HZ PHE 38 10.962 4.243 -3.637
104 H LEU 39 HN LEU 39 7.390 -1.934 0.225
105 HA LEU 39 HA LEU 39 4.982 -3.177 -0.734
106 HB2 LEU 39 HB2 LEU 39 7.218 -4.313 -0.203
107 HB3 LEU 39 HB1 LEU 39 6.737 -4.207 1.479
108 HG LEU 39 HG LEU 39 4.870 -5.467 -0.467
109 HD11 LEU 39 HD11 LEU 39 7.031 -6.483 -0.974
110 HD12 LEU 39 HD12 LEU 39 5.960 -7.628 -0.167
111 HD13 LEU 39 HD13 LEU 39 7.263 -6.852 0.735
112 HD21 LEU 39 HD21 LEU 39 5.543 -5.938 2.434
113 HD22 LEU 39 HD22 LEU 39 4.359 -6.862 1.511
114 HD23 LEU 39 HD23 LEU 39 4.103 -5.142 1.798
115 H ILE 40 HN ILE 40 6.084 -1.616 2.188
116 HA ILE 40 HA ILE 40 3.837 -2.361 3.790
117 HB ILE 40 HB ILE 40 5.764 -0.068 4.192
118 HG12 ILE 40 HG12 ILE 40 5.850 -2.845 5.388
119 HG13 ILE 40 HG11 ILE 40 6.834 -2.332 4.022
120 HG21 ILE 40 HG21 ILE 40 3.948 -1.472 6.148
121 HG22 ILE 40 HG22 ILE 40 3.691 0.139 5.479
122 HG23 ILE 40 HG23 ILE 40 5.076 -0.170 6.527
123 HD11 ILE 40 HD11 ILE 40 8.079 -2.275 6.114
124 HD12 ILE 40 HD12 ILE 40 6.911 -1.134 6.782
125 HD13 ILE 40 HD13 ILE 40 7.920 -0.664 5.414
126 H VAL 41 HN VAL 41 4.665 0.351 1.717
127 HA VAL 41 HA VAL 41 2.457 1.984 2.496
128 HB VAL 41 HB VAL 41 4.612 2.793 1.408
129 HG11 VAL 41 HG11 VAL 41 4.602 2.882 -1.049
130 HG12 VAL 41 HG12 VAL 41 3.182 1.837 -1.060
131 HG13 VAL 41 HG13 VAL 41 4.712 1.237 -0.427
132 HG21 VAL 41 HG21 VAL 41 3.460 4.617 0.207
133 HG22 VAL 41 HG22 VAL 41 2.736 4.274 1.778
134 HG23 VAL 41 HG23 VAL 41 1.954 3.701 0.303
135 H LEU 42 HN LEU 42 2.957 -0.550 0.176
136 HA LEU 42 HA LEU 42 0.551 0.015 -1.315
137 HB2 LEU 42 HB2 LEU 42 2.792 -1.206 -2.039
138 HB3 LEU 42 HB1 LEU 42 1.933 -2.626 -1.455
139 HG LEU 42 HG LEU 42 0.897 -0.764 -3.599
140 HD11 LEU 42 HD11 LEU 42 1.473 -2.524 -5.171
141 HD12 LEU 42 HD12 LEU 42 2.172 -3.481 -3.865
142 HD13 LEU 42 HD13 LEU 42 2.910 -1.947 -4.326
143 HD21 LEU 42 HD21 LEU 42 -0.887 -1.897 -2.421
144 HD22 LEU 42 HD22 LEU 42 -0.069 -3.447 -2.617
145 HD23 LEU 42 HD23 LEU 42 -0.696 -2.595 -4.029
146 H LEU 43 HN LEU 43 1.627 -2.334 1.102
147 HA LEU 43 HA LEU 43 -0.586 -3.990 1.199
148 HB2 LEU 43 HB2 LEU 43 1.480 -4.430 2.427
149 HB3 LEU 43 HB1 LEU 43 1.160 -3.068 3.483
150 HG LEU 43 HG LEU 43 -0.907 -4.249 4.268
151 HD11 LEU 43 HD11 LEU 43 -1.063 -6.661 3.850
152 HD12 LEU 43 HD12 LEU 43 0.278 -6.543 2.712
153 HD13 LEU 43 HD13 LEU 43 -1.245 -5.723 2.369
154 HD21 LEU 43 HD21 LEU 43 1.169 -4.276 5.556
155 HD22 LEU 43 HD22 LEU 43 1.705 -5.702 4.668
156 HD23 LEU 43 HD23 LEU 43 0.293 -5.798 5.719
157 H LEU 44 HN LEU 44 -0.157 -0.769 2.475
158 HA LEU 44 HA LEU 44 -2.569 -0.818 4.051
159 HB2 LEU 44 HB2 LEU 44 -0.794 1.474 3.212
160 HB3 LEU 44 HB1 LEU 44 -2.137 1.609 4.329
161 HG LEU 44 HG LEU 44 0.367 -0.018 4.776
162 HD11 LEU 44 HD11 LEU 44 -0.584 2.557 6.017
163 HD12 LEU 44 HD12 LEU 44 0.765 2.377 4.897
164 HD13 LEU 44 HD13 LEU 44 0.848 1.649 6.501
165 HD21 LEU 44 HD21 LEU 44 -1.987 0.497 6.592
166 HD22 LEU 44 HD22 LEU 44 -0.503 -0.345 7.037
167 HD23 LEU 44 HD23 LEU 44 -1.583 -1.042 5.830
168 H THR 45 HN THR 45 -1.541 0.750 1.027
169 HA THR 45 HA THR 45 -3.930 2.060 0.448
170 HB THR 45 HB THR 45 -3.187 1.914 -1.967
171 HG1 THR 45 HG1 THR 45 -0.673 1.083 -1.300
172 HG21 THR 45 HG21 THR 45 -2.572 3.781 -0.500
173 HG22 THR 45 HG22 THR 45 -1.279 3.400 -1.638
174 HG23 THR 45 HG23 THR 45 -1.152 2.885 0.043
175 H THR 46 HN THR 46 -3.148 -1.301 0.243
176 HA THR 46 HA THR 46 -5.023 -2.098 -1.704
177 HB THR 46 HB THR 46 -4.028 -3.693 0.667
178 HG1 THR 46 HG1 THR 46 -2.783 -4.499 -1.433
179 HG21 THR 46 HG21 THR 46 -6.037 -4.640 -0.419
180 HG22 THR 46 HG22 THR 46 -4.609 -5.652 -0.653
181 HG23 THR 46 HG23 THR 46 -5.186 -4.622 -1.964
182 H LEU 47 HN LEU 47 -5.253 -2.110 1.853
183 HA LEU 47 HA LEU 47 -8.063 -2.737 1.779
184 HB2 LEU 47 HB2 LEU 47 -6.218 -1.991 4.047
185 HB3 LEU 47 HB1 LEU 47 -7.908 -2.396 4.264
186 HG LEU 47 HG LEU 47 -6.608 -4.316 4.832
187 HD11 LEU 47 HD11 LEU 47 -8.680 -4.765 3.633
188 HD12 LEU 47 HD12 LEU 47 -7.456 -5.981 3.268
189 HD13 LEU 47 HD13 LEU 47 -7.813 -4.711 2.099
190 HD21 LEU 47 HD21 LEU 47 -4.567 -3.678 3.603
191 HD22 LEU 47 HD22 LEU 47 -5.351 -4.159 2.097
192 HD23 LEU 47 HD23 LEU 47 -5.023 -5.362 3.345
193 H PHE 48 HN PHE 48 -6.100 0.075 2.679
194 HA PHE 48 HA PHE 48 -8.070 1.812 3.503
195 HB2 PHE 48 HB2 PHE 48 -5.680 2.311 3.671
196 HB3 PHE 48 HB1 PHE 48 -5.573 2.466 1.922
197 HD1 PHE 48 HD1 PHE 48 -6.126 4.482 0.841
198 HD2 PHE 48 HD2 PHE 48 -7.034 3.961 4.965
199 HE1 PHE 48 HE1 PHE 48 -6.665 6.878 1.022
200 HE2 PHE 48 HE2 PHE 48 -7.573 6.354 5.154
201 HZ PHE 48 HZ PHE 48 -7.389 7.816 3.180
202 H CYS 49 HN CYS 49 -7.314 0.763 0.272
203 HA CYS 49 HA CYS 49 -8.847 2.839 -1.016
204 HB2 CYS 49 HB2 CYS 49 -7.030 2.005 -2.287
205 HB3 CYS 49 HB1 CYS 49 -7.498 0.332 -2.002
206 HG CYS 49 HG CYS 49 -8.383 0.260 -4.430
207 H LEU 50 HN LEU 50 -9.235 -0.642 -0.439
208 HA LEU 50 HA LEU 50 -11.735 -0.926 -1.683
209 HB2 LEU 50 HB2 LEU 50 -10.572 -2.503 0.618
210 HB3 LEU 50 HB1 LEU 50 -11.930 -3.006 -0.384
211 HG LEU 50 HG LEU 50 -9.200 -2.478 -1.542
212 HD11 LEU 50 HD11 LEU 50 -9.019 -4.202 0.206
213 HD12 LEU 50 HD12 LEU 50 -8.754 -4.852 -1.412
214 HD13 LEU 50 HD13 LEU 50 -10.293 -5.123 -0.594
215 HD21 LEU 50 HD21 LEU 50 -10.037 -3.926 -3.337
216 HD22 LEU 50 HD22 LEU 50 -11.044 -2.494 -3.120
217 HD23 LEU 50 HD23 LEU 50 -11.584 -4.055 -2.501
218 H LEU 51 HN LEU 51 -10.855 0.342 1.423
219 HA LEU 51 HA LEU 51 -13.496 0.082 2.543
220 HB2 LEU 51 HB2 LEU 51 -11.099 1.655 3.485
221 HB3 LEU 51 HB1 LEU 51 -12.581 1.438 4.397
222 HG LEU 51 HG LEU 51 -10.741 -0.804 3.555
223 HD11 LEU 51 HD11 LEU 51 -10.081 -0.899 5.898
224 HD12 LEU 51 HD12 LEU 51 -11.082 0.510 6.248
225 HD13 LEU 51 HD13 LEU 51 -9.677 0.666 5.192
226 HD21 LEU 51 HD21 LEU 51 -13.040 -1.532 3.799
227 HD22 LEU 51 HD22 LEU 51 -13.144 -0.753 5.377
228 HD23 LEU 51 HD23 LEU 51 -12.070 -2.132 5.144
229 H HIS 52 HN HIS 52 -11.793 2.373 0.615
230 HA HIS 52 HA HIS 52 -13.523 4.592 1.259
231 HB2 HIS 52 HB2 HIS 52 -11.091 4.798 0.568
232 HB3 HIS 52 HB1 HIS 52 -11.608 4.394 -1.065
233 HD1 HIS 52 HD1 HIS 52 -14.156 6.416 0.474
234 HD2 HIS 52 HD2 HIS 52 -10.530 7.148 -1.417
235 HE1 HIS 52 HE1 HIS 52 -14.214 8.845 -0.173
236 HE2 HIS 52 HE2 HIS 52 -12.047 9.243 -1.395
237 H PHE 53 HN PHE 53 -12.879 2.777 -1.755
238 HA PHE 53 HA PHE 53 -15.655 3.357 -2.571
239 HB2 PHE 53 HB2 PHE 53 -13.115 3.223 -4.172
240 HB3 PHE 53 HB1 PHE 53 -14.676 2.955 -4.935
241 HD1 PHE 53 HD1 PHE 53 -16.067 4.758 -5.522
242 HD2 PHE 53 HD2 PHE 53 -12.687 5.413 -3.021
243 HE1 PHE 53 HE1 PHE 53 -16.371 7.190 -5.753
244 HE2 PHE 53 HE2 PHE 53 -12.985 7.845 -3.248
245 HZ PHE 53 HZ PHE 53 -14.830 8.733 -4.644
246 H GLY 54 HN GLY 54 -13.195 0.952 -2.157
247 HA2 GLY 54 HA2 GLY 54 -13.600 -1.347 -1.897
248 HA3 GLY 54 HA1 GLY 54 -15.177 -1.130 -2.639
249 H VAL 55 HN VAL 55 -12.967 0.490 -4.494
250 HA VAL 55 HA VAL 55 -12.026 -1.778 -6.004
251 HB VAL 55 HB VAL 55 -14.217 -1.624 -6.948
252 HG11 VAL 55 HG11 VAL 55 -13.633 1.299 -7.316
253 HG12 VAL 55 HG12 VAL 55 -14.873 0.574 -6.298
254 HG13 VAL 55 HG13 VAL 55 -14.995 0.462 -8.054
255 HG21 VAL 55 HG21 VAL 55 -13.693 -1.142 -9.299
256 HG22 VAL 55 HG22 VAL 55 -12.429 -2.093 -8.521
257 HG23 VAL 55 HG23 VAL 55 -12.192 -0.368 -8.795
258 H ILE 56 HN ILE 56 -12.375 1.737 -5.870
259 HA ILE 56 HA ILE 56 -9.572 2.073 -6.363
260 HB ILE 56 HB ILE 56 -10.334 3.827 -8.279
261 HG12 ILE 56 HG12 ILE 56 -11.721 2.416 -9.893
262 HG13 ILE 56 HG11 ILE 56 -12.151 1.427 -8.502
263 HG21 ILE 56 HG21 ILE 56 -8.440 2.301 -8.360
264 HG22 ILE 56 HG22 ILE 56 -9.344 2.274 -9.874
265 HG23 ILE 56 HG23 ILE 56 -9.527 0.957 -8.715
266 HD11 ILE 56 HD11 ILE 56 -13.182 3.329 -7.431
267 HD12 ILE 56 HD12 ILE 56 -13.861 3.089 -9.041
268 HD13 ILE 56 HD13 ILE 56 -12.686 4.376 -8.762
269 H GLY 57 HN GLY 57 -9.204 3.366 -4.698
270 HA2 GLY 57 HA2 GLY 57 -11.009 5.631 -4.210
271 HA3 GLY 57 HA1 GLY 57 -9.859 4.974 -3.056
272 HA PRO 58 HA PRO 58 -6.802 7.947 -4.157
273 HB2 PRO 58 HB2 PRO 58 -4.780 5.902 -4.794
274 HB3 PRO 58 HB1 PRO 58 -4.790 7.105 -3.503
275 HG2 PRO 58 HG2 PRO 58 -5.149 4.494 -2.999
276 HG3 PRO 58 HG1 PRO 58 -5.985 5.752 -2.067
277 HD2 PRO 58 HD2 PRO 58 -7.021 4.035 -4.292
278 HD3 PRO 58 HD1 PRO 58 -7.817 4.519 -2.778
279 H GLN 59 HN GLN 59 -5.096 8.544 -5.854
280 HA GLN 59 HA GLN 59 -6.073 7.699 -8.501
281 HB2 GLN 59 HB2 GLN 59 -6.552 10.050 -7.994
282 HB3 GLN 59 HB1 GLN 59 -4.846 10.340 -7.682
283 HG2 GLN 59 HG2 GLN 59 -5.485 11.151 -9.876
284 HG3 GLN 59 HG1 GLN 59 -4.323 9.832 -10.004
285 HE21 GLN 59 HE21 GLN 59 -4.927 9.319 -12.092
286 HE22 GLN 59 HE22 GLN 59 -6.433 8.556 -12.465
287 H ARG 60 HN ARG 60 -4.667 6.124 -9.078
288 HA ARG 60 HA ARG 60 -1.810 6.844 -9.133
289 HB2 ARG 60 HB2 ARG 60 -2.313 5.031 -7.521
290 HB3 ARG 60 HB1 ARG 60 -2.986 4.076 -8.835
291 HG2 ARG 60 HG2 ARG 60 -0.794 4.060 -9.934
292 HG3 ARG 60 HG1 ARG 60 -0.126 4.984 -8.587
293 HD2 ARG 60 HD2 ARG 60 -0.739 3.159 -7.057
294 HD3 ARG 60 HD1 ARG 60 -1.358 2.236 -8.425
295 HE ARG 60 HE ARG 60 1.362 3.021 -8.792
296 HH11 ARG 60 HH11 ARG 60 -0.704 0.683 -7.240
297 HH12 ARG 60 HH12 ARG 60 0.516 -0.543 -7.176
298 HH21 ARG 60 HH21 ARG 60 2.974 1.413 -8.710
299 HH22 ARG 60 HH22 ARG 60 2.609 -0.128 -8.011
Start of MODEL 8
1 H1 ARG 28 HT1 ARG 28 25.676 -3.467 -8.183
2 H2 ARG 28 HT2 ARG 28 24.253 -2.648 -8.589
3 H3 ARG 28 HT3 ARG 28 24.416 -3.350 -7.060
4 HA ARG 28 HA ARG 28 26.192 -1.832 -6.506
5 HB2 ARG 28 HB2 ARG 28 25.553 -0.557 -9.173
6 HB3 ARG 28 HB1 ARG 28 26.719 0.028 -7.995
7 HG2 ARG 28 HG2 ARG 28 28.056 -1.995 -8.319
8 HG3 ARG 28 HG1 ARG 28 26.889 -2.566 -9.514
9 HD2 ARG 28 HD2 ARG 28 28.552 -0.057 -9.699
10 HD3 ARG 28 HD1 ARG 28 28.808 -1.546 -10.607
11 HE ARG 28 HE ARG 28 26.250 -0.816 -11.208
12 HH11 ARG 28 HH11 ARG 28 29.359 0.744 -11.416
13 HH12 ARG 28 HH12 ARG 28 28.920 1.722 -12.775
14 HH21 ARG 28 HH21 ARG 28 25.665 0.470 -12.997
15 HH22 ARG 28 HH22 ARG 28 26.820 1.569 -13.672
16 H ARG 29 HN ARG 29 22.993 -1.941 -7.362
17 HA ARG 29 HA ARG 29 22.418 0.578 -5.945
18 HB2 ARG 29 HB2 ARG 29 20.878 -0.771 -8.165
19 HB3 ARG 29 HB1 ARG 29 20.230 0.549 -7.200
20 HG2 ARG 29 HG2 ARG 29 21.882 2.058 -8.012
21 HG3 ARG 29 HG1 ARG 29 22.774 0.751 -8.792
22 HD2 ARG 29 HD2 ARG 29 19.961 1.559 -9.517
23 HD3 ARG 29 HD1 ARG 29 21.403 2.133 -10.353
24 HE ARG 29 HE ARG 29 21.436 -0.672 -10.299
25 HH11 ARG 29 HH11 ARG 29 19.670 1.952 -11.760
26 HH12 ARG 29 HH12 ARG 29 19.251 1.052 -13.178
27 HH21 ARG 29 HH21 ARG 29 20.892 -1.865 -12.166
28 HH22 ARG 29 HH22 ARG 29 19.946 -1.117 -13.410
29 H CYS 30 HN CYS 30 20.498 0.602 -4.617
30 HA CYS 30 HA CYS 30 20.066 -1.988 -3.327
31 HB2 CYS 30 HB2 CYS 30 19.043 -0.603 -1.504
32 HB3 CYS 30 HB1 CYS 30 20.739 -0.251 -1.816
33 HG CYS 30 HG CYS 30 19.908 1.988 -3.536
34 H LEU 31 HN LEU 31 18.595 -2.942 -4.737
35 HA LEU 31 HA LEU 31 16.122 -1.578 -5.378
36 HB2 LEU 31 HB2 LEU 31 17.090 -4.371 -5.985
37 HB3 LEU 31 HB1 LEU 31 15.566 -3.710 -6.546
38 HG LEU 31 HG LEU 31 18.280 -2.594 -7.257
39 HD11 LEU 31 HD11 LEU 31 17.873 -3.558 -9.470
40 HD12 LEU 31 HD12 LEU 31 16.402 -4.319 -8.865
41 HD13 LEU 31 HD13 LEU 31 17.972 -4.802 -8.224
42 HD21 LEU 31 HD21 LEU 31 17.042 -1.303 -8.924
43 HD22 LEU 31 HD22 LEU 31 16.498 -0.926 -7.290
44 HD23 LEU 31 HD23 LEU 31 15.526 -1.973 -8.322
45 H PHE 32 HN PHE 32 17.225 -4.200 -3.304
46 HA PHE 32 HA PHE 32 14.614 -4.971 -2.444
47 HB2 PHE 32 HB2 PHE 32 16.585 -6.486 -2.383
48 HB3 PHE 32 HB1 PHE 32 17.280 -5.488 -1.112
49 HD1 PHE 32 HD1 PHE 32 14.616 -7.866 -1.950
50 HD2 PHE 32 HD2 PHE 32 16.473 -5.599 1.137
51 HE1 PHE 32 HE1 PHE 32 13.414 -9.190 -0.260
52 HE2 PHE 32 HE2 PHE 32 15.275 -6.920 2.833
53 HZ PHE 32 HZ PHE 32 13.746 -8.725 2.132
54 H LEU 33 HN LEU 33 17.151 -2.881 -1.148
55 HA LEU 33 HA LEU 33 16.061 -2.351 1.354
56 HB2 LEU 33 HB2 LEU 33 18.225 -1.456 -0.175
57 HB3 LEU 33 HB1 LEU 33 17.306 -0.011 0.202
58 HG LEU 33 HG LEU 33 17.374 -0.837 2.634
59 HD11 LEU 33 HD11 LEU 33 19.309 -2.233 3.185
60 HD12 LEU 33 HD12 LEU 33 19.615 -2.476 1.466
61 HD13 LEU 33 HD13 LEU 33 18.134 -3.098 2.195
62 HD21 LEU 33 HD21 LEU 33 18.588 1.114 1.843
63 HD22 LEU 33 HD22 LEU 33 19.889 0.083 1.249
64 HD23 LEU 33 HD23 LEU 33 19.574 0.195 2.980
65 H SER 34 HN SER 34 15.390 -0.907 -1.788
66 HA SER 34 HA SER 34 13.714 1.169 -0.759
67 HB2 SER 34 HB2 SER 34 13.118 1.552 -3.121
68 HB3 SER 34 HB1 SER 34 14.863 1.419 -2.912
69 HG SER 34 HG SER 34 14.843 -0.540 -3.855
70 H LEU 35 HN LEU 35 13.192 -2.065 -2.054
71 HA LEU 35 HA LEU 35 10.341 -1.861 -2.105
72 HB2 LEU 35 HB2 LEU 35 12.363 -3.904 -2.670
73 HB3 LEU 35 HB1 LEU 35 10.887 -4.551 -1.983
74 HG LEU 35 HG LEU 35 10.834 -4.621 -4.422
75 HD11 LEU 35 HD11 LEU 35 8.918 -2.574 -3.319
76 HD12 LEU 35 HD12 LEU 35 8.741 -4.322 -3.182
77 HD13 LEU 35 HD13 LEU 35 8.687 -3.552 -4.769
78 HD21 LEU 35 HD21 LEU 35 12.284 -2.759 -4.936
79 HD22 LEU 35 HD22 LEU 35 11.119 -1.624 -4.249
80 HD23 LEU 35 HD23 LEU 35 10.717 -2.524 -5.713
81 H PHE 36 HN PHE 36 12.534 -2.098 0.392
82 HA PHE 36 HA PHE 36 11.129 -3.855 2.144
83 HB2 PHE 36 HB2 PHE 36 13.534 -3.382 2.396
84 HB3 PHE 36 HB1 PHE 36 13.162 -1.706 2.782
85 HD1 PHE 36 HD1 PHE 36 12.318 -5.153 3.924
86 HD2 PHE 36 HD2 PHE 36 13.041 -1.097 4.994
87 HE1 PHE 36 HE1 PHE 36 12.132 -5.751 6.303
88 HE2 PHE 36 HE2 PHE 36 12.855 -1.689 7.376
89 HZ PHE 36 HZ PHE 36 12.394 -4.012 8.033
90 H SER 37 HN SER 37 10.740 -0.567 1.235
91 HA SER 37 HA SER 37 8.921 -0.109 3.505
92 HB2 SER 37 HB2 SER 37 10.307 1.908 1.723
93 HB3 SER 37 HB1 SER 37 9.199 2.303 3.036
94 HG SER 37 HG SER 37 11.023 2.352 4.117
95 H PHE 38 HN PHE 38 9.192 -0.258 0.047
96 HA PHE 38 HA PHE 38 6.736 1.029 -0.580
97 HB2 PHE 38 HB2 PHE 38 8.663 0.618 -2.170
98 HB3 PHE 38 HB1 PHE 38 8.144 -1.062 -2.236
99 HD1 PHE 38 HD1 PHE 38 7.204 2.400 -3.063
100 HD2 PHE 38 HD2 PHE 38 6.269 -1.725 -3.529
101 HE1 PHE 38 HE1 PHE 38 5.612 2.967 -4.851
102 HE2 PHE 38 HE2 PHE 38 4.675 -1.166 -5.318
103 HZ PHE 38 HZ PHE 38 4.345 1.184 -5.981
104 H LEU 39 HN LEU 39 7.503 -2.025 0.711
105 HA LEU 39 HA LEU 39 5.203 -3.429 -0.278
106 HB2 LEU 39 HB2 LEU 39 7.394 -4.461 0.471
107 HB3 LEU 39 HB1 LEU 39 6.883 -4.146 2.118
108 HG LEU 39 HG LEU 39 5.078 -5.707 0.333
109 HD11 LEU 39 HD11 LEU 39 7.287 -6.703 -0.006
110 HD12 LEU 39 HD12 LEU 39 6.223 -7.773 0.908
111 HD13 LEU 39 HD13 LEU 39 7.481 -6.859 1.739
112 HD21 LEU 39 HD21 LEU 39 5.732 -5.794 3.277
113 HD22 LEU 39 HD22 LEU 39 4.564 -6.836 2.464
114 HD23 LEU 39 HD23 LEU 39 4.289 -5.097 2.541
115 H ILE 40 HN ILE 40 6.003 -1.520 2.534
116 HA ILE 40 HA ILE 40 3.656 -2.245 4.021
117 HB ILE 40 HB ILE 40 5.463 0.139 4.440
118 HG12 ILE 40 HG12 ILE 40 5.631 -2.598 5.719
119 HG13 ILE 40 HG11 ILE 40 6.683 -2.043 4.421
120 HG21 ILE 40 HG21 ILE 40 4.642 0.055 6.741
121 HG22 ILE 40 HG22 ILE 40 3.594 -1.299 6.320
122 HG23 ILE 40 HG23 ILE 40 3.320 0.286 5.598
123 HD11 ILE 40 HD11 ILE 40 6.479 -0.852 7.177
124 HD12 ILE 40 HD12 ILE 40 7.511 -0.257 5.878
125 HD13 ILE 40 HD13 ILE 40 7.789 -1.859 6.561
126 H VAL 41 HN VAL 41 4.556 0.274 1.764
127 HA VAL 41 HA VAL 41 2.275 1.929 2.298
128 HB VAL 41 HB VAL 41 4.486 2.729 1.336
129 HG11 VAL 41 HG11 VAL 41 4.687 2.643 -1.114
130 HG12 VAL 41 HG12 VAL 41 3.302 1.553 -1.167
131 HG13 VAL 41 HG13 VAL 41 4.788 1.052 -0.362
132 HG21 VAL 41 HG21 VAL 41 1.926 3.476 -0.074
133 HG22 VAL 41 HG22 VAL 41 3.405 4.435 -0.075
134 HG23 VAL 41 HG23 VAL 41 2.530 4.162 1.433
135 H LEU 42 HN LEU 42 2.968 -0.770 0.255
136 HA LEU 42 HA LEU 42 0.706 -0.338 -1.496
137 HB2 LEU 42 HB2 LEU 42 3.036 -1.574 -1.900
138 HB3 LEU 42 HB1 LEU 42 2.107 -2.962 -1.349
139 HG LEU 42 HG LEU 42 2.135 -2.838 -3.783
140 HD11 LEU 42 HD11 LEU 42 -0.251 -2.983 -4.199
141 HD12 LEU 42 HD12 LEU 42 -0.585 -2.169 -2.671
142 HD13 LEU 42 HD13 LEU 42 0.160 -3.767 -2.674
143 HD21 LEU 42 HD21 LEU 42 0.776 -0.167 -3.442
144 HD22 LEU 42 HD22 LEU 42 1.050 -1.004 -4.970
145 HD23 LEU 42 HD23 LEU 42 2.421 -0.426 -4.022
146 H LEU 43 HN LEU 43 1.600 -2.556 1.119
147 HA LEU 43 HA LEU 43 -0.653 -4.191 1.098
148 HB2 LEU 43 HB2 LEU 43 1.580 -4.192 2.529
149 HB3 LEU 43 HB1 LEU 43 0.562 -3.382 3.701
150 HG LEU 43 HG LEU 43 0.696 -5.780 4.140
151 HD11 LEU 43 HD11 LEU 43 -1.349 -4.569 4.735
152 HD12 LEU 43 HD12 LEU 43 -1.670 -6.254 4.328
153 HD13 LEU 43 HD13 LEU 43 -2.039 -4.981 3.166
154 HD21 LEU 43 HD21 LEU 43 -0.278 -7.399 2.599
155 HD22 LEU 43 HD22 LEU 43 1.072 -6.546 1.851
156 HD23 LEU 43 HD23 LEU 43 -0.585 -6.114 1.431
157 H LEU 44 HN LEU 44 -0.116 -1.057 2.628
158 HA LEU 44 HA LEU 44 -2.567 -0.979 4.047
159 HB2 LEU 44 HB2 LEU 44 -0.655 1.175 3.174
160 HB3 LEU 44 HB1 LEU 44 -2.099 1.517 4.106
161 HG LEU 44 HG LEU 44 0.164 -0.267 5.011
162 HD11 LEU 44 HD11 LEU 44 -0.577 2.548 5.794
163 HD12 LEU 44 HD12 LEU 44 0.866 2.048 4.913
164 HD13 LEU 44 HD13 LEU 44 0.644 1.556 6.592
165 HD21 LEU 44 HD21 LEU 44 -1.999 -0.917 5.945
166 HD22 LEU 44 HD22 LEU 44 -2.273 0.741 6.477
167 HD23 LEU 44 HD23 LEU 44 -0.959 -0.204 7.180
168 H THR 45 HN THR 45 -1.552 0.506 0.974
169 HA THR 45 HA THR 45 -3.933 1.817 0.375
170 HB THR 45 HB THR 45 -3.203 1.596 -2.040
171 HG1 THR 45 HG1 THR 45 -0.705 0.714 -1.234
172 HG21 THR 45 HG21 THR 45 -2.575 3.514 -0.676
173 HG22 THR 45 HG22 THR 45 -1.247 3.058 -1.743
174 HG23 THR 45 HG23 THR 45 -1.195 2.626 -0.034
175 H THR 46 HN THR 46 -3.189 -1.552 0.250
176 HA THR 46 HA THR 46 -5.029 -2.408 -1.685
177 HB THR 46 HB THR 46 -4.165 -3.905 0.798
178 HG1 THR 46 HG1 THR 46 -2.400 -4.477 -0.324
179 HG21 THR 46 HG21 THR 46 -6.122 -4.884 -0.329
180 HG22 THR 46 HG22 THR 46 -4.697 -5.910 -0.487
181 HG23 THR 46 HG23 THR 46 -5.222 -4.917 -1.845
182 H LEU 47 HN LEU 47 -5.400 -2.376 1.866
183 HA LEU 47 HA LEU 47 -8.250 -2.806 1.629
184 HB2 LEU 47 HB2 LEU 47 -6.410 -2.426 3.984
185 HB3 LEU 47 HB1 LEU 47 -8.147 -2.564 4.160
186 HG LEU 47 HG LEU 47 -7.112 -4.692 4.635
187 HD11 LEU 47 HD11 LEU 47 -9.286 -4.737 3.539
188 HD12 LEU 47 HD12 LEU 47 -8.301 -6.116 3.051
189 HD13 LEU 47 HD13 LEU 47 -8.500 -4.744 1.960
190 HD21 LEU 47 HD21 LEU 47 -5.820 -5.916 2.986
191 HD22 LEU 47 HD22 LEU 47 -5.054 -4.368 3.339
192 HD23 LEU 47 HD23 LEU 47 -5.970 -4.579 1.847
193 H PHE 48 HN PHE 48 -6.086 -0.148 1.996
194 HA PHE 48 HA PHE 48 -7.870 1.709 3.173
195 HB2 PHE 48 HB2 PHE 48 -5.536 2.188 3.277
196 HB3 PHE 48 HB1 PHE 48 -5.359 2.054 1.532
197 HD1 PHE 48 HD1 PHE 48 -5.617 3.923 0.150
198 HD2 PHE 48 HD2 PHE 48 -6.876 4.113 4.211
199 HE1 PHE 48 HE1 PHE 48 -5.953 6.350 -0.071
200 HE2 PHE 48 HE2 PHE 48 -7.214 6.540 3.997
201 HZ PHE 48 HZ PHE 48 -6.739 7.664 1.860
202 H CYS 49 HN CYS 49 -7.231 0.742 -0.140
203 HA CYS 49 HA CYS 49 -8.851 2.846 -1.261
204 HB2 CYS 49 HB2 CYS 49 -6.930 1.980 -2.508
205 HB3 CYS 49 HB1 CYS 49 -7.658 0.379 -2.544
206 HG CYS 49 HG CYS 49 -8.383 3.104 -4.395
207 H LEU 50 HN LEU 50 -9.140 -0.692 -0.964
208 HA LEU 50 HA LEU 50 -11.625 -1.024 -2.138
209 HB2 LEU 50 HB2 LEU 50 -10.400 -2.507 0.191
210 HB3 LEU 50 HB1 LEU 50 -11.841 -3.039 -0.669
211 HG LEU 50 HG LEU 50 -9.178 -2.643 -2.032
212 HD11 LEU 50 HD11 LEU 50 -8.987 -5.119 -1.917
213 HD12 LEU 50 HD12 LEU 50 -10.336 -5.128 -0.780
214 HD13 LEU 50 HD13 LEU 50 -8.828 -4.318 -0.354
215 HD21 LEU 50 HD21 LEU 50 -11.665 -4.162 -2.812
216 HD22 LEU 50 HD22 LEU 50 -10.174 -4.068 -3.747
217 HD23 LEU 50 HD23 LEU 50 -11.142 -2.618 -3.484
218 H LEU 51 HN LEU 51 -10.816 0.025 1.115
219 HA LEU 51 HA LEU 51 -13.546 -0.021 2.031
220 HB2 LEU 51 HB2 LEU 51 -11.008 1.094 3.214
221 HB3 LEU 51 HB1 LEU 51 -12.566 1.188 4.016
222 HG LEU 51 HG LEU 51 -11.150 -1.374 3.268
223 HD11 LEU 51 HD11 LEU 51 -10.807 -1.628 5.680
224 HD12 LEU 51 HD12 LEU 51 -11.502 -0.029 5.943
225 HD13 LEU 51 HD13 LEU 51 -9.991 -0.198 5.050
226 HD21 LEU 51 HD21 LEU 51 -13.674 -0.883 4.846
227 HD22 LEU 51 HD22 LEU 51 -12.872 -2.443 4.655
228 HD23 LEU 51 HD23 LEU 51 -13.564 -1.629 3.252
229 H HIS 52 HN HIS 52 -11.320 2.351 0.723
230 HA HIS 52 HA HIS 52 -12.741 4.677 1.418
231 HB2 HIS 52 HB2 HIS 52 -10.380 4.573 0.547
232 HB3 HIS 52 HB1 HIS 52 -11.050 4.295 -1.057
233 HD1 HIS 52 HD1 HIS 52 -12.491 6.301 -2.067
234 HD2 HIS 52 HD2 HIS 52 -10.287 7.194 1.340
235 HE1 HIS 52 HE1 HIS 52 -12.405 8.812 -1.961
236 HE2 HIS 52 HE2 HIS 52 -11.147 9.328 0.160
237 H PHE 53 HN PHE 53 -12.705 2.884 -1.669
238 HA PHE 53 HA PHE 53 -14.918 4.390 -2.706
239 HB2 PHE 53 HB2 PHE 53 -13.484 1.931 -3.716
240 HB3 PHE 53 HB1 PHE 53 -14.806 2.707 -4.582
241 HD1 PHE 53 HD1 PHE 53 -11.360 3.169 -3.346
242 HD2 PHE 53 HD2 PHE 53 -14.453 4.659 -5.864
243 HE1 PHE 53 HE1 PHE 53 -9.758 4.714 -4.396
244 HE2 PHE 53 HE2 PHE 53 -12.856 6.205 -6.917
245 HZ PHE 53 HZ PHE 53 -10.505 6.233 -6.187
246 H GLY 54 HN GLY 54 -14.515 1.462 -0.915
247 HA2 GLY 54 HA2 GLY 54 -16.044 0.039 0.036
248 HA3 GLY 54 HA1 GLY 54 -17.264 1.255 -0.310
249 H VAL 55 HN VAL 55 -15.348 -0.080 -2.882
250 HA VAL 55 HA VAL 55 -17.507 -0.802 -4.459
251 HB VAL 55 HB VAL 55 -15.336 -0.514 -5.443
252 HG11 VAL 55 HG11 VAL 55 -14.485 -2.963 -3.917
253 HG12 VAL 55 HG12 VAL 55 -13.961 -1.310 -3.608
254 HG13 VAL 55 HG13 VAL 55 -13.516 -2.110 -5.116
255 HG21 VAL 55 HG21 VAL 55 -16.293 -3.355 -5.746
256 HG22 VAL 55 HG22 VAL 55 -15.194 -2.530 -6.850
257 HG23 VAL 55 HG23 VAL 55 -16.849 -1.953 -6.660
258 H ILE 56 HN ILE 56 -15.579 -2.820 -2.290
259 HA ILE 56 HA ILE 56 -17.786 -4.561 -1.787
260 HB ILE 56 HB ILE 56 -16.146 -6.586 -2.463
261 HG12 ILE 56 HG12 ILE 56 -15.472 -6.071 -4.884
262 HG13 ILE 56 HG11 ILE 56 -15.641 -4.376 -4.451
263 HG21 ILE 56 HG21 ILE 56 -18.144 -5.306 -4.320
264 HG22 ILE 56 HG22 ILE 56 -18.535 -6.365 -2.967
265 HG23 ILE 56 HG23 ILE 56 -17.623 -6.990 -4.341
266 HD11 ILE 56 HD11 ILE 56 -13.777 -6.340 -3.140
267 HD12 ILE 56 HD12 ILE 56 -13.929 -4.626 -2.749
268 HD13 ILE 56 HD13 ILE 56 -13.329 -5.119 -4.332
269 H GLY 57 HN GLY 57 -17.371 -3.982 0.337
270 HA2 GLY 57 HA2 GLY 57 -15.162 -5.463 1.555
271 HA3 GLY 57 HA1 GLY 57 -15.253 -3.739 1.870
272 HA PRO 58 HA PRO 58 -17.967 -4.470 5.256
273 HB2 PRO 58 HB2 PRO 58 -19.776 -2.448 5.088
274 HB3 PRO 58 HB1 PRO 58 -18.103 -2.207 5.601
275 HG2 PRO 58 HG2 PRO 58 -19.349 -1.733 2.921
276 HG3 PRO 58 HG1 PRO 58 -18.195 -0.725 3.813
277 HD2 PRO 58 HD2 PRO 58 -17.439 -2.351 1.787
278 HD3 PRO 58 HD1 PRO 58 -16.388 -2.010 3.176
279 H GLN 59 HN GLN 59 -19.046 -4.811 2.108
280 HA GLN 59 HA GLN 59 -20.787 -5.890 1.127
281 HB2 GLN 59 HB2 GLN 59 -21.041 -7.034 3.909
282 HB3 GLN 59 HB1 GLN 59 -21.981 -7.599 2.536
283 HG2 GLN 59 HG2 GLN 59 -18.976 -7.630 2.693
284 HG3 GLN 59 HG1 GLN 59 -20.024 -9.007 3.024
285 HE21 GLN 59 HE21 GLN 59 -17.949 -8.671 1.001
286 HE22 GLN 59 HE22 GLN 59 -18.717 -8.940 -0.523
287 H ARG 60 HN ARG 60 -21.186 -3.289 2.670
288 HA ARG 60 HA ARG 60 -23.978 -3.397 3.420
289 HB2 ARG 60 HB2 ARG 60 -22.400 -1.961 4.657
290 HB3 ARG 60 HB1 ARG 60 -22.109 -1.028 3.196
291 HG2 ARG 60 HG2 ARG 60 -23.631 0.172 4.602
292 HG3 ARG 60 HG1 ARG 60 -24.500 -0.392 3.174
293 HD2 ARG 60 HD2 ARG 60 -25.359 -2.296 4.482
294 HD3 ARG 60 HD1 ARG 60 -24.535 -1.667 5.908
295 HE ARG 60 HE ARG 60 -26.105 0.398 5.052
296 HH11 ARG 60 HH11 ARG 60 -26.671 -2.922 5.950
297 HH12 ARG 60 HH12 ARG 60 -28.272 -2.624 6.538
298 HH21 ARG 60 HH21 ARG 60 -28.216 0.796 5.825
299 HH22 ARG 60 HH22 ARG 60 -29.150 -0.514 6.468
Start of MODEL 9
1 H1 ARG 28 HT1 ARG 28 18.105 11.758 0.055
2 H2 ARG 28 HT2 ARG 28 19.562 10.901 0.128
3 H3 ARG 28 HT3 ARG 28 19.480 12.480 0.727
4 HA ARG 28 HA ARG 28 19.487 10.910 2.533
5 HB2 ARG 28 HB2 ARG 28 17.439 11.673 3.665
6 HB3 ARG 28 HB1 ARG 28 18.247 12.991 2.826
7 HG2 ARG 28 HG2 ARG 28 16.646 12.778 0.978
8 HG3 ARG 28 HG1 ARG 28 15.824 11.488 1.856
9 HD2 ARG 28 HD2 ARG 28 15.344 13.047 3.685
10 HD3 ARG 28 HD1 ARG 28 16.159 14.335 2.798
11 HE ARG 28 HE ARG 28 14.080 13.166 1.251
12 HH11 ARG 28 HH11 ARG 28 14.675 15.380 3.875
13 HH12 ARG 28 HH12 ARG 28 13.228 16.291 3.603
14 HH21 ARG 28 HH21 ARG 28 12.173 14.360 0.887
15 HH22 ARG 28 HH22 ARG 28 11.806 15.712 1.906
16 H ARG 29 HN ARG 29 17.202 10.216 0.012
17 HA ARG 29 HA ARG 29 15.948 8.018 1.378
18 HB2 ARG 29 HB2 ARG 29 14.771 9.337 -0.348
19 HB3 ARG 29 HB1 ARG 29 15.909 8.756 -1.554
20 HG2 ARG 29 HG2 ARG 29 13.996 7.440 -1.825
21 HG3 ARG 29 HG1 ARG 29 15.134 6.417 -0.947
22 HD2 ARG 29 HD2 ARG 29 12.998 8.055 0.403
23 HD3 ARG 29 HD1 ARG 29 12.754 6.388 -0.112
24 HE ARG 29 HE ARG 29 15.066 6.558 1.490
25 HH11 ARG 29 HH11 ARG 29 11.594 6.733 1.717
26 HH12 ARG 29 HH12 ARG 29 11.543 6.169 3.355
27 HH21 ARG 29 HH21 ARG 29 15.010 5.814 3.645
28 HH22 ARG 29 HH22 ARG 29 13.486 5.648 4.450
29 H CYS 30 HN CYS 30 16.322 5.850 1.132
30 HA CYS 30 HA CYS 30 18.856 5.134 -0.174
31 HB2 CYS 30 HB2 CYS 30 17.294 3.691 1.977
32 HB3 CYS 30 HB1 CYS 30 18.812 3.132 1.283
33 HG CYS 30 HG CYS 30 19.889 5.840 2.144
34 H LEU 31 HN LEU 31 18.933 3.693 -1.798
35 HA LEU 31 HA LEU 31 16.571 3.022 -3.203
36 HB2 LEU 31 HB2 LEU 31 19.441 2.168 -3.477
37 HB3 LEU 31 HB1 LEU 31 18.187 1.513 -4.510
38 HG LEU 31 HG LEU 31 19.356 3.302 -5.647
39 HD11 LEU 31 HD11 LEU 31 16.586 4.151 -4.819
40 HD12 LEU 31 HD12 LEU 31 16.984 3.025 -6.116
41 HD13 LEU 31 HD13 LEU 31 17.463 4.718 -6.239
42 HD21 LEU 31 HD21 LEU 31 19.322 5.592 -4.837
43 HD22 LEU 31 HD22 LEU 31 20.118 4.536 -3.672
44 HD23 LEU 31 HD23 LEU 31 18.467 5.083 -3.381
45 H PHE 32 HN PHE 32 18.466 1.367 -0.801
46 HA PHE 32 HA PHE 32 17.301 -1.215 -1.295
47 HB2 PHE 32 HB2 PHE 32 19.018 -0.128 0.937
48 HB3 PHE 32 HB1 PHE 32 18.415 -1.782 0.915
49 HD1 PHE 32 HD1 PHE 32 19.274 -3.401 -0.654
50 HD2 PHE 32 HD2 PHE 32 20.726 0.599 -0.615
51 HE1 PHE 32 HE1 PHE 32 21.192 -4.088 -2.033
52 HE2 PHE 32 HE2 PHE 32 22.647 -0.080 -1.995
53 HZ PHE 32 HZ PHE 32 22.882 -2.427 -2.707
54 H LEU 33 HN LEU 33 16.807 1.424 0.994
55 HA LEU 33 HA LEU 33 14.862 0.055 2.562
56 HB2 LEU 33 HB2 LEU 33 15.436 3.000 2.276
57 HB3 LEU 33 HB1 LEU 33 14.356 2.306 3.470
58 HG LEU 33 HG LEU 33 17.345 1.935 3.289
59 HD11 LEU 33 HD11 LEU 33 17.311 2.998 5.490
60 HD12 LEU 33 HD12 LEU 33 15.562 3.184 5.368
61 HD13 LEU 33 HD13 LEU 33 16.619 4.044 4.249
62 HD21 LEU 33 HD21 LEU 33 16.372 -0.181 3.939
63 HD22 LEU 33 HD22 LEU 33 15.354 0.619 5.137
64 HD23 LEU 33 HD23 LEU 33 17.105 0.586 5.348
65 H SER 34 HN SER 34 14.778 1.829 -0.400
66 HA SER 34 HA SER 34 12.090 2.629 -0.443
67 HB2 SER 34 HB2 SER 34 13.716 3.466 -2.064
68 HB3 SER 34 HB1 SER 34 13.893 1.850 -2.748
69 HG SER 34 HG SER 34 12.095 2.107 -3.818
70 H LEU 35 HN LEU 35 13.646 -0.402 -1.332
71 HA LEU 35 HA LEU 35 11.277 -1.601 -2.391
72 HB2 LEU 35 HB2 LEU 35 13.601 -2.262 -3.011
73 HB3 LEU 35 HB1 LEU 35 13.802 -2.932 -1.405
74 HG LEU 35 HG LEU 35 11.537 -3.927 -3.074
75 HD11 LEU 35 HD11 LEU 35 13.003 -5.582 -4.121
76 HD12 LEU 35 HD12 LEU 35 14.409 -4.778 -3.422
77 HD13 LEU 35 HD13 LEU 35 13.419 -3.942 -4.619
78 HD21 LEU 35 HD21 LEU 35 11.741 -4.707 -0.792
79 HD22 LEU 35 HD22 LEU 35 13.414 -5.185 -1.075
80 HD23 LEU 35 HD23 LEU 35 12.105 -6.025 -1.906
81 H PHE 36 HN PHE 36 12.832 -1.453 0.736
82 HA PHE 36 HA PHE 36 11.374 -3.528 1.994
83 HB2 PHE 36 HB2 PHE 36 13.501 -2.507 2.850
84 HB3 PHE 36 HB1 PHE 36 12.579 -1.077 3.298
85 HD1 PHE 36 HD1 PHE 36 13.156 -4.633 4.023
86 HD2 PHE 36 HD2 PHE 36 11.174 -1.063 5.226
87 HE1 PHE 36 HE1 PHE 36 12.610 -5.670 6.186
88 HE2 PHE 36 HE2 PHE 36 10.626 -2.094 7.392
89 HZ PHE 36 HZ PHE 36 11.365 -4.397 7.881
90 H SER 37 HN SER 37 10.797 -0.075 1.583
91 HA SER 37 HA SER 37 8.418 -0.108 3.217
92 HB2 SER 37 HB2 SER 37 9.546 2.028 1.387
93 HB3 SER 37 HB1 SER 37 8.164 2.246 2.460
94 HG SER 37 HG SER 37 9.511 1.930 4.217
95 H PHE 38 HN PHE 38 9.223 -0.854 0.009
96 HA PHE 38 HA PHE 38 6.844 -0.128 -1.326
97 HB2 PHE 38 HB2 PHE 38 9.130 -0.900 -2.291
98 HB3 PHE 38 HB1 PHE 38 8.484 -2.523 -2.083
99 HD1 PHE 38 HD1 PHE 38 8.074 0.661 -3.866
100 HD2 PHE 38 HD2 PHE 38 6.800 -3.384 -3.528
101 HE1 PHE 38 HE1 PHE 38 6.913 0.851 -6.027
102 HE2 PHE 38 HE2 PHE 38 5.636 -3.204 -5.688
103 HZ PHE 38 HZ PHE 38 5.692 -1.085 -6.940
104 H LEU 39 HN LEU 39 7.556 -2.580 0.934
105 HA LEU 39 HA LEU 39 5.423 -4.356 0.120
106 HB2 LEU 39 HB2 LEU 39 7.583 -5.091 1.221
107 HB3 LEU 39 HB1 LEU 39 6.978 -4.387 2.708
108 HG LEU 39 HG LEU 39 5.352 -6.456 1.281
109 HD11 LEU 39 HD11 LEU 39 7.583 -7.416 1.438
110 HD12 LEU 39 HD12 LEU 39 6.478 -8.203 2.564
111 HD13 LEU 39 HD13 LEU 39 7.643 -7.021 3.155
112 HD21 LEU 39 HD21 LEU 39 5.693 -5.666 4.171
113 HD22 LEU 39 HD22 LEU 39 4.656 -6.969 3.595
114 HD23 LEU 39 HD23 LEU 39 4.313 -5.301 3.136
115 H ILE 40 HN ILE 40 6.047 -1.972 2.643
116 HA ILE 40 HA ILE 40 3.594 -2.371 4.029
117 HB ILE 40 HB ILE 40 5.358 0.083 4.029
118 HG12 ILE 40 HG12 ILE 40 5.386 -2.256 5.949
119 HG13 ILE 40 HG11 ILE 40 6.528 -2.062 4.623
120 HG21 ILE 40 HG21 ILE 40 3.146 0.503 4.943
121 HG22 ILE 40 HG22 ILE 40 4.352 0.507 6.230
122 HG23 ILE 40 HG23 ILE 40 3.301 -0.892 6.010
123 HD11 ILE 40 HD11 ILE 40 6.181 -0.174 6.943
124 HD12 ILE 40 HD12 ILE 40 7.331 0.014 5.618
125 HD13 ILE 40 HD13 ILE 40 7.486 -1.342 6.735
126 H VAL 41 HN VAL 41 4.580 -0.405 1.315
127 HA VAL 41 HA VAL 41 2.320 1.333 1.361
128 HB VAL 41 HB VAL 41 4.517 1.861 0.261
129 HG11 VAL 41 HG11 VAL 41 4.828 -0.272 -0.868
130 HG12 VAL 41 HG12 VAL 41 4.890 1.076 -2.002
131 HG13 VAL 41 HG13 VAL 41 3.445 0.070 -1.904
132 HG21 VAL 41 HG21 VAL 41 3.502 3.102 -1.590
133 HG22 VAL 41 HG22 VAL 41 2.524 3.214 -0.127
134 HG23 VAL 41 HG23 VAL 41 2.034 2.136 -1.433
135 H LEU 42 HN LEU 42 2.995 -1.782 -0.073
136 HA LEU 42 HA LEU 42 0.712 -1.719 -1.827
137 HB2 LEU 42 HB2 LEU 42 2.934 -3.542 -1.264
138 HB3 LEU 42 HB1 LEU 42 1.418 -4.367 -1.607
139 HG LEU 42 HG LEU 42 2.764 -4.114 -3.626
140 HD11 LEU 42 HD11 LEU 42 1.076 -3.103 -5.060
141 HD12 LEU 42 HD12 LEU 42 0.312 -2.362 -3.655
142 HD13 LEU 42 HD13 LEU 42 0.330 -4.117 -3.825
143 HD21 LEU 42 HD21 LEU 42 3.166 -1.892 -4.585
144 HD22 LEU 42 HD22 LEU 42 3.993 -2.104 -3.043
145 HD23 LEU 42 HD23 LEU 42 2.512 -1.151 -3.125
146 H LEU 43 HN LEU 43 1.533 -3.633 1.071
147 HA LEU 43 HA LEU 43 -0.898 -4.943 1.351
148 HB2 LEU 43 HB2 LEU 43 1.278 -4.190 3.248
149 HB3 LEU 43 HB1 LEU 43 -0.216 -4.836 3.896
150 HG LEU 43 HG LEU 43 1.458 -6.588 3.648
151 HD11 LEU 43 HD11 LEU 43 0.140 -8.184 2.349
152 HD12 LEU 43 HD12 LEU 43 -0.793 -6.854 1.663
153 HD13 LEU 43 HD13 LEU 43 -0.882 -7.194 3.390
154 HD21 LEU 43 HD21 LEU 43 2.785 -5.706 1.848
155 HD22 LEU 43 HD22 LEU 43 1.427 -5.832 0.730
156 HD23 LEU 43 HD23 LEU 43 2.173 -7.291 1.381
157 H LEU 44 HN LEU 44 -0.102 -1.645 2.038
158 HA LEU 44 HA LEU 44 -2.384 -1.222 3.761
159 HB2 LEU 44 HB2 LEU 44 -0.258 0.561 2.626
160 HB3 LEU 44 HB1 LEU 44 -1.671 1.238 3.411
161 HG LEU 44 HG LEU 44 0.298 -0.648 4.709
162 HD11 LEU 44 HD11 LEU 44 1.301 1.517 4.280
163 HD12 LEU 44 HD12 LEU 44 0.976 1.326 6.003
164 HD13 LEU 44 HD13 LEU 44 -0.086 2.326 5.010
165 HD21 LEU 44 HD21 LEU 44 -0.875 -0.061 6.783
166 HD22 LEU 44 HD22 LEU 44 -1.939 -0.874 5.635
167 HD23 LEU 44 HD23 LEU 44 -2.045 0.873 5.850
168 H THR 45 HN THR 45 -1.444 -0.254 0.467
169 HA THR 45 HA THR 45 -3.691 1.264 -0.156
170 HB THR 45 HB THR 45 -3.206 0.606 -2.560
171 HG1 THR 45 HG1 THR 45 -0.888 -0.608 -1.460
172 HG21 THR 45 HG21 THR 45 -2.266 2.619 -1.624
173 HG22 THR 45 HG22 THR 45 -1.031 1.811 -2.590
174 HG23 THR 45 HG23 THR 45 -0.988 1.699 -0.831
175 H THR 46 HN THR 46 -3.390 -2.168 0.146
176 HA THR 46 HA THR 46 -5.464 -3.020 -1.529
177 HB THR 46 HB THR 46 -4.629 -4.254 1.104
178 HG1 THR 46 HG1 THR 46 -2.864 -4.707 0.037
179 HG21 THR 46 HG21 THR 46 -6.803 -5.053 0.190
180 HG22 THR 46 HG22 THR 46 -5.563 -6.307 0.243
181 HG23 THR 46 HG23 THR 46 -5.964 -5.528 -1.288
182 H LEU 47 HN LEU 47 -5.607 -2.520 2.007
183 HA LEU 47 HA LEU 47 -8.464 -2.618 2.024
184 HB2 LEU 47 HB2 LEU 47 -6.294 -2.243 4.024
185 HB3 LEU 47 HB1 LEU 47 -7.906 -1.723 4.452
186 HG LEU 47 HG LEU 47 -8.754 -3.998 4.056
187 HD11 LEU 47 HD11 LEU 47 -5.860 -4.689 3.571
188 HD12 LEU 47 HD12 LEU 47 -7.141 -4.685 2.359
189 HD13 LEU 47 HD13 LEU 47 -7.194 -5.837 3.694
190 HD21 LEU 47 HD21 LEU 47 -8.033 -3.351 6.295
191 HD22 LEU 47 HD22 LEU 47 -6.390 -3.877 5.926
192 HD23 LEU 47 HD23 LEU 47 -7.700 -5.056 5.989
193 H PHE 48 HN PHE 48 -6.004 -0.102 2.283
194 HA PHE 48 HA PHE 48 -7.593 2.049 3.013
195 HB2 PHE 48 HB2 PHE 48 -5.141 2.133 2.957
196 HB3 PHE 48 HB1 PHE 48 -5.171 2.060 1.199
197 HD1 PHE 48 HD1 PHE 48 -5.497 3.999 -0.098
198 HD2 PHE 48 HD2 PHE 48 -6.081 4.135 4.116
199 HE1 PHE 48 HE1 PHE 48 -5.621 6.455 -0.198
200 HE2 PHE 48 HE2 PHE 48 -6.207 6.591 4.023
201 HZ PHE 48 HZ PHE 48 -5.976 7.753 1.869
202 H CYS 49 HN CYS 49 -7.237 0.510 -0.109
203 HA CYS 49 HA CYS 49 -8.567 2.640 -1.530
204 HB2 CYS 49 HB2 CYS 49 -6.884 1.310 -2.685
205 HB3 CYS 49 HB1 CYS 49 -7.815 -0.156 -2.401
206 HG CYS 49 HG CYS 49 -8.995 2.447 -4.277
207 H LEU 50 HN LEU 50 -9.415 -0.540 -0.269
208 HA LEU 50 HA LEU 50 -12.009 -0.649 -1.429
209 HB2 LEU 50 HB2 LEU 50 -10.947 -2.074 1.015
210 HB3 LEU 50 HB1 LEU 50 -12.393 -2.509 0.111
211 HG LEU 50 HG LEU 50 -9.670 -2.492 -1.174
212 HD11 LEU 50 HD11 LEU 50 -9.522 -4.878 -0.739
213 HD12 LEU 50 HD12 LEU 50 -11.017 -4.816 0.195
214 HD13 LEU 50 HD13 LEU 50 -9.579 -3.973 0.775
215 HD21 LEU 50 HD21 LEU 50 -11.560 -2.504 -2.688
216 HD22 LEU 50 HD22 LEU 50 -12.270 -3.872 -1.829
217 HD23 LEU 50 HD23 LEU 50 -10.757 -4.074 -2.713
218 H LEU 51 HN LEU 51 -10.720 0.869 1.397
219 HA LEU 51 HA LEU 51 -13.254 1.148 2.735
220 HB2 LEU 51 HB2 LEU 51 -10.575 2.443 3.227
221 HB3 LEU 51 HB1 LEU 51 -11.978 2.649 4.258
222 HG LEU 51 HG LEU 51 -10.667 -0.015 3.713
223 HD11 LEU 51 HD11 LEU 51 -9.707 0.180 5.940
224 HD12 LEU 51 HD12 LEU 51 -10.386 1.799 6.105
225 HD13 LEU 51 HD13 LEU 51 -9.140 1.483 4.898
226 HD21 LEU 51 HD21 LEU 51 -12.712 0.843 5.758
227 HD22 LEU 51 HD22 LEU 51 -11.989 -0.760 5.628
228 HD23 LEU 51 HD23 LEU 51 -13.024 -0.151 4.336
229 H HIS 52 HN HIS 52 -11.106 3.256 0.866
230 HA HIS 52 HA HIS 52 -12.844 5.524 1.114
231 HB2 HIS 52 HB2 HIS 52 -10.349 4.956 -0.457
232 HB3 HIS 52 HB1 HIS 52 -11.284 6.417 -0.752
233 HD1 HIS 52 HD1 HIS 52 -10.954 8.331 0.841
234 HD2 HIS 52 HD2 HIS 52 -9.250 4.799 2.215
235 HE1 HIS 52 HE1 HIS 52 -9.619 8.974 2.872
236 HE2 HIS 52 HE2 HIS 52 -8.548 6.831 3.651
237 H PHE 53 HN PHE 53 -12.527 2.867 -1.099
238 HA PHE 53 HA PHE 53 -14.014 4.149 -3.211
239 HB2 PHE 53 HB2 PHE 53 -12.289 2.344 -3.585
240 HB3 PHE 53 HB1 PHE 53 -13.437 1.199 -2.902
241 HD1 PHE 53 HD1 PHE 53 -15.337 0.456 -4.138
242 HD2 PHE 53 HD2 PHE 53 -12.739 3.423 -5.737
243 HE1 PHE 53 HE1 PHE 53 -16.376 0.166 -6.349
244 HE2 PHE 53 HE2 PHE 53 -13.772 3.138 -7.953
245 HZ PHE 53 HZ PHE 53 -15.587 1.518 -8.266
246 H GLY 54 HN GLY 54 -14.694 2.206 -0.428
247 HA2 GLY 54 HA2 GLY 54 -16.692 1.703 0.591
248 HA3 GLY 54 HA1 GLY 54 -17.475 2.782 -0.551
249 H VAL 55 HN VAL 55 -15.566 0.076 -1.650
250 HA VAL 55 HA VAL 55 -17.468 -0.964 -3.348
251 HB VAL 55 HB VAL 55 -15.231 -1.690 -3.611
252 HG11 VAL 55 HG11 VAL 55 -15.422 -2.717 -0.802
253 HG12 VAL 55 HG12 VAL 55 -14.350 -1.470 -1.430
254 HG13 VAL 55 HG13 VAL 55 -14.121 -3.153 -1.907
255 HG21 VAL 55 HG21 VAL 55 -15.426 -4.110 -3.711
256 HG22 VAL 55 HG22 VAL 55 -16.930 -3.349 -4.227
257 HG23 VAL 55 HG23 VAL 55 -16.807 -4.059 -2.617
258 H ILE 56 HN ILE 56 -16.883 -1.750 0.025
259 HA ILE 56 HA ILE 56 -19.564 -2.891 0.195
260 HB ILE 56 HB ILE 56 -18.249 -4.587 1.868
261 HG12 ILE 56 HG12 ILE 56 -16.432 -5.604 0.448
262 HG13 ILE 56 HG11 ILE 56 -16.510 -4.169 -0.567
263 HG21 ILE 56 HG21 ILE 56 -18.953 -5.052 -1.024
264 HG22 ILE 56 HG22 ILE 56 -20.048 -5.173 0.351
265 HG23 ILE 56 HG23 ILE 56 -18.711 -6.311 0.186
266 HD11 ILE 56 HD11 ILE 56 -15.788 -4.239 2.354
267 HD12 ILE 56 HD12 ILE 56 -15.890 -2.789 1.355
268 HD13 ILE 56 HD13 ILE 56 -14.678 -4.018 1.000
269 H GLY 57 HN GLY 57 -17.549 -0.673 1.249
270 HA2 GLY 57 HA2 GLY 57 -18.896 -0.434 3.815
271 HA3 GLY 57 HA1 GLY 57 -17.148 -0.601 3.884
272 HA PRO 58 HA PRO 58 -18.194 3.600 1.589
273 HB2 PRO 58 HB2 PRO 58 -20.834 4.174 2.783
274 HB3 PRO 58 HB1 PRO 58 -20.286 4.371 1.116
275 HG2 PRO 58 HG2 PRO 58 -21.990 2.423 1.799
276 HG3 PRO 58 HG1 PRO 58 -20.741 2.172 0.564
277 HD2 PRO 58 HD2 PRO 58 -20.780 1.293 3.427
278 HD3 PRO 58 HD1 PRO 58 -20.225 0.415 1.986
279 H GLN 59 HN GLN 59 -16.584 4.241 3.023
280 HA GLN 59 HA GLN 59 -17.489 5.347 5.594
281 HB2 GLN 59 HB2 GLN 59 -14.694 4.586 4.723
282 HB3 GLN 59 HB1 GLN 59 -15.141 5.207 6.305
283 HG2 GLN 59 HG2 GLN 59 -16.028 2.597 5.100
284 HG3 GLN 59 HG1 GLN 59 -14.831 2.810 6.375
285 HE21 GLN 59 HE21 GLN 59 -17.317 1.296 6.392
286 HE22 GLN 59 HE22 GLN 59 -18.260 1.933 7.691
287 H ARG 60 HN ARG 60 -17.431 6.506 2.742
288 HA ARG 60 HA ARG 60 -15.536 8.603 2.713
289 HB2 ARG 60 HB2 ARG 60 -18.212 8.430 1.314
290 HB3 ARG 60 HB1 ARG 60 -16.933 9.573 0.932
291 HG2 ARG 60 HG2 ARG 60 -15.467 7.730 0.293
292 HG3 ARG 60 HG1 ARG 60 -16.745 6.578 0.683
293 HD2 ARG 60 HD2 ARG 60 -16.646 7.004 -1.718
294 HD3 ARG 60 HD1 ARG 60 -18.170 7.566 -1.033
295 HE ARG 60 HE ARG 60 -16.591 9.773 -0.987
296 HH11 ARG 60 HH11 ARG 60 -17.501 7.508 -3.473
297 HH12 ARG 60 HH12 ARG 60 -17.415 8.676 -4.749
298 HH21 ARG 60 HH21 ARG 60 -16.472 11.318 -2.662
299 HH22 ARG 60 HH22 ARG 60 -16.829 10.841 -4.289
Start of MODEL 10
1 H1 ARG 28 HT1 ARG 28 26.377 5.620 -3.922
2 H2 ARG 28 HT2 ARG 28 25.805 5.206 -5.458
3 H3 ARG 28 HT3 ARG 28 27.312 4.641 -4.938
4 HA ARG 28 HA ARG 28 25.687 2.887 -4.828
5 HB2 ARG 28 HB2 ARG 28 27.482 2.891 -3.177
6 HB3 ARG 28 HB1 ARG 28 26.548 3.949 -2.129
7 HG2 ARG 28 HG2 ARG 28 26.453 1.691 -1.305
8 HG3 ARG 28 HG1 ARG 28 24.858 2.177 -1.882
9 HD2 ARG 28 HD2 ARG 28 25.307 -0.069 -2.615
10 HD3 ARG 28 HD1 ARG 28 25.322 1.004 -4.013
11 HE ARG 28 HE ARG 28 27.936 0.675 -2.972
12 HH11 ARG 28 HH11 ARG 28 25.485 -0.960 -4.833
13 HH12 ARG 28 HH12 ARG 28 26.617 -1.947 -5.697
14 HH21 ARG 28 HH21 ARG 28 29.434 -0.623 -4.102
15 HH22 ARG 28 HH22 ARG 28 28.861 -1.757 -5.280
16 H ARG 29 HN ARG 29 23.572 3.064 -5.321
17 HA ARG 29 HA ARG 29 21.795 4.663 -3.671
18 HB2 ARG 29 HB2 ARG 29 21.371 3.044 -6.181
19 HB3 ARG 29 HB1 ARG 29 20.050 3.812 -5.315
20 HG2 ARG 29 HG2 ARG 29 20.615 5.277 -7.060
21 HG3 ARG 29 HG1 ARG 29 21.300 5.990 -5.598
22 HD2 ARG 29 HD2 ARG 29 22.849 6.077 -7.514
23 HD3 ARG 29 HD1 ARG 29 23.490 5.142 -6.164
24 HE ARG 29 HE ARG 29 22.175 3.412 -7.946
25 HH11 ARG 29 HH11 ARG 29 25.040 5.383 -7.737
26 HH12 ARG 29 HH12 ARG 29 25.961 4.385 -8.811
27 HH21 ARG 29 HH21 ARG 29 23.380 2.091 -9.361
28 HH22 ARG 29 HH22 ARG 29 25.018 2.514 -9.735
29 H CYS 30 HN CYS 30 19.908 3.802 -2.652
30 HA CYS 30 HA CYS 30 20.349 1.093 -1.632
31 HB2 CYS 30 HB2 CYS 30 18.565 3.306 -0.598
32 HB3 CYS 30 HB1 CYS 30 18.786 1.737 0.167
33 HG CYS 30 HG CYS 30 21.669 2.292 0.372
34 H LEU 31 HN LEU 31 19.484 -0.182 -3.244
35 HA LEU 31 HA LEU 31 16.831 0.308 -4.266
36 HB2 LEU 31 HB2 LEU 31 18.555 -0.648 -5.709
37 HB3 LEU 31 HB1 LEU 31 18.707 -2.028 -4.640
38 HG LEU 31 HG LEU 31 16.342 -2.633 -5.174
39 HD11 LEU 31 HD11 LEU 31 15.296 -1.610 -7.130
40 HD12 LEU 31 HD12 LEU 31 16.625 -0.456 -7.241
41 HD13 LEU 31 HD13 LEU 31 15.548 -0.430 -5.844
42 HD21 LEU 31 HD21 LEU 31 16.842 -3.519 -7.394
43 HD22 LEU 31 HD22 LEU 31 18.217 -3.707 -6.307
44 HD23 LEU 31 HD23 LEU 31 18.224 -2.430 -7.523
45 H PHE 32 HN PHE 32 18.382 -2.105 -2.179
46 HA PHE 32 HA PHE 32 16.125 -3.687 -1.691
47 HB2 PHE 32 HB2 PHE 32 18.320 -4.497 -1.118
48 HB3 PHE 32 HB1 PHE 32 18.574 -3.166 0.003
49 HD1 PHE 32 HD1 PHE 32 16.572 -6.222 -0.583
50 HD2 PHE 32 HD2 PHE 32 17.884 -3.317 2.238
51 HE1 PHE 32 HE1 PHE 32 15.671 -7.598 1.249
52 HE2 PHE 32 HE2 PHE 32 16.987 -4.687 4.073
53 HZ PHE 32 HZ PHE 32 15.878 -6.830 3.579
54 H LEU 33 HN LEU 33 17.439 -0.942 0.148
55 HA LEU 33 HA LEU 33 15.547 -0.956 2.210
56 HB2 LEU 33 HB2 LEU 33 17.082 1.357 1.042
57 HB3 LEU 33 HB1 LEU 33 16.188 1.411 2.550
58 HG LEU 33 HG LEU 33 18.651 -0.224 1.953
59 HD11 LEU 33 HD11 LEU 33 18.095 2.009 3.893
60 HD12 LEU 33 HD12 LEU 33 19.073 2.113 2.429
61 HD13 LEU 33 HD13 LEU 33 19.604 1.106 3.776
62 HD21 LEU 33 HD21 LEU 33 16.895 -0.232 4.406
63 HD22 LEU 33 HD22 LEU 33 18.492 -0.974 4.301
64 HD23 LEU 33 HD23 LEU 33 17.171 -1.578 3.301
65 H SER 34 HN SER 34 15.449 0.419 -1.013
66 HA SER 34 HA SER 34 13.105 1.989 -0.598
67 HB2 SER 34 HB2 SER 34 14.682 2.498 -2.408
68 HB3 SER 34 HB1 SER 34 14.322 0.948 -3.169
69 HG SER 34 HG SER 34 12.056 2.337 -2.676
70 H LEU 35 HN LEU 35 13.732 -1.314 -1.533
71 HA LEU 35 HA LEU 35 11.041 -1.838 -2.409
72 HB2 LEU 35 HB2 LEU 35 12.995 -3.055 -3.305
73 HB3 LEU 35 HB1 LEU 35 13.265 -3.758 -1.722
74 HG LEU 35 HG LEU 35 11.097 -4.913 -1.863
75 HD11 LEU 35 HD11 LEU 35 9.904 -3.349 -3.286
76 HD12 LEU 35 HD12 LEU 35 9.891 -4.962 -4.000
77 HD13 LEU 35 HD13 LEU 35 10.979 -3.726 -4.633
78 HD21 LEU 35 HD21 LEU 35 11.732 -6.528 -3.583
79 HD22 LEU 35 HD22 LEU 35 13.123 -6.040 -2.614
80 HD23 LEU 35 HD23 LEU 35 12.900 -5.378 -4.233
81 H PHE 36 HN PHE 36 12.703 -1.762 0.579
82 HA PHE 36 HA PHE 36 11.039 -3.609 1.994
83 HB2 PHE 36 HB2 PHE 36 13.360 -3.001 2.691
84 HB3 PHE 36 HB1 PHE 36 12.773 -1.396 3.112
85 HD1 PHE 36 HD1 PHE 36 12.700 -4.954 4.001
86 HD2 PHE 36 HD2 PHE 36 11.505 -1.022 5.107
87 HE1 PHE 36 HE1 PHE 36 12.112 -5.769 6.247
88 HE2 PHE 36 HE2 PHE 36 10.915 -1.829 7.355
89 HZ PHE 36 HZ PHE 36 11.218 -4.205 7.927
90 H SER 37 HN SER 37 10.938 -0.192 1.287
91 HA SER 37 HA SER 37 8.712 0.235 3.124
92 HB2 SER 37 HB2 SER 37 10.160 2.171 1.299
93 HB3 SER 37 HB1 SER 37 8.907 2.608 2.461
94 HG SER 37 HG SER 37 10.362 1.604 4.066
95 H PHE 38 HN PHE 38 8.956 -1.117 0.224
96 HA PHE 38 HA PHE 38 6.684 0.251 -1.015
97 HB2 PHE 38 HB2 PHE 38 8.820 -0.435 -2.281
98 HB3 PHE 38 HB1 PHE 38 8.192 -2.074 -2.176
99 HD1 PHE 38 HD1 PHE 38 7.568 1.286 -3.550
100 HD2 PHE 38 HD2 PHE 38 6.436 -2.817 -3.575
101 HE1 PHE 38 HE1 PHE 38 6.202 1.679 -5.559
102 HE2 PHE 38 HE2 PHE 38 5.069 -2.431 -5.585
103 HZ PHE 38 HZ PHE 38 4.968 -0.180 -6.590
104 H LEU 39 HN LEU 39 7.452 -2.522 0.830
105 HA LEU 39 HA LEU 39 5.204 -4.101 -0.047
106 HB2 LEU 39 HB2 LEU 39 7.351 -5.076 0.783
107 HB3 LEU 39 HB1 LEU 39 6.952 -4.486 2.385
108 HG LEU 39 HG LEU 39 5.008 -6.263 0.992
109 HD11 LEU 39 HD11 LEU 39 7.513 -7.217 2.370
110 HD12 LEU 39 HD12 LEU 39 7.121 -7.405 0.661
111 HD13 LEU 39 HD13 LEU 39 6.160 -8.239 1.882
112 HD21 LEU 39 HD21 LEU 39 5.853 -5.889 3.863
113 HD22 LEU 39 HD22 LEU 39 4.627 -7.031 3.309
114 HD23 LEU 39 HD23 LEU 39 4.369 -5.297 3.115
115 H ILE 40 HN ILE 40 5.999 -1.975 2.635
116 HA ILE 40 HA ILE 40 3.610 -2.522 4.116
117 HB ILE 40 HB ILE 40 5.484 -0.162 4.338
118 HG12 ILE 40 HG12 ILE 40 5.445 -2.723 5.949
119 HG13 ILE 40 HG11 ILE 40 6.575 -2.393 4.641
120 HG21 ILE 40 HG21 ILE 40 3.330 0.262 5.377
121 HG22 ILE 40 HG22 ILE 40 4.573 0.053 6.609
122 HG23 ILE 40 HG23 ILE 40 3.440 -1.256 6.269
123 HD11 ILE 40 HD11 ILE 40 7.581 -2.005 6.821
124 HD12 ILE 40 HD12 ILE 40 6.333 -0.817 7.193
125 HD13 ILE 40 HD13 ILE 40 7.480 -0.511 5.889
126 H VAL 41 HN VAL 41 4.567 -0.254 1.641
127 HA VAL 41 HA VAL 41 2.333 1.503 1.985
128 HB VAL 41 HB VAL 41 4.561 2.128 0.947
129 HG11 VAL 41 HG11 VAL 41 3.349 0.765 -1.446
130 HG12 VAL 41 HG12 VAL 41 4.763 0.225 -0.544
131 HG13 VAL 41 HG13 VAL 41 4.818 1.741 -1.441
132 HG21 VAL 41 HG21 VAL 41 2.021 2.784 -0.545
133 HG22 VAL 41 HG22 VAL 41 3.530 3.688 -0.662
134 HG23 VAL 41 HG23 VAL 41 2.657 3.626 0.869
135 H LEU 42 HN LEU 42 2.901 -1.454 0.308
136 HA LEU 42 HA LEU 42 0.715 -1.141 -1.547
137 HB2 LEU 42 HB2 LEU 42 2.911 -2.574 -1.747
138 HB3 LEU 42 HB1 LEU 42 1.962 -3.783 -0.895
139 HG LEU 42 HG LEU 42 1.934 -4.141 -3.320
140 HD11 LEU 42 HD11 LEU 42 0.001 -4.830 -1.984
141 HD12 LEU 42 HD12 LEU 42 -0.461 -4.359 -3.619
142 HD13 LEU 42 HD13 LEU 42 -0.750 -3.261 -2.271
143 HD21 LEU 42 HD21 LEU 42 2.200 -1.819 -4.030
144 HD22 LEU 42 HD22 LEU 42 0.569 -1.456 -3.463
145 HD23 LEU 42 HD23 LEU 42 0.808 -2.574 -4.805
146 H LEU 43 HN LEU 43 1.352 -3.210 1.289
147 HA LEU 43 HA LEU 43 -1.096 -4.501 1.413
148 HB2 LEU 43 HB2 LEU 43 0.699 -3.638 3.681
149 HB3 LEU 43 HB1 LEU 43 -0.638 -4.760 3.848
150 HG LEU 43 HG LEU 43 1.819 -5.210 2.149
151 HD11 LEU 43 HD11 LEU 43 0.982 -6.405 4.787
152 HD12 LEU 43 HD12 LEU 43 2.329 -5.299 4.519
153 HD13 LEU 43 HD13 LEU 43 2.366 -6.918 3.821
154 HD21 LEU 43 HD21 LEU 43 -0.517 -7.015 2.772
155 HD22 LEU 43 HD22 LEU 43 0.950 -7.496 1.921
156 HD23 LEU 43 HD23 LEU 43 -0.133 -6.303 1.205
157 H LEU 44 HN LEU 44 -0.222 -1.281 2.509
158 HA LEU 44 HA LEU 44 -2.650 -0.843 3.959
159 HB2 LEU 44 HB2 LEU 44 -0.485 1.004 2.980
160 HB3 LEU 44 HB1 LEU 44 -1.904 1.589 3.826
161 HG LEU 44 HG LEU 44 0.131 -0.341 4.951
162 HD11 LEU 44 HD11 LEU 44 0.728 1.540 6.419
163 HD12 LEU 44 HD12 LEU 44 -0.369 2.579 5.508
164 HD13 LEU 44 HD13 LEU 44 1.048 1.887 4.719
165 HD21 LEU 44 HD21 LEU 44 -2.090 -0.741 5.858
166 HD22 LEU 44 HD22 LEU 44 -2.266 0.975 6.227
167 HD23 LEU 44 HD23 LEU 44 -1.054 0.012 7.071
168 H THR 45 HN THR 45 -1.433 0.275 0.802
169 HA THR 45 HA THR 45 -3.695 1.750 0.071
170 HB THR 45 HB THR 45 -2.915 1.273 -2.321
171 HG1 THR 45 HG1 THR 45 -0.547 0.524 -2.075
172 HG21 THR 45 HG21 THR 45 -0.973 2.465 -0.339
173 HG22 THR 45 HG22 THR 45 -2.319 3.305 -1.109
174 HG23 THR 45 HG23 THR 45 -0.961 2.739 -2.081
175 H THR 46 HN THR 46 -3.189 -1.664 0.159
176 HA THR 46 HA THR 46 -5.081 -2.460 -1.777
177 HB THR 46 HB THR 46 -4.222 -3.952 0.711
178 HG1 THR 46 HG1 THR 46 -3.250 -4.393 -1.909
179 HG21 THR 46 HG21 THR 46 -6.285 -4.844 -0.294
180 HG22 THR 46 HG22 THR 46 -4.930 -5.956 -0.494
181 HG23 THR 46 HG23 THR 46 -5.466 -4.966 -1.851
182 H LEU 47 HN LEU 47 -5.399 -2.396 1.785
183 HA LEU 47 HA LEU 47 -8.226 -2.785 1.663
184 HB2 LEU 47 HB2 LEU 47 -6.180 -2.402 3.783
185 HB3 LEU 47 HB1 LEU 47 -7.848 -2.076 4.191
186 HG LEU 47 HG LEU 47 -8.458 -4.369 3.522
187 HD11 LEU 47 HD11 LEU 47 -6.687 -6.008 3.098
188 HD12 LEU 47 HD12 LEU 47 -5.491 -4.712 3.113
189 HD13 LEU 47 HD13 LEU 47 -6.732 -4.753 1.861
190 HD21 LEU 47 HD21 LEU 47 -7.375 -5.520 5.398
191 HD22 LEU 47 HD22 LEU 47 -7.931 -3.908 5.848
192 HD23 LEU 47 HD23 LEU 47 -6.220 -4.195 5.536
193 H PHE 48 HN PHE 48 -6.093 -0.045 2.349
194 HA PHE 48 HA PHE 48 -7.995 1.812 3.156
195 HB2 PHE 48 HB2 PHE 48 -5.636 2.267 3.392
196 HB3 PHE 48 HB1 PHE 48 -5.407 2.226 1.648
197 HD1 PHE 48 HD1 PHE 48 -5.634 4.168 0.372
198 HD2 PHE 48 HD2 PHE 48 -7.098 4.094 4.367
199 HE1 PHE 48 HE1 PHE 48 -6.032 6.594 0.266
200 HE2 PHE 48 HE2 PHE 48 -7.501 6.519 4.268
201 HZ PHE 48 HZ PHE 48 -6.960 7.774 2.212
202 H CYS 49 HN CYS 49 -7.202 0.674 -0.051
203 HA CYS 49 HA CYS 49 -8.624 2.787 -1.395
204 HB2 CYS 49 HB2 CYS 49 -6.742 1.720 -2.511
205 HB3 CYS 49 HB1 CYS 49 -7.544 0.155 -2.421
206 HG CYS 49 HG CYS 49 -9.475 0.678 -4.266
207 H LEU 50 HN LEU 50 -9.226 -0.608 -0.606
208 HA LEU 50 HA LEU 50 -11.716 -0.807 -1.933
209 HB2 LEU 50 HB2 LEU 50 -10.686 -2.383 0.430
210 HB3 LEU 50 HB1 LEU 50 -12.033 -2.842 -0.607
211 HG LEU 50 HG LEU 50 -9.227 -2.483 -1.651
212 HD11 LEU 50 HD11 LEU 50 -8.976 -4.897 -1.525
213 HD12 LEU 50 HD12 LEU 50 -10.550 -5.034 -0.739
214 HD13 LEU 50 HD13 LEU 50 -9.223 -4.212 0.082
215 HD21 LEU 50 HD21 LEU 50 -10.053 -3.838 -3.504
216 HD22 LEU 50 HD22 LEU 50 -11.019 -2.376 -3.306
217 HD23 LEU 50 HD23 LEU 50 -11.641 -3.927 -2.741
218 H LEU 51 HN LEU 51 -10.773 0.425 1.174
219 HA LEU 51 HA LEU 51 -13.437 0.422 2.268
220 HB2 LEU 51 HB2 LEU 51 -10.878 1.720 3.201
221 HB3 LEU 51 HB1 LEU 51 -12.386 1.768 4.095
222 HG LEU 51 HG LEU 51 -10.890 -0.760 3.394
223 HD11 LEU 51 HD11 LEU 51 -10.302 -0.829 5.768
224 HD12 LEU 51 HD12 LEU 51 -11.049 0.752 5.997
225 HD13 LEU 51 HD13 LEU 51 -9.625 0.590 4.970
226 HD21 LEU 51 HD21 LEU 51 -13.273 -0.264 5.175
227 HD22 LEU 51 HD22 LEU 51 -12.417 -1.798 5.016
228 HD23 LEU 51 HD23 LEU 51 -13.278 -1.120 3.633
229 H HIS 52 HN HIS 52 -11.228 2.829 0.902
230 HA HIS 52 HA HIS 52 -12.804 5.098 1.367
231 HB2 HIS 52 HB2 HIS 52 -10.437 5.204 0.703
232 HB3 HIS 52 HB1 HIS 52 -10.857 4.593 -0.893
233 HD1 HIS 52 HD1 HIS 52 -12.015 6.232 -2.525
234 HD2 HIS 52 HD2 HIS 52 -11.019 7.907 1.145
235 HE1 HIS 52 HE1 HIS 52 -12.266 8.715 -2.829
236 HE2 HIS 52 HE2 HIS 52 -11.696 9.708 -0.584
237 H PHE 53 HN PHE 53 -12.694 2.894 -1.414
238 HA PHE 53 HA PHE 53 -14.765 4.358 -2.798
239 HB2 PHE 53 HB2 PHE 53 -13.274 1.811 -3.406
240 HB3 PHE 53 HB1 PHE 53 -14.610 2.375 -4.404
241 HD1 PHE 53 HD1 PHE 53 -14.178 3.793 -6.172
242 HD2 PHE 53 HD2 PHE 53 -11.363 3.527 -2.994
243 HE1 PHE 53 HE1 PHE 53 -12.630 5.233 -7.430
244 HE2 PHE 53 HE2 PHE 53 -9.809 4.967 -4.245
245 HZ PHE 53 HZ PHE 53 -10.448 5.825 -6.471
246 H GLY 54 HN GLY 54 -14.568 1.685 -0.613
247 HA2 GLY 54 HA2 GLY 54 -16.225 0.482 0.436
248 HA3 GLY 54 HA1 GLY 54 -17.382 1.619 -0.240
249 H VAL 55 HN VAL 55 -15.220 -0.183 -2.282
250 HA VAL 55 HA VAL 55 -17.126 -1.125 -4.019
251 HB VAL 55 HB VAL 55 -14.853 -1.202 -4.683
252 HG11 VAL 55 HG11 VAL 55 -13.199 -2.692 -3.646
253 HG12 VAL 55 HG12 VAL 55 -14.388 -3.119 -2.419
254 HG13 VAL 55 HG13 VAL 55 -13.800 -1.463 -2.533
255 HG21 VAL 55 HG21 VAL 55 -15.799 -4.045 -4.367
256 HG22 VAL 55 HG22 VAL 55 -14.598 -3.471 -5.523
257 HG23 VAL 55 HG23 VAL 55 -16.275 -2.942 -5.656
258 H ILE 56 HN ILE 56 -15.839 -2.753 -1.158
259 HA ILE 56 HA ILE 56 -18.229 -4.378 -1.028
260 HB ILE 56 HB ILE 56 -16.612 -6.440 -0.600
261 HG12 ILE 56 HG12 ILE 56 -14.771 -6.478 -2.213
262 HG13 ILE 56 HG11 ILE 56 -15.147 -4.835 -2.712
263 HG21 ILE 56 HG21 ILE 56 -17.462 -5.508 -3.328
264 HG22 ILE 56 HG22 ILE 56 -18.475 -6.355 -2.160
265 HG23 ILE 56 HG23 ILE 56 -17.078 -7.166 -2.866
266 HD11 ILE 56 HD11 ILE 56 -14.022 -5.742 -0.078
267 HD12 ILE 56 HD12 ILE 56 -14.598 -4.103 -0.386
268 HD13 ILE 56 HD13 ILE 56 -13.244 -4.749 -1.311
269 H GLY 57 HN GLY 57 -15.874 -5.906 0.764
270 HA2 GLY 57 HA2 GLY 57 -15.011 -5.394 2.927
271 HA3 GLY 57 HA1 GLY 57 -16.232 -4.139 3.076
272 HA PRO 58 HA PRO 58 -18.526 -8.385 3.748
273 HB2 PRO 58 HB2 PRO 58 -16.886 -10.481 4.364
274 HB3 PRO 58 HB1 PRO 58 -17.487 -10.150 2.736
275 HG2 PRO 58 HG2 PRO 58 -14.836 -9.480 3.952
276 HG3 PRO 58 HG1 PRO 58 -15.201 -10.102 2.331
277 HD2 PRO 58 HD2 PRO 58 -14.653 -7.502 2.770
278 HD3 PRO 58 HD1 PRO 58 -15.817 -8.022 1.533
279 H GLN 59 HN GLN 59 -15.551 -9.077 5.532
280 HA GLN 59 HA GLN 59 -16.391 -7.757 7.916
281 HB2 GLN 59 HB2 GLN 59 -16.691 -9.791 9.296
282 HB3 GLN 59 HB1 GLN 59 -17.931 -9.621 8.061
283 HG2 GLN 59 HG2 GLN 59 -16.663 -11.221 6.649
284 HG3 GLN 59 HG1 GLN 59 -15.553 -11.462 7.997
285 HE21 GLN 59 HE21 GLN 59 -16.253 -12.567 9.822
286 HE22 GLN 59 HE22 GLN 59 -17.688 -13.529 9.823
287 H ARG 60 HN ARG 60 -14.050 -7.974 6.199
288 HA ARG 60 HA ARG 60 -12.108 -9.035 8.147
289 HB2 ARG 60 HB2 ARG 60 -12.162 -10.208 5.935
290 HB3 ARG 60 HB1 ARG 60 -11.691 -8.696 5.172
291 HG2 ARG 60 HG2 ARG 60 -9.756 -10.084 5.429
292 HG3 ARG 60 HG1 ARG 60 -9.619 -8.707 6.524
293 HD2 ARG 60 HD2 ARG 60 -8.944 -10.808 7.599
294 HD3 ARG 60 HD1 ARG 60 -10.344 -10.082 8.387
295 HE ARG 60 HE ARG 60 -11.119 -11.979 6.412
296 HH11 ARG 60 HH11 ARG 60 -9.917 -11.684 9.670
297 HH12 ARG 60 HH12 ARG 60 -10.590 -13.191 10.192
298 HH21 ARG 60 HH21 ARG 60 -12.011 -13.963 7.092
299 HH22 ARG 60 HH22 ARG 60 -11.780 -14.487 8.727
Start of MODEL 11
1 H1 ARG 28 HT1 ARG 28 20.880 9.798 -4.730
2 H2 ARG 28 HT2 ARG 28 19.550 8.930 -4.149
3 H3 ARG 28 HT3 ARG 28 20.900 8.106 -4.748
4 HA ARG 28 HA ARG 28 22.261 8.968 -2.958
5 HB2 ARG 28 HB2 ARG 28 19.653 10.120 -1.948
6 HB3 ARG 28 HB1 ARG 28 21.191 10.156 -1.097
7 HG2 ARG 28 HG2 ARG 28 22.135 11.529 -2.906
8 HG3 ARG 28 HG1 ARG 28 20.558 11.532 -3.700
9 HD2 ARG 28 HD2 ARG 28 19.585 12.601 -1.709
10 HD3 ARG 28 HD1 ARG 28 21.183 12.641 -0.967
11 HE ARG 28 HE ARG 28 21.135 13.918 -3.522
12 HH11 ARG 28 HH11 ARG 28 20.409 14.351 -0.142
13 HH12 ARG 28 HH12 ARG 28 20.582 16.073 -0.193
14 HH21 ARG 28 HH21 ARG 28 21.366 16.185 -3.599
15 HH22 ARG 28 HH22 ARG 28 21.127 17.116 -2.159
16 H ARG 29 HN ARG 29 18.975 7.708 -2.904
17 HA ARG 29 HA ARG 29 19.681 5.852 -0.755
18 HB2 ARG 29 HB2 ARG 29 17.059 6.607 -2.037
19 HB3 ARG 29 HB1 ARG 29 17.206 5.243 -0.938
20 HG2 ARG 29 HG2 ARG 29 16.428 7.051 0.351
21 HG3 ARG 29 HG1 ARG 29 18.134 6.860 0.759
22 HD2 ARG 29 HD2 ARG 29 17.558 9.211 0.472
23 HD3 ARG 29 HD1 ARG 29 18.705 8.687 -0.758
24 HE ARG 29 HE ARG 29 16.156 8.389 -1.824
25 HH11 ARG 29 HH11 ARG 29 18.222 10.960 -0.700
26 HH12 ARG 29 HH12 ARG 29 17.546 12.144 -1.767
27 HH21 ARG 29 HH21 ARG 29 15.259 9.939 -3.232
28 HH22 ARG 29 HH22 ARG 29 15.861 11.563 -3.210
29 H CYS 30 HN CYS 30 19.133 3.574 -0.970
30 HA CYS 30 HA CYS 30 19.887 2.578 -3.594
31 HB2 CYS 30 HB2 CYS 30 19.469 1.117 -0.977
32 HB3 CYS 30 HB1 CYS 30 20.100 0.398 -2.455
33 HG CYS 30 HG CYS 30 22.125 2.735 -2.192
34 H LEU 31 HN LEU 31 18.622 1.415 -4.941
35 HA LEU 31 HA LEU 31 15.806 1.634 -4.702
36 HB2 LEU 31 HB2 LEU 31 17.097 1.592 -6.844
37 HB3 LEU 31 HB1 LEU 31 17.375 -0.120 -6.591
38 HG LEU 31 HG LEU 31 14.864 -0.422 -6.598
39 HD11 LEU 31 HD11 LEU 31 13.530 1.333 -7.636
40 HD12 LEU 31 HD12 LEU 31 14.942 2.391 -7.682
41 HD13 LEU 31 HD13 LEU 31 14.258 1.899 -6.132
42 HD21 LEU 31 HD21 LEU 31 14.708 -0.328 -9.039
43 HD22 LEU 31 HD22 LEU 31 16.249 -1.006 -8.513
44 HD23 LEU 31 HD23 LEU 31 16.169 0.658 -9.094
45 H PHE 32 HN PHE 32 18.034 -0.660 -3.528
46 HA PHE 32 HA PHE 32 16.180 -2.877 -3.471
47 HB2 PHE 32 HB2 PHE 32 18.888 -2.559 -2.158
48 HB3 PHE 32 HB1 PHE 32 17.970 -4.057 -2.262
49 HD1 PHE 32 HD1 PHE 32 17.557 -5.080 -4.504
50 HD2 PHE 32 HD2 PHE 32 20.243 -1.829 -3.936
51 HE1 PHE 32 HE1 PHE 32 18.613 -5.581 -6.668
52 HE2 PHE 32 HE2 PHE 32 21.304 -2.324 -6.101
53 HZ PHE 32 HZ PHE 32 20.493 -4.195 -7.470
54 H LEU 33 HN LEU 33 17.070 -0.245 -1.436
55 HA LEU 33 HA LEU 33 15.967 -1.444 0.965
56 HB2 LEU 33 HB2 LEU 33 17.389 1.075 0.320
57 HB3 LEU 33 HB1 LEU 33 16.408 1.011 1.772
58 HG LEU 33 HG LEU 33 18.708 0.502 2.287
59 HD11 LEU 33 HD11 LEU 33 16.984 -1.949 2.470
60 HD12 LEU 33 HD12 LEU 33 16.986 -0.597 3.602
61 HD13 LEU 33 HD13 LEU 33 18.417 -1.615 3.441
62 HD21 LEU 33 HD21 LEU 33 18.440 -1.809 0.382
63 HD22 LEU 33 HD22 LEU 33 19.833 -1.468 1.408
64 HD23 LEU 33 HD23 LEU 33 19.402 -0.356 0.109
65 H SER 34 HN SER 34 15.284 1.396 -1.066
66 HA SER 34 HA SER 34 12.957 2.238 0.196
67 HB2 SER 34 HB2 SER 34 13.646 2.419 -2.748
68 HB3 SER 34 HB1 SER 34 12.409 3.370 -1.928
69 HG SER 34 HG SER 34 14.833 4.090 -2.225
70 H LEU 35 HN LEU 35 13.493 -0.441 -1.937
71 HA LEU 35 HA LEU 35 10.815 -0.858 -2.759
72 HB2 LEU 35 HB2 LEU 35 13.094 -1.881 -3.599
73 HB3 LEU 35 HB1 LEU 35 12.744 -3.120 -2.412
74 HG LEU 35 HG LEU 35 12.043 -3.745 -4.696
75 HD11 LEU 35 HD11 LEU 35 10.903 -4.648 -2.687
76 HD12 LEU 35 HD12 LEU 35 9.885 -4.603 -4.126
77 HD13 LEU 35 HD13 LEU 35 9.682 -3.388 -2.865
78 HD21 LEU 35 HD21 LEU 35 11.457 -1.516 -5.510
79 HD22 LEU 35 HD22 LEU 35 10.072 -1.481 -4.419
80 HD23 LEU 35 HD23 LEU 35 10.130 -2.656 -5.733
81 H PHE 36 HN PHE 36 12.691 -1.865 0.038
82 HA PHE 36 HA PHE 36 10.957 -3.800 1.074
83 HB2 PHE 36 HB2 PHE 36 13.222 -3.462 1.939
84 HB3 PHE 36 HB1 PHE 36 12.763 -1.880 2.562
85 HD1 PHE 36 HD1 PHE 36 12.098 -5.507 2.900
86 HD2 PHE 36 HD2 PHE 36 11.801 -1.653 4.679
87 HE1 PHE 36 HE1 PHE 36 11.420 -6.546 5.026
88 HE2 PHE 36 HE2 PHE 36 11.123 -2.683 6.808
89 HZ PHE 36 HZ PHE 36 10.927 -5.134 6.981
90 H SER 37 HN SER 37 10.825 -0.316 1.151
91 HA SER 37 HA SER 37 8.698 -0.249 3.113
92 HB2 SER 37 HB2 SER 37 9.874 1.957 1.405
93 HB3 SER 37 HB1 SER 37 8.724 2.190 2.720
94 HG SER 37 HG SER 37 10.920 0.722 3.438
95 H PHE 38 HN PHE 38 8.992 -0.566 -0.273
96 HA PHE 38 HA PHE 38 6.479 0.588 -0.997
97 HB2 PHE 38 HB2 PHE 38 8.589 0.059 -2.471
98 HB3 PHE 38 HB1 PHE 38 7.820 -1.514 -2.647
99 HD1 PHE 38 HD1 PHE 38 7.621 2.036 -3.460
100 HD2 PHE 38 HD2 PHE 38 5.741 -1.759 -3.864
101 HE1 PHE 38 HE1 PHE 38 6.199 2.937 -5.254
102 HE2 PHE 38 HE2 PHE 38 4.315 -0.866 -5.659
103 HZ PHE 38 HZ PHE 38 4.544 1.484 -6.357
104 H LEU 39 HN LEU 39 7.419 -2.356 0.438
105 HA LEU 39 HA LEU 39 5.124 -3.853 -0.494
106 HB2 LEU 39 HB2 LEU 39 7.333 -4.912 0.036
107 HB3 LEU 39 HB1 LEU 39 7.046 -4.554 1.728
108 HG LEU 39 HG LEU 39 5.003 -6.128 0.236
109 HD11 LEU 39 HD11 LEU 39 7.563 -7.287 1.327
110 HD12 LEU 39 HD12 LEU 39 7.128 -7.172 -0.378
111 HD13 LEU 39 HD13 LEU 39 6.189 -8.201 0.704
112 HD21 LEU 39 HD21 LEU 39 4.746 -7.200 2.431
113 HD22 LEU 39 HD22 LEU 39 4.541 -5.451 2.523
114 HD23 LEU 39 HD23 LEU 39 6.047 -6.192 3.065
115 H ILE 40 HN ILE 40 6.174 -2.188 2.427
116 HA ILE 40 HA ILE 40 3.999 -2.918 4.070
117 HB ILE 40 HB ILE 40 5.645 -0.387 4.219
118 HG12 ILE 40 HG12 ILE 40 6.108 -3.031 5.617
119 HG13 ILE 40 HG11 ILE 40 6.997 -2.493 4.195
120 HG21 ILE 40 HG21 ILE 40 3.626 -0.283 5.563
121 HG22 ILE 40 HG22 ILE 40 5.044 -0.429 6.602
122 HG23 ILE 40 HG23 ILE 40 4.019 -1.833 6.308
123 HD11 ILE 40 HD11 ILE 40 8.261 -2.122 6.239
124 HD12 ILE 40 HD12 ILE 40 6.960 -1.112 6.869
125 HD13 ILE 40 HD13 ILE 40 7.867 -0.597 5.448
126 H VAL 41 HN VAL 41 4.493 -0.338 1.738
127 HA VAL 41 HA VAL 41 2.141 1.122 2.414
128 HB VAL 41 HB VAL 41 4.158 2.034 1.168
129 HG11 VAL 41 HG11 VAL 41 4.371 0.272 -0.476
130 HG12 VAL 41 HG12 VAL 41 4.127 1.829 -1.265
131 HG13 VAL 41 HG13 VAL 41 2.795 0.681 -1.147
132 HG21 VAL 41 HG21 VAL 41 1.400 2.512 0.040
133 HG22 VAL 41 HG22 VAL 41 2.789 3.575 -0.185
134 HG23 VAL 41 HG23 VAL 41 2.124 3.324 1.429
135 H LEU 42 HN LEU 42 2.821 -1.633 0.444
136 HA LEU 42 HA LEU 42 0.516 -1.509 -1.215
137 HB2 LEU 42 HB2 LEU 42 2.503 -3.633 -0.507
138 HB3 LEU 42 HB1 LEU 42 1.032 -4.075 -1.367
139 HG LEU 42 HG LEU 42 3.019 -2.020 -2.346
140 HD11 LEU 42 HD11 LEU 42 2.665 -4.908 -3.138
141 HD12 LEU 42 HD12 LEU 42 4.057 -4.209 -2.307
142 HD13 LEU 42 HD13 LEU 42 3.692 -3.738 -3.967
143 HD21 LEU 42 HD21 LEU 42 1.810 -2.295 -4.474
144 HD22 LEU 42 HD22 LEU 42 0.781 -1.655 -3.193
145 HD23 LEU 42 HD23 LEU 42 0.654 -3.350 -3.662
146 H LEU 43 HN LEU 43 1.271 -3.496 1.651
147 HA LEU 43 HA LEU 43 -1.175 -4.767 1.912
148 HB2 LEU 43 HB2 LEU 43 0.943 -3.978 3.872
149 HB3 LEU 43 HB1 LEU 43 -0.559 -4.666 4.458
150 HG LEU 43 HG LEU 43 1.179 -6.368 4.261
151 HD11 LEU 43 HD11 LEU 43 -0.059 -7.999 2.945
152 HD12 LEU 43 HD12 LEU 43 -0.994 -6.704 2.201
153 HD13 LEU 43 HD13 LEU 43 -1.148 -7.022 3.929
154 HD21 LEU 43 HD21 LEU 43 2.494 -5.383 2.472
155 HD22 LEU 43 HD22 LEU 43 1.183 -5.668 1.328
156 HD23 LEU 43 HD23 LEU 43 2.028 -7.033 2.060
157 H LEU 44 HN LEU 44 -0.243 -1.523 2.843
158 HA LEU 44 HA LEU 44 -2.595 -1.003 4.393
159 HB2 LEU 44 HB2 LEU 44 -0.486 0.799 3.217
160 HB3 LEU 44 HB1 LEU 44 -1.840 1.403 4.152
161 HG LEU 44 HG LEU 44 0.300 -0.476 5.163
162 HD11 LEU 44 HD11 LEU 44 0.951 1.443 6.556
163 HD12 LEU 44 HD12 LEU 44 -0.239 2.438 5.715
164 HD13 LEU 44 HD13 LEU 44 1.136 1.773 4.833
165 HD21 LEU 44 HD21 LEU 44 -1.841 -0.916 6.231
166 HD22 LEU 44 HD22 LEU 44 -2.034 0.800 6.587
167 HD23 LEU 44 HD23 LEU 44 -0.742 -0.120 7.357
168 H THR 45 HN THR 45 -1.488 0.095 1.191
169 HA THR 45 HA THR 45 -3.762 1.531 0.480
170 HB THR 45 HB THR 45 -3.057 1.089 -1.900
171 HG1 THR 45 HG1 THR 45 -1.123 -0.487 -0.536
172 HG21 THR 45 HG21 THR 45 -0.918 2.321 -1.687
173 HG22 THR 45 HG22 THR 45 -0.964 2.044 0.055
174 HG23 THR 45 HG23 THR 45 -2.212 3.022 -0.717
175 H THR 46 HN THR 46 -3.274 -1.888 0.625
176 HA THR 46 HA THR 46 -5.185 -2.745 -1.240
177 HB THR 46 HB THR 46 -4.376 -4.109 1.336
178 HG1 THR 46 HG1 THR 46 -3.369 -5.061 -1.032
179 HG21 THR 46 HG21 THR 46 -5.123 -6.164 0.232
180 HG22 THR 46 HG22 THR 46 -5.653 -5.227 -1.164
181 HG23 THR 46 HG23 THR 46 -6.453 -5.015 0.394
182 H LEU 47 HN LEU 47 -5.543 -2.501 2.306
183 HA LEU 47 HA LEU 47 -8.408 -2.757 2.099
184 HB2 LEU 47 HB2 LEU 47 -6.574 -2.270 4.443
185 HB3 LEU 47 HB1 LEU 47 -8.315 -2.400 4.592
186 HG LEU 47 HG LEU 47 -7.337 -4.499 5.214
187 HD11 LEU 47 HD11 LEU 47 -8.433 -6.016 3.676
188 HD12 LEU 47 HD12 LEU 47 -8.518 -4.748 2.453
189 HD13 LEU 47 HD13 LEU 47 -9.434 -4.590 3.951
190 HD21 LEU 47 HD21 LEU 47 -5.935 -5.805 3.722
191 HD22 LEU 47 HD22 LEU 47 -5.197 -4.237 4.048
192 HD23 LEU 47 HD23 LEU 47 -6.006 -4.528 2.509
193 H PHE 48 HN PHE 48 -6.107 -0.173 2.368
194 HA PHE 48 HA PHE 48 -7.906 1.803 3.346
195 HB2 PHE 48 HB2 PHE 48 -5.474 2.035 3.573
196 HB3 PHE 48 HB1 PHE 48 -5.310 2.139 1.824
197 HD1 PHE 48 HD1 PHE 48 -5.312 4.212 0.801
198 HD2 PHE 48 HD2 PHE 48 -6.992 3.814 4.691
199 HE1 PHE 48 HE1 PHE 48 -5.602 6.653 0.920
200 HE2 PHE 48 HE2 PHE 48 -7.286 6.254 4.818
201 HZ PHE 48 HZ PHE 48 -6.577 7.679 2.934
202 H CYS 49 HN CYS 49 -7.135 0.577 0.169
203 HA CYS 49 HA CYS 49 -8.440 2.746 -1.219
204 HB2 CYS 49 HB2 CYS 49 -7.244 0.127 -2.097
205 HB3 CYS 49 HB1 CYS 49 -8.165 1.132 -3.210
206 HG CYS 49 HG CYS 49 -5.903 2.133 -3.984
207 H LEU 50 HN LEU 50 -9.155 -0.667 -0.552
208 HA LEU 50 HA LEU 50 -11.585 -0.852 -1.893
209 HB2 LEU 50 HB2 LEU 50 -10.766 -2.224 0.674
210 HB3 LEU 50 HB1 LEU 50 -12.091 -2.722 -0.374
211 HG LEU 50 HG LEU 50 -9.237 -2.607 -1.333
212 HD11 LEU 50 HD11 LEU 50 -9.055 -4.969 -0.889
213 HD12 LEU 50 HD12 LEU 50 -10.689 -5.004 -0.224
214 HD13 LEU 50 HD13 LEU 50 -9.415 -4.116 0.613
215 HD21 LEU 50 HD21 LEU 50 -10.060 -4.135 -3.045
216 HD22 LEU 50 HD22 LEU 50 -10.975 -2.627 -3.052
217 HD23 LEU 50 HD23 LEU 50 -11.671 -4.079 -2.331
218 H LEU 51 HN LEU 51 -10.828 0.471 1.268
219 HA LEU 51 HA LEU 51 -13.591 0.795 2.020
220 HB2 LEU 51 HB2 LEU 51 -11.032 1.835 3.234
221 HB3 LEU 51 HB1 LEU 51 -12.621 2.108 3.922
222 HG LEU 51 HG LEU 51 -11.368 -0.609 3.514
223 HD11 LEU 51 HD11 LEU 51 -11.676 1.057 6.007
224 HD12 LEU 51 HD12 LEU 51 -10.163 0.640 5.204
225 HD13 LEU 51 HD13 LEU 51 -11.135 -0.621 5.960
226 HD21 LEU 51 HD21 LEU 51 -13.882 0.234 4.952
227 HD22 LEU 51 HD22 LEU 51 -13.212 -1.397 4.917
228 HD23 LEU 51 HD23 LEU 51 -13.803 -0.656 3.431
229 H HIS 52 HN HIS 52 -11.185 2.642 0.356
230 HA HIS 52 HA HIS 52 -12.426 5.197 0.722
231 HB2 HIS 52 HB2 HIS 52 -10.042 5.048 0.252
232 HB3 HIS 52 HB1 HIS 52 -10.368 4.259 -1.287
233 HD1 HIS 52 HD1 HIS 52 -10.453 5.762 -3.253
234 HD2 HIS 52 HD2 HIS 52 -11.139 7.810 0.298
235 HE1 HIS 52 HE1 HIS 52 -10.609 8.188 -3.894
236 HE2 HIS 52 HE2 HIS 52 -11.001 9.411 -1.727
237 H PHE 53 HN PHE 53 -12.069 3.125 -2.166
238 HA PHE 53 HA PHE 53 -13.941 4.578 -3.706
239 HB2 PHE 53 HB2 PHE 53 -12.866 1.770 -4.009
240 HB3 PHE 53 HB1 PHE 53 -13.898 2.556 -5.200
241 HD1 PHE 53 HD1 PHE 53 -10.565 2.391 -3.750
242 HD2 PHE 53 HD2 PHE 53 -13.071 4.431 -6.519
243 HE1 PHE 53 HE1 PHE 53 -8.580 3.408 -4.791
244 HE2 PHE 53 HE2 PHE 53 -11.092 5.452 -7.565
245 HZ PHE 53 HZ PHE 53 -8.844 4.941 -6.701
246 H GLY 54 HN GLY 54 -14.257 2.078 -1.346
247 HA2 GLY 54 HA2 GLY 54 -16.144 1.268 -0.303
248 HA3 GLY 54 HA1 GLY 54 -17.099 2.379 -1.272
249 H VAL 55 HN VAL 55 -14.947 0.146 -2.836
250 HA VAL 55 HA VAL 55 -16.901 -0.933 -4.495
251 HB VAL 55 HB VAL 55 -14.597 -1.097 -5.131
252 HG11 VAL 55 HG11 VAL 55 -14.228 -2.858 -2.718
253 HG12 VAL 55 HG12 VAL 55 -13.564 -1.243 -2.956
254 HG13 VAL 55 HG13 VAL 55 -13.016 -2.581 -3.966
255 HG21 VAL 55 HG21 VAL 55 -14.430 -3.471 -5.744
256 HG22 VAL 55 HG22 VAL 55 -16.048 -2.826 -6.022
257 HG23 VAL 55 HG23 VAL 55 -15.733 -3.842 -4.617
258 H ILE 56 HN ILE 56 -15.567 -2.188 -1.478
259 HA ILE 56 HA ILE 56 -17.985 -3.594 -0.883
260 HB ILE 56 HB ILE 56 -16.421 -5.757 -0.495
261 HG12 ILE 56 HG12 ILE 56 -15.282 -6.131 -2.755
262 HG13 ILE 56 HG11 ILE 56 -15.398 -4.391 -2.983
263 HG21 ILE 56 HG21 ILE 56 -17.957 -5.156 -3.015
264 HG22 ILE 56 HG22 ILE 56 -18.652 -5.704 -1.490
265 HG23 ILE 56 HG23 ILE 56 -17.561 -6.758 -2.391
266 HD11 ILE 56 HD11 ILE 56 -13.954 -5.770 -0.735
267 HD12 ILE 56 HD12 ILE 56 -14.044 -4.030 -1.002
268 HD13 ILE 56 HD13 ILE 56 -13.209 -5.057 -2.166
269 H GLY 57 HN GLY 57 -17.947 -2.358 0.977
270 HA2 GLY 57 HA2 GLY 57 -16.089 -3.327 3.025
271 HA3 GLY 57 HA1 GLY 57 -16.181 -1.595 2.749
272 HA PRO 58 HA PRO 58 -19.548 -1.168 5.551
273 HB2 PRO 58 HB2 PRO 58 -21.127 0.286 3.515
274 HB3 PRO 58 HB1 PRO 58 -20.556 0.830 5.095
275 HG2 PRO 58 HG2 PRO 58 -19.446 1.732 2.836
276 HG3 PRO 58 HG1 PRO 58 -18.472 1.425 4.284
277 HD2 PRO 58 HD2 PRO 58 -18.772 -0.239 1.814
278 HD3 PRO 58 HD1 PRO 58 -17.317 0.103 2.774
279 H GLN 59 HN GLN 59 -22.115 -1.222 5.552
280 HA GLN 59 HA GLN 59 -22.968 -3.494 3.882
281 HB2 GLN 59 HB2 GLN 59 -22.491 -4.028 6.333
282 HB3 GLN 59 HB1 GLN 59 -23.889 -3.034 6.719
283 HG2 GLN 59 HG2 GLN 59 -25.313 -4.511 5.400
284 HG3 GLN 59 HG1 GLN 59 -23.913 -5.500 4.991
285 HE21 GLN 59 HE21 GLN 59 -24.795 -7.335 5.926
286 HE22 GLN 59 HE22 GLN 59 -24.920 -7.531 7.638
287 H ARG 60 HN ARG 60 -23.310 -0.632 3.463
288 HA ARG 60 HA ARG 60 -26.223 -0.619 3.235
289 HB2 ARG 60 HB2 ARG 60 -25.651 0.630 5.301
290 HB3 ARG 60 HB1 ARG 60 -24.658 1.719 4.343
291 HG2 ARG 60 HG2 ARG 60 -26.793 2.735 4.819
292 HG3 ARG 60 HG1 ARG 60 -26.651 2.412 3.090
293 HD2 ARG 60 HD2 ARG 60 -28.874 1.831 3.998
294 HD3 ARG 60 HD1 ARG 60 -28.033 0.447 3.301
295 HE ARG 60 HE ARG 60 -27.479 0.547 6.047
296 HH11 ARG 60 HH11 ARG 60 -30.142 -0.066 3.883
297 HH12 ARG 60 HH12 ARG 60 -30.952 -1.138 4.976
298 HH21 ARG 60 HH21 ARG 60 -28.535 -0.862 7.492
299 HH22 ARG 60 HH22 ARG 60 -30.039 -1.587 7.032
Start of MODEL 12
1 H1 ARG 28 HT1 ARG 28 24.062 5.390 -3.383
2 H2 ARG 28 HT2 ARG 28 24.377 6.765 -4.317
3 H3 ARG 28 HT3 ARG 28 23.000 5.833 -4.623
4 HA ARG 28 HA ARG 28 23.524 7.356 -2.140
5 HB2 ARG 28 HB2 ARG 28 23.083 8.855 -4.002
6 HB3 ARG 28 HB1 ARG 28 21.670 7.915 -4.463
7 HG2 ARG 28 HG2 ARG 28 20.647 8.499 -2.272
8 HG3 ARG 28 HG1 ARG 28 22.021 9.564 -1.970
9 HD2 ARG 28 HD2 ARG 28 21.468 10.898 -3.900
10 HD3 ARG 28 HD1 ARG 28 20.182 9.778 -4.349
11 HE ARG 28 HE ARG 28 19.841 10.878 -1.726
12 HH11 ARG 28 HH11 ARG 28 19.335 11.446 -5.127
13 HH12 ARG 28 HH12 ARG 28 18.008 12.530 -4.879
14 HH21 ARG 28 HH21 ARG 28 18.094 12.300 -1.391
15 HH22 ARG 28 HH22 ARG 28 17.304 13.017 -2.754
16 H ARG 29 HN ARG 29 20.714 6.208 -4.006
17 HA ARG 29 HA ARG 29 19.434 5.366 -1.535
18 HB2 ARG 29 HB2 ARG 29 18.398 5.311 -4.375
19 HB3 ARG 29 HB1 ARG 29 17.449 5.012 -2.925
20 HG2 ARG 29 HG2 ARG 29 17.880 7.311 -2.184
21 HG3 ARG 29 HG1 ARG 29 18.787 7.604 -3.670
22 HD2 ARG 29 HD2 ARG 29 16.774 7.111 -4.983
23 HD3 ARG 29 HD1 ARG 29 15.874 6.840 -3.491
24 HE ARG 29 HE ARG 29 17.055 9.407 -3.463
25 HH11 ARG 29 HH11 ARG 29 14.460 7.611 -4.945
26 HH12 ARG 29 HH12 ARG 29 13.468 9.007 -5.198
27 HH21 ARG 29 HH21 ARG 29 15.751 11.247 -3.790
28 HH22 ARG 29 HH22 ARG 29 14.201 11.072 -4.544
29 H CYS 30 HN CYS 30 18.827 3.283 -1.035
30 HA CYS 30 HA CYS 30 20.306 1.193 -2.445
31 HB2 CYS 30 HB2 CYS 30 20.558 1.362 0.006
32 HB3 CYS 30 HB1 CYS 30 18.830 1.087 0.196
33 HG CYS 30 HG CYS 30 20.154 -1.254 0.908
34 H LEU 31 HN LEU 31 19.299 0.059 -3.956
35 HA LEU 31 HA LEU 31 16.498 0.143 -4.349
36 HB2 LEU 31 HB2 LEU 31 16.834 -1.294 -6.208
37 HB3 LEU 31 HB1 LEU 31 18.178 -0.178 -6.158
38 HG LEU 31 HG LEU 31 19.173 -2.189 -6.737
39 HD11 LEU 31 HD11 LEU 31 19.403 -2.148 -3.737
40 HD12 LEU 31 HD12 LEU 31 20.349 -1.171 -4.858
41 HD13 LEU 31 HD13 LEU 31 20.516 -2.927 -4.862
42 HD21 LEU 31 HD21 LEU 31 17.615 -3.655 -4.621
43 HD22 LEU 31 HD22 LEU 31 18.654 -4.348 -5.865
44 HD23 LEU 31 HD23 LEU 31 17.143 -3.558 -6.317
45 H PHE 32 HN PHE 32 18.439 -1.750 -2.313
46 HA PHE 32 HA PHE 32 16.603 -3.994 -2.208
47 HB2 PHE 32 HB2 PHE 32 19.021 -4.385 -1.976
48 HB3 PHE 32 HB1 PHE 32 19.048 -3.379 -0.533
49 HD1 PHE 32 HD1 PHE 32 17.470 -6.448 -1.919
50 HD2 PHE 32 HD2 PHE 32 18.750 -4.340 1.550
51 HE1 PHE 32 HE1 PHE 32 16.970 -8.424 -0.540
52 HE2 PHE 32 HE2 PHE 32 18.252 -6.312 2.935
53 HZ PHE 32 HZ PHE 32 17.358 -8.355 1.891
54 H LEU 33 HN LEU 33 17.368 -1.118 -0.359
55 HA LEU 33 HA LEU 33 15.671 -1.900 1.857
56 HB2 LEU 33 HB2 LEU 33 17.198 0.629 1.285
57 HB3 LEU 33 HB1 LEU 33 16.239 0.370 2.730
58 HG LEU 33 HG LEU 33 18.708 -1.161 1.910
59 HD11 LEU 33 HD11 LEU 33 19.165 1.044 2.806
60 HD12 LEU 33 HD12 LEU 33 19.638 -0.202 3.961
61 HD13 LEU 33 HD13 LEU 33 18.145 0.704 4.203
62 HD21 LEU 33 HD21 LEU 33 18.462 -2.320 4.071
63 HD22 LEU 33 HD22 LEU 33 17.145 -2.686 2.957
64 HD23 LEU 33 HD23 LEU 33 16.888 -1.552 4.283
65 H SER 34 HN SER 34 15.472 0.045 -1.018
66 HA SER 34 HA SER 34 13.204 1.582 -0.270
67 HB2 SER 34 HB2 SER 34 14.255 0.858 -3.014
68 HB3 SER 34 HB1 SER 34 13.025 2.079 -2.692
69 HG SER 34 HG SER 34 14.512 3.395 -1.907
70 H LEU 35 HN LEU 35 13.644 -1.595 -1.625
71 HA LEU 35 HA LEU 35 10.961 -1.948 -2.526
72 HB2 LEU 35 HB2 LEU 35 12.820 -3.246 -3.439
73 HB3 LEU 35 HB1 LEU 35 13.101 -3.973 -1.868
74 HG LEU 35 HG LEU 35 10.383 -4.337 -2.970
75 HD11 LEU 35 HD11 LEU 35 12.774 -5.730 -4.169
76 HD12 LEU 35 HD12 LEU 35 11.718 -4.582 -4.993
77 HD13 LEU 35 HD13 LEU 35 11.084 -6.140 -4.462
78 HD21 LEU 35 HD21 LEU 35 11.075 -5.348 -0.863
79 HD22 LEU 35 HD22 LEU 35 12.396 -6.179 -1.683
80 HD23 LEU 35 HD23 LEU 35 10.724 -6.589 -2.067
81 H PHE 36 HN PHE 36 12.543 -2.204 0.528
82 HA PHE 36 HA PHE 36 10.603 -3.938 1.745
83 HB2 PHE 36 HB2 PHE 36 12.963 -3.760 2.532
84 HB3 PHE 36 HB1 PHE 36 12.623 -2.121 3.077
85 HD1 PHE 36 HD1 PHE 36 11.947 -5.683 3.661
86 HD2 PHE 36 HD2 PHE 36 11.394 -1.711 5.083
87 HE1 PHE 36 HE1 PHE 36 11.170 -6.569 5.821
88 HE2 PHE 36 HE2 PHE 36 10.617 -2.590 7.247
89 HZ PHE 36 HZ PHE 36 10.510 -5.021 7.619
90 H SER 37 HN SER 37 10.992 -0.512 1.296
91 HA SER 37 HA SER 37 8.999 0.204 3.258
92 HB2 SER 37 HB2 SER 37 10.357 1.870 1.125
93 HB3 SER 37 HB1 SER 37 9.325 2.502 2.407
94 HG SER 37 HG SER 37 11.780 2.393 2.658
95 H PHE 38 HN PHE 38 9.095 -0.568 -0.112
96 HA PHE 38 HA PHE 38 6.610 0.684 -0.801
97 HB2 PHE 38 HB2 PHE 38 8.507 0.086 -2.400
98 HB3 PHE 38 HB1 PHE 38 7.936 -1.576 -2.285
99 HD1 PHE 38 HD1 PHE 38 6.815 1.854 -3.155
100 HD2 PHE 38 HD2 PHE 38 6.239 -2.330 -3.675
101 HE1 PHE 38 HE1 PHE 38 5.161 2.306 -4.919
102 HE2 PHE 38 HE2 PHE 38 4.584 -1.886 -5.441
103 HZ PHE 38 HZ PHE 38 4.042 0.435 -6.064
104 H LEU 39 HN LEU 39 7.560 -2.324 0.596
105 HA LEU 39 HA LEU 39 5.245 -3.826 -0.079
106 HB2 LEU 39 HB2 LEU 39 7.453 -4.758 0.671
107 HB3 LEU 39 HB1 LEU 39 7.072 -4.214 2.293
108 HG LEU 39 HG LEU 39 5.131 -5.999 0.914
109 HD11 LEU 39 HD11 LEU 39 7.271 -7.059 0.456
110 HD12 LEU 39 HD12 LEU 39 6.363 -7.977 1.659
111 HD13 LEU 39 HD13 LEU 39 7.704 -6.948 2.162
112 HD21 LEU 39 HD21 LEU 39 4.634 -5.065 3.128
113 HD22 LEU 39 HD22 LEU 39 6.105 -5.800 3.763
114 HD23 LEU 39 HD23 LEU 39 4.789 -6.820 3.183
115 H ILE 40 HN ILE 40 6.013 -1.509 2.380
116 HA ILE 40 HA ILE 40 3.759 -2.161 4.061
117 HB ILE 40 HB ILE 40 5.498 0.307 4.142
118 HG12 ILE 40 HG12 ILE 40 5.816 -2.254 5.724
119 HG13 ILE 40 HG11 ILE 40 6.790 -1.834 4.317
120 HG21 ILE 40 HG21 ILE 40 3.387 0.503 5.358
121 HG22 ILE 40 HG22 ILE 40 4.762 0.464 6.462
122 HG23 ILE 40 HG23 ILE 40 3.761 -0.972 6.250
123 HD11 ILE 40 HD11 ILE 40 7.982 -1.349 6.363
124 HD12 ILE 40 HD12 ILE 40 6.665 -0.312 6.910
125 HD13 ILE 40 HD13 ILE 40 7.618 0.144 5.498
126 H VAL 41 HN VAL 41 4.539 0.188 1.564
127 HA VAL 41 HA VAL 41 2.201 1.786 1.996
128 HB VAL 41 HB VAL 41 4.371 2.591 0.958
129 HG11 VAL 41 HG11 VAL 41 3.208 1.238 -1.464
130 HG12 VAL 41 HG12 VAL 41 4.690 0.788 -0.625
131 HG13 VAL 41 HG13 VAL 41 4.587 2.336 -1.463
132 HG21 VAL 41 HG21 VAL 41 1.790 3.149 -0.503
133 HG22 VAL 41 HG22 VAL 41 3.228 4.171 -0.525
134 HG23 VAL 41 HG23 VAL 41 2.335 3.936 0.978
135 H LEU 42 HN LEU 42 2.905 -1.082 0.227
136 HA LEU 42 HA LEU 42 0.683 -0.810 -1.599
137 HB2 LEU 42 HB2 LEU 42 2.770 -1.996 -2.217
138 HB3 LEU 42 HB1 LEU 42 2.410 -3.214 -0.999
139 HG LEU 42 HG LEU 42 0.348 -2.721 -3.086
140 HD11 LEU 42 HD11 LEU 42 1.479 -4.244 -4.638
141 HD12 LEU 42 HD12 LEU 42 2.905 -4.233 -3.600
142 HD13 LEU 42 HD13 LEU 42 2.388 -2.751 -4.403
143 HD21 LEU 42 HD21 LEU 42 0.074 -5.148 -2.859
144 HD22 LEU 42 HD22 LEU 42 -0.056 -4.327 -1.305
145 HD23 LEU 42 HD23 LEU 42 1.424 -5.189 -1.724
146 H LEU 43 HN LEU 43 1.480 -2.995 1.102
147 HA LEU 43 HA LEU 43 -0.962 -4.352 1.180
148 HB2 LEU 43 HB2 LEU 43 1.024 -5.142 2.345
149 HB3 LEU 43 HB1 LEU 43 0.975 -3.755 3.416
150 HG LEU 43 HG LEU 43 -1.224 -4.578 4.281
151 HD11 LEU 43 HD11 LEU 43 -0.534 -7.027 2.667
152 HD12 LEU 43 HD12 LEU 43 -1.886 -5.933 2.373
153 HD13 LEU 43 HD13 LEU 43 -1.840 -6.903 3.845
154 HD21 LEU 43 HD21 LEU 43 1.112 -6.465 4.548
155 HD22 LEU 43 HD22 LEU 43 -0.258 -6.354 5.653
156 HD23 LEU 43 HD23 LEU 43 0.853 -4.995 5.486
157 H LEU 44 HN LEU 44 -0.117 -1.182 2.276
158 HA LEU 44 HA LEU 44 -2.357 -0.931 4.068
159 HB2 LEU 44 HB2 LEU 44 -0.636 0.379 4.809
160 HB3 LEU 44 HB1 LEU 44 -0.086 0.766 3.191
161 HG LEU 44 HG LEU 44 -2.044 2.291 2.958
162 HD11 LEU 44 HD11 LEU 44 -3.500 1.295 4.634
163 HD12 LEU 44 HD12 LEU 44 -3.210 2.996 4.996
164 HD13 LEU 44 HD13 LEU 44 -2.365 1.744 5.907
165 HD21 LEU 44 HD21 LEU 44 -0.142 2.856 5.228
166 HD22 LEU 44 HD22 LEU 44 -1.088 4.063 4.358
167 HD23 LEU 44 HD23 LEU 44 0.160 3.146 3.515
168 H THR 45 HN THR 45 -1.456 0.324 0.866
169 HA THR 45 HA THR 45 -3.808 1.847 0.482
170 HB THR 45 HB THR 45 -3.183 1.626 -1.998
171 HG1 THR 45 HG1 THR 45 -0.717 1.001 -1.858
172 HG21 THR 45 HG21 THR 45 -1.281 3.166 -1.741
173 HG22 THR 45 HG22 THR 45 -1.186 2.747 -0.030
174 HG23 THR 45 HG23 THR 45 -2.611 3.574 -0.658
175 H THR 46 HN THR 46 -3.152 -1.528 0.179
176 HA THR 46 HA THR 46 -5.088 -2.270 -1.701
177 HB THR 46 HB THR 46 -4.172 -3.873 0.696
178 HG1 THR 46 HG1 THR 46 -2.433 -4.356 -0.457
179 HG21 THR 46 HG21 THR 46 -5.380 -4.751 -1.932
180 HG22 THR 46 HG22 THR 46 -6.189 -4.777 -0.365
181 HG23 THR 46 HG23 THR 46 -4.797 -5.820 -0.654
182 H LEU 47 HN LEU 47 -5.340 -2.362 1.864
183 HA LEU 47 HA LEU 47 -8.183 -2.786 1.739
184 HB2 LEU 47 HB2 LEU 47 -6.348 -2.223 4.068
185 HB3 LEU 47 HB1 LEU 47 -8.058 -2.571 4.224
186 HG LEU 47 HG LEU 47 -6.892 -4.570 4.739
187 HD11 LEU 47 HD11 LEU 47 -8.886 -4.878 3.373
188 HD12 LEU 47 HD12 LEU 47 -7.682 -6.124 3.041
189 HD13 LEU 47 HD13 LEU 47 -7.905 -4.791 1.910
190 HD21 LEU 47 HD21 LEU 47 -5.242 -5.597 3.306
191 HD22 LEU 47 HD22 LEU 47 -4.748 -3.950 3.697
192 HD23 LEU 47 HD23 LEU 47 -5.434 -4.312 2.114
193 H PHE 48 HN PHE 48 -6.070 -0.061 1.973
194 HA PHE 48 HA PHE 48 -7.909 1.758 3.151
195 HB2 PHE 48 HB2 PHE 48 -5.429 2.077 3.087
196 HB3 PHE 48 HB1 PHE 48 -5.559 2.402 1.361
197 HD1 PHE 48 HD1 PHE 48 -6.282 4.511 0.556
198 HD2 PHE 48 HD2 PHE 48 -6.446 3.633 4.717
199 HE1 PHE 48 HE1 PHE 48 -6.706 6.886 1.038
200 HE2 PHE 48 HE2 PHE 48 -6.872 6.005 5.205
201 HZ PHE 48 HZ PHE 48 -7.002 7.636 3.365
202 H CYS 49 HN CYS 49 -7.258 0.740 -0.138
203 HA CYS 49 HA CYS 49 -8.877 2.818 -1.310
204 HB2 CYS 49 HB2 CYS 49 -7.558 0.359 -2.462
205 HB3 CYS 49 HB1 CYS 49 -8.523 1.473 -3.423
206 HG CYS 49 HG CYS 49 -6.499 3.440 -1.977
207 H LEU 50 HN LEU 50 -9.208 -0.650 -0.670
208 HA LEU 50 HA LEU 50 -11.692 -1.020 -1.924
209 HB2 LEU 50 HB2 LEU 50 -10.533 -2.461 0.467
210 HB3 LEU 50 HB1 LEU 50 -11.896 -3.022 -0.496
211 HG LEU 50 HG LEU 50 -9.122 -2.600 -1.611
212 HD11 LEU 50 HD11 LEU 50 -10.433 -5.141 -0.658
213 HD12 LEU 50 HD12 LEU 50 -9.051 -4.335 0.085
214 HD13 LEU 50 HD13 LEU 50 -8.901 -5.038 -1.526
215 HD21 LEU 50 HD21 LEU 50 -9.933 -3.904 -3.483
216 HD22 LEU 50 HD22 LEU 50 -10.968 -2.498 -3.235
217 HD23 LEU 50 HD23 LEU 50 -11.504 -4.092 -2.703
218 H LEU 51 HN LEU 51 -10.829 0.206 1.239
219 HA LEU 51 HA LEU 51 -13.532 0.168 2.234
220 HB2 LEU 51 HB2 LEU 51 -10.977 1.377 3.274
221 HB3 LEU 51 HB1 LEU 51 -12.515 1.541 4.102
222 HG LEU 51 HG LEU 51 -11.174 -1.097 3.501
223 HD11 LEU 51 HD11 LEU 51 -11.297 0.490 6.062
224 HD12 LEU 51 HD12 LEU 51 -9.858 0.175 5.092
225 HD13 LEU 51 HD13 LEU 51 -10.682 -1.155 5.906
226 HD21 LEU 51 HD21 LEU 51 -12.822 -2.003 5.066
227 HD22 LEU 51 HD22 LEU 51 -13.600 -1.254 3.672
228 HD23 LEU 51 HD23 LEU 51 -13.557 -0.407 5.219
229 H HIS 52 HN HIS 52 -11.317 2.558 0.886
230 HA HIS 52 HA HIS 52 -12.867 4.847 1.385
231 HB2 HIS 52 HB2 HIS 52 -10.503 4.952 0.726
232 HB3 HIS 52 HB1 HIS 52 -10.916 4.337 -0.870
233 HD1 HIS 52 HD1 HIS 52 -12.229 5.964 -2.455
234 HD2 HIS 52 HD2 HIS 52 -10.918 7.665 1.103
235 HE1 HIS 52 HE1 HIS 52 -12.441 8.449 -2.780
236 HE2 HIS 52 HE2 HIS 52 -11.630 9.459 -0.619
237 H PHE 53 HN PHE 53 -12.538 3.005 -1.657
238 HA PHE 53 HA PHE 53 -14.715 4.370 -2.900
239 HB2 PHE 53 HB2 PHE 53 -12.760 3.300 -4.095
240 HB3 PHE 53 HB1 PHE 53 -13.500 1.740 -3.755
241 HD1 PHE 53 HD1 PHE 53 -15.470 1.016 -4.937
242 HD2 PHE 53 HD2 PHE 53 -13.770 4.848 -5.669
243 HE1 PHE 53 HE1 PHE 53 -16.828 1.225 -6.977
244 HE2 PHE 53 HE2 PHE 53 -15.129 5.065 -7.710
245 HZ PHE 53 HZ PHE 53 -16.659 3.252 -8.366
246 H GLY 54 HN GLY 54 -14.405 1.555 -0.917
247 HA2 GLY 54 HA2 GLY 54 -15.990 0.201 0.046
248 HA3 GLY 54 HA1 GLY 54 -17.197 1.354 -0.498
249 H VAL 55 HN VAL 55 -15.056 -0.210 -2.765
250 HA VAL 55 HA VAL 55 -17.085 -1.099 -4.434
251 HB VAL 55 HB VAL 55 -14.852 -0.897 -5.282
252 HG11 VAL 55 HG11 VAL 55 -13.057 -2.448 -4.640
253 HG12 VAL 55 HG12 VAL 55 -14.109 -3.123 -3.399
254 HG13 VAL 55 HG13 VAL 55 -13.593 -1.442 -3.295
255 HG21 VAL 55 HG21 VAL 55 -15.737 -3.778 -5.332
256 HG22 VAL 55 HG22 VAL 55 -14.587 -3.042 -6.449
257 HG23 VAL 55 HG23 VAL 55 -16.265 -2.501 -6.426
258 H ILE 56 HN ILE 56 -15.356 -2.865 -1.905
259 HA ILE 56 HA ILE 56 -17.605 -4.568 -1.436
260 HB ILE 56 HB ILE 56 -15.877 -6.628 -1.708
261 HG12 ILE 56 HG12 ILE 56 -14.990 -6.384 -4.094
262 HG13 ILE 56 HG11 ILE 56 -15.234 -4.654 -3.897
263 HG21 ILE 56 HG21 ILE 56 -17.711 -5.624 -3.875
264 HG22 ILE 56 HG22 ILE 56 -18.218 -6.514 -2.440
265 HG23 ILE 56 HG23 ILE 56 -17.175 -7.287 -3.634
266 HD11 ILE 56 HD11 ILE 56 -13.451 -6.385 -2.202
267 HD12 ILE 56 HD12 ILE 56 -13.691 -4.648 -2.015
268 HD13 ILE 56 HD13 ILE 56 -12.931 -5.281 -3.475
269 H GLY 57 HN GLY 57 -17.483 -3.873 0.670
270 HA2 GLY 57 HA2 GLY 57 -16.243 -5.308 2.582
271 HA3 GLY 57 HA1 GLY 57 -15.009 -4.132 2.157
272 HA PRO 58 HA PRO 58 -18.716 -1.621 4.039
273 HB2 PRO 58 HB2 PRO 58 -20.542 -3.060 5.441
274 HB3 PRO 58 HB1 PRO 58 -20.719 -2.709 3.717
275 HG2 PRO 58 HG2 PRO 58 -19.685 -5.191 5.047
276 HG3 PRO 58 HG1 PRO 58 -20.836 -5.041 3.704
277 HD2 PRO 58 HD2 PRO 58 -18.244 -5.626 3.286
278 HD3 PRO 58 HD1 PRO 58 -19.170 -4.613 2.160
279 H GLN 59 HN GLN 59 -19.824 -1.936 6.572
280 HA GLN 59 HA GLN 59 -17.785 -2.948 8.357
281 HB2 GLN 59 HB2 GLN 59 -17.643 -0.678 9.520
282 HB3 GLN 59 HB1 GLN 59 -16.766 -0.861 8.007
283 HG2 GLN 59 HG2 GLN 59 -17.805 1.260 7.961
284 HG3 GLN 59 HG1 GLN 59 -18.699 0.222 6.851
285 HE21 GLN 59 HE21 GLN 59 -20.791 -0.387 7.351
286 HE22 GLN 59 HE22 GLN 59 -21.708 0.378 8.599
287 H ARG 60 HN ARG 60 -20.616 -3.428 7.811
288 HA ARG 60 HA ARG 60 -21.817 -2.574 10.355
289 HB2 ARG 60 HB2 ARG 60 -23.062 -1.948 8.326
290 HB3 ARG 60 HB1 ARG 60 -23.155 -3.641 7.863
291 HG2 ARG 60 HG2 ARG 60 -24.487 -4.125 9.842
292 HG3 ARG 60 HG1 ARG 60 -24.373 -2.436 10.339
293 HD2 ARG 60 HD2 ARG 60 -25.531 -1.761 8.289
294 HD3 ARG 60 HD1 ARG 60 -25.650 -3.452 7.803
295 HE ARG 60 HE ARG 60 -26.801 -3.236 10.321
296 HH11 ARG 60 HH11 ARG 60 -27.366 -2.038 7.097
297 HH12 ARG 60 HH12 ARG 60 -29.082 -1.920 7.305
298 HH21 ARG 60 HH21 ARG 60 -29.055 -3.085 10.601
299 HH22 ARG 60 HH22 ARG 60 -30.042 -2.514 9.297
Start of MODEL 13
1 H1 ARG 28 HT1 ARG 28 24.380 0.953 -6.971
2 H2 ARG 28 HT2 ARG 28 26.039 0.662 -7.131
3 H3 ARG 28 HT3 ARG 28 25.487 1.843 -6.052
4 HA ARG 28 HA ARG 28 24.937 -1.058 -5.830
5 HB2 ARG 28 HB2 ARG 28 26.486 -0.996 -3.910
6 HB3 ARG 28 HB1 ARG 28 27.290 -0.603 -5.422
7 HG2 ARG 28 HG2 ARG 28 27.231 1.758 -4.868
8 HG3 ARG 28 HG1 ARG 28 26.360 1.401 -3.375
9 HD2 ARG 28 HD2 ARG 28 29.144 0.474 -4.082
10 HD3 ARG 28 HD1 ARG 28 28.733 1.756 -2.941
11 HE ARG 28 HE ARG 28 27.401 -0.485 -2.058
12 HH11 ARG 28 HH11 ARG 28 30.719 0.410 -2.650
13 HH12 ARG 28 HH12 ARG 28 31.354 -0.646 -1.433
14 HH21 ARG 28 HH21 ARG 28 28.232 -1.874 -0.453
15 HH22 ARG 28 HH22 ARG 28 29.942 -1.944 -0.186
16 H ARG 29 HN ARG 29 23.077 1.199 -5.757
17 HA ARG 29 HA ARG 29 22.465 1.886 -3.080
18 HB2 ARG 29 HB2 ARG 29 21.672 3.218 -4.962
19 HB3 ARG 29 HB1 ARG 29 20.710 1.866 -5.541
20 HG2 ARG 29 HG2 ARG 29 19.311 1.978 -3.564
21 HG3 ARG 29 HG1 ARG 29 20.302 3.288 -2.919
22 HD2 ARG 29 HD2 ARG 29 19.680 4.709 -4.786
23 HD3 ARG 29 HD1 ARG 29 18.749 3.394 -5.501
24 HE ARG 29 HE ARG 29 17.719 3.777 -2.970
25 HH11 ARG 29 HH11 ARG 29 18.107 5.664 -5.872
26 HH12 ARG 29 HH12 ARG 29 16.700 6.633 -5.587
27 HH21 ARG 29 HH21 ARG 29 15.863 5.047 -2.585
28 HH22 ARG 29 HH22 ARG 29 15.425 6.282 -3.717
29 H CYS 30 HN CYS 30 21.139 0.972 -1.595
30 HA CYS 30 HA CYS 30 20.665 -1.802 -1.703
31 HB2 CYS 30 HB2 CYS 30 19.484 0.284 0.143
32 HB3 CYS 30 HB1 CYS 30 19.408 -1.456 0.401
33 HG CYS 30 HG CYS 30 21.428 -1.235 1.998
34 H LEU 31 HN LEU 31 19.383 -2.483 -3.353
35 HA LEU 31 HA LEU 31 16.850 -1.196 -3.904
36 HB2 LEU 31 HB2 LEU 31 18.244 -2.047 -5.733
37 HB3 LEU 31 HB1 LEU 31 18.105 -3.671 -5.091
38 HG LEU 31 HG LEU 31 15.640 -3.556 -5.486
39 HD11 LEU 31 HD11 LEU 31 15.387 -1.134 -5.465
40 HD12 LEU 31 HD12 LEU 31 14.786 -1.817 -6.976
41 HD13 LEU 31 HD13 LEU 31 16.353 -1.010 -6.935
42 HD21 LEU 31 HD21 LEU 31 17.407 -3.141 -7.895
43 HD22 LEU 31 HD22 LEU 31 15.797 -3.863 -7.909
44 HD23 LEU 31 HD23 LEU 31 17.119 -4.671 -7.066
45 H PHE 32 HN PHE 32 17.921 -4.416 -2.822
46 HA PHE 32 HA PHE 32 15.363 -5.503 -2.438
47 HB2 PHE 32 HB2 PHE 32 17.981 -6.176 -1.085
48 HB3 PHE 32 HB1 PHE 32 16.520 -7.151 -0.964
49 HD1 PHE 32 HD1 PHE 32 15.734 -8.453 -2.843
50 HD2 PHE 32 HD2 PHE 32 19.273 -6.105 -3.123
51 HE1 PHE 32 HE1 PHE 32 16.364 -9.655 -4.895
52 HE2 PHE 32 HE2 PHE 32 19.910 -7.302 -5.176
53 HZ PHE 32 HZ PHE 32 18.454 -9.080 -6.065
54 H LEU 33 HN LEU 33 17.234 -3.323 -0.504
55 HA LEU 33 HA LEU 33 15.661 -3.771 1.890
56 HB2 LEU 33 HB2 LEU 33 17.841 -1.816 1.222
57 HB3 LEU 33 HB1 LEU 33 17.017 -1.828 2.762
58 HG LEU 33 HG LEU 33 17.778 -4.281 2.866
59 HD11 LEU 33 HD11 LEU 33 19.716 -3.210 0.836
60 HD12 LEU 33 HD12 LEU 33 18.535 -4.494 0.577
61 HD13 LEU 33 HD13 LEU 33 19.875 -4.742 1.696
62 HD21 LEU 33 HD21 LEU 33 19.734 -2.015 3.134
63 HD22 LEU 33 HD22 LEU 33 19.917 -3.610 3.863
64 HD23 LEU 33 HD23 LEU 33 18.589 -2.559 4.360
65 H SER 34 HN SER 34 16.078 -1.216 -0.531
66 HA SER 34 HA SER 34 14.216 0.580 0.611
67 HB2 SER 34 HB2 SER 34 15.885 1.341 -0.999
68 HB3 SER 34 HB1 SER 34 15.166 0.331 -2.253
69 HG SER 34 HG SER 34 13.690 1.795 -2.564
70 H LEU 35 HN LEU 35 13.870 -2.254 -1.312
71 HA LEU 35 HA LEU 35 11.302 -1.718 -2.401
72 HB2 LEU 35 HB2 LEU 35 12.834 -3.420 -3.304
73 HB3 LEU 35 HB1 LEU 35 12.638 -4.363 -1.840
74 HG LEU 35 HG LEU 35 10.234 -4.635 -2.362
75 HD11 LEU 35 HD11 LEU 35 9.913 -2.612 -3.682
76 HD12 LEU 35 HD12 LEU 35 9.417 -4.043 -4.586
77 HD13 LEU 35 HD13 LEU 35 10.956 -3.261 -4.947
78 HD21 LEU 35 HD21 LEU 35 12.101 -5.494 -4.564
79 HD22 LEU 35 HD22 LEU 35 10.538 -6.217 -4.184
80 HD23 LEU 35 HD23 LEU 35 11.866 -6.327 -3.029
81 H PHE 36 HN PHE 36 12.385 -2.534 0.720
82 HA PHE 36 HA PHE 36 10.102 -3.957 1.643
83 HB2 PHE 36 HB2 PHE 36 12.335 -4.027 2.742
84 HB3 PHE 36 HB1 PHE 36 12.099 -2.360 3.258
85 HD1 PHE 36 HD1 PHE 36 10.715 -5.782 3.567
86 HD2 PHE 36 HD2 PHE 36 10.923 -1.865 5.216
87 HE1 PHE 36 HE1 PHE 36 9.567 -6.577 5.591
88 HE2 PHE 36 HE2 PHE 36 9.775 -2.654 7.244
89 HZ PHE 36 HZ PHE 36 9.099 -5.014 7.435
90 H SER 37 HN SER 37 10.881 -0.573 1.317
91 HA SER 37 HA SER 37 8.862 0.408 3.076
92 HB2 SER 37 HB2 SER 37 10.143 1.868 0.756
93 HB3 SER 37 HB1 SER 37 9.359 2.585 2.164
94 HG SER 37 HG SER 37 11.645 2.567 2.352
95 H PHE 38 HN PHE 38 9.061 0.071 -0.460
96 HA PHE 38 HA PHE 38 6.511 1.100 -1.030
97 HB2 PHE 38 HB2 PHE 38 8.041 -0.979 -2.600
98 HB3 PHE 38 HB1 PHE 38 6.751 0.050 -3.211
99 HD1 PHE 38 HD1 PHE 38 7.138 2.549 -3.265
100 HD2 PHE 38 HD2 PHE 38 10.265 -0.268 -2.644
101 HE1 PHE 38 HE1 PHE 38 8.792 4.252 -3.911
102 HE2 PHE 38 HE2 PHE 38 11.926 1.429 -3.288
103 HZ PHE 38 HZ PHE 38 11.195 3.688 -3.923
104 H LEU 39 HN LEU 39 7.498 -1.900 0.302
105 HA LEU 39 HA LEU 39 5.200 -3.411 -0.494
106 HB2 LEU 39 HB2 LEU 39 7.473 -4.329 0.178
107 HB3 LEU 39 HB1 LEU 39 7.016 -3.997 1.838
108 HG LEU 39 HG LEU 39 5.188 -5.651 0.174
109 HD11 LEU 39 HD11 LEU 39 7.384 -6.595 -0.298
110 HD12 LEU 39 HD12 LEU 39 6.437 -7.674 0.727
111 HD13 LEU 39 HD13 LEU 39 7.721 -6.691 1.430
112 HD21 LEU 39 HD21 LEU 39 6.022 -5.724 3.071
113 HD22 LEU 39 HD22 LEU 39 4.799 -6.754 2.325
114 HD23 LEU 39 HD23 LEU 39 4.539 -5.013 2.435
115 H ILE 40 HN ILE 40 6.073 -1.380 2.209
116 HA ILE 40 HA ILE 40 3.811 -2.126 3.822
117 HB ILE 40 HB ILE 40 5.611 0.283 4.102
118 HG12 ILE 40 HG12 ILE 40 5.820 -2.386 5.511
119 HG13 ILE 40 HG11 ILE 40 6.807 -1.928 4.126
120 HG21 ILE 40 HG21 ILE 40 4.866 0.263 6.441
121 HG22 ILE 40 HG22 ILE 40 3.780 -1.078 6.076
122 HG23 ILE 40 HG23 ILE 40 3.521 0.496 5.325
123 HD11 ILE 40 HD11 ILE 40 6.743 -0.477 6.761
124 HD12 ILE 40 HD12 ILE 40 7.789 -0.119 5.388
125 HD13 ILE 40 HD13 ILE 40 7.972 -1.639 6.262
126 H VAL 41 HN VAL 41 4.629 0.452 1.576
127 HA VAL 41 HA VAL 41 2.334 2.052 2.136
128 HB VAL 41 HB VAL 41 4.529 2.822 1.068
129 HG11 VAL 41 HG11 VAL 41 3.157 1.790 -1.403
130 HG12 VAL 41 HG12 VAL 41 4.614 1.120 -0.675
131 HG13 VAL 41 HG13 VAL 41 4.637 2.746 -1.356
132 HG21 VAL 41 HG21 VAL 41 1.899 3.636 -0.168
133 HG22 VAL 41 HG22 VAL 41 3.393 4.573 -0.227
134 HG23 VAL 41 HG23 VAL 41 2.597 4.277 1.320
135 H LEU 42 HN LEU 42 2.974 -0.667 0.093
136 HA LEU 42 HA LEU 42 0.639 -0.263 -1.566
137 HB2 LEU 42 HB2 LEU 42 2.946 -1.486 -2.073
138 HB3 LEU 42 HB1 LEU 42 2.068 -2.877 -1.448
139 HG LEU 42 HG LEU 42 1.955 -2.809 -3.874
140 HD11 LEU 42 HD11 LEU 42 0.035 -3.702 -2.644
141 HD12 LEU 42 HD12 LEU 42 -0.446 -2.958 -4.169
142 HD13 LEU 42 HD13 LEU 42 -0.705 -2.101 -2.650
143 HD21 LEU 42 HD21 LEU 42 0.627 -0.125 -3.529
144 HD22 LEU 42 HD22 LEU 42 0.813 -1.002 -5.049
145 HD23 LEU 42 HD23 LEU 42 2.236 -0.410 -4.192
146 H LEU 43 HN LEU 43 1.661 -2.541 0.964
147 HA LEU 43 HA LEU 43 -0.602 -4.140 1.052
148 HB2 LEU 43 HB2 LEU 43 1.736 -3.984 2.463
149 HB3 LEU 43 HB1 LEU 43 0.563 -3.515 3.677
150 HG LEU 43 HG LEU 43 1.009 -5.895 3.812
151 HD11 LEU 43 HD11 LEU 43 -1.270 -6.750 3.641
152 HD12 LEU 43 HD12 LEU 43 -1.728 -5.348 2.673
153 HD13 LEU 43 HD13 LEU 43 -1.243 -5.137 4.355
154 HD21 LEU 43 HD21 LEU 43 0.028 -6.039 0.964
155 HD22 LEU 43 HD22 LEU 43 0.464 -7.409 1.985
156 HD23 LEU 43 HD23 LEU 43 1.698 -6.251 1.490
157 H LEU 44 HN LEU 44 -0.114 -0.909 2.255
158 HA LEU 44 HA LEU 44 -2.503 -0.927 3.880
159 HB2 LEU 44 HB2 LEU 44 -0.542 1.222 3.117
160 HB3 LEU 44 HB1 LEU 44 -2.003 1.573 4.017
161 HG LEU 44 HG LEU 44 0.215 -0.262 4.931
162 HD11 LEU 44 HD11 LEU 44 0.625 1.498 6.600
163 HD12 LEU 44 HD12 LEU 44 -0.574 2.513 5.800
164 HD13 LEU 44 HD13 LEU 44 0.903 2.058 4.951
165 HD21 LEU 44 HD21 LEU 44 -2.298 0.657 6.323
166 HD22 LEU 44 HD22 LEU 44 -0.989 -0.255 7.073
167 HD23 LEU 44 HD23 LEU 44 -1.944 -0.984 5.781
168 H THR 45 HN THR 45 -1.471 0.626 0.850
169 HA THR 45 HA THR 45 -3.805 2.034 0.305
170 HB THR 45 HB THR 45 -3.118 1.767 -2.141
171 HG1 THR 45 HG1 THR 45 -0.613 0.922 -1.378
172 HG21 THR 45 HG21 THR 45 -1.169 3.237 -1.870
173 HG22 THR 45 HG22 THR 45 -1.100 2.824 -0.158
174 HG23 THR 45 HG23 THR 45 -2.489 3.703 -0.796
175 H THR 46 HN THR 46 -3.102 -1.366 -0.113
176 HA THR 46 HA THR 46 -5.104 -2.042 -1.942
177 HB THR 46 HB THR 46 -4.073 -3.745 0.335
178 HG1 THR 46 HG1 THR 46 -2.956 -2.905 -2.039
179 HG21 THR 46 HG21 THR 46 -4.733 -5.636 -1.066
180 HG22 THR 46 HG22 THR 46 -5.366 -4.526 -2.282
181 HG23 THR 46 HG23 THR 46 -6.127 -4.621 -0.694
182 H LEU 47 HN LEU 47 -5.235 -2.383 1.615
183 HA LEU 47 HA LEU 47 -8.035 -2.893 1.615
184 HB2 LEU 47 HB2 LEU 47 -5.892 -2.553 3.641
185 HB3 LEU 47 HB1 LEU 47 -7.544 -2.341 4.169
186 HG LEU 47 HG LEU 47 -8.089 -4.611 3.380
187 HD11 LEU 47 HD11 LEU 47 -6.455 -4.782 1.585
188 HD12 LEU 47 HD12 LEU 47 -6.290 -6.126 2.716
189 HD13 LEU 47 HD13 LEU 47 -5.143 -4.786 2.765
190 HD21 LEU 47 HD21 LEU 47 -6.854 -5.829 5.099
191 HD22 LEU 47 HD22 LEU 47 -7.406 -4.264 5.696
192 HD23 LEU 47 HD23 LEU 47 -5.718 -4.487 5.239
193 H PHE 48 HN PHE 48 -6.030 -0.093 2.443
194 HA PHE 48 HA PHE 48 -7.981 1.579 3.480
195 HB2 PHE 48 HB2 PHE 48 -5.602 2.105 3.586
196 HB3 PHE 48 HB1 PHE 48 -5.551 2.326 1.842
197 HD1 PHE 48 HD1 PHE 48 -5.825 4.439 0.957
198 HD2 PHE 48 HD2 PHE 48 -7.254 3.634 4.884
199 HE1 PHE 48 HE1 PHE 48 -6.369 6.822 1.244
200 HE2 PHE 48 HE2 PHE 48 -7.801 6.015 5.178
201 HZ PHE 48 HZ PHE 48 -7.358 7.613 3.356
202 H CYS 49 HN CYS 49 -7.072 1.068 0.088
203 HA CYS 49 HA CYS 49 -8.791 3.086 -0.939
204 HB2 CYS 49 HB2 CYS 49 -7.430 0.718 -2.212
205 HB3 CYS 49 HB1 CYS 49 -8.463 1.812 -3.126
206 HG CYS 49 HG CYS 49 -6.874 4.069 -2.629
207 H LEU 50 HN LEU 50 -9.186 -0.335 -0.258
208 HA LEU 50 HA LEU 50 -11.611 -0.741 -1.639
209 HB2 LEU 50 HB2 LEU 50 -10.406 -2.119 0.759
210 HB3 LEU 50 HB1 LEU 50 -11.878 -2.670 -0.033
211 HG LEU 50 HG LEU 50 -9.271 -2.380 -1.515
212 HD11 LEU 50 HD11 LEU 50 -8.914 -4.755 -1.203
213 HD12 LEU 50 HD12 LEU 50 -10.359 -4.864 -0.197
214 HD13 LEU 50 HD13 LEU 50 -8.964 -3.939 0.360
215 HD21 LEU 50 HD21 LEU 50 -11.771 -3.968 -2.075
216 HD22 LEU 50 HD22 LEU 50 -10.330 -3.904 -3.089
217 HD23 LEU 50 HD23 LEU 50 -11.313 -2.458 -2.861
218 H LEU 51 HN LEU 51 -10.958 0.159 1.729
219 HA LEU 51 HA LEU 51 -13.567 0.141 2.682
220 HB2 LEU 51 HB2 LEU 51 -11.339 2.029 3.448
221 HB3 LEU 51 HB1 LEU 51 -12.776 1.703 4.399
222 HG LEU 51 HG LEU 51 -10.716 -0.389 3.693
223 HD11 LEU 51 HD11 LEU 51 -11.058 1.164 6.257
224 HD12 LEU 51 HD12 LEU 51 -9.736 1.353 5.106
225 HD13 LEU 51 HD13 LEU 51 -9.928 -0.162 5.987
226 HD21 LEU 51 HD21 LEU 51 -11.815 -1.698 5.425
227 HD22 LEU 51 HD22 LEU 51 -12.963 -1.251 4.163
228 HD23 LEU 51 HD23 LEU 51 -12.967 -0.392 5.702
229 H HIS 52 HN HIS 52 -11.783 2.720 1.036
230 HA HIS 52 HA HIS 52 -14.027 4.530 1.150
231 HB2 HIS 52 HB2 HIS 52 -11.343 4.703 -0.226
232 HB3 HIS 52 HB1 HIS 52 -12.557 5.976 -0.299
233 HD1 HIS 52 HD1 HIS 52 -13.251 6.978 2.141
234 HD2 HIS 52 HD2 HIS 52 -9.672 4.878 1.910
235 HE1 HIS 52 HE1 HIS 52 -11.949 7.640 4.189
236 HE2 HIS 52 HE2 HIS 52 -9.821 6.295 4.068
237 H PHE 53 HN PHE 53 -12.885 2.082 -0.977
238 HA PHE 53 HA PHE 53 -14.149 3.094 -3.350
239 HB2 PHE 53 HB2 PHE 53 -12.229 1.638 -3.581
240 HB3 PHE 53 HB1 PHE 53 -13.035 0.363 -2.674
241 HD1 PHE 53 HD1 PHE 53 -14.416 -1.192 -3.747
242 HD2 PHE 53 HD2 PHE 53 -13.159 2.301 -5.826
243 HE1 PHE 53 HE1 PHE 53 -15.307 -2.123 -5.842
244 HE2 PHE 53 HE2 PHE 53 -14.049 1.377 -7.925
245 HZ PHE 53 HZ PHE 53 -15.126 -0.838 -7.935
246 H GLY 54 HN GLY 54 -15.088 1.121 -0.657
247 HA2 GLY 54 HA2 GLY 54 -17.248 0.563 -0.005
248 HA3 GLY 54 HA1 GLY 54 -17.844 1.218 -1.521
249 H VAL 55 HN VAL 55 -15.296 -1.152 -1.461
250 HA VAL 55 HA VAL 55 -16.381 -2.877 -3.289
251 HB VAL 55 HB VAL 55 -14.096 -3.114 -2.699
252 HG11 VAL 55 HG11 VAL 55 -13.516 -4.128 -0.417
253 HG12 VAL 55 HG12 VAL 55 -15.110 -3.555 0.068
254 HG13 VAL 55 HG13 VAL 55 -13.902 -2.411 -0.506
255 HG21 VAL 55 HG21 VAL 55 -15.536 -5.581 -1.741
256 HG22 VAL 55 HG22 VAL 55 -13.873 -5.505 -2.324
257 HG23 VAL 55 HG23 VAL 55 -15.210 -5.175 -3.426
258 H ILE 56 HN ILE 56 -16.903 -2.820 0.178
259 HA ILE 56 HA ILE 56 -19.162 -4.649 -0.182
260 HB ILE 56 HB ILE 56 -18.307 -5.356 2.323
261 HG12 ILE 56 HG12 ILE 56 -15.929 -6.096 1.960
262 HG13 ILE 56 HG11 ILE 56 -15.894 -5.077 0.526
263 HG21 ILE 56 HG21 ILE 56 -19.241 -6.849 0.662
264 HG22 ILE 56 HG22 ILE 56 -17.732 -7.510 1.292
265 HG23 ILE 56 HG23 ILE 56 -17.764 -6.744 -0.296
266 HD11 ILE 56 HD11 ILE 56 -16.143 -4.240 3.394
267 HD12 ILE 56 HD12 ILE 56 -16.496 -3.153 2.053
268 HD13 ILE 56 HD13 ILE 56 -14.879 -3.832 2.232
269 H GLY 57 HN GLY 57 -18.280 -1.705 0.673
270 HA2 GLY 57 HA2 GLY 57 -20.637 -1.302 2.295
271 HA3 GLY 57 HA1 GLY 57 -19.130 -1.020 3.153
272 HA PRO 58 HA PRO 58 -19.225 2.341 -0.296
273 HB2 PRO 58 HB2 PRO 58 -21.466 2.568 -1.802
274 HB3 PRO 58 HB1 PRO 58 -20.105 1.537 -2.257
275 HG2 PRO 58 HG2 PRO 58 -22.696 0.794 -0.961
276 HG3 PRO 58 HG1 PRO 58 -21.807 -0.043 -2.247
277 HD2 PRO 58 HD2 PRO 58 -21.733 -0.828 0.354
278 HD3 PRO 58 HD1 PRO 58 -20.376 -1.066 -0.765
279 H GLN 59 HN GLN 59 -22.694 1.925 0.328
280 HA GLN 59 HA GLN 59 -24.242 3.260 1.327
281 HB2 GLN 59 HB2 GLN 59 -21.901 3.885 3.135
282 HB3 GLN 59 HB1 GLN 59 -23.582 4.253 3.496
283 HG2 GLN 59 HG2 GLN 59 -22.423 1.503 3.102
284 HG3 GLN 59 HG1 GLN 59 -22.837 2.244 4.647
285 HE21 GLN 59 HE21 GLN 59 -25.240 3.508 3.571
286 HE22 GLN 59 HE22 GLN 59 -26.408 2.247 3.400
287 H ARG 60 HN ARG 60 -24.469 4.659 -0.464
288 HA ARG 60 HA ARG 60 -22.965 7.169 -0.375
289 HB2 ARG 60 HB2 ARG 60 -24.895 6.164 -2.474
290 HB3 ARG 60 HB1 ARG 60 -23.874 7.591 -2.598
291 HG2 ARG 60 HG2 ARG 60 -21.883 6.161 -2.496
292 HG3 ARG 60 HG1 ARG 60 -22.926 4.738 -2.420
293 HD2 ARG 60 HD2 ARG 60 -23.894 5.379 -4.601
294 HD3 ARG 60 HD1 ARG 60 -22.767 6.733 -4.678
295 HE ARG 60 HE ARG 60 -21.600 4.089 -4.365
296 HH11 ARG 60 HH11 ARG 60 -22.450 6.708 -6.502
297 HH12 ARG 60 HH12 ARG 60 -21.378 6.198 -7.762
298 HH21 ARG 60 HH21 ARG 60 -20.186 3.411 -6.018
299 HH22 ARG 60 HH22 ARG 60 -20.089 4.324 -7.487
Start of MODEL 14
1 H1 ARG 28 HT1 ARG 28 22.668 4.043 4.071
2 H2 ARG 28 HT2 ARG 28 24.354 3.999 3.944
3 H3 ARG 28 HT3 ARG 28 23.489 2.571 4.214
4 HA ARG 28 HA ARG 28 23.370 4.249 1.778
5 HB2 ARG 28 HB2 ARG 28 25.461 2.920 2.077
6 HB3 ARG 28 HB1 ARG 28 24.482 1.463 2.169
7 HG2 ARG 28 HG2 ARG 28 25.262 1.515 -0.028
8 HG3 ARG 28 HG1 ARG 28 23.603 2.107 -0.135
9 HD2 ARG 28 HD2 ARG 28 26.011 3.906 0.059
10 HD3 ARG 28 HD1 ARG 28 25.296 3.398 -1.470
11 HE ARG 28 HE ARG 28 23.279 4.506 0.121
12 HH11 ARG 28 HH11 ARG 28 26.171 5.483 -1.560
13 HH12 ARG 28 HH12 ARG 28 25.622 7.104 -1.827
14 HH21 ARG 28 HH21 ARG 28 22.548 6.637 -0.230
15 HH22 ARG 28 HH22 ARG 28 23.563 7.760 -1.071
16 H ARG 29 HN ARG 29 21.745 3.833 0.386
17 HA ARG 29 HA ARG 29 19.850 1.704 1.137
18 HB2 ARG 29 HB2 ARG 29 18.124 3.130 -0.008
19 HB3 ARG 29 HB1 ARG 29 18.797 3.821 1.461
20 HG2 ARG 29 HG2 ARG 29 20.306 5.202 0.077
21 HG3 ARG 29 HG1 ARG 29 19.519 4.559 -1.366
22 HD2 ARG 29 HD2 ARG 29 18.127 6.066 0.842
23 HD3 ARG 29 HD1 ARG 29 18.643 6.768 -0.692
24 HE ARG 29 HE ARG 29 17.055 4.601 -1.329
25 HH11 ARG 29 HH11 ARG 29 16.694 7.605 0.399
26 HH12 ARG 29 HH12 ARG 29 15.014 7.773 0.016
27 HH21 ARG 29 HH21 ARG 29 14.842 4.814 -1.839
28 HH22 ARG 29 HH22 ARG 29 13.960 6.186 -1.255
29 H CYS 30 HN CYS 30 19.533 0.121 -0.282
30 HA CYS 30 HA CYS 30 20.606 0.451 -2.991
31 HB2 CYS 30 HB2 CYS 30 19.862 -2.062 -1.482
32 HB3 CYS 30 HB1 CYS 30 20.542 -2.017 -3.105
33 HG CYS 30 HG CYS 30 22.242 -0.619 -0.506
34 H LEU 31 HN LEU 31 19.332 -1.224 -4.542
35 HA LEU 31 HA LEU 31 16.861 0.015 -5.074
36 HB2 LEU 31 HB2 LEU 31 18.211 -1.041 -6.814
37 HB3 LEU 31 HB1 LEU 31 17.956 -2.613 -6.079
38 HG LEU 31 HG LEU 31 15.511 -2.365 -6.542
39 HD11 LEU 31 HD11 LEU 31 15.422 0.067 -6.680
40 HD12 LEU 31 HD12 LEU 31 14.800 -0.676 -8.153
41 HD13 LEU 31 HD13 LEU 31 16.417 0.027 -8.137
42 HD21 LEU 31 HD21 LEU 31 16.949 -3.672 -8.010
43 HD22 LEU 31 HD22 LEU 31 17.350 -2.221 -8.927
44 HD23 LEU 31 HD23 LEU 31 15.699 -2.840 -8.935
45 H PHE 32 HN PHE 32 17.524 -3.318 -3.986
46 HA PHE 32 HA PHE 32 14.808 -3.931 -3.464
47 HB2 PHE 32 HB2 PHE 32 17.373 -5.213 -2.509
48 HB3 PHE 32 HB1 PHE 32 15.774 -5.876 -2.189
49 HD1 PHE 32 HD1 PHE 32 14.585 -7.077 -3.849
50 HD2 PHE 32 HD2 PHE 32 18.209 -5.076 -4.832
51 HE1 PHE 32 HE1 PHE 32 14.641 -8.250 -6.011
52 HE2 PHE 32 HE2 PHE 32 18.272 -6.245 -6.996
53 HZ PHE 32 HZ PHE 32 16.478 -7.842 -7.584
54 H LEU 33 HN LEU 33 17.380 -2.538 -1.544
55 HA LEU 33 HA LEU 33 16.296 -2.858 1.008
56 HB2 LEU 33 HB2 LEU 33 18.469 -1.479 -0.186
57 HB3 LEU 33 HB1 LEU 33 17.615 -0.330 0.824
58 HG LEU 33 HG LEU 33 17.779 -2.066 2.680
59 HD11 LEU 33 HD11 LEU 33 19.823 -3.216 0.791
60 HD12 LEU 33 HD12 LEU 33 18.318 -3.987 1.291
61 HD13 LEU 33 HD13 LEU 33 19.592 -3.691 2.474
62 HD21 LEU 33 HD21 LEU 33 20.053 -1.393 3.261
63 HD22 LEU 33 HD22 LEU 33 19.125 -0.033 2.627
64 HD23 LEU 33 HD23 LEU 33 20.316 -0.841 1.606
65 H SER 34 HN SER 34 15.886 -0.235 -1.344
66 HA SER 34 HA SER 34 14.075 1.228 0.338
67 HB2 SER 34 HB2 SER 34 15.493 2.403 -1.275
68 HB3 SER 34 HB1 SER 34 14.723 1.536 -2.604
69 HG SER 34 HG SER 34 13.818 3.608 -2.317
70 H LEU 35 HN LEU 35 13.826 -1.334 -1.918
71 HA LEU 35 HA LEU 35 11.158 -0.946 -2.784
72 HB2 LEU 35 HB2 LEU 35 12.839 -2.411 -3.890
73 HB3 LEU 35 HB1 LEU 35 12.688 -3.534 -2.553
74 HG LEU 35 HG LEU 35 10.329 -3.911 -3.125
75 HD11 LEU 35 HD11 LEU 35 9.436 -3.038 -5.240
76 HD12 LEU 35 HD12 LEU 35 10.890 -2.059 -5.438
77 HD13 LEU 35 HD13 LEU 35 9.796 -1.751 -4.089
78 HD21 LEU 35 HD21 LEU 35 10.706 -5.133 -5.209
79 HD22 LEU 35 HD22 LEU 35 12.041 -5.360 -4.079
80 HD23 LEU 35 HD23 LEU 35 12.219 -4.260 -5.448
81 H PHE 36 HN PHE 36 12.471 -1.947 0.188
82 HA PHE 36 HA PHE 36 10.359 -3.656 1.044
83 HB2 PHE 36 HB2 PHE 36 12.629 -3.699 2.038
84 HB3 PHE 36 HB1 PHE 36 12.340 -2.101 2.720
85 HD1 PHE 36 HD1 PHE 36 11.109 -5.597 2.759
86 HD2 PHE 36 HD2 PHE 36 11.285 -1.859 4.786
87 HE1 PHE 36 HE1 PHE 36 10.106 -6.636 4.751
88 HE2 PHE 36 HE2 PHE 36 10.283 -2.891 6.782
89 HZ PHE 36 HZ PHE 36 9.692 -5.282 6.767
90 H SER 37 HN SER 37 10.805 -0.227 0.938
91 HA SER 37 HA SER 37 8.872 0.431 2.935
92 HB2 SER 37 HB2 SER 37 10.004 2.109 0.684
93 HB3 SER 37 HB1 SER 37 9.047 2.725 2.029
94 HG SER 37 HG SER 37 11.691 1.954 1.945
95 H PHE 38 HN PHE 38 8.789 -0.050 -0.547
96 HA PHE 38 HA PHE 38 6.167 0.957 -0.954
97 HB2 PHE 38 HB2 PHE 38 7.742 -1.041 -2.582
98 HB3 PHE 38 HB1 PHE 38 6.273 -0.231 -3.114
99 HD1 PHE 38 HD1 PHE 38 6.316 1.994 -3.936
100 HD2 PHE 38 HD2 PHE 38 9.816 0.258 -2.251
101 HE1 PHE 38 HE1 PHE 38 7.660 3.860 -4.814
102 HE2 PHE 38 HE2 PHE 38 11.166 2.119 -3.125
103 HZ PHE 38 HZ PHE 38 10.075 3.931 -4.412
104 H LEU 39 HN LEU 39 7.436 -2.080 0.139
105 HA LEU 39 HA LEU 39 5.144 -3.660 -0.398
106 HB2 LEU 39 HB2 LEU 39 7.488 -4.476 0.111
107 HB3 LEU 39 HB1 LEU 39 7.155 -4.129 1.797
108 HG LEU 39 HG LEU 39 5.262 -5.879 0.319
109 HD11 LEU 39 HD11 LEU 39 6.637 -7.845 0.803
110 HD12 LEU 39 HD12 LEU 39 7.938 -6.795 1.366
111 HD13 LEU 39 HD13 LEU 39 7.441 -6.756 -0.327
112 HD21 LEU 39 HD21 LEU 39 4.778 -5.228 2.613
113 HD22 LEU 39 HD22 LEU 39 6.338 -5.863 3.136
114 HD23 LEU 39 HD23 LEU 39 5.104 -6.958 2.514
115 H ILE 40 HN ILE 40 6.186 -1.722 2.350
116 HA ILE 40 HA ILE 40 4.085 -2.521 4.095
117 HB ILE 40 HB ILE 40 5.693 0.035 4.167
118 HG12 ILE 40 HG12 ILE 40 6.226 -2.553 5.636
119 HG13 ILE 40 HG11 ILE 40 7.051 -2.087 4.152
120 HG21 ILE 40 HG21 ILE 40 4.131 -1.397 6.313
121 HG22 ILE 40 HG22 ILE 40 3.699 0.132 5.548
122 HG23 ILE 40 HG23 ILE 40 5.140 0.028 6.560
123 HD11 ILE 40 HD11 ILE 40 7.118 -0.557 6.742
124 HD12 ILE 40 HD12 ILE 40 7.977 -0.137 5.260
125 HD13 ILE 40 HD13 ILE 40 8.391 -1.614 6.131
126 H VAL 41 HN VAL 41 4.544 0.195 1.871
127 HA VAL 41 HA VAL 41 2.122 1.515 2.550
128 HB VAL 41 HB VAL 41 4.188 2.487 1.348
129 HG11 VAL 41 HG11 VAL 41 2.688 1.365 -1.006
130 HG12 VAL 41 HG12 VAL 41 4.309 0.922 -0.477
131 HG13 VAL 41 HG13 VAL 41 3.999 2.540 -1.103
132 HG21 VAL 41 HG21 VAL 41 2.798 4.183 0.223
133 HG22 VAL 41 HG22 VAL 41 2.204 3.787 1.838
134 HG23 VAL 41 HG23 VAL 41 1.394 3.132 0.414
135 H LEU 42 HN LEU 42 2.883 -1.172 0.557
136 HA LEU 42 HA LEU 42 0.551 -0.986 -1.119
137 HB2 LEU 42 HB2 LEU 42 2.748 -2.084 -1.743
138 HB3 LEU 42 HB1 LEU 42 2.301 -3.399 -0.665
139 HG LEU 42 HG LEU 42 0.470 -2.598 -2.904
140 HD11 LEU 42 HD11 LEU 42 1.571 -4.248 -4.337
141 HD12 LEU 42 HD12 LEU 42 2.832 -4.460 -3.121
142 HD13 LEU 42 HD13 LEU 42 2.648 -2.909 -3.940
143 HD21 LEU 42 HD21 LEU 42 0.999 -5.172 -1.422
144 HD22 LEU 42 HD22 LEU 42 -0.114 -5.002 -2.779
145 HD23 LEU 42 HD23 LEU 42 -0.421 -4.136 -1.273
146 H LEU 43 HN LEU 43 1.572 -3.098 1.561
147 HA LEU 43 HA LEU 43 -0.659 -4.707 1.752
148 HB2 LEU 43 HB2 LEU 43 1.084 -3.629 3.965
149 HB3 LEU 43 HB1 LEU 43 -0.083 -4.920 4.174
150 HG LEU 43 HG LEU 43 2.289 -5.049 2.311
151 HD11 LEU 43 HD11 LEU 43 3.253 -6.575 3.961
152 HD12 LEU 43 HD12 LEU 43 1.892 -6.267 5.041
153 HD13 LEU 43 HD13 LEU 43 3.009 -4.964 4.635
154 HD21 LEU 43 HD21 LEU 43 0.319 -7.150 3.207
155 HD22 LEU 43 HD22 LEU 43 1.751 -7.443 2.222
156 HD23 LEU 43 HD23 LEU 43 0.437 -6.449 1.593
157 H LEU 44 HN LEU 44 -0.237 -1.415 2.924
158 HA LEU 44 HA LEU 44 -2.732 -1.437 4.376
159 HB2 LEU 44 HB2 LEU 44 -0.870 0.833 3.683
160 HB3 LEU 44 HB1 LEU 44 -2.273 0.972 4.723
161 HG LEU 44 HG LEU 44 0.183 -0.697 5.277
162 HD11 LEU 44 HD11 LEU 44 0.536 0.910 7.102
163 HD12 LEU 44 HD12 LEU 44 -0.837 1.851 6.521
164 HD13 LEU 44 HD13 LEU 44 0.600 1.677 5.516
165 HD21 LEU 44 HD21 LEU 44 -2.284 -0.236 6.953
166 HD22 LEU 44 HD22 LEU 44 -0.829 -1.086 7.472
167 HD23 LEU 44 HD23 LEU 44 -1.823 -1.750 6.176
168 H THR 45 HN THR 45 -1.524 0.088 1.393
169 HA THR 45 HA THR 45 -3.818 1.517 0.731
170 HB THR 45 HB THR 45 -3.034 1.239 -1.679
171 HG1 THR 45 HG1 THR 45 -0.624 0.485 -1.411
172 HG21 THR 45 HG21 THR 45 -2.429 3.185 -0.379
173 HG22 THR 45 HG22 THR 45 -1.028 2.652 -1.309
174 HG23 THR 45 HG23 THR 45 -1.132 2.294 0.415
175 H THR 46 HN THR 46 -3.240 -1.887 0.592
176 HA THR 46 HA THR 46 -5.045 -2.647 -1.403
177 HB THR 46 HB THR 46 -4.412 -4.174 1.131
178 HG1 THR 46 HG1 THR 46 -3.085 -5.142 -0.919
179 HG21 THR 46 HG21 THR 46 -6.378 -5.018 -0.107
180 HG22 THR 46 HG22 THR 46 -5.025 -6.150 -0.149
181 HG23 THR 46 HG23 THR 46 -5.383 -5.152 -1.558
182 H LEU 47 HN LEU 47 -5.609 -2.625 2.127
183 HA LEU 47 HA LEU 47 -8.449 -2.910 1.761
184 HB2 LEU 47 HB2 LEU 47 -6.696 -2.531 4.173
185 HB3 LEU 47 HB1 LEU 47 -8.443 -2.526 4.294
186 HG LEU 47 HG LEU 47 -7.589 -4.702 4.894
187 HD11 LEU 47 HD11 LEU 47 -9.729 -4.634 3.739
188 HD12 LEU 47 HD12 LEU 47 -8.840 -6.101 3.330
189 HD13 LEU 47 HD13 LEU 47 -8.907 -4.762 2.184
190 HD21 LEU 47 HD21 LEU 47 -5.478 -4.597 3.655
191 HD22 LEU 47 HD22 LEU 47 -6.361 -4.794 2.142
192 HD23 LEU 47 HD23 LEU 47 -6.354 -6.094 3.333
193 H PHE 48 HN PHE 48 -6.266 -0.320 2.789
194 HA PHE 48 HA PHE 48 -8.128 1.579 3.561
195 HB2 PHE 48 HB2 PHE 48 -5.679 1.792 3.862
196 HB3 PHE 48 HB1 PHE 48 -5.507 2.087 2.136
197 HD1 PHE 48 HD1 PHE 48 -6.023 4.213 1.186
198 HD2 PHE 48 HD2 PHE 48 -6.763 3.453 5.307
199 HE1 PHE 48 HE1 PHE 48 -6.368 6.620 1.565
200 HE2 PHE 48 HE2 PHE 48 -7.110 5.858 5.693
201 HZ PHE 48 HZ PHE 48 -6.890 7.448 3.823
202 H CYS 49 HN CYS 49 -7.234 0.546 0.349
203 HA CYS 49 HA CYS 49 -8.488 2.795 -0.957
204 HB2 CYS 49 HB2 CYS 49 -6.577 1.704 -2.011
205 HB3 CYS 49 HB1 CYS 49 -7.456 0.181 -2.074
206 HG CYS 49 HG CYS 49 -7.549 0.967 -4.645
207 H LEU 50 HN LEU 50 -9.222 -0.662 -0.576
208 HA LEU 50 HA LEU 50 -11.601 -0.721 -2.026
209 HB2 LEU 50 HB2 LEU 50 -10.915 -2.358 0.420
210 HB3 LEU 50 HB1 LEU 50 -12.112 -2.766 -0.808
211 HG LEU 50 HG LEU 50 -9.186 -2.456 -1.456
212 HD11 LEU 50 HD11 LEU 50 -8.942 -4.847 -1.278
213 HD12 LEU 50 HD12 LEU 50 -10.628 -5.015 -0.786
214 HD13 LEU 50 HD13 LEU 50 -9.479 -4.196 0.272
215 HD21 LEU 50 HD21 LEU 50 -10.745 -2.319 -3.328
216 HD22 LEU 50 HD22 LEU 50 -11.448 -3.867 -2.859
217 HD23 LEU 50 HD23 LEU 50 -9.774 -3.789 -3.407
218 H LEU 51 HN LEU 51 -10.947 0.446 1.187
219 HA LEU 51 HA LEU 51 -13.710 0.511 1.998
220 HB2 LEU 51 HB2 LEU 51 -11.262 1.787 3.219
221 HB3 LEU 51 HB1 LEU 51 -12.850 1.748 3.960
222 HG LEU 51 HG LEU 51 -11.240 -0.714 3.286
223 HD11 LEU 51 HD11 LEU 51 -11.592 0.694 5.929
224 HD12 LEU 51 HD12 LEU 51 -10.103 0.609 4.985
225 HD13 LEU 51 HD13 LEU 51 -10.790 -0.859 5.683
226 HD21 LEU 51 HD21 LEU 51 -12.849 -1.838 4.752
227 HD22 LEU 51 HD22 LEU 51 -13.643 -1.097 3.362
228 HD23 LEU 51 HD23 LEU 51 -13.730 -0.322 4.944
229 H HIS 52 HN HIS 52 -11.487 2.668 0.423
230 HA HIS 52 HA HIS 52 -13.067 5.030 0.904
231 HB2 HIS 52 HB2 HIS 52 -10.605 5.127 0.650
232 HB3 HIS 52 HB1 HIS 52 -10.774 4.610 -1.023
233 HD1 HIS 52 HD1 HIS 52 -10.861 6.451 -2.671
234 HD2 HIS 52 HD2 HIS 52 -12.060 7.701 1.106
235 HE1 HIS 52 HE1 HIS 52 -11.271 8.924 -2.879
236 HE2 HIS 52 HE2 HIS 52 -12.054 9.647 -0.597
237 H PHE 53 HN PHE 53 -12.295 3.078 -1.984
238 HA PHE 53 HA PHE 53 -14.070 4.500 -3.679
239 HB2 PHE 53 HB2 PHE 53 -12.556 1.927 -3.902
240 HB3 PHE 53 HB1 PHE 53 -13.784 2.321 -5.101
241 HD1 PHE 53 HD1 PHE 53 -13.481 4.159 -6.638
242 HD2 PHE 53 HD2 PHE 53 -10.500 3.191 -3.759
243 HE1 PHE 53 HE1 PHE 53 -11.859 5.548 -7.857
244 HE2 PHE 53 HE2 PHE 53 -8.872 4.580 -4.973
245 HZ PHE 53 HZ PHE 53 -9.551 5.762 -7.024
246 H GLY 54 HN GLY 54 -14.510 1.870 -1.463
247 HA2 GLY 54 HA2 GLY 54 -16.447 0.853 -0.739
248 HA3 GLY 54 HA1 GLY 54 -17.346 2.017 -1.701
249 H VAL 55 HN VAL 55 -14.907 -0.023 -3.101
250 HA VAL 55 HA VAL 55 -16.122 -0.909 -5.293
251 HB VAL 55 HB VAL 55 -13.886 -1.568 -4.908
252 HG11 VAL 55 HG11 VAL 55 -14.827 -3.334 -2.666
253 HG12 VAL 55 HG12 VAL 55 -14.086 -1.752 -2.450
254 HG13 VAL 55 HG13 VAL 55 -13.164 -3.067 -3.181
255 HG21 VAL 55 HG21 VAL 55 -15.143 -3.085 -6.348
256 HG22 VAL 55 HG22 VAL 55 -15.585 -4.061 -4.946
257 HG23 VAL 55 HG23 VAL 55 -13.898 -3.953 -5.448
258 H ILE 56 HN ILE 56 -16.579 -2.448 -2.132
259 HA ILE 56 HA ILE 56 -19.147 -3.450 -3.063
260 HB ILE 56 HB ILE 56 -18.378 -5.660 -1.706
261 HG12 ILE 56 HG12 ILE 56 -16.173 -6.346 -2.681
262 HG13 ILE 56 HG11 ILE 56 -15.950 -4.691 -3.231
263 HG21 ILE 56 HG21 ILE 56 -19.564 -5.611 -3.819
264 HG22 ILE 56 HG22 ILE 56 -18.213 -6.741 -3.902
265 HG23 ILE 56 HG23 ILE 56 -18.083 -5.156 -4.663
266 HD11 ILE 56 HD11 ILE 56 -16.236 -5.557 -0.364
267 HD12 ILE 56 HD12 ILE 56 -15.959 -3.910 -0.936
268 HD13 ILE 56 HD13 ILE 56 -14.725 -5.147 -1.178
269 H GLY 57 HN GLY 57 -20.173 -2.098 -1.644
270 HA2 GLY 57 HA2 GLY 57 -20.973 -2.952 0.793
271 HA3 GLY 57 HA1 GLY 57 -19.487 -2.091 1.164
272 HA PRO 58 HA PRO 58 -22.393 1.343 -0.413
273 HB2 PRO 58 HB2 PRO 58 -24.771 0.777 -1.502
274 HB3 PRO 58 HB1 PRO 58 -23.277 0.646 -2.439
275 HG2 PRO 58 HG2 PRO 58 -24.886 -1.509 -1.127
276 HG3 PRO 58 HG1 PRO 58 -24.115 -1.502 -2.723
277 HD2 PRO 58 HD2 PRO 58 -23.039 -2.692 -0.488
278 HD3 PRO 58 HD1 PRO 58 -22.089 -2.126 -1.874
279 H GLN 59 HN GLN 59 -22.386 1.150 2.044
280 HA GLN 59 HA GLN 59 -24.650 0.241 3.442
281 HB2 GLN 59 HB2 GLN 59 -22.393 0.726 4.435
282 HB3 GLN 59 HB1 GLN 59 -22.770 2.438 4.306
283 HG2 GLN 59 HG2 GLN 59 -24.565 0.567 5.802
284 HG3 GLN 59 HG1 GLN 59 -23.130 1.262 6.554
285 HE21 GLN 59 HE21 GLN 59 -25.990 1.617 7.143
286 HE22 GLN 59 HE22 GLN 59 -26.274 3.319 7.064
287 H ARG 60 HN ARG 60 -24.004 3.143 1.716
288 HA ARG 60 HA ARG 60 -26.179 4.631 2.898
289 HB2 ARG 60 HB2 ARG 60 -24.293 5.191 0.614
290 HB3 ARG 60 HB1 ARG 60 -25.638 6.256 0.993
291 HG2 ARG 60 HG2 ARG 60 -23.748 7.190 2.034
292 HG3 ARG 60 HG1 ARG 60 -24.688 6.436 3.321
293 HD2 ARG 60 HD2 ARG 60 -22.325 5.956 3.600
294 HD3 ARG 60 HD1 ARG 60 -23.213 4.478 3.237
295 HE ARG 60 HE ARG 60 -22.239 5.562 0.841
296 HH11 ARG 60 HH11 ARG 60 -21.077 4.040 3.752
297 HH12 ARG 60 HH12 ARG 60 -19.676 3.363 2.991
298 HH21 ARG 60 HH21 ARG 60 -20.397 4.674 -0.167
299 HH22 ARG 60 HH22 ARG 60 -19.291 3.721 0.765
Start of MODEL 15
1 H1 ARG 28 HT1 ARG 28 20.183 9.269 -3.350
2 H2 ARG 28 HT2 ARG 28 19.196 7.896 -3.312
3 H3 ARG 28 HT3 ARG 28 20.719 7.862 -2.578
4 HA ARG 28 HA ARG 28 20.032 9.489 -0.959
5 HB2 ARG 28 HB2 ARG 28 18.399 10.624 -2.448
6 HB3 ARG 28 HB1 ARG 28 17.319 9.247 -2.279
7 HG2 ARG 28 HG2 ARG 28 16.607 11.037 -0.831
8 HG3 ARG 28 HG1 ARG 28 17.180 9.678 0.139
9 HD2 ARG 28 HD2 ARG 28 19.269 10.785 0.558
10 HD3 ARG 28 HD1 ARG 28 18.857 12.083 -0.562
11 HE ARG 28 HE ARG 28 16.980 12.563 1.068
12 HH11 ARG 28 HH11 ARG 28 20.000 11.120 2.047
13 HH12 ARG 28 HH12 ARG 28 19.920 11.743 3.661
14 HH21 ARG 28 HH21 ARG 28 16.873 13.391 3.190
15 HH22 ARG 28 HH22 ARG 28 18.145 13.034 4.310
16 H ARG 29 HN ARG 29 17.845 6.959 -2.180
17 HA ARG 29 HA ARG 29 17.788 5.795 0.521
18 HB2 ARG 29 HB2 ARG 29 15.912 5.325 -1.805
19 HB3 ARG 29 HB1 ARG 29 15.756 4.623 -0.200
20 HG2 ARG 29 HG2 ARG 29 15.431 6.838 0.754
21 HG3 ARG 29 HG1 ARG 29 15.618 7.561 -0.845
22 HD2 ARG 29 HD2 ARG 29 13.656 6.296 -1.622
23 HD3 ARG 29 HD1 ARG 29 13.458 5.634 0.001
24 HE ARG 29 HE ARG 29 13.464 8.358 0.327
25 HH11 ARG 29 HH11 ARG 29 11.570 6.062 -1.485
26 HH12 ARG 29 HH12 ARG 29 10.125 7.013 -1.426
27 HH21 ARG 29 HH21 ARG 29 11.568 9.619 0.407
28 HH22 ARG 29 HH22 ARG 29 10.123 9.035 -0.351
29 H CYS 30 HN CYS 30 18.236 3.619 0.839
30 HA CYS 30 HA CYS 30 20.049 2.463 -1.074
31 HB2 CYS 30 HB2 CYS 30 20.438 2.356 1.383
32 HB3 CYS 30 HB1 CYS 30 19.037 1.299 1.526
33 HG CYS 30 HG CYS 30 21.600 0.402 -0.522
34 H LEU 31 HN LEU 31 19.857 0.097 -1.630
35 HA LEU 31 HA LEU 31 17.625 -0.380 -3.193
36 HB2 LEU 31 HB2 LEU 31 19.507 -2.391 -1.957
37 HB3 LEU 31 HB1 LEU 31 18.385 -2.742 -3.256
38 HG LEU 31 HG LEU 31 20.638 -0.742 -3.453
39 HD11 LEU 31 HD11 LEU 31 21.533 -2.978 -3.186
40 HD12 LEU 31 HD12 LEU 31 21.745 -2.430 -4.849
41 HD13 LEU 31 HD13 LEU 31 20.467 -3.580 -4.454
42 HD21 LEU 31 HD21 LEU 31 20.170 -0.835 -5.851
43 HD22 LEU 31 HD22 LEU 31 18.763 -0.277 -4.946
44 HD23 LEU 31 HD23 LEU 31 18.823 -1.933 -5.549
45 H PHE 32 HN PHE 32 18.384 -1.933 -0.070
46 HA PHE 32 HA PHE 32 15.850 -3.184 0.165
47 HB2 PHE 32 HB2 PHE 32 17.866 -2.556 2.332
48 HB3 PHE 32 HB1 PHE 32 16.537 -3.705 2.457
49 HD1 PHE 32 HD1 PHE 32 16.625 -5.841 1.313
50 HD2 PHE 32 HD2 PHE 32 19.851 -3.076 1.070
51 HE1 PHE 32 HE1 PHE 32 18.082 -7.623 0.444
52 HE2 PHE 32 HE2 PHE 32 21.314 -4.852 0.200
53 HZ PHE 32 HZ PHE 32 20.428 -7.128 -0.118
54 H LEU 33 HN LEU 33 17.054 -0.043 0.985
55 HA LEU 33 HA LEU 33 15.176 0.691 2.942
56 HB2 LEU 33 HB2 LEU 33 17.256 1.942 1.416
57 HB3 LEU 33 HB1 LEU 33 15.847 2.983 1.434
58 HG LEU 33 HG LEU 33 15.836 2.773 3.941
59 HD11 LEU 33 HD11 LEU 33 17.133 0.725 4.133
60 HD12 LEU 33 HD12 LEU 33 17.903 2.040 5.021
61 HD13 LEU 33 HD13 LEU 33 18.543 1.541 3.456
62 HD21 LEU 33 HD21 LEU 33 18.296 3.966 2.671
63 HD22 LEU 33 HD22 LEU 33 17.650 4.375 4.260
64 HD23 LEU 33 HD23 LEU 33 16.719 4.744 2.808
65 H SER 34 HN SER 34 15.159 1.149 -0.585
66 HA SER 34 HA SER 34 12.615 2.437 -0.617
67 HB2 SER 34 HB2 SER 34 12.750 2.148 -3.070
68 HB3 SER 34 HB1 SER 34 14.239 2.819 -2.405
69 HG SER 34 HG SER 34 14.593 0.255 -2.337
70 H LEU 35 HN LEU 35 13.708 -0.881 -0.942
71 HA LEU 35 HA LEU 35 11.230 -1.926 -1.880
72 HB2 LEU 35 HB2 LEU 35 13.429 -3.040 -2.181
73 HB3 LEU 35 HB1 LEU 35 13.459 -3.372 -0.459
74 HG LEU 35 HG LEU 35 11.419 -4.751 -0.709
75 HD11 LEU 35 HD11 LEU 35 10.454 -3.680 -2.661
76 HD12 LEU 35 HD12 LEU 35 10.695 -5.401 -2.962
77 HD13 LEU 35 HD13 LEU 35 11.809 -4.220 -3.652
78 HD21 LEU 35 HD21 LEU 35 13.718 -5.513 -2.502
79 HD22 LEU 35 HD22 LEU 35 12.504 -6.620 -1.861
80 HD23 LEU 35 HD23 LEU 35 13.612 -5.794 -0.765
81 H PHE 36 HN PHE 36 12.345 -0.911 1.173
82 HA PHE 36 HA PHE 36 10.658 -2.620 2.750
83 HB2 PHE 36 HB2 PHE 36 12.766 -1.679 3.636
84 HB3 PHE 36 HB1 PHE 36 12.081 -0.062 3.519
85 HD1 PHE 36 HD1 PHE 36 11.713 -3.332 5.205
86 HD2 PHE 36 HD2 PHE 36 10.731 0.808 5.226
87 HE1 PHE 36 HE1 PHE 36 10.786 -3.568 7.473
88 HE2 PHE 36 HE2 PHE 36 9.805 0.581 7.494
89 HZ PHE 36 HZ PHE 36 9.821 -1.610 8.616
90 H SER 37 HN SER 37 10.243 0.296 1.004
91 HA SER 37 HA SER 37 7.928 1.137 2.554
92 HB2 SER 37 HB2 SER 37 9.377 2.901 1.767
93 HB3 SER 37 HB1 SER 37 9.249 2.324 0.107
94 HG SER 37 HG SER 37 7.427 3.757 1.649
95 H PHE 38 HN PHE 38 8.679 -0.383 -0.514
96 HA PHE 38 HA PHE 38 6.165 -0.115 -1.745
97 HB2 PHE 38 HB2 PHE 38 8.126 -2.382 -2.060
98 HB3 PHE 38 HB1 PHE 38 6.854 -1.939 -3.193
99 HD1 PHE 38 HD1 PHE 38 7.272 1.080 -2.990
100 HD2 PHE 38 HD2 PHE 38 9.973 -2.160 -3.555
101 HE1 PHE 38 HE1 PHE 38 8.824 2.583 -4.163
102 HE2 PHE 38 HE2 PHE 38 11.529 -0.662 -4.731
103 HZ PHE 38 HZ PHE 38 10.965 1.693 -5.049
104 H LEU 39 HN LEU 39 7.522 -3.069 -0.335
105 HA LEU 39 HA LEU 39 5.318 -4.658 -0.346
106 HB2 LEU 39 HB2 LEU 39 7.678 -5.206 0.377
107 HB3 LEU 39 HB1 LEU 39 7.239 -4.587 1.959
108 HG LEU 39 HG LEU 39 5.334 -6.270 1.920
109 HD11 LEU 39 HD11 LEU 39 5.381 -6.778 -0.456
110 HD12 LEU 39 HD12 LEU 39 5.674 -8.232 0.499
111 HD13 LEU 39 HD13 LEU 39 7.017 -7.416 -0.300
112 HD21 LEU 39 HD21 LEU 39 7.273 -6.530 3.337
113 HD22 LEU 39 HD22 LEU 39 8.195 -7.207 1.996
114 HD23 LEU 39 HD23 LEU 39 6.822 -8.094 2.658
115 H ILE 40 HN ILE 40 6.069 -2.147 2.021
116 HA ILE 40 HA ILE 40 3.851 -2.861 3.720
117 HB ILE 40 HB ILE 40 5.597 -0.396 3.758
118 HG12 ILE 40 HG12 ILE 40 5.700 -2.925 5.424
119 HG13 ILE 40 HG11 ILE 40 6.832 -2.500 4.144
120 HG21 ILE 40 HG21 ILE 40 3.652 -1.456 5.808
121 HG22 ILE 40 HG22 ILE 40 3.459 0.006 4.841
122 HG23 ILE 40 HG23 ILE 40 4.744 -0.091 6.044
123 HD11 ILE 40 HD11 ILE 40 7.558 -0.558 5.437
124 HD12 ILE 40 HD12 ILE 40 7.780 -2.063 6.329
125 HD13 ILE 40 HD13 ILE 40 6.431 -0.997 6.721
126 H VAL 41 HN VAL 41 4.543 -0.345 1.332
127 HA VAL 41 HA VAL 41 2.122 1.088 1.761
128 HB VAL 41 HB VAL 41 4.289 1.943 0.667
129 HG11 VAL 41 HG11 VAL 41 2.950 0.786 -1.765
130 HG12 VAL 41 HG12 VAL 41 4.443 0.206 -1.034
131 HG13 VAL 41 HG13 VAL 41 4.383 1.815 -1.747
132 HG21 VAL 41 HG21 VAL 41 3.048 3.600 -0.643
133 HG22 VAL 41 HG22 VAL 41 2.274 3.289 0.911
134 HG23 VAL 41 HG23 VAL 41 1.610 2.584 -0.563
135 H LEU 42 HN LEU 42 2.881 -1.784 0.083
136 HA LEU 42 HA LEU 42 0.668 -1.613 -1.772
137 HB2 LEU 42 HB2 LEU 42 2.625 -3.812 -1.112
138 HB3 LEU 42 HB1 LEU 42 1.314 -4.010 -2.271
139 HG LEU 42 HG LEU 42 3.537 -1.974 -2.509
140 HD11 LEU 42 HD11 LEU 42 3.129 -4.595 -3.942
141 HD12 LEU 42 HD12 LEU 42 4.385 -4.241 -2.756
142 HD13 LEU 42 HD13 LEU 42 4.376 -3.401 -4.307
143 HD21 LEU 42 HD21 LEU 42 2.687 -1.694 -4.794
144 HD22 LEU 42 HD22 LEU 42 1.483 -1.248 -3.586
145 HD23 LEU 42 HD23 LEU 42 1.357 -2.793 -4.426
146 H LEU 43 HN LEU 43 1.490 -3.506 1.125
147 HA LEU 43 HA LEU 43 -0.865 -5.014 1.248
148 HB2 LEU 43 HB2 LEU 43 1.303 -5.269 2.591
149 HB3 LEU 43 HB1 LEU 43 0.660 -4.039 3.657
150 HG LEU 43 HG LEU 43 0.373 -6.418 4.430
151 HD11 LEU 43 HD11 LEU 43 -1.787 -6.060 5.358
152 HD12 LEU 43 HD12 LEU 43 -2.224 -4.946 4.065
153 HD13 LEU 43 HD13 LEU 43 -0.991 -4.491 5.241
154 HD21 LEU 43 HD21 LEU 43 -0.166 -7.407 2.259
155 HD22 LEU 43 HD22 LEU 43 -1.678 -6.501 2.221
156 HD23 LEU 43 HD23 LEU 43 -1.421 -7.737 3.453
157 H LEU 44 HN LEU 44 -0.093 -1.805 2.486
158 HA LEU 44 HA LEU 44 -2.503 -1.448 3.941
159 HB2 LEU 44 HB2 LEU 44 -0.526 0.542 2.836
160 HB3 LEU 44 HB1 LEU 44 -1.869 0.974 3.876
161 HG LEU 44 HG LEU 44 0.382 -0.882 4.652
162 HD11 LEU 44 HD11 LEU 44 1.177 1.394 4.372
163 HD12 LEU 44 HD12 LEU 44 1.118 0.968 6.082
164 HD13 LEU 44 HD13 LEU 44 -0.135 1.996 5.385
165 HD21 LEU 44 HD21 LEU 44 -1.691 -1.388 5.817
166 HD22 LEU 44 HD22 LEU 44 -1.875 0.309 6.263
167 HD23 LEU 44 HD23 LEU 44 -0.535 -0.635 6.915
168 H THR 45 HN THR 45 -1.466 -0.341 0.718
169 HA THR 45 HA THR 45 -3.718 1.133 0.044
170 HB THR 45 HB THR 45 -3.136 0.454 -2.371
171 HG1 THR 45 HG1 THR 45 -0.739 -0.307 -2.164
172 HG21 THR 45 HG21 THR 45 -1.076 1.764 -0.594
173 HG22 THR 45 HG22 THR 45 -2.427 2.560 -1.401
174 HG23 THR 45 HG23 THR 45 -1.112 1.871 -2.355
175 H THR 46 HN THR 46 -3.385 -2.297 0.306
176 HA THR 46 HA THR 46 -5.398 -3.135 -1.462
177 HB THR 46 HB THR 46 -4.597 -4.432 1.151
178 HG1 THR 46 HG1 THR 46 -3.515 -4.475 -1.456
179 HG21 THR 46 HG21 THR 46 -5.890 -5.652 -1.290
180 HG22 THR 46 HG22 THR 46 -6.752 -5.227 0.188
181 HG23 THR 46 HG23 THR 46 -5.500 -6.470 0.224
182 H LEU 47 HN LEU 47 -5.633 -2.737 2.084
183 HA LEU 47 HA LEU 47 -8.514 -2.830 1.969
184 HB2 LEU 47 HB2 LEU 47 -6.560 -2.392 4.221
185 HB3 LEU 47 HB1 LEU 47 -8.295 -2.334 4.451
186 HG LEU 47 HG LEU 47 -7.487 -4.489 5.141
187 HD11 LEU 47 HD11 LEU 47 -9.661 -4.415 4.010
188 HD12 LEU 47 HD12 LEU 47 -8.834 -5.953 3.762
189 HD13 LEU 47 HD13 LEU 47 -8.864 -4.750 2.473
190 HD21 LEU 47 HD21 LEU 47 -6.330 -6.009 3.641
191 HD22 LEU 47 HD22 LEU 47 -5.412 -4.515 3.837
192 HD23 LEU 47 HD23 LEU 47 -6.346 -4.790 2.366
193 H PHE 48 HN PHE 48 -6.030 -0.402 2.213
194 HA PHE 48 HA PHE 48 -7.563 1.753 3.141
195 HB2 PHE 48 HB2 PHE 48 -5.142 1.861 3.100
196 HB3 PHE 48 HB1 PHE 48 -5.127 1.719 1.346
197 HD1 PHE 48 HD1 PHE 48 -5.398 3.611 -0.034
198 HD2 PHE 48 HD2 PHE 48 -6.052 3.924 4.159
199 HE1 PHE 48 HE1 PHE 48 -5.467 6.064 -0.231
200 HE2 PHE 48 HE2 PHE 48 -6.125 6.376 3.970
201 HZ PHE 48 HZ PHE 48 -5.832 7.448 1.772
202 H CYS 49 HN CYS 49 -7.062 0.482 -0.110
203 HA CYS 49 HA CYS 49 -8.428 2.632 -1.409
204 HB2 CYS 49 HB2 CYS 49 -6.740 1.293 -2.586
205 HB3 CYS 49 HB1 CYS 49 -7.753 -0.138 -2.423
206 HG CYS 49 HG CYS 49 -7.806 2.212 -4.739
207 H LEU 50 HN LEU 50 -9.333 -0.553 -0.227
208 HA LEU 50 HA LEU 50 -11.898 -0.655 -1.415
209 HB2 LEU 50 HB2 LEU 50 -10.928 -1.963 1.133
210 HB3 LEU 50 HB1 LEU 50 -12.375 -2.409 0.236
211 HG LEU 50 HG LEU 50 -9.640 -2.546 -1.012
212 HD11 LEU 50 HD11 LEU 50 -9.401 -4.799 -0.352
213 HD12 LEU 50 HD12 LEU 50 -11.038 -4.859 0.305
214 HD13 LEU 50 HD13 LEU 50 -9.795 -3.904 1.116
215 HD21 LEU 50 HD21 LEU 50 -12.248 -3.933 -1.611
216 HD22 LEU 50 HD22 LEU 50 -10.735 -4.149 -2.491
217 HD23 LEU 50 HD23 LEU 50 -11.557 -2.589 -2.518
218 H LEU 51 HN LEU 51 -10.671 0.739 1.548
219 HA LEU 51 HA LEU 51 -13.277 1.362 2.604
220 HB2 LEU 51 HB2 LEU 51 -10.515 2.278 3.410
221 HB3 LEU 51 HB1 LEU 51 -11.982 2.646 4.299
222 HG LEU 51 HG LEU 51 -10.919 -0.141 3.829
223 HD11 LEU 51 HD11 LEU 51 -10.791 1.601 6.286
224 HD12 LEU 51 HD12 LEU 51 -9.427 1.128 5.272
225 HD13 LEU 51 HD13 LEU 51 -10.304 -0.092 6.196
226 HD21 LEU 51 HD21 LEU 51 -13.142 0.873 5.598
227 HD22 LEU 51 HD22 LEU 51 -12.567 -0.792 5.510
228 HD23 LEU 51 HD23 LEU 51 -13.342 -0.052 4.109
229 H HIS 52 HN HIS 52 -10.770 2.996 0.781
230 HA HIS 52 HA HIS 52 -11.950 5.599 0.995
231 HB2 HIS 52 HB2 HIS 52 -9.547 5.356 0.652
232 HB3 HIS 52 HB1 HIS 52 -9.826 4.528 -0.875
233 HD1 HIS 52 HD1 HIS 52 -9.824 7.921 0.687
234 HD2 HIS 52 HD2 HIS 52 -10.493 6.191 -3.033
235 HE1 HIS 52 HE1 HIS 52 -9.853 9.831 -0.948
236 HE2 HIS 52 HE2 HIS 52 -10.140 8.747 -3.204
237 H PHE 53 HN PHE 53 -12.274 2.883 -1.149
238 HA PHE 53 HA PHE 53 -13.651 4.447 -3.176
239 HB2 PHE 53 HB2 PHE 53 -12.120 2.584 -3.805
240 HB3 PHE 53 HB1 PHE 53 -13.228 1.455 -3.035
241 HD1 PHE 53 HD1 PHE 53 -15.234 0.763 -4.112
242 HD2 PHE 53 HD2 PHE 53 -12.794 3.790 -5.845
243 HE1 PHE 53 HE1 PHE 53 -16.501 0.577 -6.212
244 HE2 PHE 53 HE2 PHE 53 -14.058 3.610 -7.948
245 HZ PHE 53 HZ PHE 53 -15.914 2.002 -8.134
246 H GLY 54 HN GLY 54 -14.369 2.399 -0.471
247 HA2 GLY 54 HA2 GLY 54 -16.384 2.124 0.634
248 HA3 GLY 54 HA1 GLY 54 -17.142 3.152 -0.572
249 H VAL 55 HN VAL 55 -15.303 0.339 -1.489
250 HA VAL 55 HA VAL 55 -17.169 -0.757 -3.163
251 HB VAL 55 HB VAL 55 -14.944 -1.575 -3.250
252 HG11 VAL 55 HG11 VAL 55 -15.356 -2.416 -0.406
253 HG12 VAL 55 HG12 VAL 55 -14.160 -1.298 -1.050
254 HG13 VAL 55 HG13 VAL 55 -14.035 -3.021 -1.400
255 HG21 VAL 55 HG21 VAL 55 -16.698 -3.813 -2.249
256 HG22 VAL 55 HG22 VAL 55 -15.246 -3.990 -3.236
257 HG23 VAL 55 HG23 VAL 55 -16.671 -3.187 -3.897
258 H ILE 56 HN ILE 56 -16.801 -1.331 0.288
259 HA ILE 56 HA ILE 56 -19.537 -2.315 0.394
260 HB ILE 56 HB ILE 56 -18.461 -4.113 2.087
261 HG12 ILE 56 HG12 ILE 56 -16.598 -5.243 0.861
262 HG13 ILE 56 HG11 ILE 56 -16.514 -3.851 -0.212
263 HG21 ILE 56 HG21 ILE 56 -18.909 -5.787 0.357
264 HG22 ILE 56 HG22 ILE 56 -18.943 -4.513 -0.862
265 HG23 ILE 56 HG23 ILE 56 -20.166 -4.550 0.409
266 HD11 ILE 56 HD11 ILE 56 -16.051 -3.790 2.761
267 HD12 ILE 56 HD12 ILE 56 -15.911 -2.426 1.652
268 HD13 ILE 56 HD13 ILE 56 -14.798 -3.786 1.518
269 H GLY 57 HN GLY 57 -17.420 -0.231 1.516
270 HA2 GLY 57 HA2 GLY 57 -18.877 0.412 3.841
271 HA3 GLY 57 HA1 GLY 57 -17.412 -0.442 4.303
272 HA PRO 58 HA PRO 58 -16.143 3.758 2.098
273 HB2 PRO 58 HB2 PRO 58 -18.526 5.367 2.795
274 HB3 PRO 58 HB1 PRO 58 -17.601 5.321 1.291
275 HG2 PRO 58 HG2 PRO 58 -20.038 4.232 1.455
276 HG3 PRO 58 HG1 PRO 58 -18.758 3.492 0.478
277 HD2 PRO 58 HD2 PRO 58 -19.770 2.712 3.185
278 HD3 PRO 58 HD1 PRO 58 -19.292 1.681 1.819
279 H GLN 59 HN GLN 59 -14.809 3.556 3.952
280 HA GLN 59 HA GLN 59 -15.658 4.534 6.509
281 HB2 GLN 59 HB2 GLN 59 -13.921 2.739 6.117
282 HB3 GLN 59 HB1 GLN 59 -12.828 4.015 5.600
283 HG2 GLN 59 HG2 GLN 59 -12.405 3.418 7.901
284 HG3 GLN 59 HG1 GLN 59 -13.019 5.068 7.798
285 HE21 GLN 59 HE21 GLN 59 -13.708 1.800 8.769
286 HE22 GLN 59 HE22 GLN 59 -15.098 2.163 9.729
287 H ARG 60 HN ARG 60 -14.708 6.042 3.686
288 HA ARG 60 HA ARG 60 -13.882 8.457 5.160
289 HB2 ARG 60 HB2 ARG 60 -12.059 7.480 3.792
290 HB3 ARG 60 HB1 ARG 60 -13.063 7.660 2.361
291 HG2 ARG 60 HG2 ARG 60 -13.056 10.074 2.634
292 HG3 ARG 60 HG1 ARG 60 -12.095 9.915 4.107
293 HD2 ARG 60 HD2 ARG 60 -10.312 8.838 2.775
294 HD3 ARG 60 HD1 ARG 60 -11.264 9.116 1.319
295 HE ARG 60 HE ARG 60 -11.043 11.590 2.367
296 HH11 ARG 60 HH11 ARG 60 -8.712 9.096 1.670
297 HH12 ARG 60 HH12 ARG 60 -7.428 10.209 1.339
298 HH21 ARG 60 HH21 ARG 60 -9.356 13.064 1.935
299 HH22 ARG 60 HH22 ARG 60 -7.792 12.464 1.491
Start of MODEL 16
1 H1 ARG 28 HT1 ARG 28 26.045 4.354 -7.836
2 H2 ARG 28 HT2 ARG 28 24.618 5.113 -8.333
3 H3 ARG 28 HT3 ARG 28 24.799 3.443 -8.530
4 HA ARG 28 HA ARG 28 24.806 3.091 -6.178
5 HB2 ARG 28 HB2 ARG 28 24.364 6.075 -5.950
6 HB3 ARG 28 HB1 ARG 28 24.471 4.926 -4.622
7 HG2 ARG 28 HG2 ARG 28 26.706 5.577 -6.534
8 HG3 ARG 28 HG1 ARG 28 26.522 6.245 -4.911
9 HD2 ARG 28 HD2 ARG 28 26.854 3.323 -5.587
10 HD3 ARG 28 HD1 ARG 28 28.116 4.382 -4.958
11 HE ARG 28 HE ARG 28 25.992 4.500 -3.177
12 HH11 ARG 28 HH11 ARG 28 28.224 2.114 -4.386
13 HH12 ARG 28 HH12 ARG 28 28.214 1.178 -2.928
14 HH21 ARG 28 HH21 ARG 28 25.974 3.275 -1.252
15 HH22 ARG 28 HH22 ARG 28 26.936 1.839 -1.147
16 H ARG 29 HN ARG 29 23.000 1.950 -6.837
17 HA ARG 29 HA ARG 29 20.460 3.415 -6.601
18 HB2 ARG 29 HB2 ARG 29 20.863 2.951 -8.970
19 HB3 ARG 29 HB1 ARG 29 21.092 1.245 -8.611
20 HG2 ARG 29 HG2 ARG 29 18.778 1.059 -7.903
21 HG3 ARG 29 HG1 ARG 29 18.537 2.783 -8.187
22 HD2 ARG 29 HD2 ARG 29 19.312 0.761 -10.287
23 HD3 ARG 29 HD1 ARG 29 17.684 1.386 -10.030
24 HE ARG 29 HE ARG 29 19.230 3.609 -10.398
25 HH11 ARG 29 HH11 ARG 29 18.604 0.709 -12.227
26 HH12 ARG 29 HH12 ARG 29 18.814 1.480 -13.764
27 HH21 ARG 29 HH21 ARG 29 19.506 4.632 -12.416
28 HH22 ARG 29 HH22 ARG 29 19.328 3.710 -13.871
29 H CYS 30 HN CYS 30 19.195 2.626 -5.073
30 HA CYS 30 HA CYS 30 19.638 -0.142 -4.162
31 HB2 CYS 30 HB2 CYS 30 18.509 2.193 -2.605
32 HB3 CYS 30 HB1 CYS 30 18.806 0.575 -1.977
33 HG CYS 30 HG CYS 30 20.720 2.868 -1.412
34 H LEU 31 HN LEU 31 18.182 -1.157 -5.519
35 HA LEU 31 HA LEU 31 15.462 -0.231 -5.747
36 HB2 LEU 31 HB2 LEU 31 16.573 -1.293 -7.644
37 HB3 LEU 31 HB1 LEU 31 16.794 -2.762 -6.713
38 HG LEU 31 HG LEU 31 14.003 -1.814 -7.038
39 HD11 LEU 31 HD11 LEU 31 14.890 -1.416 -9.265
40 HD12 LEU 31 HD12 LEU 31 13.829 -2.825 -9.264
41 HD13 LEU 31 HD13 LEU 31 15.578 -3.040 -9.298
42 HD21 LEU 31 HD21 LEU 31 15.342 -4.512 -7.214
43 HD22 LEU 31 HD22 LEU 31 13.604 -4.219 -7.258
44 HD23 LEU 31 HD23 LEU 31 14.523 -3.850 -5.800
45 H PHE 32 HN PHE 32 17.234 -2.516 -3.822
46 HA PHE 32 HA PHE 32 14.915 -3.957 -2.918
47 HB2 PHE 32 HB2 PHE 32 17.154 -5.009 -3.029
48 HB3 PHE 32 HB1 PHE 32 17.716 -3.907 -1.778
49 HD1 PHE 32 HD1 PHE 32 17.129 -4.231 0.521
50 HD2 PHE 32 HD2 PHE 32 15.568 -6.790 -2.502
51 HE1 PHE 32 HE1 PHE 32 16.380 -5.812 2.251
52 HE2 PHE 32 HE2 PHE 32 14.816 -8.376 -0.776
53 HZ PHE 32 HZ PHE 32 15.222 -7.887 1.603
54 H LEU 33 HN LEU 33 17.104 -1.540 -1.505
55 HA LEU 33 HA LEU 33 15.859 -1.374 1.004
56 HB2 LEU 33 HB2 LEU 33 17.245 0.904 -0.396
57 HB3 LEU 33 HB1 LEU 33 17.081 0.651 1.329
58 HG LEU 33 HG LEU 33 18.792 -0.949 -0.574
59 HD11 LEU 33 HD11 LEU 33 20.640 -0.075 0.720
60 HD12 LEU 33 HD12 LEU 33 19.524 0.804 1.765
61 HD13 LEU 33 HD13 LEU 33 19.677 1.250 0.065
62 HD21 LEU 33 HD21 LEU 33 19.539 -2.177 1.419
63 HD22 LEU 33 HD22 LEU 33 17.831 -2.442 1.075
64 HD23 LEU 33 HD23 LEU 33 18.309 -1.352 2.376
65 H SER 34 HN SER 34 15.048 0.015 -2.077
66 HA SER 34 HA SER 34 13.182 1.929 -0.991
67 HB2 SER 34 HB2 SER 34 14.349 2.432 -3.086
68 HB3 SER 34 HB1 SER 34 13.636 1.008 -3.842
69 HG SER 34 HG SER 34 12.116 3.142 -2.759
70 H LEU 35 HN LEU 35 13.127 -1.349 -2.092
71 HA LEU 35 HA LEU 35 10.258 -1.450 -2.417
72 HB2 LEU 35 HB2 LEU 35 11.835 -2.829 -3.768
73 HB3 LEU 35 HB1 LEU 35 12.231 -3.725 -2.314
74 HG LEU 35 HG LEU 35 9.788 -4.346 -2.152
75 HD11 LEU 35 HD11 LEU 35 8.894 -2.576 -3.569
76 HD12 LEU 35 HD12 LEU 35 8.459 -4.168 -4.194
77 HD13 LEU 35 HD13 LEU 35 9.751 -3.244 -4.959
78 HD21 LEU 35 HD21 LEU 35 9.962 -6.093 -3.851
79 HD22 LEU 35 HD22 LEU 35 11.476 -5.896 -2.968
80 HD23 LEU 35 HD23 LEU 35 11.311 -5.235 -4.595
81 H PHE 36 HN PHE 36 12.523 -1.855 0.123
82 HA PHE 36 HA PHE 36 11.112 -3.657 1.770
83 HB2 PHE 36 HB2 PHE 36 13.510 -2.997 2.055
84 HB3 PHE 36 HB1 PHE 36 12.961 -1.440 2.668
85 HD1 PHE 36 HD1 PHE 36 12.418 -1.174 4.921
86 HD2 PHE 36 HD2 PHE 36 12.794 -5.089 3.296
87 HE1 PHE 36 HE1 PHE 36 12.266 -2.124 7.185
88 HE2 PHE 36 HE2 PHE 36 12.640 -6.048 5.557
89 HZ PHE 36 HZ PHE 36 12.375 -4.565 7.506
90 H SER 37 HN SER 37 10.675 -0.297 1.087
91 HA SER 37 HA SER 37 8.833 0.014 3.347
92 HB2 SER 37 HB2 SER 37 8.839 2.430 2.702
93 HB3 SER 37 HB1 SER 37 10.437 1.814 3.128
94 HG SER 37 HG SER 37 10.591 1.441 0.728
95 H PHE 38 HN PHE 38 8.958 -0.099 -0.143
96 HA PHE 38 HA PHE 38 6.389 0.905 -0.701
97 HB2 PHE 38 HB2 PHE 38 8.252 0.525 -2.364
98 HB3 PHE 38 HB1 PHE 38 7.862 -1.191 -2.303
99 HD1 PHE 38 HD1 PHE 38 5.850 -2.045 -3.315
100 HD2 PHE 38 HD2 PHE 38 6.751 2.112 -3.417
101 HE1 PHE 38 HE1 PHE 38 4.134 -1.720 -5.048
102 HE2 PHE 38 HE2 PHE 38 5.035 2.447 -5.151
103 HZ PHE 38 HZ PHE 38 3.727 0.537 -5.969
104 H LEU 39 HN LEU 39 7.480 -2.161 0.473
105 HA LEU 39 HA LEU 39 5.226 -3.710 -0.265
106 HB2 LEU 39 HB2 LEU 39 7.489 -4.561 0.446
107 HB3 LEU 39 HB1 LEU 39 7.041 -4.174 2.096
108 HG LEU 39 HG LEU 39 5.246 -5.948 0.515
109 HD11 LEU 39 HD11 LEU 39 7.477 -6.841 0.084
110 HD12 LEU 39 HD12 LEU 39 6.561 -7.903 1.154
111 HD13 LEU 39 HD13 LEU 39 7.811 -6.851 1.816
112 HD21 LEU 39 HD21 LEU 39 4.918 -6.971 2.727
113 HD22 LEU 39 HD22 LEU 39 4.567 -5.243 2.737
114 HD23 LEU 39 HD23 LEU 39 6.084 -5.838 3.411
115 H ILE 40 HN ILE 40 6.104 -2.078 2.776
116 HA ILE 40 HA ILE 40 3.825 -2.801 4.232
117 HB ILE 40 HB ILE 40 5.446 -0.267 4.519
118 HG12 ILE 40 HG12 ILE 40 5.769 -2.932 5.916
119 HG13 ILE 40 HG11 ILE 40 6.800 -2.355 4.611
120 HG21 ILE 40 HG21 ILE 40 3.672 -1.703 6.491
121 HG22 ILE 40 HG22 ILE 40 3.296 -0.184 5.678
122 HG23 ILE 40 HG23 ILE 40 4.635 -0.263 6.823
123 HD11 ILE 40 HD11 ILE 40 7.475 -0.457 6.022
124 HD12 ILE 40 HD12 ILE 40 7.881 -2.019 6.734
125 HD13 ILE 40 HD13 ILE 40 6.492 -1.111 7.333
126 H VAL 41 HN VAL 41 4.468 0.054 2.223
127 HA VAL 41 HA VAL 41 2.019 1.360 2.719
128 HB VAL 41 HB VAL 41 3.770 1.556 0.264
129 HG11 VAL 41 HG11 VAL 41 1.545 2.470 -0.113
130 HG12 VAL 41 HG12 VAL 41 2.740 3.763 -0.023
131 HG13 VAL 41 HG13 VAL 41 1.683 3.444 1.351
132 HG21 VAL 41 HG21 VAL 41 4.773 3.487 1.367
133 HG22 VAL 41 HG22 VAL 41 5.003 2.019 2.318
134 HG23 VAL 41 HG23 VAL 41 3.777 3.195 2.793
135 H LEU 42 HN LEU 42 2.983 -1.087 0.395
136 HA LEU 42 HA LEU 42 0.716 -0.905 -1.276
137 HB2 LEU 42 HB2 LEU 42 2.985 -2.108 -1.647
138 HB3 LEU 42 HB1 LEU 42 2.229 -3.458 -0.812
139 HG LEU 42 HG LEU 42 2.156 -3.649 -3.283
140 HD11 LEU 42 HD11 LEU 42 0.482 -4.762 -1.860
141 HD12 LEU 42 HD12 LEU 42 -0.149 -4.330 -3.449
142 HD13 LEU 42 HD13 LEU 42 -0.573 -3.360 -2.040
143 HD21 LEU 42 HD21 LEU 42 1.938 -1.281 -3.825
144 HD22 LEU 42 HD22 LEU 42 0.324 -1.260 -3.117
145 HD23 LEU 42 HD23 LEU 42 0.641 -2.224 -4.559
146 H LEU 43 HN LEU 43 1.492 -3.136 1.391
147 HA LEU 43 HA LEU 43 -0.871 -4.599 1.378
148 HB2 LEU 43 HB2 LEU 43 0.869 -3.847 3.727
149 HB3 LEU 43 HB1 LEU 43 -0.369 -5.088 3.758
150 HG LEU 43 HG LEU 43 2.123 -5.141 2.053
151 HD11 LEU 43 HD11 LEU 43 2.588 -5.463 4.424
152 HD12 LEU 43 HD12 LEU 43 2.816 -6.962 3.523
153 HD13 LEU 43 HD13 LEU 43 1.365 -6.732 4.500
154 HD21 LEU 43 HD21 LEU 43 -0.061 -7.189 2.420
155 HD22 LEU 43 HD22 LEU 43 1.445 -7.443 1.538
156 HD23 LEU 43 HD23 LEU 43 0.269 -6.266 0.954
157 H LEU 44 HN LEU 44 -0.272 -1.372 2.491
158 HA LEU 44 HA LEU 44 -2.656 -1.224 4.109
159 HB2 LEU 44 HB2 LEU 44 -0.723 0.884 3.155
160 HB3 LEU 44 HB1 LEU 44 -2.106 1.227 4.176
161 HG LEU 44 HG LEU 44 0.220 -0.554 4.913
162 HD11 LEU 44 HD11 LEU 44 -0.541 2.219 5.814
163 HD12 LEU 44 HD12 LEU 44 0.866 1.774 4.848
164 HD13 LEU 44 HD13 LEU 44 0.740 1.235 6.521
165 HD21 LEU 44 HD21 LEU 44 -0.786 -0.536 7.157
166 HD22 LEU 44 HD22 LEU 44 -1.834 -1.308 5.966
167 HD23 LEU 44 HD23 LEU 44 -2.179 0.332 6.512
168 H THR 45 HN THR 45 -1.616 0.109 0.980
169 HA THR 45 HA THR 45 -3.933 1.522 0.363
170 HB THR 45 HB THR 45 -3.257 1.229 -2.036
171 HG1 THR 45 HG1 THR 45 -0.843 0.093 -1.286
172 HG21 THR 45 HG21 THR 45 -1.161 2.488 -1.815
173 HG22 THR 45 HG22 THR 45 -1.081 2.047 -0.109
174 HG23 THR 45 HG23 THR 45 -2.391 3.075 -0.694
175 H THR 46 HN THR 46 -3.369 -1.881 0.375
176 HA THR 46 HA THR 46 -5.276 -2.724 -1.498
177 HB THR 46 HB THR 46 -4.468 -4.154 1.041
178 HG1 THR 46 HG1 THR 46 -2.628 -3.773 -0.167
179 HG21 THR 46 HG21 THR 46 -6.464 -5.102 -0.000
180 HG22 THR 46 HG22 THR 46 -5.084 -6.183 -0.197
181 HG23 THR 46 HG23 THR 46 -5.624 -5.189 -1.549
182 H LEU 47 HN LEU 47 -5.617 -2.586 2.056
183 HA LEU 47 HA LEU 47 -8.477 -2.874 1.874
184 HB2 LEU 47 HB2 LEU 47 -6.583 -2.432 4.171
185 HB3 LEU 47 HB1 LEU 47 -8.321 -2.447 4.391
186 HG LEU 47 HG LEU 47 -7.438 -4.597 4.998
187 HD11 LEU 47 HD11 LEU 47 -8.702 -6.056 3.511
188 HD12 LEU 47 HD12 LEU 47 -8.807 -4.760 2.318
189 HD13 LEU 47 HD13 LEU 47 -9.603 -4.586 3.881
190 HD21 LEU 47 HD21 LEU 47 -6.213 -6.008 3.449
191 HD22 LEU 47 HD22 LEU 47 -5.355 -4.490 3.709
192 HD23 LEU 47 HD23 LEU 47 -6.269 -4.742 2.222
193 H PHE 48 HN PHE 48 -6.185 -0.275 2.364
194 HA PHE 48 HA PHE 48 -7.916 1.703 3.318
195 HB2 PHE 48 HB2 PHE 48 -5.537 2.052 3.394
196 HB3 PHE 48 HB1 PHE 48 -5.405 1.914 1.645
197 HD1 PHE 48 HD1 PHE 48 -5.650 3.795 0.267
198 HD2 PHE 48 HD2 PHE 48 -6.768 4.020 4.368
199 HE1 PHE 48 HE1 PHE 48 -5.909 6.234 0.059
200 HE2 PHE 48 HE2 PHE 48 -7.028 6.457 4.169
201 HZ PHE 48 HZ PHE 48 -6.593 7.568 2.006
202 H CYS 49 HN CYS 49 -7.037 0.830 -0.006
203 HA CYS 49 HA CYS 49 -8.733 2.819 -1.178
204 HB2 CYS 49 HB2 CYS 49 -6.687 1.877 -2.284
205 HB3 CYS 49 HB1 CYS 49 -7.555 0.360 -2.487
206 HG CYS 49 HG CYS 49 -9.053 1.051 -4.513
207 H LEU 50 HN LEU 50 -9.091 -0.431 -0.084
208 HA LEU 50 HA LEU 50 -11.379 -1.168 -1.579
209 HB2 LEU 50 HB2 LEU 50 -9.816 -2.189 0.681
210 HB3 LEU 50 HB1 LEU 50 -11.523 -2.601 0.758
211 HG LEU 50 HG LEU 50 -9.722 -3.189 -1.592
212 HD11 LEU 50 HD11 LEU 50 -10.671 -5.000 0.623
213 HD12 LEU 50 HD12 LEU 50 -9.014 -4.461 0.348
214 HD13 LEU 50 HD13 LEU 50 -9.804 -5.517 -0.824
215 HD21 LEU 50 HD21 LEU 50 -12.517 -4.116 -0.935
216 HD22 LEU 50 HD22 LEU 50 -11.553 -4.649 -2.312
217 HD23 LEU 50 HD23 LEU 50 -12.073 -2.967 -2.198
218 H LEU 51 HN LEU 51 -10.882 0.535 1.423
219 HA LEU 51 HA LEU 51 -13.647 0.437 2.208
220 HB2 LEU 51 HB2 LEU 51 -11.328 2.019 3.301
221 HB3 LEU 51 HB1 LEU 51 -12.916 1.922 4.040
222 HG LEU 51 HG LEU 51 -11.299 -0.558 3.528
223 HD11 LEU 51 HD11 LEU 51 -11.176 1.212 5.969
224 HD12 LEU 51 HD12 LEU 51 -9.869 0.927 4.820
225 HD13 LEU 51 HD13 LEU 51 -10.463 -0.393 5.827
226 HD21 LEU 51 HD21 LEU 51 -13.655 -0.844 4.055
227 HD22 LEU 51 HD22 LEU 51 -13.467 0.141 5.506
228 HD23 LEU 51 HD23 LEU 51 -12.648 -1.418 5.385
229 H HIS 52 HN HIS 52 -11.466 3.099 1.217
230 HA HIS 52 HA HIS 52 -13.582 5.006 1.136
231 HB2 HIS 52 HB2 HIS 52 -11.163 5.551 1.513
232 HB3 HIS 52 HB1 HIS 52 -10.881 5.227 -0.196
233 HD1 HIS 52 HD1 HIS 52 -13.061 7.502 1.933
234 HD2 HIS 52 HD2 HIS 52 -11.175 7.415 -1.767
235 HE1 HIS 52 HE1 HIS 52 -13.441 9.777 0.934
236 HE2 HIS 52 HE2 HIS 52 -12.170 9.744 -1.242
237 H PHE 53 HN PHE 53 -11.606 3.656 -1.527
238 HA PHE 53 HA PHE 53 -13.381 4.671 -3.521
239 HB2 PHE 53 HB2 PHE 53 -11.120 2.675 -3.679
240 HB3 PHE 53 HB1 PHE 53 -11.995 3.281 -5.080
241 HD1 PHE 53 HD1 PHE 53 -9.879 4.330 -2.225
242 HD2 PHE 53 HD2 PHE 53 -11.400 5.310 -6.076
243 HE1 PHE 53 HE1 PHE 53 -8.349 6.255 -2.336
244 HE2 PHE 53 HE2 PHE 53 -9.874 7.236 -6.194
245 HZ PHE 53 HZ PHE 53 -8.361 7.723 -4.308
246 H GLY 54 HN GLY 54 -13.453 1.950 -1.518
247 HA2 GLY 54 HA2 GLY 54 -15.146 0.372 -1.336
248 HA3 GLY 54 HA1 GLY 54 -15.817 0.957 -2.850
249 H VAL 55 HN VAL 55 -13.121 0.647 -4.144
250 HA VAL 55 HA VAL 55 -12.243 -1.987 -4.024
251 HB VAL 55 HB VAL 55 -14.417 -2.632 -4.811
252 HG11 VAL 55 HG11 VAL 55 -15.452 -1.866 -6.782
253 HG12 VAL 55 HG12 VAL 55 -14.006 -1.001 -7.289
254 HG13 VAL 55 HG13 VAL 55 -14.931 -0.430 -5.902
255 HG21 VAL 55 HG21 VAL 55 -13.799 -3.835 -6.874
256 HG22 VAL 55 HG22 VAL 55 -12.568 -3.953 -5.615
257 HG23 VAL 55 HG23 VAL 55 -12.335 -2.855 -6.975
258 H ILE 56 HN ILE 56 -12.962 0.488 -6.474
259 HA ILE 56 HA ILE 56 -10.165 0.948 -6.929
260 HB ILE 56 HB ILE 56 -10.667 0.570 -9.513
261 HG12 ILE 56 HG12 ILE 56 -11.802 -1.670 -9.749
262 HG13 ILE 56 HG11 ILE 56 -12.353 -1.489 -8.088
263 HG21 ILE 56 HG21 ILE 56 -9.386 -1.475 -9.380
264 HG22 ILE 56 HG22 ILE 56 -9.782 -1.641 -7.671
265 HG23 ILE 56 HG23 ILE 56 -8.769 -0.304 -8.215
266 HD11 ILE 56 HD11 ILE 56 -13.007 0.375 -10.356
267 HD12 ILE 56 HD12 ILE 56 -13.586 0.508 -8.695
268 HD13 ILE 56 HD13 ILE 56 -14.072 -0.862 -9.691
269 H GLY 57 HN GLY 57 -13.157 2.126 -6.711
270 HA2 GLY 57 HA2 GLY 57 -13.799 4.355 -6.983
271 HA3 GLY 57 HA1 GLY 57 -12.421 4.593 -8.050
272 HA PRO 58 HA PRO 58 -15.835 2.169 -10.703
273 HB2 PRO 58 HB2 PRO 58 -18.334 2.796 -9.564
274 HB3 PRO 58 HB1 PRO 58 -17.555 1.213 -9.593
275 HG2 PRO 58 HG2 PRO 58 -17.626 3.255 -7.430
276 HG3 PRO 58 HG1 PRO 58 -17.605 1.486 -7.310
277 HD2 PRO 58 HD2 PRO 58 -15.422 2.927 -6.776
278 HD3 PRO 58 HD1 PRO 58 -15.305 1.371 -7.628
279 H GLN 59 HN GLN 59 -15.605 3.591 -12.298
280 HA GLN 59 HA GLN 59 -17.023 6.165 -12.086
281 HB2 GLN 59 HB2 GLN 59 -14.586 6.440 -12.231
282 HB3 GLN 59 HB1 GLN 59 -14.565 5.507 -13.721
283 HG2 GLN 59 HG2 GLN 59 -15.865 7.208 -14.845
284 HG3 GLN 59 HG1 GLN 59 -15.998 8.127 -13.347
285 HE21 GLN 59 HE21 GLN 59 -15.019 9.928 -14.242
286 HE22 GLN 59 HE22 GLN 59 -13.326 9.989 -14.582
287 H ARG 60 HN ARG 60 -18.957 5.218 -12.869
288 HA ARG 60 HA ARG 60 -18.963 4.026 -15.513
289 HB2 ARG 60 HB2 ARG 60 -20.433 3.169 -13.708
290 HB3 ARG 60 HB1 ARG 60 -21.281 4.709 -13.694
291 HG2 ARG 60 HG2 ARG 60 -22.685 3.533 -15.028
292 HG3 ARG 60 HG1 ARG 60 -21.584 4.145 -16.262
293 HD2 ARG 60 HD2 ARG 60 -21.468 1.434 -14.947
294 HD3 ARG 60 HD1 ARG 60 -22.013 1.773 -16.589
295 HE ARG 60 HE ARG 60 -19.480 2.770 -16.508
296 HH11 ARG 60 HH11 ARG 60 -20.906 -0.326 -15.791
297 HH12 ARG 60 HH12 ARG 60 -19.502 -1.227 -16.255
298 HH21 ARG 60 HH21 ARG 60 -17.625 1.592 -17.126
299 HH22 ARG 60 HH22 ARG 60 -17.637 -0.136 -17.013
Start of MODEL 17
1 H1 ARG 28 HT1 ARG 28 25.723 3.738 -1.214
2 H2 ARG 28 HT2 ARG 28 24.696 3.949 -2.541
3 H3 ARG 28 HT3 ARG 28 26.288 3.431 -2.779
4 HA ARG 28 HA ARG 28 24.714 1.613 -3.012
5 HB2 ARG 28 HB2 ARG 28 26.978 1.124 -2.260
6 HB3 ARG 28 HB1 ARG 28 26.529 1.469 -0.596
7 HG2 ARG 28 HG2 ARG 28 26.621 -0.889 -0.842
8 HG3 ARG 28 HG1 ARG 28 24.920 -0.440 -0.718
9 HD2 ARG 28 HD2 ARG 28 26.317 -0.849 -3.352
10 HD3 ARG 28 HD1 ARG 28 25.509 -2.155 -2.488
11 HE ARG 28 HE ARG 28 23.703 -0.043 -2.738
12 HH11 ARG 28 HH11 ARG 28 25.392 -2.317 -4.767
13 HH12 ARG 28 HH12 ARG 28 24.163 -2.336 -5.987
14 HH21 ARG 28 HH21 ARG 28 22.080 -0.065 -4.339
15 HH22 ARG 28 HH22 ARG 28 22.281 -1.056 -5.745
16 H ARG 29 HN ARG 29 22.576 1.679 -2.627
17 HA ARG 29 HA ARG 29 21.609 2.012 0.110
18 HB2 ARG 29 HB2 ARG 29 20.567 3.318 -1.729
19 HB3 ARG 29 HB1 ARG 29 20.047 1.813 -2.472
20 HG2 ARG 29 HG2 ARG 29 18.198 2.760 -1.294
21 HG3 ARG 29 HG1 ARG 29 18.730 1.320 -0.426
22 HD2 ARG 29 HD2 ARG 29 19.986 2.746 1.135
23 HD3 ARG 29 HD1 ARG 29 19.403 4.174 0.281
24 HE ARG 29 HE ARG 29 17.272 2.498 1.179
25 HH11 ARG 29 HH11 ARG 29 19.524 4.963 2.175
26 HH12 ARG 29 HH12 ARG 29 18.523 5.537 3.465
27 HH21 ARG 29 HH21 ARG 29 15.946 3.250 2.877
28 HH22 ARG 29 HH22 ARG 29 16.491 4.565 3.864
29 H CYS 30 HN CYS 30 20.790 0.399 1.304
30 HA CYS 30 HA CYS 30 21.238 -2.281 0.648
31 HB2 CYS 30 HB2 CYS 30 19.346 -1.116 2.703
32 HB3 CYS 30 HB1 CYS 30 19.856 -2.800 2.638
33 HG CYS 30 HG CYS 30 21.804 -0.084 3.358
34 H LEU 31 HN LEU 31 20.227 -3.552 -0.734
35 HA LEU 31 HA LEU 31 17.877 -2.859 -2.100
36 HB2 LEU 31 HB2 LEU 31 17.943 -5.074 -3.054
37 HB3 LEU 31 HB1 LEU 31 19.564 -4.411 -2.989
38 HG LEU 31 HG LEU 31 18.571 -6.270 -0.847
39 HD11 LEU 31 HD11 LEU 31 18.219 -7.411 -2.972
40 HD12 LEU 31 HD12 LEU 31 19.571 -8.122 -2.090
41 HD13 LEU 31 HD13 LEU 31 19.876 -7.045 -3.452
42 HD21 LEU 31 HD21 LEU 31 21.306 -5.560 -1.901
43 HD22 LEU 31 HD22 LEU 31 20.980 -6.757 -0.649
44 HD23 LEU 31 HD23 LEU 31 20.608 -5.058 -0.362
45 H PHE 32 HN PHE 32 18.350 -4.365 0.955
46 HA PHE 32 HA PHE 32 15.732 -5.590 1.041
47 HB2 PHE 32 HB2 PHE 32 17.793 -5.195 3.222
48 HB3 PHE 32 HB1 PHE 32 16.327 -6.161 3.368
49 HD1 PHE 32 HD1 PHE 32 16.071 -8.208 1.961
50 HD2 PHE 32 HD2 PHE 32 19.738 -6.067 2.232
51 HE1 PHE 32 HE1 PHE 32 17.277 -10.171 1.095
52 HE2 PHE 32 HE2 PHE 32 20.951 -8.026 1.366
53 HZ PHE 32 HZ PHE 32 19.721 -10.080 0.795
54 H LEU 33 HN LEU 33 17.255 -2.629 2.097
55 HA LEU 33 HA LEU 33 15.051 -1.829 3.771
56 HB2 LEU 33 HB2 LEU 33 17.469 -0.338 2.778
57 HB3 LEU 33 HB1 LEU 33 16.274 0.346 3.863
58 HG LEU 33 HG LEU 33 18.075 -2.006 4.446
59 HD11 LEU 33 HD11 LEU 33 17.978 0.801 5.523
60 HD12 LEU 33 HD12 LEU 33 19.240 0.103 4.509
61 HD13 LEU 33 HD13 LEU 33 18.999 -0.491 6.152
62 HD21 LEU 33 HD21 LEU 33 15.946 -0.704 6.143
63 HD22 LEU 33 HD22 LEU 33 17.121 -1.886 6.720
64 HD23 LEU 33 HD23 LEU 33 15.926 -2.349 5.509
65 H SER 34 HN SER 34 15.912 -1.554 0.450
66 HA SER 34 HA SER 34 14.381 0.759 -0.177
67 HB2 SER 34 HB2 SER 34 15.308 -1.508 -1.960
68 HB3 SER 34 HB1 SER 34 14.655 0.031 -2.526
69 HG SER 34 HG SER 34 16.485 0.995 -2.052
70 H LEU 35 HN LEU 35 13.749 -2.723 -0.447
71 HA LEU 35 HA LEU 35 11.154 -2.469 -1.542
72 HB2 LEU 35 HB2 LEU 35 12.484 -4.516 -1.711
73 HB3 LEU 35 HB1 LEU 35 12.388 -4.736 0.025
74 HG LEU 35 HG LEU 35 9.792 -4.554 -1.370
75 HD11 LEU 35 HD11 LEU 35 9.904 -6.879 -2.142
76 HD12 LEU 35 HD12 LEU 35 11.619 -6.924 -1.735
77 HD13 LEU 35 HD13 LEU 35 11.042 -5.842 -3.003
78 HD21 LEU 35 HD21 LEU 35 9.227 -6.333 0.181
79 HD22 LEU 35 HD22 LEU 35 10.015 -5.008 1.038
80 HD23 LEU 35 HD23 LEU 35 10.916 -6.478 0.664
81 H PHE 36 HN PHE 36 12.351 -1.950 1.593
82 HA PHE 36 HA PHE 36 10.142 -2.713 3.163
83 HB2 PHE 36 HB2 PHE 36 12.319 -2.251 4.151
84 HB3 PHE 36 HB1 PHE 36 12.224 -0.570 3.640
85 HD1 PHE 36 HD1 PHE 36 10.585 -3.088 5.817
86 HD2 PHE 36 HD2 PHE 36 11.261 1.036 5.019
87 HE1 PHE 36 HE1 PHE 36 9.515 -2.502 7.955
88 HE2 PHE 36 HE2 PHE 36 10.194 1.630 7.154
89 HZ PHE 36 HZ PHE 36 9.318 -0.140 8.625
90 H SER 37 HN SER 37 10.644 -0.014 1.068
91 HA SER 37 HA SER 37 8.546 1.584 2.276
92 HB2 SER 37 HB2 SER 37 9.026 3.176 0.445
93 HB3 SER 37 HB1 SER 37 10.483 2.727 1.328
94 HG SER 37 HG SER 37 9.630 1.629 -1.148
95 H PHE 38 HN PHE 38 9.075 0.009 -0.876
96 HA PHE 38 HA PHE 38 6.628 0.530 -2.057
97 HB2 PHE 38 HB2 PHE 38 8.236 -2.020 -2.302
98 HB3 PHE 38 HB1 PHE 38 7.033 -1.437 -3.449
99 HD1 PHE 38 HD1 PHE 38 7.529 0.300 -5.011
100 HD2 PHE 38 HD2 PHE 38 10.415 -0.901 -2.124
101 HE1 PHE 38 HE1 PHE 38 9.266 1.529 -6.243
102 HE2 PHE 38 HE2 PHE 38 12.158 0.328 -3.350
103 HZ PHE 38 HZ PHE 38 11.585 1.546 -5.413
104 H LEU 39 HN LEU 39 7.540 -2.472 -0.433
105 HA LEU 39 HA LEU 39 5.232 -3.870 -0.473
106 HB2 LEU 39 HB2 LEU 39 7.541 -4.385 0.561
107 HB3 LEU 39 HB1 LEU 39 6.847 -3.749 2.041
108 HG LEU 39 HG LEU 39 5.012 -5.445 1.797
109 HD11 LEU 39 HD11 LEU 39 6.864 -6.571 -0.294
110 HD12 LEU 39 HD12 LEU 39 5.260 -5.896 -0.582
111 HD13 LEU 39 HD13 LEU 39 5.439 -7.375 0.364
112 HD21 LEU 39 HD21 LEU 39 6.870 -5.738 3.347
113 HD22 LEU 39 HD22 LEU 39 7.829 -6.477 2.066
114 HD23 LEU 39 HD23 LEU 39 6.375 -7.282 2.655
115 H ILE 40 HN ILE 40 6.077 -1.552 2.119
116 HA ILE 40 HA ILE 40 3.731 -1.862 3.602
117 HB ILE 40 HB ILE 40 5.494 0.576 3.358
118 HG12 ILE 40 HG12 ILE 40 5.408 -1.624 5.436
119 HG13 ILE 40 HG11 ILE 40 6.615 -1.482 4.163
120 HG21 ILE 40 HG21 ILE 40 3.404 -0.088 5.431
121 HG22 ILE 40 HG22 ILE 40 3.295 1.186 4.216
122 HG23 ILE 40 HG23 ILE 40 4.512 1.284 5.489
123 HD11 ILE 40 HD11 ILE 40 7.330 0.668 5.122
124 HD12 ILE 40 HD12 ILE 40 7.512 -0.679 6.245
125 HD13 ILE 40 HD13 ILE 40 6.166 0.445 6.428
126 H VAL 41 HN VAL 41 4.498 0.674 1.209
127 HA VAL 41 HA VAL 41 2.055 2.007 1.298
128 HB VAL 41 HB VAL 41 3.878 1.698 -1.091
129 HG11 VAL 41 HG11 VAL 41 1.725 3.718 -0.473
130 HG12 VAL 41 HG12 VAL 41 1.734 2.539 -1.786
131 HG13 VAL 41 HG13 VAL 41 2.892 3.870 -1.787
132 HG21 VAL 41 HG21 VAL 41 5.058 2.558 0.857
133 HG22 VAL 41 HG22 VAL 41 3.820 3.794 1.076
134 HG23 VAL 41 HG23 VAL 41 4.851 3.821 -0.356
135 H LEU 42 HN LEU 42 2.995 -0.846 -0.545
136 HA LEU 42 HA LEU 42 0.686 -0.867 -2.206
137 HB2 LEU 42 HB2 LEU 42 3.037 -2.084 -2.397
138 HB3 LEU 42 HB1 LEU 42 2.164 -3.382 -1.592
139 HG LEU 42 HG LEU 42 2.191 -3.686 -4.019
140 HD11 LEU 42 HD11 LEU 42 -0.194 -4.020 -4.368
141 HD12 LEU 42 HD12 LEU 42 -0.552 -2.993 -2.980
142 HD13 LEU 42 HD13 LEU 42 0.284 -4.528 -2.748
143 HD21 LEU 42 HD21 LEU 42 0.675 -1.081 -4.126
144 HD22 LEU 42 HD22 LEU 42 0.992 -2.154 -5.489
145 HD23 LEU 42 HD23 LEU 42 2.330 -1.338 -4.678
146 H LEU 43 HN LEU 43 1.625 -3.090 0.424
147 HA LEU 43 HA LEU 43 -0.795 -4.424 0.643
148 HB2 LEU 43 HB2 LEU 43 1.457 -3.920 2.541
149 HB3 LEU 43 HB1 LEU 43 0.000 -4.697 3.128
150 HG LEU 43 HG LEU 43 1.717 -6.337 2.547
151 HD11 LEU 43 HD11 LEU 43 0.361 -7.762 1.092
152 HD12 LEU 43 HD12 LEU 43 -0.646 -6.375 0.675
153 HD13 LEU 43 HD13 LEU 43 -0.616 -6.978 2.332
154 HD21 LEU 43 HD21 LEU 43 1.470 -5.236 -0.250
155 HD22 LEU 43 HD22 LEU 43 2.380 -6.672 0.215
156 HD23 LEU 43 HD23 LEU 43 2.874 -5.087 0.807
157 H LEU 44 HN LEU 44 0.019 -1.234 1.685
158 HA LEU 44 HA LEU 44 -2.104 -1.039 3.618
159 HB2 LEU 44 HB2 LEU 44 -0.397 0.359 4.213
160 HB3 LEU 44 HB1 LEU 44 0.020 0.738 2.554
161 HG LEU 44 HG LEU 44 -2.017 2.169 2.434
162 HD11 LEU 44 HD11 LEU 44 -2.105 1.672 5.406
163 HD12 LEU 44 HD12 LEU 44 -3.302 1.140 4.226
164 HD13 LEU 44 HD13 LEU 44 -3.072 2.861 4.532
165 HD21 LEU 44 HD21 LEU 44 0.179 3.134 2.820
166 HD22 LEU 44 HD22 LEU 44 0.007 2.867 4.555
167 HD23 LEU 44 HD23 LEU 44 -1.052 4.012 3.730
168 H THR 45 HN THR 45 -1.500 0.191 0.338
169 HA THR 45 HA THR 45 -3.876 1.663 0.079
170 HB THR 45 HB THR 45 -3.514 1.365 -2.412
171 HG1 THR 45 HG1 THR 45 -0.983 0.322 -1.833
172 HG21 THR 45 HG21 THR 45 -2.622 3.287 -1.233
173 HG22 THR 45 HG22 THR 45 -1.450 2.726 -2.426
174 HG23 THR 45 HG23 THR 45 -1.218 2.353 -0.719
175 H THR 46 HN THR 46 -3.304 -1.741 -0.072
176 HA THR 46 HA THR 46 -5.482 -2.502 -1.693
177 HB THR 46 HB THR 46 -4.200 -4.073 0.551
178 HG1 THR 46 HG1 THR 46 -3.593 -4.630 -2.098
179 HG21 THR 46 HG21 THR 46 -5.046 -6.041 -0.621
180 HG22 THR 46 HG22 THR 46 -5.807 -5.009 -1.831
181 HG23 THR 46 HG23 THR 46 -6.375 -4.976 -0.161
182 H LEU 47 HN LEU 47 -5.203 -2.612 1.867
183 HA LEU 47 HA LEU 47 -8.013 -3.063 2.194
184 HB2 LEU 47 HB2 LEU 47 -5.855 -2.389 4.192
185 HB3 LEU 47 HB1 LEU 47 -7.507 -2.777 4.624
186 HG LEU 47 HG LEU 47 -6.202 -4.727 4.994
187 HD11 LEU 47 HD11 LEU 47 -7.233 -6.350 3.516
188 HD12 LEU 47 HD12 LEU 47 -7.659 -5.071 2.379
189 HD13 LEU 47 HD13 LEU 47 -8.396 -5.108 3.981
190 HD21 LEU 47 HD21 LEU 47 -4.801 -5.761 3.309
191 HD22 LEU 47 HD22 LEU 47 -4.280 -4.101 3.598
192 HD23 LEU 47 HD23 LEU 47 -5.215 -4.493 2.155
193 H PHE 48 HN PHE 48 -6.022 -0.280 1.920
194 HA PHE 48 HA PHE 48 -7.769 1.497 3.350
195 HB2 PHE 48 HB2 PHE 48 -5.343 1.921 3.150
196 HB3 PHE 48 HB1 PHE 48 -5.537 2.137 1.413
197 HD1 PHE 48 HD1 PHE 48 -6.245 4.193 0.512
198 HD2 PHE 48 HD2 PHE 48 -6.436 3.531 4.711
199 HE1 PHE 48 HE1 PHE 48 -6.717 6.582 0.862
200 HE2 PHE 48 HE2 PHE 48 -6.909 5.919 5.071
201 HZ PHE 48 HZ PHE 48 -7.050 7.447 3.144
202 H CYS 49 HN CYS 49 -7.192 0.706 -0.050
203 HA CYS 49 HA CYS 49 -8.933 2.703 -1.078
204 HB2 CYS 49 HB2 CYS 49 -7.738 0.212 -2.279
205 HB3 CYS 49 HB1 CYS 49 -8.817 1.267 -3.187
206 HG CYS 49 HG CYS 49 -7.088 3.534 -2.742
207 H LEU 50 HN LEU 50 -9.325 -0.801 -0.587
208 HA LEU 50 HA LEU 50 -11.874 -1.128 -1.583
209 HB2 LEU 50 HB2 LEU 50 -10.651 -2.446 0.846
210 HB3 LEU 50 HB1 LEU 50 -12.088 -3.018 0.006
211 HG LEU 50 HG LEU 50 -9.391 -2.773 -1.324
212 HD11 LEU 50 HD11 LEU 50 -10.656 -5.194 -0.049
213 HD12 LEU 50 HD12 LEU 50 -9.218 -4.346 0.524
214 HD13 LEU 50 HD13 LEU 50 -9.187 -5.192 -1.024
215 HD21 LEU 50 HD21 LEU 50 -11.914 -4.245 -2.074
216 HD22 LEU 50 HD22 LEU 50 -10.392 -4.294 -2.964
217 HD23 LEU 50 HD23 LEU 50 -11.292 -2.783 -2.841
218 H LEU 51 HN LEU 51 -10.879 0.115 1.556
219 HA LEU 51 HA LEU 51 -13.575 0.311 2.551
220 HB2 LEU 51 HB2 LEU 51 -10.968 1.411 3.597
221 HB3 LEU 51 HB1 LEU 51 -12.500 1.510 4.447
222 HG LEU 51 HG LEU 51 -11.102 -1.065 3.713
223 HD11 LEU 51 HD11 LEU 51 -9.860 0.194 5.393
224 HD12 LEU 51 HD12 LEU 51 -10.602 -1.244 6.092
225 HD13 LEU 51 HD13 LEU 51 -11.321 0.342 6.370
226 HD21 LEU 51 HD21 LEU 51 -13.519 -1.309 3.836
227 HD22 LEU 51 HD22 LEU 51 -13.532 -0.525 5.417
228 HD23 LEU 51 HD23 LEU 51 -12.747 -2.092 5.216
229 H HIS 52 HN HIS 52 -11.232 2.436 1.039
230 HA HIS 52 HA HIS 52 -12.459 4.894 1.614
231 HB2 HIS 52 HB2 HIS 52 -10.169 4.733 0.771
232 HB3 HIS 52 HB1 HIS 52 -10.763 4.117 -0.767
233 HD1 HIS 52 HD1 HIS 52 -11.071 5.829 -2.528
234 HD2 HIS 52 HD2 HIS 52 -11.196 7.488 1.279
235 HE1 HIS 52 HE1 HIS 52 -11.256 8.311 -2.882
236 HE2 HIS 52 HE2 HIS 52 -11.287 9.299 -0.565
237 H PHE 53 HN PHE 53 -12.597 3.037 -1.441
238 HA PHE 53 HA PHE 53 -14.741 4.659 -2.438
239 HB2 PHE 53 HB2 PHE 53 -13.579 2.067 -3.476
240 HB3 PHE 53 HB1 PHE 53 -14.743 3.067 -4.338
241 HD1 PHE 53 HD1 PHE 53 -11.282 2.839 -3.138
242 HD2 PHE 53 HD2 PHE 53 -14.078 5.086 -5.426
243 HE1 PHE 53 HE1 PHE 53 -9.434 4.148 -4.105
244 HE2 PHE 53 HE2 PHE 53 -12.237 6.398 -6.398
245 HZ PHE 53 HZ PHE 53 -9.912 5.929 -5.737
246 H GLY 54 HN GLY 54 -14.497 1.668 -0.681
247 HA2 GLY 54 HA2 GLY 54 -16.106 0.329 0.261
248 HA3 GLY 54 HA1 GLY 54 -17.228 1.658 0.014
249 H VAL 55 HN VAL 55 -15.778 0.744 -2.879
250 HA VAL 55 HA VAL 55 -18.142 -0.023 -4.114
251 HB VAL 55 HB VAL 55 -16.335 0.726 -5.466
252 HG11 VAL 55 HG11 VAL 55 -14.452 0.083 -4.148
253 HG12 VAL 55 HG12 VAL 55 -14.267 -0.619 -5.755
254 HG13 VAL 55 HG13 VAL 55 -14.792 -1.625 -4.409
255 HG21 VAL 55 HG21 VAL 55 -16.193 -1.014 -7.175
256 HG22 VAL 55 HG22 VAL 55 -17.831 -0.876 -6.536
257 HG23 VAL 55 HG23 VAL 55 -16.791 -2.202 -6.018
258 H ILE 56 HN ILE 56 -15.610 -2.042 -2.705
259 HA ILE 56 HA ILE 56 -17.500 -4.173 -2.291
260 HB ILE 56 HB ILE 56 -15.597 -5.746 -3.399
261 HG12 ILE 56 HG12 ILE 56 -15.234 -4.777 -5.720
262 HG13 ILE 56 HG11 ILE 56 -15.733 -3.226 -5.058
263 HG21 ILE 56 HG21 ILE 56 -17.972 -4.593 -4.850
264 HG22 ILE 56 HG22 ILE 56 -18.027 -5.907 -3.675
265 HG23 ILE 56 HG23 ILE 56 -17.172 -6.124 -5.203
266 HD11 ILE 56 HD11 ILE 56 -13.317 -3.419 -5.161
267 HD12 ILE 56 HD12 ILE 56 -13.378 -4.854 -4.136
268 HD13 ILE 56 HD13 ILE 56 -13.874 -3.286 -3.493
269 H GLY 57 HN GLY 57 -17.059 -4.003 -0.133
270 HA2 GLY 57 HA2 GLY 57 -15.421 -5.571 1.209
271 HA3 GLY 57 HA1 GLY 57 -14.297 -4.292 0.777
272 HA PRO 58 HA PRO 58 -17.553 -2.234 3.705
273 HB2 PRO 58 HB2 PRO 58 -19.236 -3.890 5.037
274 HB3 PRO 58 HB1 PRO 58 -19.634 -3.182 3.467
275 HG2 PRO 58 HG2 PRO 58 -18.594 -5.917 4.104
276 HG3 PRO 58 HG1 PRO 58 -19.871 -5.442 2.969
277 HD2 PRO 58 HD2 PRO 58 -17.354 -6.025 2.164
278 HD3 PRO 58 HD1 PRO 58 -18.365 -4.824 1.336
279 H GLN 59 HN GLN 59 -16.792 -5.530 4.769
280 HA GLN 59 HA GLN 59 -15.796 -6.347 6.649
281 HB2 GLN 59 HB2 GLN 59 -14.210 -3.782 6.456
282 HB3 GLN 59 HB1 GLN 59 -13.727 -5.238 7.315
283 HG2 GLN 59 HG2 GLN 59 -14.090 -4.951 4.341
284 HG3 GLN 59 HG1 GLN 59 -12.560 -5.071 5.209
285 HE21 GLN 59 HE21 GLN 59 -11.918 -7.050 6.049
286 HE22 GLN 59 HE22 GLN 59 -12.645 -8.538 5.559
287 H ARG 60 HN ARG 60 -18.147 -5.377 7.350
288 HA ARG 60 HA ARG 60 -17.871 -3.424 9.480
289 HB2 ARG 60 HB2 ARG 60 -19.839 -3.359 8.002
290 HB3 ARG 60 HB1 ARG 60 -20.293 -4.971 8.538
291 HG2 ARG 60 HG2 ARG 60 -20.673 -4.167 10.779
292 HG3 ARG 60 HG1 ARG 60 -20.097 -2.560 10.330
293 HD2 ARG 60 HD2 ARG 60 -22.523 -3.952 9.202
294 HD3 ARG 60 HD1 ARG 60 -22.539 -2.649 10.389
295 HE ARG 60 HE ARG 60 -21.129 -1.744 8.167
296 HH11 ARG 60 HH11 ARG 60 -24.372 -2.735 8.974
297 HH12 ARG 60 HH12 ARG 60 -25.114 -1.711 7.791
298 HH21 ARG 60 HH21 ARG 60 -22.100 -0.394 6.611
299 HH22 ARG 60 HH22 ARG 60 -23.824 -0.382 6.448
Start of MODEL 18
1 H1 ARG 28 HT1 ARG 28 20.508 8.578 6.053
2 H2 ARG 28 HT2 ARG 28 19.518 7.313 6.580
3 H3 ARG 28 HT3 ARG 28 19.485 7.793 4.958
4 HA ARG 28 HA ARG 28 21.816 7.119 4.725
5 HB2 ARG 28 HB2 ARG 28 21.337 6.270 7.572
6 HB3 ARG 28 HB1 ARG 28 22.538 5.458 6.579
7 HG2 ARG 28 HG2 ARG 28 23.664 7.101 7.863
8 HG3 ARG 28 HG1 ARG 28 23.613 7.680 6.197
9 HD2 ARG 28 HD2 ARG 28 23.115 9.450 7.838
10 HD3 ARG 28 HD1 ARG 28 21.780 9.159 6.726
11 HE ARG 28 HE ARG 28 21.606 7.713 9.215
12 HH11 ARG 28 HH11 ARG 28 20.818 10.643 7.506
13 HH12 ARG 28 HH12 ARG 28 19.507 11.058 8.557
14 HH21 ARG 28 HH21 ARG 28 19.875 8.247 10.604
15 HH22 ARG 28 HH22 ARG 28 18.969 9.696 10.318
16 H ARG 29 HN ARG 29 18.793 6.245 4.736
17 HA ARG 29 HA ARG 29 18.687 3.455 4.811
18 HB2 ARG 29 HB2 ARG 29 16.672 3.685 3.380
19 HB3 ARG 29 HB1 ARG 29 16.663 4.768 4.765
20 HG2 ARG 29 HG2 ARG 29 17.320 6.624 3.355
21 HG3 ARG 29 HG1 ARG 29 17.427 5.550 1.959
22 HD2 ARG 29 HD2 ARG 29 15.036 5.056 2.165
23 HD3 ARG 29 HD1 ARG 29 14.934 6.139 3.552
24 HE ARG 29 HE ARG 29 15.929 7.730 1.608
25 HH11 ARG 29 HH11 ARG 29 13.176 5.599 1.761
26 HH12 ARG 29 HH12 ARG 29 12.224 6.540 0.663
27 HH21 ARG 29 HH21 ARG 29 14.680 8.978 0.163
28 HH22 ARG 29 HH22 ARG 29 13.079 8.460 -0.247
29 H CYS 30 HN CYS 30 19.028 1.856 3.326
30 HA CYS 30 HA CYS 30 20.552 2.640 0.942
31 HB2 CYS 30 HB2 CYS 30 21.398 0.332 0.941
32 HB3 CYS 30 HB1 CYS 30 21.714 1.131 2.476
33 HG CYS 30 HG CYS 30 21.090 -1.342 3.307
34 H LEU 31 HN LEU 31 20.337 0.601 -0.730
35 HA LEU 31 HA LEU 31 17.866 0.967 -1.989
36 HB2 LEU 31 HB2 LEU 31 19.867 -1.267 -2.336
37 HB3 LEU 31 HB1 LEU 31 18.547 -0.924 -3.436
38 HG LEU 31 HG LEU 31 20.793 1.002 -2.840
39 HD11 LEU 31 HD11 LEU 31 21.640 0.401 -5.059
40 HD12 LEU 31 HD12 LEU 31 20.403 -0.849 -5.188
41 HD13 LEU 31 HD13 LEU 31 21.658 -0.974 -3.955
42 HD21 LEU 31 HD21 LEU 31 19.962 2.188 -4.802
43 HD22 LEU 31 HD22 LEU 31 18.712 2.065 -3.563
44 HD23 LEU 31 HD23 LEU 31 18.661 1.009 -4.974
45 H PHE 32 HN PHE 32 19.069 -1.763 -0.063
46 HA PHE 32 HA PHE 32 16.861 -3.443 -0.327
47 HB2 PHE 32 HB2 PHE 32 18.619 -3.181 2.119
48 HB3 PHE 32 HB1 PHE 32 17.676 -4.589 1.642
49 HD1 PHE 32 HD1 PHE 32 18.268 -5.664 -0.625
50 HD2 PHE 32 HD2 PHE 32 20.834 -2.996 1.474
51 HE1 PHE 32 HE1 PHE 32 20.194 -6.527 -1.891
52 HE2 PHE 32 HE2 PHE 32 22.765 -3.853 0.211
53 HZ PHE 32 HZ PHE 32 22.445 -5.620 -1.474
54 H LEU 33 HN LEU 33 17.503 -0.896 2.054
55 HA LEU 33 HA LEU 33 15.183 -1.332 3.603
56 HB2 LEU 33 HB2 LEU 33 16.889 1.122 3.250
57 HB3 LEU 33 HB1 LEU 33 15.598 0.988 4.428
58 HG LEU 33 HG LEU 33 18.126 -0.658 4.351
59 HD11 LEU 33 HD11 LEU 33 17.123 1.432 6.268
60 HD12 LEU 33 HD12 LEU 33 18.469 1.602 5.143
61 HD13 LEU 33 HD13 LEU 33 18.580 0.464 6.484
62 HD21 LEU 33 HD21 LEU 33 17.319 -1.603 6.483
63 HD22 LEU 33 HD22 LEU 33 16.291 -2.039 5.118
64 HD23 LEU 33 HD23 LEU 33 15.777 -0.782 6.241
65 H SER 34 HN SER 34 15.789 0.462 0.675
66 HA SER 34 HA SER 34 13.401 2.015 0.732
67 HB2 SER 34 HB2 SER 34 15.169 1.243 -1.602
68 HB3 SER 34 HB1 SER 34 13.906 2.473 -1.644
69 HG SER 34 HG SER 34 15.103 3.773 -0.399
70 H LEU 35 HN LEU 35 14.289 -1.106 -0.637
71 HA LEU 35 HA LEU 35 11.899 -1.512 -2.108
72 HB2 LEU 35 HB2 LEU 35 13.981 -2.740 -2.551
73 HB3 LEU 35 HB1 LEU 35 13.848 -3.531 -0.991
74 HG LEU 35 HG LEU 35 11.535 -3.854 -2.810
75 HD11 LEU 35 HD11 LEU 35 13.385 -4.048 -4.379
76 HD12 LEU 35 HD12 LEU 35 12.641 -5.620 -4.085
77 HD13 LEU 35 HD13 LEU 35 14.177 -5.214 -3.319
78 HD21 LEU 35 HD21 LEU 35 11.606 -4.923 -0.622
79 HD22 LEU 35 HD22 LEU 35 13.110 -5.736 -1.055
80 HD23 LEU 35 HD23 LEU 35 11.617 -6.129 -1.909
81 H PHE 36 HN PHE 36 12.731 -1.841 1.221
82 HA PHE 36 HA PHE 36 10.644 -3.660 1.937
83 HB2 PHE 36 HB2 PHE 36 12.904 -2.697 3.183
84 HB3 PHE 36 HB1 PHE 36 11.612 -1.882 4.056
85 HD1 PHE 36 HD1 PHE 36 13.509 -4.847 3.761
86 HD2 PHE 36 HD2 PHE 36 9.686 -3.379 4.920
87 HE1 PHE 36 HE1 PHE 36 13.132 -6.885 5.089
88 HE2 PHE 36 HE2 PHE 36 9.304 -5.413 6.250
89 HZ PHE 36 HZ PHE 36 11.028 -7.169 6.336
90 H SER 37 HN SER 37 10.643 -0.433 1.036
91 HA SER 37 HA SER 37 8.418 0.354 2.732
92 HB2 SER 37 HB2 SER 37 9.824 1.867 0.519
93 HB3 SER 37 HB1 SER 37 8.613 2.536 1.613
94 HG SER 37 HG SER 37 10.299 1.553 3.235
95 H PHE 38 HN PHE 38 9.019 -0.646 -0.569
96 HA PHE 38 HA PHE 38 6.556 0.171 -1.681
97 HB2 PHE 38 HB2 PHE 38 8.447 -2.042 -2.469
98 HB3 PHE 38 HB1 PHE 38 7.049 -1.572 -3.424
99 HD1 PHE 38 HD1 PHE 38 7.046 0.442 -4.721
100 HD2 PHE 38 HD2 PHE 38 10.364 -0.540 -2.243
101 HE1 PHE 38 HE1 PHE 38 8.389 2.174 -5.838
102 HE2 PHE 38 HE2 PHE 38 11.713 1.192 -3.355
103 HZ PHE 38 HZ PHE 38 10.715 2.550 -5.169
104 H LEU 39 HN LEU 39 7.490 -2.591 0.222
105 HA LEU 39 HA LEU 39 5.186 -4.164 -0.386
106 HB2 LEU 39 HB2 LEU 39 7.431 -4.964 0.542
107 HB3 LEU 39 HB1 LEU 39 6.865 -4.394 2.101
108 HG LEU 39 HG LEU 39 5.138 -6.266 0.569
109 HD11 LEU 39 HD11 LEU 39 7.542 -7.136 2.168
110 HD12 LEU 39 HD12 LEU 39 7.375 -7.259 0.417
111 HD13 LEU 39 HD13 LEU 39 6.315 -8.194 1.471
112 HD21 LEU 39 HD21 LEU 39 4.557 -7.035 2.809
113 HD22 LEU 39 HD22 LEU 39 4.357 -5.288 2.673
114 HD23 LEU 39 HD23 LEU 39 5.763 -5.952 3.503
115 H ILE 40 HN ILE 40 5.994 -1.719 1.956
116 HA ILE 40 HA ILE 40 3.693 -2.158 3.617
117 HB ILE 40 HB ILE 40 5.440 0.301 3.494
118 HG12 ILE 40 HG12 ILE 40 5.752 -2.110 5.296
119 HG13 ILE 40 HG11 ILE 40 6.728 -1.822 3.858
120 HG21 ILE 40 HG21 ILE 40 3.672 -0.800 5.676
121 HG22 ILE 40 HG22 ILE 40 3.339 0.618 4.681
122 HG23 ILE 40 HG23 ILE 40 4.696 0.629 5.806
123 HD11 ILE 40 HD11 ILE 40 7.581 0.236 4.848
124 HD12 ILE 40 HD12 ILE 40 7.903 -1.162 5.876
125 HD13 ILE 40 HD13 ILE 40 6.599 -0.048 6.285
126 H VAL 41 HN VAL 41 4.537 -0.039 0.936
127 HA VAL 41 HA VAL 41 2.247 1.636 1.178
128 HB VAL 41 HB VAL 41 4.417 2.218 -0.015
129 HG11 VAL 41 HG11 VAL 41 4.626 0.244 -1.383
130 HG12 VAL 41 HG12 VAL 41 4.508 1.675 -2.406
131 HG13 VAL 41 HG13 VAL 41 3.111 0.617 -2.201
132 HG21 VAL 41 HG21 VAL 41 3.271 3.646 -1.651
133 HG22 VAL 41 HG22 VAL 41 2.454 3.650 -0.087
134 HG23 VAL 41 HG23 VAL 41 1.795 2.707 -1.424
135 H LEU 42 HN LEU 42 2.934 -1.355 -0.513
136 HA LEU 42 HA LEU 42 0.539 -1.253 -2.107
137 HB2 LEU 42 HB2 LEU 42 2.503 -3.477 -1.558
138 HB3 LEU 42 HB1 LEU 42 1.127 -3.633 -2.642
139 HG LEU 42 HG LEU 42 3.385 -1.657 -3.004
140 HD11 LEU 42 HD11 LEU 42 4.171 -3.941 -3.280
141 HD12 LEU 42 HD12 LEU 42 4.097 -3.116 -4.836
142 HD13 LEU 42 HD13 LEU 42 2.846 -4.278 -4.394
143 HD21 LEU 42 HD21 LEU 42 2.426 -1.371 -5.247
144 HD22 LEU 42 HD22 LEU 42 1.297 -0.890 -3.980
145 HD23 LEU 42 HD23 LEU 42 1.092 -2.437 -4.804
146 H LEU 43 HN LEU 43 1.599 -3.033 0.777
147 HA LEU 43 HA LEU 43 -0.671 -4.605 1.145
148 HB2 LEU 43 HB2 LEU 43 1.610 -4.583 2.386
149 HB3 LEU 43 HB1 LEU 43 0.852 -3.413 3.445
150 HG LEU 43 HG LEU 43 0.840 -5.748 4.314
151 HD11 LEU 43 HD11 LEU 43 -1.919 -4.653 3.816
152 HD12 LEU 43 HD12 LEU 43 -0.804 -4.047 5.040
153 HD13 LEU 43 HD13 LEU 43 -1.408 -5.700 5.139
154 HD21 LEU 43 HD21 LEU 43 -1.119 -6.249 2.078
155 HD22 LEU 43 HD22 LEU 43 -0.690 -7.374 3.366
156 HD23 LEU 43 HD23 LEU 43 0.518 -6.898 2.174
157 H LEU 44 HN LEU 44 0.002 -1.297 2.197
158 HA LEU 44 HA LEU 44 -2.363 -0.990 3.732
159 HB2 LEU 44 HB2 LEU 44 -0.509 1.027 2.481
160 HB3 LEU 44 HB1 LEU 44 -1.859 1.467 3.507
161 HG LEU 44 HG LEU 44 0.490 -0.227 4.361
162 HD11 LEU 44 HD11 LEU 44 1.125 2.091 3.961
163 HD12 LEU 44 HD12 LEU 44 1.133 1.723 5.685
164 HD13 LEU 44 HD13 LEU 44 -0.200 2.640 4.986
165 HD21 LEU 44 HD21 LEU 44 -1.818 0.904 5.939
166 HD22 LEU 44 HD22 LEU 44 -0.425 0.061 6.615
167 HD23 LEU 44 HD23 LEU 44 -1.550 -0.797 5.562
168 H THR 45 HN THR 45 -1.513 0.145 0.457
169 HA THR 45 HA THR 45 -3.846 1.466 -0.175
170 HB THR 45 HB THR 45 -3.360 0.807 -2.578
171 HG1 THR 45 HG1 THR 45 -0.855 -0.052 -2.077
172 HG21 THR 45 HG21 THR 45 -1.149 2.012 -0.911
173 HG22 THR 45 HG22 THR 45 -2.511 2.873 -1.630
174 HG23 THR 45 HG23 THR 45 -1.283 2.142 -2.665
175 H THR 46 HN THR 46 -3.361 -1.960 0.106
176 HA THR 46 HA THR 46 -5.478 -2.864 -1.505
177 HB THR 46 HB THR 46 -4.415 -4.148 1.019
178 HG1 THR 46 HG1 THR 46 -2.753 -3.889 -0.485
179 HG21 THR 46 HG21 THR 46 -5.290 -6.221 0.118
180 HG22 THR 46 HG22 THR 46 -5.867 -5.384 -1.324
181 HG23 THR 46 HG23 THR 46 -6.596 -5.040 0.246
182 H LEU 47 HN LEU 47 -5.412 -2.496 2.045
183 HA LEU 47 HA LEU 47 -8.279 -2.705 2.208
184 HB2 LEU 47 HB2 LEU 47 -6.183 -2.079 4.287
185 HB3 LEU 47 HB1 LEU 47 -7.891 -2.246 4.641
186 HG LEU 47 HG LEU 47 -6.827 -4.284 5.257
187 HD11 LEU 47 HD11 LEU 47 -7.955 -5.915 3.843
188 HD12 LEU 47 HD12 LEU 47 -8.209 -4.682 2.609
189 HD13 LEU 47 HD13 LEU 47 -8.998 -4.533 4.179
190 HD21 LEU 47 HD21 LEU 47 -5.465 -5.608 3.769
191 HD22 LEU 47 HD22 LEU 47 -4.788 -3.985 3.901
192 HD23 LEU 47 HD23 LEU 47 -5.702 -4.447 2.465
193 H PHE 48 HN PHE 48 -5.999 -0.182 1.830
194 HA PHE 48 HA PHE 48 -7.545 1.916 3.004
195 HB2 PHE 48 HB2 PHE 48 -5.113 2.097 2.793
196 HB3 PHE 48 HB1 PHE 48 -5.245 2.036 1.040
197 HD1 PHE 48 HD1 PHE 48 -5.941 3.952 -0.221
198 HD2 PHE 48 HD2 PHE 48 -5.813 4.077 4.030
199 HE1 PHE 48 HE1 PHE 48 -6.147 6.403 -0.290
200 HE2 PHE 48 HE2 PHE 48 -6.020 6.527 3.969
201 HZ PHE 48 HZ PHE 48 -6.193 7.693 1.812
202 H CYS 49 HN CYS 49 -7.308 0.488 -0.185
203 HA CYS 49 HA CYS 49 -8.817 2.583 -1.464
204 HB2 CYS 49 HB2 CYS 49 -7.139 1.318 -2.724
205 HB3 CYS 49 HB1 CYS 49 -8.044 -0.167 -2.456
206 HG CYS 49 HG CYS 49 -9.217 2.505 -4.246
207 H LEU 50 HN LEU 50 -9.458 -0.590 -0.114
208 HA LEU 50 HA LEU 50 -12.065 -0.914 -1.159
209 HB2 LEU 50 HB2 LEU 50 -10.874 -2.051 1.376
210 HB3 LEU 50 HB1 LEU 50 -12.332 -2.628 0.574
211 HG LEU 50 HG LEU 50 -9.633 -2.634 -0.768
212 HD11 LEU 50 HD11 LEU 50 -9.673 -3.988 1.353
213 HD12 LEU 50 HD12 LEU 50 -9.309 -4.886 -0.120
214 HD13 LEU 50 HD13 LEU 50 -10.919 -4.984 0.599
215 HD21 LEU 50 HD21 LEU 50 -11.509 -2.765 -2.280
216 HD22 LEU 50 HD22 LEU 50 -12.227 -4.063 -1.326
217 HD23 LEU 50 HD23 LEU 50 -10.714 -4.337 -2.189
218 H LEU 51 HN LEU 51 -10.796 0.742 1.647
219 HA LEU 51 HA LEU 51 -13.382 1.174 2.842
220 HB2 LEU 51 HB2 LEU 51 -10.655 2.320 3.434
221 HB3 LEU 51 HB1 LEU 51 -12.094 2.708 4.360
222 HG LEU 51 HG LEU 51 -10.949 -0.072 4.072
223 HD11 LEU 51 HD11 LEU 51 -10.201 0.212 6.386
224 HD12 LEU 51 HD12 LEU 51 -10.737 1.892 6.351
225 HD13 LEU 51 HD13 LEU 51 -9.420 1.364 5.303
226 HD21 LEU 51 HD21 LEU 51 -13.355 -0.028 4.494
227 HD22 LEU 51 HD22 LEU 51 -13.097 1.029 5.882
228 HD23 LEU 51 HD23 LEU 51 -12.472 -0.620 5.901
229 H HIS 52 HN HIS 52 -11.263 2.861 0.653
230 HA HIS 52 HA HIS 52 -12.495 5.421 0.904
231 HB2 HIS 52 HB2 HIS 52 -10.196 5.139 0.064
232 HB3 HIS 52 HB1 HIS 52 -10.820 4.301 -1.353
233 HD1 HIS 52 HD1 HIS 52 -11.950 5.739 -3.180
234 HD2 HIS 52 HD2 HIS 52 -10.484 7.924 0.037
235 HE1 HIS 52 HE1 HIS 52 -11.992 8.142 -3.923
236 HE2 HIS 52 HE2 HIS 52 -11.018 9.435 -1.993
237 H PHE 53 HN PHE 53 -12.952 2.656 -1.239
238 HA PHE 53 HA PHE 53 -15.030 4.082 -2.711
239 HB2 PHE 53 HB2 PHE 53 -13.664 1.427 -3.118
240 HB3 PHE 53 HB1 PHE 53 -15.093 1.891 -4.038
241 HD1 PHE 53 HD1 PHE 53 -14.843 3.054 -6.012
242 HD2 PHE 53 HD2 PHE 53 -11.683 3.110 -3.164
243 HE1 PHE 53 HE1 PHE 53 -13.423 4.258 -7.618
244 HE2 PHE 53 HE2 PHE 53 -10.256 4.317 -4.764
245 HZ PHE 53 HZ PHE 53 -11.125 4.892 -6.995
246 H GLY 54 HN GLY 54 -14.675 1.791 -0.176
247 HA2 GLY 54 HA2 GLY 54 -16.245 0.855 1.220
248 HA3 GLY 54 HA1 GLY 54 -17.460 1.827 0.407
249 H VAL 55 HN VAL 55 -15.610 -0.104 -1.693
250 HA VAL 55 HA VAL 55 -17.830 -1.572 -2.585
251 HB VAL 55 HB VAL 55 -15.753 -3.101 -3.466
252 HG11 VAL 55 HG11 VAL 55 -15.885 -1.757 -5.518
253 HG12 VAL 55 HG12 VAL 55 -16.749 -0.502 -4.629
254 HG13 VAL 55 HG13 VAL 55 -17.479 -2.092 -4.843
255 HG21 VAL 55 HG21 VAL 55 -13.890 -1.658 -4.011
256 HG22 VAL 55 HG22 VAL 55 -14.123 -1.676 -2.264
257 HG23 VAL 55 HG23 VAL 55 -14.671 -0.296 -3.212
258 H ILE 56 HN ILE 56 -14.914 -3.168 -1.377
259 HA ILE 56 HA ILE 56 -16.523 -4.763 0.461
260 HB ILE 56 HB ILE 56 -15.242 -6.832 -0.410
261 HG12 ILE 56 HG12 ILE 56 -15.345 -6.064 -3.140
262 HG13 ILE 56 HG11 ILE 56 -14.395 -4.846 -2.295
263 HG21 ILE 56 HG21 ILE 56 -17.037 -7.313 -2.014
264 HG22 ILE 56 HG22 ILE 56 -17.494 -5.610 -1.997
265 HG23 ILE 56 HG23 ILE 56 -17.651 -6.580 -0.532
266 HD11 ILE 56 HD11 ILE 56 -12.913 -6.560 -1.443
267 HD12 ILE 56 HD12 ILE 56 -13.013 -6.646 -3.201
268 HD13 ILE 56 HD13 ILE 56 -13.890 -7.811 -2.209
269 H GLY 57 HN GLY 57 -15.454 -3.894 2.206
270 HA2 GLY 57 HA2 GLY 57 -12.642 -4.734 2.478
271 HA3 GLY 57 HA1 GLY 57 -13.125 -3.103 2.919
272 HA PRO 58 HA PRO 58 -14.188 -4.213 7.037
273 HB2 PRO 58 HB2 PRO 58 -17.011 -3.405 6.588
274 HB3 PRO 58 HB1 PRO 58 -15.860 -2.843 7.804
275 HG2 PRO 58 HG2 PRO 58 -16.500 -1.307 5.723
276 HG3 PRO 58 HG1 PRO 58 -14.839 -1.359 6.345
277 HD2 PRO 58 HD2 PRO 58 -15.995 -2.654 3.912
278 HD3 PRO 58 HD1 PRO 58 -14.400 -1.909 4.145
279 H GLN 59 HN GLN 59 -16.419 -5.294 4.552
280 HA GLN 59 HA GLN 59 -17.694 -7.168 4.316
281 HB2 GLN 59 HB2 GLN 59 -15.554 -8.314 6.120
282 HB3 GLN 59 HB1 GLN 59 -16.719 -9.267 5.212
283 HG2 GLN 59 HG2 GLN 59 -14.615 -7.456 4.050
284 HG3 GLN 59 HG1 GLN 59 -14.571 -9.217 4.096
285 HE21 GLN 59 HE21 GLN 59 -14.457 -7.447 1.807
286 HE22 GLN 59 HE22 GLN 59 -15.793 -7.868 0.795
287 H ARG 60 HN ARG 60 -19.458 -6.193 5.460
288 HA ARG 60 HA ARG 60 -19.790 -6.680 8.274
289 HB2 ARG 60 HB2 ARG 60 -20.727 -4.681 7.133
290 HB3 ARG 60 HB1 ARG 60 -21.822 -5.731 6.245
291 HG2 ARG 60 HG2 ARG 60 -23.053 -4.804 8.036
292 HG3 ARG 60 HG1 ARG 60 -22.736 -6.489 8.453
293 HD2 ARG 60 HD2 ARG 60 -20.850 -5.772 9.855
294 HD3 ARG 60 HD1 ARG 60 -21.203 -4.092 9.456
295 HE ARG 60 HE ARG 60 -23.415 -5.530 10.620
296 HH11 ARG 60 HH11 ARG 60 -20.592 -3.583 11.242
297 HH12 ARG 60 HH12 ARG 60 -21.145 -3.047 12.793
298 HH21 ARG 60 HH21 ARG 60 -24.152 -4.829 12.657
299 HH22 ARG 60 HH22 ARG 60 -23.170 -3.757 13.599
Start of MODEL 19
1 H1 ARG 28 HT1 ARG 28 20.127 1.106 -10.662
2 H2 ARG 28 HT2 ARG 28 19.619 2.149 -11.893
3 H3 ARG 28 HT3 ARG 28 18.543 1.703 -10.667
4 HA ARG 28 HA ARG 28 21.015 3.288 -10.282
5 HB2 ARG 28 HB2 ARG 28 19.271 4.524 -11.506
6 HB3 ARG 28 HB1 ARG 28 18.114 4.147 -10.237
7 HG2 ARG 28 HG2 ARG 28 18.889 6.396 -9.956
8 HG3 ARG 28 HG1 ARG 28 19.512 5.405 -8.637
9 HD2 ARG 28 HD2 ARG 28 21.663 5.224 -9.784
10 HD3 ARG 28 HD1 ARG 28 21.039 6.199 -11.115
11 HE ARG 28 HE ARG 28 20.670 7.787 -8.955
12 HH11 ARG 28 HH11 ARG 28 23.427 6.059 -10.207
13 HH12 ARG 28 HH12 ARG 28 24.577 7.212 -9.619
14 HH21 ARG 28 HH21 ARG 28 22.176 9.310 -8.182
15 HH22 ARG 28 HH22 ARG 28 23.866 9.064 -8.470
16 H ARG 29 HN ARG 29 17.846 2.587 -8.800
17 HA ARG 29 HA ARG 29 19.178 2.531 -6.179
18 HB2 ARG 29 HB2 ARG 29 17.327 4.170 -6.496
19 HB3 ARG 29 HB1 ARG 29 16.232 2.828 -6.792
20 HG2 ARG 29 HG2 ARG 29 15.881 3.419 -4.559
21 HG3 ARG 29 HG1 ARG 29 16.896 1.979 -4.491
22 HD2 ARG 29 HD2 ARG 29 17.983 4.785 -4.366
23 HD3 ARG 29 HD1 ARG 29 17.546 3.852 -2.935
24 HE ARG 29 HE ARG 29 19.234 2.178 -4.111
25 HH11 ARG 29 HH11 ARG 29 19.478 5.622 -3.628
26 HH12 ARG 29 HH12 ARG 29 21.207 5.613 -3.518
27 HH21 ARG 29 HH21 ARG 29 21.510 2.158 -3.961
28 HH22 ARG 29 HH22 ARG 29 22.361 3.644 -3.705
29 H CYS 30 HN CYS 30 18.906 0.802 -4.791
30 HA CYS 30 HA CYS 30 18.639 -1.745 -5.912
31 HB2 CYS 30 HB2 CYS 30 18.392 -0.902 -3.018
32 HB3 CYS 30 HB1 CYS 30 18.611 -2.559 -3.573
33 HG CYS 30 HG CYS 30 21.073 -1.416 -4.982
34 H LEU 31 HN LEU 31 16.948 -2.987 -6.364
35 HA LEU 31 HA LEU 31 14.289 -1.986 -5.994
36 HB2 LEU 31 HB2 LEU 31 15.063 -3.233 -8.008
37 HB3 LEU 31 HB1 LEU 31 15.184 -4.677 -7.024
38 HG LEU 31 HG LEU 31 12.553 -3.296 -7.073
39 HD11 LEU 31 HD11 LEU 31 11.929 -4.385 -9.165
40 HD12 LEU 31 HD12 LEU 31 13.587 -4.948 -9.374
41 HD13 LEU 31 HD13 LEU 31 13.230 -3.222 -9.418
42 HD21 LEU 31 HD21 LEU 31 12.877 -5.291 -5.723
43 HD22 LEU 31 HD22 LEU 31 13.427 -6.183 -7.140
44 HD23 LEU 31 HD23 LEU 31 11.759 -5.621 -7.045
45 H PHE 32 HN PHE 32 16.349 -4.239 -4.349
46 HA PHE 32 HA PHE 32 14.202 -5.515 -2.903
47 HB2 PHE 32 HB2 PHE 32 16.310 -6.702 -3.489
48 HB3 PHE 32 HB1 PHE 32 17.181 -5.635 -2.394
49 HD1 PHE 32 HD1 PHE 32 14.754 -8.378 -2.623
50 HD2 PHE 32 HD2 PHE 32 17.058 -5.921 -0.022
51 HE1 PHE 32 HE1 PHE 32 14.273 -9.908 -0.758
52 HE2 PHE 32 HE2 PHE 32 16.582 -7.446 1.848
53 HZ PHE 32 HZ PHE 32 15.185 -9.448 1.477
54 H LEU 33 HN LEU 33 16.450 -2.884 -2.399
55 HA LEU 33 HA LEU 33 15.868 -2.646 0.415
56 HB2 LEU 33 HB2 LEU 33 17.399 -0.905 -1.499
57 HB3 LEU 33 HB1 LEU 33 17.184 -0.514 0.196
58 HG LEU 33 HG LEU 33 18.636 -2.914 -0.919
59 HD11 LEU 33 HD11 LEU 33 19.877 -0.848 -1.118
60 HD12 LEU 33 HD12 LEU 33 20.581 -1.863 0.142
61 HD13 LEU 33 HD13 LEU 33 19.576 -0.483 0.580
62 HD21 LEU 33 HD21 LEU 33 17.476 -3.533 1.126
63 HD22 LEU 33 HD22 LEU 33 18.127 -2.114 1.947
64 HD23 LEU 33 HD23 LEU 33 19.210 -3.403 1.422
65 H SER 34 HN SER 34 15.022 -0.889 -2.544
66 HA SER 34 HA SER 34 13.542 1.153 -1.276
67 HB2 SER 34 HB2 SER 34 12.612 1.599 -3.507
68 HB3 SER 34 HB1 SER 34 14.355 1.348 -3.592
69 HG SER 34 HG SER 34 12.964 -0.972 -3.874
70 H LEU 35 HN LEU 35 12.731 -2.079 -2.345
71 HA LEU 35 HA LEU 35 9.921 -1.854 -2.212
72 HB2 LEU 35 HB2 LEU 35 11.126 -3.684 -3.355
73 HB3 LEU 35 HB1 LEU 35 11.638 -4.299 -1.795
74 HG LEU 35 HG LEU 35 9.278 -4.714 -1.198
75 HD11 LEU 35 HD11 LEU 35 7.559 -4.590 -2.936
76 HD12 LEU 35 HD12 LEU 35 8.726 -3.856 -4.035
77 HD13 LEU 35 HD13 LEU 35 8.233 -3.001 -2.574
78 HD21 LEU 35 HD21 LEU 35 8.938 -6.611 -2.709
79 HD22 LEU 35 HD22 LEU 35 10.615 -6.496 -2.172
80 HD23 LEU 35 HD23 LEU 35 10.169 -5.962 -3.792
81 H PHE 36 HN PHE 36 12.313 -1.986 0.220
82 HA PHE 36 HA PHE 36 10.981 -3.267 2.310
83 HB2 PHE 36 HB2 PHE 36 13.382 -2.554 2.320
84 HB3 PHE 36 HB1 PHE 36 12.842 -0.896 2.562
85 HD1 PHE 36 HD1 PHE 36 13.181 -4.202 4.093
86 HD2 PHE 36 HD2 PHE 36 11.972 -0.165 4.685
87 HE1 PHE 36 HE1 PHE 36 13.146 -4.573 6.526
88 HE2 PHE 36 HE2 PHE 36 11.935 -0.528 7.118
89 HZ PHE 36 HZ PHE 36 12.524 -2.734 8.041
90 H SER 37 HN SER 37 10.558 -0.089 0.955
91 HA SER 37 HA SER 37 8.753 0.663 3.141
92 HB2 SER 37 HB2 SER 37 9.868 2.330 0.873
93 HB3 SER 37 HB1 SER 37 8.840 2.931 2.174
94 HG SER 37 HG SER 37 11.310 3.041 2.305
95 H PHE 38 HN PHE 38 8.838 0.207 -0.364
96 HA PHE 38 HA PHE 38 6.216 1.050 -0.913
97 HB2 PHE 38 HB2 PHE 38 7.947 -0.961 -2.349
98 HB3 PHE 38 HB1 PHE 38 6.436 -0.323 -2.986
99 HD1 PHE 38 HD1 PHE 38 6.440 2.443 -2.637
100 HD2 PHE 38 HD2 PHE 38 9.783 -0.077 -3.402
101 HE1 PHE 38 HE1 PHE 38 7.650 4.350 -3.615
102 HE2 PHE 38 HE2 PHE 38 10.998 1.825 -4.383
103 HZ PHE 38 HZ PHE 38 9.938 4.034 -4.496
104 H LEU 39 HN LEU 39 7.423 -1.829 0.540
105 HA LEU 39 HA LEU 39 5.177 -3.494 -0.057
106 HB2 LEU 39 HB2 LEU 39 7.550 -4.201 0.619
107 HB3 LEU 39 HB1 LEU 39 7.051 -3.863 2.264
108 HG LEU 39 HG LEU 39 5.415 -5.717 0.590
109 HD11 LEU 39 HD11 LEU 39 7.911 -6.501 2.087
110 HD12 LEU 39 HD12 LEU 39 7.735 -6.469 0.332
111 HD13 LEU 39 HD13 LEU 39 6.779 -7.598 1.294
112 HD21 LEU 39 HD21 LEU 39 6.042 -5.544 3.536
113 HD22 LEU 39 HD22 LEU 39 5.001 -6.754 2.785
114 HD23 LEU 39 HD23 LEU 39 4.541 -5.052 2.751
115 H ILE 40 HN ILE 40 6.120 -1.433 2.645
116 HA ILE 40 HA ILE 40 3.933 -2.162 4.322
117 HB ILE 40 HB ILE 40 5.594 0.359 4.415
118 HG12 ILE 40 HG12 ILE 40 6.009 -2.245 5.903
119 HG13 ILE 40 HG11 ILE 40 6.945 -1.744 4.498
120 HG21 ILE 40 HG21 ILE 40 3.486 0.430 5.694
121 HG22 ILE 40 HG22 ILE 40 4.910 0.490 6.733
122 HG23 ILE 40 HG23 ILE 40 3.996 -1.009 6.577
123 HD11 ILE 40 HD11 ILE 40 6.840 -0.351 7.164
124 HD12 ILE 40 HD12 ILE 40 7.736 0.213 5.754
125 HD13 ILE 40 HD13 ILE 40 8.174 -1.312 6.526
126 H VAL 41 HN VAL 41 4.493 0.328 1.911
127 HA VAL 41 HA VAL 41 2.113 1.802 2.505
128 HB VAL 41 HB VAL 41 4.241 2.671 1.354
129 HG11 VAL 41 HG11 VAL 41 4.212 2.581 -1.087
130 HG12 VAL 41 HG12 VAL 41 2.829 1.491 -1.025
131 HG13 VAL 41 HG13 VAL 41 4.381 0.981 -0.369
132 HG21 VAL 41 HG21 VAL 41 2.238 4.019 1.673
133 HG22 VAL 41 HG22 VAL 41 1.529 3.333 0.211
134 HG23 VAL 41 HG23 VAL 41 2.968 4.348 0.101
135 H LEU 42 HN LEU 42 2.870 -0.958 0.578
136 HA LEU 42 HA LEU 42 0.555 -0.741 -1.131
137 HB2 LEU 42 HB2 LEU 42 2.899 -1.965 -1.474
138 HB3 LEU 42 HB1 LEU 42 2.008 -3.317 -0.788
139 HG LEU 42 HG LEU 42 1.982 -3.410 -3.218
140 HD11 LEU 42 HD11 LEU 42 -0.715 -2.673 -2.094
141 HD12 LEU 42 HD12 LEU 42 0.039 -4.266 -2.027
142 HD13 LEU 42 HD13 LEU 42 -0.424 -3.575 -3.583
143 HD21 LEU 42 HD21 LEU 42 0.842 -1.692 -4.537
144 HD22 LEU 42 HD22 LEU 42 2.251 -1.043 -3.700
145 HD23 LEU 42 HD23 LEU 42 0.631 -0.717 -3.083
146 H LEU 43 HN LEU 43 1.576 -2.997 1.437
147 HA LEU 43 HA LEU 43 -0.671 -4.559 1.613
148 HB2 LEU 43 HB2 LEU 43 1.415 -4.920 2.878
149 HB3 LEU 43 HB1 LEU 43 1.001 -3.576 3.925
150 HG LEU 43 HG LEU 43 -1.039 -4.826 4.638
151 HD11 LEU 43 HD11 LEU 43 -1.167 -7.216 4.162
152 HD12 LEU 43 HD12 LEU 43 0.230 -7.084 3.095
153 HD13 LEU 43 HD13 LEU 43 -1.275 -6.262 2.683
154 HD21 LEU 43 HD21 LEU 43 0.977 -4.846 5.999
155 HD22 LEU 43 HD22 LEU 43 1.602 -6.214 5.079
156 HD23 LEU 43 HD23 LEU 43 0.160 -6.406 6.075
157 H LEU 44 HN LEU 44 -0.215 -1.304 2.864
158 HA LEU 44 HA LEU 44 -2.677 -1.340 4.365
159 HB2 LEU 44 HB2 LEU 44 -0.860 0.951 3.625
160 HB3 LEU 44 HB1 LEU 44 -2.221 1.060 4.725
161 HG LEU 44 HG LEU 44 0.281 -0.577 5.154
162 HD11 LEU 44 HD11 LEU 44 0.680 1.794 5.411
163 HD12 LEU 44 HD12 LEU 44 0.672 1.012 6.993
164 HD13 LEU 44 HD13 LEU 44 -0.729 1.943 6.462
165 HD21 LEU 44 HD21 LEU 44 -1.648 -1.688 6.129
166 HD22 LEU 44 HD22 LEU 44 -2.134 -0.189 6.921
167 HD23 LEU 44 HD23 LEU 44 -0.638 -0.993 7.396
168 H THR 45 HN THR 45 -1.551 0.336 1.425
169 HA THR 45 HA THR 45 -3.936 1.660 0.839
170 HB THR 45 HB THR 45 -3.106 1.667 -1.549
171 HG1 THR 45 HG1 THR 45 -0.683 0.967 -1.381
172 HG21 THR 45 HG21 THR 45 -2.564 3.478 -0.033
173 HG22 THR 45 HG22 THR 45 -1.162 3.107 -1.036
174 HG23 THR 45 HG23 THR 45 -1.222 2.552 0.637
175 H THR 46 HN THR 46 -3.126 -1.682 0.455
176 HA THR 46 HA THR 46 -4.854 -2.372 -1.643
177 HB THR 46 HB THR 46 -4.090 -4.085 0.729
178 HG1 THR 46 HG1 THR 46 -2.407 -4.786 -0.659
179 HG21 THR 46 HG21 THR 46 -5.001 -4.884 -2.039
180 HG22 THR 46 HG22 THR 46 -6.002 -4.946 -0.589
181 HG23 THR 46 HG23 THR 46 -4.573 -5.972 -0.719
182 H LEU 47 HN LEU 47 -5.432 -2.764 1.866
183 HA LEU 47 HA LEU 47 -8.225 -3.235 1.446
184 HB2 LEU 47 HB2 LEU 47 -6.354 -3.175 3.746
185 HB3 LEU 47 HB1 LEU 47 -8.053 -2.938 4.083
186 HG LEU 47 HG LEU 47 -8.558 -5.095 2.992
187 HD11 LEU 47 HD11 LEU 47 -6.735 -6.624 2.447
188 HD12 LEU 47 HD12 LEU 47 -5.562 -5.354 2.801
189 HD13 LEU 47 HD13 LEU 47 -6.678 -5.171 1.448
190 HD21 LEU 47 HD21 LEU 47 -6.499 -5.228 5.190
191 HD22 LEU 47 HD22 LEU 47 -7.612 -6.522 4.746
192 HD23 LEU 47 HD23 LEU 47 -8.235 -5.006 5.398
193 H PHE 48 HN PHE 48 -6.221 -0.525 2.399
194 HA PHE 48 HA PHE 48 -8.279 1.090 3.471
195 HB2 PHE 48 HB2 PHE 48 -5.948 1.546 3.970
196 HB3 PHE 48 HB1 PHE 48 -5.609 1.860 2.272
197 HD1 PHE 48 HD1 PHE 48 -5.823 4.010 1.405
198 HD2 PHE 48 HD2 PHE 48 -7.606 3.078 5.155
199 HE1 PHE 48 HE1 PHE 48 -6.348 6.390 1.742
200 HE2 PHE 48 HE2 PHE 48 -8.136 5.456 5.499
201 HZ PHE 48 HZ PHE 48 -7.506 7.115 3.791
202 H CYS 49 HN CYS 49 -7.200 0.493 0.201
203 HA CYS 49 HA CYS 49 -8.617 2.760 -0.888
204 HB2 CYS 49 HB2 CYS 49 -6.581 1.957 -1.985
205 HB3 CYS 49 HB1 CYS 49 -7.339 0.395 -2.274
206 HG CYS 49 HG CYS 49 -7.754 3.315 -3.908
207 H LEU 50 HN LEU 50 -9.060 -0.763 -0.868
208 HA LEU 50 HA LEU 50 -11.368 -0.895 -2.418
209 HB2 LEU 50 HB2 LEU 50 -10.601 -2.625 -0.060
210 HB3 LEU 50 HB1 LEU 50 -11.811 -3.032 -1.274
211 HG LEU 50 HG LEU 50 -8.922 -2.540 -1.977
212 HD11 LEU 50 HD11 LEU 50 -10.220 -5.206 -1.440
213 HD12 LEU 50 HD12 LEU 50 -9.121 -4.386 -0.331
214 HD13 LEU 50 HD13 LEU 50 -8.546 -4.910 -1.914
215 HD21 LEU 50 HD21 LEU 50 -9.505 -3.808 -3.981
216 HD22 LEU 50 HD22 LEU 50 -10.523 -2.378 -3.805
217 HD23 LEU 50 HD23 LEU 50 -11.162 -3.970 -3.399
218 H LEU 51 HN LEU 51 -10.943 -0.121 0.973
219 HA LEU 51 HA LEU 51 -13.766 -0.127 1.549
220 HB2 LEU 51 HB2 LEU 51 -11.395 0.841 3.143
221 HB3 LEU 51 HB1 LEU 51 -13.041 0.793 3.745
222 HG LEU 51 HG LEU 51 -11.461 -1.626 2.868
223 HD11 LEU 51 HD11 LEU 51 -12.122 -0.632 5.637
224 HD12 LEU 51 HD12 LEU 51 -10.524 -0.635 4.888
225 HD13 LEU 51 HD13 LEU 51 -11.332 -2.160 5.248
226 HD21 LEU 51 HD21 LEU 51 -13.275 -2.889 3.926
227 HD22 LEU 51 HD22 LEU 51 -13.860 -1.909 2.581
228 HD23 LEU 51 HD23 LEU 51 -14.135 -1.382 4.241
229 H HIS 52 HN HIS 52 -11.262 2.333 1.043
230 HA HIS 52 HA HIS 52 -12.956 4.548 1.585
231 HB2 HIS 52 HB2 HIS 52 -10.541 4.744 1.774
232 HB3 HIS 52 HB1 HIS 52 -10.351 4.391 0.061
233 HD1 HIS 52 HD1 HIS 52 -10.182 6.374 -1.415
234 HD2 HIS 52 HD2 HIS 52 -12.049 7.274 2.187
235 HE1 HIS 52 HE1 HIS 52 -10.560 8.860 -1.457
236 HE2 HIS 52 HE2 HIS 52 -11.731 9.376 0.713
237 H PHE 53 HN PHE 53 -11.596 3.429 -1.530
238 HA PHE 53 HA PHE 53 -13.160 5.150 -3.107
239 HB2 PHE 53 HB2 PHE 53 -11.034 3.707 -3.676
240 HB3 PHE 53 HB1 PHE 53 -12.229 2.517 -4.178
241 HD1 PHE 53 HD1 PHE 53 -13.565 2.847 -6.143
242 HD2 PHE 53 HD2 PHE 53 -10.826 5.834 -4.844
243 HE1 PHE 53 HE1 PHE 53 -13.780 3.985 -8.315
244 HE2 PHE 53 HE2 PHE 53 -11.037 6.978 -7.012
245 HZ PHE 53 HZ PHE 53 -12.516 6.052 -8.751
246 H GLY 54 HN GLY 54 -13.854 2.069 -1.672
247 HA2 GLY 54 HA2 GLY 54 -15.798 0.856 -1.549
248 HA3 GLY 54 HA1 GLY 54 -16.626 2.298 -2.115
249 H VAL 55 HN VAL 55 -14.116 0.935 -4.078
250 HA VAL 55 HA VAL 55 -15.713 0.714 -6.341
251 HB VAL 55 HB VAL 55 -13.325 0.841 -6.560
252 HG11 VAL 55 HG11 VAL 55 -12.670 -0.355 -4.554
253 HG12 VAL 55 HG12 VAL 55 -11.848 -1.015 -5.968
254 HG13 VAL 55 HG13 VAL 55 -13.214 -1.872 -5.264
255 HG21 VAL 55 HG21 VAL 55 -14.472 -0.207 -8.400
256 HG22 VAL 55 HG22 VAL 55 -14.400 -1.775 -7.597
257 HG23 VAL 55 HG23 VAL 55 -12.917 -1.003 -8.156
258 H ILE 56 HN ILE 56 -14.752 -1.809 -4.049
259 HA ILE 56 HA ILE 56 -17.155 -3.278 -4.529
260 HB ILE 56 HB ILE 56 -15.547 -5.403 -5.011
261 HG12 ILE 56 HG12 ILE 56 -14.170 -4.633 -7.047
262 HG13 ILE 56 HG11 ILE 56 -14.301 -3.019 -6.364
263 HG21 ILE 56 HG21 ILE 56 -16.423 -5.365 -7.274
264 HG22 ILE 56 HG22 ILE 56 -16.821 -3.655 -7.107
265 HG23 ILE 56 HG23 ILE 56 -17.654 -4.855 -6.119
266 HD11 ILE 56 HD11 ILE 56 -13.110 -5.394 -4.956
267 HD12 ILE 56 HD12 ILE 56 -13.162 -3.733 -4.364
268 HD13 ILE 56 HD13 ILE 56 -12.199 -4.131 -5.786
269 H GLY 57 HN GLY 57 -17.589 -3.421 -2.401
270 HA2 GLY 57 HA2 GLY 57 -15.496 -4.453 -0.611
271 HA3 GLY 57 HA1 GLY 57 -16.958 -3.620 -0.103
272 HA PRO 58 HA PRO 58 -19.098 -7.406 0.600
273 HB2 PRO 58 HB2 PRO 58 -21.299 -6.628 -1.213
274 HB3 PRO 58 HB1 PRO 58 -21.334 -6.948 0.524
275 HG2 PRO 58 HG2 PRO 58 -21.574 -4.463 -0.431
276 HG3 PRO 58 HG1 PRO 58 -20.686 -4.793 1.068
277 HD2 PRO 58 HD2 PRO 58 -19.630 -4.258 -1.685
278 HD3 PRO 58 HD1 PRO 58 -19.041 -3.666 -0.117
279 H GLN 59 HN GLN 59 -20.448 -9.187 -0.627
280 HA GLN 59 HA GLN 59 -18.881 -9.889 -3.000
281 HB2 GLN 59 HB2 GLN 59 -20.654 -11.606 -1.253
282 HB3 GLN 59 HB1 GLN 59 -19.693 -12.183 -2.607
283 HG2 GLN 59 HG2 GLN 59 -18.590 -10.906 -0.116
284 HG3 GLN 59 HG1 GLN 59 -18.645 -12.639 -0.441
285 HE21 GLN 59 HE21 GLN 59 -17.160 -9.608 -1.277
286 HE22 GLN 59 HE22 GLN 59 -15.824 -10.273 -2.148
287 H ARG 60 HN ARG 60 -20.070 -8.477 -4.410
288 HA ARG 60 HA ARG 60 -22.714 -9.553 -5.144
289 HB2 ARG 60 HB2 ARG 60 -22.859 -7.287 -4.162
290 HB3 ARG 60 HB1 ARG 60 -21.770 -6.692 -5.406
291 HG2 ARG 60 HG2 ARG 60 -24.013 -6.115 -5.998
292 HG3 ARG 60 HG1 ARG 60 -23.433 -7.350 -7.117
293 HD2 ARG 60 HD2 ARG 60 -24.654 -9.060 -5.932
294 HD3 ARG 60 HD1 ARG 60 -25.137 -7.905 -4.691
295 HE ARG 60 HE ARG 60 -25.987 -7.046 -7.257
296 HH11 ARG 60 HH11 ARG 60 -26.721 -9.342 -4.738
297 HH12 ARG 60 HH12 ARG 60 -28.404 -9.433 -5.134
298 HH21 ARG 60 HH21 ARG 60 -28.202 -7.161 -7.787
299 HH22 ARG 60 HH22 ARG 60 -29.248 -8.192 -6.867
Start of MODEL 20
1 H1 ARG 28 HT1 ARG 28 24.588 0.653 -5.238
2 H2 ARG 28 HT2 ARG 28 24.471 -0.815 -6.069
3 H3 ARG 28 HT3 ARG 28 25.915 0.065 -6.109
4 HA ARG 28 HA ARG 28 26.108 -1.813 -4.626
5 HB2 ARG 28 HB2 ARG 28 27.333 0.290 -4.154
6 HB3 ARG 28 HB1 ARG 28 25.993 0.826 -3.151
7 HG2 ARG 28 HG2 ARG 28 27.688 -0.001 -1.710
8 HG3 ARG 28 HG1 ARG 28 26.372 -1.178 -1.708
9 HD2 ARG 28 HD2 ARG 28 27.608 -2.542 -3.332
10 HD3 ARG 28 HD1 ARG 28 28.925 -1.370 -3.305
11 HE ARG 28 HE ARG 28 28.179 -2.570 -0.761
12 HH11 ARG 28 HH11 ARG 28 30.353 -2.514 -3.485
13 HH12 ARG 28 HH12 ARG 28 31.610 -3.377 -2.663
14 HH21 ARG 28 HH21 ARG 28 29.829 -3.704 0.329
15 HH22 ARG 28 HH22 ARG 28 31.311 -4.053 -0.495
16 H ARG 29 HN ARG 29 23.414 0.321 -3.899
17 HA ARG 29 HA ARG 29 22.523 -1.074 -1.588
18 HB2 ARG 29 HB2 ARG 29 21.912 1.267 -2.070
19 HB3 ARG 29 HB1 ARG 29 20.973 0.730 -3.457
20 HG2 ARG 29 HG2 ARG 29 19.461 -0.481 -2.003
21 HG3 ARG 29 HG1 ARG 29 20.429 -0.037 -0.596
22 HD2 ARG 29 HD2 ARG 29 18.483 1.402 -0.771
23 HD3 ARG 29 HD1 ARG 29 19.958 2.330 -1.031
24 HE ARG 29 HE ARG 29 18.752 1.382 -3.458
25 HH11 ARG 29 HH11 ARG 29 18.769 3.925 -1.076
26 HH12 ARG 29 HH12 ARG 29 18.124 5.116 -2.155
27 HH21 ARG 29 HH21 ARG 29 17.900 2.944 -4.885
28 HH22 ARG 29 HH22 ARG 29 17.629 4.559 -4.320
29 H CYS 30 HN CYS 30 20.896 -2.580 -1.340
30 HA CYS 30 HA CYS 30 20.501 -4.363 -3.561
31 HB2 CYS 30 HB2 CYS 30 19.410 -4.432 -0.741
32 HB3 CYS 30 HB1 CYS 30 19.240 -5.729 -1.918
33 HG CYS 30 HG CYS 30 21.615 -6.767 -1.670
34 H LEU 31 HN LEU 31 18.553 -4.931 -4.531
35 HA LEU 31 HA LEU 31 16.654 -2.783 -4.764
36 HB2 LEU 31 HB2 LEU 31 16.648 -5.529 -6.017
37 HB3 LEU 31 HB1 LEU 31 15.600 -4.198 -6.467
38 HG LEU 31 HG LEU 31 18.606 -4.171 -6.739
39 HD11 LEU 31 HD11 LEU 31 18.210 -4.420 -9.132
40 HD12 LEU 31 HD12 LEU 31 16.479 -4.583 -8.835
41 HD13 LEU 31 HD13 LEU 31 17.596 -5.810 -8.237
42 HD21 LEU 31 HD21 LEU 31 17.643 -1.953 -6.448
43 HD22 LEU 31 HD22 LEU 31 16.487 -2.273 -7.742
44 HD23 LEU 31 HD23 LEU 31 18.211 -2.175 -8.104
45 H PHE 32 HN PHE 32 16.898 -5.696 -2.961
46 HA PHE 32 HA PHE 32 14.066 -6.019 -2.535
47 HB2 PHE 32 HB2 PHE 32 16.430 -7.283 -1.130
48 HB3 PHE 32 HB1 PHE 32 14.749 -7.752 -0.904
49 HD1 PHE 32 HD1 PHE 32 13.493 -8.759 -2.808
50 HD2 PHE 32 HD2 PHE 32 17.690 -8.073 -2.955
51 HE1 PHE 32 HE1 PHE 32 13.681 -10.337 -4.686
52 HE2 PHE 32 HE2 PHE 32 17.886 -9.648 -4.835
53 HZ PHE 32 HZ PHE 32 15.871 -10.777 -5.709
54 H LEU 33 HN LEU 33 16.699 -4.349 -1.023
55 HA LEU 33 HA LEU 33 15.410 -3.948 1.502
56 HB2 LEU 33 HB2 LEU 33 17.818 -2.725 0.193
57 HB3 LEU 33 HB1 LEU 33 17.231 -2.186 1.756
58 HG LEU 33 HG LEU 33 18.176 -4.977 1.095
59 HD11 LEU 33 HD11 LEU 33 20.025 -4.425 2.607
60 HD12 LEU 33 HD12 LEU 33 19.412 -2.777 2.731
61 HD13 LEU 33 HD13 LEU 33 19.993 -3.386 1.183
62 HD21 LEU 33 HD21 LEU 33 16.413 -5.022 2.768
63 HD22 LEU 33 HD22 LEU 33 17.246 -3.779 3.704
64 HD23 LEU 33 HD23 LEU 33 17.974 -5.374 3.512
65 H SER 34 HN SER 34 15.725 -2.115 -1.486
66 HA SER 34 HA SER 34 14.594 0.293 -0.497
67 HB2 SER 34 HB2 SER 34 14.748 -0.740 -3.340
68 HB3 SER 34 HB1 SER 34 14.370 0.918 -2.871
69 HG SER 34 HG SER 34 16.442 1.212 -2.900
70 H LEU 35 HN LEU 35 13.258 -2.709 -1.488
71 HA LEU 35 HA LEU 35 10.633 -1.671 -2.091
72 HB2 LEU 35 HB2 LEU 35 11.579 -3.691 -3.185
73 HB3 LEU 35 HB1 LEU 35 11.512 -4.521 -1.641
74 HG LEU 35 HG LEU 35 9.041 -4.224 -1.635
75 HD11 LEU 35 HD11 LEU 35 9.478 -3.237 -4.450
76 HD12 LEU 35 HD12 LEU 35 8.929 -2.260 -3.089
77 HD13 LEU 35 HD13 LEU 35 7.921 -3.574 -3.695
78 HD21 LEU 35 HD21 LEU 35 10.195 -5.642 -4.030
79 HD22 LEU 35 HD22 LEU 35 8.600 -5.926 -3.334
80 HD23 LEU 35 HD23 LEU 35 10.048 -6.301 -2.401
81 H PHE 36 HN PHE 36 12.341 -2.410 0.719
82 HA PHE 36 HA PHE 36 10.389 -3.528 2.378
83 HB2 PHE 36 HB2 PHE 36 12.781 -3.381 2.965
84 HB3 PHE 36 HB1 PHE 36 12.622 -1.637 3.145
85 HD1 PHE 36 HD1 PHE 36 11.380 -4.866 4.487
86 HD2 PHE 36 HD2 PHE 36 11.981 -0.710 5.180
87 HE1 PHE 36 HE1 PHE 36 10.754 -5.172 6.848
88 HE2 PHE 36 HE2 PHE 36 11.357 -1.009 7.541
89 HZ PHE 36 HZ PHE 36 10.734 -3.247 8.374
90 H SER 37 HN SER 37 10.694 -0.321 1.142
91 HA SER 37 HA SER 37 8.911 0.801 3.156
92 HB2 SER 37 HB2 SER 37 10.220 2.096 0.755
93 HB3 SER 37 HB1 SER 37 9.283 2.939 1.987
94 HG SER 37 HG SER 37 11.852 2.385 2.028
95 H PHE 38 HN PHE 38 8.972 0.457 -0.393
96 HA PHE 38 HA PHE 38 6.363 1.373 -0.852
97 HB2 PHE 38 HB2 PHE 38 7.897 -0.648 -2.488
98 HB3 PHE 38 HB1 PHE 38 6.551 0.340 -3.044
99 HD1 PHE 38 HD1 PHE 38 6.868 2.886 -2.994
100 HD2 PHE 38 HD2 PHE 38 10.080 0.106 -2.734
101 HE1 PHE 38 HE1 PHE 38 8.439 4.639 -3.710
102 HE2 PHE 38 HE2 PHE 38 11.657 1.856 -3.445
103 HZ PHE 38 HZ PHE 38 10.837 4.126 -3.935
104 H LEU 39 HN LEU 39 7.497 -1.592 0.436
105 HA LEU 39 HA LEU 39 5.254 -3.201 -0.306
106 HB2 LEU 39 HB2 LEU 39 7.566 -4.016 0.339
107 HB3 LEU 39 HB1 LEU 39 7.133 -3.673 2.002
108 HG LEU 39 HG LEU 39 5.347 -5.438 0.406
109 HD11 LEU 39 HD11 LEU 39 6.701 -7.389 0.976
110 HD12 LEU 39 HD12 LEU 39 7.950 -6.332 1.637
111 HD13 LEU 39 HD13 LEU 39 7.578 -6.287 -0.087
112 HD21 LEU 39 HD21 LEU 39 6.228 -5.383 3.290
113 HD22 LEU 39 HD22 LEU 39 5.076 -6.526 2.598
114 HD23 LEU 39 HD23 LEU 39 4.688 -4.808 2.655
115 H ILE 40 HN ILE 40 6.044 -1.087 2.352
116 HA ILE 40 HA ILE 40 3.847 -1.936 4.008
117 HB ILE 40 HB ILE 40 5.505 0.578 4.245
118 HG12 ILE 40 HG12 ILE 40 5.938 -2.034 5.700
119 HG13 ILE 40 HG11 ILE 40 6.811 -1.602 4.233
120 HG21 ILE 40 HG21 ILE 40 3.845 -0.911 6.275
121 HG22 ILE 40 HG22 ILE 40 3.416 0.618 5.509
122 HG23 ILE 40 HG23 ILE 40 4.811 0.532 6.586
123 HD11 ILE 40 HD11 ILE 40 8.111 -1.141 6.243
124 HD12 ILE 40 HD12 ILE 40 6.847 -0.048 6.811
125 HD13 ILE 40 HD13 ILE 40 7.755 0.337 5.347
126 H VAL 41 HN VAL 41 4.469 0.584 1.656
127 HA VAL 41 HA VAL 41 2.094 2.077 2.251
128 HB VAL 41 HB VAL 41 4.225 3.008 1.208
129 HG11 VAL 41 HG11 VAL 41 2.987 1.864 -1.285
130 HG12 VAL 41 HG12 VAL 41 4.467 1.296 -0.517
131 HG13 VAL 41 HG13 VAL 41 4.399 2.918 -1.207
132 HG21 VAL 41 HG21 VAL 41 2.987 4.659 -0.122
133 HG22 VAL 41 HG22 VAL 41 2.176 4.308 1.406
134 HG23 VAL 41 HG23 VAL 41 1.570 3.609 -0.096
135 H LEU 42 HN LEU 42 2.914 -0.572 0.168
136 HA LEU 42 HA LEU 42 0.577 -0.287 -1.505
137 HB2 LEU 42 HB2 LEU 42 2.852 -1.287 -2.163
138 HB3 LEU 42 HB1 LEU 42 2.320 -2.728 -1.306
139 HG LEU 42 HG LEU 42 0.662 -1.544 -3.517
140 HD11 LEU 42 HD11 LEU 42 2.895 -3.548 -3.810
141 HD12 LEU 42 HD12 LEU 42 2.896 -1.897 -4.429
142 HD13 LEU 42 HD13 LEU 42 1.754 -3.078 -5.070
143 HD21 LEU 42 HD21 LEU 42 -0.416 -3.202 -2.107
144 HD22 LEU 42 HD22 LEU 42 0.922 -4.321 -2.366
145 HD23 LEU 42 HD23 LEU 42 -0.121 -3.865 -3.714
146 H LEU 43 HN LEU 43 1.669 -2.493 1.052
147 HA LEU 43 HA LEU 43 -0.480 -4.243 1.088
148 HB2 LEU 43 HB2 LEU 43 1.790 -4.028 2.505
149 HB3 LEU 43 HB1 LEU 43 0.663 -3.423 3.701
150 HG LEU 43 HG LEU 43 1.072 -5.793 4.033
151 HD11 LEU 43 HD11 LEU 43 -1.219 -6.599 4.050
152 HD12 LEU 43 HD12 LEU 43 -1.698 -5.302 2.956
153 HD13 LEU 43 HD13 LEU 43 -1.141 -4.920 4.585
154 HD21 LEU 43 HD21 LEU 43 -0.039 -6.179 1.258
155 HD22 LEU 43 HD22 LEU 43 0.432 -7.453 2.383
156 HD23 LEU 43 HD23 LEU 43 1.652 -6.364 1.722
157 H LEU 44 HN LEU 44 -0.175 -1.030 2.481
158 HA LEU 44 HA LEU 44 -2.660 -1.202 3.924
159 HB2 LEU 44 HB2 LEU 44 -0.767 1.066 3.355
160 HB3 LEU 44 HB1 LEU 44 -2.273 1.291 4.225
161 HG LEU 44 HG LEU 44 -0.016 -0.513 5.104
162 HD11 LEU 44 HD11 LEU 44 -0.888 2.192 6.108
163 HD12 LEU 44 HD12 LEU 44 0.609 1.829 5.249
164 HD13 LEU 44 HD13 LEU 44 0.332 1.164 6.860
165 HD21 LEU 44 HD21 LEU 44 -1.266 -0.678 7.195
166 HD22 LEU 44 HD22 LEU 44 -2.212 -1.297 5.840
167 HD23 LEU 44 HD23 LEU 44 -2.561 0.299 6.506
168 H THR 45 HN THR 45 -1.545 0.535 1.020
169 HA THR 45 HA THR 45 -3.905 1.890 0.445
170 HB THR 45 HB THR 45 -3.107 1.783 -1.981
171 HG1 THR 45 HG1 THR 45 -0.612 1.139 -1.550
172 HG21 THR 45 HG21 THR 45 -2.621 3.676 -0.538
173 HG22 THR 45 HG22 THR 45 -1.215 3.302 -1.533
174 HG23 THR 45 HG23 THR 45 -1.249 2.818 0.163
175 H THR 46 HN THR 46 -3.190 -1.474 0.096
176 HA THR 46 HA THR 46 -5.106 -2.064 -1.920
177 HB THR 46 HB THR 46 -3.967 -3.909 0.188
178 HG1 THR 46 HG1 THR 46 -2.342 -4.260 -1.221
179 HG21 THR 46 HG21 THR 46 -6.025 -4.763 -0.883
180 HG22 THR 46 HG22 THR 46 -4.603 -5.710 -1.321
181 HG23 THR 46 HG23 THR 46 -5.271 -4.546 -2.463
182 H LEU 47 HN LEU 47 -5.192 -2.709 1.594
183 HA LEU 47 HA LEU 47 -7.993 -3.306 1.531
184 HB2 LEU 47 HB2 LEU 47 -6.089 -2.880 3.830
185 HB3 LEU 47 HB1 LEU 47 -7.758 -3.381 4.019
186 HG LEU 47 HG LEU 47 -5.657 -4.950 2.521
187 HD11 LEU 47 HD11 LEU 47 -5.149 -4.875 4.894
188 HD12 LEU 47 HD12 LEU 47 -5.728 -6.476 4.436
189 HD13 LEU 47 HD13 LEU 47 -6.800 -5.358 5.280
190 HD21 LEU 47 HD21 LEU 47 -7.320 -6.756 2.605
191 HD22 LEU 47 HD22 LEU 47 -7.904 -5.363 1.694
192 HD23 LEU 47 HD23 LEU 47 -8.476 -5.644 3.339
193 H PHE 48 HN PHE 48 -6.150 -0.428 1.892
194 HA PHE 48 HA PHE 48 -8.162 1.027 3.349
195 HB2 PHE 48 HB2 PHE 48 -5.850 1.672 3.637
196 HB3 PHE 48 HB1 PHE 48 -5.668 1.947 1.908
197 HD1 PHE 48 HD1 PHE 48 -6.132 4.039 0.978
198 HD2 PHE 48 HD2 PHE 48 -7.456 3.149 4.924
199 HE1 PHE 48 HE1 PHE 48 -6.775 6.394 1.288
200 HE2 PHE 48 HE2 PHE 48 -8.102 5.503 5.240
201 HZ PHE 48 HZ PHE 48 -7.767 7.127 3.415
202 H CYS 49 HN CYS 49 -7.170 0.712 -0.024
203 HA CYS 49 HA CYS 49 -8.848 2.792 -0.999
204 HB2 CYS 49 HB2 CYS 49 -6.911 2.012 -2.274
205 HB3 CYS 49 HB1 CYS 49 -7.646 0.423 -2.447
206 HG CYS 49 HG CYS 49 -7.697 2.492 -4.698
207 H LEU 50 HN LEU 50 -9.251 -0.675 -0.543
208 HA LEU 50 HA LEU 50 -11.658 -1.000 -1.950
209 HB2 LEU 50 HB2 LEU 50 -10.663 -2.474 0.494
210 HB3 LEU 50 HB1 LEU 50 -11.980 -3.009 -0.546
211 HG LEU 50 HG LEU 50 -9.188 -2.585 -1.593
212 HD11 LEU 50 HD11 LEU 50 -10.343 -5.200 -0.649
213 HD12 LEU 50 HD12 LEU 50 -9.215 -4.227 0.293
214 HD13 LEU 50 HD13 LEU 50 -8.716 -4.896 -1.260
215 HD21 LEU 50 HD21 LEU 50 -11.540 -4.192 -2.581
216 HD22 LEU 50 HD22 LEU 50 -9.954 -4.108 -3.349
217 HD23 LEU 50 HD23 LEU 50 -10.964 -2.666 -3.252
218 H LEU 51 HN LEU 51 -10.971 0.061 1.323
219 HA LEU 51 HA LEU 51 -13.742 0.153 2.109
220 HB2 LEU 51 HB2 LEU 51 -11.231 1.208 3.406
221 HB3 LEU 51 HB1 LEU 51 -12.822 1.287 4.139
222 HG LEU 51 HG LEU 51 -11.483 -1.302 3.361
223 HD11 LEU 51 HD11 LEU 51 -10.131 -0.195 5.042
224 HD12 LEU 51 HD12 LEU 51 -10.988 -1.565 5.750
225 HD13 LEU 51 HD13 LEU 51 -11.560 0.077 6.040
226 HD21 LEU 51 HD21 LEU 51 -13.913 -1.409 3.528
227 HD22 LEU 51 HD22 LEU 51 -13.845 -0.688 5.136
228 HD23 LEU 51 HD23 LEU 51 -13.152 -2.286 4.856
229 H HIS 52 HN HIS 52 -11.322 2.387 0.913
230 HA HIS 52 HA HIS 52 -12.805 4.761 1.454
231 HB2 HIS 52 HB2 HIS 52 -10.345 4.733 1.196
232 HB3 HIS 52 HB1 HIS 52 -10.543 4.326 -0.506
233 HD1 HIS 52 HD1 HIS 52 -11.293 6.211 -2.096
234 HD2 HIS 52 HD2 HIS 52 -10.871 7.408 1.860
235 HE1 HIS 52 HE1 HIS 52 -11.358 8.724 -2.145
236 HE2 HIS 52 HE2 HIS 52 -11.030 9.428 0.252
237 H PHE 53 HN PHE 53 -12.796 2.447 -1.133
238 HA PHE 53 HA PHE 53 -14.436 4.246 -2.778
239 HB2 PHE 53 HB2 PHE 53 -12.375 3.155 -3.774
240 HB3 PHE 53 HB1 PHE 53 -13.228 1.619 -3.645
241 HD1 PHE 53 HD1 PHE 53 -14.865 0.992 -5.218
242 HD2 PHE 53 HD2 PHE 53 -13.290 4.945 -5.246
243 HE1 PHE 53 HE1 PHE 53 -15.942 1.401 -7.392
244 HE2 PHE 53 HE2 PHE 53 -14.365 5.362 -7.420
245 HZ PHE 53 HZ PHE 53 -15.688 3.599 -8.496
246 H GLY 54 HN GLY 54 -14.527 1.398 -0.857
247 HA2 GLY 54 HA2 GLY 54 -16.305 0.116 -0.165
248 HA3 GLY 54 HA1 GLY 54 -17.365 1.260 -0.973
249 H VAL 55 HN VAL 55 -14.848 -0.307 -2.767
250 HA VAL 55 HA VAL 55 -16.459 -1.260 -4.790
251 HB VAL 55 HB VAL 55 -14.365 -3.138 -4.599
252 HG11 VAL 55 HG11 VAL 55 -13.470 -1.910 -6.526
253 HG12 VAL 55 HG12 VAL 55 -14.589 -0.591 -6.192
254 HG13 VAL 55 HG13 VAL 55 -15.208 -2.175 -6.654
255 HG21 VAL 55 HG21 VAL 55 -13.425 -0.356 -3.904
256 HG22 VAL 55 HG22 VAL 55 -12.392 -1.721 -4.327
257 HG23 VAL 55 HG23 VAL 55 -13.353 -1.770 -2.851
258 H ILE 56 HN ILE 56 -14.874 -3.455 -2.508
259 HA ILE 56 HA ILE 56 -17.359 -4.964 -2.232
260 HB ILE 56 HB ILE 56 -16.059 -7.098 -2.517
261 HG12 ILE 56 HG12 ILE 56 -14.048 -5.360 -3.951
262 HG13 ILE 56 HG11 ILE 56 -13.815 -5.892 -2.289
263 HG21 ILE 56 HG21 ILE 56 -17.579 -6.295 -4.227
264 HG22 ILE 56 HG22 ILE 56 -16.163 -7.042 -4.967
265 HG23 ILE 56 HG23 ILE 56 -16.305 -5.285 -4.912
266 HD11 ILE 56 HD11 ILE 56 -12.629 -7.292 -3.909
267 HD12 ILE 56 HD12 ILE 56 -14.169 -7.714 -4.657
268 HD13 ILE 56 HD13 ILE 56 -13.832 -8.200 -2.995
269 H GLY 57 HN GLY 57 -14.966 -6.899 -1.129
270 HA2 GLY 57 HA2 GLY 57 -13.713 -6.135 1.037
271 HA3 GLY 57 HA1 GLY 57 -15.367 -5.969 1.613
272 HA PRO 58 HA PRO 58 -15.527 -10.315 2.414
273 HB2 PRO 58 HB2 PRO 58 -17.881 -11.197 1.481
274 HB3 PRO 58 HB1 PRO 58 -17.795 -10.013 2.791
275 HG2 PRO 58 HG2 PRO 58 -18.332 -9.580 -0.120
276 HG3 PRO 58 HG1 PRO 58 -19.130 -8.852 1.286
277 HD2 PRO 58 HD2 PRO 58 -17.167 -7.611 -0.177
278 HD3 PRO 58 HD1 PRO 58 -17.509 -7.256 1.525
279 H GLN 59 HN GLN 59 -16.887 -12.362 0.906
280 HA GLN 59 HA GLN 59 -14.984 -12.657 -1.322
281 HB2 GLN 59 HB2 GLN 59 -16.388 -14.866 0.185
282 HB3 GLN 59 HB1 GLN 59 -15.096 -15.043 -0.993
283 HG2 GLN 59 HG2 GLN 59 -14.875 -13.768 1.724
284 HG3 GLN 59 HG1 GLN 59 -14.250 -15.345 1.246
285 HE21 GLN 59 HE21 GLN 59 -12.839 -13.041 2.320
286 HE22 GLN 59 HE22 GLN 59 -11.631 -12.627 1.156
287 H ARG 60 HN ARG 60 -17.606 -11.340 -1.404
288 HA ARG 60 HA ARG 60 -18.794 -12.976 -3.532
289 HB2 ARG 60 HB2 ARG 60 -20.314 -11.548 -1.344
290 HB3 ARG 60 HB1 ARG 60 -21.055 -12.269 -2.767
291 HG2 ARG 60 HG2 ARG 60 -20.287 -14.467 -2.082
292 HG3 ARG 60 HG1 ARG 60 -19.475 -13.762 -0.682
293 HD2 ARG 60 HD2 ARG 60 -21.630 -14.753 -0.075
294 HD3 ARG 60 HD1 ARG 60 -21.610 -13.012 0.203
295 HE ARG 60 HE ARG 60 -22.672 -13.197 -2.263
296 HH11 ARG 60 HH11 ARG 60 -23.411 -14.804 0.740
297 HH12 ARG 60 HH12 ARG 60 -25.096 -14.984 0.376
298 HH21 ARG 60 HH21 ARG 60 -24.887 -13.434 -2.749
299 HH22 ARG 60 HH22 ARG 60 -25.934 -14.207 -1.607