Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
571577 | 2mdu RC | 19503 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 -2.030 4.142 11.710
2 H2 ARG 1 H2 ARG 1 -3.375 5.161 11.398
3 H3 ARG 1 H3 ARG 1 -2.037 5.754 12.294
4 HA ARG 1 HA ARG 1 -1.910 6.632 10.148
5 HB2 ARG 1 HB2 ARG 1 0.037 4.944 11.356
6 HB3 ARG 1 HB3 ARG 1 0.107 4.624 9.632
7 HG2 ARG 1 HG2 ARG 1 0.366 7.114 9.296
8 HG3 ARG 1 HG3 ARG 1 0.587 7.240 11.046
9 HD2 ARG 1 HD2 ARG 1 2.220 5.297 9.471
10 HD3 ARG 1 HD3 ARG 1 2.645 7.008 9.462
11 HE ARG 1 HE ARG 1 2.268 5.877 12.091
12 HH11 ARG 1 HH11 ARG 1 4.568 6.519 9.529
13 HH12 ARG 1 HH12 ARG 1 5.940 6.471 10.583
14 HH21 ARG 1 HH21 ARG 1 4.079 5.813 13.472
15 HH22 ARG 1 HH22 ARG 1 5.663 6.069 12.821
16 H TRP 2 H TRP 2 -1.660 6.304 7.851
17 HA TRP 2 HA TRP 2 -3.492 4.295 6.839
18 HB2 TRP 2 HB2 TRP 2 -2.039 6.580 5.506
19 HB3 TRP 2 HB3 TRP 2 -3.119 5.523 4.683
20 HD1 TRP 2 HD1 TRP 2 -3.053 8.371 7.067
21 HE1 TRP 2 HE1 TRP 2 -5.429 9.345 7.336
22 HE3 TRP 2 HE3 TRP 2 -5.584 4.828 4.514
23 HZ2 TRP 2 HZ2 TRP 2 -8.060 8.658 6.521
24 HZ3 TRP 2 HZ3 TRP 2 -8.026 5.031 4.270
25 HH2 TRP 2 HH2 TRP 2 -9.240 6.909 5.257
26 H PHE 3 H PHE 3 -2.973 2.825 5.141
27 HA PHE 3 HA PHE 3 -0.128 2.472 4.612
28 HB2 PHE 3 HB2 PHE 3 -0.232 0.042 4.846
29 HB3 PHE 3 HB3 PHE 3 -0.535 0.876 6.328
30 HD1 PHE 3 HD1 PHE 3 -3.097 1.035 6.995
31 HD2 PHE 3 HD2 PHE 3 -1.475 -1.641 4.108
32 HE1 PHE 3 HE1 PHE 3 -5.036 -0.452 7.270
33 HE2 PHE 3 HE2 PHE 3 -3.398 -3.128 4.373
34 HZ PHE 3 HZ PHE 3 -5.199 -2.531 5.957
35 H TYR 4 H TYR 4 -0.028 0.465 2.876
36 HA TYR 4 HA TYR 4 -1.891 1.222 0.771
37 HB2 TYR 4 HB2 TYR 4 1.045 0.739 0.376
38 HB3 TYR 4 HB3 TYR 4 -0.088 1.572 -0.628
39 HD1 TYR 4 HD1 TYR 4 1.629 1.797 2.634
40 HD2 TYR 4 HD2 TYR 4 -0.335 3.910 -0.490
41 HE1 TYR 4 HE1 TYR 4 2.263 3.865 3.681
42 HE2 TYR 4 HE2 TYR 4 0.305 6.037 0.566
43 HH TYR 4 HH TYR 4 2.549 6.556 2.462
44 H PHE 5 H PHE 5 -2.703 -0.405 -0.338
45 HA PHE 5 HA PHE 5 -1.445 -3.047 -0.068
46 HB2 PHE 5 HB2 PHE 5 -3.615 -2.894 1.076
47 HB3 PHE 5 HB3 PHE 5 -4.386 -2.438 -0.417
48 HD1 PHE 5 HD2 PHE 5 -1.981 -5.140 0.569
49 HD2 PHE 5 HD1 PHE 5 -5.632 -4.093 -1.349
50 HE1 PHE 5 HE2 PHE 5 -2.342 -7.485 -0.034
51 HE2 PHE 5 HE1 PHE 5 -5.984 -6.430 -1.970
52 HZ PHE 5 HZ PHE 5 -4.338 -8.115 -1.321
53 H ASN 6 H ASN 6 -0.818 -3.994 -1.908
54 HA ASN 6 HA ASN 6 -1.775 -2.801 -4.414
55 HB2 ASN 6 HB2 ASN 6 0.699 -2.862 -4.064
56 HB3 ASN 6 HB3 ASN 6 0.630 -4.589 -3.858
57 HD21 ASN 6 HD21 ASN 6 -0.709 -2.212 -6.170
58 HD22 ASN 6 HD22 ASN 6 -0.227 -3.049 -7.597
59 H ARG 7 H ARG 7 -3.457 -3.790 -5.185
60 HA ARG 7 HA ARG 7 -4.269 -6.401 -4.494
61 HB2 ARG 7 HB2 ARG 7 -6.182 -5.958 -5.722
62 HB3 ARG 7 HB3 ARG 7 -5.623 -4.365 -5.231
63 HG2 ARG 7 HG2 ARG 7 -4.854 -3.827 -7.310
64 HG3 ARG 7 HG3 ARG 7 -4.810 -5.494 -7.850
65 HD2 ARG 7 HD2 ARG 7 -7.296 -5.571 -7.767
66 HD3 ARG 7 HD3 ARG 7 -7.302 -3.851 -7.318
67 HE ARG 7 HE ARG 7 -5.832 -4.333 -9.775
68 HH11 ARG 7 HH11 ARG 7 -9.064 -3.914 -8.446
69 HH12 ARG 7 HH12 ARG 7 -9.732 -3.345 -9.938
70 HH21 ARG 7 HH21 ARG 7 -6.731 -3.583 -11.724
71 HH22 ARG 7 HH22 ARG 7 -8.408 -3.157 -11.799
72 H ILE 8 H ILE 8 -2.259 -5.198 -7.026
73 HA ILE 8 HA ILE 8 -2.665 -7.338 -8.879
74 HB ILE 8 HB ILE 8 -0.404 -5.333 -8.629
75 HG12 ILE 8 HG12 ILE 8 -2.947 -4.743 -9.401
76 HG13 ILE 8 HG13 ILE 8 -1.523 -3.898 -9.972
77 HG21 ILE 8 HG21 ILE 8 0.273 -5.966 -10.894
78 HG22 ILE 8 HG22 ILE 8 -0.922 -7.261 -10.885
79 HG23 ILE 8 HG23 ILE 8 0.430 -7.300 -9.753
80 HD11 ILE 8 HD11 ILE 8 -1.889 -6.095 -11.698
81 HD12 ILE 8 HD12 ILE 8 -2.107 -4.381 -12.036
82 HD13 ILE 8 HD13 ILE 8 -3.466 -5.342 -11.460
83 H THR 9 H THR 9 -0.067 -6.624 -6.539
84 HA THR 9 HA THR 9 0.977 -9.321 -6.933
85 HB THR 9 HB THR 9 2.976 -8.584 -5.858
86 HG1 THR 9 HG1 THR 9 3.092 -6.430 -5.024
87 HG21 THR 9 HG21 THR 9 3.736 -6.924 -7.322
88 HG22 THR 9 HG22 THR 9 2.116 -6.240 -7.499
89 HG23 THR 9 HG23 THR 9 2.493 -7.810 -8.209
90 H GLY 10 H GLY 10 -0.788 -7.479 -4.753
91 HA2 GLY 10 HA2 GLY 10 -2.056 -8.178 -2.942
92 HA3 GLY 10 HA3 GLY 10 -1.217 -9.695 -3.012
93 H LYS 11 H LYS 11 0.891 -6.993 -2.976
94 HA LYS 11 HA LYS 11 1.674 -7.599 -0.257
95 HB2 LYS 11 HB2 LYS 11 2.971 -6.127 -2.541
96 HB3 LYS 11 HB3 LYS 11 3.695 -6.261 -0.952
97 HG2 LYS 11 HG2 LYS 11 2.893 -8.680 -2.517
98 HG3 LYS 11 HG3 LYS 11 4.427 -7.869 -2.814
99 HD2 LYS 11 HD2 LYS 11 3.489 -9.109 -0.239
100 HD3 LYS 11 HD3 LYS 11 4.780 -9.691 -1.285
101 HE2 LYS 11 HE2 LYS 11 6.161 -8.551 0.053
102 HE3 LYS 11 HE3 LYS 11 5.557 -7.112 -0.764
103 HZ1 LYS 11 HZ1 LYS 11 5.202 -6.568 1.411
104 HZ2 LYS 11 HZ2 LYS 11 4.894 -8.158 1.894
105 HZ3 LYS 11 HZ3 LYS 11 3.711 -7.286 1.057
106 H ARG 12 H ARG 12 2.134 -5.838 1.230
107 HA ARG 12 HA ARG 12 1.235 -3.236 0.775
108 HB2 ARG 12 HB2 ARG 12 -0.561 -3.329 2.390
109 HB3 ARG 12 HB3 ARG 12 -0.858 -4.341 1.019
110 HG2 ARG 12 HG2 ARG 12 -0.139 -5.166 3.810
111 HG3 ARG 12 HG3 ARG 12 -1.652 -5.424 2.971
112 HD2 ARG 12 HD2 ARG 12 -0.871 -7.459 2.525
113 HD3 ARG 12 HD3 ARG 12 0.097 -6.661 1.293
114 HE ARG 12 HE ARG 12 1.472 -6.596 3.752
115 HH11 ARG 12 HH11 ARG 12 0.534 -8.853 1.244
116 HH12 ARG 12 HH12 ARG 12 1.858 -9.926 1.547
117 HH21 ARG 12 HH21 ARG 12 3.210 -8.013 4.145
118 HH22 ARG 12 HH22 ARG 12 3.377 -9.451 3.195
119 H GLN 13 H GLN 13 1.889 -1.816 2.488
120 HA GLN 13 HA GLN 13 2.874 -2.888 4.967
121 HB2 GLN 13 HB2 GLN 13 4.909 -1.147 4.187
122 HB3 GLN 13 HB3 GLN 13 5.019 -2.835 4.594
123 HG2 GLN 13 HG2 GLN 13 5.945 -2.951 2.626
124 HG3 GLN 13 HG3 GLN 13 4.298 -3.047 2.068
125 HE21 GLN 13 HE21 GLN 13 3.398 -0.491 2.042
126 HE22 GLN 13 HE22 GLN 13 4.404 0.500 1.056
127 H PHE 14 H PHE 14 4.142 -0.991 6.040
128 HA PHE 14 HA PHE 14 2.158 1.139 6.290
129 HB2 PHE 14 HB2 PHE 14 3.749 -0.158 8.217
130 HB3 PHE 14 HB3 PHE 14 4.431 1.448 8.049
131 HD1 PHE 14 HD1 PHE 14 1.060 -0.122 8.220
132 HD2 PHE 14 HD2 PHE 14 3.604 3.012 9.556
133 HE1 PHE 14 HE1 PHE 14 -0.728 0.703 9.674
134 HE2 PHE 14 HE2 PHE 14 1.821 3.835 11.017
135 HZ PHE 14 HZ PHE 14 -0.343 2.680 11.074
136 H GLU 15 H GLU 15 4.991 0.524 4.641
137 HA GLU 15 HA GLU 15 5.931 3.261 4.567
138 HB2 GLU 15 HB2 GLU 15 7.033 0.758 4.253
139 HB3 GLU 15 HB3 GLU 15 7.033 1.415 2.674
140 HG2 GLU 15 HG2 GLU 15 7.928 3.357 4.547
141 HG3 GLU 15 HG3 GLU 15 8.823 1.858 4.762
142 H ARG 16 H ARG 16 6.669 3.712 2.311
143 HA ARG 16 HA ARG 16 4.597 4.520 0.657
144 HB2 ARG 16 HB2 ARG 16 6.778 5.474 0.460
145 HB3 ARG 16 HB3 ARG 16 7.529 3.908 0.253
146 HG2 ARG 16 HG2 ARG 16 6.124 3.769 -1.875
147 HG3 ARG 16 HG3 ARG 16 6.010 5.523 -1.732
148 HD2 ARG 16 HD2 ARG 16 8.645 4.086 -1.603
149 HD3 ARG 16 HD3 ARG 16 7.922 4.539 -3.142
150 HE ARG 16 HE ARG 16 8.220 6.808 -2.597
151 HH11 ARG 16 HH11 ARG 16 9.500 4.690 -0.110
152 HH12 ARG 16 HH12 ARG 16 10.474 5.927 0.607
153 HH21 ARG 16 HH21 ARG 16 9.508 8.425 -1.642
154 HH22 ARG 16 HH22 ARG 16 10.479 8.043 -0.259
155 HA PRO 17 HA PRO 17 2.949 0.947 -1.346
156 HB2 PRO 17 HB2 PRO 17 3.757 1.611 -4.013
157 HB3 PRO 17 HB3 PRO 17 2.160 1.784 -3.291
158 HG2 PRO 17 HG2 PRO 17 4.271 3.804 -3.663
159 HG3 PRO 17 HG3 PRO 17 2.526 4.020 -3.500
160 HD2 PRO 17 HD2 PRO 17 4.235 4.698 -1.542
161 HD3 PRO 17 HD3 PRO 17 2.652 4.024 -1.210
162 H LYS 18 H LYS 18 3.784 -1.043 -1.583
163 HA LYS 18 HA LYS 18 6.611 -1.429 -1.543
164 HB2 LYS 18 HB2 LYS 18 4.461 -3.094 -0.907
165 HB3 LYS 18 HB3 LYS 18 5.108 -3.820 -2.364
166 HG2 LYS 18 HG2 LYS 18 6.323 -3.541 0.329
167 HG3 LYS 18 HG3 LYS 18 6.276 -4.930 -0.756
168 HD2 LYS 18 HD2 LYS 18 7.817 -3.508 -2.271
169 HD3 LYS 18 HD3 LYS 18 8.099 -2.549 -0.817
170 HE2 LYS 18 HE2 LYS 18 9.827 -4.113 -0.792
171 HE3 LYS 18 HE3 LYS 18 8.633 -4.791 0.314
172 HZ1 LYS 18 HZ1 LYS 18 7.875 -6.260 -1.425
173 HZ2 LYS 18 HZ2 LYS 18 9.542 -6.451 -1.215
174 HZ3 LYS 18 HZ3 LYS 18 8.953 -5.573 -2.535
175 H GLY 19 H GLY 19 6.453 0.070 -3.504
176 HA2 GLY 19 HA2 GLY 19 7.830 -0.678 -5.590
177 HA3 GLY 19 HA3 GLY 19 6.263 -1.318 -6.043
178 H LEU 20 H LEU 20 5.461 1.547 -4.377
179 HA LEU 20 HA LEU 20 4.645 3.516 -5.223
180 HB2 LEU 20 HB2 LEU 20 7.425 3.297 -5.754
181 HB3 LEU 20 HB3 LEU 20 6.714 4.152 -7.099
182 HG LEU 20 HG LEU 20 6.407 5.038 -4.216
183 HD11 LEU 20 HD11 LEU 20 8.762 5.007 -4.821
184 HD12 LEU 20 HD12 LEU 20 8.160 6.659 -4.683
185 HD13 LEU 20 HD13 LEU 20 8.411 5.942 -6.274
186 HD21 LEU 20 HD21 LEU 20 6.279 7.206 -5.958
187 HD22 LEU 20 HD22 LEU 20 4.921 6.456 -5.125
188 HD23 LEU 20 HD23 LEU 20 5.340 5.952 -6.765
189 H VAL 21 H VAL 21 3.424 1.594 -6.383
190 HA VAL 21 HA VAL 21 3.131 2.320 -9.147
191 HB VAL 21 HB VAL 21 2.290 -0.414 -8.589
192 HG11 VAL 21 HG11 VAL 21 4.088 -0.175 -10.774
193 HG12 VAL 21 HG12 VAL 21 2.991 1.203 -10.845
194 HG13 VAL 21 HG13 VAL 21 2.345 -0.438 -10.822
195 HG21 VAL 21 HG21 VAL 21 5.143 -0.001 -9.077
196 HG22 VAL 21 HG22 VAL 21 4.293 -1.337 -8.306
197 HG23 VAL 21 HG23 VAL 21 4.536 0.176 -7.445
198 H LYS 22 H LYS 22 1.182 0.974 -9.937
199 HA LYS 22 HA LYS 22 -1.168 2.246 -8.794
200 HB2 LYS 22 HB2 LYS 22 -0.753 0.736 -11.392
201 HB3 LYS 22 HB3 LYS 22 -2.296 1.404 -10.877
202 HG2 LYS 22 HG2 LYS 22 -1.612 3.104 -12.203
203 HG3 LYS 22 HG3 LYS 22 -0.843 3.620 -10.702
204 HD2 LYS 22 HD2 LYS 22 1.124 3.581 -11.738
205 HD3 LYS 22 HD3 LYS 22 0.949 1.839 -11.951
206 HE2 LYS 22 HE2 LYS 22 1.165 2.434 -14.134
207 HE3 LYS 22 HE3 LYS 22 -0.579 2.631 -13.976
208 HZ1 LYS 22 HZ1 LYS 22 1.446 4.795 -13.760
209 HZ2 LYS 22 HZ2 LYS 22 -0.222 4.998 -13.564
210 HZ3 LYS 22 HZ3 LYS 22 0.402 4.535 -15.066
211 H GLY 23 H GLY 23 -3.190 0.770 -8.741
212 HA2 GLY 23 HA2 GLY 23 -4.116 -1.466 -8.233
213 HA3 GLY 23 HA3 GLY 23 -2.468 -2.039 -8.063
214 H TRP 24 H TRP 24 -1.528 0.090 -6.477
215 HA TRP 24 HA TRP 24 -1.883 -0.795 -3.916
216 HB2 TRP 24 HB2 TRP 24 -0.838 1.751 -5.149
217 HB3 TRP 24 HB3 TRP 24 -0.716 1.422 -3.440
218 HD1 TRP 24 HD1 TRP 24 1.074 0.788 -6.613
219 HE1 TRP 24 HE1 TRP 24 2.978 -0.838 -6.223
220 HE3 TRP 24 HE3 TRP 24 -0.197 -0.829 -1.962
221 HZ2 TRP 24 HZ2 TRP 24 3.812 -2.674 -4.282
222 HZ3 TRP 24 HZ3 TRP 24 1.166 -2.634 -0.976
223 HH2 TRP 24 HH2 TRP 24 3.143 -3.471 -2.067
224 H GLU 25 H GLU 25 -3.188 -0.182 -2.204
225 HA GLU 25 HA GLU 25 -5.096 2.013 -2.718
226 HB2 GLU 25 HB2 GLU 25 -5.969 -0.510 -2.815
227 HB3 GLU 25 HB3 GLU 25 -6.014 -0.291 -1.069
228 HG2 GLU 25 HG2 GLU 25 -7.212 1.992 -1.955
229 HG3 GLU 25 HG3 GLU 25 -7.750 0.803 -3.137
230 H LYS 26 H LYS 26 -5.086 3.515 -1.210
231 HA LYS 26 HA LYS 26 -3.603 3.009 1.227
232 HB2 LYS 26 HB2 LYS 26 -3.196 5.236 0.104
233 HB3 LYS 26 HB3 LYS 26 -4.919 5.543 0.092
234 HG2 LYS 26 HG2 LYS 26 -4.989 6.015 2.403
235 HG3 LYS 26 HG3 LYS 26 -3.368 5.378 2.681
236 HD2 LYS 26 HD2 LYS 26 -4.032 7.794 0.992
237 HD3 LYS 26 HD3 LYS 26 -3.417 7.826 2.652
238 HE2 LYS 26 HE2 LYS 26 -1.385 6.577 1.892
239 HE3 LYS 26 HE3 LYS 26 -1.987 6.719 0.234
240 HZ1 LYS 26 HZ1 LYS 26 -1.885 9.125 0.436
241 HZ2 LYS 26 HZ2 LYS 26 -0.371 8.436 0.738
242 HZ3 LYS 26 HZ3 LYS 26 -1.317 8.992 2.025
243 H ARG 27 H ARG 27 -4.579 2.161 2.923
244 HA ARG 27 HA ARG 27 -7.385 2.906 3.434
245 HB2 ARG 27 HB2 ARG 27 -6.641 0.446 2.625
246 HB3 ARG 27 HB3 ARG 27 -6.506 0.164 4.320
247 HG2 ARG 27 HG2 ARG 27 -9.074 1.280 3.189
248 HG3 ARG 27 HG3 ARG 27 -8.650 -0.380 2.882
249 HD2 ARG 27 HD2 ARG 27 -9.125 0.910 5.559
250 HD3 ARG 27 HD3 ARG 27 -10.053 -0.360 4.778
251 HE ARG 27 HE ARG 27 -7.385 -1.204 5.167
252 HH11 ARG 27 HH11 ARG 27 -10.361 -0.633 6.919
253 HH12 ARG 27 HH12 ARG 27 -10.016 -1.815 8.136
254 HH21 ARG 27 HH21 ARG 27 -6.937 -2.763 6.775
255 HH22 ARG 27 HH22 ARG 27 -8.073 -3.022 8.055
256 H TRP 28 H TRP 28 -8.042 2.203 5.641
257 HA TRP 28 HA TRP 28 -6.269 3.494 7.531
258 HB2 TRP 28 HB2 TRP 28 -8.811 3.871 7.359
259 HB3 TRP 28 HB3 TRP 28 -8.968 2.331 8.188
260 HD1 TRP 28 HD1 TRP 28 -9.757 3.022 10.509
261 HE1 TRP 28 HE1 TRP 28 -8.873 4.541 12.368
262 HE3 TRP 28 HE3 TRP 28 -5.916 5.225 7.970
263 HZ2 TRP 28 HZ2 TRP 28 -6.809 6.444 12.722
264 HZ3 TRP 28 HZ3 TRP 28 -4.535 6.890 9.141
265 HH2 TRP 28 HH2 TRP 28 -4.973 7.486 11.466
266 H ASP 29 H ASP 29 -5.516 2.614 9.458
267 HA ASP 29 HA ASP 29 -5.096 -0.271 9.356
268 HB2 ASP 29 HB2 ASP 29 -3.430 0.057 11.101
269 HB3 ASP 29 HB3 ASP 29 -3.136 1.183 9.790
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 -5.067 3.338 12.675
2 H2 ARG 1 H2 ARG 1 -4.026 2.496 13.749
3 H3 ARG 1 H3 ARG 1 -4.906 1.636 12.553
4 HA ARG 1 HA ARG 1 -2.803 3.652 12.043
5 HB2 ARG 1 HB2 ARG 1 -2.788 0.752 12.559
6 HB3 ARG 1 HB3 ARG 1 -2.046 1.161 11.023
7 HG2 ARG 1 HG2 ARG 1 -0.534 2.728 12.224
8 HG3 ARG 1 HG3 ARG 1 -1.232 2.167 13.749
9 HD2 ARG 1 HD2 ARG 1 -0.334 0.036 13.512
10 HD3 ARG 1 HD3 ARG 1 -0.091 0.224 11.777
11 HE ARG 1 HE ARG 1 1.683 1.064 13.888
12 HH11 ARG 1 HH11 ARG 1 0.794 1.513 10.528
13 HH12 ARG 1 HH12 ARG 1 2.341 2.144 10.078
14 HH21 ARG 1 HH21 ARG 1 3.716 1.901 13.285
15 HH22 ARG 1 HH22 ARG 1 3.999 2.365 11.641
16 H TRP 2 H TRP 2 -1.926 3.095 9.816
17 HA TRP 2 HA TRP 2 -3.880 2.556 7.794
18 HB2 TRP 2 HB2 TRP 2 -4.624 4.503 7.917
19 HB3 TRP 2 HB3 TRP 2 -3.638 4.876 9.138
20 HD1 TRP 2 HD1 TRP 2 -1.509 6.179 8.667
21 HE1 TRP 2 HE1 TRP 2 -1.238 8.185 7.040
22 HE3 TRP 2 HE3 TRP 2 -5.255 5.026 5.602
23 HZ2 TRP 2 HZ2 TRP 2 -2.626 9.147 4.703
24 HZ3 TRP 2 HZ3 TRP 2 -5.861 6.497 3.804
25 HH2 TRP 2 HH2 TRP 2 -4.554 8.516 3.294
26 H PHE 3 H PHE 3 -3.058 2.749 5.751
27 HA PHE 3 HA PHE 3 -0.305 3.144 5.082
28 HB2 PHE 3 HB2 PHE 3 0.364 0.765 4.977
29 HB3 PHE 3 HB3 PHE 3 -0.078 1.263 6.579
30 HD1 PHE 3 HD2 PHE 3 -2.546 0.737 7.307
31 HD2 PHE 3 HD1 PHE 3 -0.560 -1.013 3.996
32 HE1 PHE 3 HE2 PHE 3 -4.235 -1.045 7.259
33 HE2 PHE 3 HE1 PHE 3 -2.254 -2.813 3.918
34 HZ PHE 3 HZ PHE 3 -4.114 -2.804 5.549
35 H TYR 4 H TYR 4 0.223 1.485 3.024
36 HA TYR 4 HA TYR 4 -1.966 1.933 1.182
37 HB2 TYR 4 HB2 TYR 4 0.784 1.410 0.254
38 HB3 TYR 4 HB3 TYR 4 -0.385 2.570 -0.258
39 HD1 TYR 4 HD2 TYR 4 -0.518 3.629 2.892
40 HD2 TYR 4 HD1 TYR 4 2.433 3.145 -0.142
41 HE1 TYR 4 HE2 TYR 4 0.795 5.310 3.946
42 HE2 TYR 4 HE1 TYR 4 3.768 4.891 0.928
43 HH TYR 4 HH TYR 4 3.718 5.810 3.751
44 H PHE 5 H PHE 5 -2.678 0.330 -0.169
45 HA PHE 5 HA PHE 5 -1.545 -2.353 0.260
46 HB2 PHE 5 HB2 PHE 5 -3.733 -2.016 1.355
47 HB3 PHE 5 HB3 PHE 5 -4.447 -1.672 -0.194
48 HD1 PHE 5 HD2 PHE 5 -2.135 -4.341 1.040
49 HD2 PHE 5 HD1 PHE 5 -5.756 -3.376 -0.957
50 HE1 PHE 5 HE2 PHE 5 -2.536 -6.719 0.620
51 HE2 PHE 5 HE1 PHE 5 -6.158 -5.747 -1.392
52 HZ PHE 5 HZ PHE 5 -4.546 -7.410 -0.610
53 H ASN 6 H ASN 6 -1.021 -3.515 -1.508
54 HA ASN 6 HA ASN 6 -1.926 -2.444 -4.095
55 HB2 ASN 6 HB2 ASN 6 0.548 -2.609 -3.813
56 HB3 ASN 6 HB3 ASN 6 0.399 -4.297 -3.425
57 HD21 ASN 6 HD21 ASN 6 -0.888 -2.102 -5.934
58 HD22 ASN 6 HD22 ASN 6 -0.525 -3.118 -7.277
59 H ARG 7 H ARG 7 -3.617 -3.449 -4.856
60 HA ARG 7 HA ARG 7 -4.515 -5.969 -3.904
61 HB2 ARG 7 HB2 ARG 7 -6.454 -5.563 -5.094
62 HB3 ARG 7 HB3 ARG 7 -5.839 -3.953 -4.751
63 HG2 ARG 7 HG2 ARG 7 -5.119 -3.610 -6.894
64 HG3 ARG 7 HG3 ARG 7 -5.158 -5.316 -7.297
65 HD2 ARG 7 HD2 ARG 7 -7.649 -5.271 -7.089
66 HD3 ARG 7 HD3 ARG 7 -7.551 -3.514 -6.837
67 HE ARG 7 HE ARG 7 -6.207 -4.328 -9.272
68 HH11 ARG 7 HH11 ARG 7 -9.377 -3.662 -7.895
69 HH12 ARG 7 HH12 ARG 7 -10.082 -3.243 -9.420
70 HH21 ARG 7 HH21 ARG 7 -7.155 -3.773 -11.263
71 HH22 ARG 7 HH22 ARG 7 -8.821 -3.306 -11.331
72 H ILE 8 H ILE 8 -2.537 -5.020 -6.557
73 HA ILE 8 HA ILE 8 -3.062 -7.275 -8.241
74 HB ILE 8 HB ILE 8 -0.733 -5.333 -8.195
75 HG12 ILE 8 HG12 ILE 8 -3.275 -4.719 -8.950
76 HG13 ILE 8 HG13 ILE 8 -1.840 -3.967 -9.618
77 HG21 ILE 8 HG21 ILE 8 -1.374 -7.376 -10.315
78 HG22 ILE 8 HG22 ILE 8 -0.022 -7.437 -9.183
79 HG23 ILE 8 HG23 ILE 8 -0.101 -6.158 -10.393
80 HD11 ILE 8 HD11 ILE 8 -2.313 -6.274 -11.163
81 HD12 ILE 8 HD12 ILE 8 -2.497 -4.585 -11.625
82 HD13 ILE 8 HD13 ILE 8 -3.865 -5.463 -10.945
83 H THR 9 H THR 9 -0.383 -6.482 -6.020
84 HA THR 9 HA THR 9 0.560 -9.236 -6.243
85 HB THR 9 HB THR 9 2.617 -8.500 -5.295
86 HG1 THR 9 HG1 THR 9 2.837 -6.294 -4.620
87 HG21 THR 9 HG21 THR 9 3.386 -6.980 -6.894
88 HG22 THR 9 HG22 THR 9 1.794 -6.232 -7.055
89 HG23 THR 9 HG23 THR 9 2.070 -7.860 -7.675
90 H GLY 10 H GLY 10 -1.072 -7.175 -4.152
91 HA2 GLY 10 HA2 GLY 10 -2.277 -7.677 -2.234
92 HA3 GLY 10 HA3 GLY 10 -1.529 -9.243 -2.247
93 H LYS 11 H LYS 11 0.695 -6.621 -2.464
94 HA LYS 11 HA LYS 11 1.607 -7.131 0.241
95 HB2 LYS 11 HB2 LYS 11 2.809 -5.776 -2.165
96 HB3 LYS 11 HB3 LYS 11 3.604 -5.857 -0.603
97 HG2 LYS 11 HG2 LYS 11 2.697 -8.301 -2.071
98 HG3 LYS 11 HG3 LYS 11 4.256 -7.551 -2.383
99 HD2 LYS 11 HD2 LYS 11 3.265 -8.855 0.129
100 HD3 LYS 11 HD3 LYS 11 4.695 -9.250 -0.821
101 HE2 LYS 11 HE2 LYS 11 5.511 -6.893 -0.196
102 HE3 LYS 11 HE3 LYS 11 4.254 -6.937 1.040
103 HZ1 LYS 11 HZ1 LYS 11 5.266 -8.943 1.939
104 HZ2 LYS 11 HZ2 LYS 11 6.376 -7.667 1.921
105 HZ3 LYS 11 HZ3 LYS 11 6.475 -8.890 0.757
106 H ARG 12 H ARG 12 2.346 -5.160 1.490
107 HA ARG 12 HA ARG 12 1.137 -2.666 0.972
108 HB2 ARG 12 HB2 ARG 12 -0.629 -2.835 2.548
109 HB3 ARG 12 HB3 ARG 12 -0.748 -4.189 1.483
110 HG2 ARG 12 HG2 ARG 12 0.402 -5.521 3.264
111 HG3 ARG 12 HG3 ARG 12 0.175 -4.154 4.335
112 HD2 ARG 12 HD2 ARG 12 -1.776 -5.141 4.838
113 HD3 ARG 12 HD3 ARG 12 -2.324 -4.472 3.302
114 HE ARG 12 HE ARG 12 -1.109 -6.984 2.869
115 HH11 ARG 12 HH11 ARG 12 -4.026 -5.569 4.193
116 HH12 ARG 12 HH12 ARG 12 -5.000 -6.958 3.853
117 HH21 ARG 12 HH21 ARG 12 -2.399 -8.810 2.421
118 HH22 ARG 12 HH22 ARG 12 -4.078 -8.799 2.847
119 H GLN 13 H GLN 13 1.954 -1.050 2.377
120 HA GLN 13 HA GLN 13 2.831 -1.609 5.008
121 HB2 GLN 13 HB2 GLN 13 5.091 -0.389 4.011
122 HB3 GLN 13 HB3 GLN 13 4.956 -1.972 4.714
123 HG2 GLN 13 HG2 GLN 13 5.909 -2.568 2.845
124 HG3 GLN 13 HG3 GLN 13 4.287 -2.519 2.209
125 HE21 GLN 13 HE21 GLN 13 3.782 0.089 1.686
126 HE22 GLN 13 HE22 GLN 13 4.969 0.747 0.622
127 H PHE 14 H PHE 14 4.283 0.281 5.703
128 HA PHE 14 HA PHE 14 2.677 2.713 5.354
129 HB2 PHE 14 HB2 PHE 14 3.772 1.721 7.623
130 HB3 PHE 14 HB3 PHE 14 5.126 2.705 7.075
131 HD1 PHE 14 HD2 PHE 14 1.528 2.820 7.813
132 HD2 PHE 14 HD1 PHE 14 5.139 5.003 7.464
133 HE1 PHE 14 HE2 PHE 14 0.407 4.795 8.728
134 HE2 PHE 14 HE1 PHE 14 4.037 6.994 8.382
135 HZ PHE 14 HZ PHE 14 1.666 6.886 9.015
136 H GLU 15 H GLU 15 5.515 1.257 4.149
137 HA GLU 15 HA GLU 15 6.970 3.648 3.520
138 HB2 GLU 15 HB2 GLU 15 7.552 1.002 3.828
139 HB3 GLU 15 HB3 GLU 15 7.628 1.200 2.124
140 HG2 GLU 15 HG2 GLU 15 8.959 3.372 3.199
141 HG3 GLU 15 HG3 GLU 15 9.453 2.000 4.177
142 H ARG 16 H ARG 16 7.905 3.386 1.267
143 HA ARG 16 HA ARG 16 6.136 4.383 -0.627
144 HB2 ARG 16 HB2 ARG 16 8.498 4.693 -0.836
145 HB3 ARG 16 HB3 ARG 16 8.798 2.970 -0.783
146 HG2 ARG 16 HG2 ARG 16 7.619 2.739 -2.912
147 HG3 ARG 16 HG3 ARG 16 7.514 4.494 -3.024
148 HD2 ARG 16 HD2 ARG 16 9.418 3.470 -4.296
149 HD3 ARG 16 HD3 ARG 16 9.889 4.699 -3.126
150 HE ARG 16 HE ARG 16 10.388 1.826 -2.951
151 HH11 ARG 16 HH11 ARG 16 10.682 4.993 -1.471
152 HH12 ARG 16 HH12 ARG 16 11.891 4.484 -0.344
153 HH21 ARG 16 HH21 ARG 16 11.977 1.170 -1.458
154 HH22 ARG 16 HH22 ARG 16 12.626 2.318 -0.335
155 HA PRO 17 HA PRO 17 3.800 0.829 -1.871
156 HB2 PRO 17 HB2 PRO 17 4.524 1.382 -4.694
157 HB3 PRO 17 HB3 PRO 17 2.934 1.201 -3.957
158 HG2 PRO 17 HG2 PRO 17 3.898 3.599 -4.687
159 HG3 PRO 17 HG3 PRO 17 2.849 3.390 -3.274
160 HD2 PRO 17 HD2 PRO 17 5.778 3.874 -3.395
161 HD3 PRO 17 HD3 PRO 17 4.609 4.335 -2.181
162 H LYS 18 H LYS 18 4.342 -1.266 -2.034
163 HA LYS 18 HA LYS 18 7.059 -2.052 -2.233
164 HB2 LYS 18 HB2 LYS 18 4.802 -3.327 -1.279
165 HB3 LYS 18 HB3 LYS 18 5.095 -4.199 -2.770
166 HG2 LYS 18 HG2 LYS 18 6.712 -4.061 -0.281
167 HG3 LYS 18 HG3 LYS 18 6.250 -5.455 -1.253
168 HD2 LYS 18 HD2 LYS 18 8.104 -3.427 -2.424
169 HD3 LYS 18 HD3 LYS 18 8.726 -4.588 -1.252
170 HE2 LYS 18 HE2 LYS 18 7.933 -6.430 -2.629
171 HE3 LYS 18 HE3 LYS 18 7.248 -5.290 -3.786
172 HZ1 LYS 18 HZ1 LYS 18 9.478 -4.465 -4.235
173 HZ2 LYS 18 HZ2 LYS 18 9.381 -6.126 -4.537
174 HZ3 LYS 18 HZ3 LYS 18 10.132 -5.567 -3.129
175 H GLY 19 H GLY 19 7.101 -0.710 -4.216
176 HA2 GLY 19 HA2 GLY 19 8.135 -1.601 -6.371
177 HA3 GLY 19 HA3 GLY 19 6.512 -2.196 -6.667
178 H LEU 20 H LEU 20 6.147 0.824 -5.073
179 HA LEU 20 HA LEU 20 5.300 2.797 -5.913
180 HB2 LEU 20 HB2 LEU 20 7.966 2.345 -6.795
181 HB3 LEU 20 HB3 LEU 20 7.141 3.223 -8.055
182 HG LEU 20 HG LEU 20 7.289 4.205 -5.187
183 HD11 LEU 20 HD11 LEU 20 9.532 3.884 -6.262
184 HD12 LEU 20 HD12 LEU 20 9.148 5.534 -5.769
185 HD13 LEU 20 HD13 LEU 20 9.039 5.073 -7.468
186 HD21 LEU 20 HD21 LEU 20 5.992 5.137 -7.621
187 HD22 LEU 20 HD22 LEU 20 7.117 6.328 -6.975
188 HD23 LEU 20 HD23 LEU 20 5.815 5.712 -5.961
189 H VAL 21 H VAL 21 3.685 1.109 -6.768
190 HA VAL 21 HA VAL 21 3.259 1.529 -9.580
191 HB VAL 21 HB VAL 21 2.117 -0.963 -8.574
192 HG11 VAL 21 HG11 VAL 21 2.827 0.219 -11.094
193 HG12 VAL 21 HG12 VAL 21 1.944 -1.275 -10.784
194 HG13 VAL 21 HG13 VAL 21 3.703 -1.299 -10.898
195 HG21 VAL 21 HG21 VAL 21 4.018 -2.119 -8.351
196 HG22 VAL 21 HG22 VAL 21 4.497 -0.567 -7.683
197 HG23 VAL 21 HG23 VAL 21 4.950 -0.988 -9.321
198 H LYS 22 H LYS 22 1.097 0.387 -10.047
199 HA LYS 22 HA LYS 22 -0.982 2.070 -8.888
200 HB2 LYS 22 HB2 LYS 22 -0.821 0.460 -11.446
201 HB3 LYS 22 HB3 LYS 22 -2.336 1.130 -10.858
202 HG2 LYS 22 HG2 LYS 22 -1.865 3.045 -11.854
203 HG3 LYS 22 HG3 LYS 22 -0.436 3.221 -10.836
204 HD2 LYS 22 HD2 LYS 22 0.328 1.378 -12.765
205 HD3 LYS 22 HD3 LYS 22 -0.642 2.552 -13.654
206 HE2 LYS 22 HE2 LYS 22 1.457 3.495 -13.777
207 HE3 LYS 22 HE3 LYS 22 0.788 4.303 -12.361
208 HZ1 LYS 22 HZ1 LYS 22 1.984 2.814 -10.936
209 HZ2 LYS 22 HZ2 LYS 22 3.076 3.490 -12.036
210 HZ3 LYS 22 HZ3 LYS 22 2.534 1.903 -12.252
211 H GLY 23 H GLY 23 -3.211 0.774 -8.762
212 HA2 GLY 23 HA2 GLY 23 -4.305 -1.321 -8.035
213 HA3 GLY 23 HA3 GLY 23 -2.705 -2.014 -7.851
214 H TRP 24 H TRP 24 -1.589 0.192 -6.490
215 HA TRP 24 HA TRP 24 -1.888 -0.433 -3.846
216 HB2 TRP 24 HB2 TRP 24 -0.727 1.881 -5.394
217 HB3 TRP 24 HB3 TRP 24 -0.571 1.767 -3.661
218 HD1 TRP 24 HD1 TRP 24 1.146 0.647 -6.754
219 HE1 TRP 24 HE1 TRP 24 2.939 -1.035 -6.172
220 HE3 TRP 24 HE3 TRP 24 -0.221 -0.368 -1.950
221 HZ2 TRP 24 HZ2 TRP 24 3.683 -2.667 -4.022
222 HZ3 TRP 24 HZ3 TRP 24 1.052 -2.099 -0.753
223 HH2 TRP 24 HH2 TRP 24 2.979 -3.150 -1.728
224 H GLU 25 H GLU 25 -3.138 0.402 -2.156
225 HA GLU 25 HA GLU 25 -4.649 2.862 -2.611
226 HB2 GLU 25 HB2 GLU 25 -5.919 0.166 -2.472
227 HB3 GLU 25 HB3 GLU 25 -6.693 1.462 -1.576
228 HG2 GLU 25 HG2 GLU 25 -7.754 1.905 -3.474
229 HG3 GLU 25 HG3 GLU 25 -6.240 2.643 -3.994
230 H LYS 26 H LYS 26 -3.848 3.961 -0.942
231 HA LYS 26 HA LYS 26 -3.143 2.787 1.524
232 HB2 LYS 26 HB2 LYS 26 -2.046 4.934 0.763
233 HB3 LYS 26 HB3 LYS 26 -3.619 5.697 0.725
234 HG2 LYS 26 HG2 LYS 26 -3.698 5.991 2.987
235 HG3 LYS 26 HG3 LYS 26 -2.435 4.814 3.322
236 HD2 LYS 26 HD2 LYS 26 -1.319 6.874 3.505
237 HD3 LYS 26 HD3 LYS 26 -0.942 6.304 1.869
238 HE2 LYS 26 HE2 LYS 26 -3.100 7.692 1.203
239 HE3 LYS 26 HE3 LYS 26 -2.702 8.563 2.692
240 HZ1 LYS 26 HZ1 LYS 26 -1.671 9.585 0.771
241 HZ2 LYS 26 HZ2 LYS 26 -0.862 8.146 0.402
242 HZ3 LYS 26 HZ3 LYS 26 -0.490 8.985 1.823
243 H ARG 27 H ARG 27 -4.337 2.124 3.111
244 HA ARG 27 HA ARG 27 -7.112 3.100 3.372
245 HB2 ARG 27 HB2 ARG 27 -6.268 0.519 2.917
246 HB3 ARG 27 HB3 ARG 27 -6.538 0.455 4.624
247 HG2 ARG 27 HG2 ARG 27 -8.386 0.674 2.314
248 HG3 ARG 27 HG3 ARG 27 -8.584 -0.151 3.843
249 HD2 ARG 27 HD2 ARG 27 -9.366 1.760 4.920
250 HD3 ARG 27 HD3 ARG 27 -8.699 2.832 3.693
251 HE ARG 27 HE ARG 27 -10.912 1.021 3.019
252 HH11 ARG 27 HH11 ARG 27 -9.702 4.293 3.412
253 HH12 ARG 27 HH12 ARG 27 -11.049 5.012 2.601
254 HH21 ARG 27 HH21 ARG 27 -12.677 1.985 1.957
255 HH22 ARG 27 HH22 ARG 27 -12.737 3.707 1.778
256 H TRP 28 H TRP 28 -7.999 2.721 5.525
257 HA TRP 28 HA TRP 28 -6.125 3.538 7.629
258 HB2 TRP 28 HB2 TRP 28 -7.927 5.156 7.040
259 HB3 TRP 28 HB3 TRP 28 -9.116 3.975 7.523
260 HD1 TRP 28 HD1 TRP 28 -9.948 4.237 9.831
261 HE1 TRP 28 HE1 TRP 28 -9.150 5.281 12.032
262 HE3 TRP 28 HE3 TRP 28 -5.412 5.893 8.274
263 HZ2 TRP 28 HZ2 TRP 28 -6.850 6.635 12.989
264 HZ3 TRP 28 HZ3 TRP 28 -3.929 7.016 9.895
265 HH2 TRP 28 HH2 TRP 28 -4.656 7.410 12.197
266 H ASP 29 H ASP 29 -6.184 1.048 6.960
267 HA ASP 29 HA ASP 29 -6.220 -1.110 7.786
268 HB2 ASP 29 HB2 ASP 29 -5.402 -1.071 9.850
269 HB3 ASP 29 HB3 ASP 29 -5.835 0.627 9.963
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 -3.926 3.560 13.207
2 H2 ARG 1 H2 ARG 1 -4.045 2.207 12.156
3 H3 ARG 1 H3 ARG 1 -5.052 3.574 11.915
4 HA ARG 1 HA ARG 1 -3.011 4.896 11.576
5 HB2 ARG 1 HB2 ARG 1 -1.904 2.345 12.316
6 HB3 ARG 1 HB3 ARG 1 -1.390 2.718 10.681
7 HG2 ARG 1 HG2 ARG 1 -0.571 4.946 11.580
8 HG3 ARG 1 HG3 ARG 1 -0.861 4.287 13.196
9 HD2 ARG 1 HD2 ARG 1 0.809 2.711 12.993
10 HD3 ARG 1 HD3 ARG 1 0.752 2.724 11.231
11 HE ARG 1 HE ARG 1 1.630 5.224 12.283
12 HH11 ARG 1 HH11 ARG 1 2.698 1.971 11.545
13 HH12 ARG 1 HH12 ARG 1 4.356 2.428 11.353
14 HH21 ARG 1 HH21 ARG 1 3.818 5.819 12.029
15 HH22 ARG 1 HH22 ARG 1 4.992 4.611 11.628
16 H TRP 2 H TRP 2 -1.941 4.862 9.354
17 HA TRP 2 HA TRP 2 -3.892 3.876 7.385
18 HB2 TRP 2 HB2 TRP 2 -2.064 6.266 7.435
19 HB3 TRP 2 HB3 TRP 2 -2.788 5.725 5.964
20 HD1 TRP 2 HD1 TRP 2 -3.357 8.018 8.677
21 HE1 TRP 2 HE1 TRP 2 -5.802 8.854 8.704
22 HE3 TRP 2 HE3 TRP 2 -5.322 4.626 5.509
23 HZ2 TRP 2 HZ2 TRP 2 -8.266 8.124 7.488
24 HZ3 TRP 2 HZ3 TRP 2 -7.729 4.728 4.955
25 HH2 TRP 2 HH2 TRP 2 -9.169 6.446 5.932
26 H PHE 3 H PHE 3 -3.018 3.216 5.265
27 HA PHE 3 HA PHE 3 -0.303 2.834 4.758
28 HB2 PHE 3 HB2 PHE 3 0.051 0.510 5.020
29 HB3 PHE 3 HB3 PHE 3 -0.468 1.199 6.527
30 HD1 PHE 3 HD2 PHE 3 -3.256 1.100 6.656
31 HD2 PHE 3 HD1 PHE 3 -0.648 -1.538 4.592
32 HE1 PHE 3 HE2 PHE 3 -5.011 -0.624 6.668
33 HE2 PHE 3 HE1 PHE 3 -2.394 -3.276 4.598
34 HZ PHE 3 HZ PHE 3 -4.582 -2.817 5.634
35 H TYR 4 H TYR 4 0.114 1.365 2.912
36 HA TYR 4 HA TYR 4 -2.067 1.753 1.038
37 HB2 TYR 4 HB2 TYR 4 0.724 1.288 0.160
38 HB3 TYR 4 HB3 TYR 4 -0.466 2.421 -0.381
39 HD1 TYR 4 HD1 TYR 4 -0.769 3.479 2.726
40 HD2 TYR 4 HD2 TYR 4 2.375 3.037 -0.116
41 HE1 TYR 4 HE1 TYR 4 0.414 5.219 3.832
42 HE2 TYR 4 HE2 TYR 4 3.606 4.821 1.021
43 HH TYR 4 HH TYR 4 3.321 5.774 3.846
44 H PHE 5 H PHE 5 -2.750 0.195 -0.325
45 HA PHE 5 HA PHE 5 -1.652 -2.506 0.057
46 HB2 PHE 5 HB2 PHE 5 -3.873 -2.144 1.085
47 HB3 PHE 5 HB3 PHE 5 -4.523 -1.755 -0.481
48 HD1 PHE 5 HD1 PHE 5 -2.317 -4.499 0.792
49 HD2 PHE 5 HD2 PHE 5 -5.829 -3.402 -1.334
50 HE1 PHE 5 HE1 PHE 5 -2.755 -6.854 0.306
51 HE2 PHE 5 HE2 PHE 5 -6.270 -5.756 -1.832
52 HZ PHE 5 HZ PHE 5 -4.726 -7.473 -1.024
53 H ASN 6 H ASN 6 -1.056 -3.593 -1.733
54 HA ASN 6 HA ASN 6 -1.868 -2.434 -4.312
55 HB2 ASN 6 HB2 ASN 6 0.598 -2.620 -3.951
56 HB3 ASN 6 HB3 ASN 6 0.427 -4.322 -3.634
57 HD21 ASN 6 HD21 ASN 6 -0.786 -2.034 -6.095
58 HD22 ASN 6 HD22 ASN 6 -0.377 -2.997 -7.463
59 H ARG 7 H ARG 7 -3.586 -3.390 -5.075
60 HA ARG 7 HA ARG 7 -4.515 -5.936 -4.276
61 HB2 ARG 7 HB2 ARG 7 -6.386 -5.494 -5.570
62 HB3 ARG 7 HB3 ARG 7 -5.787 -3.902 -5.125
63 HG2 ARG 7 HG2 ARG 7 -4.959 -3.465 -7.207
64 HG3 ARG 7 HG3 ARG 7 -4.952 -5.152 -7.683
65 HD2 ARG 7 HD2 ARG 7 -7.422 -5.168 -7.706
66 HD3 ARG 7 HD3 ARG 7 -7.425 -3.451 -7.246
67 HE ARG 7 HE ARG 7 -5.885 -3.938 -9.662
68 HH11 ARG 7 HH11 ARG 7 -9.146 -3.473 -8.424
69 HH12 ARG 7 HH12 ARG 7 -9.760 -2.878 -9.928
70 HH21 ARG 7 HH21 ARG 7 -6.713 -3.152 -11.628
71 HH22 ARG 7 HH22 ARG 7 -8.380 -2.695 -11.748
72 H ILE 8 H ILE 8 -2.372 -4.954 -6.768
73 HA ILE 8 HA ILE 8 -2.826 -7.156 -8.545
74 HB ILE 8 HB ILE 8 -0.485 -5.242 -8.321
75 HG12 ILE 8 HG12 ILE 8 -2.982 -4.573 -9.178
76 HG13 ILE 8 HG13 ILE 8 -1.508 -3.813 -9.743
77 HG21 ILE 8 HG21 ILE 8 0.289 -7.282 -9.341
78 HG22 ILE 8 HG22 ILE 8 0.203 -6.000 -10.548
79 HG23 ILE 8 HG23 ILE 8 -1.042 -7.247 -10.499
80 HD11 ILE 8 HD11 ILE 8 -2.070 -4.346 -11.801
81 HD12 ILE 8 HD12 ILE 8 -3.474 -5.240 -11.224
82 HD13 ILE 8 HD13 ILE 8 -1.919 -6.054 -11.395
83 H THR 9 H THR 9 -0.259 -6.436 -6.168
84 HA THR 9 HA THR 9 0.676 -9.191 -6.402
85 HB THR 9 HB THR 9 2.684 -8.485 -5.318
86 HG1 THR 9 HG1 THR 9 2.859 -6.262 -4.628
87 HG21 THR 9 HG21 THR 9 3.551 -6.958 -6.854
88 HG22 THR 9 HG22 THR 9 1.980 -6.184 -7.086
89 HG23 THR 9 HG23 THR 9 2.266 -7.805 -7.720
90 H GLY 10 H GLY 10 -1.024 -7.150 -4.338
91 HA2 GLY 10 HA2 GLY 10 -2.366 -7.709 -2.532
92 HA3 GLY 10 HA3 GLY 10 -1.602 -9.265 -2.511
93 H LYS 11 H LYS 11 0.663 -6.704 -2.547
94 HA LYS 11 HA LYS 11 1.359 -7.203 0.220
95 HB2 LYS 11 HB2 LYS 11 2.714 -5.878 -2.110
96 HB3 LYS 11 HB3 LYS 11 3.401 -5.884 -0.496
97 HG2 LYS 11 HG2 LYS 11 2.642 -8.390 -1.951
98 HG3 LYS 11 HG3 LYS 11 4.213 -7.626 -2.152
99 HD2 LYS 11 HD2 LYS 11 3.033 -8.911 0.280
100 HD3 LYS 11 HD3 LYS 11 4.571 -9.251 -0.510
101 HE2 LYS 11 HE2 LYS 11 5.156 -6.807 0.158
102 HE3 LYS 11 HE3 LYS 11 3.835 -6.991 1.310
103 HZ1 LYS 11 HZ1 LYS 11 4.971 -8.952 2.203
104 HZ2 LYS 11 HZ2 LYS 11 5.923 -7.560 2.336
105 HZ3 LYS 11 HZ3 LYS 11 6.258 -8.701 1.133
106 H ARG 12 H ARG 12 2.056 -5.245 1.516
107 HA ARG 12 HA ARG 12 0.919 -2.735 0.957
108 HB2 ARG 12 HB2 ARG 12 -0.811 -2.897 2.662
109 HB3 ARG 12 HB3 ARG 12 -1.059 -3.987 1.342
110 HG2 ARG 12 HG2 ARG 12 -0.208 -5.808 2.736
111 HG3 ARG 12 HG3 ARG 12 -0.034 -4.691 4.074
112 HD2 ARG 12 HD2 ARG 12 -2.124 -5.224 4.633
113 HD3 ARG 12 HD3 ARG 12 -2.643 -4.336 3.201
114 HE ARG 12 HE ARG 12 -1.950 -6.941 2.437
115 HH11 ARG 12 HH11 ARG 12 -4.414 -5.272 4.282
116 HH12 ARG 12 HH12 ARG 12 -5.630 -6.462 3.966
117 HH21 ARG 12 HH21 ARG 12 -3.556 -8.504 2.021
118 HH22 ARG 12 HH22 ARG 12 -5.144 -8.298 2.682
119 H GLN 13 H GLN 13 1.663 -1.144 2.421
120 HA GLN 13 HA GLN 13 2.411 -1.709 5.079
121 HB2 GLN 13 HB2 GLN 13 4.724 -0.506 4.242
122 HB3 GLN 13 HB3 GLN 13 4.542 -2.113 4.876
123 HG2 GLN 13 HG2 GLN 13 5.611 -2.629 3.047
124 HG3 GLN 13 HG3 GLN 13 4.026 -2.572 2.325
125 HE21 GLN 13 HE21 GLN 13 3.532 0.056 1.870
126 HE22 GLN 13 HE22 GLN 13 4.765 0.750 0.884
127 H PHE 14 H PHE 14 3.801 0.171 5.871
128 HA PHE 14 HA PHE 14 2.249 2.602 5.417
129 HB2 PHE 14 HB2 PHE 14 3.008 1.654 7.750
130 HB3 PHE 14 HB3 PHE 14 4.591 2.274 7.314
131 HD1 PHE 14 HD1 PHE 14 1.184 3.674 6.886
132 HD2 PHE 14 HD2 PHE 14 5.035 4.117 8.587
133 HE1 PHE 14 HE1 PHE 14 0.544 5.893 7.722
134 HE2 PHE 14 HE2 PHE 14 4.418 6.337 9.435
135 HZ PHE 14 HZ PHE 14 2.168 7.220 8.999
136 H GLU 15 H GLU 15 5.177 1.136 4.456
137 HA GLU 15 HA GLU 15 6.688 3.511 3.935
138 HB2 GLU 15 HB2 GLU 15 7.210 0.848 4.197
139 HB3 GLU 15 HB3 GLU 15 7.374 1.090 2.505
140 HG2 GLU 15 HG2 GLU 15 8.677 3.185 3.890
141 HG3 GLU 15 HG3 GLU 15 9.184 1.645 4.568
142 H ARG 16 H ARG 16 7.733 3.296 1.733
143 HA ARG 16 HA ARG 16 6.073 4.370 -0.221
144 HB2 ARG 16 HB2 ARG 16 8.466 4.661 -0.265
145 HB3 ARG 16 HB3 ARG 16 8.736 2.931 -0.306
146 HG2 ARG 16 HG2 ARG 16 7.537 2.926 -2.496
147 HG3 ARG 16 HG3 ARG 16 7.696 4.681 -2.498
148 HD2 ARG 16 HD2 ARG 16 10.014 2.780 -2.199
149 HD3 ARG 16 HD3 ARG 16 9.491 3.435 -3.747
150 HE ARG 16 HE ARG 16 9.998 5.663 -2.833
151 HH11 ARG 16 HH11 ARG 16 11.507 2.882 -1.305
152 HH12 ARG 16 HH12 ARG 16 12.829 3.802 -0.677
153 HH21 ARG 16 HH21 ARG 16 11.744 6.852 -1.996
154 HH22 ARG 16 HH22 ARG 16 12.965 6.049 -1.066
155 HA PRO 17 HA PRO 17 3.756 0.962 -1.798
156 HB2 PRO 17 HB2 PRO 17 4.398 1.154 -4.519
157 HB3 PRO 17 HB3 PRO 17 3.049 1.950 -3.710
158 HG2 PRO 17 HG2 PRO 17 5.743 3.023 -4.387
159 HG3 PRO 17 HG3 PRO 17 4.173 3.840 -4.428
160 HD2 PRO 17 HD2 PRO 17 5.898 4.306 -2.463
161 HD3 PRO 17 HD3 PRO 17 4.182 4.143 -2.137
162 H LYS 18 H LYS 18 4.207 -1.139 -1.915
163 HA LYS 18 HA LYS 18 6.925 -2.037 -1.962
164 HB2 LYS 18 HB2 LYS 18 4.548 -3.202 -1.065
165 HB3 LYS 18 HB3 LYS 18 4.975 -4.173 -2.456
166 HG2 LYS 18 HG2 LYS 18 6.366 -3.850 0.149
167 HG3 LYS 18 HG3 LYS 18 6.004 -5.310 -0.770
168 HD2 LYS 18 HD2 LYS 18 7.720 -4.651 -2.429
169 HD3 LYS 18 HD3 LYS 18 8.123 -3.261 -1.420
170 HE2 LYS 18 HE2 LYS 18 9.701 -5.021 -0.986
171 HE3 LYS 18 HE3 LYS 18 8.669 -4.816 0.429
172 HZ1 LYS 18 HZ1 LYS 18 7.480 -6.763 -0.091
173 HZ2 LYS 18 HZ2 LYS 18 9.109 -7.169 -0.291
174 HZ3 LYS 18 HZ3 LYS 18 8.143 -6.867 -1.645
175 H GLY 19 H GLY 19 6.881 -0.704 -4.058
176 HA2 GLY 19 HA2 GLY 19 7.943 -1.871 -6.135
177 HA3 GLY 19 HA3 GLY 19 6.262 -2.272 -6.423
178 H LEU 20 H LEU 20 6.056 0.803 -5.032
179 HA LEU 20 HA LEU 20 5.529 2.825 -6.007
180 HB2 LEU 20 HB2 LEU 20 8.152 2.017 -6.784
181 HB3 LEU 20 HB3 LEU 20 7.466 2.968 -8.073
182 HG LEU 20 HG LEU 20 7.650 3.980 -5.218
183 HD11 LEU 20 HD11 LEU 20 9.670 5.138 -5.865
184 HD12 LEU 20 HD12 LEU 20 9.623 4.377 -7.455
185 HD13 LEU 20 HD13 LEU 20 9.880 3.393 -6.014
186 HD21 LEU 20 HD21 LEU 20 7.850 6.067 -7.038
187 HD22 LEU 20 HD22 LEU 20 6.425 5.647 -6.091
188 HD23 LEU 20 HD23 LEU 20 6.611 5.023 -7.732
189 H VAL 21 H VAL 21 3.777 1.266 -6.817
190 HA VAL 21 HA VAL 21 3.421 1.652 -9.636
191 HB VAL 21 HB VAL 21 2.232 -0.833 -8.675
192 HG11 VAL 21 HG11 VAL 21 3.862 -1.156 -10.977
193 HG12 VAL 21 HG12 VAL 21 2.988 0.362 -11.170
194 HG13 VAL 21 HG13 VAL 21 2.101 -1.136 -10.888
195 HG21 VAL 21 HG21 VAL 21 4.107 -2.017 -8.417
196 HG22 VAL 21 HG22 VAL 21 4.595 -0.472 -7.735
197 HG23 VAL 21 HG23 VAL 21 5.077 -0.899 -9.365
198 H LYS 22 H LYS 22 1.250 0.553 -10.135
199 HA LYS 22 HA LYS 22 -0.817 2.229 -8.939
200 HB2 LYS 22 HB2 LYS 22 -0.625 0.709 -11.544
201 HB3 LYS 22 HB3 LYS 22 -2.168 1.297 -10.942
202 HG2 LYS 22 HG2 LYS 22 -1.409 3.570 -11.040
203 HG3 LYS 22 HG3 LYS 22 0.224 3.049 -11.457
204 HD2 LYS 22 HD2 LYS 22 -0.780 1.975 -13.514
205 HD3 LYS 22 HD3 LYS 22 -2.275 2.828 -13.123
206 HE2 LYS 22 HE2 LYS 22 -0.735 4.925 -13.038
207 HE3 LYS 22 HE3 LYS 22 0.369 3.929 -13.984
208 HZ1 LYS 22 HZ1 LYS 22 -2.425 4.620 -14.719
209 HZ2 LYS 22 HZ2 LYS 22 -1.403 3.618 -15.620
210 HZ3 LYS 22 HZ3 LYS 22 -1.023 5.254 -15.422
211 H GLY 23 H GLY 23 -3.070 0.912 -8.901
212 HA2 GLY 23 HA2 GLY 23 -4.157 -1.203 -8.226
213 HA3 GLY 23 HA3 GLY 23 -2.555 -1.885 -8.029
214 H TRP 24 H TRP 24 -1.480 0.296 -6.591
215 HA TRP 24 HA TRP 24 -1.852 -0.403 -3.968
216 HB2 TRP 24 HB2 TRP 24 -0.632 1.948 -5.413
217 HB3 TRP 24 HB3 TRP 24 -0.510 1.762 -3.685
218 HD1 TRP 24 HD1 TRP 24 1.253 0.765 -6.791
219 HE1 TRP 24 HE1 TRP 24 3.035 -0.937 -6.255
220 HE3 TRP 24 HE3 TRP 24 -0.186 -0.457 -2.057
221 HZ2 TRP 24 HZ2 TRP 24 3.751 -2.657 -4.169
222 HZ3 TRP 24 HZ3 TRP 24 1.076 -2.234 -0.912
223 HH2 TRP 24 HH2 TRP 24 3.018 -3.243 -1.913
224 H GLU 25 H GLU 25 -3.148 0.406 -2.298
225 HA GLU 25 HA GLU 25 -4.591 2.913 -2.713
226 HB2 GLU 25 HB2 GLU 25 -5.936 0.237 -2.681
227 HB3 GLU 25 HB3 GLU 25 -6.723 1.573 -1.856
228 HG2 GLU 25 HG2 GLU 25 -7.637 2.029 -3.827
229 HG3 GLU 25 HG3 GLU 25 -6.065 2.701 -4.254
230 H LYS 26 H LYS 26 -4.289 4.029 -0.886
231 HA LYS 26 HA LYS 26 -3.438 2.716 1.479
232 HB2 LYS 26 HB2 LYS 26 -2.595 5.048 1.182
233 HB3 LYS 26 HB3 LYS 26 -4.211 5.622 0.909
234 HG2 LYS 26 HG2 LYS 26 -4.800 5.381 3.234
235 HG3 LYS 26 HG3 LYS 26 -3.223 4.665 3.589
236 HD2 LYS 26 HD2 LYS 26 -3.347 7.345 2.271
237 HD3 LYS 26 HD3 LYS 26 -3.678 7.210 4.006
238 HE2 LYS 26 HE2 LYS 26 -1.494 5.987 4.274
239 HE3 LYS 26 HE3 LYS 26 -1.165 6.346 2.572
240 HZ1 LYS 26 HZ1 LYS 26 -0.107 7.952 4.016
241 HZ2 LYS 26 HZ2 LYS 26 -1.592 8.358 4.715
242 HZ3 LYS 26 HZ3 LYS 26 -1.300 8.711 3.087
243 H ARG 27 H ARG 27 -4.577 1.849 3.077
244 HA ARG 27 HA ARG 27 -7.417 2.560 3.355
245 HB2 ARG 27 HB2 ARG 27 -6.523 0.179 2.467
246 HB3 ARG 27 HB3 ARG 27 -6.567 -0.203 4.151
247 HG2 ARG 27 HG2 ARG 27 -8.649 -0.063 2.148
248 HG3 ARG 27 HG3 ARG 27 -8.699 -0.756 3.752
249 HD2 ARG 27 HD2 ARG 27 -9.764 1.034 4.629
250 HD3 ARG 27 HD3 ARG 27 -8.876 2.184 3.640
251 HE ARG 27 HE ARG 27 -11.395 0.934 3.022
252 HH11 ARG 27 HH11 ARG 27 -8.616 2.624 1.716
253 HH12 ARG 27 HH12 ARG 27 -9.452 3.150 0.295
254 HH21 ARG 27 HH21 ARG 27 -12.487 1.631 1.147
255 HH22 ARG 27 HH22 ARG 27 -11.648 2.588 -0.028
256 H TRP 28 H TRP 28 -8.227 1.649 5.492
257 HA TRP 28 HA TRP 28 -6.619 2.793 7.624
258 HB2 TRP 28 HB2 TRP 28 -9.112 3.242 7.298
259 HB3 TRP 28 HB3 TRP 28 -9.385 1.603 7.856
260 HD1 TRP 28 HD1 TRP 28 -10.324 1.801 10.173
261 HE1 TRP 28 HE1 TRP 28 -9.735 3.057 12.324
262 HE3 TRP 28 HE3 TRP 28 -6.478 4.635 8.397
263 HZ2 TRP 28 HZ2 TRP 28 -7.877 5.017 13.166
264 HZ3 TRP 28 HZ3 TRP 28 -5.347 6.184 9.937
265 HH2 TRP 28 HH2 TRP 28 -6.033 6.371 12.272
266 H ASP 29 H ASP 29 -5.921 1.700 9.463
267 HA ASP 29 HA ASP 29 -6.362 -1.191 9.592
268 HB2 ASP 29 HB2 ASP 29 -4.015 -1.681 9.911
269 HB3 ASP 29 HB3 ASP 29 -4.224 -0.832 8.400
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 -4.434 1.988 12.221
2 H2 ARG 1 H2 ARG 1 -5.426 3.226 11.570
3 H3 ARG 1 H3 ARG 1 -4.573 3.490 13.034
4 HA ARG 1 HA ARG 1 -3.256 4.582 11.608
5 HB2 ARG 1 HB2 ARG 1 -2.398 2.051 12.516
6 HB3 ARG 1 HB3 ARG 1 -1.866 2.128 10.848
7 HG2 ARG 1 HG2 ARG 1 -0.824 4.399 11.496
8 HG3 ARG 1 HG3 ARG 1 -1.058 3.856 13.160
9 HD2 ARG 1 HD2 ARG 1 1.176 3.310 12.386
10 HD3 ARG 1 HD3 ARG 1 0.244 1.841 12.673
11 HE ARG 1 HE ARG 1 0.171 2.760 9.943
12 HH11 ARG 1 HH11 ARG 1 1.937 0.814 12.261
13 HH12 ARG 1 HH12 ARG 1 2.651 -0.195 11.050
14 HH21 ARG 1 HH21 ARG 1 1.112 1.424 8.357
15 HH22 ARG 1 HH22 ARG 1 2.185 0.151 8.834
16 H TRP 2 H TRP 2 -2.393 4.970 9.518
17 HA TRP 2 HA TRP 2 -4.070 3.915 7.373
18 HB2 TRP 2 HB2 TRP 2 -2.285 6.331 7.590
19 HB3 TRP 2 HB3 TRP 2 -2.973 5.832 6.085
20 HD1 TRP 2 HD1 TRP 2 -3.672 7.935 8.948
21 HE1 TRP 2 HE1 TRP 2 -6.131 8.735 8.925
22 HE3 TRP 2 HE3 TRP 2 -5.425 4.781 5.433
23 HZ2 TRP 2 HZ2 TRP 2 -8.526 8.065 7.538
24 HZ3 TRP 2 HZ3 TRP 2 -7.804 4.885 4.776
25 HH2 TRP 2 HH2 TRP 2 -9.322 6.499 5.814
26 H PHE 3 H PHE 3 -3.098 3.308 5.321
27 HA PHE 3 HA PHE 3 -0.361 2.989 4.903
28 HB2 PHE 3 HB2 PHE 3 0.050 0.692 5.259
29 HB3 PHE 3 HB3 PHE 3 -0.589 1.386 6.710
30 HD1 PHE 3 HD1 PHE 3 -3.349 1.194 6.748
31 HD2 PHE 3 HD2 PHE 3 -0.607 -1.344 4.723
32 HE1 PHE 3 HE1 PHE 3 -5.067 -0.573 6.655
33 HE2 PHE 3 HE2 PHE 3 -2.311 -3.124 4.640
34 HZ PHE 3 HZ PHE 3 -4.547 -2.734 5.602
35 H TYR 4 H TYR 4 0.114 1.362 3.113
36 HA TYR 4 HA TYR 4 -1.976 1.767 1.140
37 HB2 TYR 4 HB2 TYR 4 0.835 1.155 0.407
38 HB3 TYR 4 HB3 TYR 4 -0.287 2.290 -0.247
39 HD1 TYR 4 HD2 TYR 4 -0.698 3.494 2.796
40 HD2 TYR 4 HD1 TYR 4 2.543 2.865 0.101
41 HE1 TYR 4 HE2 TYR 4 0.478 5.256 3.875
42 HE2 TYR 4 HE1 TYR 4 3.764 4.678 1.205
43 HH TYR 4 HH TYR 4 2.636 6.956 2.849
44 H PHE 5 H PHE 5 -2.654 0.208 -0.239
45 HA PHE 5 HA PHE 5 -1.644 -2.520 0.184
46 HB2 PHE 5 HB2 PHE 5 -3.865 -2.147 1.208
47 HB3 PHE 5 HB3 PHE 5 -4.505 -1.739 -0.358
48 HD1 PHE 5 HD2 PHE 5 -2.348 -4.508 0.959
49 HD2 PHE 5 HD1 PHE 5 -5.760 -3.377 -1.314
50 HE1 PHE 5 HE2 PHE 5 -2.765 -6.856 0.404
51 HE2 PHE 5 HE1 PHE 5 -6.171 -5.720 -1.875
52 HZ PHE 5 HZ PHE 5 -4.669 -7.450 -1.022
53 H ASN 6 H ASN 6 -1.018 -3.561 -1.612
54 HA ASN 6 HA ASN 6 -1.856 -2.403 -4.180
55 HB2 ASN 6 HB2 ASN 6 0.608 -2.572 -3.861
56 HB3 ASN 6 HB3 ASN 6 0.459 -4.269 -3.508
57 HD21 ASN 6 HD21 ASN 6 -0.794 -2.037 -6.000
58 HD22 ASN 6 HD22 ASN 6 -0.400 -3.025 -7.354
59 H ARG 7 H ARG 7 -3.485 -3.379 -5.092
60 HA ARG 7 HA ARG 7 -4.447 -5.920 -4.255
61 HB2 ARG 7 HB2 ARG 7 -6.333 -5.461 -5.506
62 HB3 ARG 7 HB3 ARG 7 -5.724 -3.869 -5.079
63 HG2 ARG 7 HG2 ARG 7 -4.921 -3.451 -7.180
64 HG3 ARG 7 HG3 ARG 7 -4.950 -5.140 -7.648
65 HD2 ARG 7 HD2 ARG 7 -7.432 -5.108 -7.584
66 HD3 ARG 7 HD3 ARG 7 -7.375 -3.378 -7.183
67 HE ARG 7 HE ARG 7 -5.915 -3.986 -9.619
68 HH11 ARG 7 HH11 ARG 7 -9.134 -3.397 -8.320
69 HH12 ARG 7 HH12 ARG 7 -9.769 -2.840 -9.830
70 HH21 ARG 7 HH21 ARG 7 -6.774 -3.251 -11.591
71 HH22 ARG 7 HH22 ARG 7 -8.431 -2.757 -11.686
72 H ILE 8 H ILE 8 -2.350 -4.898 -6.782
73 HA ILE 8 HA ILE 8 -2.815 -7.097 -8.557
74 HB ILE 8 HB ILE 8 -0.479 -5.174 -8.354
75 HG12 ILE 8 HG12 ILE 8 -2.985 -4.520 -9.193
76 HG13 ILE 8 HG13 ILE 8 -1.521 -3.755 -9.774
77 HG21 ILE 8 HG21 ILE 8 -1.046 -7.142 -10.565
78 HG22 ILE 8 HG22 ILE 8 0.252 -7.258 -9.375
79 HG23 ILE 8 HG23 ILE 8 0.243 -5.938 -10.543
80 HD11 ILE 8 HD11 ILE 8 -3.493 -5.195 -11.234
81 HD12 ILE 8 HD12 ILE 8 -1.936 -6.003 -11.417
82 HD13 ILE 8 HD13 ILE 8 -2.098 -4.297 -11.826
83 H THR 9 H THR 9 -0.236 -6.385 -6.196
84 HA THR 9 HA THR 9 0.694 -9.141 -6.449
85 HB THR 9 HB THR 9 2.720 -8.451 -5.408
86 HG1 THR 9 HG1 THR 9 2.936 -6.268 -4.662
87 HG21 THR 9 HG21 THR 9 1.989 -6.124 -7.131
88 HG22 THR 9 HG22 THR 9 2.268 -7.737 -7.788
89 HG23 THR 9 HG23 THR 9 3.565 -6.897 -6.932
90 H GLY 10 H GLY 10 -0.989 -7.106 -4.365
91 HA2 GLY 10 HA2 GLY 10 -2.268 -7.635 -2.497
92 HA3 GLY 10 HA3 GLY 10 -1.550 -9.216 -2.536
93 H LYS 11 H LYS 11 0.716 -6.611 -2.592
94 HA LYS 11 HA LYS 11 1.599 -7.278 0.080
95 HB2 LYS 11 HB2 LYS 11 2.739 -5.681 -2.194
96 HB3 LYS 11 HB3 LYS 11 3.525 -5.802 -0.629
97 HG2 LYS 11 HG2 LYS 11 2.800 -8.195 -2.277
98 HG3 LYS 11 HG3 LYS 11 4.321 -7.336 -2.480
99 HD2 LYS 11 HD2 LYS 11 3.341 -8.916 -0.133
100 HD3 LYS 11 HD3 LYS 11 4.850 -9.085 -1.027
101 HE2 LYS 11 HE2 LYS 11 5.276 -6.649 -0.132
102 HE3 LYS 11 HE3 LYS 11 4.104 -7.125 1.095
103 HZ1 LYS 11 HZ1 LYS 11 6.610 -8.590 0.457
104 HZ2 LYS 11 HZ2 LYS 11 5.497 -9.004 1.662
105 HZ3 LYS 11 HZ3 LYS 11 6.384 -7.569 1.787
106 H ARG 12 H ARG 12 2.293 -5.379 1.484
107 HA ARG 12 HA ARG 12 0.824 -2.953 1.235
108 HB2 ARG 12 HB2 ARG 12 -0.659 -3.449 3.081
109 HB3 ARG 12 HB3 ARG 12 -0.872 -4.649 1.834
110 HG2 ARG 12 HG2 ARG 12 0.916 -5.106 4.190
111 HG3 ARG 12 HG3 ARG 12 -0.801 -5.407 4.292
112 HD2 ARG 12 HD2 ARG 12 1.038 -6.672 2.249
113 HD3 ARG 12 HD3 ARG 12 0.584 -7.407 3.779
114 HE ARG 12 HE ARG 12 -1.526 -6.719 1.804
115 HH11 ARG 12 HH11 ARG 12 0.174 -9.114 3.748
116 HH12 ARG 12 HH12 ARG 12 -1.010 -10.343 3.471
117 HH21 ARG 12 HH21 ARG 12 -3.067 -8.359 1.463
118 HH22 ARG 12 HH22 ARG 12 -2.841 -9.919 2.179
119 H GLN 13 H GLN 13 1.585 -1.367 2.690
120 HA GLN 13 HA GLN 13 2.680 -1.847 5.197
121 HB2 GLN 13 HB2 GLN 13 4.911 -0.750 4.263
122 HB3 GLN 13 HB3 GLN 13 4.736 -2.447 4.624
123 HG2 GLN 13 HG2 GLN 13 5.776 -2.343 2.629
124 HG3 GLN 13 HG3 GLN 13 4.098 -2.629 2.180
125 HE21 GLN 13 HE21 GLN 13 5.916 -1.413 0.319
126 HE22 GLN 13 HE22 GLN 13 5.425 0.222 0.117
127 H PHE 14 H PHE 14 4.152 0.094 5.755
128 HA PHE 14 HA PHE 14 2.550 2.498 5.255
129 HB2 PHE 14 HB2 PHE 14 3.388 1.565 7.618
130 HB3 PHE 14 HB3 PHE 14 4.859 2.411 7.175
131 HD1 PHE 14 HD2 PHE 14 1.253 3.213 6.811
132 HD2 PHE 14 HD1 PHE 14 5.035 4.374 8.332
133 HE1 PHE 14 HE2 PHE 14 0.277 5.326 7.608
134 HE2 PHE 14 HE1 PHE 14 4.078 6.486 9.136
135 HZ PHE 14 HZ PHE 14 1.697 6.956 8.770
136 H GLU 15 H GLU 15 5.366 0.994 4.177
137 HA GLU 15 HA GLU 15 6.993 3.312 3.746
138 HB2 GLU 15 HB2 GLU 15 7.376 0.602 3.815
139 HB3 GLU 15 HB3 GLU 15 7.532 0.972 2.150
140 HG2 GLU 15 HG2 GLU 15 8.957 2.872 3.706
141 HG3 GLU 15 HG3 GLU 15 9.403 1.245 4.200
142 H ARG 16 H ARG 16 7.963 3.218 1.517
143 HA ARG 16 HA ARG 16 6.220 4.396 -0.327
144 HB2 ARG 16 HB2 ARG 16 8.612 4.769 -0.393
145 HB3 ARG 16 HB3 ARG 16 8.926 3.056 -0.574
146 HG2 ARG 16 HG2 ARG 16 7.794 3.106 -2.729
147 HG3 ARG 16 HG3 ARG 16 7.647 4.857 -2.603
148 HD2 ARG 16 HD2 ARG 16 9.582 4.152 -3.974
149 HD3 ARG 16 HD3 ARG 16 10.051 5.091 -2.561
150 HE ARG 16 HE ARG 16 10.477 2.222 -2.974
151 HH11 ARG 16 HH11 ARG 16 10.947 5.065 -0.972
152 HH12 ARG 16 HH12 ARG 16 12.175 4.325 -0.004
153 HH21 ARG 16 HH21 ARG 16 12.093 1.261 -1.687
154 HH22 ARG 16 HH22 ARG 16 12.825 2.170 -0.408
155 HA PRO 17 HA PRO 17 3.874 0.999 -1.879
156 HB2 PRO 17 HB2 PRO 17 4.477 1.321 -4.632
157 HB3 PRO 17 HB3 PRO 17 3.058 1.909 -3.770
158 HG2 PRO 17 HG2 PRO 17 5.557 3.332 -4.465
159 HG3 PRO 17 HG3 PRO 17 3.916 3.966 -4.310
160 HD2 PRO 17 HD2 PRO 17 5.762 4.453 -2.461
161 HD3 PRO 17 HD3 PRO 17 4.109 4.093 -2.015
162 H LYS 18 H LYS 18 4.352 -1.080 -1.956
163 HA LYS 18 HA LYS 18 7.041 -1.990 -2.142
164 HB2 LYS 18 HB2 LYS 18 4.715 -3.163 -1.151
165 HB3 LYS 18 HB3 LYS 18 5.024 -4.092 -2.604
166 HG2 LYS 18 HG2 LYS 18 6.597 -3.890 -0.093
167 HG3 LYS 18 HG3 LYS 18 6.137 -5.309 -1.031
168 HD2 LYS 18 HD2 LYS 18 7.732 -4.498 -2.818
169 HD3 LYS 18 HD3 LYS 18 8.314 -3.319 -1.641
170 HE2 LYS 18 HE2 LYS 18 9.786 -5.169 -1.517
171 HE3 LYS 18 HE3 LYS 18 8.754 -5.258 -0.090
172 HZ1 LYS 18 HZ1 LYS 18 7.479 -6.981 -1.078
173 HZ2 LYS 18 HZ2 LYS 18 9.104 -7.408 -1.267
174 HZ3 LYS 18 HZ3 LYS 18 8.236 -6.789 -2.579
175 H GLY 19 H GLY 19 7.048 -0.670 -4.172
176 HA2 GLY 19 HA2 GLY 19 8.032 -1.705 -6.308
177 HA3 GLY 19 HA3 GLY 19 6.368 -2.194 -6.566
178 H LEU 20 H LEU 20 6.075 0.863 -5.090
179 HA LEU 20 HA LEU 20 5.396 2.859 -6.023
180 HB2 LEU 20 HB2 LEU 20 8.044 2.216 -6.853
181 HB3 LEU 20 HB3 LEU 20 7.285 3.120 -8.136
182 HG LEU 20 HG LEU 20 7.458 4.147 -5.286
183 HD11 LEU 20 HD11 LEU 20 9.701 3.702 -6.148
184 HD12 LEU 20 HD12 LEU 20 9.385 5.428 -5.976
185 HD13 LEU 20 HD13 LEU 20 9.342 4.679 -7.572
186 HD21 LEU 20 HD21 LEU 20 6.291 5.118 -7.773
187 HD22 LEU 20 HD22 LEU 20 7.475 6.242 -7.109
188 HD23 LEU 20 HD23 LEU 20 6.105 5.730 -6.127
189 H VAL 21 H VAL 21 3.724 1.203 -6.825
190 HA VAL 21 HA VAL 21 3.313 1.573 -9.645
191 HB VAL 21 HB VAL 21 2.160 -0.900 -8.603
192 HG11 VAL 21 HG11 VAL 21 2.866 0.241 -11.143
193 HG12 VAL 21 HG12 VAL 21 1.979 -1.246 -10.808
194 HG13 VAL 21 HG13 VAL 21 3.738 -1.277 -10.927
195 HG21 VAL 21 HG21 VAL 21 4.985 -0.972 -9.363
196 HG22 VAL 21 HG22 VAL 21 4.043 -2.059 -8.345
197 HG23 VAL 21 HG23 VAL 21 4.552 -0.493 -7.737
198 H LYS 22 H LYS 22 1.143 0.438 -10.092
199 HA LYS 22 HA LYS 22 -0.925 2.130 -8.919
200 HB2 LYS 22 HB2 LYS 22 -0.728 0.575 -11.499
201 HB3 LYS 22 HB3 LYS 22 -2.286 1.105 -10.887
202 HG2 LYS 22 HG2 LYS 22 0.039 2.895 -11.573
203 HG3 LYS 22 HG3 LYS 22 -1.409 2.649 -12.549
204 HD2 LYS 22 HD2 LYS 22 -1.487 3.688 -9.723
205 HD3 LYS 22 HD3 LYS 22 -1.370 4.742 -11.133
206 HE2 LYS 22 HE2 LYS 22 -3.543 4.522 -11.601
207 HE3 LYS 22 HE3 LYS 22 -3.492 2.772 -11.394
208 HZ1 LYS 22 HZ1 LYS 22 -3.673 3.088 -9.003
209 HZ2 LYS 22 HZ2 LYS 22 -4.979 3.808 -9.800
210 HZ3 LYS 22 HZ3 LYS 22 -3.721 4.768 -9.204
211 H GLY 23 H GLY 23 -3.166 0.795 -8.840
212 HA2 GLY 23 HA2 GLY 23 -4.230 -1.308 -8.101
213 HA3 GLY 23 HA3 GLY 23 -2.621 -1.975 -7.907
214 H TRP 24 H TRP 24 -1.539 0.236 -6.530
215 HA TRP 24 HA TRP 24 -1.863 -0.402 -3.885
216 HB2 TRP 24 HB2 TRP 24 -0.701 1.925 -5.410
217 HB3 TRP 24 HB3 TRP 24 -0.559 1.797 -3.679
218 HD1 TRP 24 HD1 TRP 24 1.196 0.743 -6.765
219 HE1 TRP 24 HE1 TRP 24 3.019 -0.903 -6.190
220 HE3 TRP 24 HE3 TRP 24 -0.201 -0.390 -1.990
221 HZ2 TRP 24 HZ2 TRP 24 3.781 -2.547 -4.058
222 HZ3 TRP 24 HZ3 TRP 24 1.106 -2.104 -0.808
223 HH2 TRP 24 HH2 TRP 24 3.070 -3.084 -1.783
224 H GLU 25 H GLU 25 -3.163 0.412 -2.216
225 HA GLU 25 HA GLU 25 -4.615 2.907 -2.670
226 HB2 GLU 25 HB2 GLU 25 -5.939 0.239 -2.681
227 HB3 GLU 25 HB3 GLU 25 -6.721 1.503 -1.745
228 HG2 GLU 25 HG2 GLU 25 -7.684 2.164 -3.620
229 HG3 GLU 25 HG3 GLU 25 -6.102 2.731 -4.150
230 H LYS 26 H LYS 26 -4.209 4.040 -0.877
231 HA LYS 26 HA LYS 26 -3.417 2.753 1.517
232 HB2 LYS 26 HB2 LYS 26 -2.509 5.053 1.215
233 HB3 LYS 26 HB3 LYS 26 -4.098 5.668 0.879
234 HG2 LYS 26 HG2 LYS 26 -4.764 5.502 3.183
235 HG3 LYS 26 HG3 LYS 26 -3.230 4.736 3.608
236 HD2 LYS 26 HD2 LYS 26 -3.214 7.393 2.237
237 HD3 LYS 26 HD3 LYS 26 -3.594 7.301 3.964
238 HE2 LYS 26 HE2 LYS 26 -1.470 6.044 4.343
239 HE3 LYS 26 HE3 LYS 26 -1.086 6.274 2.630
240 HZ1 LYS 26 HZ1 LYS 26 0.014 7.922 3.992
241 HZ2 LYS 26 HZ2 LYS 26 -1.466 8.440 4.627
242 HZ3 LYS 26 HZ3 LYS 26 -1.123 8.672 2.987
243 H ARG 27 H ARG 27 -4.606 1.916 3.097
244 HA ARG 27 HA ARG 27 -7.438 2.686 3.300
245 HB2 ARG 27 HB2 ARG 27 -6.550 0.273 2.477
246 HB3 ARG 27 HB3 ARG 27 -6.662 -0.078 4.164
247 HG2 ARG 27 HG2 ARG 27 -8.666 0.056 2.085
248 HG3 ARG 27 HG3 ARG 27 -8.789 -0.601 3.700
249 HD2 ARG 27 HD2 ARG 27 -9.881 1.209 4.484
250 HD3 ARG 27 HD3 ARG 27 -8.905 2.334 3.550
251 HE ARG 27 HE ARG 27 -11.435 1.227 2.816
252 HH11 ARG 27 HH11 ARG 27 -8.449 2.541 1.537
253 HH12 ARG 27 HH12 ARG 27 -9.160 3.014 0.032
254 HH21 ARG 27 HH21 ARG 27 -12.363 1.854 0.831
255 HH22 ARG 27 HH22 ARG 27 -11.381 2.625 -0.369
256 H TRP 28 H TRP 28 -8.331 1.823 5.413
257 HA TRP 28 HA TRP 28 -6.783 2.969 7.581
258 HB2 TRP 28 HB2 TRP 28 -9.238 3.467 7.193
259 HB3 TRP 28 HB3 TRP 28 -9.577 1.822 7.695
260 HD1 TRP 28 HD1 TRP 28 -10.692 2.086 9.949
261 HE1 TRP 28 HE1 TRP 28 -10.138 3.242 12.163
262 HE3 TRP 28 HE3 TRP 28 -6.509 4.620 8.494
263 HZ2 TRP 28 HZ2 TRP 28 -8.180 5.013 13.174
264 HZ3 TRP 28 HZ3 TRP 28 -5.356 6.031 10.146
265 HH2 TRP 28 HH2 TRP 28 -6.174 6.223 12.437
266 H ASP 29 H ASP 29 -6.358 1.908 9.560
267 HA ASP 29 HA ASP 29 -6.432 -1.037 9.441
268 HB2 ASP 29 HB2 ASP 29 -4.126 0.098 9.164
269 HB3 ASP 29 HB3 ASP 29 -4.250 0.473 10.869
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 -4.986 3.782 11.721
2 H2 ARG 1 H2 ARG 1 -3.882 3.971 13.019
3 H3 ARG 1 H3 ARG 1 -3.873 2.531 12.085
4 HA ARG 1 HA ARG 1 -3.035 5.237 11.313
5 HB2 ARG 1 HB2 ARG 1 -1.762 2.809 12.194
6 HB3 ARG 1 HB3 ARG 1 -1.268 3.132 10.543
7 HG2 ARG 1 HG2 ARG 1 -0.622 5.462 11.335
8 HG3 ARG 1 HG3 ARG 1 -0.854 4.851 12.978
9 HD2 ARG 1 HD2 ARG 1 0.998 3.655 10.922
10 HD3 ARG 1 HD3 ARG 1 1.494 4.749 12.211
11 HE ARG 1 HE ARG 1 0.317 2.808 13.607
12 HH11 ARG 1 HH11 ARG 1 2.642 2.626 10.991
13 HH12 ARG 1 HH12 ARG 1 3.337 1.144 11.551
14 HH21 ARG 1 HH21 ARG 1 1.241 0.858 14.338
15 HH22 ARG 1 HH22 ARG 1 2.543 0.139 13.450
16 H TRP 2 H TRP 2 -1.928 5.098 9.097
17 HA TRP 2 HA TRP 2 -3.864 3.973 7.197
18 HB2 TRP 2 HB2 TRP 2 -1.945 6.290 7.028
19 HB3 TRP 2 HB3 TRP 2 -2.786 5.684 5.646
20 HD1 TRP 2 HD1 TRP 2 -3.080 8.185 8.221
21 HE1 TRP 2 HE1 TRP 2 -5.475 9.148 8.322
22 HE3 TRP 2 HE3 TRP 2 -5.385 4.696 5.411
23 HZ2 TRP 2 HZ2 TRP 2 -8.039 8.468 7.292
24 HZ3 TRP 2 HZ3 TRP 2 -7.809 4.886 4.977
25 HH2 TRP 2 HH2 TRP 2 -9.108 6.739 5.907
26 H PHE 3 H PHE 3 -3.043 3.104 5.164
27 HA PHE 3 HA PHE 3 -0.313 2.631 4.695
28 HB2 PHE 3 HB2 PHE 3 -0.135 0.262 4.967
29 HB3 PHE 3 HB3 PHE 3 -0.509 1.060 6.471
30 HD1 PHE 3 HD1 PHE 3 -3.232 1.185 6.844
31 HD2 PHE 3 HD2 PHE 3 -1.096 -1.695 4.575
32 HE1 PHE 3 HE1 PHE 3 -5.136 -0.364 7.032
33 HE2 PHE 3 HE2 PHE 3 -2.983 -3.264 4.768
34 HZ PHE 3 HZ PHE 3 -5.014 -2.592 5.993
35 H TYR 4 H TYR 4 0.102 1.252 2.865
36 HA TYR 4 HA TYR 4 -2.080 1.591 0.986
37 HB2 TYR 4 HB2 TYR 4 0.730 1.208 0.125
38 HB3 TYR 4 HB3 TYR 4 -0.495 2.295 -0.429
39 HD1 TYR 4 HD2 TYR 4 -0.844 3.344 2.692
40 HD2 TYR 4 HD1 TYR 4 2.310 3.029 -0.156
41 HE1 TYR 4 HE2 TYR 4 0.286 5.117 3.812
42 HE2 TYR 4 HE1 TYR 4 3.469 4.858 0.987
43 HH TYR 4 HH TYR 4 2.273 6.986 2.795
44 H PHE 5 H PHE 5 -2.770 0.032 -0.326
45 HA PHE 5 HA PHE 5 -1.619 -2.658 -0.013
46 HB2 PHE 5 HB2 PHE 5 -3.847 -2.325 1.029
47 HB3 PHE 5 HB3 PHE 5 -4.500 -1.947 -0.541
48 HD1 PHE 5 HD2 PHE 5 -2.282 -4.646 0.801
49 HD2 PHE 5 HD1 PHE 5 -5.722 -3.617 -1.470
50 HE1 PHE 5 HE2 PHE 5 -2.670 -7.017 0.315
51 HE2 PHE 5 HE1 PHE 5 -6.104 -5.975 -1.981
52 HZ PHE 5 HZ PHE 5 -4.580 -7.670 -1.083
53 H ASN 6 H ASN 6 -1.015 -3.696 -1.830
54 HA ASN 6 HA ASN 6 -1.864 -2.493 -4.378
55 HB2 ASN 6 HB2 ASN 6 0.605 -2.620 -4.051
56 HB3 ASN 6 HB3 ASN 6 0.485 -4.327 -3.734
57 HD21 ASN 6 HD21 ASN 6 -0.761 -2.049 -6.192
58 HD22 ASN 6 HD22 ASN 6 -0.357 -3.011 -7.562
59 H ARG 7 H ARG 7 -3.760 -3.467 -4.866
60 HA ARG 7 HA ARG 7 -4.484 -6.063 -4.255
61 HB2 ARG 7 HB2 ARG 7 -5.358 -3.651 -5.471
62 HB3 ARG 7 HB3 ARG 7 -5.858 -4.975 -6.434
63 HG2 ARG 7 HG2 ARG 7 -6.455 -4.876 -3.496
64 HG3 ARG 7 HG3 ARG 7 -7.395 -4.001 -4.681
65 HD2 ARG 7 HD2 ARG 7 -8.014 -6.027 -5.843
66 HD3 ARG 7 HD3 ARG 7 -6.903 -6.974 -4.833
67 HE ARG 7 HE ARG 7 -8.936 -5.578 -3.274
68 HH11 ARG 7 HH11 ARG 7 -8.262 -8.478 -5.153
69 HH12 ARG 7 HH12 ARG 7 -9.464 -9.424 -4.343
70 HH21 ARG 7 HH21 ARG 7 -10.508 -6.841 -2.226
71 HH22 ARG 7 HH22 ARG 7 -10.740 -8.495 -2.683
72 H ILE 8 H ILE 8 -2.159 -5.150 -6.511
73 HA ILE 8 HA ILE 8 -2.906 -7.095 -8.541
74 HB ILE 8 HB ILE 8 -0.433 -5.355 -8.279
75 HG12 ILE 8 HG12 ILE 8 -2.907 -4.411 -8.852
76 HG13 ILE 8 HG13 ILE 8 -1.423 -3.706 -9.465
77 HG21 ILE 8 HG21 ILE 8 -1.298 -7.036 -10.626
78 HG22 ILE 8 HG22 ILE 8 0.072 -7.348 -9.557
79 HG23 ILE 8 HG23 ILE 8 0.070 -5.923 -10.596
80 HD11 ILE 8 HD11 ILE 8 -2.252 -3.935 -11.496
81 HD12 ILE 8 HD12 ILE 8 -3.611 -4.883 -10.900
82 HD13 ILE 8 HD13 ILE 8 -2.095 -5.680 -11.320
83 H THR 9 H THR 9 -0.202 -6.566 -6.278
84 HA THR 9 HA THR 9 0.600 -9.352 -6.599
85 HB THR 9 HB THR 9 2.686 -8.749 -5.597
86 HG1 THR 9 HG1 THR 9 3.010 -6.628 -4.797
87 HG21 THR 9 HG21 THR 9 3.548 -7.445 -7.240
88 HG22 THR 9 HG22 THR 9 2.208 -6.297 -7.177
89 HG23 THR 9 HG23 THR 9 1.996 -7.857 -7.972
90 H GLY 10 H GLY 10 -0.886 -7.256 -4.413
91 HA2 GLY 10 HA2 GLY 10 -2.208 -7.831 -2.579
92 HA3 GLY 10 HA3 GLY 10 -1.435 -9.385 -2.579
93 H LYS 11 H LYS 11 0.780 -6.755 -2.700
94 HA LYS 11 HA LYS 11 1.582 -7.280 0.032
95 HB2 LYS 11 HB2 LYS 11 2.853 -5.887 -2.311
96 HB3 LYS 11 HB3 LYS 11 3.588 -5.943 -0.719
97 HG2 LYS 11 HG2 LYS 11 2.794 -8.408 -2.220
98 HG3 LYS 11 HG3 LYS 11 4.352 -7.629 -2.457
99 HD2 LYS 11 HD2 LYS 11 3.269 -8.989 -0.020
100 HD3 LYS 11 HD3 LYS 11 4.779 -9.296 -0.875
101 HE2 LYS 11 HE2 LYS 11 5.362 -6.859 -0.159
102 HE3 LYS 11 HE3 LYS 11 4.098 -7.104 1.045
103 HZ1 LYS 11 HZ1 LYS 11 5.333 -9.157 1.713
104 HZ2 LYS 11 HZ2 LYS 11 6.140 -7.707 2.037
105 HZ3 LYS 11 HZ3 LYS 11 6.604 -8.654 0.715
106 H ARG 12 H ARG 12 2.143 -5.408 1.427
107 HA ARG 12 HA ARG 12 0.931 -2.894 0.902
108 HB2 ARG 12 HB2 ARG 12 -0.703 -3.152 2.688
109 HB3 ARG 12 HB3 ARG 12 -0.967 -4.277 1.392
110 HG2 ARG 12 HG2 ARG 12 0.361 -4.938 4.004
111 HG3 ARG 12 HG3 ARG 12 -1.337 -5.206 3.650
112 HD2 ARG 12 HD2 ARG 12 -0.760 -7.220 2.920
113 HD3 ARG 12 HD3 ARG 12 -0.043 -6.411 1.530
114 HE ARG 12 HE ARG 12 1.846 -6.387 3.571
115 HH11 ARG 12 HH11 ARG 12 0.198 -8.752 1.583
116 HH12 ARG 12 HH12 ARG 12 1.496 -9.896 1.654
117 HH21 ARG 12 HH21 ARG 12 3.552 -7.899 3.658
118 HH22 ARG 12 HH22 ARG 12 3.398 -9.413 2.832
119 H GLN 13 H GLN 13 1.628 -1.281 2.381
120 HA GLN 13 HA GLN 13 2.624 -1.874 4.949
121 HB2 GLN 13 HB2 GLN 13 4.781 -0.580 4.283
122 HB3 GLN 13 HB3 GLN 13 4.723 -2.315 4.289
123 HG2 GLN 13 HG2 GLN 13 5.769 -0.830 2.338
124 HG3 GLN 13 HG3 GLN 13 5.101 -2.395 2.124
125 HE21 GLN 13 HE21 GLN 13 3.934 0.941 2.078
126 HE22 GLN 13 HE22 GLN 13 2.905 0.719 0.725
127 H PHE 14 H PHE 14 3.681 0.067 5.913
128 HA PHE 14 HA PHE 14 2.010 2.403 5.498
129 HB2 PHE 14 HB2 PHE 14 2.728 1.516 7.817
130 HB3 PHE 14 HB3 PHE 14 4.364 1.986 7.391
131 HD1 PHE 14 HD1 PHE 14 1.227 3.844 6.744
132 HD2 PHE 14 HD2 PHE 14 4.867 3.640 8.897
133 HE1 PHE 14 HE1 PHE 14 0.829 6.100 7.593
134 HE2 PHE 14 HE2 PHE 14 4.486 5.906 9.768
135 HZ PHE 14 HZ PHE 14 2.462 7.133 9.112
136 H GLU 15 H GLU 15 5.160 1.166 4.740
137 HA GLU 15 HA GLU 15 6.505 3.593 4.135
138 HB2 GLU 15 HB2 GLU 15 7.140 0.957 4.390
139 HB3 GLU 15 HB3 GLU 15 7.270 1.190 2.698
140 HG2 GLU 15 HG2 GLU 15 8.531 3.343 4.045
141 HG3 GLU 15 HG3 GLU 15 9.105 1.825 4.722
142 H ARG 16 H ARG 16 7.567 3.392 1.930
143 HA ARG 16 HA ARG 16 5.909 4.423 -0.049
144 HB2 ARG 16 HB2 ARG 16 8.263 4.792 -0.083
145 HB3 ARG 16 HB3 ARG 16 8.612 3.081 0.001
146 HG2 ARG 16 HG2 ARG 16 7.657 2.820 -2.242
147 HG3 ARG 16 HG3 ARG 16 7.513 4.572 -2.358
148 HD2 ARG 16 HD2 ARG 16 9.624 3.297 -3.308
149 HD3 ARG 16 HD3 ARG 16 9.766 4.882 -2.555
150 HE ARG 16 HE ARG 16 10.902 3.926 -0.799
151 HH11 ARG 16 HH11 ARG 16 9.509 1.389 -2.772
152 HH12 ARG 16 HH12 ARG 16 10.382 0.125 -1.975
153 HH21 ARG 16 HH21 ARG 16 12.042 2.255 0.250
154 HH22 ARG 16 HH22 ARG 16 11.816 0.614 -0.257
155 HA PRO 17 HA PRO 17 3.737 0.967 -1.763
156 HB2 PRO 17 HB2 PRO 17 4.410 1.175 -4.449
157 HB3 PRO 17 HB3 PRO 17 3.080 2.020 -3.659
158 HG2 PRO 17 HG2 PRO 17 5.837 2.992 -4.265
159 HG3 PRO 17 HG3 PRO 17 4.294 3.853 -4.407
160 HD2 PRO 17 HD2 PRO 17 5.908 4.326 -2.360
161 HD3 PRO 17 HD3 PRO 17 4.175 4.190 -2.121
162 H LYS 18 H LYS 18 4.210 -1.131 -1.943
163 HA LYS 18 HA LYS 18 6.954 -1.977 -1.934
164 HB2 LYS 18 HB2 LYS 18 4.572 -3.204 -1.100
165 HB3 LYS 18 HB3 LYS 18 5.081 -4.158 -2.476
166 HG2 LYS 18 HG2 LYS 18 6.364 -3.796 0.177
167 HG3 LYS 18 HG3 LYS 18 6.095 -5.263 -0.760
168 HD2 LYS 18 HD2 LYS 18 8.290 -5.126 -1.214
169 HD3 LYS 18 HD3 LYS 18 7.807 -3.896 -2.382
170 HE2 LYS 18 HE2 LYS 18 7.979 -2.402 -0.136
171 HE3 LYS 18 HE3 LYS 18 9.203 -3.624 0.202
172 HZ1 LYS 18 HZ1 LYS 18 10.168 -1.731 -0.920
173 HZ2 LYS 18 HZ2 LYS 18 9.089 -1.895 -2.211
174 HZ3 LYS 18 HZ3 LYS 18 10.250 -3.092 -1.923
175 H GLY 19 H GLY 19 6.874 -0.603 -4.027
176 HA2 GLY 19 HA2 GLY 19 7.992 -1.736 -6.104
177 HA3 GLY 19 HA3 GLY 19 6.321 -2.171 -6.408
178 H LEU 20 H LEU 20 6.061 0.887 -4.996
179 HA LEU 20 HA LEU 20 5.506 2.913 -5.948
180 HB2 LEU 20 HB2 LEU 20 8.132 2.137 -6.748
181 HB3 LEU 20 HB3 LEU 20 7.430 3.100 -8.021
182 HG LEU 20 HG LEU 20 7.621 4.078 -5.154
183 HD11 LEU 20 HD11 LEU 20 9.629 5.273 -5.822
184 HD12 LEU 20 HD12 LEU 20 9.590 4.476 -7.395
185 HD13 LEU 20 HD13 LEU 20 9.853 3.527 -5.931
186 HD21 LEU 20 HD21 LEU 20 6.576 5.147 -7.657
187 HD22 LEU 20 HD22 LEU 20 7.803 6.190 -6.943
188 HD23 LEU 20 HD23 LEU 20 6.379 5.744 -6.006
189 H VAL 21 H VAL 21 3.752 1.371 -6.768
190 HA VAL 21 HA VAL 21 3.393 1.775 -9.583
191 HB VAL 21 HB VAL 21 2.231 -0.735 -8.656
192 HG11 VAL 21 HG11 VAL 21 2.108 -1.008 -10.874
193 HG12 VAL 21 HG12 VAL 21 3.869 -1.015 -10.956
194 HG13 VAL 21 HG13 VAL 21 2.985 0.500 -11.134
195 HG21 VAL 21 HG21 VAL 21 5.076 -0.773 -9.343
196 HG22 VAL 21 HG22 VAL 21 4.111 -1.899 -8.392
197 HG23 VAL 21 HG23 VAL 21 4.595 -0.353 -7.712
198 H LYS 22 H LYS 22 1.240 0.661 -10.103
199 HA LYS 22 HA LYS 22 -0.854 2.288 -8.883
200 HB2 LYS 22 HB2 LYS 22 -0.616 0.838 -11.522
201 HB3 LYS 22 HB3 LYS 22 -2.179 1.366 -10.915
202 HG2 LYS 22 HG2 LYS 22 -1.780 3.529 -11.378
203 HG3 LYS 22 HG3 LYS 22 -0.075 3.422 -10.935
204 HD2 LYS 22 HD2 LYS 22 0.489 2.452 -13.040
205 HD3 LYS 22 HD3 LYS 22 -1.211 2.242 -13.465
206 HE2 LYS 22 HE2 LYS 22 -0.192 4.981 -12.865
207 HE3 LYS 22 HE3 LYS 22 0.186 4.251 -14.425
208 HZ1 LYS 22 HZ1 LYS 22 -2.546 4.627 -13.317
209 HZ2 LYS 22 HZ2 LYS 22 -2.175 3.949 -14.822
210 HZ3 LYS 22 HZ3 LYS 22 -1.833 5.578 -14.522
211 H GLY 23 H GLY 23 -3.091 0.940 -8.898
212 HA2 GLY 23 HA2 GLY 23 -4.160 -1.196 -8.269
213 HA3 GLY 23 HA3 GLY 23 -2.554 -1.869 -8.075
214 H TRP 24 H TRP 24 -1.499 0.279 -6.582
215 HA TRP 24 HA TRP 24 -1.876 -0.477 -3.982
216 HB2 TRP 24 HB2 TRP 24 -0.696 1.930 -5.368
217 HB3 TRP 24 HB3 TRP 24 -0.581 1.713 -3.644
218 HD1 TRP 24 HD1 TRP 24 1.228 0.817 -6.754
219 HE1 TRP 24 HE1 TRP 24 3.041 -0.856 -6.237
220 HE3 TRP 24 HE3 TRP 24 -0.225 -0.529 -2.061
221 HZ2 TRP 24 HZ2 TRP 24 3.777 -2.604 -4.177
222 HZ3 TRP 24 HZ3 TRP 24 1.062 -2.302 -0.941
223 HH2 TRP 24 HH2 TRP 24 3.033 -3.250 -1.940
224 H GLU 25 H GLU 25 -3.143 0.319 -2.266
225 HA GLU 25 HA GLU 25 -4.682 2.771 -2.682
226 HB2 GLU 25 HB2 GLU 25 -5.914 0.062 -2.662
227 HB3 GLU 25 HB3 GLU 25 -6.711 1.293 -1.694
228 HG2 GLU 25 HG2 GLU 25 -7.502 2.366 -3.480
229 HG3 GLU 25 HG3 GLU 25 -5.997 2.188 -4.380
230 H LYS 26 H LYS 26 -4.502 3.940 -0.882
231 HA LYS 26 HA LYS 26 -3.532 2.693 1.500
232 HB2 LYS 26 HB2 LYS 26 -2.650 4.986 1.111
233 HB3 LYS 26 HB3 LYS 26 -4.256 5.585 0.817
234 HG2 LYS 26 HG2 LYS 26 -4.833 5.445 3.158
235 HG3 LYS 26 HG3 LYS 26 -3.253 4.744 3.528
236 HD2 LYS 26 HD2 LYS 26 -3.415 7.363 2.091
237 HD3 LYS 26 HD3 LYS 26 -3.681 7.298 3.841
238 HE2 LYS 26 HE2 LYS 26 -1.489 6.134 4.111
239 HE3 LYS 26 HE3 LYS 26 -1.225 6.329 2.371
240 HZ1 LYS 26 HZ1 LYS 26 -1.555 8.535 4.332
241 HZ2 LYS 26 HZ2 LYS 26 -1.331 8.734 2.667
242 HZ3 LYS 26 HZ3 LYS 26 -0.102 8.054 3.610
243 H ARG 27 H ARG 27 -4.619 1.964 3.201
244 HA ARG 27 HA ARG 27 -7.434 2.739 3.542
245 HB2 ARG 27 HB2 ARG 27 -6.689 0.321 2.620
246 HB3 ARG 27 HB3 ARG 27 -6.637 -0.075 4.293
247 HG2 ARG 27 HG2 ARG 27 -9.146 1.155 3.159
248 HG3 ARG 27 HG3 ARG 27 -8.723 -0.471 2.704
249 HD2 ARG 27 HD2 ARG 27 -9.309 0.556 5.470
250 HD3 ARG 27 HD3 ARG 27 -10.185 -0.649 4.538
251 HE ARG 27 HE ARG 27 -7.515 -1.482 4.977
252 HH11 ARG 27 HH11 ARG 27 -10.601 -1.167 6.598
253 HH12 ARG 27 HH12 ARG 27 -10.289 -2.461 7.705
254 HH21 ARG 27 HH21 ARG 27 -7.109 -3.184 6.436
255 HH22 ARG 27 HH22 ARG 27 -8.306 -3.606 7.613
256 H TRP 28 H TRP 28 -8.205 1.837 5.703
257 HA TRP 28 HA TRP 28 -6.492 2.966 7.767
258 HB2 TRP 28 HB2 TRP 28 -9.000 3.461 7.475
259 HB3 TRP 28 HB3 TRP 28 -9.272 1.873 8.162
260 HD1 TRP 28 HD1 TRP 28 -10.080 2.239 10.504
261 HE1 TRP 28 HE1 TRP 28 -9.374 3.640 12.527
262 HE3 TRP 28 HE3 TRP 28 -6.311 4.900 8.337
263 HZ2 TRP 28 HZ2 TRP 28 -7.462 5.636 13.131
264 HZ3 TRP 28 HZ3 TRP 28 -5.094 6.544 9.703
265 HH2 TRP 28 HH2 TRP 28 -5.658 6.904 12.049
266 H ASP 29 H ASP 29 -5.756 1.898 9.593
267 HA ASP 29 HA ASP 29 -6.265 -0.988 9.775
268 HB2 ASP 29 HB2 ASP 29 -3.907 -1.442 10.242
269 HB3 ASP 29 HB3 ASP 29 -4.099 -0.726 8.663
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 -5.919 6.664 9.997
2 H2 ARG 1 H2 ARG 1 -4.403 7.436 9.766
3 H3 ARG 1 H3 ARG 1 -4.756 6.664 11.257
4 HA ARG 1 HA ARG 1 -3.253 5.360 9.939
5 HB2 ARG 1 HB2 ARG 1 -5.951 4.567 10.813
6 HB3 ARG 1 HB3 ARG 1 -5.278 3.463 9.637
7 HG2 ARG 1 HG2 ARG 1 -3.360 3.093 11.040
8 HG3 ARG 1 HG3 ARG 1 -3.937 4.262 12.208
9 HD2 ARG 1 HD2 ARG 1 -6.018 2.392 11.722
10 HD3 ARG 1 HD3 ARG 1 -4.533 1.495 12.031
11 HE ARG 1 HE ARG 1 -5.955 3.230 13.888
12 HH11 ARG 1 HH11 ARG 1 -3.114 1.283 13.247
13 HH12 ARG 1 HH12 ARG 1 -2.660 1.178 14.913
14 HH21 ARG 1 HH21 ARG 1 -5.350 3.086 16.080
15 HH22 ARG 1 HH22 ARG 1 -3.928 2.200 16.521
16 H TRP 2 H TRP 2 -2.658 4.801 8.045
17 HA TRP 2 HA TRP 2 -4.264 4.617 5.677
18 HB2 TRP 2 HB2 TRP 2 -2.601 6.403 4.785
19 HB3 TRP 2 HB3 TRP 2 -3.650 6.959 5.970
20 HD1 TRP 2 HD1 TRP 2 -2.269 8.522 7.513
21 HE1 TRP 2 HE1 TRP 2 0.095 8.465 8.575
22 HE3 TRP 2 HE3 TRP 2 -0.791 4.518 5.321
23 HZ2 TRP 2 HZ2 TRP 2 2.346 6.557 8.473
24 HZ3 TRP 2 HZ3 TRP 2 1.135 3.385 5.784
25 HH2 TRP 2 HH2 TRP 2 2.876 4.409 7.314
26 H PHE 3 H PHE 3 -2.625 4.059 3.734
27 HA PHE 3 HA PHE 3 -0.131 3.012 4.114
28 HB2 PHE 3 HB2 PHE 3 -0.152 0.693 4.449
29 HB3 PHE 3 HB3 PHE 3 -1.160 1.356 5.650
30 HD1 PHE 3 HD1 PHE 3 -2.853 1.105 2.483
31 HD2 PHE 3 HD2 PHE 3 -1.650 -1.134 5.887
32 HE1 PHE 3 HE1 PHE 3 -4.465 -0.615 1.909
33 HE2 PHE 3 HE2 PHE 3 -3.286 -2.863 5.324
34 HZ PHE 3 HZ PHE 3 -4.709 -2.607 3.323
35 H TYR 4 H TYR 4 -0.194 0.570 2.497
36 HA TYR 4 HA TYR 4 -1.392 1.502 0.045
37 HB2 TYR 4 HB2 TYR 4 1.489 0.877 0.173
38 HB3 TYR 4 HB3 TYR 4 0.601 1.708 -1.047
39 HD1 TYR 4 HD2 TYR 4 1.791 1.961 2.403
40 HD2 TYR 4 HD1 TYR 4 0.272 4.064 -0.964
41 HE1 TYR 4 HE2 TYR 4 2.298 4.052 3.507
42 HE2 TYR 4 HE1 TYR 4 0.686 6.193 0.176
43 HH TYR 4 HH TYR 4 1.237 6.527 3.339
44 H PHE 5 H PHE 5 -2.572 -0.222 -0.085
45 HA PHE 5 HA PHE 5 -1.398 -2.892 -0.033
46 HB2 PHE 5 HB2 PHE 5 -3.476 -2.562 1.240
47 HB3 PHE 5 HB3 PHE 5 -4.308 -2.067 -0.212
48 HD1 PHE 5 HD2 PHE 5 -2.111 -4.920 0.791
49 HD2 PHE 5 HD1 PHE 5 -5.667 -3.639 -1.150
50 HE1 PHE 5 HE2 PHE 5 -2.657 -7.243 0.256
51 HE2 PHE 5 HE1 PHE 5 -6.204 -5.956 -1.714
52 HZ PHE 5 HZ PHE 5 -4.692 -7.749 -1.024
53 H ASN 6 H ASN 6 -0.853 -3.825 -1.893
54 HA ASN 6 HA ASN 6 -1.919 -2.623 -4.342
55 HB2 ASN 6 HB2 ASN 6 0.571 -2.775 -4.112
56 HB3 ASN 6 HB3 ASN 6 0.448 -4.502 -3.932
57 HD21 ASN 6 HD21 ASN 6 -0.944 -2.048 -6.126
58 HD22 ASN 6 HD22 ASN 6 -0.560 -2.869 -7.591
59 H ARG 7 H ARG 7 -3.709 -3.545 -4.932
60 HA ARG 7 HA ARG 7 -4.596 -6.110 -4.252
61 HB2 ARG 7 HB2 ARG 7 -6.486 -5.605 -5.507
62 HB3 ARG 7 HB3 ARG 7 -5.854 -4.034 -5.028
63 HG2 ARG 7 HG2 ARG 7 -5.055 -3.546 -7.099
64 HG3 ARG 7 HG3 ARG 7 -5.062 -5.217 -7.624
65 HD2 ARG 7 HD2 ARG 7 -7.546 -5.209 -7.588
66 HD3 ARG 7 HD3 ARG 7 -7.505 -3.491 -7.135
67 HE ARG 7 HE ARG 7 -6.012 -4.014 -9.569
68 HH11 ARG 7 HH11 ARG 7 -9.251 -3.499 -8.292
69 HH12 ARG 7 HH12 ARG 7 -9.877 -2.908 -9.794
70 HH21 ARG 7 HH21 ARG 7 -6.857 -3.234 -11.531
71 HH22 ARG 7 HH22 ARG 7 -8.519 -2.758 -11.632
72 H ILE 8 H ILE 8 -2.455 -5.083 -6.708
73 HA ILE 8 HA ILE 8 -2.954 -7.212 -8.572
74 HB ILE 8 HB ILE 8 -0.597 -5.320 -8.322
75 HG12 ILE 8 HG12 ILE 8 -3.127 -4.586 -9.051
76 HG13 ILE 8 HG13 ILE 8 -1.664 -3.785 -9.585
77 HG21 ILE 8 HG21 ILE 8 -1.264 -7.194 -10.583
78 HG22 ILE 8 HG22 ILE 8 0.118 -7.293 -9.489
79 HG23 ILE 8 HG23 ILE 8 -0.016 -5.949 -10.622
80 HD11 ILE 8 HD11 ILE 8 -2.166 -4.219 -11.679
81 HD12 ILE 8 HD12 ILE 8 -3.672 -4.961 -11.144
82 HD13 ILE 8 HD13 ILE 8 -2.227 -5.951 -11.356
83 H THR 9 H THR 9 -0.345 -6.544 -6.227
84 HA THR 9 HA THR 9 0.617 -9.277 -6.559
85 HB THR 9 HB THR 9 2.635 -8.575 -5.477
86 HG1 THR 9 HG1 THR 9 2.787 -6.384 -4.710
87 HG21 THR 9 HG21 THR 9 3.468 -7.103 -7.033
88 HG22 THR 9 HG22 THR 9 1.964 -6.179 -7.107
89 HG23 THR 9 HG23 THR 9 2.059 -7.768 -7.865
90 H GLY 10 H GLY 10 -1.044 -7.307 -4.389
91 HA2 GLY 10 HA2 GLY 10 -2.402 -7.967 -2.632
92 HA3 GLY 10 HA3 GLY 10 -1.590 -9.496 -2.632
93 H LYS 11 H LYS 11 0.668 -6.960 -2.581
94 HA LYS 11 HA LYS 11 1.225 -7.449 0.219
95 HB2 LYS 11 HB2 LYS 11 2.740 -6.168 -2.034
96 HB3 LYS 11 HB3 LYS 11 3.344 -6.224 -0.393
97 HG2 LYS 11 HG2 LYS 11 2.557 -8.684 -1.909
98 HG3 LYS 11 HG3 LYS 11 4.164 -7.983 -2.029
99 HD2 LYS 11 HD2 LYS 11 2.821 -9.233 0.338
100 HD3 LYS 11 HD3 LYS 11 4.373 -9.640 -0.390
101 HE2 LYS 11 HE2 LYS 11 5.046 -7.232 0.321
102 HE3 LYS 11 HE3 LYS 11 3.668 -7.357 1.415
103 HZ1 LYS 11 HZ1 LYS 11 6.104 -9.041 1.360
104 HZ2 LYS 11 HZ2 LYS 11 4.714 -9.486 2.215
105 HZ3 LYS 11 HZ3 LYS 11 5.538 -8.066 2.622
106 H ARG 12 H ARG 12 1.822 -5.615 1.606
107 HA ARG 12 HA ARG 12 0.988 -3.009 1.021
108 HB2 ARG 12 HB2 ARG 12 -0.727 -2.961 2.763
109 HB3 ARG 12 HB3 ARG 12 -1.142 -4.002 1.432
110 HG2 ARG 12 HG2 ARG 12 -0.183 -4.843 4.153
111 HG3 ARG 12 HG3 ARG 12 -1.821 -4.953 3.542
112 HD2 ARG 12 HD2 ARG 12 -1.317 -7.041 2.968
113 HD3 ARG 12 HD3 ARG 12 -0.407 -6.327 1.641
114 HE ARG 12 HE ARG 12 1.244 -6.414 3.903
115 HH11 ARG 12 HH11 ARG 12 -0.283 -8.622 1.656
116 HH12 ARG 12 HH12 ARG 12 0.935 -9.839 1.835
117 HH21 ARG 12 HH21 ARG 12 2.845 -8.020 4.133
118 HH22 ARG 12 HH22 ARG 12 2.710 -9.499 3.242
119 H GLN 13 H GLN 13 1.774 -1.530 2.539
120 HA GLN 13 HA GLN 13 2.747 -2.379 5.091
121 HB2 GLN 13 HB2 GLN 13 4.831 -0.863 4.425
122 HB3 GLN 13 HB3 GLN 13 4.868 -2.600 4.456
123 HG2 GLN 13 HG2 GLN 13 5.797 -1.138 2.463
124 HG3 GLN 13 HG3 GLN 13 5.143 -2.707 2.282
125 HE21 GLN 13 HE21 GLN 13 3.802 0.537 2.412
126 HE22 GLN 13 HE22 GLN 13 2.799 0.341 1.047
127 H PHE 14 H PHE 14 3.772 -0.492 6.188
128 HA PHE 14 HA PHE 14 1.928 1.681 6.127
129 HB2 PHE 14 HB2 PHE 14 4.446 1.164 7.768
130 HB3 PHE 14 HB3 PHE 14 3.360 2.472 7.989
131 HD1 PHE 14 HD2 PHE 14 0.725 1.599 8.070
132 HD2 PHE 14 HD1 PHE 14 4.204 -0.530 9.312
133 HE1 PHE 14 HE2 PHE 14 -0.641 0.171 9.475
134 HE2 PHE 14 HE1 PHE 14 2.816 -1.953 10.741
135 HZ PHE 14 HZ PHE 14 0.390 -1.599 10.824
136 H GLU 15 H GLU 15 5.102 0.881 5.034
137 HA GLU 15 HA GLU 15 6.010 3.530 4.474
138 HB2 GLU 15 HB2 GLU 15 7.076 1.010 4.533
139 HB3 GLU 15 HB3 GLU 15 7.080 1.388 2.866
140 HG2 GLU 15 HG2 GLU 15 8.033 3.604 4.383
141 HG3 GLU 15 HG3 GLU 15 8.906 2.144 4.832
142 H ARG 16 H ARG 16 6.840 3.665 2.223
143 HA ARG 16 HA ARG 16 4.936 4.448 0.403
144 HB2 ARG 16 HB2 ARG 16 7.180 5.166 0.184
145 HB3 ARG 16 HB3 ARG 16 7.803 3.534 0.240
146 HG2 ARG 16 HG2 ARG 16 6.553 3.205 -1.953
147 HG3 ARG 16 HG3 ARG 16 6.536 4.966 -2.045
148 HD2 ARG 16 HD2 ARG 16 8.996 3.249 -1.712
149 HD3 ARG 16 HD3 ARG 16 8.458 3.957 -3.233
150 HE ARG 16 HE ARG 16 8.665 6.125 -1.687
151 HH11 ARG 16 HH11 ARG 16 10.880 3.456 -2.183
152 HH12 ARG 16 HH12 ARG 16 12.290 4.412 -1.875
153 HH21 ARG 16 HH21 ARG 16 10.528 7.375 -1.284
154 HH22 ARG 16 HH22 ARG 16 12.091 6.635 -1.365
155 HA PRO 17 HA PRO 17 3.085 0.883 -1.466
156 HB2 PRO 17 HB2 PRO 17 3.856 1.256 -4.132
157 HB3 PRO 17 HB3 PRO 17 2.380 1.849 -3.379
158 HG2 PRO 17 HG2 PRO 17 4.947 3.271 -3.871
159 HG3 PRO 17 HG3 PRO 17 3.290 3.890 -3.944
160 HD2 PRO 17 HD2 PRO 17 4.859 4.466 -1.878
161 HD3 PRO 17 HD3 PRO 17 3.167 4.079 -1.641
162 H LYS 18 H LYS 18 3.763 -1.173 -1.631
163 HA LYS 18 HA LYS 18 6.584 -1.746 -1.622
164 HB2 LYS 18 HB2 LYS 18 4.270 -3.255 -0.880
165 HB3 LYS 18 HB3 LYS 18 5.052 -4.138 -2.172
166 HG2 LYS 18 HG2 LYS 18 6.052 -3.499 0.560
167 HG3 LYS 18 HG3 LYS 18 6.026 -5.035 -0.303
168 HD2 LYS 18 HD2 LYS 18 7.748 -4.054 -1.868
169 HD3 LYS 18 HD3 LYS 18 7.884 -2.705 -0.739
170 HE2 LYS 18 HE2 LYS 18 9.591 -4.104 -0.046
171 HE3 LYS 18 HE3 LYS 18 8.273 -4.550 1.036
172 HZ1 LYS 18 HZ1 LYS 18 9.396 -6.496 0.141
173 HZ2 LYS 18 HZ2 LYS 18 9.039 -6.008 -1.438
174 HZ3 LYS 18 HZ3 LYS 18 7.789 -6.441 -0.384
175 H GLY 19 H GLY 19 6.246 -0.354 -3.741
176 HA2 GLY 19 HA2 GLY 19 7.450 -1.507 -5.841
177 HA3 GLY 19 HA3 GLY 19 5.756 -1.845 -6.138
178 H LEU 20 H LEU 20 5.478 1.129 -4.666
179 HA LEU 20 HA LEU 20 5.039 3.211 -5.530
180 HB2 LEU 20 HB2 LEU 20 7.682 2.423 -6.251
181 HB3 LEU 20 HB3 LEU 20 7.057 3.457 -7.508
182 HG LEU 20 HG LEU 20 7.131 4.294 -4.593
183 HD11 LEU 20 HD11 LEU 20 9.188 5.458 -5.074
184 HD12 LEU 20 HD12 LEU 20 9.196 4.820 -6.718
185 HD13 LEU 20 HD13 LEU 20 9.388 3.727 -5.347
186 HD21 LEU 20 HD21 LEU 20 7.424 6.482 -6.282
187 HD22 LEU 20 HD22 LEU 20 5.964 6.029 -5.408
188 HD23 LEU 20 HD23 LEU 20 6.198 5.495 -7.075
189 H VAL 21 H VAL 21 3.316 1.701 -6.524
190 HA VAL 21 HA VAL 21 2.968 2.425 -9.265
191 HB VAL 21 HB VAL 21 1.984 -0.262 -8.757
192 HG11 VAL 21 HG11 VAL 21 3.658 -0.044 -11.048
193 HG12 VAL 21 HG12 VAL 21 2.632 1.390 -10.994
194 HG13 VAL 21 HG13 VAL 21 1.904 -0.216 -10.990
195 HG21 VAL 21 HG21 VAL 21 4.826 -0.022 -9.396
196 HG22 VAL 21 HG22 VAL 21 3.926 -1.334 -8.637
197 HG23 VAL 21 HG23 VAL 21 4.312 0.123 -7.727
198 H LYS 22 H LYS 22 0.873 1.230 -9.945
199 HA LYS 22 HA LYS 22 -1.291 2.582 -8.551
200 HB2 LYS 22 HB2 LYS 22 -1.073 1.256 -11.261
201 HB3 LYS 22 HB3 LYS 22 -2.623 1.738 -10.585
202 HG2 LYS 22 HG2 LYS 22 -2.301 3.717 -11.528
203 HG3 LYS 22 HG3 LYS 22 -1.042 3.999 -10.325
204 HD2 LYS 22 HD2 LYS 22 -0.238 2.409 -12.677
205 HD3 LYS 22 HD3 LYS 22 -0.630 4.100 -12.992
206 HE2 LYS 22 HE2 LYS 22 1.237 3.278 -10.785
207 HE3 LYS 22 HE3 LYS 22 1.799 3.534 -12.436
208 HZ1 LYS 22 HZ1 LYS 22 2.101 5.534 -11.187
209 HZ2 LYS 22 HZ2 LYS 22 0.489 5.536 -10.677
210 HZ3 LYS 22 HZ3 LYS 22 0.860 5.800 -12.306
211 H GLY 23 H GLY 23 -3.428 1.135 -8.539
212 HA2 GLY 23 HA2 GLY 23 -4.387 -1.077 -8.003
213 HA3 GLY 23 HA3 GLY 23 -2.750 -1.696 -7.920
214 H TRP 24 H TRP 24 -1.653 0.328 -6.331
215 HA TRP 24 HA TRP 24 -1.939 -0.593 -3.774
216 HB2 TRP 24 HB2 TRP 24 -0.807 1.929 -4.995
217 HB3 TRP 24 HB3 TRP 24 -0.586 1.513 -3.319
218 HD1 TRP 24 HD1 TRP 24 0.924 0.895 -6.660
219 HE1 TRP 24 HE1 TRP 24 2.776 -0.814 -6.463
220 HE3 TRP 24 HE3 TRP 24 -0.009 -0.771 -1.958
221 HZ2 TRP 24 HZ2 TRP 24 3.708 -2.709 -4.649
222 HZ3 TRP 24 HZ3 TRP 24 1.369 -2.644 -1.118
223 HH2 TRP 24 HH2 TRP 24 3.216 -3.525 -2.396
224 H GLU 25 H GLU 25 -3.003 0.176 -1.935
225 HA GLU 25 HA GLU 25 -4.797 2.503 -2.235
226 HB2 GLU 25 HB2 GLU 25 -5.747 -0.176 -2.178
227 HB3 GLU 25 HB3 GLU 25 -6.115 0.524 -0.608
228 HG2 GLU 25 HG2 GLU 25 -7.942 1.323 -1.582
229 HG3 GLU 25 HG3 GLU 25 -6.877 2.506 -2.337
230 H LYS 26 H LYS 26 -4.987 3.767 -0.367
231 HA LYS 26 HA LYS 26 -3.176 2.967 1.726
232 HB2 LYS 26 HB2 LYS 26 -3.319 5.382 0.472
233 HB3 LYS 26 HB3 LYS 26 -4.526 5.673 1.687
234 HG2 LYS 26 HG2 LYS 26 -2.993 5.908 3.387
235 HG3 LYS 26 HG3 LYS 26 -1.701 5.073 2.519
236 HD2 LYS 26 HD2 LYS 26 -1.349 6.870 1.072
237 HD3 LYS 26 HD3 LYS 26 -2.903 7.612 1.490
238 HE2 LYS 26 HE2 LYS 26 -2.130 8.211 3.694
239 HE3 LYS 26 HE3 LYS 26 -0.651 7.266 3.468
240 HZ1 LYS 26 HZ1 LYS 26 -1.379 9.681 1.900
241 HZ2 LYS 26 HZ2 LYS 26 0.057 8.798 1.760
242 HZ3 LYS 26 HZ3 LYS 26 -0.277 9.647 3.184
243 H ARG 27 H ARG 27 -3.640 2.157 3.581
244 HA ARG 27 HA ARG 27 -5.705 2.901 5.262
245 HB2 ARG 27 HB2 ARG 27 -6.880 1.702 3.317
246 HB3 ARG 27 HB3 ARG 27 -6.358 0.220 4.078
247 HG2 ARG 27 HG2 ARG 27 -7.453 1.152 6.190
248 HG3 ARG 27 HG3 ARG 27 -8.206 2.341 5.132
249 HD2 ARG 27 HD2 ARG 27 -9.624 0.344 5.626
250 HD3 ARG 27 HD3 ARG 27 -9.363 0.646 3.910
251 HE ARG 27 HE ARG 27 -7.429 -1.177 4.896
252 HH11 ARG 27 HH11 ARG 27 -10.819 -0.995 4.040
253 HH12 ARG 27 HH12 ARG 27 -10.937 -2.678 3.655
254 HH21 ARG 27 HH21 ARG 27 -7.590 -3.392 4.389
255 HH22 ARG 27 HH22 ARG 27 -9.104 -4.040 3.853
256 H TRP 28 H TRP 28 -3.999 2.761 6.433
257 HA TRP 28 HA TRP 28 -2.141 0.992 7.178
258 HB2 TRP 28 HB2 TRP 28 -2.374 3.201 8.096
259 HB3 TRP 28 HB3 TRP 28 -3.796 2.760 8.945
260 HD1 TRP 28 HD1 TRP 28 -2.423 0.390 10.496
261 HE1 TRP 28 HE1 TRP 28 -0.929 1.092 12.485
262 HE3 TRP 28 HE3 TRP 28 -1.426 5.004 8.927
263 HZ2 TRP 28 HZ2 TRP 28 0.448 3.527 13.264
264 HZ3 TRP 28 HZ3 TRP 28 -0.155 6.534 10.269
265 HH2 TRP 28 HH2 TRP 28 0.768 5.813 12.388
266 H ASP 29 H ASP 29 -5.371 0.647 7.533
267 HA ASP 29 HA ASP 29 -6.828 -0.829 8.622
268 HB2 ASP 29 HB2 ASP 29 -5.591 -2.094 6.736
269 HB3 ASP 29 HB3 ASP 29 -4.717 -2.898 8.036
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 -4.160 3.249 13.170
2 H2 ARG 1 H2 ARG 1 -4.111 1.835 12.200
3 H3 ARG 1 H3 ARG 1 -5.138 3.138 11.768
4 HA ARG 1 HA ARG 1 -3.015 4.496 11.694
5 HB2 ARG 1 HB2 ARG 1 -2.060 1.878 12.358
6 HB3 ARG 1 HB3 ARG 1 -1.493 2.250 10.740
7 HG2 ARG 1 HG2 ARG 1 -0.580 4.421 11.713
8 HG3 ARG 1 HG3 ARG 1 -0.908 3.716 13.301
9 HD2 ARG 1 HD2 ARG 1 0.452 1.788 11.705
10 HD3 ARG 1 HD3 ARG 1 1.328 3.314 11.611
11 HE ARG 1 HE ARG 1 0.593 2.560 14.288
12 HH11 ARG 1 HH11 ARG 1 3.015 2.215 11.780
13 HH12 ARG 1 HH12 ARG 1 4.285 1.828 12.891
14 HH21 ARG 1 HH21 ARG 1 2.271 2.050 15.744
15 HH22 ARG 1 HH22 ARG 1 3.863 1.734 15.141
16 H TRP 2 H TRP 2 -1.975 4.703 9.521
17 HA TRP 2 HA TRP 2 -3.857 3.833 7.442
18 HB2 TRP 2 HB2 TRP 2 -2.012 6.197 7.683
19 HB3 TRP 2 HB3 TRP 2 -2.711 5.757 6.165
20 HD1 TRP 2 HD1 TRP 2 -3.343 7.847 9.033
21 HE1 TRP 2 HE1 TRP 2 -5.792 8.671 9.068
22 HE3 TRP 2 HE3 TRP 2 -5.217 4.701 5.571
23 HZ2 TRP 2 HZ2 TRP 2 -8.227 8.023 7.746
24 HZ3 TRP 2 HZ3 TRP 2 -7.612 4.828 4.977
25 HH2 TRP 2 HH2 TRP 2 -9.084 6.461 6.048
26 H PHE 3 H PHE 3 -2.957 3.297 5.304
27 HA PHE 3 HA PHE 3 -0.267 2.901 4.767
28 HB2 PHE 3 HB2 PHE 3 0.102 0.568 5.002
29 HB3 PHE 3 HB3 PHE 3 -0.384 1.250 6.522
30 HD1 PHE 3 HD1 PHE 3 -3.203 1.174 6.649
31 HD2 PHE 3 HD2 PHE 3 -0.579 -1.504 4.644
32 HE1 PHE 3 HE1 PHE 3 -4.962 -0.554 6.670
33 HE2 PHE 3 HE2 PHE 3 -2.322 -3.243 4.680
34 HZ PHE 3 HZ PHE 3 -4.521 -2.763 5.686
35 H TYR 4 H TYR 4 0.134 1.431 2.911
36 HA TYR 4 HA TYR 4 -2.061 1.814 1.054
37 HB2 TYR 4 HB2 TYR 4 0.728 1.356 0.165
38 HB3 TYR 4 HB3 TYR 4 -0.469 2.480 -0.375
39 HD1 TYR 4 HD1 TYR 4 -0.771 3.545 2.729
40 HD2 TYR 4 HD2 TYR 4 2.368 3.114 -0.114
41 HE1 TYR 4 HE1 TYR 4 0.407 5.291 3.834
42 HE2 TYR 4 HE2 TYR 4 3.597 4.901 1.022
43 HH TYR 4 HH TYR 4 3.320 5.854 3.838
44 H PHE 5 H PHE 5 -2.753 0.248 -0.302
45 HA PHE 5 HA PHE 5 -1.651 -2.451 0.087
46 HB2 PHE 5 HB2 PHE 5 -3.863 -2.085 1.123
47 HB3 PHE 5 HB3 PHE 5 -4.523 -1.702 -0.440
48 HD1 PHE 5 HD2 PHE 5 -2.307 -4.443 0.828
49 HD2 PHE 5 HD1 PHE 5 -5.835 -3.351 -1.279
50 HE1 PHE 5 HE2 PHE 5 -2.761 -6.802 0.364
51 HE2 PHE 5 HE1 PHE 5 -6.283 -5.705 -1.763
52 HZ PHE 5 HZ PHE 5 -4.743 -7.421 -0.950
53 H ASN 6 H ASN 6 -1.087 -3.570 -1.686
54 HA ASN 6 HA ASN 6 -1.890 -2.435 -4.280
55 HB2 ASN 6 HB2 ASN 6 0.571 -2.643 -3.914
56 HB3 ASN 6 HB3 ASN 6 0.384 -4.337 -3.572
57 HD21 ASN 6 HD21 ASN 6 -0.789 -2.070 -6.073
58 HD22 ASN 6 HD22 ASN 6 -0.384 -3.057 -7.425
59 H ARG 7 H ARG 7 -3.597 -3.389 -5.069
60 HA ARG 7 HA ARG 7 -4.559 -5.916 -4.222
61 HB2 ARG 7 HB2 ARG 7 -6.431 -5.467 -5.507
62 HB3 ARG 7 HB3 ARG 7 -5.814 -3.874 -5.096
63 HG2 ARG 7 HG2 ARG 7 -4.987 -3.488 -7.190
64 HG3 ARG 7 HG3 ARG 7 -5.011 -5.184 -7.634
65 HD2 ARG 7 HD2 ARG 7 -7.497 -5.146 -7.596
66 HD3 ARG 7 HD3 ARG 7 -7.435 -3.406 -7.237
67 HE ARG 7 HE ARG 7 -5.946 -4.081 -9.637
68 HH11 ARG 7 HH11 ARG 7 -9.179 -3.452 -8.396
69 HH12 ARG 7 HH12 ARG 7 -9.794 -2.931 -9.928
70 HH21 ARG 7 HH21 ARG 7 -6.776 -3.393 -11.639
71 HH22 ARG 7 HH22 ARG 7 -8.431 -2.898 -11.769
72 H ILE 8 H ILE 8 -2.422 -4.972 -6.738
73 HA ILE 8 HA ILE 8 -2.901 -7.186 -8.491
74 HB ILE 8 HB ILE 8 -0.546 -5.286 -8.295
75 HG12 ILE 8 HG12 ILE 8 -3.040 -4.610 -9.152
76 HG13 ILE 8 HG13 ILE 8 -1.563 -3.867 -9.732
77 HG21 ILE 8 HG21 ILE 8 0.197 -7.358 -9.296
78 HG22 ILE 8 HG22 ILE 8 0.148 -6.073 -10.501
79 HG23 ILE 8 HG23 ILE 8 -1.123 -7.294 -10.465
80 HD11 ILE 8 HD11 ILE 8 -3.546 -5.294 -11.190
81 HD12 ILE 8 HD12 ILE 8 -2.000 -6.127 -11.354
82 HD13 ILE 8 HD13 ILE 8 -2.133 -4.424 -11.782
83 H THR 9 H THR 9 -0.316 -6.468 -6.135
84 HA THR 9 HA THR 9 0.597 -9.231 -6.356
85 HB THR 9 HB THR 9 2.617 -8.538 -5.292
86 HG1 THR 9 HG1 THR 9 2.828 -6.339 -4.583
87 HG21 THR 9 HG21 THR 9 2.195 -7.862 -7.690
88 HG22 THR 9 HG22 THR 9 3.485 -7.012 -6.831
89 HG23 THR 9 HG23 THR 9 1.914 -6.239 -7.064
90 H GLY 10 H GLY 10 -1.082 -7.167 -4.298
91 HA2 GLY 10 HA2 GLY 10 -2.409 -7.700 -2.472
92 HA3 GLY 10 HA3 GLY 10 -1.663 -9.266 -2.455
93 H LYS 11 H LYS 11 0.604 -6.697 -2.517
94 HA LYS 11 HA LYS 11 1.327 -7.197 0.238
95 HB2 LYS 11 HB2 LYS 11 2.706 -5.899 -2.103
96 HB3 LYS 11 HB3 LYS 11 3.409 -5.970 -0.500
97 HG2 LYS 11 HG2 LYS 11 2.532 -8.450 -1.915
98 HG3 LYS 11 HG3 LYS 11 4.082 -7.702 -2.292
99 HD2 LYS 11 HD2 LYS 11 3.210 -8.550 0.458
100 HD3 LYS 11 HD3 LYS 11 4.226 -9.516 -0.604
101 HE2 LYS 11 HE2 LYS 11 5.960 -8.491 0.359
102 HE3 LYS 11 HE3 LYS 11 5.497 -7.078 -0.586
103 HZ1 LYS 11 HZ1 LYS 11 5.789 -6.608 1.800
104 HZ2 LYS 11 HZ2 LYS 11 4.511 -7.658 2.155
105 HZ3 LYS 11 HZ3 LYS 11 4.227 -6.254 1.256
106 H ARG 12 H ARG 12 2.075 -5.233 1.502
107 HA ARG 12 HA ARG 12 0.959 -2.714 0.928
108 HB2 ARG 12 HB2 ARG 12 -0.738 -2.840 2.677
109 HB3 ARG 12 HB3 ARG 12 -1.032 -3.921 1.356
110 HG2 ARG 12 HG2 ARG 12 -0.186 -5.761 2.733
111 HG3 ARG 12 HG3 ARG 12 0.026 -4.650 4.070
112 HD2 ARG 12 HD2 ARG 12 -2.062 -5.145 4.660
113 HD3 ARG 12 HD3 ARG 12 -2.590 -4.254 3.233
114 HE ARG 12 HE ARG 12 -1.947 -6.868 2.464
115 HH11 ARG 12 HH11 ARG 12 -4.348 -5.173 4.366
116 HH12 ARG 12 HH12 ARG 12 -5.586 -6.349 4.077
117 HH21 ARG 12 HH21 ARG 12 -3.582 -8.414 2.084
118 HH22 ARG 12 HH22 ARG 12 -5.152 -8.189 2.782
119 H GLN 13 H GLN 13 1.708 -1.110 2.382
120 HA GLN 13 HA GLN 13 2.495 -1.656 5.031
121 HB2 GLN 13 HB2 GLN 13 4.795 -0.454 4.141
122 HB3 GLN 13 HB3 GLN 13 4.626 -2.047 4.811
123 HG2 GLN 13 HG2 GLN 13 5.663 -2.608 2.978
124 HG3 GLN 13 HG3 GLN 13 4.068 -2.559 2.278
125 HE21 GLN 13 HE21 GLN 13 3.570 0.053 1.773
126 HE22 GLN 13 HE22 GLN 13 4.793 0.730 0.762
127 H PHE 14 H PHE 14 3.904 0.240 5.777
128 HA PHE 14 HA PHE 14 2.325 2.655 5.322
129 HB2 PHE 14 HB2 PHE 14 3.170 1.725 7.654
130 HB3 PHE 14 HB3 PHE 14 4.700 2.448 7.181
131 HD1 PHE 14 HD1 PHE 14 1.183 3.575 6.850
132 HD2 PHE 14 HD2 PHE 14 5.050 4.358 8.389
133 HE1 PHE 14 HE1 PHE 14 0.398 5.752 7.679
134 HE2 PHE 14 HE2 PHE 14 4.288 6.536 9.228
135 HZ PHE 14 HZ PHE 14 1.959 7.227 8.870
136 H GLU 15 H GLU 15 5.233 1.201 4.308
137 HA GLU 15 HA GLU 15 6.715 3.587 3.728
138 HB2 GLU 15 HB2 GLU 15 7.269 0.935 4.046
139 HB3 GLU 15 HB3 GLU 15 7.419 1.142 2.348
140 HG2 GLU 15 HG2 GLU 15 8.706 3.282 3.678
141 HG3 GLU 15 HG3 GLU 15 9.233 1.764 4.390
142 H ARG 16 H ARG 16 7.740 3.321 1.513
143 HA ARG 16 HA ARG 16 6.076 4.342 -0.451
144 HB2 ARG 16 HB2 ARG 16 8.462 4.586 -0.557
145 HB3 ARG 16 HB3 ARG 16 8.704 2.851 -0.518
146 HG2 ARG 16 HG2 ARG 16 7.458 2.773 -2.689
147 HG3 ARG 16 HG3 ARG 16 7.680 4.519 -2.778
148 HD2 ARG 16 HD2 ARG 16 9.947 2.577 -2.382
149 HD3 ARG 16 HD3 ARG 16 9.414 3.112 -3.975
150 HE ARG 16 HE ARG 16 9.848 5.450 -2.814
151 HH11 ARG 16 HH11 ARG 16 11.820 2.553 -2.755
152 HH12 ARG 16 HH12 ARG 16 13.304 3.422 -2.565
153 HH21 ARG 16 HH21 ARG 16 11.807 6.585 -2.564
154 HH22 ARG 16 HH22 ARG 16 13.298 5.710 -2.457
155 HA PRO 17 HA PRO 17 3.712 0.827 -1.766
156 HB2 PRO 17 HB2 PRO 17 4.547 1.378 -4.562
157 HB3 PRO 17 HB3 PRO 17 2.928 1.209 -3.887
158 HG2 PRO 17 HG2 PRO 17 3.933 3.601 -4.568
159 HG3 PRO 17 HG3 PRO 17 2.844 3.395 -3.184
160 HD2 PRO 17 HD2 PRO 17 5.783 3.842 -3.224
161 HD3 PRO 17 HD3 PRO 17 4.586 4.321 -2.043
162 H LYS 18 H LYS 18 4.228 -1.282 -1.925
163 HA LYS 18 HA LYS 18 6.944 -2.098 -2.019
164 HB2 LYS 18 HB2 LYS 18 4.640 -3.354 -1.157
165 HB3 LYS 18 HB3 LYS 18 4.980 -4.222 -2.641
166 HG2 LYS 18 HG2 LYS 18 6.485 -4.122 -0.089
167 HG3 LYS 18 HG3 LYS 18 6.089 -5.496 -1.119
168 HD2 LYS 18 HD2 LYS 18 7.711 -4.273 -2.803
169 HD3 LYS 18 HD3 LYS 18 8.346 -3.560 -1.319
170 HE2 LYS 18 HE2 LYS 18 8.349 -6.044 -0.490
171 HE3 LYS 18 HE3 LYS 18 8.345 -6.408 -2.215
172 HZ1 LYS 18 HZ1 LYS 18 10.364 -4.798 -0.749
173 HZ2 LYS 18 HZ2 LYS 18 10.337 -4.994 -2.429
174 HZ3 LYS 18 HZ3 LYS 18 10.589 -6.332 -1.426
175 H GLY 19 H GLY 19 7.073 -0.747 -3.994
176 HA2 GLY 19 HA2 GLY 19 8.186 -1.658 -6.109
177 HA3 GLY 19 HA3 GLY 19 6.560 -2.206 -6.476
178 H LEU 20 H LEU 20 6.189 0.803 -4.879
179 HA LEU 20 HA LEU 20 5.440 2.807 -5.732
180 HB2 LEU 20 HB2 LEU 20 8.127 2.289 -6.512
181 HB3 LEU 20 HB3 LEU 20 7.377 3.207 -7.791
182 HG LEU 20 HG LEU 20 7.435 4.148 -4.907
183 HD11 LEU 20 HD11 LEU 20 9.359 5.428 -5.392
184 HD12 LEU 20 HD12 LEU 20 9.316 4.978 -7.097
185 HD13 LEU 20 HD13 LEU 20 9.713 3.769 -5.876
186 HD21 LEU 20 HD21 LEU 20 7.413 6.298 -6.667
187 HD22 LEU 20 HD22 LEU 20 6.045 5.708 -5.727
188 HD23 LEU 20 HD23 LEU 20 6.284 5.152 -7.386
189 H VAL 21 H VAL 21 3.825 1.153 -6.675
190 HA VAL 21 HA VAL 21 3.503 1.647 -9.488
191 HB VAL 21 HB VAL 21 2.318 -0.870 -8.606
192 HG11 VAL 21 HG11 VAL 21 3.108 0.390 -11.056
193 HG12 VAL 21 HG12 VAL 21 2.237 -1.126 -10.827
194 HG13 VAL 21 HG13 VAL 21 4.000 -1.121 -10.880
195 HG21 VAL 21 HG21 VAL 21 4.663 -0.514 -7.613
196 HG22 VAL 21 HG22 VAL 21 5.178 -0.887 -9.245
197 HG23 VAL 21 HG23 VAL 21 4.201 -2.041 -8.341
198 H LYS 22 H LYS 22 1.354 0.526 -10.063
199 HA LYS 22 HA LYS 22 -0.758 2.187 -8.935
200 HB2 LYS 22 HB2 LYS 22 -0.575 0.568 -11.492
201 HB3 LYS 22 HB3 LYS 22 -2.055 1.350 -10.954
202 HG2 LYS 22 HG2 LYS 22 -1.345 3.037 -12.245
203 HG3 LYS 22 HG3 LYS 22 -0.336 3.431 -10.852
204 HD2 LYS 22 HD2 LYS 22 1.454 3.200 -12.154
205 HD3 LYS 22 HD3 LYS 22 1.076 1.483 -12.303
206 HE2 LYS 22 HE2 LYS 22 -0.238 3.535 -14.056
207 HE3 LYS 22 HE3 LYS 22 1.344 2.867 -14.455
208 HZ1 LYS 22 HZ1 LYS 22 -1.153 1.303 -14.070
209 HZ2 LYS 22 HZ2 LYS 22 0.364 0.652 -14.437
210 HZ3 LYS 22 HZ3 LYS 22 -0.420 1.650 -15.555
211 H GLY 23 H GLY 23 -2.991 0.903 -8.886
212 HA2 GLY 23 HA2 GLY 23 -4.119 -1.199 -8.234
213 HA3 GLY 23 HA3 GLY 23 -2.529 -1.905 -8.015
214 H TRP 24 H TRP 24 -1.446 0.273 -6.579
215 HA TRP 24 HA TRP 24 -1.841 -0.409 -3.956
216 HB2 TRP 24 HB2 TRP 24 -0.585 1.918 -5.409
217 HB3 TRP 24 HB3 TRP 24 -0.480 1.748 -3.679
218 HD1 TRP 24 HD1 TRP 24 1.291 0.685 -6.763
219 HE1 TRP 24 HE1 TRP 24 3.044 -1.041 -6.187
220 HE3 TRP 24 HE3 TRP 24 -0.199 -0.438 -2.021
221 HZ2 TRP 24 HZ2 TRP 24 3.711 -2.745 -4.069
222 HZ3 TRP 24 HZ3 TRP 24 1.017 -2.223 -0.843
223 HH2 TRP 24 HH2 TRP 24 2.948 -3.281 -1.806
224 H GLU 25 H GLU 25 -3.131 0.425 -2.292
225 HA GLU 25 HA GLU 25 -4.557 2.940 -2.724
226 HB2 GLU 25 HB2 GLU 25 -5.920 0.273 -2.682
227 HB3 GLU 25 HB3 GLU 25 -6.699 1.618 -1.864
228 HG2 GLU 25 HG2 GLU 25 -7.610 2.067 -3.838
229 HG3 GLU 25 HG3 GLU 25 -6.035 2.733 -4.264
230 H LYS 26 H LYS 26 -4.231 4.057 -0.898
231 HA LYS 26 HA LYS 26 -3.407 2.744 1.472
232 HB2 LYS 26 HB2 LYS 26 -2.568 5.084 1.120
233 HB3 LYS 26 HB3 LYS 26 -4.198 5.653 0.919
234 HG2 LYS 26 HG2 LYS 26 -4.681 5.411 3.269
235 HG3 LYS 26 HG3 LYS 26 -3.093 4.686 3.554
236 HD2 LYS 26 HD2 LYS 26 -2.029 6.665 3.495
237 HD3 LYS 26 HD3 LYS 26 -3.043 7.278 2.178
238 HE2 LYS 26 HE2 LYS 26 -4.865 7.762 3.731
239 HE3 LYS 26 HE3 LYS 26 -3.935 7.044 5.054
240 HZ1 LYS 26 HZ1 LYS 26 -2.274 8.782 4.787
241 HZ2 LYS 26 HZ2 LYS 26 -3.798 9.447 5.096
242 HZ3 LYS 26 HZ3 LYS 26 -3.168 9.472 3.526
243 H ARG 27 H ARG 27 -4.562 1.873 3.051
244 HA ARG 27 HA ARG 27 -7.408 2.580 3.295
245 HB2 ARG 27 HB2 ARG 27 -6.484 0.186 2.462
246 HB3 ARG 27 HB3 ARG 27 -6.546 -0.161 4.152
247 HG2 ARG 27 HG2 ARG 27 -8.604 -0.085 2.124
248 HG3 ARG 27 HG3 ARG 27 -8.669 -0.739 3.743
249 HD2 ARG 27 HD2 ARG 27 -9.780 1.050 4.552
250 HD3 ARG 27 HD3 ARG 27 -8.865 2.193 3.579
251 HE ARG 27 HE ARG 27 -11.380 0.986 2.926
252 HH11 ARG 27 HH11 ARG 27 -8.497 2.453 1.579
253 HH12 ARG 27 HH12 ARG 27 -9.273 2.913 0.103
254 HH21 ARG 27 HH21 ARG 27 -12.394 1.595 0.977
255 HH22 ARG 27 HH22 ARG 27 -11.485 2.428 -0.239
256 H TRP 28 H TRP 28 -8.240 1.705 5.432
257 HA TRP 28 HA TRP 28 -6.676 2.893 7.563
258 HB2 TRP 28 HB2 TRP 28 -9.141 3.338 7.247
259 HB3 TRP 28 HB3 TRP 28 -9.439 1.676 7.723
260 HD1 TRP 28 HD1 TRP 28 -10.530 1.891 9.998
261 HE1 TRP 28 HE1 TRP 28 -9.950 3.007 12.227
262 HE3 TRP 28 HE3 TRP 28 -6.397 4.498 8.527
263 HZ2 TRP 28 HZ2 TRP 28 -7.992 4.778 13.241
264 HZ3 TRP 28 HZ3 TRP 28 -5.229 5.886 10.188
265 HH2 TRP 28 HH2 TRP 28 -6.011 6.023 12.495
266 H ASP 29 H ASP 29 -6.147 1.850 9.519
267 HA ASP 29 HA ASP 29 -6.127 -1.098 9.405
268 HB2 ASP 29 HB2 ASP 29 -3.872 0.144 9.105
269 HB3 ASP 29 HB3 ASP 29 -3.987 0.485 10.815
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 -4.247 3.588 12.653
2 H2 ARG 1 H2 ARG 1 -3.611 2.167 13.372
3 H3 ARG 1 H3 ARG 1 -4.654 2.051 12.014
4 HA ARG 1 HA ARG 1 -2.137 3.534 11.866
5 HB2 ARG 1 HB2 ARG 1 -2.334 0.805 12.532
6 HB3 ARG 1 HB3 ARG 1 -2.038 0.812 10.805
7 HG2 ARG 1 HG2 ARG 1 -0.034 2.280 11.266
8 HG3 ARG 1 HG3 ARG 1 -0.278 1.934 12.978
9 HD2 ARG 1 HD2 ARG 1 0.254 -0.291 12.745
10 HD3 ARG 1 HD3 ARG 1 -0.154 -0.322 11.032
11 HE ARG 1 HE ARG 1 2.346 0.614 12.223
12 HH11 ARG 1 HH11 ARG 1 0.432 0.106 9.329
13 HH12 ARG 1 HH12 ARG 1 1.796 0.197 8.268
14 HH21 ARG 1 HH21 ARG 1 4.131 0.736 10.818
15 HH22 ARG 1 HH22 ARG 1 3.896 0.553 9.113
16 H TRP 2 H TRP 2 -1.449 3.794 9.727
17 HA TRP 2 HA TRP 2 -3.551 3.455 7.693
18 HB2 TRP 2 HB2 TRP 2 -1.561 5.645 8.213
19 HB3 TRP 2 HB3 TRP 2 -2.273 5.458 6.654
20 HD1 TRP 2 HD1 TRP 2 -2.873 6.984 9.916
21 HE1 TRP 2 HE1 TRP 2 -5.230 8.045 9.997
22 HE3 TRP 2 HE3 TRP 2 -4.705 4.960 5.706
23 HZ2 TRP 2 HZ2 TRP 2 -7.589 7.997 8.395
24 HZ3 TRP 2 HZ3 TRP 2 -7.006 5.481 4.985
25 HH2 TRP 2 HH2 TRP 2 -8.423 6.976 6.314
26 H PHE 3 H PHE 3 -2.729 3.170 5.443
27 HA PHE 3 HA PHE 3 -0.118 2.776 4.704
28 HB2 PHE 3 HB2 PHE 3 0.213 0.374 4.695
29 HB3 PHE 3 HB3 PHE 3 0.031 1.038 6.294
30 HD1 PHE 3 HD1 PHE 3 -1.687 -0.719 3.598
31 HD2 PHE 3 HD2 PHE 3 -1.647 0.115 7.756
32 HE1 PHE 3 HE1 PHE 3 -3.406 -2.435 3.941
33 HE2 PHE 3 HE2 PHE 3 -3.357 -1.601 8.124
34 HZ PHE 3 HZ PHE 3 -4.271 -2.861 6.199
35 H TYR 4 H TYR 4 0.210 1.420 2.734
36 HA TYR 4 HA TYR 4 -2.077 1.843 1.005
37 HB2 TYR 4 HB2 TYR 4 0.677 1.443 -0.023
38 HB3 TYR 4 HB3 TYR 4 -0.560 2.560 -0.483
39 HD1 TYR 4 HD2 TYR 4 -0.705 3.516 2.690
40 HD2 TYR 4 HD1 TYR 4 2.255 3.271 -0.365
41 HE1 TYR 4 HE2 TYR 4 0.491 5.254 3.767
42 HE2 TYR 4 HE1 TYR 4 3.494 5.064 0.750
43 HH TYR 4 HH TYR 4 3.391 5.918 3.587
44 H PHE 5 H PHE 5 -2.839 0.286 -0.316
45 HA PHE 5 HA PHE 5 -1.712 -2.409 0.025
46 HB2 PHE 5 HB2 PHE 5 -3.942 -1.997 1.028
47 HB3 PHE 5 HB3 PHE 5 -4.571 -1.664 -0.562
48 HD1 PHE 5 HD2 PHE 5 -2.413 -4.354 0.893
49 HD2 PHE 5 HD1 PHE 5 -5.825 -3.337 -1.426
50 HE1 PHE 5 HE2 PHE 5 -2.860 -6.733 0.507
51 HE2 PHE 5 HE1 PHE 5 -6.266 -5.704 -1.838
52 HZ PHE 5 HZ PHE 5 -4.786 -7.398 -0.864
53 H ASN 6 H ASN 6 -1.108 -3.524 -1.733
54 HA ASN 6 HA ASN 6 -1.880 -2.410 -4.344
55 HB2 ASN 6 HB2 ASN 6 0.579 -2.611 -3.976
56 HB3 ASN 6 HB3 ASN 6 0.393 -4.296 -3.581
57 HD21 ASN 6 HD21 ASN 6 -0.759 -2.108 -6.160
58 HD22 ASN 6 HD22 ASN 6 -0.357 -3.142 -7.476
59 H ARG 7 H ARG 7 -3.818 -3.338 -4.780
60 HA ARG 7 HA ARG 7 -4.623 -5.886 -4.076
61 HB2 ARG 7 HB2 ARG 7 -5.418 -3.497 -5.391
62 HB3 ARG 7 HB3 ARG 7 -5.966 -4.845 -6.293
63 HG2 ARG 7 HG2 ARG 7 -6.550 -4.600 -3.361
64 HG3 ARG 7 HG3 ARG 7 -7.460 -3.737 -4.578
65 HD2 ARG 7 HD2 ARG 7 -8.089 -5.823 -5.687
66 HD3 ARG 7 HD3 ARG 7 -7.100 -6.736 -4.529
67 HE ARG 7 HE ARG 7 -9.139 -5.110 -3.227
68 HH11 ARG 7 HH11 ARG 7 -8.535 -8.184 -4.832
69 HH12 ARG 7 HH12 ARG 7 -9.845 -8.989 -4.039
70 HH21 ARG 7 HH21 ARG 7 -10.854 -6.190 -2.199
71 HH22 ARG 7 HH22 ARG 7 -11.163 -7.858 -2.545
72 H ILE 8 H ILE 8 -2.262 -5.137 -6.352
73 HA ILE 8 HA ILE 8 -3.065 -7.127 -8.314
74 HB ILE 8 HB ILE 8 -0.537 -5.462 -8.099
75 HG12 ILE 8 HG12 ILE 8 -2.973 -4.458 -8.722
76 HG13 ILE 8 HG13 ILE 8 -1.465 -3.828 -9.356
77 HG21 ILE 8 HG21 ILE 8 -0.019 -6.138 -10.372
78 HG22 ILE 8 HG22 ILE 8 -1.443 -7.175 -10.406
79 HG23 ILE 8 HG23 ILE 8 -0.116 -7.534 -9.299
80 HD11 ILE 8 HD11 ILE 8 -2.198 -5.849 -11.136
81 HD12 ILE 8 HD12 ILE 8 -2.297 -4.108 -11.380
82 HD13 ILE 8 HD13 ILE 8 -3.689 -4.987 -10.753
83 H THR 9 H THR 9 -0.346 -6.608 -6.064
84 HA THR 9 HA THR 9 0.356 -9.429 -6.280
85 HB THR 9 HB THR 9 2.459 -8.869 -5.294
86 HG1 THR 9 HG1 THR 9 2.865 -6.776 -4.519
87 HG21 THR 9 HG21 THR 9 1.809 -8.026 -7.697
88 HG22 THR 9 HG22 THR 9 3.372 -7.642 -6.969
89 HG23 THR 9 HG23 THR 9 2.069 -6.451 -6.949
90 H GLY 10 H GLY 10 -1.062 -7.206 -4.177
91 HA2 GLY 10 HA2 GLY 10 -2.425 -7.688 -2.345
92 HA3 GLY 10 HA3 GLY 10 -1.683 -9.254 -2.272
93 H LYS 11 H LYS 11 0.583 -6.677 -2.475
94 HA LYS 11 HA LYS 11 1.327 -7.090 0.297
95 HB2 LYS 11 HB2 LYS 11 2.695 -5.880 -2.093
96 HB3 LYS 11 HB3 LYS 11 3.401 -5.893 -0.488
97 HG2 LYS 11 HG2 LYS 11 2.518 -8.389 -1.883
98 HG3 LYS 11 HG3 LYS 11 4.113 -7.693 -2.132
99 HD2 LYS 11 HD2 LYS 11 2.933 -8.866 0.360
100 HD3 LYS 11 HD3 LYS 11 4.425 -9.311 -0.465
101 HE2 LYS 11 HE2 LYS 11 5.151 -6.876 0.120
102 HE3 LYS 11 HE3 LYS 11 3.871 -6.982 1.328
103 HZ1 LYS 11 HZ1 LYS 11 5.826 -7.664 2.397
104 HZ2 LYS 11 HZ2 LYS 11 6.311 -8.644 1.106
105 HZ3 LYS 11 HZ3 LYS 11 4.996 -9.101 2.067
106 H ARG 12 H ARG 12 1.922 -5.174 1.601
107 HA ARG 12 HA ARG 12 0.874 -2.640 0.894
108 HB2 ARG 12 HB2 ARG 12 -0.845 -2.676 2.583
109 HB3 ARG 12 HB3 ARG 12 -1.107 -3.920 1.408
110 HG2 ARG 12 HG2 ARG 12 0.012 -4.302 4.167
111 HG3 ARG 12 HG3 ARG 12 -1.640 -4.623 3.679
112 HD2 ARG 12 HD2 ARG 12 -0.983 -6.709 3.281
113 HD3 ARG 12 HD3 ARG 12 -0.188 -6.064 1.848
114 HE ARG 12 HE ARG 12 1.521 -5.802 4.078
115 HH11 ARG 12 HH11 ARG 12 0.218 -8.250 1.939
116 HH12 ARG 12 HH12 ARG 12 1.567 -9.316 2.139
117 HH21 ARG 12 HH21 ARG 12 3.295 -7.210 4.335
118 HH22 ARG 12 HH22 ARG 12 3.313 -8.727 3.500
119 H GLN 13 H GLN 13 1.627 -0.974 2.328
120 HA GLN 13 HA GLN 13 2.612 -1.572 4.921
121 HB2 GLN 13 HB2 GLN 13 4.791 -0.325 4.200
122 HB3 GLN 13 HB3 GLN 13 4.689 -2.059 4.245
123 HG2 GLN 13 HG2 GLN 13 5.736 -0.649 2.243
124 HG3 GLN 13 HG3 GLN 13 5.016 -2.198 2.074
125 HE21 GLN 13 HE21 GLN 13 3.927 1.164 2.008
126 HE22 GLN 13 HE22 GLN 13 2.870 0.952 0.675
127 H PHE 14 H PHE 14 3.751 0.325 5.860
128 HA PHE 14 HA PHE 14 2.135 2.718 5.529
129 HB2 PHE 14 HB2 PHE 14 3.013 1.700 7.801
130 HB3 PHE 14 HB3 PHE 14 4.557 2.400 7.334
131 HD1 PHE 14 HD1 PHE 14 1.100 3.713 7.060
132 HD2 PHE 14 HD2 PHE 14 4.956 4.151 8.750
133 HE1 PHE 14 HE1 PHE 14 0.392 5.821 8.086
134 HE2 PHE 14 HE2 PHE 14 4.271 6.272 9.782
135 HZ PHE 14 HZ PHE 14 1.985 7.104 9.445
136 H GLU 15 H GLU 15 5.209 1.410 4.617
137 HA GLU 15 HA GLU 15 6.561 3.842 3.973
138 HB2 GLU 15 HB2 GLU 15 7.186 1.201 4.280
139 HB3 GLU 15 HB3 GLU 15 7.334 1.418 2.590
140 HG2 GLU 15 HG2 GLU 15 8.581 3.581 3.952
141 HG3 GLU 15 HG3 GLU 15 9.157 2.057 4.615
142 H ARG 16 H ARG 16 7.595 3.572 1.753
143 HA ARG 16 HA ARG 16 5.927 4.541 -0.240
144 HB2 ARG 16 HB2 ARG 16 8.299 4.856 -0.314
145 HB3 ARG 16 HB3 ARG 16 8.604 3.136 -0.206
146 HG2 ARG 16 HG2 ARG 16 7.391 2.986 -2.430
147 HG3 ARG 16 HG3 ARG 16 7.680 4.719 -2.558
148 HD2 ARG 16 HD2 ARG 16 9.588 3.994 -3.557
149 HD3 ARG 16 HD3 ARG 16 10.138 3.928 -1.884
150 HE ARG 16 HE ARG 16 8.942 1.472 -2.645
151 HH11 ARG 16 HH11 ARG 16 11.871 3.345 -3.062
152 HH12 ARG 16 HH12 ARG 16 12.867 1.955 -3.333
153 HH21 ARG 16 HH21 ARG 16 10.258 -0.355 -3.003
154 HH22 ARG 16 HH22 ARG 16 11.951 -0.146 -3.301
155 HA PRO 17 HA PRO 17 3.696 1.055 -1.815
156 HB2 PRO 17 HB2 PRO 17 4.397 1.115 -4.504
157 HB3 PRO 17 HB3 PRO 17 3.069 2.014 -3.771
158 HG2 PRO 17 HG2 PRO 17 5.837 2.922 -4.412
159 HG3 PRO 17 HG3 PRO 17 4.307 3.797 -4.589
160 HD2 PRO 17 HD2 PRO 17 5.944 4.331 -2.570
161 HD3 PRO 17 HD3 PRO 17 4.209 4.256 -2.326
162 H LYS 18 H LYS 18 4.134 -1.062 -1.889
163 HA LYS 18 HA LYS 18 6.865 -1.944 -1.803
164 HB2 LYS 18 HB2 LYS 18 4.456 -3.101 -0.944
165 HB3 LYS 18 HB3 LYS 18 4.973 -4.127 -2.264
166 HG2 LYS 18 HG2 LYS 18 6.230 -3.644 0.385
167 HG3 LYS 18 HG3 LYS 18 5.946 -5.155 -0.475
168 HD2 LYS 18 HD2 LYS 18 8.124 -5.098 -0.978
169 HD3 LYS 18 HD3 LYS 18 7.701 -3.836 -2.134
170 HE2 LYS 18 HE2 LYS 18 8.384 -2.129 -0.709
171 HE3 LYS 18 HE3 LYS 18 8.272 -3.149 0.724
172 HZ1 LYS 18 HZ1 LYS 18 10.207 -4.369 -0.018
173 HZ2 LYS 18 HZ2 LYS 18 10.570 -2.721 0.083
174 HZ3 LYS 18 HZ3 LYS 18 10.302 -3.435 -1.426
175 H GLY 19 H GLY 19 6.831 -0.674 -3.962
176 HA2 GLY 19 HA2 GLY 19 7.962 -1.937 -5.961
177 HA3 GLY 19 HA3 GLY 19 6.285 -2.341 -6.273
178 H LEU 20 H LEU 20 6.076 0.785 -5.014
179 HA LEU 20 HA LEU 20 5.594 2.776 -6.070
180 HB2 LEU 20 HB2 LEU 20 8.214 1.899 -6.783
181 HB3 LEU 20 HB3 LEU 20 7.558 2.815 -8.114
182 HG LEU 20 HG LEU 20 7.719 3.928 -5.296
183 HD11 LEU 20 HD11 LEU 20 9.742 4.156 -7.512
184 HD12 LEU 20 HD12 LEU 20 9.951 3.293 -5.989
185 HD13 LEU 20 HD13 LEU 20 9.767 5.047 -5.990
186 HD21 LEU 20 HD21 LEU 20 7.989 5.941 -7.189
187 HD22 LEU 20 HD22 LEU 20 6.541 5.583 -6.252
188 HD23 LEU 20 HD23 LEU 20 6.743 4.894 -7.865
189 H VAL 21 H VAL 21 3.831 1.205 -6.844
190 HA VAL 21 HA VAL 21 3.504 1.507 -9.674
191 HB VAL 21 HB VAL 21 2.307 -0.954 -8.667
192 HG11 VAL 21 HG11 VAL 21 3.091 0.183 -11.181
193 HG12 VAL 21 HG12 VAL 21 2.201 -1.308 -10.874
194 HG13 VAL 21 HG13 VAL 21 3.963 -1.331 -10.942
195 HG21 VAL 21 HG21 VAL 21 4.185 -2.132 -8.370
196 HG22 VAL 21 HG22 VAL 21 4.650 -0.574 -7.701
197 HG23 VAL 21 HG23 VAL 21 5.165 -1.020 -9.316
198 H LYS 22 H LYS 22 1.336 0.394 -10.166
199 HA LYS 22 HA LYS 22 -0.739 2.105 -9.035
200 HB2 LYS 22 HB2 LYS 22 -0.530 0.513 -11.594
201 HB3 LYS 22 HB3 LYS 22 -2.075 1.124 -11.022
202 HG2 LYS 22 HG2 LYS 22 -1.359 3.376 -11.226
203 HG3 LYS 22 HG3 LYS 22 0.314 2.886 -11.500
204 HD2 LYS 22 HD2 LYS 22 -0.471 1.724 -13.584
205 HD3 LYS 22 HD3 LYS 22 -2.045 2.483 -13.333
206 HE2 LYS 22 HE2 LYS 22 -1.046 3.977 -14.771
207 HE3 LYS 22 HE3 LYS 22 -0.646 4.683 -13.206
208 HZ1 LYS 22 HZ1 LYS 22 1.527 3.624 -13.329
209 HZ2 LYS 22 HZ2 LYS 22 1.275 4.631 -14.664
210 HZ3 LYS 22 HZ3 LYS 22 1.141 2.954 -14.834
211 H GLY 23 H GLY 23 -2.993 0.810 -8.973
212 HA2 GLY 23 HA2 GLY 23 -4.108 -1.273 -8.249
213 HA3 GLY 23 HA3 GLY 23 -2.515 -1.971 -8.034
214 H TRP 24 H TRP 24 -1.443 0.267 -6.651
215 HA TRP 24 HA TRP 24 -1.816 -0.390 -4.011
216 HB2 TRP 24 HB2 TRP 24 -0.574 1.922 -5.502
217 HB3 TRP 24 HB3 TRP 24 -0.464 1.778 -3.769
218 HD1 TRP 24 HD1 TRP 24 1.313 0.689 -6.835
219 HE1 TRP 24 HE1 TRP 24 3.070 -1.022 -6.241
220 HE3 TRP 24 HE3 TRP 24 -0.194 -0.404 -2.091
221 HZ2 TRP 24 HZ2 TRP 24 3.739 -2.707 -4.105
222 HZ3 TRP 24 HZ3 TRP 24 1.030 -2.170 -0.892
223 HH2 TRP 24 HH2 TRP 24 2.968 -3.232 -1.844
224 H GLU 25 H GLU 25 -3.103 0.465 -2.357
225 HA GLU 25 HA GLU 25 -4.531 2.964 -2.815
226 HB2 GLU 25 HB2 GLU 25 -5.893 0.298 -2.788
227 HB3 GLU 25 HB3 GLU 25 -6.692 1.653 -2.006
228 HG2 GLU 25 HG2 GLU 25 -7.536 2.126 -3.998
229 HG3 GLU 25 HG3 GLU 25 -5.930 2.713 -4.421
230 H LYS 26 H LYS 26 -4.033 4.041 -1.023
231 HA LYS 26 HA LYS 26 -3.320 2.854 1.424
232 HB2 LYS 26 HB2 LYS 26 -2.559 5.180 1.209
233 HB3 LYS 26 HB3 LYS 26 -4.129 5.685 0.675
234 HG2 LYS 26 HG2 LYS 26 -4.167 6.559 2.721
235 HG3 LYS 26 HG3 LYS 26 -4.880 5.011 3.060
236 HD2 LYS 26 HD2 LYS 26 -3.311 5.098 4.736
237 HD3 LYS 26 HD3 LYS 26 -2.347 4.343 3.455
238 HE2 LYS 26 HE2 LYS 26 -1.252 6.379 2.899
239 HE3 LYS 26 HE3 LYS 26 -2.446 7.332 3.791
240 HZ1 LYS 26 HZ1 LYS 26 -0.092 6.812 4.786
241 HZ2 LYS 26 HZ2 LYS 26 -0.854 5.392 5.299
242 HZ3 LYS 26 HZ3 LYS 26 -1.461 6.899 5.775
243 H ARG 27 H ARG 27 -4.403 2.075 3.083
244 HA ARG 27 HA ARG 27 -7.324 2.444 3.137
245 HB2 ARG 27 HB2 ARG 27 -6.031 0.072 2.754
246 HB3 ARG 27 HB3 ARG 27 -6.217 0.005 4.466
247 HG2 ARG 27 HG2 ARG 27 -8.074 -0.511 2.310
248 HG3 ARG 27 HG3 ARG 27 -8.208 -0.899 4.010
249 HD2 ARG 27 HD2 ARG 27 -9.601 0.820 4.415
250 HD3 ARG 27 HD3 ARG 27 -8.723 1.919 3.362
251 HE ARG 27 HE ARG 27 -11.011 0.341 2.688
252 HH11 ARG 27 HH11 ARG 27 -8.158 1.894 1.372
253 HH12 ARG 27 HH12 ARG 27 -8.818 2.029 -0.221
254 HH21 ARG 27 HH21 ARG 27 -11.872 0.526 0.586
255 HH22 ARG 27 HH22 ARG 27 -10.926 1.255 -0.668
256 H TRP 28 H TRP 28 -8.199 1.851 5.292
257 HA TRP 28 HA TRP 28 -6.612 3.125 7.419
258 HB2 TRP 28 HB2 TRP 28 -8.642 4.347 6.924
259 HB3 TRP 28 HB3 TRP 28 -9.614 2.900 7.102
260 HD1 TRP 28 HD1 TRP 28 -11.051 3.472 9.138
261 HE1 TRP 28 HE1 TRP 28 -10.601 4.138 11.568
262 HE3 TRP 28 HE3 TRP 28 -6.011 4.205 8.838
263 HZ2 TRP 28 HZ2 TRP 28 -8.388 4.888 13.165
264 HZ3 TRP 28 HZ3 TRP 28 -4.800 4.901 10.860
265 HH2 TRP 28 HH2 TRP 28 -5.963 5.235 12.978
266 H ASP 29 H ASP 29 -5.608 1.516 8.429
267 HA ASP 29 HA ASP 29 -7.210 -0.411 9.878
268 HB2 ASP 29 HB2 ASP 29 -5.918 -1.116 7.406
269 HB3 ASP 29 HB3 ASP 29 -5.184 -2.018 8.733
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 -5.607 -0.716 12.525
2 H2 ARG 1 H2 ARG 1 -7.069 -0.414 11.680
3 H3 ARG 1 H3 ARG 1 -6.633 0.565 13.020
4 HA ARG 1 HA ARG 1 -6.277 1.705 10.959
5 HB2 ARG 1 HB2 ARG 1 -4.754 2.088 12.966
6 HB3 ARG 1 HB3 ARG 1 -3.719 0.795 12.389
7 HG2 ARG 1 HG2 ARG 1 -3.345 2.162 10.301
8 HG3 ARG 1 HG3 ARG 1 -4.147 3.492 11.144
9 HD2 ARG 1 HD2 ARG 1 -1.919 2.066 12.511
10 HD3 ARG 1 HD3 ARG 1 -1.531 3.194 11.214
11 HE ARG 1 HE ARG 1 -2.332 4.957 12.521
12 HH11 ARG 1 HH11 ARG 1 -2.682 1.896 14.196
13 HH12 ARG 1 HH12 ARG 1 -2.947 2.635 15.737
14 HH21 ARG 1 HH21 ARG 1 -2.681 5.916 14.557
15 HH22 ARG 1 HH22 ARG 1 -2.948 4.913 15.943
16 H TRP 2 H TRP 2 -5.807 1.537 8.857
17 HA TRP 2 HA TRP 2 -4.343 -0.713 7.872
18 HB2 TRP 2 HB2 TRP 2 -6.222 -0.272 5.978
19 HB3 TRP 2 HB3 TRP 2 -6.339 -1.365 7.199
20 HD1 TRP 2 HD1 TRP 2 -8.337 -1.197 8.620
21 HE1 TRP 2 HE1 TRP 2 -10.304 0.444 8.889
22 HE3 TRP 2 HE3 TRP 2 -6.531 2.391 5.718
23 HZ2 TRP 2 HZ2 TRP 2 -10.903 3.106 7.980
24 HZ3 TRP 2 HZ3 TRP 2 -7.700 4.477 5.503
25 HH2 TRP 2 HH2 TRP 2 -9.897 4.856 6.556
26 H PHE 3 H PHE 3 -3.576 -0.190 5.333
27 HA PHE 3 HA PHE 3 -2.153 2.397 5.103
28 HB2 PHE 3 HB2 PHE 3 -0.157 0.452 4.536
29 HB3 PHE 3 HB3 PHE 3 -0.260 1.448 6.000
30 HD1 PHE 3 HD1 PHE 3 -1.129 -1.708 4.451
31 HD2 PHE 3 HD2 PHE 3 -1.267 0.655 7.915
32 HE1 PHE 3 HE1 PHE 3 -2.398 -3.466 5.562
33 HE2 PHE 3 HE2 PHE 3 -2.500 -0.987 9.076
34 HZ PHE 3 HZ PHE 3 -3.216 -3.019 7.834
35 H TYR 4 H TYR 4 -0.424 1.906 2.979
36 HA TYR 4 HA TYR 4 -2.208 1.704 0.785
37 HB2 TYR 4 HB2 TYR 4 0.746 1.328 0.517
38 HB3 TYR 4 HB3 TYR 4 -0.383 2.099 -0.533
39 HD1 TYR 4 HD1 TYR 4 -1.261 4.299 -0.113
40 HD2 TYR 4 HD2 TYR 4 1.730 2.560 2.336
41 HE1 TYR 4 HE1 TYR 4 -0.896 6.477 0.931
42 HE2 TYR 4 HE2 TYR 4 2.156 4.717 3.372
43 HH TYR 4 HH TYR 4 1.600 7.431 2.320
44 H PHE 5 H PHE 5 -3.037 0.031 -0.120
45 HA PHE 5 HA PHE 5 -1.722 -2.588 0.104
46 HB2 PHE 5 HB2 PHE 5 -3.964 -2.401 1.208
47 HB3 PHE 5 HB3 PHE 5 -4.668 -2.080 -0.354
48 HD1 PHE 5 HD1 PHE 5 -2.211 -4.611 0.924
49 HD2 PHE 5 HD2 PHE 5 -5.809 -3.853 -1.210
50 HE1 PHE 5 HE1 PHE 5 -2.418 -6.999 0.423
51 HE2 PHE 5 HE2 PHE 5 -6.024 -6.238 -1.703
52 HZ PHE 5 HZ PHE 5 -4.325 -7.800 -0.891
53 H ASN 6 H ASN 6 -0.921 -3.362 -1.758
54 HA ASN 6 HA ASN 6 -1.938 -2.146 -4.225
55 HB2 ASN 6 HB2 ASN 6 0.545 -2.008 -3.668
56 HB3 ASN 6 HB3 ASN 6 0.602 -3.745 -3.778
57 HD21 ASN 6 HD21 ASN 6 -0.382 -0.860 -5.690
58 HD22 ASN 6 HD22 ASN 6 0.066 -1.521 -7.212
59 H ARG 7 H ARG 7 -3.776 -3.340 -4.296
60 HA ARG 7 HA ARG 7 -4.307 -5.956 -3.945
61 HB2 ARG 7 HB2 ARG 7 -6.252 -5.658 -5.255
62 HB3 ARG 7 HB3 ARG 7 -5.878 -4.127 -4.482
63 HG2 ARG 7 HG2 ARG 7 -5.153 -3.151 -6.417
64 HG3 ARG 7 HG3 ARG 7 -4.924 -4.686 -7.233
65 HD2 ARG 7 HD2 ARG 7 -7.390 -5.036 -7.223
66 HD3 ARG 7 HD3 ARG 7 -7.579 -3.425 -6.496
67 HE ARG 7 HE ARG 7 -6.045 -3.341 -8.960
68 HH11 ARG 7 HH11 ARG 7 -9.314 -3.470 -7.663
69 HH12 ARG 7 HH12 ARG 7 -10.023 -2.730 -9.058
70 HH21 ARG 7 HH21 ARG 7 -6.999 -2.369 -10.780
71 HH22 ARG 7 HH22 ARG 7 -8.710 -2.105 -10.828
72 H ILE 8 H ILE 8 -2.768 -4.609 -6.776
73 HA ILE 8 HA ILE 8 -3.138 -6.860 -8.470
74 HB ILE 8 HB ILE 8 -1.054 -4.660 -8.538
75 HG12 ILE 8 HG12 ILE 8 -3.682 -4.359 -9.129
76 HG13 ILE 8 HG13 ILE 8 -2.402 -3.458 -9.910
77 HG21 ILE 8 HG21 ILE 8 -0.067 -6.559 -9.609
78 HG22 ILE 8 HG22 ILE 8 -0.529 -5.385 -10.840
79 HG23 ILE 8 HG23 ILE 8 -1.515 -6.823 -10.581
80 HD11 ILE 8 HD11 ILE 8 -3.178 -4.154 -11.846
81 HD12 ILE 8 HD12 ILE 8 -4.313 -5.248 -11.061
82 HD13 ILE 8 HD13 ILE 8 -2.675 -5.790 -11.428
83 H THR 9 H THR 9 -0.475 -5.939 -6.329
84 HA THR 9 HA THR 9 0.783 -8.540 -6.805
85 HB THR 9 HB THR 9 2.765 -7.591 -5.848
86 HG1 THR 9 HG1 THR 9 2.655 -5.323 -5.185
87 HG21 THR 9 HG21 THR 9 2.129 -6.983 -8.192
88 HG22 THR 9 HG22 THR 9 3.264 -5.890 -7.397
89 HG23 THR 9 HG23 THR 9 1.561 -5.445 -7.544
90 H GLY 10 H GLY 10 -1.115 -6.939 -4.606
91 HA2 GLY 10 HA2 GLY 10 -2.113 -7.632 -2.637
92 HA3 GLY 10 HA3 GLY 10 -1.169 -9.089 -2.754
93 H LYS 11 H LYS 11 0.745 -6.270 -2.994
94 HA LYS 11 HA LYS 11 1.963 -6.770 -0.442
95 HB2 LYS 11 HB2 LYS 11 2.524 -4.689 -2.561
96 HB3 LYS 11 HB3 LYS 11 3.534 -5.035 -1.175
97 HG2 LYS 11 HG2 LYS 11 2.894 -7.248 -3.047
98 HG3 LYS 11 HG3 LYS 11 4.077 -6.034 -3.534
99 HD2 LYS 11 HD2 LYS 11 4.238 -7.472 -0.900
100 HD3 LYS 11 HD3 LYS 11 4.966 -8.117 -2.371
101 HE2 LYS 11 HE2 LYS 11 6.331 -6.122 -2.601
102 HE3 LYS 11 HE3 LYS 11 5.562 -5.408 -1.185
103 HZ1 LYS 11 HZ1 LYS 11 7.124 -7.931 -1.127
104 HZ2 LYS 11 HZ2 LYS 11 6.522 -7.076 0.202
105 HZ3 LYS 11 HZ3 LYS 11 7.761 -6.413 -0.737
106 H ARG 12 H ARG 12 2.432 -4.893 0.998
107 HA ARG 12 HA ARG 12 0.711 -2.676 0.936
108 HB2 ARG 12 HB2 ARG 12 -0.661 -3.222 2.754
109 HB3 ARG 12 HB3 ARG 12 -0.693 -4.641 1.765
110 HG2 ARG 12 HG2 ARG 12 -0.065 -5.860 3.488
111 HG3 ARG 12 HG3 ARG 12 1.369 -4.882 3.713
112 HD2 ARG 12 HD2 ARG 12 0.456 -3.639 5.336
113 HD3 ARG 12 HD3 ARG 12 -1.163 -3.758 4.649
114 HE ARG 12 HE ARG 12 -0.893 -6.241 5.511
115 HH11 ARG 12 HH11 ARG 12 0.189 -3.320 7.141
116 HH12 ARG 12 HH12 ARG 12 -0.001 -3.995 8.722
117 HH21 ARG 12 HH21 ARG 12 -1.133 -7.107 7.596
118 HH22 ARG 12 HH22 ARG 12 -0.749 -6.142 8.982
119 H GLN 13 H GLN 13 1.563 -1.021 2.133
120 HA GLN 13 HA GLN 13 3.689 -1.651 4.036
121 HB2 GLN 13 HB2 GLN 13 3.939 -0.615 1.407
122 HB3 GLN 13 HB3 GLN 13 4.434 0.624 2.548
123 HG2 GLN 13 HG2 GLN 13 5.610 -1.674 3.499
124 HG3 GLN 13 HG3 GLN 13 5.678 -1.794 1.774
125 HE21 GLN 13 HE21 GLN 13 6.041 0.845 0.987
126 HE22 GLN 13 HE22 GLN 13 7.552 1.410 1.625
127 H PHE 14 H PHE 14 4.278 -0.055 5.456
128 HA PHE 14 HA PHE 14 2.266 1.835 6.162
129 HB2 PHE 14 HB2 PHE 14 4.955 1.080 7.387
130 HB3 PHE 14 HB3 PHE 14 3.954 2.347 7.969
131 HD1 PHE 14 HD1 PHE 14 1.380 1.605 8.329
132 HD2 PHE 14 HD2 PHE 14 4.768 -0.954 8.474
133 HE1 PHE 14 HE1 PHE 14 0.105 0.009 9.649
134 HE2 PHE 14 HE2 PHE 14 3.493 -2.562 9.811
135 HZ PHE 14 HZ PHE 14 1.159 -2.079 10.399
136 H GLU 15 H GLU 15 5.444 1.672 4.681
137 HA GLU 15 HA GLU 15 5.710 4.547 4.453
138 HB2 GLU 15 HB2 GLU 15 7.696 3.394 4.921
139 HB3 GLU 15 HB3 GLU 15 7.307 2.118 3.832
140 HG2 GLU 15 HG2 GLU 15 9.002 3.109 2.826
141 HG3 GLU 15 HG3 GLU 15 7.629 3.797 2.001
142 H ARG 16 H ARG 16 6.472 5.071 2.241
143 HA ARG 16 HA ARG 16 4.368 4.909 0.426
144 HB2 ARG 16 HB2 ARG 16 5.971 6.711 0.350
145 HB3 ARG 16 HB3 ARG 16 7.301 5.591 0.126
146 HG2 ARG 16 HG2 ARG 16 6.440 4.964 -2.021
147 HG3 ARG 16 HG3 ARG 16 5.103 6.098 -1.855
148 HD2 ARG 16 HD2 ARG 16 7.849 7.162 -1.498
149 HD3 ARG 16 HD3 ARG 16 7.374 6.708 -3.133
150 HE ARG 16 HE ARG 16 5.787 8.413 -3.137
151 HH11 ARG 16 HH11 ARG 16 7.424 8.257 -0.040
152 HH12 ARG 16 HH12 ARG 16 6.854 9.808 0.473
153 HH21 ARG 16 HH21 ARG 16 5.045 10.453 -2.450
154 HH22 ARG 16 HH22 ARG 16 5.506 11.054 -0.893
155 HA PRO 17 HA PRO 17 4.025 0.975 -1.442
156 HB2 PRO 17 HB2 PRO 17 5.412 2.467 -3.643
157 HB3 PRO 17 HB3 PRO 17 4.148 1.240 -3.774
158 HG2 PRO 17 HG2 PRO 17 3.642 3.961 -3.621
159 HG3 PRO 17 HG3 PRO 17 2.491 2.703 -3.176
160 HD2 PRO 17 HD2 PRO 17 3.632 4.613 -1.470
161 HD3 PRO 17 HD3 PRO 17 2.729 3.168 -1.011
162 H LYS 18 H LYS 18 5.000 -0.855 -1.736
163 HA LYS 18 HA LYS 18 7.789 -1.031 -1.057
164 HB2 LYS 18 HB2 LYS 18 5.594 -2.851 -0.772
165 HB3 LYS 18 HB3 LYS 18 6.692 -3.579 -1.943
166 HG2 LYS 18 HG2 LYS 18 7.170 -2.925 0.936
167 HG3 LYS 18 HG3 LYS 18 7.373 -4.452 0.082
168 HD2 LYS 18 HD2 LYS 18 9.068 -2.144 -0.742
169 HD3 LYS 18 HD3 LYS 18 9.451 -2.975 0.765
170 HE2 LYS 18 HE2 LYS 18 10.046 -4.910 -0.291
171 HE3 LYS 18 HE3 LYS 18 8.948 -4.639 -1.643
172 HZ1 LYS 18 HZ1 LYS 18 11.488 -3.166 -1.186
173 HZ2 LYS 18 HZ2 LYS 18 10.450 -2.976 -2.508
174 HZ3 LYS 18 HZ3 LYS 18 11.280 -4.433 -2.288
175 H GLY 19 H GLY 19 6.856 0.175 -3.533
176 HA2 GLY 19 HA2 GLY 19 7.995 0.594 -5.498
177 HA3 GLY 19 HA3 GLY 19 8.778 -0.977 -5.340
178 H LEU 20 H LEU 20 5.264 -0.295 -5.071
179 HA LEU 20 HA LEU 20 4.877 -1.516 -7.716
180 HB2 LEU 20 HB2 LEU 20 4.218 -2.748 -5.124
181 HB3 LEU 20 HB3 LEU 20 3.339 -3.225 -6.560
182 HG LEU 20 HG LEU 20 6.331 -3.418 -6.515
183 HD11 LEU 20 HD11 LEU 20 5.221 -4.460 -4.420
184 HD12 LEU 20 HD12 LEU 20 6.405 -5.390 -5.339
185 HD13 LEU 20 HD13 LEU 20 4.683 -5.704 -5.548
186 HD21 LEU 20 HD21 LEU 20 4.135 -4.368 -8.176
187 HD22 LEU 20 HD22 LEU 20 5.240 -5.658 -7.707
188 HD23 LEU 20 HD23 LEU 20 5.857 -4.237 -8.545
189 H VAL 21 H VAL 21 3.703 0.365 -8.281
190 HA VAL 21 HA VAL 21 1.269 0.916 -6.842
191 HB VAL 21 HB VAL 21 2.244 2.577 -9.075
192 HG11 VAL 21 HG11 VAL 21 0.151 2.843 -7.153
193 HG12 VAL 21 HG12 VAL 21 0.514 3.872 -8.538
194 HG13 VAL 21 HG13 VAL 21 1.293 4.176 -6.986
195 HG21 VAL 21 HG21 VAL 21 3.001 3.417 -6.425
196 HG22 VAL 21 HG22 VAL 21 3.816 3.648 -7.965
197 HG23 VAL 21 HG23 VAL 21 3.930 2.107 -7.132
198 H LYS 22 H LYS 22 -0.145 1.964 -8.643
199 HA LYS 22 HA LYS 22 -1.973 1.468 -9.848
200 HB2 LYS 22 HB2 LYS 22 0.304 0.304 -11.116
201 HB3 LYS 22 HB3 LYS 22 -1.195 -0.417 -11.663
202 HG2 LYS 22 HG2 LYS 22 -1.841 1.487 -12.732
203 HG3 LYS 22 HG3 LYS 22 -1.028 2.541 -11.580
204 HD2 LYS 22 HD2 LYS 22 1.139 1.516 -12.629
205 HD3 LYS 22 HD3 LYS 22 0.070 1.158 -13.988
206 HE2 LYS 22 HE2 LYS 22 0.906 3.243 -14.549
207 HE3 LYS 22 HE3 LYS 22 -0.625 3.646 -13.774
208 HZ1 LYS 22 HZ1 LYS 22 2.036 3.706 -12.453
209 HZ2 LYS 22 HZ2 LYS 22 0.564 4.125 -11.732
210 HZ3 LYS 22 HZ3 LYS 22 1.181 5.060 -12.999
211 H GLY 23 H GLY 23 -2.859 0.688 -8.191
212 HA2 GLY 23 HA2 GLY 23 -4.228 -1.490 -7.794
213 HA3 GLY 23 HA3 GLY 23 -2.643 -2.155 -7.506
214 H TRP 24 H TRP 24 -1.973 0.728 -6.240
215 HA TRP 24 HA TRP 24 -2.248 -0.115 -3.618
216 HB2 TRP 24 HB2 TRP 24 -1.641 2.575 -4.837
217 HB3 TRP 24 HB3 TRP 24 -1.697 2.333 -3.115
218 HD1 TRP 24 HD1 TRP 24 0.767 2.617 -5.650
219 HE1 TRP 24 HE1 TRP 24 2.909 1.308 -5.163
220 HE3 TRP 24 HE3 TRP 24 -0.867 -0.245 -1.747
221 HZ2 TRP 24 HZ2 TRP 24 3.798 -0.679 -3.408
222 HZ3 TRP 24 HZ3 TRP 24 0.684 -1.908 -0.805
223 HH2 TRP 24 HH2 TRP 24 2.983 -2.064 -1.560
224 H GLU 25 H GLU 25 -3.614 0.374 -1.965
225 HA GLU 25 HA GLU 25 -5.901 2.142 -2.481
226 HB2 GLU 25 HB2 GLU 25 -6.107 -0.793 -1.852
227 HB3 GLU 25 HB3 GLU 25 -7.255 0.305 -1.106
228 HG2 GLU 25 HG2 GLU 25 -8.422 -0.201 -2.967
229 HG3 GLU 25 HG3 GLU 25 -7.500 1.163 -3.595
230 H LYS 26 H LYS 26 -5.353 3.659 -1.043
231 HA LYS 26 HA LYS 26 -3.808 3.443 1.169
232 HB2 LYS 26 HB2 LYS 26 -4.517 5.770 0.683
233 HB3 LYS 26 HB3 LYS 26 -6.177 5.232 0.703
234 HG2 LYS 26 HG2 LYS 26 -6.216 4.971 3.129
235 HG3 LYS 26 HG3 LYS 26 -4.537 5.486 3.206
236 HD2 LYS 26 HD2 LYS 26 -5.846 7.385 3.724
237 HD3 LYS 26 HD3 LYS 26 -5.194 7.625 2.093
238 HE2 LYS 26 HE2 LYS 26 -7.325 6.899 1.100
239 HE3 LYS 26 HE3 LYS 26 -7.972 6.605 2.721
240 HZ1 LYS 26 HZ1 LYS 26 -7.119 9.243 1.654
241 HZ2 LYS 26 HZ2 LYS 26 -7.731 8.964 3.206
242 HZ3 LYS 26 HZ3 LYS 26 -8.717 8.724 1.854
243 H ARG 27 H ARG 27 -3.880 2.748 3.017
244 HA ARG 27 HA ARG 27 -6.400 2.659 4.275
245 HB2 ARG 27 HB2 ARG 27 -4.442 0.392 4.122
246 HB3 ARG 27 HB3 ARG 27 -5.195 0.505 5.592
247 HG2 ARG 27 HG2 ARG 27 -7.249 -0.157 4.714
248 HG3 ARG 27 HG3 ARG 27 -6.903 0.553 3.144
249 HD2 ARG 27 HD2 ARG 27 -6.906 -1.858 2.982
250 HD3 ARG 27 HD3 ARG 27 -5.298 -1.216 2.664
251 HE ARG 27 HE ARG 27 -5.233 -1.830 5.309
252 HH11 ARG 27 HH11 ARG 27 -6.039 -3.637 2.421
253 HH12 ARG 27 HH12 ARG 27 -5.552 -5.157 3.090
254 HH21 ARG 27 HH21 ARG 27 -4.597 -3.836 6.186
255 HH22 ARG 27 HH22 ARG 27 -4.732 -5.271 5.226
256 H TRP 28 H TRP 28 -5.527 2.782 6.798
257 HA TRP 28 HA TRP 28 -4.988 5.306 7.216
258 HB2 TRP 28 HB2 TRP 28 -5.147 3.076 8.805
259 HB3 TRP 28 HB3 TRP 28 -3.782 3.934 9.357
260 HD1 TRP 28 HD1 TRP 28 -4.591 6.638 9.850
261 HE1 TRP 28 HE1 TRP 28 -6.608 7.292 11.316
262 HE3 TRP 28 HE3 TRP 28 -7.148 2.379 9.365
263 HZ2 TRP 28 HZ2 TRP 28 -9.040 6.006 12.184
264 HZ3 TRP 28 HZ3 TRP 28 -9.254 2.064 10.541
265 HH2 TRP 28 HH2 TRP 28 -10.188 3.839 11.909
266 H ASP 29 H ASP 29 -2.517 2.991 6.781
267 HA ASP 29 HA ASP 29 -0.578 5.233 6.907
268 HB2 ASP 29 HB2 ASP 29 -0.527 3.029 8.599
269 HB3 ASP 29 HB3 ASP 29 0.630 2.600 7.333
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 -4.807 2.463 12.697
2 H2 ARG 1 H2 ARG 1 -4.937 4.129 12.309
3 H3 ARG 1 H3 ARG 1 -3.878 3.617 13.558
4 HA ARG 1 HA ARG 1 -2.572 4.110 11.707
5 HB2 ARG 1 HB2 ARG 1 -2.895 1.424 12.770
6 HB3 ARG 1 HB3 ARG 1 -2.351 1.336 11.105
7 HG2 ARG 1 HG2 ARG 1 -0.449 2.843 11.721
8 HG3 ARG 1 HG3 ARG 1 -0.965 2.710 13.406
9 HD2 ARG 1 HD2 ARG 1 -0.622 0.181 11.919
10 HD3 ARG 1 HD3 ARG 1 0.846 1.085 12.280
11 HE ARG 1 HE ARG 1 -0.038 1.047 14.669
12 HH11 ARG 1 HH11 ARG 1 -0.638 -1.542 12.373
13 HH12 ARG 1 HH12 ARG 1 -0.802 -2.748 13.602
14 HH21 ARG 1 HH21 ARG 1 -0.254 -0.555 16.269
15 HH22 ARG 1 HH22 ARG 1 -0.584 -2.191 15.808
16 H TRP 2 H TRP 2 -1.887 3.162 9.553
17 HA TRP 2 HA TRP 2 -3.875 2.491 7.641
18 HB2 TRP 2 HB2 TRP 2 -4.623 4.454 7.581
19 HB3 TRP 2 HB3 TRP 2 -3.577 4.968 8.698
20 HD1 TRP 2 HD1 TRP 2 -1.478 6.182 7.983
21 HE1 TRP 2 HE1 TRP 2 -1.271 7.978 6.122
22 HE3 TRP 2 HE3 TRP 2 -5.351 4.683 5.216
23 HZ2 TRP 2 HZ2 TRP 2 -2.742 8.672 3.752
24 HZ3 TRP 2 HZ3 TRP 2 -6.017 5.966 3.271
25 HH2 TRP 2 HH2 TRP 2 -4.718 7.903 2.495
26 H PHE 3 H PHE 3 -3.075 2.504 5.562
27 HA PHE 3 HA PHE 3 -0.321 2.752 4.895
28 HB2 PHE 3 HB2 PHE 3 0.273 0.364 4.886
29 HB3 PHE 3 HB3 PHE 3 -0.035 1.011 6.471
30 HD1 PHE 3 HD1 PHE 3 -2.731 0.654 7.211
31 HD2 PHE 3 HD2 PHE 3 -0.480 -1.639 4.392
32 HE1 PHE 3 HE1 PHE 3 -4.344 -1.168 7.394
33 HE2 PHE 3 HE2 PHE 3 -2.109 -3.473 4.591
34 HZ PHE 3 HZ PHE 3 -4.058 -3.224 6.085
35 H TYR 4 H TYR 4 0.274 1.371 2.903
36 HA TYR 4 HA TYR 4 -1.957 1.622 1.073
37 HB2 TYR 4 HB2 TYR 4 0.845 1.231 0.163
38 HB3 TYR 4 HB3 TYR 4 -0.386 2.315 -0.387
39 HD1 TYR 4 HD2 TYR 4 -0.655 3.347 2.742
40 HD2 TYR 4 HD1 TYR 4 2.396 3.097 -0.195
41 HE1 TYR 4 HE2 TYR 4 0.439 5.135 3.820
42 HE2 TYR 4 HE1 TYR 4 3.554 4.950 0.912
43 HH TYR 4 HH TYR 4 2.422 7.054 2.693
44 H PHE 5 H PHE 5 -2.571 0.041 -0.359
45 HA PHE 5 HA PHE 5 -1.415 -2.637 0.021
46 HB2 PHE 5 HB2 PHE 5 -3.602 -2.363 1.125
47 HB3 PHE 5 HB3 PHE 5 -4.325 -1.959 -0.401
48 HD1 PHE 5 HD2 PHE 5 -2.062 -4.655 0.840
49 HD2 PHE 5 HD1 PHE 5 -5.537 -3.602 -1.368
50 HE1 PHE 5 HE2 PHE 5 -2.463 -7.024 0.347
51 HE2 PHE 5 HE1 PHE 5 -5.933 -5.962 -1.888
52 HZ PHE 5 HZ PHE 5 -4.398 -7.667 -1.022
53 H ASN 6 H ASN 6 -0.845 -3.690 -1.809
54 HA ASN 6 HA ASN 6 -1.768 -2.510 -4.344
55 HB2 ASN 6 HB2 ASN 6 0.705 -2.625 -4.070
56 HB3 ASN 6 HB3 ASN 6 0.603 -4.331 -3.746
57 HD21 ASN 6 HD21 ASN 6 -0.740 -2.086 -6.180
58 HD22 ASN 6 HD22 ASN 6 -0.336 -3.037 -7.558
59 H ARG 7 H ARG 7 -3.648 -3.500 -4.843
60 HA ARG 7 HA ARG 7 -4.358 -6.095 -4.198
61 HB2 ARG 7 HB2 ARG 7 -5.250 -3.695 -5.428
62 HB3 ARG 7 HB3 ARG 7 -5.761 -5.034 -6.365
63 HG2 ARG 7 HG2 ARG 7 -6.310 -4.867 -3.419
64 HG3 ARG 7 HG3 ARG 7 -7.288 -4.059 -4.622
65 HD2 ARG 7 HD2 ARG 7 -7.897 -6.130 -5.688
66 HD3 ARG 7 HD3 ARG 7 -6.722 -7.020 -4.698
67 HE ARG 7 HE ARG 7 -8.739 -5.647 -3.099
68 HH11 ARG 7 HH11 ARG 7 -8.039 -8.572 -4.928
69 HH12 ARG 7 HH12 ARG 7 -9.180 -9.534 -4.052
70 HH21 ARG 7 HH21 ARG 7 -10.231 -6.932 -1.963
71 HH22 ARG 7 HH22 ARG 7 -10.425 -8.604 -2.370
72 H ILE 8 H ILE 8 -2.047 -5.190 -6.467
73 HA ILE 8 HA ILE 8 -2.801 -7.142 -8.487
74 HB ILE 8 HB ILE 8 -0.335 -5.391 -8.247
75 HG12 ILE 8 HG12 ILE 8 -2.813 -4.458 -8.807
76 HG13 ILE 8 HG13 ILE 8 -1.338 -3.754 -9.441
77 HG21 ILE 8 HG21 ILE 8 0.182 -5.976 -10.544
78 HG22 ILE 8 HG22 ILE 8 -1.207 -7.060 -10.600
79 HG23 ILE 8 HG23 ILE 8 0.144 -7.409 -9.518
80 HD11 ILE 8 HD11 ILE 8 -2.019 -5.742 -11.276
81 HD12 ILE 8 HD12 ILE 8 -2.193 -3.999 -11.460
82 HD13 ILE 8 HD13 ILE 8 -3.538 -4.955 -10.843
83 H THR 9 H THR 9 -0.075 -6.593 -6.256
84 HA THR 9 HA THR 9 0.732 -9.377 -6.574
85 HB THR 9 HB THR 9 2.825 -8.763 -5.596
86 HG1 THR 9 HG1 THR 9 3.152 -6.652 -4.790
87 HG21 THR 9 HG21 THR 9 2.316 -6.317 -7.176
88 HG22 THR 9 HG22 THR 9 2.110 -7.881 -7.965
89 HG23 THR 9 HG23 THR 9 3.666 -7.453 -7.246
90 H GLY 10 H GLY 10 -0.747 -7.282 -4.384
91 HA2 GLY 10 HA2 GLY 10 -2.053 -7.860 -2.542
92 HA3 GLY 10 HA3 GLY 10 -1.268 -9.406 -2.536
93 H LYS 11 H LYS 11 0.928 -6.770 -2.684
94 HA LYS 11 HA LYS 11 1.750 -7.255 0.037
95 HB2 LYS 11 HB2 LYS 11 2.985 -5.866 -2.334
96 HB3 LYS 11 HB3 LYS 11 3.744 -5.910 -0.753
97 HG2 LYS 11 HG2 LYS 11 2.947 -8.417 -2.173
98 HG3 LYS 11 HG3 LYS 11 4.461 -7.597 -2.553
99 HD2 LYS 11 HD2 LYS 11 3.934 -8.004 0.297
100 HD3 LYS 11 HD3 LYS 11 4.176 -9.482 -0.628
101 HE2 LYS 11 HE2 LYS 11 6.071 -7.182 -0.912
102 HE3 LYS 11 HE3 LYS 11 6.222 -8.294 0.447
103 HZ1 LYS 11 HZ1 LYS 11 6.381 -10.126 -1.154
104 HZ2 LYS 11 HZ2 LYS 11 7.625 -8.998 -1.359
105 HZ3 LYS 11 HZ3 LYS 11 6.318 -9.018 -2.433
106 H ARG 12 H ARG 12 2.398 -5.289 1.332
107 HA ARG 12 HA ARG 12 1.186 -2.809 0.810
108 HB2 ARG 12 HB2 ARG 12 -0.535 -3.026 2.504
109 HB3 ARG 12 HB3 ARG 12 -0.749 -4.124 1.186
110 HG2 ARG 12 HG2 ARG 12 0.180 -5.905 2.607
111 HG3 ARG 12 HG3 ARG 12 0.248 -4.778 3.940
112 HD2 ARG 12 HD2 ARG 12 -2.313 -4.448 3.269
113 HD3 ARG 12 HD3 ARG 12 -2.080 -6.055 2.591
114 HE ARG 12 HE ARG 12 -2.183 -5.455 5.463
115 HH11 ARG 12 HH11 ARG 12 -1.159 -7.742 2.991
116 HH12 ARG 12 HH12 ARG 12 -1.132 -9.082 4.086
117 HH21 ARG 12 HH21 ARG 12 -2.140 -7.222 6.872
118 HH22 ARG 12 HH22 ARG 12 -1.689 -8.788 6.287
119 H GLN 13 H GLN 13 1.933 -1.210 2.267
120 HA GLN 13 HA GLN 13 2.742 -1.800 4.914
121 HB2 GLN 13 HB2 GLN 13 4.987 -0.488 4.020
122 HB3 GLN 13 HB3 GLN 13 4.885 -2.101 4.661
123 HG2 GLN 13 HG2 GLN 13 5.922 -2.575 2.798
124 HG3 GLN 13 HG3 GLN 13 4.313 -2.593 2.131
125 HE21 GLN 13 HE21 GLN 13 3.687 0.012 1.687
126 HE22 GLN 13 HE22 GLN 13 4.854 0.757 0.657
127 H PHE 14 H PHE 14 4.102 0.121 5.692
128 HA PHE 14 HA PHE 14 2.428 2.498 5.362
129 HB2 PHE 14 HB2 PHE 14 3.433 1.510 7.631
130 HB3 PHE 14 HB3 PHE 14 4.872 2.387 7.127
131 HD1 PHE 14 HD1 PHE 14 1.247 3.151 7.043
132 HD2 PHE 14 HD2 PHE 14 5.106 4.316 8.337
133 HE1 PHE 14 HE1 PHE 14 0.290 5.199 8.009
134 HE2 PHE 14 HE2 PHE 14 4.174 6.371 9.306
135 HZ PHE 14 HZ PHE 14 1.763 6.806 9.138
136 H GLU 15 H GLU 15 5.351 1.176 4.205
137 HA GLU 15 HA GLU 15 6.727 3.632 3.645
138 HB2 GLU 15 HB2 GLU 15 7.388 0.997 3.904
139 HB3 GLU 15 HB3 GLU 15 7.508 1.246 2.210
140 HG2 GLU 15 HG2 GLU 15 8.726 3.404 3.585
141 HG3 GLU 15 HG3 GLU 15 9.327 1.886 4.237
142 H ARG 16 H ARG 16 7.722 3.442 1.410
143 HA ARG 16 HA ARG 16 5.993 4.428 -0.516
144 HB2 ARG 16 HB2 ARG 16 8.365 4.764 -0.647
145 HB3 ARG 16 HB3 ARG 16 8.674 3.040 -0.635
146 HG2 ARG 16 HG2 ARG 16 7.461 2.909 -2.793
147 HG3 ARG 16 HG3 ARG 16 7.507 4.670 -2.859
148 HD2 ARG 16 HD2 ARG 16 9.981 2.999 -2.487
149 HD3 ARG 16 HD3 ARG 16 9.356 3.402 -4.083
150 HE ARG 16 HE ARG 16 9.901 5.653 -3.715
151 HH11 ARG 16 HH11 ARG 16 10.794 3.655 -0.974
152 HH12 ARG 16 HH12 ARG 16 11.852 4.846 -0.301
153 HH21 ARG 16 HH21 ARG 16 11.295 7.211 -2.816
154 HH22 ARG 16 HH22 ARG 16 12.137 6.862 -1.343
155 HA PRO 17 HA PRO 17 3.765 0.850 -1.882
156 HB2 PRO 17 HB2 PRO 17 4.522 1.445 -4.682
157 HB3 PRO 17 HB3 PRO 17 2.924 1.260 -3.967
158 HG2 PRO 17 HG2 PRO 17 3.920 3.662 -4.672
159 HG3 PRO 17 HG3 PRO 17 2.816 3.448 -3.303
160 HD2 PRO 17 HD2 PRO 17 5.741 3.950 -3.307
161 HD3 PRO 17 HD3 PRO 17 4.525 4.381 -2.131
162 H LYS 18 H LYS 18 4.357 -1.234 -2.080
163 HA LYS 18 HA LYS 18 7.103 -1.939 -2.248
164 HB2 LYS 18 HB2 LYS 18 4.864 -3.297 -1.344
165 HB3 LYS 18 HB3 LYS 18 5.222 -4.143 -2.834
166 HG2 LYS 18 HG2 LYS 18 6.788 -3.961 -0.313
167 HG3 LYS 18 HG3 LYS 18 6.383 -5.368 -1.294
168 HD2 LYS 18 HD2 LYS 18 8.098 -4.987 -2.798
169 HD3 LYS 18 HD3 LYS 18 8.199 -3.269 -2.411
170 HE2 LYS 18 HE2 LYS 18 8.881 -4.239 -0.034
171 HE3 LYS 18 HE3 LYS 18 9.386 -5.609 -1.021
172 HZ1 LYS 18 HZ1 LYS 18 10.781 -4.139 -2.315
173 HZ2 LYS 18 HZ2 LYS 18 11.180 -4.012 -0.676
174 HZ3 LYS 18 HZ3 LYS 18 10.265 -2.799 -1.419
175 H GLY 19 H GLY 19 7.110 -0.563 -4.214
176 HA2 GLY 19 HA2 GLY 19 8.190 -1.446 -6.374
177 HA3 GLY 19 HA3 GLY 19 6.559 -2.003 -6.696
178 H LEU 20 H LEU 20 6.176 0.971 -5.058
179 HA LEU 20 HA LEU 20 5.393 2.983 -5.861
180 HB2 LEU 20 HB2 LEU 20 8.062 2.503 -6.722
181 HB3 LEU 20 HB3 LEU 20 7.268 3.434 -7.963
182 HG LEU 20 HG LEU 20 7.401 4.326 -5.066
183 HD11 LEU 20 HD11 LEU 20 9.245 5.760 -5.736
184 HD12 LEU 20 HD12 LEU 20 9.244 5.028 -7.340
185 HD13 LEU 20 HD13 LEU 20 9.657 4.056 -5.927
186 HD21 LEU 20 HD21 LEU 20 5.976 5.893 -5.809
187 HD22 LEU 20 HD22 LEU 20 6.153 5.358 -7.483
188 HD23 LEU 20 HD23 LEU 20 7.302 6.503 -6.796
189 H VAL 21 H VAL 21 3.744 1.372 -6.782
190 HA VAL 21 HA VAL 21 3.349 1.908 -9.577
191 HB VAL 21 HB VAL 21 2.257 -0.664 -8.741
192 HG11 VAL 21 HG11 VAL 21 3.899 -0.804 -11.054
193 HG12 VAL 21 HG12 VAL 21 2.962 0.684 -11.171
194 HG13 VAL 21 HG13 VAL 21 2.139 -0.862 -10.967
195 HG21 VAL 21 HG21 VAL 21 4.600 -0.276 -7.776
196 HG22 VAL 21 HG22 VAL 21 5.105 -0.575 -9.426
197 HG23 VAL 21 HG23 VAL 21 4.177 -1.791 -8.553
198 H LYS 22 H LYS 22 1.216 0.740 -10.123
199 HA LYS 22 HA LYS 22 -0.904 2.305 -8.878
200 HB2 LYS 22 HB2 LYS 22 -0.658 0.861 -11.519
201 HB3 LYS 22 HB3 LYS 22 -2.226 1.358 -10.900
202 HG2 LYS 22 HG2 LYS 22 -1.842 3.557 -11.284
203 HG3 LYS 22 HG3 LYS 22 -0.107 3.421 -10.991
204 HD2 LYS 22 HD2 LYS 22 -0.056 2.080 -13.190
205 HD3 LYS 22 HD3 LYS 22 -1.657 2.766 -13.477
206 HE2 LYS 22 HE2 LYS 22 -0.285 4.295 -14.532
207 HE3 LYS 22 HE3 LYS 22 -0.494 5.029 -12.943
208 HZ1 LYS 22 HZ1 LYS 22 1.835 3.392 -13.795
209 HZ2 LYS 22 HZ2 LYS 22 1.637 4.105 -12.275
210 HZ3 LYS 22 HZ3 LYS 22 1.815 5.077 -13.647
211 H GLY 23 H GLY 23 -3.112 0.915 -8.874
212 HA2 GLY 23 HA2 GLY 23 -4.141 -1.234 -8.229
213 HA3 GLY 23 HA3 GLY 23 -2.522 -1.884 -8.057
214 H TRP 24 H TRP 24 -1.471 0.269 -6.577
215 HA TRP 24 HA TRP 24 -1.804 -0.486 -3.975
216 HB2 TRP 24 HB2 TRP 24 -0.673 1.935 -5.377
217 HB3 TRP 24 HB3 TRP 24 -0.523 1.711 -3.655
218 HD1 TRP 24 HD1 TRP 24 1.215 0.811 -6.814
219 HE1 TRP 24 HE1 TRP 24 3.040 -0.864 -6.335
220 HE3 TRP 24 HE3 TRP 24 -0.112 -0.509 -2.073
221 HZ2 TRP 24 HZ2 TRP 24 3.826 -2.603 -4.289
222 HZ3 TRP 24 HZ3 TRP 24 1.202 -2.279 -0.979
223 HH2 TRP 24 HH2 TRP 24 3.145 -3.235 -2.026
224 H GLU 25 H GLU 25 -3.158 0.161 -2.321
225 HA GLU 25 HA GLU 25 -4.641 2.653 -2.489
226 HB2 GLU 25 HB2 GLU 25 -5.946 -0.016 -2.906
227 HB3 GLU 25 HB3 GLU 25 -6.806 1.211 -1.985
228 HG2 GLU 25 HG2 GLU 25 -7.555 1.995 -3.911
229 HG3 GLU 25 HG3 GLU 25 -5.919 2.574 -4.220
230 H LYS 26 H LYS 26 -4.049 3.374 -0.483
231 HA LYS 26 HA LYS 26 -3.685 1.595 1.658
232 HB2 LYS 26 HB2 LYS 26 -3.302 3.737 2.988
233 HB3 LYS 26 HB3 LYS 26 -2.326 3.755 1.520
234 HG2 LYS 26 HG2 LYS 26 -4.999 5.068 1.618
235 HG3 LYS 26 HG3 LYS 26 -3.599 5.791 2.384
236 HD2 LYS 26 HD2 LYS 26 -3.081 6.698 0.435
237 HD3 LYS 26 HD3 LYS 26 -2.568 5.068 -0.031
238 HE2 LYS 26 HE2 LYS 26 -5.152 4.786 -0.650
239 HE3 LYS 26 HE3 LYS 26 -5.076 6.553 -0.735
240 HZ1 LYS 26 HZ1 LYS 26 -3.283 6.368 -2.345
241 HZ2 LYS 26 HZ2 LYS 26 -4.659 5.547 -2.886
242 HZ3 LYS 26 HZ3 LYS 26 -3.348 4.679 -2.261
243 H ARG 27 H ARG 27 -4.675 1.635 3.676
244 HA ARG 27 HA ARG 27 -7.551 2.278 3.625
245 HB2 ARG 27 HB2 ARG 27 -6.725 -0.177 3.502
246 HB3 ARG 27 HB3 ARG 27 -6.429 -0.035 5.206
247 HG2 ARG 27 HG2 ARG 27 -8.664 -0.999 4.168
248 HG3 ARG 27 HG3 ARG 27 -8.671 -0.117 5.677
249 HD2 ARG 27 HD2 ARG 27 -10.471 0.514 4.050
250 HD3 ARG 27 HD3 ARG 27 -9.468 1.858 4.569
251 HE ARG 27 HE ARG 27 -8.553 0.666 2.127
252 HH11 ARG 27 HH11 ARG 27 -10.824 2.964 3.478
253 HH12 ARG 27 HH12 ARG 27 -10.946 3.885 2.018
254 HH21 ARG 27 HH21 ARG 27 -8.716 1.883 0.210
255 HH22 ARG 27 HH22 ARG 27 -9.749 3.272 0.162
256 H TRP 28 H TRP 28 -8.451 2.770 5.541
257 HA TRP 28 HA TRP 28 -6.609 3.820 7.571
258 HB2 TRP 28 HB2 TRP 28 -8.241 5.438 6.578
259 HB3 TRP 28 HB3 TRP 28 -9.541 4.509 7.291
260 HD1 TRP 28 HD1 TRP 28 -10.328 5.499 9.434
261 HE1 TRP 28 HE1 TRP 28 -9.321 6.807 11.397
262 HE3 TRP 28 HE3 TRP 28 -5.559 5.855 7.740
263 HZ2 TRP 28 HZ2 TRP 28 -6.785 7.854 12.133
264 HZ3 TRP 28 HZ3 TRP 28 -3.869 6.997 9.126
265 HH2 TRP 28 HH2 TRP 28 -4.484 7.991 11.274
266 H ASP 29 H ASP 29 -6.223 2.386 9.032
267 HA ASP 29 HA ASP 29 -8.436 0.820 10.179
268 HB2 ASP 29 HB2 ASP 29 -6.537 -0.393 8.875
269 HB3 ASP 29 HB3 ASP 29 -5.552 -0.071 10.299
Start of MODEL 11
1 H1 ARG 1 H1 ARG 1 -3.869 3.732 13.030
2 H2 ARG 1 H2 ARG 1 -4.898 3.383 11.701
3 H3 ARG 1 H3 ARG 1 -4.431 5.001 12.027
4 HA ARG 1 HA ARG 1 -2.273 4.656 11.381
5 HB2 ARG 1 HB2 ARG 1 -2.755 2.063 12.375
6 HB3 ARG 1 HB3 ARG 1 -2.426 1.825 10.671
7 HG2 ARG 1 HG2 ARG 1 -0.303 3.189 11.048
8 HG3 ARG 1 HG3 ARG 1 -0.616 2.979 12.775
9 HD2 ARG 1 HD2 ARG 1 -0.915 0.441 11.664
10 HD3 ARG 1 HD3 ARG 1 0.493 1.130 10.857
11 HE ARG 1 HE ARG 1 0.494 1.434 13.725
12 HH11 ARG 1 HH11 ARG 1 1.418 -0.626 11.047
13 HH12 ARG 1 HH12 ARG 1 2.660 -1.435 11.940
14 HH21 ARG 1 HH21 ARG 1 2.131 0.365 14.895
15 HH22 ARG 1 HH22 ARG 1 3.065 -0.874 14.125
16 H TRP 2 H TRP 2 -1.562 4.625 9.246
17 HA TRP 2 HA TRP 2 -3.640 4.107 7.221
18 HB2 TRP 2 HB2 TRP 2 -1.622 6.300 7.503
19 HB3 TRP 2 HB3 TRP 2 -2.228 5.894 5.942
20 HD1 TRP 2 HD1 TRP 2 -2.934 7.996 8.808
21 HE1 TRP 2 HE1 TRP 2 -5.275 9.073 8.618
22 HE3 TRP 2 HE3 TRP 2 -4.730 5.194 5.020
23 HZ2 TRP 2 HZ2 TRP 2 -7.598 8.738 7.012
24 HZ3 TRP 2 HZ3 TRP 2 -7.009 5.595 4.178
25 HH2 TRP 2 HH2 TRP 2 -8.416 7.341 5.159
26 H PHE 3 H PHE 3 -2.790 3.470 5.084
27 HA PHE 3 HA PHE 3 -0.176 2.888 4.508
28 HB2 PHE 3 HB2 PHE 3 0.172 0.574 4.880
29 HB3 PHE 3 HB3 PHE 3 -0.318 1.301 6.355
30 HD1 PHE 3 HD1 PHE 3 -3.267 1.311 6.190
31 HD2 PHE 3 HD2 PHE 3 -0.471 -1.608 4.870
32 HE1 PHE 3 HE1 PHE 3 -5.031 -0.393 6.237
33 HE2 PHE 3 HE2 PHE 3 -2.225 -3.329 4.926
34 HZ PHE 3 HZ PHE 3 -4.524 -2.705 5.599
35 H TYR 4 H TYR 4 0.047 1.097 2.846
36 HA TYR 4 HA TYR 4 -1.914 1.698 0.783
37 HB2 TYR 4 HB2 TYR 4 0.747 0.560 0.255
38 HB3 TYR 4 HB3 TYR 4 -0.026 1.856 -0.464
39 HD1 TYR 4 HD1 TYR 4 -0.537 3.327 2.215
40 HD2 TYR 4 HD2 TYR 4 3.062 1.735 0.438
41 HE1 TYR 4 HE1 TYR 4 0.702 4.994 3.345
42 HE2 TYR 4 HE2 TYR 4 4.275 3.470 1.650
43 HH TYR 4 HH TYR 4 3.600 4.932 4.094
44 H PHE 5 H PHE 5 -2.319 -0.024 -0.920
45 HA PHE 5 HA PHE 5 -1.825 -2.741 0.003
46 HB2 PHE 5 HB2 PHE 5 -3.998 -2.112 0.965
47 HB3 PHE 5 HB3 PHE 5 -4.618 -1.766 -0.629
48 HD1 PHE 5 HD2 PHE 5 -2.726 -4.569 0.992
49 HD2 PHE 5 HD1 PHE 5 -5.909 -3.367 -1.578
50 HE1 PHE 5 HE2 PHE 5 -3.333 -6.923 0.608
51 HE2 PHE 5 HE1 PHE 5 -6.474 -5.699 -2.000
52 HZ PHE 5 HZ PHE 5 -5.181 -7.463 -0.937
53 H ASN 6 H ASN 6 -1.498 -4.185 -1.688
54 HA ASN 6 HA ASN 6 -2.043 -3.093 -4.376
55 HB2 ASN 6 HB2 ASN 6 0.333 -3.647 -3.751
56 HB3 ASN 6 HB3 ASN 6 -0.125 -5.280 -3.505
57 HD21 ASN 6 HD21 ASN 6 0.731 -2.889 -5.968
58 HD22 ASN 6 HD22 ASN 6 0.531 -3.938 -7.310
59 H ARG 7 H ARG 7 -3.514 -4.055 -5.555
60 HA ARG 7 HA ARG 7 -5.034 -6.197 -4.405
61 HB2 ARG 7 HB2 ARG 7 -6.696 -5.592 -5.882
62 HB3 ARG 7 HB3 ARG 7 -5.773 -4.098 -5.734
63 HG2 ARG 7 HG2 ARG 7 -4.800 -4.314 -7.771
64 HG3 ARG 7 HG3 ARG 7 -5.131 -6.030 -7.884
65 HD2 ARG 7 HD2 ARG 7 -7.570 -5.520 -8.052
66 HD3 ARG 7 HD3 ARG 7 -7.162 -3.790 -8.077
67 HE ARG 7 HE ARG 7 -5.741 -5.261 -10.131
68 HH11 ARG 7 HH11 ARG 7 -8.850 -3.811 -9.349
69 HH12 ARG 7 HH12 ARG 7 -9.289 -3.572 -11.006
70 HH21 ARG 7 HH21 ARG 7 -6.338 -4.937 -12.301
71 HH22 ARG 7 HH22 ARG 7 -7.863 -4.211 -12.682
72 H ILE 8 H ILE 8 -2.650 -5.985 -6.932
73 HA ILE 8 HA ILE 8 -3.399 -8.524 -8.109
74 HB ILE 8 HB ILE 8 -0.964 -6.786 -8.631
75 HG12 ILE 8 HG12 ILE 8 -3.631 -6.912 -10.067
76 HG13 ILE 8 HG13 ILE 8 -2.757 -5.508 -9.485
77 HG21 ILE 8 HG21 ILE 8 -0.605 -9.174 -9.151
78 HG22 ILE 8 HG22 ILE 8 -0.497 -8.120 -10.560
79 HG23 ILE 8 HG23 ILE 8 -1.943 -9.093 -10.299
80 HD11 ILE 8 HD11 ILE 8 -0.999 -6.090 -11.224
81 HD12 ILE 8 HD12 ILE 8 -2.537 -5.437 -11.788
82 HD13 ILE 8 HD13 ILE 8 -2.218 -7.167 -11.907
83 H THR 9 H THR 9 -0.685 -7.333 -6.133
84 HA THR 9 HA THR 9 0.208 -10.098 -5.808
85 HB THR 9 HB THR 9 2.321 -9.213 -5.147
86 HG1 THR 9 HG1 THR 9 2.638 -6.986 -4.909
87 HG21 THR 9 HG21 THR 9 1.705 -7.274 -7.273
88 HG22 THR 9 HG22 THR 9 1.427 -8.980 -7.625
89 HG23 THR 9 HG23 THR 9 3.034 -8.428 -7.142
90 H GLY 10 H GLY 10 -1.358 -7.634 -4.177
91 HA2 GLY 10 HA2 GLY 10 -2.098 -7.346 -1.987
92 HA3 GLY 10 HA3 GLY 10 -2.001 -9.089 -1.939
93 H LYS 11 H LYS 11 0.865 -6.938 -2.396
94 HA LYS 11 HA LYS 11 1.873 -8.166 0.033
95 HB2 LYS 11 HB2 LYS 11 3.456 -6.831 -2.161
96 HB3 LYS 11 HB3 LYS 11 4.083 -7.770 -0.840
97 HG2 LYS 11 HG2 LYS 11 2.162 -9.017 -2.724
98 HG3 LYS 11 HG3 LYS 11 3.846 -8.815 -3.199
99 HD2 LYS 11 HD2 LYS 11 2.967 -10.194 -0.668
100 HD3 LYS 11 HD3 LYS 11 3.297 -11.036 -2.181
101 HE2 LYS 11 HE2 LYS 11 5.590 -10.092 -2.150
102 HE3 LYS 11 HE3 LYS 11 5.243 -9.385 -0.573
103 HZ1 LYS 11 HZ1 LYS 11 4.836 -11.636 0.272
104 HZ2 LYS 11 HZ2 LYS 11 6.414 -11.455 -0.310
105 HZ3 LYS 11 HZ3 LYS 11 5.263 -12.281 -1.234
106 H ARG 12 H ARG 12 0.250 -6.149 0.514
107 HA ARG 12 HA ARG 12 0.861 -3.615 0.921
108 HB2 ARG 12 HB2 ARG 12 -0.542 -3.573 2.855
109 HB3 ARG 12 HB3 ARG 12 -1.174 -4.851 1.851
110 HG2 ARG 12 HG2 ARG 12 -1.187 -5.996 3.770
111 HG3 ARG 12 HG3 ARG 12 0.524 -6.235 3.440
112 HD2 ARG 12 HD2 ARG 12 1.143 -4.986 5.180
113 HD3 ARG 12 HD3 ARG 12 0.017 -3.701 4.746
114 HE ARG 12 HE ARG 12 -1.343 -5.919 5.913
115 HH11 ARG 12 HH11 ARG 12 0.605 -3.115 6.705
116 HH12 ARG 12 HH12 ARG 12 -0.052 -2.958 8.299
117 HH21 ARG 12 HH21 ARG 12 -2.201 -5.705 8.013
118 HH22 ARG 12 HH22 ARG 12 -1.643 -4.429 9.043
119 H GLN 13 H GLN 13 1.982 -2.360 2.416
120 HA GLN 13 HA GLN 13 3.803 -3.384 4.416
121 HB2 GLN 13 HB2 GLN 13 5.322 -1.602 2.774
122 HB3 GLN 13 HB3 GLN 13 5.733 -3.185 3.365
123 HG2 GLN 13 HG2 GLN 13 5.372 -4.160 1.485
124 HG3 GLN 13 HG3 GLN 13 4.011 -3.198 1.020
125 HE21 GLN 13 HE21 GLN 13 4.817 -0.776 0.373
126 HE22 GLN 13 HE22 GLN 13 6.135 -0.765 -0.705
127 H PHE 14 H PHE 14 5.313 -1.175 4.533
128 HA PHE 14 HA PHE 14 3.434 1.036 4.992
129 HB2 PHE 14 HB2 PHE 14 4.494 -0.418 7.003
130 HB3 PHE 14 HB3 PHE 14 5.882 0.607 6.713
131 HD1 PHE 14 HD1 PHE 14 2.233 1.273 6.752
132 HD2 PHE 14 HD2 PHE 14 6.048 2.200 8.334
133 HE1 PHE 14 HE1 PHE 14 1.242 3.078 8.072
134 HE2 PHE 14 HE2 PHE 14 5.068 4.003 9.681
135 HZ PHE 14 HZ PHE 14 2.654 4.438 9.545
136 H GLU 15 H GLU 15 6.064 -0.096 3.234
137 HA GLU 15 HA GLU 15 7.736 2.227 3.419
138 HB2 GLU 15 HB2 GLU 15 8.130 -0.376 2.847
139 HB3 GLU 15 HB3 GLU 15 8.195 0.330 1.280
140 HG2 GLU 15 HG2 GLU 15 9.671 1.900 3.101
141 HG3 GLU 15 HG3 GLU 15 10.142 0.217 3.274
142 H ARG 16 H ARG 16 8.656 2.804 1.320
143 HA ARG 16 HA ARG 16 7.115 4.561 0.051
144 HB2 ARG 16 HB2 ARG 16 9.399 4.881 0.062
145 HB3 ARG 16 HB3 ARG 16 9.674 3.305 -0.649
146 HG2 ARG 16 HG2 ARG 16 8.778 4.047 -2.734
147 HG3 ARG 16 HG3 ARG 16 8.458 5.648 -2.071
148 HD2 ARG 16 HD2 ARG 16 10.490 5.858 -3.249
149 HD3 ARG 16 HD3 ARG 16 10.940 5.757 -1.548
150 HE ARG 16 HE ARG 16 10.955 3.248 -2.999
151 HH11 ARG 16 HH11 ARG 16 12.831 5.994 -1.900
152 HH12 ARG 16 HH12 ARG 16 14.344 5.162 -2.019
153 HH21 ARG 16 HH21 ARG 16 12.952 2.159 -3.155
154 HH22 ARG 16 HH22 ARG 16 14.414 2.986 -2.732
155 HA PRO 17 HA PRO 17 6.287 1.502 -3.521
156 HB2 PRO 17 HB2 PRO 17 6.542 -1.111 -2.624
157 HB3 PRO 17 HB3 PRO 17 7.714 -0.235 -3.616
158 HG2 PRO 17 HG2 PRO 17 7.914 -0.985 -0.846
159 HG3 PRO 17 HG3 PRO 17 9.141 -0.130 -1.812
160 HD2 PRO 17 HD2 PRO 17 7.182 0.923 0.121
161 HD3 PRO 17 HD3 PRO 17 8.573 1.712 -0.493
162 H LYS 18 H LYS 18 4.567 -0.021 -3.837
163 HA LYS 18 HA LYS 18 2.528 -0.554 -3.465
164 HB2 LYS 18 HB2 LYS 18 2.177 -1.776 -1.525
165 HB3 LYS 18 HB3 LYS 18 3.863 -1.421 -1.284
166 HG2 LYS 18 HG2 LYS 18 3.465 -0.030 0.342
167 HG3 LYS 18 HG3 LYS 18 2.059 0.660 -0.401
168 HD2 LYS 18 HD2 LYS 18 0.695 -1.172 0.257
169 HD3 LYS 18 HD3 LYS 18 2.107 -2.062 0.828
170 HE2 LYS 18 HE2 LYS 18 2.488 -0.439 2.545
171 HE3 LYS 18 HE3 LYS 18 1.217 0.565 1.949
172 HZ1 LYS 18 HZ1 LYS 18 0.154 -1.987 2.469
173 HZ2 LYS 18 HZ2 LYS 18 -0.254 -0.553 3.221
174 HZ3 LYS 18 HZ3 LYS 18 1.001 -1.476 3.833
175 H GLY 19 H GLY 19 3.757 2.058 -3.243
176 HA2 GLY 19 HA2 GLY 19 1.437 3.736 -2.923
177 HA3 GLY 19 HA3 GLY 19 2.912 4.170 -2.035
178 H LEU 20 H LEU 20 4.961 3.401 -3.674
179 HA LEU 20 HA LEU 20 4.470 5.102 -6.027
180 HB2 LEU 20 HB2 LEU 20 6.887 4.371 -4.497
181 HB3 LEU 20 HB3 LEU 20 7.103 4.702 -6.195
182 HG LEU 20 HG LEU 20 5.728 6.737 -4.456
183 HD11 LEU 20 HD11 LEU 20 8.267 7.629 -4.456
184 HD12 LEU 20 HD12 LEU 20 8.535 5.894 -4.282
185 HD13 LEU 20 HD13 LEU 20 7.522 6.751 -3.120
186 HD21 LEU 20 HD21 LEU 20 6.838 6.590 -7.145
187 HD22 LEU 20 HD22 LEU 20 7.477 7.952 -6.228
188 HD23 LEU 20 HD23 LEU 20 5.737 7.777 -6.441
189 H VAL 21 H VAL 21 3.344 2.641 -5.902
190 HA VAL 21 HA VAL 21 4.387 1.271 -8.172
191 HB VAL 21 HB VAL 21 3.782 0.012 -5.606
192 HG11 VAL 21 HG11 VAL 21 4.138 -1.209 -8.368
193 HG12 VAL 21 HG12 VAL 21 2.741 -1.432 -7.323
194 HG13 VAL 21 HG13 VAL 21 4.293 -2.143 -6.888
195 HG21 VAL 21 HG21 VAL 21 5.884 -0.844 -5.792
196 HG22 VAL 21 HG22 VAL 21 5.892 0.921 -5.961
197 HG23 VAL 21 HG23 VAL 21 6.071 -0.115 -7.387
198 H LYS 22 H LYS 22 2.913 -0.173 -9.042
199 HA LYS 22 HA LYS 22 0.262 1.010 -9.288
200 HB2 LYS 22 HB2 LYS 22 1.410 -1.223 -10.957
201 HB3 LYS 22 HB3 LYS 22 0.011 -0.232 -11.328
202 HG2 LYS 22 HG2 LYS 22 1.489 0.849 -12.633
203 HG3 LYS 22 HG3 LYS 22 1.856 1.697 -11.131
204 HD2 LYS 22 HD2 LYS 22 3.978 1.089 -11.561
205 HD3 LYS 22 HD3 LYS 22 3.480 -0.483 -10.935
206 HE2 LYS 22 HE2 LYS 22 2.882 -1.146 -13.259
207 HE3 LYS 22 HE3 LYS 22 3.556 0.382 -13.822
208 HZ1 LYS 22 HZ1 LYS 22 5.702 -0.265 -12.961
209 HZ2 LYS 22 HZ2 LYS 22 5.132 -1.457 -14.016
210 HZ3 LYS 22 HZ3 LYS 22 5.066 -1.707 -12.345
211 H GLY 23 H GLY 23 -1.660 -0.191 -9.261
212 HA2 GLY 23 HA2 GLY 23 -3.054 -2.118 -8.648
213 HA3 GLY 23 HA3 GLY 23 -1.610 -2.898 -8.048
214 H TRP 24 H TRP 24 -0.780 -0.525 -6.629
215 HA TRP 24 HA TRP 24 -1.742 -1.089 -4.117
216 HB2 TRP 24 HB2 TRP 24 0.010 1.061 -5.289
217 HB3 TRP 24 HB3 TRP 24 -0.220 0.852 -3.572
218 HD1 TRP 24 HD1 TRP 24 1.980 -0.288 -6.284
219 HE1 TRP 24 HE1 TRP 24 3.363 -2.347 -5.506
220 HE3 TRP 24 HE3 TRP 24 -0.467 -1.282 -1.961
221 HZ2 TRP 24 HZ2 TRP 24 3.275 -4.249 -3.411
222 HZ3 TRP 24 HZ3 TRP 24 0.141 -3.329 -0.696
223 HH2 TRP 24 HH2 TRP 24 2.002 -4.698 -1.358
224 H GLU 25 H GLU 25 -2.979 0.063 -2.628
225 HA GLU 25 HA GLU 25 -4.102 2.655 -3.336
226 HB2 GLU 25 HB2 GLU 25 -5.793 0.171 -3.063
227 HB3 GLU 25 HB3 GLU 25 -6.441 1.756 -2.673
228 HG2 GLU 25 HG2 GLU 25 -7.072 1.741 -4.819
229 HG3 GLU 25 HG3 GLU 25 -5.416 2.271 -5.100
230 H LYS 26 H LYS 26 -3.720 3.831 -1.537
231 HA LYS 26 HA LYS 26 -3.176 2.603 0.952
232 HB2 LYS 26 HB2 LYS 26 -2.125 4.845 0.433
233 HB3 LYS 26 HB3 LYS 26 -3.705 5.535 0.221
234 HG2 LYS 26 HG2 LYS 26 -4.159 5.533 2.564
235 HG3 LYS 26 HG3 LYS 26 -2.702 4.596 2.909
236 HD2 LYS 26 HD2 LYS 26 -1.443 6.525 1.752
237 HD3 LYS 26 HD3 LYS 26 -2.939 7.436 2.008
238 HE2 LYS 26 HE2 LYS 26 -2.829 7.041 4.418
239 HE3 LYS 26 HE3 LYS 26 -1.391 6.035 4.190
240 HZ1 LYS 26 HZ1 LYS 26 -0.184 7.957 3.404
241 HZ2 LYS 26 HZ2 LYS 26 -0.839 8.278 4.929
242 HZ3 LYS 26 HZ3 LYS 26 -1.562 8.930 3.546
243 H ARG 27 H ARG 27 -4.416 2.028 2.585
244 HA ARG 27 HA ARG 27 -7.241 2.870 2.593
245 HB2 ARG 27 HB2 ARG 27 -6.273 0.288 2.268
246 HB3 ARG 27 HB3 ARG 27 -6.755 0.264 3.922
247 HG2 ARG 27 HG2 ARG 27 -8.327 0.535 1.400
248 HG3 ARG 27 HG3 ARG 27 -8.638 -0.433 2.823
249 HD2 ARG 27 HD2 ARG 27 -9.634 1.319 3.963
250 HD3 ARG 27 HD3 ARG 27 -8.836 2.541 2.976
251 HE ARG 27 HE ARG 27 -11.303 1.175 2.398
252 HH11 ARG 27 HH11 ARG 27 -8.628 2.979 1.033
253 HH12 ARG 27 HH12 ARG 27 -9.520 3.481 -0.362
254 HH21 ARG 27 HH21 ARG 27 -12.472 1.841 0.556
255 HH22 ARG 27 HH22 ARG 27 -11.701 2.836 -0.633
256 H TRP 28 H TRP 28 -8.243 2.415 4.742
257 HA TRP 28 HA TRP 28 -6.669 3.717 6.812
258 HB2 TRP 28 HB2 TRP 28 -8.938 4.549 6.323
259 HB3 TRP 28 HB3 TRP 28 -9.605 2.979 6.733
260 HD1 TRP 28 HD1 TRP 28 -10.936 3.434 8.841
261 HE1 TRP 28 HE1 TRP 28 -10.455 4.441 11.144
262 HE3 TRP 28 HE3 TRP 28 -6.220 5.174 7.975
263 HZ2 TRP 28 HZ2 TRP 28 -8.345 5.808 12.439
264 HZ3 TRP 28 HZ3 TRP 28 -5.037 6.325 9.797
265 HH2 TRP 28 HH2 TRP 28 -6.077 6.636 11.981
266 H ASP 29 H ASP 29 -6.164 2.842 8.785
267 HA ASP 29 HA ASP 29 -6.763 -0.023 9.166
268 HB2 ASP 29 HB2 ASP 29 -4.311 0.693 8.677
269 HB3 ASP 29 HB3 ASP 29 -4.313 1.286 10.326
Start of MODEL 12
1 H1 ARG 1 H1 ARG 1 -5.414 3.527 11.468
2 H2 ARG 1 H2 ARG 1 -4.485 3.871 12.868
3 H3 ARG 1 H3 ARG 1 -4.274 2.384 12.037
4 HA ARG 1 HA ARG 1 -3.477 5.092 11.244
5 HB2 ARG 1 HB2 ARG 1 -2.231 2.564 12.084
6 HB3 ARG 1 HB3 ARG 1 -1.513 3.236 10.634
7 HG2 ARG 1 HG2 ARG 1 -1.058 5.332 11.826
8 HG3 ARG 1 HG3 ARG 1 -1.776 4.647 13.289
9 HD2 ARG 1 HD2 ARG 1 0.506 3.313 11.873
10 HD3 ARG 1 HD3 ARG 1 0.769 4.583 13.065
11 HE ARG 1 HE ARG 1 -0.801 2.894 14.417
12 HH11 ARG 1 HH11 ARG 1 2.073 2.315 12.498
13 HH12 ARG 1 HH12 ARG 1 2.558 0.934 13.422
14 HH21 ARG 1 HH21 ARG 1 -0.154 1.074 15.628
15 HH22 ARG 1 HH22 ARG 1 1.294 0.228 15.197
16 H TRP 2 H TRP 2 -2.309 5.100 9.112
17 HA TRP 2 HA TRP 2 -4.031 3.829 7.109
18 HB2 TRP 2 HB2 TRP 2 -2.240 6.241 6.983
19 HB3 TRP 2 HB3 TRP 2 -3.106 5.616 5.624
20 HD1 TRP 2 HD1 TRP 2 -3.401 8.110 8.198
21 HE1 TRP 2 HE1 TRP 2 -5.829 8.973 8.396
22 HE3 TRP 2 HE3 TRP 2 -5.680 4.491 5.537
23 HZ2 TRP 2 HZ2 TRP 2 -8.405 8.171 7.491
24 HZ3 TRP 2 HZ3 TRP 2 -8.120 4.574 5.205
25 HH2 TRP 2 HH2 TRP 2 -9.459 6.379 6.173
26 H PHE 3 H PHE 3 -3.155 2.919 5.208
27 HA PHE 3 HA PHE 3 -0.367 2.704 4.768
28 HB2 PHE 3 HB2 PHE 3 -0.080 0.311 4.960
29 HB3 PHE 3 HB3 PHE 3 -0.422 1.095 6.479
30 HD1 PHE 3 HD1 PHE 3 -3.167 1.083 6.946
31 HD2 PHE 3 HD2 PHE 3 -0.931 -1.693 4.628
32 HE1 PHE 3 HE1 PHE 3 -4.969 -0.581 7.195
33 HE2 PHE 3 HE2 PHE 3 -2.710 -3.367 4.885
34 HZ PHE 3 HZ PHE 3 -4.744 -2.803 6.166
35 H TYR 4 H TYR 4 0.185 1.406 2.890
36 HA TYR 4 HA TYR 4 -1.979 1.729 0.991
37 HB2 TYR 4 HB2 TYR 4 0.885 1.435 0.211
38 HB3 TYR 4 HB3 TYR 4 -0.376 2.418 -0.438
39 HD1 TYR 4 HD2 TYR 4 -0.815 3.406 2.767
40 HD2 TYR 4 HD1 TYR 4 2.247 3.512 -0.221
41 HE1 TYR 4 HE2 TYR 4 0.146 5.267 3.880
42 HE2 TYR 4 HE1 TYR 4 3.216 5.446 0.924
43 HH TYR 4 HH TYR 4 1.925 7.385 2.755
44 H PHE 5 H PHE 5 -2.769 0.176 -0.183
45 HA PHE 5 HA PHE 5 -1.547 -2.495 -0.037
46 HB2 PHE 5 HB2 PHE 5 -3.793 -2.208 1.024
47 HB3 PHE 5 HB3 PHE 5 -4.446 -1.818 -0.543
48 HD1 PHE 5 HD2 PHE 5 -2.178 -4.497 0.753
49 HD2 PHE 5 HD1 PHE 5 -5.647 -3.494 -1.483
50 HE1 PHE 5 HE2 PHE 5 -2.521 -6.863 0.226
51 HE2 PHE 5 HE1 PHE 5 -5.990 -5.852 -2.027
52 HZ PHE 5 HZ PHE 5 -4.423 -7.525 -1.181
53 H ASN 6 H ASN 6 -0.780 -3.300 -1.911
54 HA ASN 6 HA ASN 6 -1.744 -2.037 -4.378
55 HB2 ASN 6 HB2 ASN 6 0.742 -1.966 -3.947
56 HB3 ASN 6 HB3 ASN 6 0.750 -3.705 -3.900
57 HD21 ASN 6 HD21 ASN 6 -0.094 -0.952 -6.061
58 HD22 ASN 6 HD22 ASN 6 0.247 -1.784 -7.529
59 H ARG 7 H ARG 7 -3.566 -3.107 -4.690
60 HA ARG 7 HA ARG 7 -4.218 -5.738 -4.307
61 HB2 ARG 7 HB2 ARG 7 -6.133 -5.300 -5.574
62 HB3 ARG 7 HB3 ARG 7 -5.632 -3.754 -4.905
63 HG2 ARG 7 HG2 ARG 7 -4.867 -2.955 -6.885
64 HG3 ARG 7 HG3 ARG 7 -4.713 -4.547 -7.602
65 HD2 ARG 7 HD2 ARG 7 -7.179 -4.769 -7.650
66 HD3 ARG 7 HD3 ARG 7 -7.319 -3.136 -6.963
67 HE ARG 7 HE ARG 7 -5.745 -3.165 -9.405
68 HH11 ARG 7 HH11 ARG 7 -9.037 -3.146 -8.158
69 HH12 ARG 7 HH12 ARG 7 -9.697 -2.413 -9.580
70 HH21 ARG 7 HH21 ARG 7 -6.636 -2.204 -11.263
71 HH22 ARG 7 HH22 ARG 7 -8.336 -1.880 -11.344
72 H ILE 8 H ILE 8 -2.245 -4.480 -6.840
73 HA ILE 8 HA ILE 8 -2.740 -6.497 -8.784
74 HB ILE 8 HB ILE 8 -0.357 -4.661 -8.408
75 HG12 ILE 8 HG12 ILE 8 -2.834 -3.883 -9.215
76 HG13 ILE 8 HG13 ILE 8 -1.346 -3.114 -9.727
77 HG21 ILE 8 HG21 ILE 8 -0.936 -6.468 -10.749
78 HG22 ILE 8 HG22 ILE 8 0.386 -6.633 -9.594
79 HG23 ILE 8 HG23 ILE 8 0.336 -5.249 -10.683
80 HD11 ILE 8 HD11 ILE 8 -1.927 -3.480 -11.816
81 HD12 ILE 8 HD12 ILE 8 -3.339 -4.401 -11.305
82 HD13 ILE 8 HD13 ILE 8 -1.792 -5.215 -11.541
83 H THR 9 H THR 9 -0.141 -6.107 -6.376
84 HA THR 9 HA THR 9 0.599 -8.901 -6.844
85 HB THR 9 HB THR 9 2.733 -8.415 -5.935
86 HG1 THR 9 HG1 THR 9 3.206 -6.459 -4.969
87 HG21 THR 9 HG21 THR 9 2.194 -7.567 -8.235
88 HG22 THR 9 HG22 THR 9 3.579 -6.821 -7.432
89 HG23 THR 9 HG23 THR 9 2.030 -5.972 -7.501
90 H GLY 10 H GLY 10 -0.778 -6.837 -4.566
91 HA2 GLY 10 HA2 GLY 10 -2.032 -7.464 -2.697
92 HA3 GLY 10 HA3 GLY 10 -1.225 -9.003 -2.747
93 H LYS 11 H LYS 11 0.912 -6.302 -2.943
94 HA LYS 11 HA LYS 11 1.942 -6.897 -0.311
95 HB2 LYS 11 HB2 LYS 11 2.902 -5.057 -2.504
96 HB3 LYS 11 HB3 LYS 11 3.768 -5.380 -1.020
97 HG2 LYS 11 HG2 LYS 11 3.006 -7.614 -2.848
98 HG3 LYS 11 HG3 LYS 11 4.427 -6.628 -3.182
99 HD2 LYS 11 HD2 LYS 11 3.936 -8.152 -0.622
100 HD3 LYS 11 HD3 LYS 11 4.960 -8.697 -1.946
101 HE2 LYS 11 HE2 LYS 11 5.438 -6.033 -0.678
102 HE3 LYS 11 HE3 LYS 11 6.023 -7.501 0.101
103 HZ1 LYS 11 HZ1 LYS 11 6.692 -6.610 -2.654
104 HZ2 LYS 11 HZ2 LYS 11 7.234 -8.039 -1.930
105 HZ3 LYS 11 HZ3 LYS 11 7.718 -6.543 -1.310
106 H ARG 12 H ARG 12 2.336 -5.180 1.269
107 HA ARG 12 HA ARG 12 0.945 -2.719 0.979
108 HB2 ARG 12 HB2 ARG 12 -0.605 -3.204 2.779
109 HB3 ARG 12 HB3 ARG 12 -0.832 -4.287 1.440
110 HG2 ARG 12 HG2 ARG 12 0.642 -4.964 3.966
111 HG3 ARG 12 HG3 ARG 12 -1.047 -5.333 3.667
112 HD2 ARG 12 HD2 ARG 12 -0.349 -7.271 2.829
113 HD3 ARG 12 HD3 ARG 12 0.211 -6.347 1.438
114 HE ARG 12 HE ARG 12 2.203 -6.285 3.403
115 HH11 ARG 12 HH11 ARG 12 0.682 -8.584 1.246
116 HH12 ARG 12 HH12 ARG 12 2.084 -9.593 1.133
117 HH21 ARG 12 HH21 ARG 12 4.049 -7.618 3.250
118 HH22 ARG 12 HH22 ARG 12 3.995 -9.046 2.271
119 H GLN 13 H GLN 13 1.765 -1.164 2.345
120 HA GLN 13 HA GLN 13 2.918 -1.826 4.879
121 HB2 GLN 13 HB2 GLN 13 4.801 -0.096 3.766
122 HB3 GLN 13 HB3 GLN 13 5.040 -1.693 4.389
123 HG2 GLN 13 HG2 GLN 13 5.966 -1.251 2.150
124 HG3 GLN 13 HG3 GLN 13 4.942 -2.610 2.316
125 HE21 GLN 13 HE21 GLN 13 4.615 0.784 1.334
126 HE22 GLN 13 HE22 GLN 13 3.504 0.448 0.071
127 H PHE 14 H PHE 14 4.030 0.207 5.711
128 HA PHE 14 HA PHE 14 2.040 2.382 5.658
129 HB2 PHE 14 HB2 PHE 14 3.605 1.345 7.752
130 HB3 PHE 14 HB3 PHE 14 4.394 2.857 7.328
131 HD1 PHE 14 HD1 PHE 14 3.101 4.976 7.457
132 HD2 PHE 14 HD2 PHE 14 1.534 1.278 8.817
133 HE1 PHE 14 HE1 PHE 14 1.388 6.172 8.717
134 HE2 PHE 14 HE2 PHE 14 -0.170 2.445 10.076
135 HZ PHE 14 HZ PHE 14 -0.255 4.909 10.041
136 H GLU 15 H GLU 15 5.028 1.460 4.267
137 HA GLU 15 HA GLU 15 5.919 4.142 3.666
138 HB2 GLU 15 HB2 GLU 15 7.101 1.713 4.136
139 HB3 GLU 15 HB3 GLU 15 7.276 1.917 2.443
140 HG2 GLU 15 HG2 GLU 15 7.907 4.343 3.749
141 HG3 GLU 15 HG3 GLU 15 8.763 3.028 4.542
142 H ARG 16 H ARG 16 6.992 4.003 1.474
143 HA ARG 16 HA ARG 16 5.004 4.167 -0.538
144 HB2 ARG 16 HB2 ARG 16 6.977 5.582 -0.517
145 HB3 ARG 16 HB3 ARG 16 8.033 4.187 -0.512
146 HG2 ARG 16 HG2 ARG 16 6.980 3.604 -2.732
147 HG3 ARG 16 HG3 ARG 16 6.400 5.268 -2.765
148 HD2 ARG 16 HD2 ARG 16 8.449 5.293 -3.933
149 HD3 ARG 16 HD3 ARG 16 8.812 5.946 -2.336
150 HE ARG 16 HE ARG 16 9.244 3.117 -2.516
151 HH11 ARG 16 HH11 ARG 16 10.688 6.245 -3.142
152 HH12 ARG 16 HH12 ARG 16 12.311 5.651 -3.041
153 HH21 ARG 16 HH21 ARG 16 11.383 2.343 -2.382
154 HH22 ARG 16 HH22 ARG 16 12.706 3.437 -2.608
155 HA PRO 17 HA PRO 17 4.296 0.333 -2.472
156 HB2 PRO 17 HB2 PRO 17 6.317 0.981 -4.518
157 HB3 PRO 17 HB3 PRO 17 4.600 0.623 -4.706
158 HG2 PRO 17 HG2 PRO 17 5.903 3.202 -4.457
159 HG3 PRO 17 HG3 PRO 17 4.229 2.848 -4.889
160 HD2 PRO 17 HD2 PRO 17 4.890 4.051 -2.610
161 HD3 PRO 17 HD3 PRO 17 3.583 2.879 -2.716
162 H LYS 18 H LYS 18 5.041 -1.696 -2.447
163 HA LYS 18 HA LYS 18 7.767 -2.109 -1.514
164 HB2 LYS 18 HB2 LYS 18 5.304 -3.546 -1.052
165 HB3 LYS 18 HB3 LYS 18 6.404 -4.612 -1.915
166 HG2 LYS 18 HG2 LYS 18 6.681 -3.394 0.793
167 HG3 LYS 18 HG3 LYS 18 6.850 -5.074 0.295
168 HD2 LYS 18 HD2 LYS 18 9.055 -4.713 0.391
169 HD3 LYS 18 HD3 LYS 18 8.850 -3.828 -1.120
170 HE2 LYS 18 HE2 LYS 18 10.040 -2.373 0.297
171 HE3 LYS 18 HE3 LYS 18 8.380 -1.783 0.313
172 HZ1 LYS 18 HZ1 LYS 18 9.519 -3.567 2.396
173 HZ2 LYS 18 HZ2 LYS 18 8.021 -2.782 2.432
174 HZ3 LYS 18 HZ3 LYS 18 9.448 -1.881 2.531
175 H GLY 19 H GLY 19 7.186 -1.095 -4.069
176 HA2 GLY 19 HA2 GLY 19 8.718 -1.414 -5.916
177 HA3 GLY 19 HA3 GLY 19 8.346 -3.131 -5.825
178 H LEU 20 H LEU 20 5.933 -0.437 -5.595
179 HA LEU 20 HA LEU 20 4.983 -1.094 -8.259
180 HB2 LEU 20 HB2 LEU 20 3.406 -1.335 -5.747
181 HB3 LEU 20 HB3 LEU 20 2.732 -1.525 -7.357
182 HG LEU 20 HG LEU 20 5.002 -3.302 -6.622
183 HD11 LEU 20 HD11 LEU 20 2.715 -4.612 -5.651
184 HD12 LEU 20 HD12 LEU 20 2.784 -3.038 -4.865
185 HD13 LEU 20 HD13 LEU 20 4.161 -4.135 -4.766
186 HD21 LEU 20 HD21 LEU 20 3.683 -4.999 -7.769
187 HD22 LEU 20 HD22 LEU 20 3.894 -3.584 -8.786
188 HD23 LEU 20 HD23 LEU 20 2.355 -3.863 -7.968
189 H VAL 21 H VAL 21 2.613 0.289 -8.024
190 HA VAL 21 HA VAL 21 2.922 2.961 -7.088
191 HB VAL 21 HB VAL 21 2.561 3.159 -9.771
192 HG11 VAL 21 HG11 VAL 21 3.232 5.011 -8.295
193 HG12 VAL 21 HG12 VAL 21 4.344 4.826 -9.651
194 HG13 VAL 21 HG13 VAL 21 4.786 4.211 -8.058
195 HG21 VAL 21 HG21 VAL 21 3.827 1.067 -9.580
196 HG22 VAL 21 HG22 VAL 21 5.167 2.048 -9.011
197 HG23 VAL 21 HG23 VAL 21 4.549 2.281 -10.655
198 H LYS 22 H LYS 22 1.422 0.993 -9.462
199 HA LYS 22 HA LYS 22 -1.163 2.330 -9.114
200 HB2 LYS 22 HB2 LYS 22 -0.471 0.444 -11.350
201 HB3 LYS 22 HB3 LYS 22 -1.872 1.472 -11.231
202 HG2 LYS 22 HG2 LYS 22 0.852 2.117 -12.171
203 HG3 LYS 22 HG3 LYS 22 -0.712 2.723 -12.691
204 HD2 LYS 22 HD2 LYS 22 -0.787 3.994 -10.483
205 HD3 LYS 22 HD3 LYS 22 0.927 3.605 -10.334
206 HE2 LYS 22 HE2 LYS 22 0.089 4.741 -12.922
207 HE3 LYS 22 HE3 LYS 22 -0.021 5.827 -11.538
208 HZ1 LYS 22 HZ1 LYS 22 2.302 5.395 -11.053
209 HZ2 LYS 22 HZ2 LYS 22 2.131 5.982 -12.628
210 HZ3 LYS 22 HZ3 LYS 22 2.411 4.336 -12.367
211 H GLY 23 H GLY 23 -2.878 1.157 -8.495
212 HA2 GLY 23 HA2 GLY 23 -3.956 -1.085 -8.096
213 HA3 GLY 23 HA3 GLY 23 -2.342 -1.687 -7.787
214 H TRP 24 H TRP 24 -1.633 0.819 -6.383
215 HA TRP 24 HA TRP 24 -1.968 0.029 -3.782
216 HB2 TRP 24 HB2 TRP 24 -1.168 2.633 -5.072
217 HB3 TRP 24 HB3 TRP 24 -1.087 2.376 -3.349
218 HD1 TRP 24 HD1 TRP 24 1.061 2.149 -6.279
219 HE1 TRP 24 HE1 TRP 24 3.039 0.673 -5.845
220 HE3 TRP 24 HE3 TRP 24 -0.471 -0.097 -1.940
221 HZ2 TRP 24 HZ2 TRP 24 3.911 -1.244 -3.999
222 HZ3 TRP 24 HZ3 TRP 24 0.997 -1.827 -0.978
223 HH2 TRP 24 HH2 TRP 24 3.156 -2.338 -1.945
224 H GLU 25 H GLU 25 -3.274 0.627 -2.100
225 HA GLU 25 HA GLU 25 -5.240 2.740 -2.457
226 HB2 GLU 25 HB2 GLU 25 -5.950 -0.078 -2.737
227 HB3 GLU 25 HB3 GLU 25 -6.830 0.696 -1.426
228 HG2 GLU 25 HG2 GLU 25 -8.017 2.025 -2.816
229 HG3 GLU 25 HG3 GLU 25 -6.705 2.162 -3.986
230 H LYS 26 H LYS 26 -4.686 3.879 -0.694
231 HA LYS 26 HA LYS 26 -3.741 2.620 1.655
232 HB2 LYS 26 HB2 LYS 26 -2.894 4.920 1.327
233 HB3 LYS 26 HB3 LYS 26 -4.504 5.510 1.023
234 HG2 LYS 26 HG2 LYS 26 -5.095 5.340 3.354
235 HG3 LYS 26 HG3 LYS 26 -3.512 4.646 3.729
236 HD2 LYS 26 HD2 LYS 26 -2.734 6.700 4.027
237 HD3 LYS 26 HD3 LYS 26 -3.008 7.005 2.303
238 HE2 LYS 26 HE2 LYS 26 -5.196 7.899 2.697
239 HE3 LYS 26 HE3 LYS 26 -5.180 7.322 4.369
240 HZ1 LYS 26 HZ1 LYS 26 -4.769 9.703 4.228
241 HZ2 LYS 26 HZ2 LYS 26 -3.399 9.432 3.275
242 HZ3 LYS 26 HZ3 LYS 26 -3.431 8.897 4.879
243 H ARG 27 H ARG 27 -4.777 1.818 3.360
244 HA ARG 27 HA ARG 27 -7.626 2.437 3.730
245 HB2 ARG 27 HB2 ARG 27 -6.653 0.060 2.840
246 HB3 ARG 27 HB3 ARG 27 -6.690 -0.296 4.525
247 HG2 ARG 27 HG2 ARG 27 -8.731 -0.444 2.559
248 HG3 ARG 27 HG3 ARG 27 -8.842 -0.831 4.252
249 HD2 ARG 27 HD2 ARG 27 -10.592 0.721 3.630
250 HD3 ARG 27 HD3 ARG 27 -9.486 1.489 4.752
251 HE ARG 27 HE ARG 27 -8.984 2.020 1.943
252 HH11 ARG 27 HH11 ARG 27 -10.534 3.093 4.895
253 HH12 ARG 27 HH12 ARG 27 -10.666 4.736 4.371
254 HH21 ARG 27 HH21 ARG 27 -9.166 4.189 1.260
255 HH22 ARG 27 HH22 ARG 27 -9.892 5.358 2.310
256 H TRP 28 H TRP 28 -8.324 1.534 5.914
257 HA TRP 28 HA TRP 28 -6.683 2.783 7.941
258 HB2 TRP 28 HB2 TRP 28 -9.243 3.011 7.704
259 HB3 TRP 28 HB3 TRP 28 -9.320 1.418 8.432
260 HD1 TRP 28 HD1 TRP 28 -10.120 1.796 10.787
261 HE1 TRP 28 HE1 TRP 28 -9.466 3.299 12.754
262 HE3 TRP 28 HE3 TRP 28 -6.624 4.676 8.446
263 HZ2 TRP 28 HZ2 TRP 28 -7.694 5.447 13.253
264 HZ3 TRP 28 HZ3 TRP 28 -5.495 6.440 9.736
265 HH2 TRP 28 HH2 TRP 28 -6.020 6.818 12.089
266 H ASP 29 H ASP 29 -6.043 1.806 9.894
267 HA ASP 29 HA ASP 29 -5.826 -1.135 9.799
268 HB2 ASP 29 HB2 ASP 29 -3.671 0.269 9.485
269 HB3 ASP 29 HB3 ASP 29 -3.801 0.608 11.191
Start of MODEL 13
1 H1 ARG 1 H1 ARG 1 -3.363 3.812 13.233
2 H2 ARG 1 H2 ARG 1 -4.360 2.731 12.349
3 H3 ARG 1 H3 ARG 1 -4.551 4.426 12.159
4 HA ARG 1 HA ARG 1 -2.377 4.606 11.211
5 HB2 ARG 1 HB2 ARG 1 -2.136 2.004 12.399
6 HB3 ARG 1 HB3 ARG 1 -1.965 1.787 10.669
7 HG2 ARG 1 HG2 ARG 1 -0.321 3.830 12.141
8 HG3 ARG 1 HG3 ARG 1 0.139 2.134 12.082
9 HD2 ARG 1 HD2 ARG 1 -0.435 2.692 9.456
10 HD3 ARG 1 HD3 ARG 1 0.312 4.186 10.020
11 HE ARG 1 HE ARG 1 1.578 1.612 9.684
12 HH11 ARG 1 HH11 ARG 1 1.798 4.768 11.188
13 HH12 ARG 1 HH12 ARG 1 3.514 4.682 11.396
14 HH21 ARG 1 HH21 ARG 1 3.836 1.507 9.962
15 HH22 ARG 1 HH22 ARG 1 4.672 2.833 10.700
16 H TRP 2 H TRP 2 -1.832 3.844 9.004
17 HA TRP 2 HA TRP 2 -3.892 2.830 7.353
18 HB2 TRP 2 HB2 TRP 2 -5.006 4.634 7.562
19 HB3 TRP 2 HB3 TRP 2 -3.845 5.331 8.447
20 HD1 TRP 2 HD1 TRP 2 -2.441 7.109 7.528
21 HE1 TRP 2 HE1 TRP 2 -2.841 8.736 5.541
22 HE3 TRP 2 HE3 TRP 2 -5.910 4.422 5.205
23 HZ2 TRP 2 HZ2 TRP 2 -4.572 8.791 3.230
24 HZ3 TRP 2 HZ3 TRP 2 -6.995 5.268 3.219
25 HH2 TRP 2 HH2 TRP 2 -6.329 7.401 2.192
26 H PHE 3 H PHE 3 -3.028 2.041 5.779
27 HA PHE 3 HA PHE 3 -0.450 2.999 4.685
28 HB2 PHE 3 HB2 PHE 3 0.217 0.563 4.593
29 HB3 PHE 3 HB3 PHE 3 0.097 1.280 6.178
30 HD1 PHE 3 HD2 PHE 3 -1.930 0.601 7.652
31 HD2 PHE 3 HD1 PHE 3 -1.148 -1.057 3.813
32 HE1 PHE 3 HE2 PHE 3 -3.464 -1.232 8.126
33 HE2 PHE 3 HE1 PHE 3 -2.732 -2.883 4.269
34 HZ PHE 3 HZ PHE 3 -3.921 -2.952 6.421
35 H TYR 4 H TYR 4 0.194 1.441 2.705
36 HA TYR 4 HA TYR 4 -1.980 1.729 0.821
37 HB2 TYR 4 HB2 TYR 4 0.792 1.131 -0.032
38 HB3 TYR 4 HB3 TYR 4 -0.353 2.288 -0.615
39 HD1 TYR 4 HD2 TYR 4 -0.635 3.500 2.382
40 HD2 TYR 4 HD1 TYR 4 2.600 2.761 -0.334
41 HE1 TYR 4 HE2 TYR 4 0.569 5.259 3.381
42 HE2 TYR 4 HE1 TYR 4 3.858 4.556 0.756
43 HH TYR 4 HH TYR 4 2.745 6.898 2.363
44 H PHE 5 H PHE 5 -2.751 0.115 -0.411
45 HA PHE 5 HA PHE 5 -1.558 -2.564 -0.101
46 HB2 PHE 5 HB2 PHE 5 -3.876 -2.336 0.843
47 HB3 PHE 5 HB3 PHE 5 -4.454 -1.975 -0.761
48 HD1 PHE 5 HD1 PHE 5 -2.192 -4.569 0.708
49 HD2 PHE 5 HD2 PHE 5 -5.502 -3.712 -1.810
50 HE1 PHE 5 HE1 PHE 5 -2.364 -6.940 0.136
51 HE2 PHE 5 HE2 PHE 5 -5.686 -6.084 -2.381
52 HZ PHE 5 HZ PHE 5 -4.107 -7.688 -1.414
53 H ASN 6 H ASN 6 -0.574 -3.224 -1.949
54 HA ASN 6 HA ASN 6 -1.531 -2.029 -4.456
55 HB2 ASN 6 HB2 ASN 6 0.912 -1.753 -3.799
56 HB3 ASN 6 HB3 ASN 6 1.080 -3.473 -3.917
57 HD21 ASN 6 HD21 ASN 6 0.491 -0.493 -5.846
58 HD22 ASN 6 HD22 ASN 6 0.855 -1.214 -7.358
59 H ARG 7 H ARG 7 -3.256 -3.317 -4.773
60 HA ARG 7 HA ARG 7 -3.664 -5.968 -4.499
61 HB2 ARG 7 HB2 ARG 7 -5.437 -5.776 -6.051
62 HB3 ARG 7 HB3 ARG 7 -5.259 -4.227 -5.243
63 HG2 ARG 7 HG2 ARG 7 -4.360 -3.201 -7.066
64 HG3 ARG 7 HG3 ARG 7 -3.904 -4.712 -7.832
65 HD2 ARG 7 HD2 ARG 7 -6.300 -5.247 -8.190
66 HD3 ARG 7 HD3 ARG 7 -6.732 -3.680 -7.472
67 HE ARG 7 HE ARG 7 -4.883 -3.393 -9.693
68 HH11 ARG 7 HH11 ARG 7 -8.275 -3.847 -8.872
69 HH12 ARG 7 HH12 ARG 7 -8.848 -3.133 -10.342
70 HH21 ARG 7 HH21 ARG 7 -5.659 -2.460 -11.615
71 HH22 ARG 7 HH22 ARG 7 -7.363 -2.347 -11.900
72 H ILE 8 H ILE 8 -1.771 -4.485 -7.006
73 HA ILE 8 HA ILE 8 -1.740 -6.676 -8.817
74 HB ILE 8 HB ILE 8 0.233 -4.405 -8.430
75 HG12 ILE 8 HG12 ILE 8 -2.273 -4.158 -9.453
76 HG13 ILE 8 HG13 ILE 8 -0.916 -3.160 -9.930
77 HG21 ILE 8 HG21 ILE 8 1.435 -6.243 -9.404
78 HG22 ILE 8 HG22 ILE 8 1.181 -4.992 -10.620
79 HG23 ILE 8 HG23 ILE 8 0.191 -6.451 -10.638
80 HD11 ILE 8 HD11 ILE 8 -1.263 -3.764 -12.016
81 HD12 ILE 8 HD12 ILE 8 -2.516 -4.900 -11.523
82 HD13 ILE 8 HD13 ILE 8 -0.833 -5.421 -11.598
83 H THR 9 H THR 9 0.476 -5.703 -6.223
84 HA THR 9 HA THR 9 1.905 -8.239 -6.514
85 HB THR 9 HB THR 9 3.666 -7.242 -5.234
86 HG1 THR 9 HG1 THR 9 3.387 -5.035 -4.509
87 HG21 THR 9 HG21 THR 9 3.359 -6.575 -7.643
88 HG22 THR 9 HG22 THR 9 4.358 -5.508 -6.651
89 HG23 THR 9 HG23 THR 9 2.689 -5.064 -7.028
90 H GLY 10 H GLY 10 -0.354 -6.712 -4.590
91 HA2 GLY 10 HA2 GLY 10 -1.627 -7.445 -2.804
92 HA3 GLY 10 HA3 GLY 10 -0.727 -8.933 -2.879
93 H LYS 11 H LYS 11 1.303 -6.188 -2.630
94 HA LYS 11 HA LYS 11 1.966 -6.873 0.099
95 HB2 LYS 11 HB2 LYS 11 3.239 -4.917 -1.822
96 HB3 LYS 11 HB3 LYS 11 3.888 -5.412 -0.278
97 HG2 LYS 11 HG2 LYS 11 3.325 -7.475 -2.348
98 HG3 LYS 11 HG3 LYS 11 4.774 -6.482 -2.478
99 HD2 LYS 11 HD2 LYS 11 4.056 -8.050 -0.007
100 HD3 LYS 11 HD3 LYS 11 5.070 -8.686 -1.300
101 HE2 LYS 11 HE2 LYS 11 5.766 -6.049 -0.102
102 HE3 LYS 11 HE3 LYS 11 6.115 -7.512 0.816
103 HZ1 LYS 11 HZ1 LYS 11 8.005 -6.863 -0.522
104 HZ2 LYS 11 HZ2 LYS 11 7.073 -6.915 -1.932
105 HZ3 LYS 11 HZ3 LYS 11 7.389 -8.339 -1.075
106 H ARG 12 H ARG 12 2.146 -5.195 1.738
107 HA ARG 12 HA ARG 12 0.757 -2.746 1.278
108 HB2 ARG 12 HB2 ARG 12 -0.837 -3.235 3.062
109 HB3 ARG 12 HB3 ARG 12 -1.030 -4.298 1.704
110 HG2 ARG 12 HG2 ARG 12 0.432 -5.028 4.219
111 HG3 ARG 12 HG3 ARG 12 -1.283 -5.330 3.969
112 HD2 ARG 12 HD2 ARG 12 -0.700 -7.277 3.065
113 HD3 ARG 12 HD3 ARG 12 -0.085 -6.359 1.691
114 HE ARG 12 HE ARG 12 1.913 -6.398 3.621
115 HH11 ARG 12 HH11 ARG 12 0.221 -8.702 1.600
116 HH12 ARG 12 HH12 ARG 12 1.560 -9.796 1.514
117 HH21 ARG 12 HH21 ARG 12 3.674 -7.841 3.502
118 HH22 ARG 12 HH22 ARG 12 3.521 -9.308 2.594
119 H GLN 13 H GLN 13 1.563 -1.140 2.548
120 HA GLN 13 HA GLN 13 2.414 -1.524 5.195
121 HB2 GLN 13 HB2 GLN 13 4.716 -0.505 4.471
122 HB3 GLN 13 HB3 GLN 13 4.484 -2.204 4.741
123 HG2 GLN 13 HG2 GLN 13 5.763 -1.186 2.659
124 HG3 GLN 13 HG3 GLN 13 4.903 -2.669 2.628
125 HE21 GLN 13 HE21 GLN 13 4.245 0.752 1.966
126 HE22 GLN 13 HE22 GLN 13 3.254 0.442 0.601
127 H PHE 14 H PHE 14 3.641 0.369 5.998
128 HA PHE 14 HA PHE 14 2.245 2.825 5.289
129 HB2 PHE 14 HB2 PHE 14 2.918 2.004 7.726
130 HB3 PHE 14 HB3 PHE 14 4.508 2.626 7.290
131 HD1 PHE 14 HD1 PHE 14 0.974 3.700 7.062
132 HD2 PHE 14 HD2 PHE 14 4.970 4.755 7.986
133 HE1 PHE 14 HE1 PHE 14 0.223 5.955 7.684
134 HE2 PHE 14 HE2 PHE 14 4.242 7.013 8.616
135 HZ PHE 14 HZ PHE 14 1.864 7.608 8.464
136 H GLU 15 H GLU 15 5.251 1.181 4.729
137 HA GLU 15 HA GLU 15 6.864 3.399 4.031
138 HB2 GLU 15 HB2 GLU 15 7.222 0.734 4.469
139 HB3 GLU 15 HB3 GLU 15 7.446 0.858 2.774
140 HG2 GLU 15 HG2 GLU 15 8.848 2.956 4.065
141 HG3 GLU 15 HG3 GLU 15 9.243 1.431 4.849
142 H ARG 16 H ARG 16 7.963 3.024 1.914
143 HA ARG 16 HA ARG 16 6.347 4.010 -0.141
144 HB2 ARG 16 HB2 ARG 16 8.698 4.546 0.040
145 HB3 ARG 16 HB3 ARG 16 9.143 2.854 -0.062
146 HG2 ARG 16 HG2 ARG 16 8.125 2.836 -2.326
147 HG3 ARG 16 HG3 ARG 16 8.050 4.594 -2.240
148 HD2 ARG 16 HD2 ARG 16 10.374 4.804 -2.212
149 HD3 ARG 16 HD3 ARG 16 10.614 3.128 -1.720
150 HE ARG 16 HE ARG 16 10.333 4.126 -4.392
151 HH11 ARG 16 HH11 ARG 16 9.875 1.309 -2.359
152 HH12 ARG 16 HH12 ARG 16 9.982 0.191 -3.676
153 HH21 ARG 16 HH21 ARG 16 10.473 2.646 -6.121
154 HH22 ARG 16 HH22 ARG 16 10.322 0.949 -5.810
155 HA PRO 17 HA PRO 17 4.336 0.758 -2.164
156 HB2 PRO 17 HB2 PRO 17 5.731 0.966 -4.648
157 HB3 PRO 17 HB3 PRO 17 4.132 1.575 -4.230
158 HG2 PRO 17 HG2 PRO 17 6.747 2.939 -4.154
159 HG3 PRO 17 HG3 PRO 17 5.155 3.611 -4.516
160 HD2 PRO 17 HD2 PRO 17 6.275 4.129 -2.228
161 HD3 PRO 17 HD3 PRO 17 4.585 3.620 -2.283
162 H LYS 18 H LYS 18 4.634 -1.220 -1.716
163 HA LYS 18 HA LYS 18 7.056 -2.642 -2.489
164 HB2 LYS 18 HB2 LYS 18 4.883 -3.186 -0.440
165 HB3 LYS 18 HB3 LYS 18 5.708 -4.517 -1.197
166 HG2 LYS 18 HG2 LYS 18 7.032 -2.328 0.370
167 HG3 LYS 18 HG3 LYS 18 6.713 -3.966 0.939
168 HD2 LYS 18 HD2 LYS 18 8.126 -4.789 -0.979
169 HD3 LYS 18 HD3 LYS 18 8.588 -3.109 -1.258
170 HE2 LYS 18 HE2 LYS 18 9.913 -3.028 0.575
171 HE3 LYS 18 HE3 LYS 18 8.864 -4.090 1.512
172 HZ1 LYS 18 HZ1 LYS 18 10.583 -5.068 -0.697
173 HZ2 LYS 18 HZ2 LYS 18 9.781 -5.985 0.476
174 HZ3 LYS 18 HZ3 LYS 18 11.097 -5.018 0.915
175 H GLY 19 H GLY 19 5.297 -1.533 -4.290
176 HA2 GLY 19 HA2 GLY 19 4.497 -3.743 -5.915
177 HA3 GLY 19 HA3 GLY 19 3.140 -2.824 -5.282
178 H LEU 20 H LEU 20 4.659 -0.210 -5.378
179 HA LEU 20 HA LEU 20 5.329 1.414 -6.800
180 HB2 LEU 20 HB2 LEU 20 5.777 -0.978 -8.264
181 HB3 LEU 20 HB3 LEU 20 5.395 0.322 -9.357
182 HG LEU 20 HG LEU 20 7.613 0.555 -7.303
183 HD11 LEU 20 HD11 LEU 20 8.044 -1.470 -8.550
184 HD12 LEU 20 HD12 LEU 20 9.170 -0.197 -9.021
185 HD13 LEU 20 HD13 LEU 20 7.813 -0.607 -10.071
186 HD21 LEU 20 HD21 LEU 20 6.592 2.166 -9.521
187 HD22 LEU 20 HD22 LEU 20 8.320 1.848 -9.639
188 HD23 LEU 20 HD23 LEU 20 7.669 2.620 -8.197
189 H VAL 21 H VAL 21 3.638 2.513 -6.487
190 HA VAL 21 HA VAL 21 1.772 3.783 -6.866
191 HB VAL 21 HB VAL 21 2.780 3.444 -9.495
192 HG11 VAL 21 HG11 VAL 21 2.262 5.928 -9.631
193 HG12 VAL 21 HG12 VAL 21 1.340 5.699 -8.145
194 HG13 VAL 21 HG13 VAL 21 0.853 4.867 -9.622
195 HG21 VAL 21 HG21 VAL 21 3.739 4.438 -7.002
196 HG22 VAL 21 HG22 VAL 21 4.199 5.384 -8.446
197 HG23 VAL 21 HG23 VAL 21 4.587 3.652 -8.330
198 H LYS 22 H LYS 22 1.742 1.462 -9.425
199 HA LYS 22 HA LYS 22 -1.137 1.772 -9.712
200 HB2 LYS 22 HB2 LYS 22 0.382 -0.278 -11.230
201 HB3 LYS 22 HB3 LYS 22 -1.101 0.517 -11.669
202 HG2 LYS 22 HG2 LYS 22 0.318 1.551 -13.107
203 HG3 LYS 22 HG3 LYS 22 0.413 2.664 -11.747
204 HD2 LYS 22 HD2 LYS 22 2.623 2.135 -12.712
205 HD3 LYS 22 HD3 LYS 22 2.496 1.642 -11.026
206 HE2 LYS 22 HE2 LYS 22 2.986 -0.458 -11.566
207 HE3 LYS 22 HE3 LYS 22 1.642 -0.511 -12.705
208 HZ1 LYS 22 HZ1 LYS 22 4.370 0.510 -13.296
209 HZ2 LYS 22 HZ2 LYS 22 3.081 0.457 -14.390
210 HZ3 LYS 22 HZ3 LYS 22 3.742 -0.981 -13.795
211 H GLY 23 H GLY 23 -2.533 0.585 -8.764
212 HA2 GLY 23 HA2 GLY 23 -3.350 -1.706 -8.165
213 HA3 GLY 23 HA3 GLY 23 -1.708 -2.058 -7.701
214 H TRP 24 H TRP 24 -1.651 0.803 -6.495
215 HA TRP 24 HA TRP 24 -2.055 -0.017 -3.881
216 HB2 TRP 24 HB2 TRP 24 -1.483 2.667 -5.093
217 HB3 TRP 24 HB3 TRP 24 -1.511 2.374 -3.372
218 HD1 TRP 24 HD1 TRP 24 0.816 2.505 -6.086
219 HE1 TRP 24 HE1 TRP 24 2.963 1.246 -5.601
220 HE3 TRP 24 HE3 TRP 24 -0.723 -0.055 -1.986
221 HZ2 TRP 24 HZ2 TRP 24 3.880 -0.665 -3.725
222 HZ3 TRP 24 HZ3 TRP 24 0.829 -1.668 -0.965
223 HH2 TRP 24 HH2 TRP 24 3.085 -1.930 -1.779
224 H GLU 25 H GLU 25 -3.367 0.513 -2.287
225 HA GLU 25 HA GLU 25 -5.540 2.377 -2.620
226 HB2 GLU 25 HB2 GLU 25 -6.011 -0.583 -2.494
227 HB3 GLU 25 HB3 GLU 25 -7.120 0.514 -1.679
228 HG2 GLU 25 HG2 GLU 25 -8.186 0.724 -3.603
229 HG3 GLU 25 HG3 GLU 25 -6.784 1.629 -4.181
230 H LYS 26 H LYS 26 -4.471 3.436 -0.996
231 HA LYS 26 HA LYS 26 -3.584 2.171 1.343
232 HB2 LYS 26 HB2 LYS 26 -2.629 4.440 0.686
233 HB3 LYS 26 HB3 LYS 26 -4.220 5.136 0.833
234 HG2 LYS 26 HG2 LYS 26 -4.156 5.107 3.181
235 HG3 LYS 26 HG3 LYS 26 -2.748 4.056 3.232
236 HD2 LYS 26 HD2 LYS 26 -1.671 5.994 1.805
237 HD3 LYS 26 HD3 LYS 26 -2.931 6.947 2.606
238 HE2 LYS 26 HE2 LYS 26 -2.140 6.188 4.809
239 HE3 LYS 26 HE3 LYS 26 -0.904 5.211 4.020
240 HZ1 LYS 26 HZ1 LYS 26 0.106 7.214 4.742
241 HZ2 LYS 26 HZ2 LYS 26 -1.101 8.169 4.042
242 HZ3 LYS 26 HZ3 LYS 26 -0.021 7.317 3.058
243 H ARG 27 H ARG 27 -4.574 1.545 3.150
244 HA ARG 27 HA ARG 27 -7.431 2.260 3.466
245 HB2 ARG 27 HB2 ARG 27 -6.351 -0.300 3.204
246 HB3 ARG 27 HB3 ARG 27 -6.567 -0.211 4.910
247 HG2 ARG 27 HG2 ARG 27 -8.890 -0.368 4.680
248 HG3 ARG 27 HG3 ARG 27 -8.902 0.407 3.096
249 HD2 ARG 27 HD2 ARG 27 -9.423 -2.035 3.106
250 HD3 ARG 27 HD3 ARG 27 -8.121 -1.540 2.028
251 HE ARG 27 HE ARG 27 -7.205 -2.420 4.611
252 HH11 ARG 27 HH11 ARG 27 -8.116 -3.469 1.396
253 HH12 ARG 27 HH12 ARG 27 -7.185 -4.925 1.476
254 HH21 ARG 27 HH21 ARG 27 -5.981 -4.339 4.708
255 HH22 ARG 27 HH22 ARG 27 -5.974 -5.420 3.355
256 H TRP 28 H TRP 28 -8.267 2.118 5.560
257 HA TRP 28 HA TRP 28 -6.474 3.239 7.603
258 HB2 TRP 28 HB2 TRP 28 -8.514 4.558 6.879
259 HB3 TRP 28 HB3 TRP 28 -9.498 3.316 7.613
260 HD1 TRP 28 HD1 TRP 28 -10.105 3.729 9.981
261 HE1 TRP 28 HE1 TRP 28 -9.247 5.158 11.931
262 HE3 TRP 28 HE3 TRP 28 -6.094 5.781 7.670
263 HZ2 TRP 28 HZ2 TRP 28 -7.087 6.940 12.421
264 HZ3 TRP 28 HZ3 TRP 28 -4.622 7.307 8.947
265 HH2 TRP 28 HH2 TRP 28 -5.140 7.899 11.264
266 H ASP 29 H ASP 29 -5.811 1.893 9.101
267 HA ASP 29 HA ASP 29 -7.648 0.023 10.339
268 HB2 ASP 29 HB2 ASP 29 -6.070 -0.829 8.240
269 HB3 ASP 29 HB3 ASP 29 -5.131 -1.304 9.655
Start of MODEL 14
1 H1 ARG 1 H1 ARG 1 -3.667 3.469 11.612
2 H2 ARG 1 H2 ARG 1 -2.410 3.630 12.769
3 H3 ARG 1 H3 ARG 1 -2.312 2.421 11.554
4 HA ARG 1 HA ARG 1 -2.391 5.321 11.032
5 HB2 ARG 1 HB2 ARG 1 -0.311 4.489 12.340
6 HB3 ARG 1 HB3 ARG 1 -0.024 3.380 11.012
7 HG2 ARG 1 HG2 ARG 1 0.399 5.209 9.490
8 HG3 ARG 1 HG3 ARG 1 0.021 6.392 10.748
9 HD2 ARG 1 HD2 ARG 1 1.966 4.599 11.777
10 HD3 ARG 1 HD3 ARG 1 2.498 5.132 10.183
11 HE ARG 1 HE ARG 1 2.723 7.286 10.989
12 HH11 ARG 1 HH11 ARG 1 1.225 5.264 13.429
13 HH12 ARG 1 HH12 ARG 1 1.412 6.437 14.687
14 HH21 ARG 1 HH21 ARG 1 2.963 8.824 12.654
15 HH22 ARG 1 HH22 ARG 1 2.398 8.456 14.249
16 H TRP 2 H TRP 2 -2.254 5.866 8.907
17 HA TRP 2 HA TRP 2 -3.434 4.298 6.979
18 HB2 TRP 2 HB2 TRP 2 -1.557 6.636 6.711
19 HB3 TRP 2 HB3 TRP 2 -2.380 5.946 5.356
20 HD1 TRP 2 HD1 TRP 2 -2.824 8.317 8.121
21 HE1 TRP 2 HE1 TRP 2 -5.202 9.328 8.062
22 HE3 TRP 2 HE3 TRP 2 -4.837 5.220 4.692
23 HZ2 TRP 2 HZ2 TRP 2 -7.636 8.834 6.680
24 HZ3 TRP 2 HZ3 TRP 2 -7.193 5.527 4.015
25 HH2 TRP 2 HH2 TRP 2 -8.562 7.299 4.995
26 H PHE 3 H PHE 3 -2.623 3.319 5.036
27 HA PHE 3 HA PHE 3 0.153 2.795 4.718
28 HB2 PHE 3 HB2 PHE 3 0.104 0.357 5.032
29 HB3 PHE 3 HB3 PHE 3 -0.201 1.222 6.484
30 HD1 PHE 3 HD2 PHE 3 -2.926 1.590 6.856
31 HD2 PHE 3 HD1 PHE 3 -1.041 -1.509 4.634
32 HE1 PHE 3 HE2 PHE 3 -4.933 0.183 7.100
33 HE2 PHE 3 HE1 PHE 3 -3.033 -2.921 4.879
34 HZ PHE 3 HZ PHE 3 -4.989 -2.070 6.119
35 H TYR 4 H TYR 4 0.057 0.528 3.082
36 HA TYR 4 HA TYR 4 -1.611 1.458 0.880
37 HB2 TYR 4 HB2 TYR 4 1.158 0.305 0.663
38 HB3 TYR 4 HB3 TYR 4 0.285 1.325 -0.406
39 HD1 TYR 4 HD2 TYR 4 2.142 1.295 2.754
40 HD2 TYR 4 HD1 TYR 4 0.247 3.677 -0.205
41 HE1 TYR 4 HE2 TYR 4 3.228 3.251 3.661
42 HE2 TYR 4 HE1 TYR 4 1.267 5.689 0.756
43 HH TYR 4 HH TYR 4 3.751 5.878 2.399
44 H PHE 5 H PHE 5 -2.519 -0.077 -0.472
45 HA PHE 5 HA PHE 5 -1.971 -2.892 0.169
46 HB2 PHE 5 HB2 PHE 5 -4.195 -2.166 0.939
47 HB3 PHE 5 HB3 PHE 5 -4.624 -1.761 -0.700
48 HD1 PHE 5 HD2 PHE 5 -3.027 -4.681 1.004
49 HD2 PHE 5 HD1 PHE 5 -5.923 -3.283 -1.779
50 HE1 PHE 5 HE2 PHE 5 -3.681 -6.992 0.519
51 HE2 PHE 5 HE1 PHE 5 -6.552 -5.587 -2.298
52 HZ PHE 5 HZ PHE 5 -5.417 -7.430 -1.167
53 H ASN 6 H ASN 6 -1.249 -4.090 -1.508
54 HA ASN 6 HA ASN 6 -1.644 -2.985 -4.208
55 HB2 ASN 6 HB2 ASN 6 0.712 -3.523 -3.502
56 HB3 ASN 6 HB3 ASN 6 0.246 -5.170 -3.231
57 HD21 ASN 6 HD21 ASN 6 -0.027 -2.703 -5.830
58 HD22 ASN 6 HD22 ASN 6 0.398 -3.766 -7.115
59 H ARG 7 H ARG 7 -3.233 -3.821 -5.367
60 HA ARG 7 HA ARG 7 -4.715 -6.075 -4.463
61 HB2 ARG 7 HB2 ARG 7 -6.306 -5.482 -6.032
62 HB3 ARG 7 HB3 ARG 7 -5.515 -3.960 -5.651
63 HG2 ARG 7 HG2 ARG 7 -4.357 -3.901 -7.628
64 HG3 ARG 7 HG3 ARG 7 -4.617 -5.604 -7.955
65 HD2 ARG 7 HD2 ARG 7 -7.066 -5.134 -8.210
66 HD3 ARG 7 HD3 ARG 7 -6.697 -3.403 -8.047
67 HE ARG 7 HE ARG 7 -5.124 -4.653 -10.137
68 HH11 ARG 7 HH11 ARG 7 -8.291 -3.305 -9.409
69 HH12 ARG 7 HH12 ARG 7 -8.634 -2.911 -11.059
70 HH21 ARG 7 HH21 ARG 7 -5.597 -4.127 -12.299
71 HH22 ARG 7 HH22 ARG 7 -7.106 -3.379 -12.700
72 H ILE 8 H ILE 8 -2.215 -5.642 -6.831
73 HA ILE 8 HA ILE 8 -2.817 -8.034 -8.312
74 HB ILE 8 HB ILE 8 -0.319 -6.316 -8.264
75 HG12 ILE 8 HG12 ILE 8 -2.713 -5.560 -9.310
76 HG13 ILE 8 HG13 ILE 8 -1.160 -5.032 -9.927
77 HG21 ILE 8 HG21 ILE 8 0.231 -8.590 -8.938
78 HG22 ILE 8 HG22 ILE 8 0.405 -7.459 -10.279
79 HG23 ILE 8 HG23 ILE 8 -0.999 -8.521 -10.201
80 HD11 ILE 8 HD11 ILE 8 -1.742 -5.807 -11.903
81 HD12 ILE 8 HD12 ILE 8 -3.219 -6.504 -11.245
82 HD13 ILE 8 HD13 ILE 8 -1.727 -7.443 -11.250
83 H THR 9 H THR 9 -0.289 -7.174 -5.940
84 HA THR 9 HA THR 9 0.385 -10.005 -5.716
85 HB THR 9 HB THR 9 2.432 -9.364 -4.728
86 HG1 THR 9 HG1 THR 9 2.857 -7.181 -4.192
87 HG21 THR 9 HG21 THR 9 2.053 -8.875 -7.206
88 HG22 THR 9 HG22 THR 9 3.472 -8.180 -6.417
89 HG23 THR 9 HG23 THR 9 2.045 -7.181 -6.716
90 H GLY 10 H GLY 10 -1.181 -7.532 -4.062
91 HA2 GLY 10 HA2 GLY 10 -2.408 -7.499 -2.084
92 HA3 GLY 10 HA3 GLY 10 -2.169 -9.223 -2.064
93 H LYS 11 H LYS 11 0.654 -7.040 -2.065
94 HA LYS 11 HA LYS 11 1.159 -8.037 0.599
95 HB2 LYS 11 HB2 LYS 11 3.191 -7.055 -1.383
96 HB3 LYS 11 HB3 LYS 11 3.478 -7.958 0.077
97 HG2 LYS 11 HG2 LYS 11 1.799 -9.153 -2.063
98 HG3 LYS 11 HG3 LYS 11 3.554 -9.145 -2.229
99 HD2 LYS 11 HD2 LYS 11 2.364 -10.110 0.325
100 HD3 LYS 11 HD3 LYS 11 2.291 -11.159 -1.090
101 HE2 LYS 11 HE2 LYS 11 4.285 -11.816 -0.147
102 HE3 LYS 11 HE3 LYS 11 4.831 -10.590 -1.290
103 HZ1 LYS 11 HZ1 LYS 11 5.702 -10.536 1.115
104 HZ2 LYS 11 HZ2 LYS 11 4.205 -9.848 1.495
105 HZ3 LYS 11 HZ3 LYS 11 5.233 -9.081 0.392
106 H ARG 12 H ARG 12 -0.363 -5.867 0.667
107 HA ARG 12 HA ARG 12 0.392 -3.354 0.878
108 HB2 ARG 12 HB2 ARG 12 -0.995 -3.115 2.869
109 HB3 ARG 12 HB3 ARG 12 -1.741 -4.269 1.805
110 HG2 ARG 12 HG2 ARG 12 -1.874 -5.664 3.515
111 HG3 ARG 12 HG3 ARG 12 -0.122 -5.771 3.533
112 HD2 ARG 12 HD2 ARG 12 -1.480 -3.479 4.888
113 HD3 ARG 12 HD3 ARG 12 -1.450 -5.053 5.663
114 HE ARG 12 HE ARG 12 1.011 -3.483 5.017
115 HH11 ARG 12 HH11 ARG 12 -0.628 -5.990 6.880
116 HH12 ARG 12 HH12 ARG 12 0.723 -6.237 7.931
117 HH21 ARG 12 HH21 ARG 12 2.753 -3.836 6.405
118 HH22 ARG 12 HH22 ARG 12 2.636 -5.020 7.664
119 H GLN 13 H GLN 13 1.834 -2.064 2.052
120 HA GLN 13 HA GLN 13 3.371 -3.328 4.208
121 HB2 GLN 13 HB2 GLN 13 4.860 -1.434 2.438
122 HB3 GLN 13 HB3 GLN 13 5.442 -2.776 3.398
123 HG2 GLN 13 HG2 GLN 13 4.506 -4.280 1.874
124 HG3 GLN 13 HG3 GLN 13 4.058 -2.982 0.796
125 HE21 GLN 13 HE21 GLN 13 6.093 -1.540 0.069
126 HE22 GLN 13 HE22 GLN 13 7.546 -2.422 -0.189
127 H PHE 14 H PHE 14 4.659 -1.723 5.376
128 HA PHE 14 HA PHE 14 3.037 0.663 5.868
129 HB2 PHE 14 HB2 PHE 14 4.408 -0.951 7.650
130 HB3 PHE 14 HB3 PHE 14 5.536 0.375 7.414
131 HD1 PHE 14 HD1 PHE 14 1.818 0.170 7.709
132 HD2 PHE 14 HD2 PHE 14 5.438 1.834 9.184
133 HE1 PHE 14 HE1 PHE 14 0.542 1.499 9.324
134 HE2 PHE 14 HE2 PHE 14 4.169 3.167 10.802
135 HZ PHE 14 HZ PHE 14 1.724 2.991 10.868
136 H GLU 15 H GLU 15 5.551 -0.343 3.928
137 HA GLU 15 HA GLU 15 7.149 2.042 3.861
138 HB2 GLU 15 HB2 GLU 15 7.555 -0.557 3.284
139 HB3 GLU 15 HB3 GLU 15 7.200 0.044 1.696
140 HG2 GLU 15 HG2 GLU 15 8.972 1.821 2.932
141 HG3 GLU 15 HG3 GLU 15 9.557 0.194 3.238
142 H ARG 16 H ARG 16 7.514 2.295 1.339
143 HA ARG 16 HA ARG 16 5.172 3.595 0.294
144 HB2 ARG 16 HB2 ARG 16 7.307 4.789 0.733
145 HB3 ARG 16 HB3 ARG 16 8.078 3.795 -0.486
146 HG2 ARG 16 HG2 ARG 16 6.463 4.630 -2.120
147 HG3 ARG 16 HG3 ARG 16 5.869 5.777 -0.922
148 HD2 ARG 16 HD2 ARG 16 8.723 5.599 -1.895
149 HD3 ARG 16 HD3 ARG 16 7.533 6.753 -2.491
150 HE ARG 16 HE ARG 16 7.633 7.894 -0.448
151 HH11 ARG 16 HH11 ARG 16 9.786 5.124 -0.463
152 HH12 ARG 16 HH12 ARG 16 10.685 5.667 0.912
153 HH21 ARG 16 HH21 ARG 16 8.826 8.595 1.361
154 HH22 ARG 16 HH22 ARG 16 10.142 7.633 1.947
155 HA PRO 17 HA PRO 17 5.718 0.030 -2.730
156 HB2 PRO 17 HB2 PRO 17 3.438 -1.321 -2.090
157 HB3 PRO 17 HB3 PRO 17 5.027 -1.714 -1.474
158 HG2 PRO 17 HG2 PRO 17 2.780 -0.624 -0.067
159 HG3 PRO 17 HG3 PRO 17 4.359 -1.084 0.584
160 HD2 PRO 17 HD2 PRO 17 3.350 1.577 -0.097
161 HD3 PRO 17 HD3 PRO 17 4.722 1.112 0.851
162 H LYS 18 H LYS 18 2.750 1.301 -1.627
163 HA LYS 18 HA LYS 18 1.450 1.267 -4.018
164 HB2 LYS 18 HB2 LYS 18 0.120 1.061 -2.013
165 HB3 LYS 18 HB3 LYS 18 0.866 2.548 -1.382
166 HG2 LYS 18 HG2 LYS 18 -0.411 3.208 -3.816
167 HG3 LYS 18 HG3 LYS 18 -1.558 2.318 -2.819
168 HD2 LYS 18 HD2 LYS 18 -1.395 3.894 -1.079
169 HD3 LYS 18 HD3 LYS 18 0.071 4.609 -1.753
170 HE2 LYS 18 HE2 LYS 18 -2.165 4.703 -3.607
171 HE3 LYS 18 HE3 LYS 18 -2.516 5.532 -2.091
172 HZ1 LYS 18 HZ1 LYS 18 -0.125 6.029 -3.784
173 HZ2 LYS 18 HZ2 LYS 18 -0.546 6.867 -2.376
174 HZ3 LYS 18 HZ3 LYS 18 -1.513 6.997 -3.758
175 H GLY 19 H GLY 19 3.652 3.167 -2.699
176 HA2 GLY 19 HA2 GLY 19 3.203 5.461 -4.442
177 HA3 GLY 19 HA3 GLY 19 4.452 5.328 -3.193
178 H LEU 20 H LEU 20 5.219 2.627 -3.796
179 HA LEU 20 HA LEU 20 7.092 3.153 -5.855
180 HB2 LEU 20 HB2 LEU 20 6.578 0.890 -4.096
181 HB3 LEU 20 HB3 LEU 20 7.299 0.465 -5.620
182 HG LEU 20 HG LEU 20 8.581 2.554 -3.861
183 HD11 LEU 20 HD11 LEU 20 8.294 -0.303 -3.319
184 HD12 LEU 20 HD12 LEU 20 8.762 1.022 -2.253
185 HD13 LEU 20 HD13 LEU 20 9.960 0.277 -3.311
186 HD21 LEU 20 HD21 LEU 20 10.486 0.944 -5.067
187 HD22 LEU 20 HD22 LEU 20 9.992 2.547 -5.606
188 HD23 LEU 20 HD23 LEU 20 9.242 1.110 -6.305
189 H VAL 21 H VAL 21 4.243 1.178 -5.973
190 HA VAL 21 HA VAL 21 4.334 1.275 -8.783
191 HB VAL 21 HB VAL 21 3.424 -1.314 -8.083
192 HG11 VAL 21 HG11 VAL 21 5.669 -1.328 -9.800
193 HG12 VAL 21 HG12 VAL 21 4.653 0.038 -10.258
194 HG13 VAL 21 HG13 VAL 21 3.975 -1.589 -10.215
195 HG21 VAL 21 HG21 VAL 21 5.234 -0.725 -6.437
196 HG22 VAL 21 HG22 VAL 21 6.308 -0.818 -7.824
197 HG23 VAL 21 HG23 VAL 21 5.367 -2.230 -7.342
198 H LYS 22 H LYS 22 2.558 -0.026 -9.708
199 HA LYS 22 HA LYS 22 0.087 1.333 -9.017
200 HB2 LYS 22 HB2 LYS 22 0.844 -0.392 -11.387
201 HB3 LYS 22 HB3 LYS 22 -0.739 0.342 -11.169
202 HG2 LYS 22 HG2 LYS 22 -0.014 2.179 -12.159
203 HG3 LYS 22 HG3 LYS 22 1.181 2.395 -10.879
204 HD2 LYS 22 HD2 LYS 22 2.828 1.919 -12.295
205 HD3 LYS 22 HD3 LYS 22 2.090 0.362 -12.673
206 HE2 LYS 22 HE2 LYS 22 0.988 2.833 -13.927
207 HE3 LYS 22 HE3 LYS 22 2.496 2.162 -14.546
208 HZ1 LYS 22 HZ1 LYS 22 0.169 0.398 -14.180
209 HZ2 LYS 22 HZ2 LYS 22 1.459 0.260 -15.266
210 HZ3 LYS 22 HZ3 LYS 22 0.244 1.404 -15.539
211 H GLY 23 H GLY 23 -1.968 -0.010 -9.180
212 HA2 GLY 23 HA2 GLY 23 -3.152 -2.111 -8.670
213 HA3 GLY 23 HA3 GLY 23 -1.600 -2.796 -8.219
214 H TRP 24 H TRP 24 -0.797 -0.543 -6.672
215 HA TRP 24 HA TRP 24 -1.621 -1.245 -4.128
216 HB2 TRP 24 HB2 TRP 24 -0.089 1.063 -5.300
217 HB3 TRP 24 HB3 TRP 24 -0.256 0.780 -3.600
218 HD1 TRP 24 HD1 TRP 24 1.870 -0.178 -6.478
219 HE1 TRP 24 HE1 TRP 24 3.503 -1.989 -5.804
220 HE3 TRP 24 HE3 TRP 24 0.032 -1.222 -1.831
221 HZ2 TRP 24 HZ2 TRP 24 3.962 -3.730 -3.648
222 HZ3 TRP 24 HZ3 TRP 24 1.096 -3.075 -0.585
223 HH2 TRP 24 HH2 TRP 24 3.045 -4.238 -1.434
224 H GLU 25 H GLU 25 -2.790 -0.020 -2.527
225 HA GLU 25 HA GLU 25 -4.194 2.392 -3.336
226 HB2 GLU 25 HB2 GLU 25 -5.602 -0.231 -2.937
227 HB3 GLU 25 HB3 GLU 25 -6.397 1.259 -2.458
228 HG2 GLU 25 HG2 GLU 25 -7.165 1.291 -4.545
229 HG3 GLU 25 HG3 GLU 25 -5.561 1.884 -4.967
230 H LYS 26 H LYS 26 -3.686 3.663 -1.659
231 HA LYS 26 HA LYS 26 -2.991 2.748 0.900
232 HB2 LYS 26 HB2 LYS 26 -2.304 5.051 0.093
233 HB3 LYS 26 HB3 LYS 26 -3.981 5.495 -0.064
234 HG2 LYS 26 HG2 LYS 26 -4.269 5.619 2.326
235 HG3 LYS 26 HG3 LYS 26 -2.637 4.997 2.603
236 HD2 LYS 26 HD2 LYS 26 -3.449 7.639 1.408
237 HD3 LYS 26 HD3 LYS 26 -2.511 7.327 2.877
238 HE2 LYS 26 HE2 LYS 26 -0.705 6.311 1.455
239 HE3 LYS 26 HE3 LYS 26 -1.621 6.836 0.034
240 HZ1 LYS 26 HZ1 LYS 26 -0.537 8.622 2.145
241 HZ2 LYS 26 HZ2 LYS 26 -1.414 9.125 0.788
242 HZ3 LYS 26 HZ3 LYS 26 0.109 8.415 0.595
243 H ARG 27 H ARG 27 -4.146 2.301 2.717
244 HA ARG 27 HA ARG 27 -7.011 2.979 2.758
245 HB2 ARG 27 HB2 ARG 27 -5.933 0.345 2.400
246 HB3 ARG 27 HB3 ARG 27 -6.787 0.310 3.890
247 HG2 ARG 27 HG2 ARG 27 -8.804 1.105 2.662
248 HG3 ARG 27 HG3 ARG 27 -7.868 1.090 1.173
249 HD2 ARG 27 HD2 ARG 27 -9.306 -0.926 1.552
250 HD3 ARG 27 HD3 ARG 27 -7.603 -1.255 1.246
251 HE ARG 27 HE ARG 27 -8.290 -1.101 4.043
252 HH11 ARG 27 HH11 ARG 27 -8.054 -3.205 1.253
253 HH12 ARG 27 HH12 ARG 27 -7.902 -4.645 2.201
254 HH21 ARG 27 HH21 ARG 27 -8.089 -2.999 5.284
255 HH22 ARG 27 HH22 ARG 27 -7.923 -4.529 4.489
256 H TRP 28 H TRP 28 -7.986 2.592 4.842
257 HA TRP 28 HA TRP 28 -6.433 3.764 6.949
258 HB2 TRP 28 HB2 TRP 28 -8.816 4.351 6.533
259 HB3 TRP 28 HB3 TRP 28 -9.275 2.723 6.987
260 HD1 TRP 28 HD1 TRP 28 -10.432 2.900 9.201
261 HE1 TRP 28 HE1 TRP 28 -9.991 4.032 11.454
262 HE3 TRP 28 HE3 TRP 28 -6.236 5.514 7.955
263 HZ2 TRP 28 HZ2 TRP 28 -8.104 5.821 12.567
264 HZ3 TRP 28 HZ3 TRP 28 -5.176 6.923 9.670
265 HH2 TRP 28 HH2 TRP 28 -6.090 7.072 11.928
266 H ASP 29 H ASP 29 -6.084 2.904 9.041
267 HA ASP 29 HA ASP 29 -6.001 -0.047 9.121
268 HB2 ASP 29 HB2 ASP 29 -3.804 1.289 9.362
269 HB3 ASP 29 HB3 ASP 29 -4.378 1.725 10.947
Start of MODEL 15
1 H1 ARG 1 H1 ARG 1 -3.743 3.484 12.994
2 H2 ARG 1 H2 ARG 1 -4.764 3.148 11.657
3 H3 ARG 1 H3 ARG 1 -4.268 4.758 11.976
4 HA ARG 1 HA ARG 1 -2.092 4.337 11.392
5 HB2 ARG 1 HB2 ARG 1 -2.683 1.760 12.321
6 HB3 ARG 1 HB3 ARG 1 -2.400 1.528 10.609
7 HG2 ARG 1 HG2 ARG 1 -0.202 2.790 10.973
8 HG3 ARG 1 HG3 ARG 1 -0.494 2.539 12.699
9 HD2 ARG 1 HD2 ARG 1 0.734 0.680 12.248
10 HD3 ARG 1 HD3 ARG 1 -0.876 0.051 11.909
11 HE ARG 1 HE ARG 1 1.176 0.759 9.942
12 HH11 ARG 1 HH11 ARG 1 -2.014 -0.546 10.605
13 HH12 ARG 1 HH12 ARG 1 -2.176 -1.258 9.036
14 HH21 ARG 1 HH21 ARG 1 0.947 -0.188 7.885
15 HH22 ARG 1 HH22 ARG 1 -0.498 -1.059 7.498
16 H TRP 2 H TRP 2 -1.372 4.430 9.301
17 HA TRP 2 HA TRP 2 -3.410 4.072 7.202
18 HB2 TRP 2 HB2 TRP 2 -1.271 6.132 7.605
19 HB3 TRP 2 HB3 TRP 2 -1.898 5.824 6.032
20 HD1 TRP 2 HD1 TRP 2 -2.615 7.666 9.123
21 HE1 TRP 2 HE1 TRP 2 -4.841 8.962 8.892
22 HE3 TRP 2 HE3 TRP 2 -4.232 5.554 4.858
23 HZ2 TRP 2 HZ2 TRP 2 -7.019 9.043 7.057
24 HZ3 TRP 2 HZ3 TRP 2 -6.380 6.255 3.879
25 HH2 TRP 2 HH2 TRP 2 -7.749 7.974 4.963
26 H PHE 3 H PHE 3 -2.627 3.433 5.089
27 HA PHE 3 HA PHE 3 -0.028 2.802 4.438
28 HB2 PHE 3 HB2 PHE 3 0.278 0.503 4.778
29 HB3 PHE 3 HB3 PHE 3 -0.221 1.189 6.269
30 HD1 PHE 3 HD1 PHE 3 -3.129 1.199 6.242
31 HD2 PHE 3 HD2 PHE 3 -0.445 -1.591 4.499
32 HE1 PHE 3 HE1 PHE 3 -4.886 -0.491 6.194
33 HE2 PHE 3 HE2 PHE 3 -2.197 -3.296 4.461
34 HZ PHE 3 HZ PHE 3 -4.454 -2.727 5.304
35 H TYR 4 H TYR 4 0.167 1.063 2.706
36 HA TYR 4 HA TYR 4 -1.885 1.590 0.717
37 HB2 TYR 4 HB2 TYR 4 0.798 0.675 0.023
38 HB3 TYR 4 HB3 TYR 4 -0.070 1.989 -0.576
39 HD1 TYR 4 HD2 TYR 4 -0.401 3.276 2.266
40 HD2 TYR 4 HD1 TYR 4 3.080 1.988 0.050
41 HE1 TYR 4 HE2 TYR 4 0.876 4.939 3.351
42 HE2 TYR 4 HE1 TYR 4 4.322 3.709 1.197
43 HH TYR 4 HH TYR 4 3.415 6.217 2.497
44 H PHE 5 H PHE 5 -2.143 -0.166 -0.963
45 HA PHE 5 HA PHE 5 -1.465 -2.852 -0.066
46 HB2 PHE 5 HB2 PHE 5 -3.652 -2.310 0.927
47 HB3 PHE 5 HB3 PHE 5 -4.299 -1.993 -0.660
48 HD1 PHE 5 HD1 PHE 5 -2.345 -4.712 1.012
49 HD2 PHE 5 HD2 PHE 5 -5.495 -3.626 -1.642
50 HE1 PHE 5 HE1 PHE 5 -2.862 -7.090 0.621
51 HE2 PHE 5 HE2 PHE 5 -5.996 -5.976 -2.049
52 HZ PHE 5 HZ PHE 5 -4.674 -7.694 -0.952
53 H ASN 6 H ASN 6 -1.117 -4.277 -1.790
54 HA ASN 6 HA ASN 6 -1.757 -3.170 -4.455
55 HB2 ASN 6 HB2 ASN 6 0.677 -3.656 -3.915
56 HB3 ASN 6 HB3 ASN 6 0.266 -5.316 -3.715
57 HD21 ASN 6 HD21 ASN 6 0.899 -2.788 -6.137
58 HD22 ASN 6 HD22 ASN 6 0.717 -3.816 -7.498
59 H ARG 7 H ARG 7 -3.318 -4.111 -5.514
60 HA ARG 7 HA ARG 7 -4.686 -6.367 -4.420
61 HB2 ARG 7 HB2 ARG 7 -6.409 -5.759 -5.827
62 HB3 ARG 7 HB3 ARG 7 -5.528 -4.242 -5.655
63 HG2 ARG 7 HG2 ARG 7 -4.600 -4.366 -7.723
64 HG3 ARG 7 HG3 ARG 7 -4.899 -6.083 -7.888
65 HD2 ARG 7 HD2 ARG 7 -7.351 -5.622 -7.979
66 HD3 ARG 7 HD3 ARG 7 -6.983 -3.884 -7.940
67 HE ARG 7 HE ARG 7 -5.589 -5.245 -10.092
68 HH11 ARG 7 HH11 ARG 7 -8.684 -3.851 -9.163
69 HH12 ARG 7 HH12 ARG 7 -9.166 -3.536 -10.795
70 HH21 ARG 7 HH21 ARG 7 -6.243 -4.822 -12.228
71 HH22 ARG 7 HH22 ARG 7 -7.781 -4.087 -12.535
72 H ILE 8 H ILE 8 -2.322 -5.949 -6.911
73 HA ILE 8 HA ILE 8 -2.977 -8.393 -8.311
74 HB ILE 8 HB ILE 8 -0.565 -6.571 -8.539
75 HG12 ILE 8 HG12 ILE 8 -3.091 -5.904 -9.307
76 HG13 ILE 8 HG13 ILE 8 -1.634 -5.307 -10.076
77 HG21 ILE 8 HG21 ILE 8 -1.383 -8.800 -10.394
78 HG22 ILE 8 HG22 ILE 8 -0.019 -8.825 -9.274
79 HG23 ILE 8 HG23 ILE 8 -0.032 -7.690 -10.623
80 HD11 ILE 8 HD11 ILE 8 -2.218 -7.711 -11.378
81 HD12 ILE 8 HD12 ILE 8 -2.420 -6.069 -11.984
82 HD13 ILE 8 HD13 ILE 8 -3.759 -6.878 -11.173
83 H THR 9 H THR 9 -0.342 -7.333 -6.155
84 HA THR 9 HA THR 9 0.579 -10.100 -5.975
85 HB THR 9 HB THR 9 2.644 -9.233 -5.144
86 HG1 THR 9 HG1 THR 9 2.889 -6.986 -4.783
87 HG21 THR 9 HG21 THR 9 3.444 -8.220 -7.017
88 HG22 THR 9 HG22 THR 9 2.029 -7.176 -7.178
89 HG23 THR 9 HG23 THR 9 1.926 -8.876 -7.635
90 H GLY 10 H GLY 10 -1.049 -7.738 -4.230
91 HA2 GLY 10 HA2 GLY 10 -2.014 -7.691 -2.122
92 HA3 GLY 10 HA3 GLY 10 -1.746 -9.414 -2.131
93 H LYS 11 H LYS 11 1.013 -7.136 -2.358
94 HA LYS 11 HA LYS 11 1.789 -8.116 0.277
95 HB2 LYS 11 HB2 LYS 11 3.605 -7.211 -1.944
96 HB3 LYS 11 HB3 LYS 11 4.045 -8.037 -0.478
97 HG2 LYS 11 HG2 LYS 11 2.166 -9.342 -2.365
98 HG3 LYS 11 HG3 LYS 11 3.890 -9.334 -2.718
99 HD2 LYS 11 HD2 LYS 11 2.704 -10.323 -0.130
100 HD3 LYS 11 HD3 LYS 11 3.074 -11.366 -1.502
101 HE2 LYS 11 HE2 LYS 11 5.258 -9.598 -0.601
102 HE3 LYS 11 HE3 LYS 11 4.789 -10.872 0.523
103 HZ1 LYS 11 HZ1 LYS 11 6.549 -11.586 -0.981
104 HZ2 LYS 11 HZ2 LYS 11 5.554 -11.291 -2.317
105 HZ3 LYS 11 HZ3 LYS 11 5.146 -12.503 -1.210
106 H ARG 12 H ARG 12 0.425 -6.100 0.835
107 HA ARG 12 HA ARG 12 1.043 -3.523 0.698
108 HB2 ARG 12 HB2 ARG 12 0.061 -3.260 2.915
109 HB3 ARG 12 HB3 ARG 12 -0.817 -4.482 2.053
110 HG2 ARG 12 HG2 ARG 12 -0.361 -6.029 3.579
111 HG3 ARG 12 HG3 ARG 12 1.338 -5.584 3.644
112 HD2 ARG 12 HD2 ARG 12 0.995 -4.658 5.626
113 HD3 ARG 12 HD3 ARG 12 -0.065 -3.480 4.856
114 HE ARG 12 HE ARG 12 -1.525 -5.829 5.311
115 HH11 ARG 12 HH11 ARG 12 -0.027 -3.237 7.128
116 HH12 ARG 12 HH12 ARG 12 -1.139 -3.356 8.449
117 HH21 ARG 12 HH21 ARG 12 -2.986 -5.980 7.055
118 HH22 ARG 12 HH22 ARG 12 -2.818 -4.914 8.410
119 H GLN 13 H GLN 13 2.634 -2.186 1.438
120 HA GLN 13 HA GLN 13 4.935 -3.220 2.930
121 HB2 GLN 13 HB2 GLN 13 4.684 -2.718 0.216
122 HB3 GLN 13 HB3 GLN 13 5.488 -1.311 0.913
123 HG2 GLN 13 HG2 GLN 13 7.204 -2.588 1.720
124 HG3 GLN 13 HG3 GLN 13 6.333 -4.042 1.388
125 HE21 GLN 13 HE21 GLN 13 6.520 -1.307 -0.775
126 HE22 GLN 13 HE22 GLN 13 7.396 -2.127 -2.016
127 H PHE 14 H PHE 14 4.399 -1.853 4.691
128 HA PHE 14 HA PHE 14 3.493 0.732 4.819
129 HB2 PHE 14 HB2 PHE 14 4.364 -0.765 6.847
130 HB3 PHE 14 HB3 PHE 14 5.903 0.025 6.558
131 HD1 PHE 14 HD2 PHE 14 2.332 1.098 6.750
132 HD2 PHE 14 HD1 PHE 14 6.345 1.756 7.986
133 HE1 PHE 14 HE2 PHE 14 1.606 3.017 8.081
134 HE2 PHE 14 HE1 PHE 14 5.621 3.677 9.325
135 HZ PHE 14 HZ PHE 14 3.249 4.304 9.370
136 H GLU 15 H GLU 15 6.601 -0.302 3.586
137 HA GLU 15 HA GLU 15 8.047 2.092 3.634
138 HB2 GLU 15 HB2 GLU 15 8.408 -0.410 2.585
139 HB3 GLU 15 HB3 GLU 15 8.204 0.549 1.186
140 HG2 GLU 15 HG2 GLU 15 9.967 1.880 2.945
141 HG3 GLU 15 HG3 GLU 15 10.483 0.205 2.791
142 H ARG 16 H ARG 16 8.575 2.927 1.382
143 HA ARG 16 HA ARG 16 6.719 4.678 0.563
144 HB2 ARG 16 HB2 ARG 16 8.881 5.135 0.000
145 HB3 ARG 16 HB3 ARG 16 9.113 3.559 -0.702
146 HG2 ARG 16 HG2 ARG 16 7.588 4.182 -2.516
147 HG3 ARG 16 HG3 ARG 16 7.534 5.821 -1.873
148 HD2 ARG 16 HD2 ARG 16 10.030 4.382 -2.771
149 HD3 ARG 16 HD3 ARG 16 9.149 5.569 -3.729
150 HE ARG 16 HE ARG 16 9.876 7.264 -2.274
151 HH11 ARG 16 HH11 ARG 16 11.174 4.133 -1.367
152 HH12 ARG 16 HH12 ARG 16 12.410 4.805 -0.361
153 HH21 ARG 16 HH21 ARG 16 11.508 8.133 -0.944
154 HH22 ARG 16 HH22 ARG 16 12.600 7.072 -0.120
155 HA PRO 17 HA PRO 17 5.468 1.664 -2.997
156 HB2 PRO 17 HB2 PRO 17 6.578 -0.781 -2.826
157 HB3 PRO 17 HB3 PRO 17 7.282 0.569 -3.730
158 HG2 PRO 17 HG2 PRO 17 7.985 -0.383 -0.992
159 HG3 PRO 17 HG3 PRO 17 9.049 0.276 -2.248
160 HD2 PRO 17 HD2 PRO 17 8.118 1.724 -0.085
161 HD3 PRO 17 HD3 PRO 17 8.506 2.461 -1.601
162 H LYS 18 H LYS 18 4.025 0.173 -3.113
163 HA LYS 18 HA LYS 18 2.523 -1.235 -2.460
164 HB2 LYS 18 HB2 LYS 18 2.043 -1.921 -0.300
165 HB3 LYS 18 HB3 LYS 18 3.754 -1.514 -0.230
166 HG2 LYS 18 HG2 LYS 18 3.419 0.118 1.148
167 HG3 LYS 18 HG3 LYS 18 2.171 0.778 0.226
168 HD2 LYS 18 HD2 LYS 18 0.602 0.016 1.583
169 HD3 LYS 18 HD3 LYS 18 1.241 -1.575 1.629
170 HE2 LYS 18 HE2 LYS 18 2.947 -0.006 3.191
171 HE3 LYS 18 HE3 LYS 18 1.352 0.523 3.600
172 HZ1 LYS 18 HZ1 LYS 18 1.522 -1.201 5.028
173 HZ2 LYS 18 HZ2 LYS 18 2.569 -2.085 4.046
174 HZ3 LYS 18 HZ3 LYS 18 0.933 -2.048 3.696
175 H GLY 19 H GLY 19 3.198 1.843 -2.186
176 HA2 GLY 19 HA2 GLY 19 0.468 2.774 -2.547
177 HA3 GLY 19 HA3 GLY 19 1.568 3.640 -1.480
178 H LEU 20 H LEU 20 4.013 3.342 -3.103
179 HA LEU 20 HA LEU 20 3.232 5.226 -5.212
180 HB2 LEU 20 HB2 LEU 20 5.675 4.784 -3.642
181 HB3 LEU 20 HB3 LEU 20 5.932 5.307 -5.285
182 HG LEU 20 HG LEU 20 4.115 6.888 -3.472
183 HD11 LEU 20 HD11 LEU 20 6.175 8.277 -2.981
184 HD12 LEU 20 HD12 LEU 20 7.110 6.864 -3.470
185 HD13 LEU 20 HD13 LEU 20 6.000 6.758 -2.104
186 HD21 LEU 20 HD21 LEU 20 3.999 8.096 -5.358
187 HD22 LEU 20 HD22 LEU 20 5.319 7.193 -6.106
188 HD23 LEU 20 HD23 LEU 20 5.671 8.557 -5.047
189 H VAL 21 H VAL 21 2.571 2.700 -5.696
190 HA VAL 21 HA VAL 21 3.938 2.044 -8.097
191 HB VAL 21 HB VAL 21 3.697 0.291 -5.778
192 HG11 VAL 21 HG11 VAL 21 4.484 -1.573 -7.283
193 HG12 VAL 21 HG12 VAL 21 4.199 -0.525 -8.665
194 HG13 VAL 21 HG13 VAL 21 2.842 -1.072 -7.683
195 HG21 VAL 21 HG21 VAL 21 5.530 1.629 -6.027
196 HG22 VAL 21 HG22 VAL 21 5.848 0.912 -7.615
197 HG23 VAL 21 HG23 VAL 21 5.912 -0.088 -6.159
198 H LYS 22 H LYS 22 2.767 0.343 -9.193
199 HA LYS 22 HA LYS 22 0.000 1.118 -9.504
200 HB2 LYS 22 HB2 LYS 22 1.531 -0.984 -11.029
201 HB3 LYS 22 HB3 LYS 22 -0.064 -0.401 -11.429
202 HG2 LYS 22 HG2 LYS 22 2.493 0.644 -12.205
203 HG3 LYS 22 HG3 LYS 22 0.886 1.057 -12.787
204 HD2 LYS 22 HD2 LYS 22 1.214 3.073 -11.898
205 HD3 LYS 22 HD3 LYS 22 1.028 2.314 -10.319
206 HE2 LYS 22 HE2 LYS 22 3.521 1.817 -10.438
207 HE3 LYS 22 HE3 LYS 22 3.568 2.921 -11.811
208 HZ1 LYS 22 HZ1 LYS 22 4.088 3.868 -9.529
209 HZ2 LYS 22 HZ2 LYS 22 2.433 3.742 -9.206
210 HZ3 LYS 22 HZ3 LYS 22 2.973 4.720 -10.475
211 H GLY 23 H GLY 23 -1.770 -0.274 -9.447
212 HA2 GLY 23 HA2 GLY 23 -3.013 -2.254 -8.715
213 HA3 GLY 23 HA3 GLY 23 -1.497 -2.928 -8.166
214 H TRP 24 H TRP 24 -0.740 -0.557 -6.739
215 HA TRP 24 HA TRP 24 -1.598 -1.156 -4.204
216 HB2 TRP 24 HB2 TRP 24 -0.052 1.116 -5.412
217 HB3 TRP 24 HB3 TRP 24 -0.190 0.852 -3.695
218 HD1 TRP 24 HD1 TRP 24 1.878 -0.078 -6.554
219 HE1 TRP 24 HE1 TRP 24 3.517 -1.994 -5.915
220 HE3 TRP 24 HE3 TRP 24 -0.179 -1.391 -2.101
221 HZ2 TRP 24 HZ2 TRP 24 3.765 -3.909 -3.894
222 HZ3 TRP 24 HZ3 TRP 24 0.739 -3.399 -0.954
223 HH2 TRP 24 HH2 TRP 24 2.710 -4.550 -1.780
224 H GLU 25 H GLU 25 -2.826 -0.014 -2.648
225 HA GLU 25 HA GLU 25 -4.141 2.464 -3.426
226 HB2 GLU 25 HB2 GLU 25 -5.641 -0.114 -3.051
227 HB3 GLU 25 HB3 GLU 25 -6.391 1.414 -2.618
228 HG2 GLU 25 HG2 GLU 25 -7.105 1.398 -4.731
229 HG3 GLU 25 HG3 GLU 25 -5.488 2.000 -5.091
230 H LYS 26 H LYS 26 -3.519 3.678 -1.723
231 HA LYS 26 HA LYS 26 -3.049 2.682 0.888
232 HB2 LYS 26 HB2 LYS 26 -1.965 4.854 0.506
233 HB3 LYS 26 HB3 LYS 26 -3.402 5.494 -0.209
234 HG2 LYS 26 HG2 LYS 26 -3.488 6.605 1.704
235 HG3 LYS 26 HG3 LYS 26 -4.394 5.200 2.185
236 HD2 LYS 26 HD2 LYS 26 -2.918 5.320 3.934
237 HD3 LYS 26 HD3 LYS 26 -1.976 4.323 2.816
238 HE2 LYS 26 HE2 LYS 26 -0.596 6.116 2.149
239 HE3 LYS 26 HE3 LYS 26 -1.753 7.315 2.744
240 HZ1 LYS 26 HZ1 LYS 26 -1.045 7.088 4.882
241 HZ2 LYS 26 HZ2 LYS 26 0.404 6.761 4.076
242 HZ3 LYS 26 HZ3 LYS 26 -0.529 5.488 4.684
243 H ARG 27 H ARG 27 -4.321 2.253 2.552
244 HA ARG 27 HA ARG 27 -7.157 3.026 2.372
245 HB2 ARG 27 HB2 ARG 27 -6.233 0.496 2.237
246 HB3 ARG 27 HB3 ARG 27 -6.446 0.573 3.948
247 HG2 ARG 27 HG2 ARG 27 -8.324 0.168 1.788
248 HG3 ARG 27 HG3 ARG 27 -8.542 -0.073 3.505
249 HD2 ARG 27 HD2 ARG 27 -9.674 1.859 3.756
250 HD3 ARG 27 HD3 ARG 27 -8.643 2.733 2.632
251 HE ARG 27 HE ARG 27 -11.052 1.235 1.996
252 HH11 ARG 27 HH11 ARG 27 -8.282 3.019 0.797
253 HH12 ARG 27 HH12 ARG 27 -8.986 3.299 -0.758
254 HH21 ARG 27 HH21 ARG 27 -11.965 1.608 -0.056
255 HH22 ARG 27 HH22 ARG 27 -11.073 2.500 -1.243
256 H TRP 28 H TRP 28 -8.200 2.724 4.576
257 HA TRP 28 HA TRP 28 -6.529 4.018 6.629
258 HB2 TRP 28 HB2 TRP 28 -8.255 5.531 5.791
259 HB3 TRP 28 HB3 TRP 28 -9.494 4.330 6.107
260 HD1 TRP 28 HD1 TRP 28 -10.879 5.531 7.907
261 HE1 TRP 28 HE1 TRP 28 -10.418 6.416 10.263
262 HE3 TRP 28 HE3 TRP 28 -5.796 5.082 7.943
263 HZ2 TRP 28 HZ2 TRP 28 -8.182 6.874 11.937
264 HZ3 TRP 28 HZ3 TRP 28 -4.568 5.767 9.961
265 HH2 TRP 28 HH2 TRP 28 -5.734 6.644 11.914
266 H ASP 29 H ASP 29 -6.225 2.932 8.464
267 HA ASP 29 HA ASP 29 -8.311 1.228 9.538
268 HB2 ASP 29 HB2 ASP 29 -6.848 -0.153 7.966
269 HB3 ASP 29 HB3 ASP 29 -5.567 0.037 9.155
Start of MODEL 16
1 H1 ARG 1 H1 ARG 1 -4.472 3.857 12.639
2 H2 ARG 1 H2 ARG 1 -3.799 2.426 13.300
3 H3 ARG 1 H3 ARG 1 -4.808 2.342 11.914
4 HA ARG 1 HA ARG 1 -2.398 3.974 11.840
5 HB2 ARG 1 HB2 ARG 1 -2.416 1.204 12.497
6 HB3 ARG 1 HB3 ARG 1 -1.935 1.306 10.814
7 HG2 ARG 1 HG2 ARG 1 -0.163 2.968 11.553
8 HG3 ARG 1 HG3 ARG 1 -0.553 2.496 13.209
9 HD2 ARG 1 HD2 ARG 1 -0.125 0.122 12.523
10 HD3 ARG 1 HD3 ARG 1 0.487 0.746 10.992
11 HE ARG 1 HE ARG 1 1.784 0.860 13.573
12 HH11 ARG 1 HH11 ARG 1 1.699 2.137 10.311
13 HH12 ARG 1 HH12 ARG 1 3.337 2.693 10.359
14 HH21 ARG 1 HH21 ARG 1 3.939 1.599 13.625
15 HH22 ARG 1 HH22 ARG 1 4.608 2.390 12.237
16 H TRP 2 H TRP 2 -1.564 4.037 9.646
17 HA TRP 2 HA TRP 2 -3.645 3.591 7.609
18 HB2 TRP 2 HB2 TRP 2 -1.667 5.810 8.025
19 HB3 TRP 2 HB3 TRP 2 -2.340 5.527 6.463
20 HD1 TRP 2 HD1 TRP 2 -2.945 7.367 9.525
21 HE1 TRP 2 HE1 TRP 2 -5.306 8.417 9.521
22 HE3 TRP 2 HE3 TRP 2 -4.858 4.833 5.619
23 HZ2 TRP 2 HZ2 TRP 2 -7.691 8.171 7.989
24 HZ3 TRP 2 HZ3 TRP 2 -7.178 5.270 4.894
25 HH2 TRP 2 HH2 TRP 2 -8.566 6.908 6.067
26 H PHE 3 H PHE 3 -2.786 3.169 5.404
27 HA PHE 3 HA PHE 3 -0.158 2.753 4.743
28 HB2 PHE 3 HB2 PHE 3 0.135 0.333 4.808
29 HB3 PHE 3 HB3 PHE 3 -0.005 1.075 6.379
30 HD1 PHE 3 HD1 PHE 3 -1.771 -0.838 3.812
31 HD2 PHE 3 HD2 PHE 3 -1.702 0.315 7.896
32 HE1 PHE 3 HE1 PHE 3 -3.537 -2.475 4.290
33 HE2 PHE 3 HE2 PHE 3 -3.444 -1.331 8.399
34 HZ PHE 3 HZ PHE 3 -4.398 -2.710 6.579
35 H TYR 4 H TYR 4 0.196 1.372 2.817
36 HA TYR 4 HA TYR 4 -2.077 1.755 1.063
37 HB2 TYR 4 HB2 TYR 4 0.683 1.354 0.062
38 HB3 TYR 4 HB3 TYR 4 -0.550 2.467 -0.415
39 HD1 TYR 4 HD1 TYR 4 -0.731 3.469 2.738
40 HD2 TYR 4 HD2 TYR 4 2.271 3.156 -0.270
41 HE1 TYR 4 HE1 TYR 4 0.470 5.223 3.808
42 HE2 TYR 4 HE2 TYR 4 3.513 4.952 0.833
43 HH TYR 4 HH TYR 4 3.378 5.846 3.660
44 H PHE 5 H PHE 5 -2.812 0.192 -0.273
45 HA PHE 5 HA PHE 5 -1.657 -2.491 0.058
46 HB2 PHE 5 HB2 PHE 5 -3.875 -2.156 1.101
47 HB3 PHE 5 HB3 PHE 5 -4.540 -1.788 -0.466
48 HD1 PHE 5 HD1 PHE 5 -2.285 -4.473 0.839
49 HD2 PHE 5 HD2 PHE 5 -5.799 -3.471 -1.330
50 HE1 PHE 5 HE1 PHE 5 -2.663 -6.844 0.359
51 HE2 PHE 5 HE2 PHE 5 -6.181 -5.836 -1.819
52 HZ PHE 5 HZ PHE 5 -4.609 -7.513 -0.985
53 H ASN 6 H ASN 6 -1.068 -3.582 -1.718
54 HA ASN 6 HA ASN 6 -1.905 -2.453 -4.302
55 HB2 ASN 6 HB2 ASN 6 0.563 -2.605 -3.943
56 HB3 ASN 6 HB3 ASN 6 0.415 -4.306 -3.619
57 HD21 ASN 6 HD21 ASN 6 -0.822 -2.037 -6.085
58 HD22 ASN 6 HD22 ASN 6 -0.411 -3.001 -7.452
59 H ARG 7 H ARG 7 -3.583 -3.448 -5.101
60 HA ARG 7 HA ARG 7 -4.474 -6.005 -4.257
61 HB2 ARG 7 HB2 ARG 7 -6.369 -5.600 -5.522
62 HB3 ARG 7 HB3 ARG 7 -5.793 -3.992 -5.107
63 HG2 ARG 7 HG2 ARG 7 -4.995 -3.572 -7.206
64 HG3 ARG 7 HG3 ARG 7 -4.979 -5.265 -7.659
65 HD2 ARG 7 HD2 ARG 7 -7.468 -5.289 -7.588
66 HD3 ARG 7 HD3 ARG 7 -7.441 -3.547 -7.236
67 HE ARG 7 HE ARG 7 -5.961 -4.189 -9.648
68 HH11 ARG 7 HH11 ARG 7 -9.201 -3.662 -8.379
69 HH12 ARG 7 HH12 ARG 7 -9.848 -3.172 -9.908
70 HH21 ARG 7 HH21 ARG 7 -6.834 -3.541 -11.647
71 HH22 ARG 7 HH22 ARG 7 -8.506 -3.104 -11.763
72 H ILE 8 H ILE 8 -2.376 -4.986 -6.772
73 HA ILE 8 HA ILE 8 -2.802 -7.204 -8.538
74 HB ILE 8 HB ILE 8 -0.499 -5.241 -8.343
75 HG12 ILE 8 HG12 ILE 8 -3.017 -4.624 -9.176
76 HG13 ILE 8 HG13 ILE 8 -1.565 -3.836 -9.758
77 HG21 ILE 8 HG21 ILE 8 0.206 -5.993 -10.552
78 HG22 ILE 8 HG22 ILE 8 -1.042 -7.238 -10.532
79 HG23 ILE 8 HG23 ILE 8 0.279 -7.294 -9.364
80 HD11 ILE 8 HD11 ILE 8 -3.521 -5.284 -11.219
81 HD12 ILE 8 HD12 ILE 8 -1.967 -6.100 -11.393
82 HD13 ILE 8 HD13 ILE 8 -2.120 -4.396 -11.810
83 H THR 9 H THR 9 -0.227 -6.415 -6.193
84 HA THR 9 HA THR 9 0.762 -9.150 -6.418
85 HB THR 9 HB THR 9 2.770 -8.401 -5.371
86 HG1 THR 9 HG1 THR 9 2.926 -6.200 -4.659
87 HG21 THR 9 HG21 THR 9 2.290 -7.725 -7.768
88 HG22 THR 9 HG22 THR 9 3.587 -6.871 -6.925
89 HG23 THR 9 HG23 THR 9 2.005 -6.109 -7.124
90 H GLY 10 H GLY 10 -0.945 -7.122 -4.341
91 HA2 GLY 10 HA2 GLY 10 -2.250 -7.688 -2.507
92 HA3 GLY 10 HA3 GLY 10 -1.475 -9.240 -2.505
93 H LYS 11 H LYS 11 0.749 -6.625 -2.557
94 HA LYS 11 HA LYS 11 1.457 -7.135 0.206
95 HB2 LYS 11 HB2 LYS 11 2.849 -5.842 -2.128
96 HB3 LYS 11 HB3 LYS 11 3.541 -5.897 -0.520
97 HG2 LYS 11 HG2 LYS 11 2.689 -8.362 -1.990
98 HG3 LYS 11 HG3 LYS 11 4.270 -7.635 -2.241
99 HD2 LYS 11 HD2 LYS 11 3.155 -8.757 0.319
100 HD3 LYS 11 HD3 LYS 11 4.481 -9.404 -0.637
101 HE2 LYS 11 HE2 LYS 11 4.603 -6.654 0.564
102 HE3 LYS 11 HE3 LYS 11 5.065 -8.085 1.480
103 HZ1 LYS 11 HZ1 LYS 11 6.275 -7.163 -1.071
104 HZ2 LYS 11 HZ2 LYS 11 6.678 -8.603 -0.280
105 HZ3 LYS 11 HZ3 LYS 11 6.993 -7.115 0.461
106 H ARG 12 H ARG 12 1.973 -5.272 1.609
107 HA ARG 12 HA ARG 12 0.902 -2.719 0.947
108 HB2 ARG 12 HB2 ARG 12 -0.987 -2.874 2.317
109 HB3 ARG 12 HB3 ARG 12 -0.945 -4.420 1.529
110 HG2 ARG 12 HG2 ARG 12 0.056 -3.858 4.303
111 HG3 ARG 12 HG3 ARG 12 -1.508 -4.541 3.912
112 HD2 ARG 12 HD2 ARG 12 1.167 -5.785 3.250
113 HD3 ARG 12 HD3 ARG 12 0.114 -6.247 4.581
114 HE ARG 12 HE ARG 12 -0.896 -6.488 1.802
115 HH11 ARG 12 HH11 ARG 12 0.029 -8.001 4.844
116 HH12 ARG 12 HH12 ARG 12 -0.729 -9.506 4.455
117 HH21 ARG 12 HH21 ARG 12 -1.887 -8.474 1.324
118 HH22 ARG 12 HH22 ARG 12 -1.813 -9.775 2.464
119 H GLN 13 H GLN 13 1.593 -1.078 2.443
120 HA GLN 13 HA GLN 13 2.434 -1.652 5.061
121 HB2 GLN 13 HB2 GLN 13 4.707 -0.400 4.171
122 HB3 GLN 13 HB3 GLN 13 4.564 -2.005 4.819
123 HG2 GLN 13 HG2 GLN 13 5.586 -2.528 2.971
124 HG3 GLN 13 HG3 GLN 13 3.986 -2.478 2.282
125 HE21 GLN 13 HE21 GLN 13 3.473 0.145 1.833
126 HE22 GLN 13 HE22 GLN 13 4.682 0.844 0.821
127 H PHE 14 H PHE 14 3.790 0.222 5.867
128 HA PHE 14 HA PHE 14 2.195 2.644 5.514
129 HB2 PHE 14 HB2 PHE 14 3.073 1.636 7.791
130 HB3 PHE 14 HB3 PHE 14 4.614 2.327 7.315
131 HD1 PHE 14 HD1 PHE 14 1.149 3.617 7.067
132 HD2 PHE 14 HD2 PHE 14 5.040 4.135 8.647
133 HE1 PHE 14 HE1 PHE 14 0.451 5.758 8.038
134 HE2 PHE 14 HE2 PHE 14 4.367 6.285 9.625
135 HZ PHE 14 HZ PHE 14 2.069 7.092 9.316
136 H GLU 15 H GLU 15 5.109 1.246 4.413
137 HA GLU 15 HA GLU 15 6.568 3.663 3.896
138 HB2 GLU 15 HB2 GLU 15 7.139 1.004 4.155
139 HB3 GLU 15 HB3 GLU 15 7.318 1.265 2.470
140 HG2 GLU 15 HG2 GLU 15 8.560 3.358 3.957
141 HG3 GLU 15 HG3 GLU 15 9.118 1.789 4.521
142 H ARG 16 H ARG 16 7.616 3.460 1.694
143 HA ARG 16 HA ARG 16 5.948 4.475 -0.284
144 HB2 ARG 16 HB2 ARG 16 8.323 4.808 -0.346
145 HB3 ARG 16 HB3 ARG 16 8.635 3.086 -0.295
146 HG2 ARG 16 HG2 ARG 16 7.498 2.926 -2.502
147 HG3 ARG 16 HG3 ARG 16 7.566 4.684 -2.591
148 HD2 ARG 16 HD2 ARG 16 9.444 3.669 -3.778
149 HD3 ARG 16 HD3 ARG 16 10.001 4.596 -2.388
150 HE ARG 16 HE ARG 16 9.977 1.674 -2.641
151 HH11 ARG 16 HH11 ARG 16 10.878 4.526 -0.808
152 HH12 ARG 16 HH12 ARG 16 11.951 3.659 0.235
153 HH21 ARG 16 HH21 ARG 16 11.389 0.548 -1.258
154 HH22 ARG 16 HH22 ARG 16 12.242 1.405 -0.018
155 HA PRO 17 HA PRO 17 3.695 1.006 -1.816
156 HB2 PRO 17 HB2 PRO 17 4.352 1.104 -4.532
157 HB3 PRO 17 HB3 PRO 17 3.006 1.940 -3.761
158 HG2 PRO 17 HG2 PRO 17 5.718 2.965 -4.451
159 HG3 PRO 17 HG3 PRO 17 4.153 3.790 -4.552
160 HD2 PRO 17 HD2 PRO 17 5.846 4.328 -2.577
161 HD3 PRO 17 HD3 PRO 17 4.125 4.185 -2.274
162 H LYS 18 H LYS 18 4.147 -1.098 -1.869
163 HA LYS 18 HA LYS 18 6.876 -1.980 -1.874
164 HB2 LYS 18 HB2 LYS 18 4.484 -3.148 -0.954
165 HB3 LYS 18 HB3 LYS 18 4.990 -4.174 -2.279
166 HG2 LYS 18 HG2 LYS 18 6.291 -3.668 0.345
167 HG3 LYS 18 HG3 LYS 18 6.011 -5.184 -0.509
168 HD2 LYS 18 HD2 LYS 18 7.739 -4.489 -2.172
169 HD3 LYS 18 HD3 LYS 18 8.089 -3.094 -1.150
170 HE2 LYS 18 HE2 LYS 18 9.489 -4.347 0.030
171 HE3 LYS 18 HE3 LYS 18 8.130 -5.352 0.530
172 HZ1 LYS 18 HZ1 LYS 18 9.876 -5.758 -1.836
173 HZ2 LYS 18 HZ2 LYS 18 8.474 -6.655 -1.535
174 HZ3 LYS 18 HZ3 LYS 18 9.777 -6.737 -0.460
175 H GLY 19 H GLY 19 6.800 -0.719 -4.018
176 HA2 GLY 19 HA2 GLY 19 7.860 -1.984 -6.056
177 HA3 GLY 19 HA3 GLY 19 6.168 -2.354 -6.327
178 H LEU 20 H LEU 20 6.011 0.759 -5.040
179 HA LEU 20 HA LEU 20 5.541 2.766 -6.073
180 HB2 LEU 20 HB2 LEU 20 8.142 1.868 -6.831
181 HB3 LEU 20 HB3 LEU 20 7.477 2.801 -8.144
182 HG LEU 20 HG LEU 20 7.694 3.886 -5.318
183 HD11 LEU 20 HD11 LEU 20 9.908 3.233 -6.069
184 HD12 LEU 20 HD12 LEU 20 9.741 4.988 -6.029
185 HD13 LEU 20 HD13 LEU 20 9.678 4.131 -7.569
186 HD21 LEU 20 HD21 LEU 20 6.519 5.564 -6.233
187 HD22 LEU 20 HD22 LEU 20 6.676 4.886 -7.856
188 HD23 LEU 20 HD23 LEU 20 7.949 5.913 -7.202
189 H VAL 21 H VAL 21 3.746 1.233 -6.837
190 HA VAL 21 HA VAL 21 3.389 1.561 -9.661
191 HB VAL 21 HB VAL 21 2.181 -0.898 -8.656
192 HG11 VAL 21 HG11 VAL 21 3.795 -1.279 -10.958
193 HG12 VAL 21 HG12 VAL 21 2.945 0.251 -11.173
194 HG13 VAL 21 HG13 VAL 21 2.035 -1.228 -10.865
195 HG21 VAL 21 HG21 VAL 21 5.020 -1.011 -9.360
196 HG22 VAL 21 HG22 VAL 21 4.039 -2.091 -8.372
197 HG23 VAL 21 HG23 VAL 21 4.558 -0.536 -7.739
198 H LYS 22 H LYS 22 1.210 0.478 -10.141
199 HA LYS 22 HA LYS 22 -0.843 2.176 -8.948
200 HB2 LYS 22 HB2 LYS 22 -0.661 0.662 -11.557
201 HB3 LYS 22 HB3 LYS 22 -2.201 1.257 -10.954
202 HG2 LYS 22 HG2 LYS 22 -1.664 3.445 -11.326
203 HG3 LYS 22 HG3 LYS 22 0.069 3.166 -11.147
204 HD2 LYS 22 HD2 LYS 22 -0.681 1.649 -13.365
205 HD3 LYS 22 HD3 LYS 22 -1.561 3.169 -13.534
206 HE2 LYS 22 HE2 LYS 22 1.376 3.092 -12.906
207 HE3 LYS 22 HE3 LYS 22 0.776 3.029 -14.563
208 HZ1 LYS 22 HZ1 LYS 22 0.281 5.205 -12.602
209 HZ2 LYS 22 HZ2 LYS 22 -0.373 5.140 -14.160
210 HZ3 LYS 22 HZ3 LYS 22 1.299 5.285 -13.951
211 H GLY 23 H GLY 23 -3.105 0.876 -8.908
212 HA2 GLY 23 HA2 GLY 23 -4.205 -1.234 -8.238
213 HA3 GLY 23 HA3 GLY 23 -2.607 -1.925 -8.038
214 H TRP 24 H TRP 24 -1.523 0.253 -6.605
215 HA TRP 24 HA TRP 24 -1.877 -0.439 -3.983
216 HB2 TRP 24 HB2 TRP 24 -0.681 1.912 -5.446
217 HB3 TRP 24 HB3 TRP 24 -0.560 1.751 -3.715
218 HD1 TRP 24 HD1 TRP 24 1.218 0.721 -6.804
219 HE1 TRP 24 HE1 TRP 24 3.009 -0.962 -6.236
220 HE3 TRP 24 HE3 TRP 24 -0.236 -0.441 -2.063
221 HZ2 TRP 24 HZ2 TRP 24 3.724 -2.651 -4.118
222 HZ3 TRP 24 HZ3 TRP 24 1.025 -2.195 -0.887
223 HH2 TRP 24 HH2 TRP 24 2.977 -3.211 -1.855
224 H GLU 25 H GLU 25 -3.149 0.371 -2.292
225 HA GLU 25 HA GLU 25 -4.628 2.856 -2.693
226 HB2 GLU 25 HB2 GLU 25 -5.938 0.166 -2.674
227 HB3 GLU 25 HB3 GLU 25 -6.733 1.473 -1.812
228 HG2 GLU 25 HG2 GLU 25 -7.682 1.970 -3.753
229 HG3 GLU 25 HG3 GLU 25 -6.120 2.646 -4.208
230 H LYS 26 H LYS 26 -4.155 3.944 -0.892
231 HA LYS 26 HA LYS 26 -3.356 2.654 1.494
232 HB2 LYS 26 HB2 LYS 26 -2.506 4.985 1.072
233 HB3 LYS 26 HB3 LYS 26 -4.138 5.560 0.900
234 HG2 LYS 26 HG2 LYS 26 -4.561 5.360 3.264
235 HG3 LYS 26 HG3 LYS 26 -2.961 4.648 3.522
236 HD2 LYS 26 HD2 LYS 26 -1.856 6.642 3.037
237 HD3 LYS 26 HD3 LYS 26 -3.269 7.322 2.212
238 HE2 LYS 26 HE2 LYS 26 -4.476 7.485 4.352
239 HE3 LYS 26 HE3 LYS 26 -3.082 6.776 5.179
240 HZ1 LYS 26 HZ1 LYS 26 -1.755 8.685 4.502
241 HZ2 LYS 26 HZ2 LYS 26 -3.099 9.171 5.405
242 HZ3 LYS 26 HZ3 LYS 26 -3.096 9.366 3.725
243 H ARG 27 H ARG 27 -4.477 1.942 3.204
244 HA ARG 27 HA ARG 27 -7.365 2.548 3.312
245 HB2 ARG 27 HB2 ARG 27 -6.164 0.033 3.016
246 HB3 ARG 27 HB3 ARG 27 -6.699 0.011 4.653
247 HG2 ARG 27 HG2 ARG 27 -8.222 0.174 2.081
248 HG3 ARG 27 HG3 ARG 27 -8.469 -0.862 3.469
249 HD2 ARG 27 HD2 ARG 27 -9.639 0.761 4.644
250 HD3 ARG 27 HD3 ARG 27 -8.928 2.077 3.713
251 HE ARG 27 HE ARG 27 -11.268 0.548 3.053
252 HH11 ARG 27 HH11 ARG 27 -8.697 2.547 1.758
253 HH12 ARG 27 HH12 ARG 27 -9.597 3.004 0.352
254 HH21 ARG 27 HH21 ARG 27 -12.445 1.155 1.198
255 HH22 ARG 27 HH22 ARG 27 -11.723 2.215 0.034
256 H TRP 28 H TRP 28 -8.313 2.143 5.411
257 HA TRP 28 HA TRP 28 -6.668 3.291 7.549
258 HB2 TRP 28 HB2 TRP 28 -8.729 4.484 7.054
259 HB3 TRP 28 HB3 TRP 28 -9.673 3.030 7.293
260 HD1 TRP 28 HD1 TRP 28 -11.040 3.510 9.368
261 HE1 TRP 28 HE1 TRP 28 -10.565 4.296 11.757
262 HE3 TRP 28 HE3 TRP 28 -6.085 4.607 8.866
263 HZ2 TRP 28 HZ2 TRP 28 -8.367 5.269 13.248
264 HZ3 TRP 28 HZ3 TRP 28 -4.865 5.469 10.821
265 HH2 TRP 28 HH2 TRP 28 -5.984 5.793 12.966
266 H ASP 29 H ASP 29 -5.659 1.716 8.598
267 HA ASP 29 HA ASP 29 -7.240 -0.217 10.055
268 HB2 ASP 29 HB2 ASP 29 -5.980 -0.932 7.583
269 HB3 ASP 29 HB3 ASP 29 -5.185 -1.797 8.900
Start of MODEL 17
1 H1 ARG 1 H1 ARG 1 -4.255 2.995 11.921
2 H2 ARG 1 H2 ARG 1 -5.107 4.312 11.230
3 H3 ARG 1 H3 ARG 1 -4.198 4.536 12.667
4 HA ARG 1 HA ARG 1 -2.828 5.417 11.122
5 HB2 ARG 1 HB2 ARG 1 -2.278 2.603 11.863
6 HB3 ARG 1 HB3 ARG 1 -1.319 3.214 10.528
7 HG2 ARG 1 HG2 ARG 1 -0.485 5.026 11.926
8 HG3 ARG 1 HG3 ARG 1 -1.490 4.466 13.263
9 HD2 ARG 1 HD2 ARG 1 -0.173 2.194 12.686
10 HD3 ARG 1 HD3 ARG 1 1.038 3.381 12.203
11 HE ARG 1 HE ARG 1 -0.083 3.894 14.794
12 HH11 ARG 1 HH11 ARG 1 2.368 2.083 13.066
13 HH12 ARG 1 HH12 ARG 1 3.395 1.919 14.450
14 HH21 ARG 1 HH21 ARG 1 1.274 3.674 16.611
15 HH22 ARG 1 HH22 ARG 1 2.774 2.821 16.463
16 H TRP 2 H TRP 2 -1.609 5.120 9.033
17 HA TRP 2 HA TRP 2 -3.495 4.211 6.964
18 HB2 TRP 2 HB2 TRP 2 -1.475 6.427 6.996
19 HB3 TRP 2 HB3 TRP 2 -2.227 5.884 5.538
20 HD1 TRP 2 HD1 TRP 2 -2.594 8.404 8.062
21 HE1 TRP 2 HE1 TRP 2 -4.957 9.446 8.030
22 HE3 TRP 2 HE3 TRP 2 -4.883 4.946 5.191
23 HZ2 TRP 2 HZ2 TRP 2 -7.489 8.836 6.894
24 HZ3 TRP 2 HZ3 TRP 2 -7.280 5.210 4.647
25 HH2 TRP 2 HH2 TRP 2 -8.553 7.121 5.487
26 H PHE 3 H PHE 3 -2.666 3.288 5.039
27 HA PHE 3 HA PHE 3 0.079 2.675 4.715
28 HB2 PHE 3 HB2 PHE 3 -0.052 0.210 4.882
29 HB3 PHE 3 HB3 PHE 3 -0.270 1.022 6.386
30 HD1 PHE 3 HD1 PHE 3 -2.999 1.470 6.807
31 HD2 PHE 3 HD2 PHE 3 -1.192 -1.637 4.525
32 HE1 PHE 3 HE1 PHE 3 -5.007 0.071 7.100
33 HE2 PHE 3 HE2 PHE 3 -3.179 -3.036 4.821
34 HZ PHE 3 HZ PHE 3 -5.101 -2.180 6.113
35 H TYR 4 H TYR 4 0.011 0.584 2.922
36 HA TYR 4 HA TYR 4 -1.830 1.482 0.859
37 HB2 TYR 4 HB2 TYR 4 1.056 0.768 0.398
38 HB3 TYR 4 HB3 TYR 4 -0.028 1.698 -0.576
39 HD1 TYR 4 HD2 TYR 4 1.816 1.760 2.621
40 HD2 TYR 4 HD1 TYR 4 -0.093 4.045 -0.419
41 HE1 TYR 4 HE2 TYR 4 2.677 3.769 3.632
42 HE2 TYR 4 HE1 TYR 4 0.764 6.103 0.607
43 HH TYR 4 HH TYR 4 1.633 6.552 3.411
44 H PHE 5 H PHE 5 -2.669 -0.118 -0.395
45 HA PHE 5 HA PHE 5 -1.576 -2.817 -0.005
46 HB2 PHE 5 HB2 PHE 5 -3.783 -2.522 1.073
47 HB3 PHE 5 HB3 PHE 5 -4.481 -2.127 -0.473
48 HD1 PHE 5 HD1 PHE 5 -2.180 -4.822 0.744
49 HD2 PHE 5 HD2 PHE 5 -5.727 -3.813 -1.375
50 HE1 PHE 5 HE1 PHE 5 -2.531 -7.187 0.193
51 HE2 PHE 5 HE2 PHE 5 -6.080 -6.166 -1.922
52 HZ PHE 5 HZ PHE 5 -4.481 -7.842 -1.147
53 H ASN 6 H ASN 6 -0.935 -3.822 -1.805
54 HA ASN 6 HA ASN 6 -1.833 -2.685 -4.360
55 HB2 ASN 6 HB2 ASN 6 0.637 -2.765 -4.005
56 HB3 ASN 6 HB3 ASN 6 0.546 -4.478 -3.712
57 HD21 ASN 6 HD21 ASN 6 -0.736 -2.195 -6.149
58 HD22 ASN 6 HD22 ASN 6 -0.282 -3.120 -7.529
59 H ARG 7 H ARG 7 -3.488 -3.689 -5.172
60 HA ARG 7 HA ARG 7 -4.345 -6.266 -4.379
61 HB2 ARG 7 HB2 ARG 7 -6.251 -5.847 -5.621
62 HB3 ARG 7 HB3 ARG 7 -5.682 -4.243 -5.182
63 HG2 ARG 7 HG2 ARG 7 -4.901 -3.783 -7.278
64 HG3 ARG 7 HG3 ARG 7 -4.878 -5.467 -7.762
65 HD2 ARG 7 HD2 ARG 7 -7.366 -5.508 -7.674
66 HD3 ARG 7 HD3 ARG 7 -7.346 -3.772 -7.291
67 HE ARG 7 HE ARG 7 -5.880 -4.371 -9.724
68 HH11 ARG 7 HH11 ARG 7 -9.108 -3.856 -8.422
69 HH12 ARG 7 HH12 ARG 7 -9.762 -3.326 -9.935
70 HH21 ARG 7 HH21 ARG 7 -6.760 -3.672 -11.700
71 HH22 ARG 7 HH22 ARG 7 -8.430 -3.221 -11.796
72 H ILE 8 H ILE 8 -2.331 -5.160 -6.958
73 HA ILE 8 HA ILE 8 -2.759 -7.361 -8.731
74 HB ILE 8 HB ILE 8 -0.461 -5.389 -8.547
75 HG12 ILE 8 HG12 ILE 8 -2.992 -4.783 -9.351
76 HG13 ILE 8 HG13 ILE 8 -1.550 -3.982 -9.942
77 HG21 ILE 8 HG21 ILE 8 -1.010 -7.408 -10.715
78 HG22 ILE 8 HG22 ILE 8 0.355 -7.393 -9.598
79 HG23 ILE 8 HG23 ILE 8 0.188 -6.117 -10.803
80 HD11 ILE 8 HD11 ILE 8 -2.144 -4.520 -11.990
81 HD12 ILE 8 HD12 ILE 8 -3.506 -5.462 -11.389
82 HD13 ILE 8 HD13 ILE 8 -1.930 -6.224 -11.597
83 H THR 9 H THR 9 -0.158 -6.603 -6.411
84 HA THR 9 HA THR 9 0.846 -9.328 -6.701
85 HB THR 9 HB THR 9 2.853 -8.587 -5.656
86 HG1 THR 9 HG1 THR 9 2.998 -6.401 -4.890
87 HG21 THR 9 HG21 THR 9 3.644 -6.994 -7.167
88 HG22 THR 9 HG22 THR 9 2.047 -6.261 -7.346
89 HG23 THR 9 HG23 THR 9 2.365 -7.857 -8.027
90 H GLY 10 H GLY 10 -0.903 -7.381 -4.598
91 HA2 GLY 10 HA2 GLY 10 -2.161 -7.966 -2.735
92 HA3 GLY 10 HA3 GLY 10 -1.388 -9.521 -2.785
93 H LYS 11 H LYS 11 0.794 -6.853 -2.822
94 HA LYS 11 HA LYS 11 1.651 -7.490 -0.146
95 HB2 LYS 11 HB2 LYS 11 2.846 -5.925 -2.429
96 HB3 LYS 11 HB3 LYS 11 3.624 -6.087 -0.866
97 HG2 LYS 11 HG2 LYS 11 2.824 -8.489 -2.452
98 HG3 LYS 11 HG3 LYS 11 4.324 -7.629 -2.804
99 HD2 LYS 11 HD2 LYS 11 3.849 -8.249 0.020
100 HD3 LYS 11 HD3 LYS 11 4.104 -9.648 -1.018
101 HE2 LYS 11 HE2 LYS 11 5.958 -7.329 -1.261
102 HE3 LYS 11 HE3 LYS 11 6.125 -8.393 0.134
103 HZ1 LYS 11 HZ1 LYS 11 7.544 -9.103 -1.680
104 HZ2 LYS 11 HZ2 LYS 11 6.211 -9.240 -2.713
105 HZ3 LYS 11 HZ3 LYS 11 6.356 -10.271 -1.379
106 H ARG 12 H ARG 12 2.196 -5.689 1.332
107 HA ARG 12 HA ARG 12 1.029 -3.149 0.976
108 HB2 ARG 12 HB2 ARG 12 -0.812 -3.456 2.388
109 HB3 ARG 12 HB3 ARG 12 -0.806 -4.902 1.425
110 HG2 ARG 12 HG2 ARG 12 0.262 -4.642 4.217
111 HG3 ARG 12 HG3 ARG 12 -1.287 -5.322 3.776
112 HD2 ARG 12 HD2 ARG 12 1.384 -6.410 2.875
113 HD3 ARG 12 HD3 ARG 12 0.449 -7.018 4.235
114 HE ARG 12 HE ARG 12 -0.711 -7.077 1.496
115 HH11 ARG 12 HH11 ARG 12 0.259 -8.747 4.445
116 HH12 ARG 12 HH12 ARG 12 -0.555 -10.210 4.014
117 HH21 ARG 12 HH21 ARG 12 -1.771 -9.009 0.966
118 HH22 ARG 12 HH22 ARG 12 -1.699 -10.363 2.044
119 H GLN 13 H GLN 13 1.755 -1.694 2.607
120 HA GLN 13 HA GLN 13 2.826 -2.570 5.095
121 HB2 GLN 13 HB2 GLN 13 4.937 -1.094 4.236
122 HB3 GLN 13 HB3 GLN 13 4.926 -2.821 4.495
123 HG2 GLN 13 HG2 GLN 13 5.880 -2.457 2.461
124 HG3 GLN 13 HG3 GLN 13 4.252 -2.995 2.110
125 HE21 GLN 13 HE21 GLN 13 6.136 -1.130 0.475
126 HE22 GLN 13 HE22 GLN 13 5.144 0.247 0.213
127 H PHE 14 H PHE 14 4.225 -0.646 5.934
128 HA PHE 14 HA PHE 14 2.379 1.634 6.002
129 HB2 PHE 14 HB2 PHE 14 3.779 0.423 8.051
130 HB3 PHE 14 HB3 PHE 14 4.767 1.833 7.688
131 HD1 PHE 14 HD2 PHE 14 1.436 0.691 8.705
132 HD2 PHE 14 HD1 PHE 14 4.008 4.028 8.221
133 HE1 PHE 14 HE2 PHE 14 -0.149 2.072 9.922
134 HE2 PHE 14 HE1 PHE 14 2.429 5.434 9.441
135 HZ PHE 14 HZ PHE 14 0.343 4.457 10.299
136 H GLU 15 H GLU 15 5.135 0.681 4.356
137 HA GLU 15 HA GLU 15 6.263 3.335 4.143
138 HB2 GLU 15 HB2 GLU 15 7.217 0.767 3.953
139 HB3 GLU 15 HB3 GLU 15 7.246 1.347 2.341
140 HG2 GLU 15 HG2 GLU 15 8.243 3.339 4.079
141 HG3 GLU 15 HG3 GLU 15 9.041 1.813 4.434
142 H ARG 16 H ARG 16 7.021 3.708 1.933
143 HA ARG 16 HA ARG 16 4.984 4.540 0.242
144 HB2 ARG 16 HB2 ARG 16 7.192 5.481 0.119
145 HB3 ARG 16 HB3 ARG 16 7.916 3.911 -0.158
146 HG2 ARG 16 HG2 ARG 16 6.651 3.815 -2.288
147 HG3 ARG 16 HG3 ARG 16 6.260 5.519 -2.064
148 HD2 ARG 16 HD2 ARG 16 9.098 4.584 -1.896
149 HD3 ARG 16 HD3 ARG 16 8.351 4.837 -3.470
150 HE ARG 16 HE ARG 16 7.887 7.115 -1.927
151 HH11 ARG 16 HH11 ARG 16 10.595 5.436 -3.378
152 HH12 ARG 16 HH12 ARG 16 11.546 6.871 -3.557
153 HH21 ARG 16 HH21 ARG 16 9.144 9.001 -2.160
154 HH22 ARG 16 HH22 ARG 16 10.722 8.897 -2.865
155 HA PRO 17 HA PRO 17 3.252 0.920 -1.562
156 HB2 PRO 17 HB2 PRO 17 4.052 1.622 -4.265
157 HB3 PRO 17 HB3 PRO 17 2.441 1.560 -3.565
158 HG2 PRO 17 HG2 PRO 17 4.174 3.862 -3.968
159 HG3 PRO 17 HG3 PRO 17 2.454 3.815 -3.572
160 HD2 PRO 17 HD2 PRO 17 4.354 4.659 -1.830
161 HD3 PRO 17 HD3 PRO 17 2.876 3.866 -1.337
162 H LYS 18 H LYS 18 4.000 -1.064 -1.755
163 HA LYS 18 HA LYS 18 6.791 -1.600 -1.797
164 HB2 LYS 18 HB2 LYS 18 4.588 -3.134 -1.051
165 HB3 LYS 18 HB3 LYS 18 5.100 -3.903 -2.542
166 HG2 LYS 18 HG2 LYS 18 6.467 -3.710 0.080
167 HG3 LYS 18 HG3 LYS 18 6.291 -5.086 -1.008
168 HD2 LYS 18 HD2 LYS 18 7.864 -3.858 -2.583
169 HD3 LYS 18 HD3 LYS 18 8.197 -2.767 -1.236
170 HE2 LYS 18 HE2 LYS 18 8.450 -5.737 -0.919
171 HE3 LYS 18 HE3 LYS 18 9.759 -4.785 -1.617
172 HZ1 LYS 18 HZ1 LYS 18 10.070 -5.070 0.750
173 HZ2 LYS 18 HZ2 LYS 18 8.558 -4.383 1.071
174 HZ3 LYS 18 HZ3 LYS 18 9.792 -3.439 0.400
175 H GLY 19 H GLY 19 6.722 -0.138 -3.741
176 HA2 GLY 19 HA2 GLY 19 7.979 -0.899 -5.861
177 HA3 GLY 19 HA3 GLY 19 6.400 -1.542 -6.270
178 H LEU 20 H LEU 20 5.684 1.364 -4.596
179 HA LEU 20 HA LEU 20 4.840 3.323 -5.448
180 HB2 LEU 20 HB2 LEU 20 7.600 3.073 -6.070
181 HB3 LEU 20 HB3 LEU 20 6.851 3.909 -7.406
182 HG LEU 20 HG LEU 20 6.657 4.851 -4.531
183 HD11 LEU 20 HD11 LEU 20 8.548 5.782 -6.683
184 HD12 LEU 20 HD12 LEU 20 8.993 4.773 -5.306
185 HD13 LEU 20 HD13 LEU 20 8.411 6.417 -5.043
186 HD21 LEU 20 HD21 LEU 20 5.494 5.725 -7.056
187 HD22 LEU 20 HD22 LEU 20 6.457 6.989 -6.296
188 HD23 LEU 20 HD23 LEU 20 5.130 6.247 -5.408
189 H VAL 21 H VAL 21 3.552 1.408 -6.534
190 HA VAL 21 HA VAL 21 3.241 2.036 -9.323
191 HB VAL 21 HB VAL 21 2.282 -0.624 -8.599
192 HG11 VAL 21 HG11 VAL 21 4.009 -0.648 -10.829
193 HG12 VAL 21 HG12 VAL 21 3.063 0.834 -10.959
194 HG13 VAL 21 HG13 VAL 21 2.246 -0.724 -10.833
195 HG21 VAL 21 HG21 VAL 21 4.248 -1.620 -8.305
196 HG22 VAL 21 HG22 VAL 21 4.584 -0.073 -7.545
197 HG23 VAL 21 HG23 VAL 21 5.137 -0.380 -9.178
198 H LYS 22 H LYS 22 1.224 0.753 -10.027
199 HA LYS 22 HA LYS 22 -1.050 2.180 -8.912
200 HB2 LYS 22 HB2 LYS 22 -0.581 0.696 -11.496
201 HB3 LYS 22 HB3 LYS 22 -2.207 1.097 -10.969
202 HG2 LYS 22 HG2 LYS 22 -1.988 3.089 -11.893
203 HG3 LYS 22 HG3 LYS 22 -0.695 3.460 -10.753
204 HD2 LYS 22 HD2 LYS 22 0.474 1.835 -12.713
205 HD3 LYS 22 HD3 LYS 22 -0.555 2.968 -13.591
206 HE2 LYS 22 HE2 LYS 22 1.589 3.978 -13.393
207 HE3 LYS 22 HE3 LYS 22 0.514 4.815 -12.275
208 HZ1 LYS 22 HZ1 LYS 22 2.272 2.592 -11.413
209 HZ2 LYS 22 HZ2 LYS 22 1.477 3.729 -10.446
210 HZ3 LYS 22 HZ3 LYS 22 2.785 4.204 -11.407
211 H GLY 23 H GLY 23 -3.161 0.694 -8.951
212 HA2 GLY 23 HA2 GLY 23 -4.130 -1.474 -8.294
213 HA3 GLY 23 HA3 GLY 23 -2.495 -2.069 -8.083
214 H TRP 24 H TRP 24 -1.505 0.077 -6.568
215 HA TRP 24 HA TRP 24 -1.911 -0.674 -3.979
216 HB2 TRP 24 HB2 TRP 24 -0.806 1.789 -5.321
217 HB3 TRP 24 HB3 TRP 24 -0.714 1.551 -3.596
218 HD1 TRP 24 HD1 TRP 24 1.127 0.732 -6.701
219 HE1 TRP 24 HE1 TRP 24 2.998 -0.896 -6.192
220 HE3 TRP 24 HE3 TRP 24 -0.265 -0.647 -1.997
221 HZ2 TRP 24 HZ2 TRP 24 3.771 -2.640 -4.138
222 HZ3 TRP 24 HZ3 TRP 24 1.058 -2.410 -0.896
223 HH2 TRP 24 HH2 TRP 24 3.048 -3.310 -1.899
224 H GLU 25 H GLU 25 -3.191 0.095 -2.276
225 HA GLU 25 HA GLU 25 -4.921 2.400 -2.823
226 HB2 GLU 25 HB2 GLU 25 -5.890 -0.290 -2.918
227 HB3 GLU 25 HB3 GLU 25 -6.537 0.475 -1.474
228 HG2 GLU 25 HG2 GLU 25 -7.945 1.730 -2.644
229 HG3 GLU 25 HG3 GLU 25 -6.704 2.188 -3.809
230 H LYS 26 H LYS 26 -4.373 3.729 -1.238
231 HA LYS 26 HA LYS 26 -3.319 2.881 1.234
232 HB2 LYS 26 HB2 LYS 26 -2.807 5.224 0.522
233 HB3 LYS 26 HB3 LYS 26 -4.511 5.555 0.303
234 HG2 LYS 26 HG2 LYS 26 -4.865 5.533 2.736
235 HG3 LYS 26 HG3 LYS 26 -3.138 5.218 2.972
236 HD2 LYS 26 HD2 LYS 26 -2.964 7.447 3.096
237 HD3 LYS 26 HD3 LYS 26 -3.074 7.381 1.329
238 HE2 LYS 26 HE2 LYS 26 -5.505 7.718 1.430
239 HE3 LYS 26 HE3 LYS 26 -5.425 7.725 3.198
240 HZ1 LYS 26 HZ1 LYS 26 -4.111 9.723 3.132
241 HZ2 LYS 26 HZ2 LYS 26 -5.529 9.964 2.243
242 HZ3 LYS 26 HZ3 LYS 26 -4.065 9.696 1.441
243 H ARG 27 H ARG 27 -4.267 2.315 3.118
244 HA ARG 27 HA ARG 27 -7.157 2.798 3.406
245 HB2 ARG 27 HB2 ARG 27 -6.099 0.341 2.718
246 HB3 ARG 27 HB3 ARG 27 -6.310 0.117 4.411
247 HG2 ARG 27 HG2 ARG 27 -8.629 -0.020 4.160
248 HG3 ARG 27 HG3 ARG 27 -8.663 1.068 2.774
249 HD2 ARG 27 HD2 ARG 27 -9.040 -0.847 1.673
250 HD3 ARG 27 HD3 ARG 27 -7.281 -0.937 1.694
251 HE ARG 27 HE ARG 27 -9.140 -2.505 3.310
252 HH11 ARG 27 HH11 ARG 27 -5.812 -1.738 2.510
253 HH12 ARG 27 HH12 ARG 27 -5.181 -3.167 3.254
254 HH21 ARG 27 HH21 ARG 27 -8.295 -4.380 4.286
255 HH22 ARG 27 HH22 ARG 27 -6.587 -4.664 4.262
256 H TRP 28 H TRP 28 -7.945 2.234 5.515
257 HA TRP 28 HA TRP 28 -6.318 3.468 7.563
258 HB2 TRP 28 HB2 TRP 28 -8.792 3.954 7.157
259 HB3 TRP 28 HB3 TRP 28 -9.119 2.390 7.876
260 HD1 TRP 28 HD1 TRP 28 -10.049 2.833 10.160
261 HE1 TRP 28 HE1 TRP 28 -9.439 4.290 12.175
262 HE3 TRP 28 HE3 TRP 28 -6.147 5.399 8.118
263 HZ2 TRP 28 HZ2 TRP 28 -7.543 6.288 12.821
264 HZ3 TRP 28 HZ3 TRP 28 -4.987 7.073 9.498
265 HH2 TRP 28 HH2 TRP 28 -5.672 7.509 11.800
266 H ASP 29 H ASP 29 -5.780 2.570 9.555
267 HA ASP 29 HA ASP 29 -5.908 -0.376 9.699
268 HB2 ASP 29 HB2 ASP 29 -3.598 0.728 9.375
269 HB3 ASP 29 HB3 ASP 29 -3.750 1.257 11.034
Start of MODEL 18
1 H1 ARG 1 H1 ARG 1 -4.099 3.052 13.376
2 H2 ARG 1 H2 ARG 1 -5.128 2.820 12.022
3 H3 ARG 1 H3 ARG 1 -4.718 4.407 12.530
4 HA ARG 1 HA ARG 1 -2.625 4.305 11.738
5 HB2 ARG 1 HB2 ARG 1 -2.522 1.850 12.883
6 HB3 ARG 1 HB3 ARG 1 -2.722 1.344 11.217
7 HG2 ARG 1 HG2 ARG 1 -0.506 3.197 12.080
8 HG3 ARG 1 HG3 ARG 1 -0.365 1.445 12.081
9 HD2 ARG 1 HD2 ARG 1 -1.429 2.277 9.575
10 HD3 ARG 1 HD3 ARG 1 0.010 3.227 9.929
11 HE ARG 1 HE ARG 1 1.294 1.270 9.893
12 HH11 ARG 1 HH11 ARG 1 -2.089 0.585 9.274
13 HH12 ARG 1 HH12 ARG 1 -1.775 -0.987 8.625
14 HH21 ARG 1 HH21 ARG 1 1.693 -0.802 9.033
15 HH22 ARG 1 HH22 ARG 1 0.368 -1.775 8.487
16 H TRP 2 H TRP 2 -2.001 4.463 9.619
17 HA TRP 2 HA TRP 2 -4.027 3.720 7.613
18 HB2 TRP 2 HB2 TRP 2 -2.194 6.085 7.838
19 HB3 TRP 2 HB3 TRP 2 -2.920 5.657 6.331
20 HD1 TRP 2 HD1 TRP 2 -3.504 7.687 9.263
21 HE1 TRP 2 HE1 TRP 2 -5.944 8.534 9.339
22 HE3 TRP 2 HE3 TRP 2 -5.430 4.666 5.718
23 HZ2 TRP 2 HZ2 TRP 2 -8.392 7.953 8.011
24 HZ3 TRP 2 HZ3 TRP 2 -7.828 4.839 5.142
25 HH2 TRP 2 HH2 TRP 2 -9.275 6.454 6.271
26 H PHE 3 H PHE 3 -3.204 3.146 5.479
27 HA PHE 3 HA PHE 3 -0.492 2.830 4.904
28 HB2 PHE 3 HB2 PHE 3 -0.060 0.531 5.174
29 HB3 PHE 3 HB3 PHE 3 -0.643 1.176 6.673
30 HD1 PHE 3 HD2 PHE 3 -3.410 0.980 6.775
31 HD2 PHE 3 HD1 PHE 3 -0.706 -1.527 4.654
32 HE1 PHE 3 HE2 PHE 3 -5.111 -0.804 6.733
33 HE2 PHE 3 HE1 PHE 3 -2.406 -3.315 4.603
34 HZ PHE 3 HZ PHE 3 -4.607 -2.953 5.647
35 H TYR 4 H TYR 4 -0.050 1.365 3.078
36 HA TYR 4 HA TYR 4 -2.206 1.714 1.174
37 HB2 TYR 4 HB2 TYR 4 0.611 1.294 0.352
38 HB3 TYR 4 HB3 TYR 4 -0.589 2.409 -0.210
39 HD1 TYR 4 HD1 TYR 4 -0.993 3.476 2.872
40 HD2 TYR 4 HD2 TYR 4 2.257 3.055 0.161
41 HE1 TYR 4 HE1 TYR 4 0.129 5.237 4.014
42 HE2 TYR 4 HE2 TYR 4 3.426 4.857 1.332
43 HH TYR 4 HH TYR 4 3.030 5.831 4.125
44 H PHE 5 H PHE 5 -2.879 0.150 -0.153
45 HA PHE 5 HA PHE 5 -1.796 -2.555 0.247
46 HB2 PHE 5 HB2 PHE 5 -4.039 -2.181 1.202
47 HB3 PHE 5 HB3 PHE 5 -4.639 -1.771 -0.378
48 HD1 PHE 5 HD1 PHE 5 -2.503 -4.571 0.920
49 HD2 PHE 5 HD2 PHE 5 -5.959 -3.385 -1.258
50 HE1 PHE 5 HE1 PHE 5 -2.972 -6.915 0.387
51 HE2 PHE 5 HE2 PHE 5 -6.436 -5.725 -1.785
52 HZ PHE 5 HZ PHE 5 -4.944 -7.478 -0.968
53 H ASN 6 H ASN 6 -1.121 -3.634 -1.519
54 HA ASN 6 HA ASN 6 -1.801 -2.459 -4.123
55 HB2 ASN 6 HB2 ASN 6 0.641 -2.717 -3.675
56 HB3 ASN 6 HB3 ASN 6 0.409 -4.412 -3.344
57 HD21 ASN 6 HD21 ASN 6 -0.598 -2.109 -5.887
58 HD22 ASN 6 HD22 ASN 6 -0.170 -3.110 -7.221
59 H ARG 7 H ARG 7 -3.586 -3.313 -4.850
60 HA ARG 7 HA ARG 7 -4.592 -5.856 -4.156
61 HB2 ARG 7 HB2 ARG 7 -6.469 -5.278 -5.381
62 HB3 ARG 7 HB3 ARG 7 -5.797 -3.733 -4.881
63 HG2 ARG 7 HG2 ARG 7 -4.991 -3.238 -6.959
64 HG3 ARG 7 HG3 ARG 7 -5.074 -4.900 -7.510
65 HD2 ARG 7 HD2 ARG 7 -7.558 -4.790 -7.422
66 HD3 ARG 7 HD3 ARG 7 -7.434 -3.078 -6.960
67 HE ARG 7 HE ARG 7 -6.006 -3.651 -9.423
68 HH11 ARG 7 HH11 ARG 7 -9.196 -2.999 -8.087
69 HH12 ARG 7 HH12 ARG 7 -9.820 -2.369 -9.574
70 HH21 ARG 7 HH21 ARG 7 -6.847 -2.819 -11.364
71 HH22 ARG 7 HH22 ARG 7 -8.487 -2.268 -11.435
72 H ILE 8 H ILE 8 -2.500 -4.830 -6.695
73 HA ILE 8 HA ILE 8 -3.096 -6.907 -8.558
74 HB ILE 8 HB ILE 8 -0.627 -5.173 -8.253
75 HG12 ILE 8 HG12 ILE 8 -3.064 -4.305 -9.094
76 HG13 ILE 8 HG13 ILE 8 -1.540 -3.632 -9.635
77 HG21 ILE 8 HG21 ILE 8 0.003 -7.235 -9.351
78 HG22 ILE 8 HG22 ILE 8 0.046 -5.890 -10.489
79 HG23 ILE 8 HG23 ILE 8 -1.297 -7.032 -10.526
80 HD11 ILE 8 HD11 ILE 8 -2.142 -4.053 -11.708
81 HD12 ILE 8 HD12 ILE 8 -3.596 -4.884 -11.161
82 HD13 ILE 8 HD13 ILE 8 -2.091 -5.780 -11.363
83 H THR 9 H THR 9 -0.498 -6.520 -6.148
84 HA THR 9 HA THR 9 0.208 -9.332 -6.529
85 HB THR 9 HB THR 9 2.282 -8.856 -5.478
86 HG1 THR 9 HG1 THR 9 2.697 -6.824 -4.549
87 HG21 THR 9 HG21 THR 9 1.736 -6.395 -7.079
88 HG22 THR 9 HG22 THR 9 1.890 -7.991 -7.815
89 HG23 THR 9 HG23 THR 9 3.248 -7.295 -6.925
90 H GLY 10 H GLY 10 -1.340 -7.271 -4.385
91 HA2 GLY 10 HA2 GLY 10 -2.673 -7.801 -2.551
92 HA3 GLY 10 HA3 GLY 10 -1.979 -9.393 -2.584
93 H LYS 11 H LYS 11 0.294 -6.790 -2.640
94 HA LYS 11 HA LYS 11 1.158 -7.448 0.051
95 HB2 LYS 11 HB2 LYS 11 2.420 -5.916 -2.211
96 HB3 LYS 11 HB3 LYS 11 3.176 -6.194 -0.655
97 HG2 LYS 11 HG2 LYS 11 2.246 -8.462 -2.362
98 HG3 LYS 11 HG3 LYS 11 3.809 -7.697 -2.630
99 HD2 LYS 11 HD2 LYS 11 2.855 -9.126 -0.158
100 HD3 LYS 11 HD3 LYS 11 4.162 -9.601 -1.238
101 HE2 LYS 11 HE2 LYS 11 5.532 -8.574 0.191
102 HE3 LYS 11 HE3 LYS 11 4.892 -7.062 -0.449
103 HZ1 LYS 11 HZ1 LYS 11 4.160 -8.472 2.037
104 HZ2 LYS 11 HZ2 LYS 11 3.084 -7.379 1.325
105 HZ3 LYS 11 HZ3 LYS 11 4.612 -6.855 1.825
106 H ARG 12 H ARG 12 2.185 -5.384 1.130
107 HA ARG 12 HA ARG 12 0.651 -3.010 0.857
108 HB2 ARG 12 HB2 ARG 12 -0.467 -3.187 2.971
109 HB3 ARG 12 HB3 ARG 12 -0.884 -4.567 2.003
110 HG2 ARG 12 HG2 ARG 12 0.000 -5.994 3.480
111 HG3 ARG 12 HG3 ARG 12 1.378 -4.963 3.827
112 HD2 ARG 12 HD2 ARG 12 0.381 -4.722 5.816
113 HD3 ARG 12 HD3 ARG 12 -0.592 -3.529 4.962
114 HE ARG 12 HE ARG 12 -1.856 -5.976 4.634
115 HH11 ARG 12 HH11 ARG 12 -1.019 -3.849 7.288
116 HH12 ARG 12 HH12 ARG 12 -2.354 -4.349 8.271
117 HH21 ARG 12 HH21 ARG 12 -3.613 -6.629 5.933
118 HH22 ARG 12 HH22 ARG 12 -3.826 -5.927 7.502
119 H GLN 13 H GLN 13 1.618 -1.266 1.820
120 HA GLN 13 HA GLN 13 3.688 -1.654 3.812
121 HB2 GLN 13 HB2 GLN 13 4.080 -1.123 1.048
122 HB3 GLN 13 HB3 GLN 13 4.652 0.246 1.992
123 HG2 GLN 13 HG2 GLN 13 5.550 -1.991 3.349
124 HG3 GLN 13 HG3 GLN 13 5.713 -2.333 1.659
125 HE21 GLN 13 HE21 GLN 13 6.221 0.343 0.771
126 HE22 GLN 13 HE22 GLN 13 7.811 0.742 1.333
127 H PHE 14 H PHE 14 4.363 0.162 4.906
128 HA PHE 14 HA PHE 14 2.444 2.339 5.108
129 HB2 PHE 14 HB2 PHE 14 3.579 1.111 7.138
130 HB3 PHE 14 HB3 PHE 14 5.021 2.017 6.684
131 HD1 PHE 14 HD2 PHE 14 1.417 2.614 7.275
132 HD2 PHE 14 HD1 PHE 14 5.388 4.005 7.745
133 HE1 PHE 14 HE2 PHE 14 0.579 4.546 8.529
134 HE2 PHE 14 HE1 PHE 14 4.571 5.947 9.009
135 HZ PHE 14 HZ PHE 14 2.161 6.212 9.400
136 H GLU 15 H GLU 15 5.698 1.588 3.931
137 HA GLU 15 HA GLU 15 6.334 4.357 3.347
138 HB2 GLU 15 HB2 GLU 15 7.741 2.214 4.231
139 HB3 GLU 15 HB3 GLU 15 8.145 2.235 2.551
140 HG2 GLU 15 HG2 GLU 15 8.251 4.855 3.540
141 HG3 GLU 15 HG3 GLU 15 9.085 3.811 4.679
142 H ARG 16 H ARG 16 7.829 4.179 1.311
143 HA ARG 16 HA ARG 16 6.413 4.515 -0.951
144 HB2 ARG 16 HB2 ARG 16 8.748 5.024 -0.870
145 HB3 ARG 16 HB3 ARG 16 9.171 3.357 -0.525
146 HG2 ARG 16 HG2 ARG 16 8.017 2.930 -2.805
147 HG3 ARG 16 HG3 ARG 16 8.430 4.616 -3.102
148 HD2 ARG 16 HD2 ARG 16 10.561 4.080 -3.480
149 HD3 ARG 16 HD3 ARG 16 10.662 3.210 -1.950
150 HE ARG 16 HE ARG 16 10.251 2.087 -4.572
151 HH11 ARG 16 HH11 ARG 16 9.900 1.555 -1.127
152 HH12 ARG 16 HH12 ARG 16 9.865 -0.168 -1.274
153 HH21 ARG 16 HH21 ARG 16 10.199 -0.185 -4.757
154 HH22 ARG 16 HH22 ARG 16 10.033 -1.157 -3.333
155 HA PRO 17 HA PRO 17 4.213 0.686 -1.522
156 HB2 PRO 17 HB2 PRO 17 4.775 1.335 -4.385
157 HB3 PRO 17 HB3 PRO 17 3.280 0.786 -3.631
158 HG2 PRO 17 HG2 PRO 17 3.668 3.361 -4.228
159 HG3 PRO 17 HG3 PRO 17 2.783 2.864 -2.775
160 HD2 PRO 17 HD2 PRO 17 5.479 4.044 -3.018
161 HD3 PRO 17 HD3 PRO 17 4.383 4.022 -1.662
162 H LYS 18 H LYS 18 4.601 -1.413 -2.016
163 HA LYS 18 HA LYS 18 7.325 -2.253 -2.096
164 HB2 LYS 18 HB2 LYS 18 4.949 -3.540 -1.392
165 HB3 LYS 18 HB3 LYS 18 5.389 -4.325 -2.897
166 HG2 LYS 18 HG2 LYS 18 6.757 -4.343 -0.259
167 HG3 LYS 18 HG3 LYS 18 6.397 -5.673 -1.356
168 HD2 LYS 18 HD2 LYS 18 8.443 -5.557 -2.212
169 HD3 LYS 18 HD3 LYS 18 8.185 -3.873 -2.667
170 HE2 LYS 18 HE2 LYS 18 8.910 -4.633 0.142
171 HE3 LYS 18 HE3 LYS 18 10.148 -4.442 -1.098
172 HZ1 LYS 18 HZ1 LYS 18 9.272 -2.176 -1.483
173 HZ2 LYS 18 HZ2 LYS 18 9.906 -2.391 0.070
174 HZ3 LYS 18 HZ3 LYS 18 8.231 -2.376 -0.163
175 H GLY 19 H GLY 19 7.401 -0.712 -3.976
176 HA2 GLY 19 HA2 GLY 19 8.539 -1.376 -6.141
177 HA3 GLY 19 HA3 GLY 19 6.962 -2.030 -6.548
178 H LEU 20 H LEU 20 6.416 0.860 -4.732
179 HA LEU 20 HA LEU 20 5.492 2.840 -5.461
180 HB2 LEU 20 HB2 LEU 20 8.197 2.577 -6.295
181 HB3 LEU 20 HB3 LEU 20 7.362 3.479 -7.533
182 HG LEU 20 HG LEU 20 7.368 4.312 -4.616
183 HD11 LEU 20 HD11 LEU 20 9.180 5.312 -6.797
184 HD12 LEU 20 HD12 LEU 20 9.662 4.169 -5.544
185 HD13 LEU 20 HD13 LEU 20 9.162 5.801 -5.103
186 HD21 LEU 20 HD21 LEU 20 7.162 6.515 -6.302
187 HD22 LEU 20 HD22 LEU 20 5.857 5.791 -5.366
188 HD23 LEU 20 HD23 LEU 20 6.115 5.307 -7.044
189 H VAL 21 H VAL 21 4.034 1.064 -6.458
190 HA VAL 21 HA VAL 21 3.648 1.595 -9.255
191 HB VAL 21 HB VAL 21 2.503 -0.924 -8.318
192 HG11 VAL 21 HG11 VAL 21 3.280 0.302 -10.806
193 HG12 VAL 21 HG12 VAL 21 2.369 -1.184 -10.538
194 HG13 VAL 21 HG13 VAL 21 4.130 -1.229 -10.606
195 HG21 VAL 21 HG21 VAL 21 4.439 -2.081 -8.162
196 HG22 VAL 21 HG22 VAL 21 4.816 -0.584 -7.329
197 HG23 VAL 21 HG23 VAL 21 5.372 -0.831 -8.970
198 H LYS 22 H LYS 22 1.513 0.444 -9.813
199 HA LYS 22 HA LYS 22 -0.615 2.102 -8.711
200 HB2 LYS 22 HB2 LYS 22 -0.366 0.498 -11.265
201 HB3 LYS 22 HB3 LYS 22 -1.897 1.173 -10.728
202 HG2 LYS 22 HG2 LYS 22 -1.389 3.160 -11.561
203 HG3 LYS 22 HG3 LYS 22 0.149 3.192 -10.696
204 HD2 LYS 22 HD2 LYS 22 0.492 1.358 -12.788
205 HD3 LYS 22 HD3 LYS 22 -0.371 2.727 -13.491
206 HE2 LYS 22 HE2 LYS 22 1.841 3.351 -13.754
207 HE3 LYS 22 HE3 LYS 22 1.399 4.160 -12.251
208 HZ1 LYS 22 HZ1 LYS 22 3.561 3.022 -12.142
209 HZ2 LYS 22 HZ2 LYS 22 2.790 1.540 -12.405
210 HZ3 LYS 22 HZ3 LYS 22 2.462 2.426 -11.002
211 H GLY 23 H GLY 23 -2.835 0.800 -8.654
212 HA2 GLY 23 HA2 GLY 23 -3.941 -1.306 -7.980
213 HA3 GLY 23 HA3 GLY 23 -2.343 -1.992 -7.757
214 H TRP 24 H TRP 24 -1.308 0.256 -6.347
215 HA TRP 24 HA TRP 24 -1.734 -0.428 -3.708
216 HB2 TRP 24 HB2 TRP 24 -0.437 1.885 -5.153
217 HB3 TRP 24 HB3 TRP 24 -0.358 1.711 -3.421
218 HD1 TRP 24 HD1 TRP 24 1.494 0.701 -6.457
219 HE1 TRP 24 HE1 TRP 24 3.226 -1.035 -5.885
220 HE3 TRP 24 HE3 TRP 24 -0.126 -0.542 -1.787
221 HZ2 TRP 24 HZ2 TRP 24 3.853 -2.779 -3.788
222 HZ3 TRP 24 HZ3 TRP 24 1.081 -2.339 -0.615
223 HH2 TRP 24 HH2 TRP 24 3.046 -3.367 -1.556
224 H GLU 25 H GLU 25 -3.157 0.349 -2.152
225 HA GLU 25 HA GLU 25 -4.513 2.901 -2.626
226 HB2 GLU 25 HB2 GLU 25 -5.920 0.249 -2.633
227 HB3 GLU 25 HB3 GLU 25 -6.718 1.631 -1.899
228 HG2 GLU 25 HG2 GLU 25 -7.498 2.026 -3.943
229 HG3 GLU 25 HG3 GLU 25 -5.896 2.683 -4.268
230 H LYS 26 H LYS 26 -4.365 4.020 -0.785
231 HA LYS 26 HA LYS 26 -3.609 2.706 1.610
232 HB2 LYS 26 HB2 LYS 26 -2.794 5.062 1.292
233 HB3 LYS 26 HB3 LYS 26 -4.427 5.605 1.045
234 HG2 LYS 26 HG2 LYS 26 -4.978 5.317 3.384
235 HG3 LYS 26 HG3 LYS 26 -3.373 4.647 3.705
236 HD2 LYS 26 HD2 LYS 26 -2.794 6.744 4.208
237 HD3 LYS 26 HD3 LYS 26 -2.780 7.004 2.456
238 HE2 LYS 26 HE2 LYS 26 -5.112 7.769 2.511
239 HE3 LYS 26 HE3 LYS 26 -5.170 7.453 4.252
240 HZ1 LYS 26 HZ1 LYS 26 -4.803 9.804 3.719
241 HZ2 LYS 26 HZ2 LYS 26 -3.346 9.407 2.958
242 HZ3 LYS 26 HZ3 LYS 26 -3.529 9.151 4.620
243 H ARG 27 H ARG 27 -4.787 1.904 3.213
244 HA ARG 27 HA ARG 27 -7.653 2.564 3.339
245 HB2 ARG 27 HB2 ARG 27 -6.596 0.124 2.617
246 HB3 ARG 27 HB3 ARG 27 -6.992 -0.174 4.271
247 HG2 ARG 27 HG2 ARG 27 -8.692 0.348 1.880
248 HG3 ARG 27 HG3 ARG 27 -8.895 -0.803 3.181
249 HD2 ARG 27 HD2 ARG 27 -9.903 0.750 4.579
250 HD3 ARG 27 HD3 ARG 27 -9.229 2.119 3.696
251 HE ARG 27 HE ARG 27 -11.652 0.687 3.101
252 HH11 ARG 27 HH11 ARG 27 -9.150 2.763 1.793
253 HH12 ARG 27 HH12 ARG 27 -10.146 3.356 0.508
254 HH21 ARG 27 HH21 ARG 27 -12.956 1.474 1.404
255 HH22 ARG 27 HH22 ARG 27 -12.306 2.627 0.287
256 H TRP 28 H TRP 28 -8.568 1.763 5.437
257 HA TRP 28 HA TRP 28 -7.055 2.934 7.608
258 HB2 TRP 28 HB2 TRP 28 -9.475 3.448 7.221
259 HB3 TRP 28 HB3 TRP 28 -9.853 1.787 7.637
260 HD1 TRP 28 HD1 TRP 28 -11.060 1.990 9.855
261 HE1 TRP 28 HE1 TRP 28 -10.561 3.030 12.139
262 HE3 TRP 28 HE3 TRP 28 -6.762 4.471 8.672
263 HZ2 TRP 28 HZ2 TRP 28 -8.598 4.701 13.300
264 HZ3 TRP 28 HZ3 TRP 28 -5.635 5.774 10.426
265 HH2 TRP 28 HH2 TRP 28 -6.535 5.886 12.692
266 H ASP 29 H ASP 29 -6.450 1.930 9.505
267 HA ASP 29 HA ASP 29 -6.581 -1.019 9.524
268 HB2 ASP 29 HB2 ASP 29 -4.274 0.131 9.208
269 HB3 ASP 29 HB3 ASP 29 -4.394 0.516 10.909
Start of MODEL 19
1 H1 ARG 1 H1 ARG 1 -3.980 2.482 12.155
2 H2 ARG 1 H2 ARG 1 -5.015 3.842 12.027
3 H3 ARG 1 H3 ARG 1 -3.819 3.787 13.254
4 HA ARG 1 HA ARG 1 -3.077 5.223 11.581
5 HB2 ARG 1 HB2 ARG 1 -1.794 2.749 12.317
6 HB3 ARG 1 HB3 ARG 1 -1.329 3.156 10.676
7 HG2 ARG 1 HG2 ARG 1 -0.640 5.425 11.549
8 HG3 ARG 1 HG3 ARG 1 -0.886 4.777 13.176
9 HD2 ARG 1 HD2 ARG 1 0.687 2.954 11.616
10 HD3 ARG 1 HD3 ARG 1 1.399 4.565 11.554
11 HE ARG 1 HE ARG 1 1.239 2.816 13.836
12 HH11 ARG 1 HH11 ARG 1 1.617 6.137 12.787
13 HH12 ARG 1 HH12 ARG 1 2.404 6.636 14.246
14 HH21 ARG 1 HH21 ARG 1 2.276 3.482 15.755
15 HH22 ARG 1 HH22 ARG 1 2.779 5.130 15.930
16 H TRP 2 H TRP 2 -2.056 5.234 9.336
17 HA TRP 2 HA TRP 2 -4.047 4.242 7.424
18 HB2 TRP 2 HB2 TRP 2 -1.990 6.443 7.305
19 HB3 TRP 2 HB3 TRP 2 -2.871 5.934 5.911
20 HD1 TRP 2 HD1 TRP 2 -3.064 8.217 8.730
21 HE1 TRP 2 HE1 TRP 2 -5.379 9.358 8.832
22 HE3 TRP 2 HE3 TRP 2 -5.466 5.254 5.452
23 HZ2 TRP 2 HZ2 TRP 2 -7.926 9.003 7.616
24 HZ3 TRP 2 HZ3 TRP 2 -7.837 5.684 4.928
25 HH2 TRP 2 HH2 TRP 2 -9.044 7.524 5.998
26 H PHE 3 H PHE 3 -3.236 3.430 5.278
27 HA PHE 3 HA PHE 3 -0.533 2.685 4.918
28 HB2 PHE 3 HB2 PHE 3 -0.420 0.461 5.382
29 HB3 PHE 3 HB3 PHE 3 -1.371 1.091 6.682
30 HD1 PHE 3 HD1 PHE 3 -4.059 1.135 5.961
31 HD2 PHE 3 HD2 PHE 3 -1.044 -1.501 4.535
32 HE1 PHE 3 HE1 PHE 3 -5.782 -0.459 5.291
33 HE2 PHE 3 HE2 PHE 3 -2.790 -3.115 3.852
34 HZ PHE 3 HZ PHE 3 -5.179 -2.569 4.223
35 H TYR 4 H TYR 4 -0.200 1.147 3.149
36 HA TYR 4 HA TYR 4 -2.204 1.663 1.100
37 HB2 TYR 4 HB2 TYR 4 0.638 1.113 0.441
38 HB3 TYR 4 HB3 TYR 4 -0.481 2.241 -0.227
39 HD1 TYR 4 HD1 TYR 4 -0.875 3.329 2.916
40 HD2 TYR 4 HD2 TYR 4 2.271 2.946 0.092
41 HE1 TYR 4 HE1 TYR 4 0.233 5.052 4.041
42 HE2 TYR 4 HE2 TYR 4 3.453 4.752 1.248
43 HH TYR 4 HH TYR 4 3.146 5.679 4.069
44 H PHE 5 H PHE 5 -2.806 0.074 -0.310
45 HA PHE 5 HA PHE 5 -1.689 -2.611 0.121
46 HB2 PHE 5 HB2 PHE 5 -3.914 -2.349 1.153
47 HB3 PHE 5 HB3 PHE 5 -4.584 -1.948 -0.401
48 HD1 PHE 5 HD1 PHE 5 -2.286 -4.646 0.823
49 HD2 PHE 5 HD2 PHE 5 -5.818 -3.622 -1.314
50 HE1 PHE 5 HE1 PHE 5 -2.633 -7.002 0.259
51 HE2 PHE 5 HE2 PHE 5 -6.169 -5.976 -1.873
52 HZ PHE 5 HZ PHE 5 -4.573 -7.656 -1.094
53 H ASN 6 H ASN 6 -1.061 -3.670 -1.671
54 HA ASN 6 HA ASN 6 -1.891 -2.512 -4.243
55 HB2 ASN 6 HB2 ASN 6 0.574 -2.650 -3.878
56 HB3 ASN 6 HB3 ASN 6 0.439 -4.355 -3.560
57 HD21 ASN 6 HD21 ASN 6 -0.781 -2.084 -6.036
58 HD22 ASN 6 HD22 ASN 6 -0.349 -3.045 -7.398
59 H ARG 7 H ARG 7 -3.538 -3.495 -5.107
60 HA ARG 7 HA ARG 7 -4.434 -6.071 -4.310
61 HB2 ARG 7 HB2 ARG 7 -6.340 -5.633 -5.541
62 HB3 ARG 7 HB3 ARG 7 -5.763 -4.036 -5.088
63 HG2 ARG 7 HG2 ARG 7 -4.986 -3.560 -7.185
64 HG3 ARG 7 HG3 ARG 7 -4.980 -5.240 -7.685
65 HD2 ARG 7 HD2 ARG 7 -7.470 -5.258 -7.575
66 HD3 ARG 7 HD3 ARG 7 -7.428 -3.524 -7.187
67 HE ARG 7 HE ARG 7 -5.985 -4.131 -9.632
68 HH11 ARG 7 HH11 ARG 7 -9.198 -3.581 -8.306
69 HH12 ARG 7 HH12 ARG 7 -9.859 -3.050 -9.815
70 HH21 ARG 7 HH21 ARG 7 -6.876 -3.431 -11.603
71 HH22 ARG 7 HH22 ARG 7 -8.542 -2.965 -11.687
72 H ILE 8 H ILE 8 -2.402 -4.967 -6.868
73 HA ILE 8 HA ILE 8 -2.853 -7.147 -8.665
74 HB ILE 8 HB ILE 8 -0.542 -5.194 -8.466
75 HG12 ILE 8 HG12 ILE 8 -3.064 -4.566 -9.271
76 HG13 ILE 8 HG13 ILE 8 -1.617 -3.777 -9.863
77 HG21 ILE 8 HG21 ILE 8 0.223 -7.242 -9.521
78 HG22 ILE 8 HG22 ILE 8 0.155 -5.920 -10.684
79 HG23 ILE 8 HG23 ILE 8 -1.102 -7.156 -10.683
80 HD11 ILE 8 HD11 ILE 8 -2.223 -4.305 -11.911
81 HD12 ILE 8 HD12 ILE 8 -3.587 -5.244 -11.310
82 HD13 ILE 8 HD13 ILE 8 -2.013 -6.010 -11.524
83 H THR 9 H THR 9 -0.248 -6.442 -6.330
84 HA THR 9 HA THR 9 0.712 -9.182 -6.647
85 HB THR 9 HB THR 9 2.740 -8.490 -5.622
86 HG1 THR 9 HG1 THR 9 2.955 -6.362 -4.785
87 HG21 THR 9 HG21 THR 9 3.543 -6.874 -7.111
88 HG22 THR 9 HG22 THR 9 1.947 -6.133 -7.278
89 HG23 THR 9 HG23 THR 9 2.259 -7.724 -7.973
90 H GLY 10 H GLY 10 -0.984 -7.215 -4.514
91 HA2 GLY 10 HA2 GLY 10 -2.239 -7.802 -2.649
92 HA3 GLY 10 HA3 GLY 10 -1.486 -9.366 -2.716
93 H LYS 11 H LYS 11 0.699 -6.681 -2.743
94 HA LYS 11 HA LYS 11 1.573 -7.355 -0.062
95 HB2 LYS 11 HB2 LYS 11 2.796 -5.820 -2.346
96 HB3 LYS 11 HB3 LYS 11 3.568 -6.006 -0.782
97 HG2 LYS 11 HG2 LYS 11 2.713 -8.355 -2.426
98 HG3 LYS 11 HG3 LYS 11 4.257 -7.554 -2.691
99 HD2 LYS 11 HD2 LYS 11 3.303 -8.983 -0.225
100 HD3 LYS 11 HD3 LYS 11 4.671 -9.395 -1.253
101 HE2 LYS 11 HE2 LYS 11 5.151 -6.776 -0.408
102 HE3 LYS 11 HE3 LYS 11 4.549 -7.618 1.018
103 HZ1 LYS 11 HZ1 LYS 11 6.941 -7.793 0.862
104 HZ2 LYS 11 HZ2 LYS 11 6.829 -8.479 -0.680
105 HZ3 LYS 11 HZ3 LYS 11 6.241 -9.321 0.664
106 H ARG 12 H ARG 12 2.180 -5.529 1.391
107 HA ARG 12 HA ARG 12 0.885 -3.015 0.997
108 HB2 ARG 12 HB2 ARG 12 -0.744 -3.357 2.701
109 HB3 ARG 12 HB3 ARG 12 -0.873 -4.720 1.625
110 HG2 ARG 12 HG2 ARG 12 0.637 -4.741 4.224
111 HG3 ARG 12 HG3 ARG 12 -1.031 -5.241 4.069
112 HD2 ARG 12 HD2 ARG 12 1.304 -6.494 2.612
113 HD3 ARG 12 HD3 ARG 12 0.552 -7.121 4.071
114 HE ARG 12 HE ARG 12 -1.080 -6.834 1.607
115 HH11 ARG 12 HH11 ARG 12 0.322 -8.869 4.118
116 HH12 ARG 12 HH12 ARG 12 -0.659 -10.234 3.715
117 HH21 ARG 12 HH21 ARG 12 -2.358 -8.649 1.107
118 HH22 ARG 12 HH22 ARG 12 -2.173 -10.113 2.013
119 H GLN 13 H GLN 13 1.585 -1.433 2.523
120 HA GLN 13 HA GLN 13 2.750 -2.059 4.990
121 HB2 GLN 13 HB2 GLN 13 4.854 -0.725 4.251
122 HB3 GLN 13 HB3 GLN 13 4.817 -2.461 4.220
123 HG2 GLN 13 HG2 GLN 13 5.761 -0.935 2.259
124 HG3 GLN 13 HG3 GLN 13 5.074 -2.491 2.035
125 HE21 GLN 13 HE21 GLN 13 3.928 0.850 2.143
126 HE22 GLN 13 HE22 GLN 13 2.825 0.669 0.842
127 H PHE 14 H PHE 14 3.827 -0.124 5.935
128 HA PHE 14 HA PHE 14 2.107 2.194 5.592
129 HB2 PHE 14 HB2 PHE 14 2.913 1.227 7.890
130 HB3 PHE 14 HB3 PHE 14 4.485 1.892 7.468
131 HD1 PHE 14 HD2 PHE 14 1.046 3.221 7.114
132 HD2 PHE 14 HD1 PHE 14 4.905 3.712 8.782
133 HE1 PHE 14 HE2 PHE 14 0.360 5.395 8.024
134 HE2 PHE 14 HE1 PHE 14 4.242 5.891 9.706
135 HZ PHE 14 HZ PHE 14 1.965 6.727 9.321
136 H GLU 15 H GLU 15 5.252 1.004 4.754
137 HA GLU 15 HA GLU 15 6.569 3.462 4.214
138 HB2 GLU 15 HB2 GLU 15 7.220 0.815 4.354
139 HB3 GLU 15 HB3 GLU 15 7.334 1.128 2.675
140 HG2 GLU 15 HG2 GLU 15 8.596 3.221 4.125
141 HG3 GLU 15 HG3 GLU 15 9.192 1.670 4.700
142 H ARG 16 H ARG 16 7.580 3.352 1.976
143 HA ARG 16 HA ARG 16 5.844 4.413 0.079
144 HB2 ARG 16 HB2 ARG 16 8.202 4.813 -0.008
145 HB3 ARG 16 HB3 ARG 16 8.564 3.101 -0.025
146 HG2 ARG 16 HG2 ARG 16 7.466 2.964 -2.231
147 HG3 ARG 16 HG3 ARG 16 7.387 4.725 -2.252
148 HD2 ARG 16 HD2 ARG 16 9.343 3.872 -3.477
149 HD3 ARG 16 HD3 ARG 16 9.800 4.861 -2.091
150 HE ARG 16 HE ARG 16 9.717 1.984 -1.665
151 HH11 ARG 16 HH11 ARG 16 11.683 4.801 -2.358
152 HH12 ARG 16 HH12 ARG 16 13.154 4.050 -1.842
153 HH21 ARG 16 HH21 ARG 16 11.660 1.005 -0.986
154 HH22 ARG 16 HH22 ARG 16 13.142 1.896 -1.064
155 HA PRO 17 HA PRO 17 3.663 0.976 -1.650
156 HB2 PRO 17 HB2 PRO 17 4.311 1.248 -4.350
157 HB3 PRO 17 HB3 PRO 17 2.953 2.020 -3.531
158 HG2 PRO 17 HG2 PRO 17 5.651 3.120 -4.160
159 HG3 PRO 17 HG3 PRO 17 4.076 3.925 -4.223
160 HD2 PRO 17 HD2 PRO 17 5.752 4.382 -2.218
161 HD3 PRO 17 HD3 PRO 17 4.031 4.198 -1.928
162 H LYS 18 H LYS 18 4.169 -1.112 -1.845
163 HA LYS 18 HA LYS 18 6.914 -1.928 -1.878
164 HB2 LYS 18 HB2 LYS 18 4.563 -3.195 -1.053
165 HB3 LYS 18 HB3 LYS 18 5.029 -4.101 -2.474
166 HG2 LYS 18 HG2 LYS 18 6.424 -3.811 0.145
167 HG3 LYS 18 HG3 LYS 18 6.032 -5.264 -0.770
168 HD2 LYS 18 HD2 LYS 18 7.936 -3.338 -1.998
169 HD3 LYS 18 HD3 LYS 18 8.505 -4.311 -0.643
170 HE2 LYS 18 HE2 LYS 18 7.821 -6.346 -1.825
171 HE3 LYS 18 HE3 LYS 18 7.265 -5.368 -3.182
172 HZ1 LYS 18 HZ1 LYS 18 9.519 -4.608 -3.533
173 HZ2 LYS 18 HZ2 LYS 18 9.473 -6.299 -3.562
174 HZ3 LYS 18 HZ3 LYS 18 10.066 -5.493 -2.198
175 H GLY 19 H GLY 19 6.868 -0.528 -3.926
176 HA2 GLY 19 HA2 GLY 19 8.000 -1.573 -6.021
177 HA3 GLY 19 HA3 GLY 19 6.347 -2.059 -6.346
178 H LEU 20 H LEU 20 5.992 0.973 -4.873
179 HA LEU 20 HA LEU 20 5.359 2.984 -5.806
180 HB2 LEU 20 HB2 LEU 20 8.027 2.330 -6.575
181 HB3 LEU 20 HB3 LEU 20 7.303 3.264 -7.858
182 HG LEU 20 HG LEU 20 7.408 4.240 -4.987
183 HD11 LEU 20 HD11 LEU 20 9.359 5.543 -5.643
184 HD12 LEU 20 HD12 LEU 20 9.381 4.727 -7.207
185 HD13 LEU 20 HD13 LEU 20 9.672 3.810 -5.729
186 HD21 LEU 20 HD21 LEU 20 6.322 5.262 -7.486
187 HD22 LEU 20 HD22 LEU 20 7.508 6.360 -6.785
188 HD23 LEU 20 HD23 LEU 20 6.108 5.859 -5.838
189 H VAL 21 H VAL 21 3.714 1.318 -6.660
190 HA VAL 21 HA VAL 21 3.354 1.732 -9.476
191 HB VAL 21 HB VAL 21 2.237 -0.792 -8.528
192 HG11 VAL 21 HG11 VAL 21 2.967 0.434 -11.019
193 HG12 VAL 21 HG12 VAL 21 2.117 -1.086 -10.743
194 HG13 VAL 21 HG13 VAL 21 3.878 -1.064 -10.826
195 HG21 VAL 21 HG21 VAL 21 5.090 -0.742 -9.206
196 HG22 VAL 21 HG22 VAL 21 4.154 -1.922 -8.292
197 HG23 VAL 21 HG23 VAL 21 4.577 -0.376 -7.574
198 H LYS 22 H LYS 22 1.223 0.572 -10.002
199 HA LYS 22 HA LYS 22 -0.902 2.182 -8.818
200 HB2 LYS 22 HB2 LYS 22 -0.612 0.718 -11.439
201 HB3 LYS 22 HB3 LYS 22 -2.200 1.172 -10.843
202 HG2 LYS 22 HG2 LYS 22 0.075 3.059 -11.424
203 HG3 LYS 22 HG3 LYS 22 -1.354 2.807 -12.427
204 HD2 LYS 22 HD2 LYS 22 -1.423 3.798 -9.577
205 HD3 LYS 22 HD3 LYS 22 -1.464 4.845 -10.996
206 HE2 LYS 22 HE2 LYS 22 -3.457 2.630 -10.679
207 HE3 LYS 22 HE3 LYS 22 -3.689 4.167 -9.848
208 HZ1 LYS 22 HZ1 LYS 22 -4.829 4.170 -11.958
209 HZ2 LYS 22 HZ2 LYS 22 -3.401 3.791 -12.781
210 HZ3 LYS 22 HZ3 LYS 22 -3.558 5.285 -12.005
211 H GLY 23 H GLY 23 -3.118 0.800 -8.835
212 HA2 GLY 23 HA2 GLY 23 -4.161 -1.333 -8.164
213 HA3 GLY 23 HA3 GLY 23 -2.545 -1.982 -7.960
214 H TRP 24 H TRP 24 -1.526 0.215 -6.500
215 HA TRP 24 HA TRP 24 -1.904 -0.503 -3.884
216 HB2 TRP 24 HB2 TRP 24 -0.739 1.889 -5.309
217 HB3 TRP 24 HB3 TRP 24 -0.633 1.704 -3.579
218 HD1 TRP 24 HD1 TRP 24 1.204 0.765 -6.660
219 HE1 TRP 24 HE1 TRP 24 3.017 -0.900 -6.104
220 HE3 TRP 24 HE3 TRP 24 -0.283 -0.506 -1.953
221 HZ2 TRP 24 HZ2 TRP 24 3.734 -2.618 -4.006
222 HZ3 TRP 24 HZ3 TRP 24 0.992 -2.263 -0.797
223 HH2 TRP 24 HH2 TRP 24 2.971 -3.226 -1.761
224 H GLU 25 H GLU 25 -3.282 0.230 -2.245
225 HA GLU 25 HA GLU 25 -4.792 2.694 -2.696
226 HB2 GLU 25 HB2 GLU 25 -6.036 -0.022 -2.735
227 HB3 GLU 25 HB3 GLU 25 -6.890 1.252 -1.879
228 HG2 GLU 25 HG2 GLU 25 -7.798 1.730 -3.847
229 HG3 GLU 25 HG3 GLU 25 -6.252 2.485 -4.228
230 H LYS 26 H LYS 26 -4.590 3.821 -0.890
231 HA LYS 26 HA LYS 26 -3.991 2.453 1.577
232 HB2 LYS 26 HB2 LYS 26 -2.710 4.589 1.221
233 HB3 LYS 26 HB3 LYS 26 -4.178 5.426 0.820
234 HG2 LYS 26 HG2 LYS 26 -4.919 5.424 3.106
235 HG3 LYS 26 HG3 LYS 26 -3.514 4.465 3.590
236 HD2 LYS 26 HD2 LYS 26 -2.570 6.445 4.034
237 HD3 LYS 26 HD3 LYS 26 -2.334 6.532 2.281
238 HE2 LYS 26 HE2 LYS 26 -4.442 7.767 2.021
239 HE3 LYS 26 HE3 LYS 26 -4.723 7.641 3.764
240 HZ1 LYS 26 HZ1 LYS 26 -3.802 9.800 3.091
241 HZ2 LYS 26 HZ2 LYS 26 -2.403 9.028 2.536
242 HZ3 LYS 26 HZ3 LYS 26 -2.795 8.986 4.181
243 H ARG 27 H ARG 27 -5.430 2.023 3.241
244 HA ARG 27 HA ARG 27 -8.021 3.295 3.039
245 HB2 ARG 27 HB2 ARG 27 -7.801 0.829 2.127
246 HB3 ARG 27 HB3 ARG 27 -8.061 0.363 3.774
247 HG2 ARG 27 HG2 ARG 27 -10.104 1.719 3.814
248 HG3 ARG 27 HG3 ARG 27 -9.878 1.995 2.101
249 HD2 ARG 27 HD2 ARG 27 -11.466 0.153 2.610
250 HD3 ARG 27 HD3 ARG 27 -10.108 -0.327 1.596
251 HE ARG 27 HE ARG 27 -9.488 -0.821 4.305
252 HH11 ARG 27 HH11 ARG 27 -11.539 -2.033 1.740
253 HH12 ARG 27 HH12 ARG 27 -11.581 -3.645 2.369
254 HH21 ARG 27 HH21 ARG 27 -9.546 -2.946 5.129
255 HH22 ARG 27 HH22 ARG 27 -10.451 -4.164 4.293
256 H TRP 28 H TRP 28 -6.337 1.279 5.192
257 HA TRP 28 HA TRP 28 -6.162 2.866 7.409
258 HB2 TRP 28 HB2 TRP 28 -8.689 2.741 7.094
259 HB3 TRP 28 HB3 TRP 28 -8.546 1.080 7.586
260 HD1 TRP 28 HD1 TRP 28 -9.442 0.942 9.934
261 HE1 TRP 28 HE1 TRP 28 -9.175 2.250 12.118
262 HE3 TRP 28 HE3 TRP 28 -6.515 4.765 8.220
263 HZ2 TRP 28 HZ2 TRP 28 -7.898 4.609 13.008
264 HZ3 TRP 28 HZ3 TRP 28 -5.823 6.511 9.804
265 HH2 TRP 28 HH2 TRP 28 -6.499 6.434 12.147
266 H ASP 29 H ASP 29 -4.858 1.860 8.853
267 HA ASP 29 HA ASP 29 -5.120 -0.779 9.760
268 HB2 ASP 29 HB2 ASP 29 -4.210 -1.280 7.467
269 HB3 ASP 29 HB3 ASP 29 -2.736 -0.437 7.929
Start of MODEL 20
1 H1 ARG 1 H1 ARG 1 -3.321 8.192 3.211
2 H2 ARG 1 H2 ARG 1 -2.173 8.789 4.338
3 H3 ARG 1 H3 ARG 1 -3.847 9.067 4.588
4 HA ARG 1 HA ARG 1 -3.005 7.359 6.037
5 HB2 ARG 1 HB2 ARG 1 -5.400 7.339 4.980
6 HB3 ARG 1 HB3 ARG 1 -4.759 6.228 3.789
7 HG2 ARG 1 HG2 ARG 1 -4.263 4.575 5.631
8 HG3 ARG 1 HG3 ARG 1 -5.083 5.701 6.741
9 HD2 ARG 1 HD2 ARG 1 -6.247 4.205 4.417
10 HD3 ARG 1 HD3 ARG 1 -6.714 4.129 6.102
11 HE ARG 1 HE ARG 1 -7.184 6.722 5.367
12 HH11 ARG 1 HH11 ARG 1 -8.267 3.580 4.265
13 HH12 ARG 1 HH12 ARG 1 -9.800 4.166 3.716
14 HH21 ARG 1 HH21 ARG 1 -9.206 7.487 4.645
15 HH22 ARG 1 HH22 ARG 1 -10.334 6.383 3.932
16 H TRP 2 H TRP 2 -2.135 5.413 6.294
17 HA TRP 2 HA TRP 2 -0.504 4.401 4.223
18 HB2 TRP 2 HB2 TRP 2 1.066 4.180 6.208
19 HB3 TRP 2 HB3 TRP 2 0.811 5.678 5.411
20 HD1 TRP 2 HD1 TRP 2 1.325 7.066 7.488
21 HE1 TRP 2 HE1 TRP 2 0.416 7.353 9.870
22 HE3 TRP 2 HE3 TRP 2 -2.275 3.798 6.990
23 HZ2 TRP 2 HZ2 TRP 2 -1.736 6.203 11.361
24 HZ3 TRP 2 HZ3 TRP 2 -3.723 3.354 8.910
25 HH2 TRP 2 HH2 TRP 2 -3.545 4.561 11.029
26 H PHE 3 H PHE 3 -0.316 2.420 3.793
27 HA PHE 3 HA PHE 3 0.004 0.095 5.182
28 HB2 PHE 3 HB2 PHE 3 -2.409 1.260 5.439
29 HB3 PHE 3 HB3 PHE 3 -2.591 0.104 4.200
30 HD1 PHE 3 HD2 PHE 3 -2.305 -2.185 4.539
31 HD2 PHE 3 HD1 PHE 3 -2.012 0.670 7.584
32 HE1 PHE 3 HE2 PHE 3 -2.652 -3.971 6.177
33 HE2 PHE 3 HE1 PHE 3 -2.400 -1.035 9.279
34 HZ PHE 3 HZ PHE 3 -2.773 -3.370 8.586
35 H TYR 4 H TYR 4 -1.341 1.613 2.525
36 HA TYR 4 HA TYR 4 -2.517 0.665 0.597
37 HB2 TYR 4 HB2 TYR 4 0.221 0.797 -0.457
38 HB3 TYR 4 HB3 TYR 4 -1.252 1.622 -0.911
39 HD1 TYR 4 HD1 TYR 4 0.959 1.447 1.948
40 HD2 TYR 4 HD2 TYR 4 -1.235 3.953 -0.632
41 HE1 TYR 4 HE1 TYR 4 1.697 3.336 3.231
42 HE2 TYR 4 HE2 TYR 4 -0.484 5.913 0.629
43 HH TYR 4 HH TYR 4 0.386 6.190 3.275
44 H PHE 5 H PHE 5 -3.289 -1.067 0.052
45 HA PHE 5 HA PHE 5 -1.809 -3.540 -0.007
46 HB2 PHE 5 HB2 PHE 5 -4.050 -3.480 1.032
47 HB3 PHE 5 HB3 PHE 5 -4.735 -3.010 -0.511
48 HD1 PHE 5 HD2 PHE 5 -2.299 -5.617 0.583
49 HD2 PHE 5 HD1 PHE 5 -5.857 -4.694 -1.541
50 HE1 PHE 5 HE2 PHE 5 -2.472 -7.939 -0.091
51 HE2 PHE 5 HE1 PHE 5 -6.047 -7.032 -2.240
52 HZ PHE 5 HZ PHE 5 -4.362 -8.645 -1.525
53 H ASN 6 H ASN 6 -0.934 -4.256 -1.892
54 HA ASN 6 HA ASN 6 -1.817 -2.894 -4.322
55 HB2 ASN 6 HB2 ASN 6 0.644 -2.861 -3.832
56 HB3 ASN 6 HB3 ASN 6 0.660 -4.605 -3.817
57 HD21 ASN 6 HD21 ASN 6 -0.632 -2.017 -5.927
58 HD22 ASN 6 HD22 ASN 6 -0.089 -2.702 -7.409
59 H ARG 7 H ARG 7 -3.628 -3.916 -4.750
60 HA ARG 7 HA ARG 7 -4.318 -6.563 -4.542
61 HB2 ARG 7 HB2 ARG 7 -6.180 -6.015 -5.852
62 HB3 ARG 7 HB3 ARG 7 -5.678 -4.506 -5.097
63 HG2 ARG 7 HG2 ARG 7 -4.822 -3.642 -7.004
64 HG3 ARG 7 HG3 ARG 7 -4.663 -5.202 -7.784
65 HD2 ARG 7 HD2 ARG 7 -7.126 -5.379 -7.948
66 HD3 ARG 7 HD3 ARG 7 -7.272 -3.778 -7.191
67 HE ARG 7 HE ARG 7 -5.596 -3.730 -9.568
68 HH11 ARG 7 HH11 ARG 7 -8.930 -3.671 -8.441
69 HH12 ARG 7 HH12 ARG 7 -9.514 -2.846 -9.846
70 HH21 ARG 7 HH21 ARG 7 -6.387 -2.648 -11.403
71 HH22 ARG 7 HH22 ARG 7 -8.071 -2.266 -11.528
72 H ILE 8 H ILE 8 -2.293 -5.113 -6.952
73 HA ILE 8 HA ILE 8 -2.653 -7.081 -8.987
74 HB ILE 8 HB ILE 8 -0.411 -5.094 -8.524
75 HG12 ILE 8 HG12 ILE 8 -2.946 -4.457 -9.285
76 HG13 ILE 8 HG13 ILE 8 -1.520 -3.555 -9.754
77 HG21 ILE 8 HG21 ILE 8 0.471 -6.936 -9.800
78 HG22 ILE 8 HG22 ILE 8 0.300 -5.517 -10.832
79 HG23 ILE 8 HG23 ILE 8 -0.870 -6.830 -10.941
80 HD11 ILE 8 HD11 ILE 8 -3.424 -4.871 -11.399
81 HD12 ILE 8 HD12 ILE 8 -1.839 -5.596 -11.672
82 HD13 ILE 8 HD13 ILE 8 -2.060 -3.858 -11.863
83 H THR 9 H THR 9 -0.106 -6.602 -6.538
84 HA THR 9 HA THR 9 0.966 -9.241 -7.190
85 HB THR 9 HB THR 9 2.939 -8.596 -6.002
86 HG1 THR 9 HG1 THR 9 3.031 -6.549 -4.963
87 HG21 THR 9 HG21 THR 9 3.706 -6.782 -7.286
88 HG22 THR 9 HG22 THR 9 2.070 -6.142 -7.471
89 HG23 THR 9 HG23 THR 9 2.529 -7.638 -8.285
90 H GLY 10 H GLY 10 -0.890 -7.665 -4.904
91 HA2 GLY 10 HA2 GLY 10 -2.184 -8.596 -3.211
92 HA3 GLY 10 HA3 GLY 10 -1.213 -10.026 -3.319
93 H LYS 11 H LYS 11 0.686 -7.220 -3.118
94 HA LYS 11 HA LYS 11 1.442 -7.821 -0.383
95 HB2 LYS 11 HB2 LYS 11 2.609 -6.039 -2.510
96 HB3 LYS 11 HB3 LYS 11 3.303 -6.276 -0.920
97 HG2 LYS 11 HG2 LYS 11 2.823 -8.584 -2.756
98 HG3 LYS 11 HG3 LYS 11 4.264 -7.582 -2.911
99 HD2 LYS 11 HD2 LYS 11 3.415 -9.157 -0.482
100 HD3 LYS 11 HD3 LYS 11 4.751 -9.532 -1.564
101 HE2 LYS 11 HE2 LYS 11 4.568 -6.994 0.051
102 HE3 LYS 11 HE3 LYS 11 5.410 -8.442 0.595
103 HZ1 LYS 11 HZ1 LYS 11 6.835 -8.285 -1.367
104 HZ2 LYS 11 HZ2 LYS 11 6.947 -6.897 -0.409
105 HZ3 LYS 11 HZ3 LYS 11 6.047 -6.864 -1.840
106 H ARG 12 H ARG 12 2.125 -5.655 0.776
107 HA ARG 12 HA ARG 12 0.528 -3.428 0.416
108 HB2 ARG 12 HB2 ARG 12 -1.296 -3.892 1.682
109 HB3 ARG 12 HB3 ARG 12 -0.852 -5.548 1.441
110 HG2 ARG 12 HG2 ARG 12 -0.140 -5.787 3.603
111 HG3 ARG 12 HG3 ARG 12 0.217 -4.085 3.777
112 HD2 ARG 12 HD2 ARG 12 -1.726 -4.650 5.078
113 HD3 ARG 12 HD3 ARG 12 -2.194 -3.613 3.730
114 HE ARG 12 HE ARG 12 -2.440 -6.435 3.165
115 HH11 ARG 12 HH11 ARG 12 -4.072 -3.606 4.446
116 HH12 ARG 12 HH12 ARG 12 -5.654 -4.246 4.167
117 HH21 ARG 12 HH21 ARG 12 -4.526 -7.261 2.798
118 HH22 ARG 12 HH22 ARG 12 -5.913 -6.319 3.232
119 H GLN 13 H GLN 13 0.936 -1.686 1.998
120 HA GLN 13 HA GLN 13 3.027 -2.328 3.897
121 HB2 GLN 13 HB2 GLN 13 3.433 -1.313 1.268
122 HB3 GLN 13 HB3 GLN 13 3.979 -0.142 2.478
123 HG2 GLN 13 HG2 GLN 13 5.221 -1.914 3.562
124 HG3 GLN 13 HG3 GLN 13 4.717 -2.980 2.317
125 HE21 GLN 13 HE21 GLN 13 5.411 0.193 1.311
126 HE22 GLN 13 HE22 GLN 13 6.952 -0.149 0.615
127 H PHE 14 H PHE 14 2.832 -1.183 5.612
128 HA PHE 14 HA PHE 14 0.971 0.985 5.869
129 HB2 PHE 14 HB2 PHE 14 2.054 -0.621 7.766
130 HB3 PHE 14 HB3 PHE 14 3.292 0.624 7.795
131 HD1 PHE 14 HD2 PHE 14 -0.432 0.997 7.433
132 HD2 PHE 14 HD1 PHE 14 3.048 1.598 9.840
133 HE1 PHE 14 HE2 PHE 14 -1.756 2.181 9.103
134 HE2 PHE 14 HE1 PHE 14 1.702 2.801 11.494
135 HZ PHE 14 HZ PHE 14 -0.703 3.090 11.120
136 H GLU 15 H GLU 15 4.314 0.614 4.898
137 HA GLU 15 HA GLU 15 4.944 3.427 5.056
138 HB2 GLU 15 HB2 GLU 15 6.367 1.077 5.050
139 HB3 GLU 15 HB3 GLU 15 6.660 1.728 3.492
140 HG2 GLU 15 HG2 GLU 15 6.878 3.770 5.438
141 HG3 GLU 15 HG3 GLU 15 7.828 2.381 5.944
142 H ARG 16 H ARG 16 6.192 3.986 3.010
143 HA ARG 16 HA ARG 16 4.445 4.658 0.997
144 HB2 ARG 16 HB2 ARG 16 6.568 5.770 1.259
145 HB3 ARG 16 HB3 ARG 16 7.445 4.269 1.024
146 HG2 ARG 16 HG2 ARG 16 6.326 4.229 -1.256
147 HG3 ARG 16 HG3 ARG 16 6.045 5.949 -1.000
148 HD2 ARG 16 HD2 ARG 16 8.774 4.828 -0.548
149 HD3 ARG 16 HD3 ARG 16 8.229 5.094 -2.203
150 HE ARG 16 HE ARG 16 7.695 7.460 -1.124
151 HH11 ARG 16 HH11 ARG 16 10.567 5.471 -0.844
152 HH12 ARG 16 HH12 ARG 16 11.625 6.821 -0.617
153 HH21 ARG 16 HH21 ARG 16 9.098 9.230 -0.826
154 HH22 ARG 16 HH22 ARG 16 10.793 8.953 -0.607
155 HA PRO 17 HA PRO 17 3.278 0.790 -0.827
156 HB2 PRO 17 HB2 PRO 17 3.868 1.770 -3.498
157 HB3 PRO 17 HB3 PRO 17 2.324 1.343 -2.779
158 HG2 PRO 17 HG2 PRO 17 3.531 3.959 -3.081
159 HG3 PRO 17 HG3 PRO 17 1.882 3.538 -2.605
160 HD2 PRO 17 HD2 PRO 17 3.685 4.654 -0.920
161 HD3 PRO 17 HD3 PRO 17 2.418 3.571 -0.393
162 H LYS 18 H LYS 18 4.111 -1.037 -1.583
163 HA LYS 18 HA LYS 18 6.959 -1.336 -1.549
164 HB2 LYS 18 HB2 LYS 18 4.857 -3.115 -1.155
165 HB3 LYS 18 HB3 LYS 18 5.446 -3.573 -2.744
166 HG2 LYS 18 HG2 LYS 18 6.748 -3.771 -0.093
167 HG3 LYS 18 HG3 LYS 18 6.679 -4.938 -1.410
168 HD2 LYS 18 HD2 LYS 18 8.117 -2.952 -2.569
169 HD3 LYS 18 HD3 LYS 18 8.621 -2.786 -0.886
170 HE2 LYS 18 HE2 LYS 18 9.798 -4.695 -0.932
171 HE3 LYS 18 HE3 LYS 18 8.547 -5.553 -1.831
172 HZ1 LYS 18 HZ1 LYS 18 9.342 -4.463 -3.858
173 HZ2 LYS 18 HZ2 LYS 18 10.553 -5.394 -3.132
174 HZ3 LYS 18 HZ3 LYS 18 10.576 -3.710 -2.977
175 H GLY 19 H GLY 19 6.628 0.493 -3.269
176 HA2 GLY 19 HA2 GLY 19 8.009 0.238 -5.442
177 HA3 GLY 19 HA3 GLY 19 6.537 -0.547 -5.982
178 H LEU 20 H LEU 20 5.471 1.954 -3.895
179 HA LEU 20 HA LEU 20 4.368 3.894 -4.437
180 HB2 LEU 20 HB2 LEU 20 7.120 4.084 -5.127
181 HB3 LEU 20 HB3 LEU 20 6.223 5.037 -6.281
182 HG LEU 20 HG LEU 20 6.013 5.447 -3.282
183 HD11 LEU 20 HD11 LEU 20 7.754 6.937 -5.232
184 HD12 LEU 20 HD12 LEU 20 8.329 5.744 -4.068
185 HD13 LEU 20 HD13 LEU 20 7.588 7.241 -3.503
186 HD21 LEU 20 HD21 LEU 20 5.562 7.821 -4.658
187 HD22 LEU 20 HD22 LEU 20 4.337 6.806 -3.903
188 HD23 LEU 20 HD23 LEU 20 4.716 6.608 -5.616
189 H VAL 21 H VAL 21 3.295 2.012 -5.785
190 HA VAL 21 HA VAL 21 2.828 2.993 -8.449
191 HB VAL 21 HB VAL 21 2.199 0.165 -8.114
192 HG11 VAL 21 HG11 VAL 21 2.167 0.335 -10.340
193 HG12 VAL 21 HG12 VAL 21 3.886 0.729 -10.328
194 HG13 VAL 21 HG13 VAL 21 2.686 2.018 -10.238
195 HG21 VAL 21 HG21 VAL 21 4.273 -0.630 -7.988
196 HG22 VAL 21 HG22 VAL 21 4.446 0.813 -7.001
197 HG23 VAL 21 HG23 VAL 21 4.994 0.824 -8.664
198 H LYS 22 H LYS 22 0.945 1.575 -9.301
199 HA LYS 22 HA LYS 22 -1.444 2.588 -7.987
200 HB2 LYS 22 HB2 LYS 22 -0.896 1.474 -10.738
201 HB3 LYS 22 HB3 LYS 22 -2.538 1.657 -10.142
202 HG2 LYS 22 HG2 LYS 22 -2.426 3.965 -10.142
203 HG3 LYS 22 HG3 LYS 22 -0.662 3.983 -10.095
204 HD2 LYS 22 HD2 LYS 22 -0.477 3.812 -12.335
205 HD3 LYS 22 HD3 LYS 22 -1.826 2.681 -12.461
206 HE2 LYS 22 HE2 LYS 22 -3.271 4.776 -11.895
207 HE3 LYS 22 HE3 LYS 22 -1.851 5.671 -12.434
208 HZ1 LYS 22 HZ1 LYS 22 -3.336 3.651 -14.031
209 HZ2 LYS 22 HZ2 LYS 22 -1.969 4.502 -14.551
210 HZ3 LYS 22 HZ3 LYS 22 -3.412 5.329 -14.240
211 H GLY 23 H GLY 23 -3.390 0.925 -8.171
212 HA2 GLY 23 HA2 GLY 23 -4.145 -1.387 -7.776
213 HA3 GLY 23 HA3 GLY 23 -2.465 -1.854 -7.666
214 H TRP 24 H TRP 24 -1.705 0.261 -5.926
215 HA TRP 24 HA TRP 24 -1.991 -0.898 -3.436
216 HB2 TRP 24 HB2 TRP 24 -0.999 1.770 -4.446
217 HB3 TRP 24 HB3 TRP 24 -0.832 1.272 -2.789
218 HD1 TRP 24 HD1 TRP 24 0.964 1.120 -5.999
219 HE1 TRP 24 HE1 TRP 24 2.982 -0.386 -5.803
220 HE3 TRP 24 HE3 TRP 24 -0.187 -1.177 -1.642
221 HZ2 TRP 24 HZ2 TRP 24 3.980 -2.363 -4.088
222 HZ3 TRP 24 HZ3 TRP 24 1.331 -2.944 -0.838
223 HH2 TRP 24 HH2 TRP 24 3.388 -3.468 -1.979
224 H GLU 25 H GLU 25 -3.331 -0.484 -1.743
225 HA GLU 25 HA GLU 25 -4.970 1.929 -1.636
226 HB2 GLU 25 HB2 GLU 25 -6.125 -0.825 -2.007
227 HB3 GLU 25 HB3 GLU 25 -6.983 0.354 -1.022
228 HG2 GLU 25 HG2 GLU 25 -7.936 0.946 -2.947
229 HG3 GLU 25 HG3 GLU 25 -6.438 1.839 -3.207
230 H LYS 26 H LYS 26 -4.033 2.572 0.261
231 HA LYS 26 HA LYS 26 -3.328 0.794 2.309
232 HB2 LYS 26 HB2 LYS 26 -2.490 2.755 3.463
233 HB3 LYS 26 HB3 LYS 26 -2.381 3.266 1.811
234 HG2 LYS 26 HG2 LYS 26 -4.411 4.080 3.880
235 HG3 LYS 26 HG3 LYS 26 -3.172 5.024 3.104
236 HD2 LYS 26 HD2 LYS 26 -4.544 5.655 1.500
237 HD3 LYS 26 HD3 LYS 26 -4.699 3.972 1.003
238 HE2 LYS 26 HE2 LYS 26 -6.500 3.750 2.826
239 HE3 LYS 26 HE3 LYS 26 -6.456 5.517 2.891
240 HZ1 LYS 26 HZ1 LYS 26 -7.063 3.896 0.478
241 HZ2 LYS 26 HZ2 LYS 26 -7.031 5.586 0.546
242 HZ3 LYS 26 HZ3 LYS 26 -8.196 4.728 1.421
243 H ARG 27 H ARG 27 -3.810 1.340 4.553
244 HA ARG 27 HA ARG 27 -6.678 1.564 5.085
245 HB2 ARG 27 HB2 ARG 27 -5.248 -0.772 5.385
246 HB3 ARG 27 HB3 ARG 27 -5.180 -0.162 7.008
247 HG2 ARG 27 HG2 ARG 27 -7.457 -1.150 5.350
248 HG3 ARG 27 HG3 ARG 27 -7.065 -1.440 7.029
249 HD2 ARG 27 HD2 ARG 27 -8.036 0.563 7.737
250 HD3 ARG 27 HD3 ARG 27 -7.981 1.256 6.118
251 HE ARG 27 HE ARG 27 -10.016 -0.464 7.208
252 HH11 ARG 27 HH11 ARG 27 -8.561 0.770 4.269
253 HH12 ARG 27 HH12 ARG 27 -9.968 0.476 3.305
254 HH21 ARG 27 HH21 ARG 27 -11.865 -0.849 5.930
255 HH22 ARG 27 HH22 ARG 27 -11.843 -0.442 4.247
256 H TRP 28 H TRP 28 -6.975 2.231 7.303
257 HA TRP 28 HA TRP 28 -4.795 3.999 8.104
258 HB2 TRP 28 HB2 TRP 28 -6.837 5.083 7.465
259 HB3 TRP 28 HB3 TRP 28 -7.702 4.306 8.769
260 HD1 TRP 28 HD1 TRP 28 -8.188 5.942 10.525
261 HE1 TRP 28 HE1 TRP 28 -7.101 7.979 11.610
262 HE3 TRP 28 HE3 TRP 28 -3.764 6.142 7.819
263 HZ2 TRP 28 HZ2 TRP 28 -4.743 9.479 11.376
264 HZ3 TRP 28 HZ3 TRP 28 -2.191 7.928 8.378
265 HH2 TRP 28 HH2 TRP 28 -2.672 9.541 10.054
266 H ASP 29 H ASP 29 -4.212 1.747 8.640
267 HA ASP 29 HA ASP 29 -3.669 0.111 10.194
268 HB2 ASP 29 HB2 ASP 29 -2.453 1.068 11.794
269 HB3 ASP 29 HB3 ASP 29 -3.040 2.600 11.175
Start of MODEL 21
1 H1 ARG 1 H1 ARG 1 -4.454 1.908 12.336
2 H2 ARG 1 H2 ARG 1 -4.993 3.530 12.188
3 H3 ARG 1 H3 ARG 1 -3.933 3.088 13.463
4 HA ARG 1 HA ARG 1 -2.629 4.168 11.920
5 HB2 ARG 1 HB2 ARG 1 -2.468 1.232 12.181
6 HB3 ARG 1 HB3 ARG 1 -1.564 1.878 10.822
7 HG2 ARG 1 HG2 ARG 1 -0.336 3.356 12.364
8 HG3 ARG 1 HG3 ARG 1 -1.225 2.654 13.716
9 HD2 ARG 1 HD2 ARG 1 0.515 1.102 11.809
10 HD3 ARG 1 HD3 ARG 1 1.028 1.675 13.394
11 HE ARG 1 HE ARG 1 -1.100 0.258 14.074
12 HH11 ARG 1 HH11 ARG 1 1.468 -0.553 11.831
13 HH12 ARG 1 HH12 ARG 1 1.323 -2.257 12.094
14 HH21 ARG 1 HH21 ARG 1 -1.280 -1.988 14.415
15 HH22 ARG 1 HH22 ARG 1 -0.234 -3.071 13.561
16 H TRP 2 H TRP 2 -1.613 3.996 9.704
17 HA TRP 2 HA TRP 2 -3.710 3.662 7.655
18 HB2 TRP 2 HB2 TRP 2 -1.566 5.726 8.034
19 HB3 TRP 2 HB3 TRP 2 -2.283 5.479 6.481
20 HD1 TRP 2 HD1 TRP 2 -2.626 7.564 9.360
21 HE1 TRP 2 HE1 TRP 2 -4.943 8.708 9.436
22 HE3 TRP 2 HE3 TRP 2 -4.972 4.686 5.962
23 HZ2 TRP 2 HZ2 TRP 2 -7.466 8.392 8.154
24 HZ3 TRP 2 HZ3 TRP 2 -7.323 5.137 5.387
25 HH2 TRP 2 HH2 TRP 2 -8.553 6.955 6.477
26 H PHE 3 H PHE 3 -2.847 3.162 5.436
27 HA PHE 3 HA PHE 3 -0.247 2.505 4.858
28 HB2 PHE 3 HB2 PHE 3 -0.015 0.181 5.017
29 HB3 PHE 3 HB3 PHE 3 -0.469 0.831 6.562
30 HD1 PHE 3 HD1 PHE 3 -3.419 0.924 6.425
31 HD2 PHE 3 HD2 PHE 3 -0.680 -1.926 4.860
32 HE1 PHE 3 HE1 PHE 3 -5.193 -0.762 6.422
33 HE2 PHE 3 HE2 PHE 3 -2.456 -3.631 4.858
34 HZ PHE 3 HZ PHE 3 -4.723 -3.039 5.630
35 H TYR 4 H TYR 4 0.109 1.275 2.960
36 HA TYR 4 HA TYR 4 -2.122 1.674 1.145
37 HB2 TYR 4 HB2 TYR 4 0.724 1.468 0.264
38 HB3 TYR 4 HB3 TYR 4 -0.572 2.448 -0.310
39 HD1 TYR 4 HD1 TYR 4 -0.892 3.318 2.946
40 HD2 TYR 4 HD2 TYR 4 2.029 3.601 -0.160
41 HE1 TYR 4 HE1 TYR 4 0.077 5.135 4.097
42 HE2 TYR 4 HE2 TYR 4 3.016 5.500 1.026
43 HH TYR 4 HH TYR 4 2.851 6.198 3.912
44 H PHE 5 H PHE 5 -2.812 0.136 -0.195
45 HA PHE 5 HA PHE 5 -1.545 -2.512 -0.018
46 HB2 PHE 5 HB2 PHE 5 -3.830 -2.266 0.970
47 HB3 PHE 5 HB3 PHE 5 -4.439 -1.898 -0.620
48 HD1 PHE 5 HD2 PHE 5 -2.126 -4.531 0.709
49 HD2 PHE 5 HD1 PHE 5 -5.628 -3.600 -1.515
50 HE1 PHE 5 HE2 PHE 5 -2.441 -6.908 0.202
51 HE2 PHE 5 HE1 PHE 5 -5.940 -5.966 -2.034
52 HZ PHE 5 HZ PHE 5 -4.349 -7.607 -1.181
53 H ASN 6 H ASN 6 -0.728 -3.343 -1.862
54 HA ASN 6 HA ASN 6 -1.540 -2.054 -4.365
55 HB2 ASN 6 HB2 ASN 6 0.931 -2.148 -3.790
56 HB3 ASN 6 HB3 ASN 6 0.829 -3.885 -3.836
57 HD21 ASN 6 HD21 ASN 6 -0.030 -1.058 -5.878
58 HD22 ASN 6 HD22 ASN 6 0.487 -1.761 -7.366
59 H ARG 7 H ARG 7 -3.472 -3.062 -4.523
60 HA ARG 7 HA ARG 7 -4.202 -5.668 -4.224
61 HB2 ARG 7 HB2 ARG 7 -6.129 -5.126 -5.440
62 HB3 ARG 7 HB3 ARG 7 -5.560 -3.625 -4.723
63 HG2 ARG 7 HG2 ARG 7 -4.809 -2.777 -6.687
64 HG3 ARG 7 HG3 ARG 7 -4.725 -4.344 -7.467
65 HD2 ARG 7 HD2 ARG 7 -7.199 -4.480 -7.459
66 HD3 ARG 7 HD3 ARG 7 -7.263 -2.866 -6.719
67 HE ARG 7 HE ARG 7 -5.747 -2.874 -9.196
68 HH11 ARG 7 HH11 ARG 7 -9.003 -2.774 -7.867
69 HH12 ARG 7 HH12 ARG 7 -9.671 -1.978 -9.251
70 HH21 ARG 7 HH21 ARG 7 -6.645 -1.828 -11.003
71 HH22 ARG 7 HH22 ARG 7 -8.333 -1.439 -11.032
72 H ILE 8 H ILE 8 -2.294 -4.394 -6.806
73 HA ILE 8 HA ILE 8 -2.894 -6.370 -8.762
74 HB ILE 8 HB ILE 8 -0.468 -4.578 -8.444
75 HG12 ILE 8 HG12 ILE 8 -2.961 -3.748 -9.151
76 HG13 ILE 8 HG13 ILE 8 -1.480 -2.994 -9.705
77 HG21 ILE 8 HG21 ILE 8 0.138 -5.139 -10.748
78 HG22 ILE 8 HG22 ILE 8 -1.158 -6.334 -10.793
79 HG23 ILE 8 HG23 ILE 8 0.197 -6.543 -9.683
80 HD11 ILE 8 HD11 ILE 8 -3.549 -4.223 -11.230
81 HD12 ILE 8 HD12 ILE 8 -2.027 -5.062 -11.532
82 HD13 ILE 8 HD13 ILE 8 -2.138 -3.322 -11.778
83 H THR 9 H THR 9 -0.228 -6.060 -6.429
84 HA THR 9 HA THR 9 0.482 -8.846 -6.983
85 HB THR 9 HB THR 9 2.652 -8.381 -6.162
86 HG1 THR 9 HG1 THR 9 3.175 -6.590 -5.052
87 HG21 THR 9 HG21 THR 9 1.866 -7.365 -8.402
88 HG22 THR 9 HG22 THR 9 3.432 -6.900 -7.733
89 HG23 THR 9 HG23 THR 9 2.036 -5.830 -7.552
90 H GLY 10 H GLY 10 -0.810 -6.836 -4.618
91 HA2 GLY 10 HA2 GLY 10 -2.011 -7.526 -2.735
92 HA3 GLY 10 HA3 GLY 10 -1.169 -9.043 -2.823
93 H LYS 11 H LYS 11 0.922 -6.326 -3.040
94 HA LYS 11 HA LYS 11 2.015 -6.909 -0.428
95 HB2 LYS 11 HB2 LYS 11 2.873 -5.122 -2.697
96 HB3 LYS 11 HB3 LYS 11 3.760 -5.283 -1.194
97 HG2 LYS 11 HG2 LYS 11 3.100 -7.647 -2.909
98 HG3 LYS 11 HG3 LYS 11 4.537 -6.672 -3.179
99 HD2 LYS 11 HD2 LYS 11 3.851 -8.429 -0.851
100 HD3 LYS 11 HD3 LYS 11 5.307 -8.418 -1.842
101 HE2 LYS 11 HE2 LYS 11 5.420 -5.933 -0.792
102 HE3 LYS 11 HE3 LYS 11 4.598 -6.788 0.512
103 HZ1 LYS 11 HZ1 LYS 11 7.021 -6.802 0.756
104 HZ2 LYS 11 HZ2 LYS 11 7.172 -7.629 -0.711
105 HZ3 LYS 11 HZ3 LYS 11 6.398 -8.367 0.600
106 H ARG 12 H ARG 12 2.512 -5.110 1.095
107 HA ARG 12 HA ARG 12 0.988 -2.719 0.904
108 HB2 ARG 12 HB2 ARG 12 -0.498 -3.329 2.732
109 HB3 ARG 12 HB3 ARG 12 -0.715 -4.364 1.351
110 HG2 ARG 12 HG2 ARG 12 0.880 -5.098 3.788
111 HG3 ARG 12 HG3 ARG 12 -0.814 -5.496 3.563
112 HD2 ARG 12 HD2 ARG 12 -0.124 -7.380 2.609
113 HD3 ARG 12 HD3 ARG 12 0.355 -6.390 1.233
114 HE ARG 12 HE ARG 12 2.445 -6.328 3.063
115 HH11 ARG 12 HH11 ARG 12 0.824 -8.698 1.060
116 HH12 ARG 12 HH12 ARG 12 2.228 -9.697 0.893
117 HH21 ARG 12 HH21 ARG 12 4.291 -7.648 2.838
118 HH22 ARG 12 HH22 ARG 12 4.196 -9.101 1.900
119 H GLN 13 H GLN 13 1.706 -1.162 2.379
120 HA GLN 13 HA GLN 13 2.807 -1.821 4.897
121 HB2 GLN 13 HB2 GLN 13 4.813 -0.194 3.769
122 HB3 GLN 13 HB3 GLN 13 4.956 -1.736 4.557
123 HG2 GLN 13 HG2 GLN 13 5.754 -2.480 2.734
124 HG3 GLN 13 HG3 GLN 13 4.160 -2.384 2.046
125 HE21 GLN 13 HE21 GLN 13 3.738 0.179 1.373
126 HE22 GLN 13 HE22 GLN 13 4.999 0.777 0.364
127 H PHE 14 H PHE 14 3.971 0.183 5.740
128 HA PHE 14 HA PHE 14 2.036 2.372 5.732
129 HB2 PHE 14 HB2 PHE 14 3.409 1.438 7.800
130 HB3 PHE 14 HB3 PHE 14 4.724 2.399 7.134
131 HD1 PHE 14 HD2 PHE 14 1.212 2.635 8.164
132 HD2 PHE 14 HD1 PHE 14 4.904 4.635 7.693
133 HE1 PHE 14 HE2 PHE 14 0.257 4.615 9.243
134 HE2 PHE 14 HE1 PHE 14 3.977 6.633 8.780
135 HZ PHE 14 HZ PHE 14 1.646 6.618 9.558
136 H GLU 15 H GLU 15 4.934 1.446 4.151
137 HA GLU 15 HA GLU 15 5.789 4.129 3.523
138 HB2 GLU 15 HB2 GLU 15 6.995 1.696 3.871
139 HB3 GLU 15 HB3 GLU 15 7.069 1.937 2.175
140 HG2 GLU 15 HG2 GLU 15 7.776 4.333 3.498
141 HG3 GLU 15 HG3 GLU 15 8.681 3.000 4.202
142 H ARG 16 H ARG 16 6.737 4.111 1.319
143 HA ARG 16 HA ARG 16 4.637 4.209 -0.608
144 HB2 ARG 16 HB2 ARG 16 6.493 5.831 -0.531
145 HB3 ARG 16 HB3 ARG 16 7.650 4.538 -0.775
146 HG2 ARG 16 HG2 ARG 16 6.494 4.068 -2.927
147 HG3 ARG 16 HG3 ARG 16 5.654 5.605 -2.733
148 HD2 ARG 16 HD2 ARG 16 7.445 6.749 -3.414
149 HD3 ARG 16 HD3 ARG 16 8.497 5.889 -2.292
150 HE ARG 16 HE ARG 16 8.138 5.358 -5.095
151 HH11 ARG 16 HH11 ARG 16 9.128 3.979 -2.029
152 HH12 ARG 16 HH12 ARG 16 10.100 2.748 -2.759
153 HH21 ARG 16 HH21 ARG 16 9.423 3.733 -6.046
154 HH22 ARG 16 HH22 ARG 16 10.269 2.608 -5.037
155 HA PRO 17 HA PRO 17 4.239 0.409 -2.590
156 HB2 PRO 17 HB2 PRO 17 6.181 1.333 -4.627
157 HB3 PRO 17 HB3 PRO 17 4.552 0.701 -4.833
158 HG2 PRO 17 HG2 PRO 17 5.378 3.459 -4.578
159 HG3 PRO 17 HG3 PRO 17 3.764 2.825 -4.922
160 HD2 PRO 17 HD2 PRO 17 4.354 4.105 -2.646
161 HD3 PRO 17 HD3 PRO 17 3.229 2.746 -2.708
162 H LYS 18 H LYS 18 5.055 -1.498 -2.278
163 HA LYS 18 HA LYS 18 7.579 -1.969 -1.277
164 HB2 LYS 18 HB2 LYS 18 5.928 -3.668 -0.797
165 HB3 LYS 18 HB3 LYS 18 5.405 -3.664 -2.480
166 HG2 LYS 18 HG2 LYS 18 8.110 -4.436 -2.444
167 HG3 LYS 18 HG3 LYS 18 7.260 -5.395 -1.236
168 HD2 LYS 18 HD2 LYS 18 6.566 -6.692 -2.915
169 HD3 LYS 18 HD3 LYS 18 5.567 -5.338 -3.447
170 HE2 LYS 18 HE2 LYS 18 7.181 -4.612 -4.992
171 HE3 LYS 18 HE3 LYS 18 8.446 -5.598 -4.260
172 HZ1 LYS 18 HZ1 LYS 18 6.069 -6.863 -5.470
173 HZ2 LYS 18 HZ2 LYS 18 7.604 -7.522 -5.203
174 HZ3 LYS 18 HZ3 LYS 18 7.374 -6.387 -6.435
175 H GLY 19 H GLY 19 6.296 -1.350 -4.233
176 HA2 GLY 19 HA2 GLY 19 8.199 -0.556 -5.781
177 HA3 GLY 19 HA3 GLY 19 8.501 -2.287 -5.862
178 H LEU 20 H LEU 20 5.216 -0.666 -5.740
179 HA LEU 20 HA LEU 20 4.917 -1.292 -8.592
180 HB2 LEU 20 HB2 LEU 20 3.239 -2.652 -6.543
181 HB3 LEU 20 HB3 LEU 20 2.949 -2.723 -8.259
182 HG LEU 20 HG LEU 20 5.633 -3.622 -7.502
183 HD11 LEU 20 HD11 LEU 20 4.557 -5.869 -6.755
184 HD12 LEU 20 HD12 LEU 20 3.238 -4.825 -6.229
185 HD13 LEU 20 HD13 LEU 20 4.861 -4.587 -5.584
186 HD21 LEU 20 HD21 LEU 20 3.366 -4.780 -9.107
187 HD22 LEU 20 HD22 LEU 20 4.960 -5.519 -8.950
188 HD23 LEU 20 HD23 LEU 20 4.791 -3.944 -9.724
189 H VAL 21 H VAL 21 4.823 1.165 -7.798
190 HA VAL 21 HA VAL 21 3.144 2.817 -6.916
191 HB VAL 21 HB VAL 21 2.974 3.872 -9.053
192 HG11 VAL 21 HG11 VAL 21 4.711 4.333 -7.305
193 HG12 VAL 21 HG12 VAL 21 5.240 4.657 -8.956
194 HG13 VAL 21 HG13 VAL 21 5.735 3.170 -8.148
195 HG21 VAL 21 HG21 VAL 21 3.831 1.305 -9.613
196 HG22 VAL 21 HG22 VAL 21 4.973 2.468 -10.301
197 HG23 VAL 21 HG23 VAL 21 3.261 2.534 -10.733
198 H LYS 22 H LYS 22 1.863 0.642 -9.253
199 HA LYS 22 HA LYS 22 -0.711 2.032 -9.222
200 HB2 LYS 22 HB2 LYS 22 -0.122 -0.110 -11.201
201 HB3 LYS 22 HB3 LYS 22 -1.228 1.236 -11.336
202 HG2 LYS 22 HG2 LYS 22 0.354 1.970 -12.768
203 HG3 LYS 22 HG3 LYS 22 1.047 2.619 -11.283
204 HD2 LYS 22 HD2 LYS 22 2.869 1.564 -12.258
205 HD3 LYS 22 HD3 LYS 22 2.266 0.315 -11.167
206 HE2 LYS 22 HE2 LYS 22 0.851 -0.365 -13.287
207 HE3 LYS 22 HE3 LYS 22 2.149 0.471 -14.139
208 HZ1 LYS 22 HZ1 LYS 22 3.742 -0.980 -12.996
209 HZ2 LYS 22 HZ2 LYS 22 2.654 -1.858 -13.948
210 HZ3 LYS 22 HZ3 LYS 22 2.462 -1.814 -12.268
211 H GLY 23 H GLY 23 -2.435 1.043 -8.457
212 HA2 GLY 23 HA2 GLY 23 -3.686 -1.100 -8.025
213 HA3 GLY 23 HA3 GLY 23 -2.134 -1.806 -7.637
214 H TRP 24 H TRP 24 -1.405 0.823 -6.283
215 HA TRP 24 HA TRP 24 -1.840 0.066 -3.682
216 HB2 TRP 24 HB2 TRP 24 -1.028 2.700 -4.905
217 HB3 TRP 24 HB3 TRP 24 -0.920 2.341 -3.202
218 HD1 TRP 24 HD1 TRP 24 1.149 2.267 -6.188
219 HE1 TRP 24 HE1 TRP 24 3.160 0.756 -5.878
220 HE3 TRP 24 HE3 TRP 24 -0.273 -0.166 -1.916
221 HZ2 TRP 24 HZ2 TRP 24 4.049 -1.259 -4.129
222 HZ3 TRP 24 HZ3 TRP 24 1.208 -1.936 -1.046
223 HH2 TRP 24 HH2 TRP 24 3.339 -2.424 -2.097
224 H GLU 25 H GLU 25 -3.250 0.557 -2.125
225 HA GLU 25 HA GLU 25 -5.159 2.726 -2.468
226 HB2 GLU 25 HB2 GLU 25 -5.956 -0.168 -2.515
227 HB3 GLU 25 HB3 GLU 25 -7.002 0.995 -1.717
228 HG2 GLU 25 HG2 GLU 25 -7.922 1.278 -3.718
229 HG3 GLU 25 HG3 GLU 25 -6.490 2.238 -4.085
230 H LYS 26 H LYS 26 -4.404 3.729 -0.676
231 HA LYS 26 HA LYS 26 -3.599 2.431 1.660
232 HB2 LYS 26 HB2 LYS 26 -2.878 4.801 1.363
233 HB3 LYS 26 HB3 LYS 26 -4.531 5.307 1.146
234 HG2 LYS 26 HG2 LYS 26 -4.982 4.888 3.545
235 HG3 LYS 26 HG3 LYS 26 -3.265 4.487 3.747
236 HD2 LYS 26 HD2 LYS 26 -3.132 6.678 4.275
237 HD3 LYS 26 HD3 LYS 26 -3.017 6.841 2.514
238 HE2 LYS 26 HE2 LYS 26 -5.414 7.293 2.347
239 HE3 LYS 26 HE3 LYS 26 -5.591 7.025 4.088
240 HZ1 LYS 26 HZ1 LYS 26 -3.970 9.186 2.854
241 HZ2 LYS 26 HZ2 LYS 26 -4.202 8.942 4.511
242 HZ3 LYS 26 HZ3 LYS 26 -5.508 9.381 3.531
243 H ARG 27 H ARG 27 -4.640 1.759 3.497
244 HA ARG 27 HA ARG 27 -7.568 2.100 3.581
245 HB2 ARG 27 HB2 ARG 27 -7.609 -0.138 3.073
246 HB3 ARG 27 HB3 ARG 27 -5.969 -0.445 3.566
247 HG2 ARG 27 HG2 ARG 27 -7.075 -0.186 5.974
248 HG3 ARG 27 HG3 ARG 27 -8.512 -0.634 5.067
249 HD2 ARG 27 HD2 ARG 27 -6.308 -2.286 5.934
250 HD3 ARG 27 HD3 ARG 27 -7.917 -2.736 5.392
251 HE ARG 27 HE ARG 27 -5.579 -2.349 3.658
252 HH11 ARG 27 HH11 ARG 27 -8.833 -3.575 4.120
253 HH12 ARG 27 HH12 ARG 27 -8.825 -4.478 2.645
254 HH21 ARG 27 HH21 ARG 27 -5.586 -3.541 1.723
255 HH22 ARG 27 HH22 ARG 27 -6.987 -4.459 1.285
256 H TRP 28 H TRP 28 -8.550 2.249 5.486
257 HA TRP 28 HA TRP 28 -7.017 3.368 7.630
258 HB2 TRP 28 HB2 TRP 28 -9.296 4.165 7.090
259 HB3 TRP 28 HB3 TRP 28 -9.946 2.602 7.558
260 HD1 TRP 28 HD1 TRP 28 -11.328 3.265 9.619
261 HE1 TRP 28 HE1 TRP 28 -10.807 4.300 11.899
262 HE3 TRP 28 HE3 TRP 28 -6.485 4.659 8.780
263 HZ2 TRP 28 HZ2 TRP 28 -8.628 5.555 13.189
264 HZ3 TRP 28 HZ3 TRP 28 -5.254 5.777 10.591
265 HH2 TRP 28 HH2 TRP 28 -6.304 6.215 12.750
266 H ASP 29 H ASP 29 -6.117 2.356 9.274
267 HA ASP 29 HA ASP 29 -6.941 -0.418 9.861
268 HB2 ASP 29 HB2 ASP 29 -4.545 0.043 8.998
269 HB3 ASP 29 HB3 ASP 29 -4.236 0.708 10.595
Start of MODEL 22
1 H1 ARG 1 H1 ARG 1 -5.337 3.083 11.634
2 H2 ARG 1 H2 ARG 1 -4.439 3.276 13.083
3 H3 ARG 1 H3 ARG 1 -4.338 1.811 12.196
4 HA ARG 1 HA ARG 1 -3.178 4.430 11.647
5 HB2 ARG 1 HB2 ARG 1 -2.304 1.832 12.425
6 HB3 ARG 1 HB3 ARG 1 -1.723 2.078 10.788
7 HG2 ARG 1 HG2 ARG 1 -0.732 4.273 11.626
8 HG3 ARG 1 HG3 ARG 1 -1.076 3.674 13.254
9 HD2 ARG 1 HD2 ARG 1 0.164 1.535 12.063
10 HD3 ARG 1 HD3 ARG 1 1.017 2.912 11.367
11 HE ARG 1 HE ARG 1 1.081 2.020 14.112
12 HH11 ARG 1 HH11 ARG 1 1.693 4.692 11.929
13 HH12 ARG 1 HH12 ARG 1 2.812 5.467 12.998
14 HH21 ARG 1 HH21 ARG 1 2.555 3.048 15.514
15 HH22 ARG 1 HH22 ARG 1 3.302 4.535 15.032
16 H TRP 2 H TRP 2 -2.219 4.759 9.535
17 HA TRP 2 HA TRP 2 -3.980 3.803 7.398
18 HB2 TRP 2 HB2 TRP 2 -2.181 6.204 7.660
19 HB3 TRP 2 HB3 TRP 2 -2.884 5.751 6.148
20 HD1 TRP 2 HD1 TRP 2 -3.538 7.821 9.030
21 HE1 TRP 2 HE1 TRP 2 -6.001 8.605 9.072
22 HE3 TRP 2 HE3 TRP 2 -5.361 4.659 5.557
23 HZ2 TRP 2 HZ2 TRP 2 -8.427 7.921 7.747
24 HZ3 TRP 2 HZ3 TRP 2 -7.757 4.749 4.962
25 HH2 TRP 2 HH2 TRP 2 -9.258 6.352 6.042
26 H PHE 3 H PHE 3 -3.037 3.264 5.304
27 HA PHE 3 HA PHE 3 -0.323 2.951 4.814
28 HB2 PHE 3 HB2 PHE 3 0.103 0.629 5.062
29 HB3 PHE 3 HB3 PHE 3 -0.435 1.298 6.568
30 HD1 PHE 3 HD2 PHE 3 -3.219 1.137 6.700
31 HD2 PHE 3 HD1 PHE 3 -0.548 -1.446 4.624
32 HE1 PHE 3 HE2 PHE 3 -4.936 -0.634 6.707
33 HE2 PHE 3 HE1 PHE 3 -2.262 -3.220 4.636
34 HZ PHE 3 HZ PHE 3 -4.454 -2.814 5.678
35 H TYR 4 H TYR 4 0.137 1.453 2.967
36 HA TYR 4 HA TYR 4 -2.014 1.843 1.062
37 HB2 TYR 4 HB2 TYR 4 0.795 1.346 0.246
38 HB3 TYR 4 HB3 TYR 4 -0.377 2.476 -0.337
39 HD1 TYR 4 HD2 TYR 4 -0.779 3.568 2.736
40 HD2 TYR 4 HD1 TYR 4 2.465 3.083 0.022
41 HE1 TYR 4 HE2 TYR 4 0.371 5.318 3.868
42 HE2 TYR 4 HE1 TYR 4 3.664 4.874 1.183
43 HH TYR 4 HH TYR 4 3.263 5.866 3.993
44 H PHE 5 H PHE 5 -2.697 0.294 -0.310
45 HA PHE 5 HA PHE 5 -1.659 -2.427 0.098
46 HB2 PHE 5 HB2 PHE 5 -3.885 -1.991 1.104
47 HB3 PHE 5 HB3 PHE 5 -4.509 -1.637 -0.481
48 HD1 PHE 5 HD2 PHE 5 -2.389 -4.368 0.951
49 HD2 PHE 5 HD1 PHE 5 -5.785 -3.284 -1.364
50 HE1 PHE 5 HE2 PHE 5 -2.862 -6.738 0.532
51 HE2 PHE 5 HE1 PHE 5 -6.252 -5.642 -1.805
52 HZ PHE 5 HZ PHE 5 -4.793 -7.364 -0.848
53 H ASN 6 H ASN 6 -1.049 -3.515 -1.677
54 HA ASN 6 HA ASN 6 -1.827 -2.373 -4.275
55 HB2 ASN 6 HB2 ASN 6 0.629 -2.581 -3.919
56 HB3 ASN 6 HB3 ASN 6 0.446 -4.268 -3.534
57 HD21 ASN 6 HD21 ASN 6 -0.739 -2.075 -6.091
58 HD22 ASN 6 HD22 ASN 6 -0.324 -3.090 -7.419
59 H ARG 7 H ARG 7 -3.771 -3.290 -4.717
60 HA ARG 7 HA ARG 7 -4.588 -5.840 -4.045
61 HB2 ARG 7 HB2 ARG 7 -5.363 -3.432 -5.345
62 HB3 ARG 7 HB3 ARG 7 -5.941 -4.775 -6.235
63 HG2 ARG 7 HG2 ARG 7 -6.467 -4.470 -3.296
64 HG3 ARG 7 HG3 ARG 7 -7.420 -3.677 -4.528
65 HD2 ARG 7 HD2 ARG 7 -8.122 -5.762 -5.497
66 HD3 ARG 7 HD3 ARG 7 -6.966 -6.658 -4.489
67 HE ARG 7 HE ARG 7 -8.909 -5.152 -2.918
68 HH11 ARG 7 HH11 ARG 7 -8.338 -8.167 -4.642
69 HH12 ARG 7 HH12 ARG 7 -9.498 -9.055 -3.714
70 HH21 ARG 7 HH21 ARG 7 -10.427 -6.340 -1.711
71 HH22 ARG 7 HH22 ARG 7 -10.683 -8.019 -2.050
72 H ILE 8 H ILE 8 -2.240 -5.063 -6.334
73 HA ILE 8 HA ILE 8 -3.059 -7.019 -8.319
74 HB ILE 8 HB ILE 8 -0.513 -5.386 -8.074
75 HG12 ILE 8 HG12 ILE 8 -2.937 -4.350 -8.697
76 HG13 ILE 8 HG13 ILE 8 -1.419 -3.728 -9.316
77 HG21 ILE 8 HG21 ILE 8 -0.118 -7.456 -9.296
78 HG22 ILE 8 HG22 ILE 8 0.018 -6.045 -10.344
79 HG23 ILE 8 HG23 ILE 8 -1.426 -7.053 -10.411
80 HD11 ILE 8 HD11 ILE 8 -2.236 -3.978 -11.348
81 HD12 ILE 8 HD12 ILE 8 -3.646 -4.843 -10.740
82 HD13 ILE 8 HD13 ILE 8 -2.166 -5.724 -11.121
83 H THR 9 H THR 9 -0.356 -6.581 -6.037
84 HA THR 9 HA THR 9 0.312 -9.407 -6.309
85 HB THR 9 HB THR 9 2.420 -8.893 -5.310
86 HG1 THR 9 HG1 THR 9 2.858 -6.835 -4.485
87 HG21 THR 9 HG21 THR 9 3.356 -7.645 -6.961
88 HG22 THR 9 HG22 THR 9 2.057 -6.448 -6.934
89 HG23 THR 9 HG23 THR 9 1.796 -8.015 -7.701
90 H GLY 10 H GLY 10 -1.090 -7.210 -4.172
91 HA2 GLY 10 HA2 GLY 10 -2.448 -7.700 -2.338
92 HA3 GLY 10 HA3 GLY 10 -1.727 -9.278 -2.295
93 H LYS 11 H LYS 11 0.550 -6.698 -2.474
94 HA LYS 11 HA LYS 11 1.377 -7.198 0.257
95 HB2 LYS 11 HB2 LYS 11 2.610 -5.794 -2.097
96 HB3 LYS 11 HB3 LYS 11 3.364 -5.860 -0.515
97 HG2 LYS 11 HG2 LYS 11 2.571 -8.324 -2.016
98 HG3 LYS 11 HG3 LYS 11 4.113 -7.523 -2.293
99 HD2 LYS 11 HD2 LYS 11 3.112 -8.833 0.218
100 HD3 LYS 11 HD3 LYS 11 4.536 -9.246 -0.732
101 HE2 LYS 11 HE2 LYS 11 5.698 -8.023 0.729
102 HE3 LYS 11 HE3 LYS 11 4.981 -6.612 -0.047
103 HZ1 LYS 11 HZ1 LYS 11 3.055 -7.145 1.640
104 HZ2 LYS 11 HZ2 LYS 11 4.400 -6.231 2.105
105 HZ3 LYS 11 HZ3 LYS 11 4.312 -7.871 2.510
106 H ARG 12 H ARG 12 2.147 -5.183 1.477
107 HA ARG 12 HA ARG 12 0.902 -2.716 1.032
108 HB2 ARG 12 HB2 ARG 12 -0.773 -2.928 2.765
109 HB3 ARG 12 HB3 ARG 12 -1.028 -4.062 1.478
110 HG2 ARG 12 HG2 ARG 12 0.008 -5.788 2.907
111 HG3 ARG 12 HG3 ARG 12 0.061 -4.631 4.216
112 HD2 ARG 12 HD2 ARG 12 -2.537 -4.419 3.496
113 HD3 ARG 12 HD3 ARG 12 -2.221 -6.076 2.994
114 HE ARG 12 HE ARG 12 -2.374 -5.179 5.784
115 HH11 ARG 12 HH11 ARG 12 -1.197 -7.654 3.577
116 HH12 ARG 12 HH12 ARG 12 -1.114 -8.868 4.807
117 HH21 ARG 12 HH21 ARG 12 -2.256 -6.783 7.373
118 HH22 ARG 12 HH22 ARG 12 -1.716 -8.375 6.960
119 H GLN 13 H GLN 13 1.640 -1.144 2.506
120 HA GLN 13 HA GLN 13 2.499 -1.666 5.128
121 HB2 GLN 13 HB2 GLN 13 4.808 -0.593 4.288
122 HB3 GLN 13 HB3 GLN 13 4.589 -2.273 4.704
123 HG2 GLN 13 HG2 GLN 13 5.731 -2.240 2.754
124 HG3 GLN 13 HG3 GLN 13 4.074 -2.561 2.252
125 HE21 GLN 13 HE21 GLN 13 5.957 -1.406 0.413
126 HE22 GLN 13 HE22 GLN 13 5.461 0.215 0.124
127 H PHE 14 H PHE 14 4.000 0.266 5.748
128 HA PHE 14 HA PHE 14 2.416 2.669 5.222
129 HB2 PHE 14 HB2 PHE 14 3.288 1.771 7.586
130 HB3 PHE 14 HB3 PHE 14 4.754 2.612 7.111
131 HD1 PHE 14 HD1 PHE 14 1.146 3.414 6.773
132 HD2 PHE 14 HD2 PHE 14 4.939 4.586 8.256
133 HE1 PHE 14 HE1 PHE 14 0.175 5.533 7.556
134 HE2 PHE 14 HE2 PHE 14 3.988 6.706 9.047
135 HZ PHE 14 HZ PHE 14 1.604 7.173 8.694
136 H GLU 15 H GLU 15 5.227 1.160 4.131
137 HA GLU 15 HA GLU 15 6.816 3.500 3.627
138 HB2 GLU 15 HB2 GLU 15 7.265 0.814 3.849
139 HB3 GLU 15 HB3 GLU 15 7.436 1.091 2.165
140 HG2 GLU 15 HG2 GLU 15 8.786 3.122 3.598
141 HG3 GLU 15 HG3 GLU 15 9.252 1.556 4.244
142 H ARG 16 H ARG 16 7.837 3.305 1.421
143 HA ARG 16 HA ARG 16 6.145 4.383 -0.518
144 HB2 ARG 16 HB2 ARG 16 8.531 4.743 -0.558
145 HB3 ARG 16 HB3 ARG 16 8.844 3.021 -0.632
146 HG2 ARG 16 HG2 ARG 16 7.807 2.928 -2.813
147 HG3 ARG 16 HG3 ARG 16 7.579 4.675 -2.793
148 HD2 ARG 16 HD2 ARG 16 10.308 3.586 -2.304
149 HD3 ARG 16 HD3 ARG 16 9.684 3.560 -3.952
150 HE ARG 16 HE ARG 16 9.317 6.122 -2.817
151 HH11 ARG 16 HH11 ARG 16 11.837 4.047 -4.086
152 HH12 ARG 16 HH12 ARG 16 12.848 5.366 -4.569
153 HH21 ARG 16 HH21 ARG 16 10.654 7.854 -3.456
154 HH22 ARG 16 HH22 ARG 16 12.178 7.527 -4.211
155 HA PRO 17 HA PRO 17 3.847 0.832 -1.875
156 HB2 PRO 17 HB2 PRO 17 4.747 1.490 -4.634
157 HB3 PRO 17 HB3 PRO 17 3.130 1.146 -4.032
158 HG2 PRO 17 HG2 PRO 17 3.937 3.645 -4.566
159 HG3 PRO 17 HG3 PRO 17 2.823 3.275 -3.238
160 HD2 PRO 17 HD2 PRO 17 5.673 4.060 -3.138
161 HD3 PRO 17 HD3 PRO 17 4.413 4.231 -1.945
162 H LYS 18 H LYS 18 4.370 -1.250 -2.009
163 HA LYS 18 HA LYS 18 7.086 -2.074 -2.092
164 HB2 LYS 18 HB2 LYS 18 4.763 -3.321 -1.217
165 HB3 LYS 18 HB3 LYS 18 5.134 -4.212 -2.681
166 HG2 LYS 18 HG2 LYS 18 6.601 -4.055 -0.111
167 HG3 LYS 18 HG3 LYS 18 6.238 -5.450 -1.125
168 HD2 LYS 18 HD2 LYS 18 7.900 -4.594 -2.780
169 HD3 LYS 18 HD3 LYS 18 8.333 -3.335 -1.622
170 HE2 LYS 18 HE2 LYS 18 9.688 -4.732 -0.551
171 HE3 LYS 18 HE3 LYS 18 8.369 -5.878 -0.313
172 HZ1 LYS 18 HZ1 LYS 18 10.211 -6.877 -1.515
173 HZ2 LYS 18 HZ2 LYS 18 10.090 -5.705 -2.729
174 HZ3 LYS 18 HZ3 LYS 18 8.831 -6.810 -2.493
175 H GLY 19 H GLY 19 7.164 -0.719 -4.083
176 HA2 GLY 19 HA2 GLY 19 8.260 -1.635 -6.206
177 HA3 GLY 19 HA3 GLY 19 6.631 -2.190 -6.548
178 H LEU 20 H LEU 20 6.268 0.841 -4.951
179 HA LEU 20 HA LEU 20 5.509 2.835 -5.820
180 HB2 LEU 20 HB2 LEU 20 8.181 2.307 -6.629
181 HB3 LEU 20 HB3 LEU 20 7.416 3.202 -7.914
182 HG LEU 20 HG LEU 20 7.522 4.188 -5.046
183 HD11 LEU 20 HD11 LEU 20 9.377 5.594 -5.752
184 HD12 LEU 20 HD12 LEU 20 9.385 4.805 -7.329
185 HD13 LEU 20 HD13 LEU 20 9.782 3.882 -5.880
186 HD21 LEU 20 HD21 LEU 20 6.104 5.731 -5.853
187 HD22 LEU 20 HD22 LEU 20 6.302 5.149 -7.509
188 HD23 LEU 20 HD23 LEU 20 7.444 6.311 -6.840
189 H VAL 21 H VAL 21 3.845 1.227 -6.723
190 HA VAL 21 HA VAL 21 3.502 1.692 -9.536
191 HB VAL 21 HB VAL 21 2.340 -0.831 -8.651
192 HG11 VAL 21 HG11 VAL 21 4.015 -1.069 -10.932
193 HG12 VAL 21 HG12 VAL 21 3.115 0.438 -11.102
194 HG13 VAL 21 HG13 VAL 21 2.252 -1.083 -10.872
195 HG21 VAL 21 HG21 VAL 21 4.230 -1.993 -8.396
196 HG22 VAL 21 HG22 VAL 21 4.682 -0.463 -7.662
197 HG23 VAL 21 HG23 VAL 21 5.198 -0.833 -9.295
198 H LYS 22 H LYS 22 1.354 0.556 -10.088
199 HA LYS 22 HA LYS 22 -0.754 2.202 -8.932
200 HB2 LYS 22 HB2 LYS 22 -0.535 0.627 -11.506
201 HB3 LYS 22 HB3 LYS 22 -2.068 1.273 -10.938
202 HG2 LYS 22 HG2 LYS 22 -1.559 3.368 -11.549
203 HG3 LYS 22 HG3 LYS 22 0.118 3.225 -11.022
204 HD2 LYS 22 HD2 LYS 22 0.599 3.230 -13.213
205 HD3 LYS 22 HD3 LYS 22 0.064 1.550 -13.179
206 HE2 LYS 22 HE2 LYS 22 -1.148 2.450 -14.944
207 HE3 LYS 22 HE3 LYS 22 -2.288 2.524 -13.602
208 HZ1 LYS 22 HZ1 LYS 22 -2.224 4.579 -14.915
209 HZ2 LYS 22 HZ2 LYS 22 -0.596 4.790 -14.510
210 HZ3 LYS 22 HZ3 LYS 22 -1.781 4.843 -13.304
211 H GLY 23 H GLY 23 -2.981 0.887 -8.870
212 HA2 GLY 23 HA2 GLY 23 -4.076 -1.221 -8.182
213 HA3 GLY 23 HA3 GLY 23 -2.476 -1.907 -7.978
214 H TRP 24 H TRP 24 -1.421 0.321 -6.579
215 HA TRP 24 HA TRP 24 -1.791 -0.352 -3.938
216 HB2 TRP 24 HB2 TRP 24 -0.539 1.961 -5.420
217 HB3 TRP 24 HB3 TRP 24 -0.417 1.793 -3.690
218 HD1 TRP 24 HD1 TRP 24 1.308 0.710 -6.798
219 HE1 TRP 24 HE1 TRP 24 3.079 -0.999 -6.233
220 HE3 TRP 24 HE3 TRP 24 -0.105 -0.382 -2.019
221 HZ2 TRP 24 HZ2 TRP 24 3.791 -2.675 -4.112
222 HZ3 TRP 24 HZ3 TRP 24 1.148 -2.144 -0.845
223 HH2 TRP 24 HH2 TRP 24 3.072 -3.193 -1.836
224 H GLU 25 H GLU 25 -3.092 0.490 -2.298
225 HA GLU 25 HA GLU 25 -4.485 3.018 -2.731
226 HB2 GLU 25 HB2 GLU 25 -5.886 0.365 -2.703
227 HB3 GLU 25 HB3 GLU 25 -6.664 1.741 -1.936
228 HG2 GLU 25 HG2 GLU 25 -7.505 2.179 -3.942
229 HG3 GLU 25 HG3 GLU 25 -5.900 2.786 -4.344
230 H LYS 26 H LYS 26 -4.243 4.124 -0.878
231 HA LYS 26 HA LYS 26 -3.424 2.793 1.482
232 HB2 LYS 26 HB2 LYS 26 -2.631 5.151 1.229
233 HB3 LYS 26 HB3 LYS 26 -4.258 5.692 0.956
234 HG2 LYS 26 HG2 LYS 26 -4.856 5.396 3.271
235 HG3 LYS 26 HG3 LYS 26 -3.269 4.702 3.625
236 HD2 LYS 26 HD2 LYS 26 -3.445 7.410 2.367
237 HD3 LYS 26 HD3 LYS 26 -3.762 7.222 4.100
238 HE2 LYS 26 HE2 LYS 26 -1.558 6.070 4.352
239 HE3 LYS 26 HE3 LYS 26 -1.245 6.405 2.643
240 HZ1 LYS 26 HZ1 LYS 26 -0.196 8.044 4.058
241 HZ2 LYS 26 HZ2 LYS 26 -1.684 8.449 4.752
242 HZ3 LYS 26 HZ3 LYS 26 -1.398 8.774 3.116
243 H ARG 27 H ARG 27 -4.556 1.915 3.066
244 HA ARG 27 HA ARG 27 -7.430 2.525 3.299
245 HB2 ARG 27 HB2 ARG 27 -6.346 0.140 2.456
246 HB3 ARG 27 HB3 ARG 27 -6.691 -0.239 4.102
247 HG2 ARG 27 HG2 ARG 27 -8.454 0.407 1.779
248 HG3 ARG 27 HG3 ARG 27 -8.592 -0.873 2.963
249 HD2 ARG 27 HD2 ARG 27 -9.428 0.708 4.630
250 HD3 ARG 27 HD3 ARG 27 -9.198 2.037 3.497
251 HE ARG 27 HE ARG 27 -10.938 0.286 2.257
252 HH11 ARG 27 HH11 ARG 27 -10.892 2.074 5.266
253 HH12 ARG 27 HH12 ARG 27 -12.615 2.220 5.343
254 HH21 ARG 27 HH21 ARG 27 -13.200 0.479 2.363
255 HH22 ARG 27 HH22 ARG 27 -13.927 1.313 3.695
256 H TRP 28 H TRP 28 -8.265 1.648 5.383
257 HA TRP 28 HA TRP 28 -6.744 2.773 7.561
258 HB2 TRP 28 HB2 TRP 28 -9.231 3.125 7.206
259 HB3 TRP 28 HB3 TRP 28 -9.459 1.456 7.693
260 HD1 TRP 28 HD1 TRP 28 -10.557 1.636 9.966
261 HE1 TRP 28 HE1 TRP 28 -10.024 2.789 12.187
262 HE3 TRP 28 HE3 TRP 28 -6.543 4.409 8.474
263 HZ2 TRP 28 HZ2 TRP 28 -8.143 4.649 13.189
264 HZ3 TRP 28 HZ3 TRP 28 -5.434 5.856 10.125
265 HH2 TRP 28 HH2 TRP 28 -6.218 5.974 12.432
266 H ASP 29 H ASP 29 -6.249 1.701 9.521
267 HA ASP 29 HA ASP 29 -6.113 -1.239 9.335
268 HB2 ASP 29 HB2 ASP 29 -3.894 0.094 9.141
269 HB3 ASP 29 HB3 ASP 29 -4.077 0.378 10.853