Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26283 | 2khg RC | 16241 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 2.866 0.729 -1.180
3 HA3 GLY 1 HA3 GLY 1 2.505 -0.977 -1.396
4 H ALA 2 H ALA 2 0.438 -1.514 -2.447
5 HA ALA 2 HA ALA 2 0.142 -0.188 -4.889
6 HB1 ALA 2 HB1 ALA 2 -1.308 -2.325 -3.455
7 HB2 ALA 2 HB2 ALA 2 -2.187 -1.501 -4.743
8 HB3 ALA 2 HB3 ALA 2 -0.652 -2.296 -5.092
9 H TRP 3 H TRP 3 -1.398 0.323 -1.808
10 HA TRP 3 HA TRP 3 -3.505 1.978 -2.872
11 HB2 TRP 3 HB2 TRP 3 -4.126 2.349 -0.551
12 HB3 TRP 3 HB3 TRP 3 -3.812 0.636 -0.813
13 HD1 TRP 3 HD1 TRP 3 -1.829 -0.463 0.524
14 HE1 TRP 3 HE1 TRP 3 -0.324 0.361 2.443
15 HE3 TRP 3 HE3 TRP 3 -2.959 4.520 0.357
16 HZ2 TRP 3 HZ2 TRP 3 0.300 2.801 3.718
17 HZ3 TRP 3 HZ3 TRP 3 -1.865 6.032 1.961
18 HH2 TRP 3 HH2 TRP 3 -0.270 5.188 3.606
19 H LYS 4 H LYS 4 -0.339 2.434 -1.447
20 HA LYS 4 HA LYS 4 -0.577 5.242 -1.037
21 HB2 LYS 4 HB2 LYS 4 1.092 3.659 0.059
22 HB3 LYS 4 HB3 LYS 4 1.996 3.723 -1.448
23 HG2 LYS 4 HG2 LYS 4 1.670 6.359 -0.954
24 HG3 LYS 4 HG3 LYS 4 1.738 5.719 0.689
25 HD2 LYS 4 HD2 LYS 4 3.966 5.936 0.383
26 HD3 LYS 4 HD3 LYS 4 3.791 4.376 -0.424
27 HE2 LYS 4 HE2 LYS 4 4.990 5.604 -1.975
28 HE3 LYS 4 HE3 LYS 4 3.331 5.805 -2.538
29 HZ1 LYS 4 HZ1 LYS 4 5.129 7.800 -1.920
30 HZ2 LYS 4 HZ2 LYS 4 4.004 7.819 -0.658
31 HZ3 LYS 4 HZ3 LYS 4 3.482 7.984 -2.259
32 H ASN 5 H ASN 5 0.365 3.226 -3.728
33 HA ASN 5 HA ASN 5 1.748 5.038 -5.307
34 HB2 ASN 5 HB2 ASN 5 1.608 2.711 -5.935
35 HB3 ASN 5 HB3 ASN 5 -0.140 2.820 -6.121
36 HD21 ASN 5 HD21 ASN 5 -0.990 3.998 -7.880
37 HD22 ASN 5 HD22 ASN 5 -0.046 4.280 -9.300
38 H PHE 6 H PHE 6 -1.739 4.564 -4.961
39 HA PHE 6 HA PHE 6 -2.556 6.323 -6.992
40 HB2 PHE 6 HB2 PHE 6 -3.953 4.615 -5.666
41 HB3 PHE 6 HB3 PHE 6 -4.109 5.879 -4.451
42 HD1 PHE 6 HD1 PHE 6 -4.918 8.204 -5.379
43 HD2 PHE 6 HD2 PHE 6 -5.547 4.464 -7.312
44 HE1 PHE 6 HE1 PHE 6 -6.808 9.169 -6.624
45 HE2 PHE 6 HE2 PHE 6 -7.437 5.423 -8.560
46 HZ PHE 6 HZ PHE 6 -8.070 7.779 -8.218
47 H TRP 7 H TRP 7 -2.043 6.857 -3.521
48 HA TRP 7 HA TRP 7 -2.827 9.542 -3.441
49 HB2 TRP 7 HB2 TRP 7 -0.875 7.982 -1.746
50 HB3 TRP 7 HB3 TRP 7 -1.328 9.648 -1.396
51 HD1 TRP 7 HD1 TRP 7 -2.116 6.452 -0.124
52 HE1 TRP 7 HE1 TRP 7 -4.510 6.295 0.807
53 HE3 TRP 7 HE3 TRP 7 -4.113 10.618 -2.314
54 HZ2 TRP 7 HZ2 TRP 7 -6.926 7.745 0.636
55 HZ3 TRP 7 HZ3 TRP 7 -6.472 11.162 -1.879
56 HH2 TRP 7 HH2 TRP 7 -7.848 9.754 -0.435
57 H SER 8 H SER 8 0.258 8.050 -4.250
58 HA SER 8 HA SER 8 1.859 10.343 -4.249
59 HB2 SER 8 HB2 SER 8 2.412 7.768 -4.606
60 HB3 SER 8 HB3 SER 8 2.345 8.234 -6.305
61 HG SER 8 HG SER 8 4.069 9.177 -4.278
62 H SER 9 H SER 9 -0.274 9.006 -6.708
63 HA SER 9 HA SER 9 0.535 10.691 -8.829
64 HB2 SER 9 HB2 SER 9 -1.992 9.129 -8.302
65 HB3 SER 9 HB3 SER 9 -1.773 10.093 -9.762
66 HG SER 9 HG SER 9 -0.860 8.329 -10.469
67 H LEU 10 H LEU 10 -2.288 10.878 -6.659
68 HA LEU 10 HA LEU 10 -3.375 13.245 -7.571
69 HB2 LEU 10 HB2 LEU 10 -3.246 12.401 -4.683
70 HB3 LEU 10 HB3 LEU 10 -4.445 13.455 -5.429
71 HG LEU 10 HG LEU 10 -4.112 10.493 -5.896
72 HD11 LEU 10 HD11 LEU 10 -5.266 11.633 -3.772
73 HD12 LEU 10 HD12 LEU 10 -5.862 10.145 -4.507
74 HD13 LEU 10 HD13 LEU 10 -6.624 11.687 -4.897
75 HD21 LEU 10 HD21 LEU 10 -6.496 11.203 -7.004
76 HD22 LEU 10 HD22 LEU 10 -4.999 10.955 -7.903
77 HD23 LEU 10 HD23 LEU 10 -5.482 12.583 -7.425
78 H ARG 11 H ARG 11 -0.814 12.784 -5.164
79 HA ARG 11 HA ARG 11 -0.501 15.415 -4.338
80 HB2 ARG 11 HB2 ARG 11 1.115 12.972 -4.303
81 HB3 ARG 11 HB3 ARG 11 2.075 14.445 -4.341
82 HG2 ARG 11 HG2 ARG 11 1.191 15.210 -2.313
83 HG3 ARG 11 HG3 ARG 11 -0.151 14.066 -2.370
84 HD2 ARG 11 HD2 ARG 11 1.627 12.240 -2.248
85 HD3 ARG 11 HD3 ARG 11 2.749 13.524 -1.801
86 HE ARG 11 HE ARG 11 0.755 12.329 -0.141
87 HH11 ARG 11 HH11 ARG 11 2.525 15.264 -0.749
88 HH12 ARG 11 HH12 ARG 11 2.369 15.849 0.875
89 HH21 ARG 11 HH21 ARG 11 0.542 13.088 2.000
90 HH22 ARG 11 HH22 ARG 11 1.241 14.610 2.437
91 H LYS 12 H LYS 12 1.300 13.728 -6.913
92 HA LYS 12 HA LYS 12 2.756 15.938 -7.809
93 HB2 LYS 12 HB2 LYS 12 2.092 13.262 -8.832
94 HB3 LYS 12 HB3 LYS 12 2.432 14.450 -10.083
95 HG2 LYS 12 HG2 LYS 12 4.428 13.198 -9.441
96 HG3 LYS 12 HG3 LYS 12 4.592 14.920 -9.089
97 HD2 LYS 12 HD2 LYS 12 3.499 13.275 -6.903
98 HD3 LYS 12 HD3 LYS 12 5.180 12.948 -7.333
99 HE2 LYS 12 HE2 LYS 12 5.090 15.689 -7.302
100 HE3 LYS 12 HE3 LYS 12 3.995 15.257 -5.990
101 HZ1 LYS 12 HZ1 LYS 12 5.993 13.638 -5.434
102 HZ2 LYS 12 HZ2 LYS 12 5.938 15.228 -4.859
103 HZ3 LYS 12 HZ3 LYS 12 6.874 14.852 -6.217
104 H GLY 13 H GLY 13 -0.520 14.922 -8.481
105 HA2 GLY 13 HA2 GLY 13 -0.924 16.595 -10.754
106 HA3 GLY 13 HA3 GLY 13 -2.181 15.839 -9.787
107 H PHE 14 H PHE 14 -1.882 16.932 -7.340
108 HA PHE 14 HA PHE 14 -3.046 19.486 -7.659
109 HB2 PHE 14 HB2 PHE 14 -3.439 17.889 -5.742
110 HB3 PHE 14 HB3 PHE 14 -1.864 18.365 -5.115
111 HD1 PHE 14 HD2 PHE 14 -1.486 20.759 -4.473
112 HD2 PHE 14 HD1 PHE 14 -5.344 19.207 -5.377
113 HE1 PHE 14 HE2 PHE 14 -2.521 22.674 -3.325
114 HE2 PHE 14 HE1 PHE 14 -6.386 21.120 -4.232
115 HZ PHE 14 HZ PHE 14 -4.974 22.855 -3.203
116 H TYR 15 H TYR 15 0.219 18.414 -7.191
117 HA TYR 15 HA TYR 15 1.387 20.725 -6.149
118 HB2 TYR 15 HB2 TYR 15 2.324 18.282 -6.821
119 HB3 TYR 15 HB3 TYR 15 2.956 19.226 -8.165
120 HD1 TYR 15 HD2 TYR 15 4.056 21.555 -7.358
121 HD2 TYR 15 HD1 TYR 15 3.702 18.034 -4.996
122 HE1 TYR 15 HE2 TYR 15 5.920 22.320 -5.948
123 HE2 TYR 15 HE1 TYR 15 5.565 18.790 -3.579
124 HH TYR 15 HH TYR 15 6.714 21.914 -3.567
125 H ASP 16 H ASP 16 0.371 19.934 -9.394
126 HA ASP 16 HA ASP 16 1.519 22.441 -10.402
127 HB2 ASP 16 HB2 ASP 16 1.629 19.985 -11.517
128 HB3 ASP 16 HB3 ASP 16 0.155 20.589 -12.268
129 H GLY 17 H GLY 17 -0.770 22.472 -8.672
130 HA2 GLY 17 HA2 GLY 17 -2.744 23.605 -10.553
131 HA3 GLY 17 HA3 GLY 17 -3.250 22.607 -9.199
132 H GLU 18 H GLU 18 -1.827 23.501 -7.110
133 HA GLU 18 HA GLU 18 -2.930 26.170 -6.735
134 HB2 GLU 18 HB2 GLU 18 -3.341 24.398 -5.050
135 HB3 GLU 18 HB3 GLU 18 -1.614 24.327 -4.732
136 HG2 GLU 18 HG2 GLU 18 -2.246 25.698 -3.043
137 HG3 GLU 18 HG3 GLU 18 -1.942 26.906 -4.291
138 H ALA 19 H ALA 19 0.186 24.504 -6.331
139 HA ALA 19 HA ALA 19 1.684 26.759 -5.591
140 HB1 ALA 19 HB1 ALA 19 2.827 24.457 -7.140
141 HB2 ALA 19 HB2 ALA 19 3.593 25.440 -5.892
142 HB3 ALA 19 HB3 ALA 19 2.329 24.289 -5.456
143 H GLY 20 H GLY 20 0.512 25.690 -8.669
144 HA2 GLY 20 HA2 GLY 20 2.325 26.896 -10.410
145 HA3 GLY 20 HA3 GLY 20 0.623 26.630 -10.759
146 H ARG 21 H ARG 21 -0.156 28.328 -8.432
147 HA ARG 21 HA ARG 21 0.050 30.878 -9.835
148 HB2 ARG 21 HB2 ARG 21 -2.115 29.757 -8.837
149 HB3 ARG 21 HB3 ARG 21 -1.562 30.504 -7.345
150 HG2 ARG 21 HG2 ARG 21 -1.512 32.690 -8.535
151 HG3 ARG 21 HG3 ARG 21 -2.246 31.889 -9.926
152 HD2 ARG 21 HD2 ARG 21 -4.272 31.990 -9.009
153 HD3 ARG 21 HD3 ARG 21 -3.689 31.292 -7.499
154 HE ARG 21 HE ARG 21 -2.836 33.839 -7.331
155 HH11 ARG 21 HH11 ARG 21 -5.933 32.438 -8.083
156 HH12 ARG 21 HH12 ARG 21 -6.838 33.764 -7.431
157 HH21 ARG 21 HH21 ARG 21 -4.016 35.591 -6.470
158 HH22 ARG 21 HH22 ARG 21 -5.746 35.557 -6.515
159 H ALA 22 H ALA 22 0.789 29.435 -6.698
160 HA ALA 22 HA ALA 22 2.847 31.401 -6.240
161 HB1 ALA 22 HB1 ALA 22 0.293 31.927 -5.209
162 HB2 ALA 22 HB2 ALA 22 1.271 31.389 -3.843
163 HB3 ALA 22 HB3 ALA 22 1.803 32.754 -4.824
164 H ILE 23 H ILE 23 4.494 30.496 -5.171
165 HA ILE 23 HA ILE 23 4.098 27.828 -4.046
166 HB ILE 23 HB ILE 23 6.707 29.267 -4.525
167 HG12 ILE 23 HG12 ILE 23 5.296 27.257 -6.293
168 HG13 ILE 23 HG13 ILE 23 5.426 28.981 -6.623
169 HG21 ILE 23 HG21 ILE 23 7.739 27.134 -4.276
170 HG22 ILE 23 HG22 ILE 23 6.671 27.369 -2.893
171 HG23 ILE 23 HG23 ILE 23 6.175 26.319 -4.220
172 HD11 ILE 23 HD11 ILE 23 7.231 26.903 -7.288
173 HD12 ILE 23 HD12 ILE 23 7.340 28.624 -7.659
174 HD13 ILE 23 HD13 ILE 23 8.036 27.998 -6.165
175 H ARG 24 H ARG 24 5.275 31.032 -3.153
176 HA ARG 24 HA ARG 24 5.316 30.156 -0.339
177 HB2 ARG 24 HB2 ARG 24 7.154 31.892 -1.900
178 HB3 ARG 24 HB3 ARG 24 6.824 32.371 -0.240
179 HG2 ARG 24 HG2 ARG 24 8.703 31.064 -0.009
180 HG3 ARG 24 HG3 ARG 24 7.410 29.909 0.321
181 HD2 ARG 24 HD2 ARG 24 7.596 29.573 -2.316
182 HD3 ARG 24 HD3 ARG 24 9.246 30.106 -1.998
183 HE ARG 24 HE ARG 24 8.140 27.567 -1.392
184 HH11 ARG 24 HH11 ARG 24 10.358 29.967 -0.192
185 HH12 ARG 24 HH12 ARG 24 11.322 28.826 0.685
186 HH21 ARG 24 HH21 ARG 24 9.402 26.054 -0.241
187 HH22 ARG 24 HH22 ARG 24 10.778 26.600 0.655
188 H ARG 25 H ARG 25 4.360 32.638 -2.622
189 HA ARG 25 HA ARG 25 3.199 34.322 -0.580
190 HB2 ARG 25 HB2 ARG 25 3.653 34.483 -3.493
191 HB3 ARG 25 HB3 ARG 25 2.212 35.304 -2.909
192 HG2 ARG 25 HG2 ARG 25 3.521 36.653 -1.412
193 HG3 ARG 25 HG3 ARG 25 4.983 35.754 -1.824
194 HD2 ARG 25 HD2 ARG 25 5.296 36.908 -3.722
195 HD3 ARG 25 HD3 ARG 25 3.583 36.865 -4.138
196 HE ARG 25 HE ARG 25 4.035 38.657 -1.996
197 HH11 ARG 25 HH11 ARG 25 4.475 38.330 -5.434
198 HH12 ARG 25 HH12 ARG 25 4.412 40.034 -5.736
199 HH21 ARG 25 HH21 ARG 25 3.949 40.904 -2.382
200 HH22 ARG 25 HH22 ARG 25 4.113 41.498 -3.999
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.970 1.157 -0.287
2 HA2 GLY 1 HA2 GLY 1 2.724 -0.979 -0.572
3 HA3 GLY 1 HA3 GLY 1 1.442 -0.229 0.367
4 H ALA 2 H ALA 2 1.046 -1.338 -2.176
5 HA ALA 2 HA ALA 2 1.180 0.427 -4.322
6 HB1 ALA 2 HB1 ALA 2 -1.101 -0.934 -4.865
7 HB2 ALA 2 HB2 ALA 2 0.526 -1.561 -5.137
8 HB3 ALA 2 HB3 ALA 2 -0.351 -1.991 -3.668
9 H TRP 3 H TRP 3 -1.036 0.309 -1.632
10 HA TRP 3 HA TRP 3 -3.133 1.846 -2.660
11 HB2 TRP 3 HB2 TRP 3 -3.756 2.266 -0.352
12 HB3 TRP 3 HB3 TRP 3 -3.216 0.598 -0.517
13 HD1 TRP 3 HD1 TRP 3 -1.037 -0.123 0.793
14 HE1 TRP 3 HE1 TRP 3 0.357 1.013 2.635
15 HE3 TRP 3 HE3 TRP 3 -2.939 4.610 0.448
16 HZ2 TRP 3 HZ2 TRP 3 0.616 3.576 3.788
17 HZ3 TRP 3 HZ3 TRP 3 -2.064 6.346 1.957
18 HH2 TRP 3 HH2 TRP 3 -0.324 5.837 3.592
19 H LYS 4 H LYS 4 -0.040 2.782 -1.286
20 HA LYS 4 HA LYS 4 -0.624 5.559 -1.072
21 HB2 LYS 4 HB2 LYS 4 1.158 4.657 0.254
22 HB3 LYS 4 HB3 LYS 4 1.977 4.030 -1.170
23 HG2 LYS 4 HG2 LYS 4 1.512 6.935 -1.154
24 HG3 LYS 4 HG3 LYS 4 2.636 6.329 0.065
25 HD2 LYS 4 HD2 LYS 4 2.956 5.306 -2.699
26 HD3 LYS 4 HD3 LYS 4 3.404 6.988 -2.406
27 HE2 LYS 4 HE2 LYS 4 4.512 5.617 -0.271
28 HE3 LYS 4 HE3 LYS 4 4.762 4.538 -1.642
29 HZ1 LYS 4 HZ1 LYS 4 6.008 6.129 -2.764
30 HZ2 LYS 4 HZ2 LYS 4 6.535 6.282 -1.164
31 HZ3 LYS 4 HZ3 LYS 4 5.447 7.406 -1.806
32 H ASN 5 H ASN 5 0.404 3.494 -3.658
33 HA ASN 5 HA ASN 5 1.665 5.253 -5.375
34 HB2 ASN 5 HB2 ASN 5 1.297 2.758 -5.688
35 HB3 ASN 5 HB3 ASN 5 -0.310 3.159 -6.287
36 HD21 ASN 5 HD21 ASN 5 -0.429 3.195 -8.399
37 HD22 ASN 5 HD22 ASN 5 0.826 3.667 -9.489
38 H PHE 6 H PHE 6 -1.822 4.567 -5.154
39 HA PHE 6 HA PHE 6 -2.699 6.304 -7.133
40 HB2 PHE 6 HB2 PHE 6 -4.229 4.726 -6.171
41 HB3 PHE 6 HB3 PHE 6 -4.034 5.430 -4.568
42 HD1 PHE 6 HD1 PHE 6 -4.638 7.057 -7.860
43 HD2 PHE 6 HD2 PHE 6 -6.111 6.228 -3.953
44 HE1 PHE 6 HE1 PHE 6 -6.564 8.530 -8.277
45 HE2 PHE 6 HE2 PHE 6 -8.040 7.699 -4.365
46 HZ PHE 6 HZ PHE 6 -8.268 8.852 -6.529
47 H TRP 7 H TRP 7 -2.367 6.934 -3.645
48 HA TRP 7 HA TRP 7 -3.172 9.609 -3.690
49 HB2 TRP 7 HB2 TRP 7 -1.202 8.258 -1.832
50 HB3 TRP 7 HB3 TRP 7 -1.971 9.815 -1.539
51 HD1 TRP 7 HD1 TRP 7 -2.282 6.538 -0.285
52 HE1 TRP 7 HE1 TRP 7 -4.682 5.950 0.436
53 HE3 TRP 7 HE3 TRP 7 -4.799 10.262 -2.722
54 HZ2 TRP 7 HZ2 TRP 7 -7.296 6.934 0.026
55 HZ3 TRP 7 HZ3 TRP 7 -7.247 10.368 -2.506
56 HH2 TRP 7 HH2 TRP 7 -8.468 8.737 -1.160
57 H SER 8 H SER 8 -0.038 8.133 -4.299
58 HA SER 8 HA SER 8 1.540 10.445 -4.255
59 HB2 SER 8 HB2 SER 8 3.232 9.122 -5.074
60 HB3 SER 8 HB3 SER 8 2.128 7.860 -4.526
61 HG SER 8 HG SER 8 2.991 8.389 -7.016
62 H SER 9 H SER 9 -0.287 8.936 -6.883
63 HA SER 9 HA SER 9 0.581 10.642 -8.944
64 HB2 SER 9 HB2 SER 9 -0.619 8.474 -9.282
65 HB3 SER 9 HB3 SER 9 -2.102 9.256 -8.737
66 HG SER 9 HG SER 9 -0.772 9.462 -11.143
67 H LEU 10 H LEU 10 -2.409 10.742 -7.007
68 HA LEU 10 HA LEU 10 -3.514 13.048 -8.054
69 HB2 LEU 10 HB2 LEU 10 -3.605 12.257 -5.150
70 HB3 LEU 10 HB3 LEU 10 -4.782 13.232 -6.026
71 HG LEU 10 HG LEU 10 -4.248 10.300 -6.502
72 HD11 LEU 10 HD11 LEU 10 -6.863 10.689 -5.630
73 HD12 LEU 10 HD12 LEU 10 -5.872 11.674 -4.555
74 HD13 LEU 10 HD13 LEU 10 -5.539 9.951 -4.730
75 HD21 LEU 10 HD21 LEU 10 -6.566 10.672 -7.674
76 HD22 LEU 10 HD22 LEU 10 -5.059 11.013 -8.525
77 HD23 LEU 10 HD23 LEU 10 -5.989 12.333 -7.813
78 H ARG 11 H ARG 11 -1.114 12.712 -5.475
79 HA ARG 11 HA ARG 11 -0.990 15.356 -4.630
80 HB2 ARG 11 HB2 ARG 11 0.551 12.976 -4.284
81 HB3 ARG 11 HB3 ARG 11 1.652 14.306 -4.620
82 HG2 ARG 11 HG2 ARG 11 0.240 15.549 -2.809
83 HG3 ARG 11 HG3 ARG 11 -0.199 13.912 -2.320
84 HD2 ARG 11 HD2 ARG 11 1.746 13.669 -1.279
85 HD3 ARG 11 HD3 ARG 11 2.616 14.024 -2.772
86 HE ARG 11 HE ARG 11 1.786 16.454 -1.739
87 HH11 ARG 11 HH11 ARG 11 3.849 13.820 -0.776
88 HH12 ARG 11 HH12 ARG 11 4.903 14.819 0.168
89 HH21 ARG 11 HH21 ARG 11 3.166 17.780 -0.498
90 HH22 ARG 11 HH22 ARG 11 4.513 17.071 0.327
91 H LYS 12 H LYS 12 0.866 13.749 -7.202
92 HA LYS 12 HA LYS 12 2.442 15.911 -7.970
93 HB2 LYS 12 HB2 LYS 12 1.585 13.368 -9.178
94 HB3 LYS 12 HB3 LYS 12 2.022 14.615 -10.338
95 HG2 LYS 12 HG2 LYS 12 3.926 13.209 -9.823
96 HG3 LYS 12 HG3 LYS 12 4.201 14.859 -9.259
97 HD2 LYS 12 HD2 LYS 12 2.973 13.000 -7.318
98 HD3 LYS 12 HD3 LYS 12 4.653 12.677 -7.752
99 HE2 LYS 12 HE2 LYS 12 4.638 15.394 -7.362
100 HE3 LYS 12 HE3 LYS 12 3.504 14.824 -6.138
101 HZ1 LYS 12 HZ1 LYS 12 5.462 14.642 -5.015
102 HZ2 LYS 12 HZ2 LYS 12 6.375 14.304 -6.398
103 HZ3 LYS 12 HZ3 LYS 12 5.408 13.100 -5.709
104 H GLY 13 H GLY 13 -0.877 15.105 -8.794
105 HA2 GLY 13 HA2 GLY 13 -1.179 16.968 -10.909
106 HA3 GLY 13 HA3 GLY 13 -2.482 16.246 -9.978
107 H PHE 14 H PHE 14 -2.101 17.166 -7.474
108 HA PHE 14 HA PHE 14 -3.058 19.826 -7.646
109 HB2 PHE 14 HB2 PHE 14 -3.758 18.324 -5.849
110 HB3 PHE 14 HB3 PHE 14 -2.107 18.254 -5.243
111 HD1 PHE 14 HD1 PHE 14 -1.099 20.214 -4.162
112 HD2 PHE 14 HD2 PHE 14 -5.177 20.177 -5.379
113 HE1 PHE 14 HE1 PHE 14 -1.541 22.164 -2.727
114 HE2 PHE 14 HE2 PHE 14 -5.626 22.127 -3.947
115 HZ PHE 14 HZ PHE 14 -3.807 23.123 -2.619
116 H TYR 15 H TYR 15 0.092 18.444 -7.186
117 HA TYR 15 HA TYR 15 1.458 20.516 -5.954
118 HB2 TYR 15 HB2 TYR 15 2.194 18.112 -6.895
119 HB3 TYR 15 HB3 TYR 15 2.850 19.123 -8.178
120 HD1 TYR 15 HD2 TYR 15 4.170 21.272 -7.226
121 HD2 TYR 15 HD1 TYR 15 3.609 17.598 -5.154
122 HE1 TYR 15 HE2 TYR 15 6.142 21.759 -5.839
123 HE2 TYR 15 HE1 TYR 15 5.578 18.076 -3.761
124 HH TYR 15 HH TYR 15 7.704 20.749 -4.439
125 H ASP 16 H ASP 16 0.403 20.190 -9.275
126 HA ASP 16 HA ASP 16 1.611 22.803 -9.895
127 HB2 ASP 16 HB2 ASP 16 0.666 20.667 -11.819
128 HB3 ASP 16 HB3 ASP 16 1.466 22.176 -12.251
129 H GLY 17 H GLY 17 -0.943 22.259 -8.474
130 HA2 GLY 17 HA2 GLY 17 -2.814 23.471 -10.410
131 HA3 GLY 17 HA3 GLY 17 -3.306 22.488 -9.039
132 H GLU 18 H GLU 18 -2.102 23.491 -6.914
133 HA GLU 18 HA GLU 18 -3.313 26.120 -6.673
134 HB2 GLU 18 HB2 GLU 18 -3.659 24.319 -4.963
135 HB3 GLU 18 HB3 GLU 18 -1.960 24.468 -4.537
136 HG2 GLU 18 HG2 GLU 18 -3.103 27.059 -4.474
137 HG3 GLU 18 HG3 GLU 18 -4.166 25.968 -3.587
138 H ALA 19 H ALA 19 -0.141 24.633 -6.044
139 HA ALA 19 HA ALA 19 1.174 27.054 -5.406
140 HB1 ALA 19 HB1 ALA 19 2.553 25.457 -4.676
141 HB2 ALA 19 HB2 ALA 19 1.915 24.265 -5.809
142 HB3 ALA 19 HB3 ALA 19 3.161 25.399 -6.331
143 H GLY 20 H GLY 20 0.336 25.548 -8.409
144 HA2 GLY 20 HA2 GLY 20 2.239 26.603 -10.141
145 HA3 GLY 20 HA3 GLY 20 0.576 26.245 -10.583
146 H ARG 21 H ARG 21 -0.612 28.133 -8.754
147 HA ARG 21 HA ARG 21 -0.327 30.498 -10.386
148 HB2 ARG 21 HB2 ARG 21 -2.550 29.751 -9.685
149 HB3 ARG 21 HB3 ARG 21 -2.096 29.946 -7.998
150 HG2 ARG 21 HG2 ARG 21 -1.574 32.410 -9.231
151 HG3 ARG 21 HG3 ARG 21 -3.147 31.876 -9.828
152 HD2 ARG 21 HD2 ARG 21 -2.419 31.859 -6.909
153 HD3 ARG 21 HD3 ARG 21 -3.147 33.256 -7.700
154 HE ARG 21 HE ARG 21 -4.668 30.916 -8.193
155 HH11 ARG 21 HH11 ARG 21 -3.950 33.266 -5.727
156 HH12 ARG 21 HH12 ARG 21 -5.468 33.071 -4.915
157 HH21 ARG 21 HH21 ARG 21 -6.670 30.650 -7.133
158 HH22 ARG 21 HH22 ARG 21 -7.015 31.582 -5.716
159 H ALA 22 H ALA 22 0.435 29.495 -7.102
160 HA ALA 22 HA ALA 22 2.441 31.492 -6.830
161 HB1 ALA 22 HB1 ALA 22 1.470 32.782 -5.011
162 HB2 ALA 22 HB2 ALA 22 0.482 32.917 -6.466
163 HB3 ALA 22 HB3 ALA 22 -0.032 31.868 -5.146
164 H ILE 23 H ILE 23 3.938 30.788 -5.434
165 HA ILE 23 HA ILE 23 3.293 28.440 -3.812
166 HB ILE 23 HB ILE 23 5.990 29.632 -4.468
167 HG12 ILE 23 HG12 ILE 23 4.630 27.175 -5.596
168 HG13 ILE 23 HG13 ILE 23 4.781 28.715 -6.435
169 HG21 ILE 23 HG21 ILE 23 6.140 28.435 -2.416
170 HG22 ILE 23 HG22 ILE 23 5.190 27.096 -3.058
171 HG23 ILE 23 HG23 ILE 23 6.814 27.400 -3.675
172 HD11 ILE 23 HD11 ILE 23 6.487 27.401 -7.311
173 HD12 ILE 23 HD12 ILE 23 7.300 28.421 -6.123
174 HD13 ILE 23 HD13 ILE 23 6.919 26.743 -5.733
175 H ARG 24 H ARG 24 4.877 31.608 -3.504
176 HA ARG 24 HA ARG 24 4.451 31.437 -0.593
177 HB2 ARG 24 HB2 ARG 24 6.803 32.066 -2.115
178 HB3 ARG 24 HB3 ARG 24 6.338 33.465 -1.156
179 HG2 ARG 24 HG2 ARG 24 7.886 32.139 0.098
180 HG3 ARG 24 HG3 ARG 24 6.295 32.020 0.852
181 HD2 ARG 24 HD2 ARG 24 6.287 29.936 -0.941
182 HD3 ARG 24 HD3 ARG 24 7.954 29.954 -0.368
183 HE ARG 24 HE ARG 24 6.177 30.141 1.818
184 HH11 ARG 24 HH11 ARG 24 7.355 27.877 -0.550
185 HH12 ARG 24 HH12 ARG 24 7.103 26.491 0.459
186 HH21 ARG 24 HH21 ARG 24 5.841 28.324 3.155
187 HH22 ARG 24 HH22 ARG 24 6.241 26.747 2.566
188 H ARG 25 H ARG 25 4.313 33.499 -3.446
189 HA ARG 25 HA ARG 25 2.935 35.574 -1.903
190 HB2 ARG 25 HB2 ARG 25 4.435 35.518 -4.471
191 HB3 ARG 25 HB3 ARG 25 3.116 36.674 -4.333
192 HG2 ARG 25 HG2 ARG 25 4.367 38.045 -3.127
193 HG3 ARG 25 HG3 ARG 25 4.754 36.761 -1.979
194 HD2 ARG 25 HD2 ARG 25 6.133 36.722 -4.606
195 HD3 ARG 25 HD3 ARG 25 6.611 37.968 -3.454
196 HE ARG 25 HE ARG 25 6.667 35.700 -1.978
197 HH11 ARG 25 HH11 ARG 25 8.082 36.617 -5.023
198 HH12 ARG 25 HH12 ARG 25 9.466 35.592 -4.838
199 HH21 ARG 25 HH21 ARG 25 8.485 34.346 -1.722
200 HH22 ARG 25 HH22 ARG 25 9.694 34.300 -2.960
Start of MODEL 3
1 H1 GLY 1 H GLY 1 3.315 -1.542 -2.188
2 HA2 GLY 1 HA2 GLY 1 1.470 -0.058 -0.460
3 HA3 GLY 1 HA3 GLY 1 2.878 0.791 -1.079
4 H ALA 2 H ALA 2 0.722 -1.568 -2.634
5 HA ALA 2 HA ALA 2 0.643 -0.177 -5.081
6 HB1 ALA 2 HB1 ALA 2 0.021 -2.664 -4.413
7 HB2 ALA 2 HB2 ALA 2 -1.604 -1.980 -4.363
8 HB3 ALA 2 HB3 ALA 2 -0.654 -1.887 -5.846
9 H TRP 3 H TRP 3 -1.217 0.121 -2.172
10 HA TRP 3 HA TRP 3 -3.380 1.578 -3.405
11 HB2 TRP 3 HB2 TRP 3 -4.182 1.901 -1.103
12 HB3 TRP 3 HB3 TRP 3 -3.795 0.211 -1.416
13 HD1 TRP 3 HD1 TRP 3 -1.963 -0.908 0.074
14 HE1 TRP 3 HE1 TRP 3 -0.584 -0.119 2.099
15 HE3 TRP 3 HE3 TRP 3 -3.024 4.089 -0.119
16 HZ2 TRP 3 HZ2 TRP 3 -0.021 2.301 3.438
17 HZ3 TRP 3 HZ3 TRP 3 -2.026 5.573 1.571
18 HH2 TRP 3 HH2 TRP 3 -0.556 4.696 3.312
19 H LYS 4 H LYS 4 -0.385 2.313 -1.761
20 HA LYS 4 HA LYS 4 -0.926 5.075 -1.318
21 HB2 LYS 4 HB2 LYS 4 0.816 3.646 -0.135
22 HB3 LYS 4 HB3 LYS 4 1.802 3.814 -1.582
23 HG2 LYS 4 HG2 LYS 4 1.114 6.409 -1.016
24 HG3 LYS 4 HG3 LYS 4 1.320 5.695 0.585
25 HD2 LYS 4 HD2 LYS 4 3.548 5.316 0.279
26 HD3 LYS 4 HD3 LYS 4 3.381 5.088 -1.463
27 HE2 LYS 4 HE2 LYS 4 2.857 7.595 -1.546
28 HE3 LYS 4 HE3 LYS 4 3.500 7.653 0.095
29 HZ1 LYS 4 HZ1 LYS 4 5.337 6.238 -1.412
30 HZ2 LYS 4 HZ2 LYS 4 5.507 7.805 -0.798
31 HZ3 LYS 4 HZ3 LYS 4 4.902 7.570 -2.360
32 H ASN 5 H ASN 5 0.225 3.223 -4.013
33 HA ASN 5 HA ASN 5 1.628 5.090 -5.485
34 HB2 ASN 5 HB2 ASN 5 0.817 2.551 -5.943
35 HB3 ASN 5 HB3 ASN 5 -0.274 3.417 -7.020
36 HD21 ASN 5 HD21 ASN 5 0.729 2.514 -8.826
37 HD22 ASN 5 HD22 ASN 5 2.277 3.052 -9.373
38 H PHE 6 H PHE 6 -1.883 4.485 -5.565
39 HA PHE 6 HA PHE 6 -2.586 6.430 -7.411
40 HB2 PHE 6 HB2 PHE 6 -4.214 4.816 -6.700
41 HB3 PHE 6 HB3 PHE 6 -4.106 5.361 -5.030
42 HD1 PHE 6 HD2 PHE 6 -4.485 7.264 -8.209
43 HD2 PHE 6 HD1 PHE 6 -6.169 6.202 -4.447
44 HE1 PHE 6 HE2 PHE 6 -6.344 8.827 -8.603
45 HE2 PHE 6 HE1 PHE 6 -8.031 7.763 -4.836
46 HZ PHE 6 HZ PHE 6 -8.119 9.079 -6.915
47 H TRP 7 H TRP 7 -2.481 6.722 -3.864
48 HA TRP 7 HA TRP 7 -3.218 9.404 -3.693
49 HB2 TRP 7 HB2 TRP 7 -1.368 7.841 -1.879
50 HB3 TRP 7 HB3 TRP 7 -2.125 9.380 -1.476
51 HD1 TRP 7 HD1 TRP 7 -2.554 6.007 -0.558
52 HE1 TRP 7 HE1 TRP 7 -4.996 5.403 -0.015
53 HE3 TRP 7 HE3 TRP 7 -4.881 9.995 -2.751
54 HZ2 TRP 7 HZ2 TRP 7 -7.569 6.475 -0.459
55 HZ3 TRP 7 HZ3 TRP 7 -7.336 10.131 -2.648
56 HH2 TRP 7 HH2 TRP 7 -8.650 8.406 -1.526
57 H SER 8 H SER 8 -0.122 7.928 -4.398
58 HA SER 8 HA SER 8 1.488 10.219 -4.034
59 HB2 SER 8 HB2 SER 8 3.215 8.924 -4.798
60 HB3 SER 8 HB3 SER 8 2.056 7.636 -4.468
61 HG SER 8 HG SER 8 2.605 7.223 -6.504
62 H SER 9 H SER 9 -0.218 8.918 -6.843
63 HA SER 9 HA SER 9 0.790 10.719 -8.751
64 HB2 SER 9 HB2 SER 9 -1.410 8.779 -8.592
65 HB3 SER 9 HB3 SER 9 -1.729 10.134 -9.675
66 HG SER 9 HG SER 9 0.746 8.820 -9.808
67 H LEU 10 H LEU 10 -2.273 10.794 -6.932
68 HA LEU 10 HA LEU 10 -3.286 13.177 -7.888
69 HB2 LEU 10 HB2 LEU 10 -3.488 12.264 -5.027
70 HB3 LEU 10 HB3 LEU 10 -4.621 13.288 -5.906
71 HG LEU 10 HG LEU 10 -4.113 10.361 -6.439
72 HD11 LEU 10 HD11 LEU 10 -5.512 11.415 -4.361
73 HD12 LEU 10 HD12 LEU 10 -5.837 9.849 -5.103
74 HD13 LEU 10 HD13 LEU 10 -6.767 11.266 -5.591
75 HD21 LEU 10 HD21 LEU 10 -5.245 12.409 -8.067
76 HD22 LEU 10 HD22 LEU 10 -6.522 11.293 -7.583
77 HD23 LEU 10 HD23 LEU 10 -5.084 10.686 -8.406
78 H ARG 11 H ARG 11 -0.903 12.645 -5.343
79 HA ARG 11 HA ARG 11 -0.746 15.174 -4.245
80 HB2 ARG 11 HB2 ARG 11 0.565 12.927 -3.759
81 HB3 ARG 11 HB3 ARG 11 1.789 13.688 -4.767
82 HG2 ARG 11 HG2 ARG 11 2.310 15.235 -3.208
83 HG3 ARG 11 HG3 ARG 11 0.655 15.348 -2.608
84 HD2 ARG 11 HD2 ARG 11 1.044 12.995 -1.666
85 HD3 ARG 11 HD3 ARG 11 2.755 13.306 -1.957
86 HE ARG 11 HE ARG 11 1.848 15.475 -0.535
87 HH11 ARG 11 HH11 ARG 11 1.985 12.030 -0.050
88 HH12 ARG 11 HH12 ARG 11 2.120 12.146 1.673
89 HH21 ARG 11 HH21 ARG 11 2.026 15.641 1.733
90 HH22 ARG 11 HH22 ARG 11 2.142 14.201 2.686
91 H LYS 12 H LYS 12 1.020 13.912 -7.063
92 HA LYS 12 HA LYS 12 2.490 16.207 -7.653
93 HB2 LYS 12 HB2 LYS 12 1.650 13.783 -9.123
94 HB3 LYS 12 HB3 LYS 12 2.087 15.164 -10.122
95 HG2 LYS 12 HG2 LYS 12 3.996 13.715 -9.778
96 HG3 LYS 12 HG3 LYS 12 4.261 15.281 -9.009
97 HD2 LYS 12 HD2 LYS 12 3.008 13.286 -7.268
98 HD3 LYS 12 HD3 LYS 12 4.632 12.853 -7.810
99 HE2 LYS 12 HE2 LYS 12 5.122 15.368 -7.142
100 HE3 LYS 12 HE3 LYS 12 3.730 15.107 -6.093
101 HZ1 LYS 12 HZ1 LYS 12 5.269 14.312 -4.694
102 HZ2 LYS 12 HZ2 LYS 12 6.405 14.022 -5.913
103 HZ3 LYS 12 HZ3 LYS 12 5.170 12.903 -5.625
104 H GLY 13 H GLY 13 -0.801 15.301 -8.540
105 HA2 GLY 13 HA2 GLY 13 -1.302 17.296 -10.439
106 HA3 GLY 13 HA3 GLY 13 -2.523 16.522 -9.439
107 H PHE 14 H PHE 14 -2.084 17.332 -6.959
108 HA PHE 14 HA PHE 14 -2.975 20.020 -6.970
109 HB2 PHE 14 HB2 PHE 14 -3.481 18.193 -5.245
110 HB3 PHE 14 HB3 PHE 14 -1.908 18.572 -4.552
111 HD1 PHE 14 HD2 PHE 14 -1.484 20.939 -3.766
112 HD2 PHE 14 HD1 PHE 14 -5.362 19.475 -4.733
113 HE1 PHE 14 HE2 PHE 14 -2.494 22.773 -2.474
114 HE2 PHE 14 HE1 PHE 14 -6.379 21.308 -3.444
115 HZ PHE 14 HZ PHE 14 -4.945 22.959 -2.311
116 H TYR 15 H TYR 15 0.148 18.531 -6.596
117 HA TYR 15 HA TYR 15 1.579 20.526 -5.316
118 HB2 TYR 15 HB2 TYR 15 2.248 18.136 -6.318
119 HB3 TYR 15 HB3 TYR 15 2.902 19.152 -7.598
120 HD1 TYR 15 HD2 TYR 15 4.313 21.235 -6.662
121 HD2 TYR 15 HD1 TYR 15 3.665 17.576 -4.591
122 HE1 TYR 15 HE2 TYR 15 6.325 21.652 -5.309
123 HE2 TYR 15 HE1 TYR 15 5.674 17.982 -3.231
124 HH TYR 15 HH TYR 15 7.253 20.988 -3.140
125 H ASP 16 H ASP 16 0.477 20.339 -8.630
126 HA ASP 16 HA ASP 16 1.756 22.934 -9.183
127 HB2 ASP 16 HB2 ASP 16 0.973 20.651 -10.979
128 HB3 ASP 16 HB3 ASP 16 1.216 22.272 -11.624
129 H GLY 17 H GLY 17 -0.781 22.455 -7.741
130 HA2 GLY 17 HA2 GLY 17 -2.654 23.738 -9.630
131 HA3 GLY 17 HA3 GLY 17 -3.147 22.762 -8.253
132 H GLU 18 H GLU 18 -1.879 23.713 -6.147
133 HA GLU 18 HA GLU 18 -3.005 26.374 -5.864
134 HB2 GLU 18 HB2 GLU 18 -3.249 24.453 -4.174
135 HB3 GLU 18 HB3 GLU 18 -1.592 24.815 -3.712
136 HG2 GLU 18 HG2 GLU 18 -2.897 25.982 -2.179
137 HG3 GLU 18 HG3 GLU 18 -2.389 27.204 -3.344
138 H ALA 19 H ALA 19 0.146 24.785 -5.560
139 HA ALA 19 HA ALA 19 1.594 27.078 -4.776
140 HB1 ALA 19 HB1 ALA 19 3.281 25.639 -4.607
141 HB2 ALA 19 HB2 ALA 19 2.156 24.386 -5.132
142 HB3 ALA 19 HB3 ALA 19 3.176 25.206 -6.313
143 H GLY 20 H GLY 20 0.432 25.977 -7.847
144 HA2 GLY 20 HA2 GLY 20 2.222 27.271 -9.573
145 HA3 GLY 20 HA3 GLY 20 0.552 26.880 -9.952
146 H ARG 21 H ARG 21 -0.230 28.568 -7.530
147 HA ARG 21 HA ARG 21 -0.177 31.125 -8.971
148 HB2 ARG 21 HB2 ARG 21 -2.390 30.120 -8.414
149 HB3 ARG 21 HB3 ARG 21 -1.988 30.266 -6.709
150 HG2 ARG 21 HG2 ARG 21 -2.458 32.454 -6.656
151 HG3 ARG 21 HG3 ARG 21 -1.718 32.753 -8.231
152 HD2 ARG 21 HD2 ARG 21 -4.418 31.481 -7.798
153 HD3 ARG 21 HD3 ARG 21 -4.155 33.176 -8.204
154 HE ARG 21 HE ARG 21 -2.860 31.774 -10.164
155 HH11 ARG 21 HH11 ARG 21 -6.111 31.886 -8.926
156 HH12 ARG 21 HH12 ARG 21 -6.842 31.472 -10.441
157 HH21 ARG 21 HH21 ARG 21 -3.810 31.228 -12.165
158 HH22 ARG 21 HH22 ARG 21 -5.532 31.097 -12.283
159 H ALA 22 H ALA 22 0.346 29.701 -5.775
160 HA ALA 22 HA ALA 22 2.241 31.797 -5.143
161 HB1 ALA 22 HB1 ALA 22 1.162 32.807 -3.405
162 HB2 ALA 22 HB2 ALA 22 -0.224 32.428 -4.429
163 HB3 ALA 22 HB3 ALA 22 0.167 31.394 -3.054
164 H ILE 23 H ILE 23 3.938 30.838 -4.254
165 HA ILE 23 HA ILE 23 3.597 28.214 -3.002
166 HB ILE 23 HB ILE 23 6.184 29.591 -3.721
167 HG12 ILE 23 HG12 ILE 23 5.956 27.656 -5.574
168 HG13 ILE 23 HG13 ILE 23 4.252 28.035 -5.353
169 HG21 ILE 23 HG21 ILE 23 6.125 27.699 -2.011
170 HG22 ILE 23 HG22 ILE 23 5.700 26.651 -3.363
171 HG23 ILE 23 HG23 ILE 23 7.233 27.523 -3.372
172 HD11 ILE 23 HD11 ILE 23 5.807 29.278 -7.120
173 HD12 ILE 23 HD12 ILE 23 4.440 30.060 -6.326
174 HD13 ILE 23 HD13 ILE 23 6.077 30.323 -5.725
175 H ARG 24 H ARG 24 5.335 31.267 -2.390
176 HA ARG 24 HA ARG 24 4.870 30.881 0.476
177 HB2 ARG 24 HB2 ARG 24 7.174 31.485 1.015
178 HB3 ARG 24 HB3 ARG 24 7.128 30.033 0.024
179 HG2 ARG 24 HG2 ARG 24 7.468 32.664 -1.320
180 HG3 ARG 24 HG3 ARG 24 8.839 31.960 -0.459
181 HD2 ARG 24 HD2 ARG 24 8.209 29.811 -1.798
182 HD3 ARG 24 HD3 ARG 24 7.381 30.947 -2.862
183 HE ARG 24 HE ARG 24 9.415 31.572 -3.679
184 HH11 ARG 24 HH11 ARG 24 9.880 30.078 -0.569
185 HH12 ARG 24 HH12 ARG 24 11.609 30.125 -0.659
186 HH21 ARG 24 HH21 ARG 24 11.691 31.640 -3.810
187 HH22 ARG 24 HH22 ARG 24 12.638 31.014 -2.503
188 H ARG 25 H ARG 25 3.717 32.625 -1.589
189 HA ARG 25 HA ARG 25 4.582 35.252 -0.575
190 HB2 ARG 25 HB2 ARG 25 3.860 34.290 -3.228
191 HB3 ARG 25 HB3 ARG 25 2.943 35.718 -2.767
192 HG2 ARG 25 HG2 ARG 25 5.161 36.783 -2.170
193 HG3 ARG 25 HG3 ARG 25 5.921 35.419 -2.993
194 HD2 ARG 25 HD2 ARG 25 3.782 36.704 -4.524
195 HD3 ARG 25 HD3 ARG 25 5.154 37.757 -4.183
196 HE ARG 25 HE ARG 25 5.945 35.193 -5.178
197 HH11 ARG 25 HH11 ARG 25 4.827 38.362 -6.087
198 HH12 ARG 25 HH12 ARG 25 5.528 38.298 -7.670
199 HH21 ARG 25 HH21 ARG 25 6.872 35.096 -7.260
200 HH22 ARG 25 HH22 ARG 25 6.690 36.440 -8.336
Start of MODEL 4
1 H1 GLY 1 H GLY 1 3.259 -0.978 -0.109
2 HA2 GLY 1 HA2 GLY 1 1.065 -0.280 0.099
3 HA3 GLY 1 HA3 GLY 1 1.805 1.308 -0.043
4 H ALA 2 H ALA 2 0.489 -1.366 -1.964
5 HA ALA 2 HA ALA 2 0.381 -0.153 -4.444
6 HB1 ALA 2 HB1 ALA 2 -0.255 -2.308 -4.657
7 HB2 ALA 2 HB2 ALA 2 -1.108 -2.324 -3.113
8 HB3 ALA 2 HB3 ALA 2 -1.871 -1.612 -4.534
9 H TRP 3 H TRP 3 -1.619 0.380 -1.641
10 HA TRP 3 HA TRP 3 -3.679 1.803 -3.044
11 HB2 TRP 3 HB2 TRP 3 -4.537 2.345 -0.819
12 HB3 TRP 3 HB3 TRP 3 -4.132 0.634 -0.924
13 HD1 TRP 3 HD1 TRP 3 -2.213 -0.272 0.644
14 HE1 TRP 3 HE1 TRP 3 -0.940 0.751 2.633
15 HE3 TRP 3 HE3 TRP 3 -3.586 4.618 0.058
16 HZ2 TRP 3 HZ2 TRP 3 -0.568 3.294 3.800
17 HZ3 TRP 3 HZ3 TRP 3 -2.728 6.283 1.654
18 HH2 TRP 3 HH2 TRP 3 -1.251 5.632 3.486
19 H LYS 4 H LYS 4 -0.737 2.641 -1.323
20 HA LYS 4 HA LYS 4 -1.208 5.439 -1.208
21 HB2 LYS 4 HB2 LYS 4 0.438 4.164 0.204
22 HB3 LYS 4 HB3 LYS 4 1.466 4.034 -1.217
23 HG2 LYS 4 HG2 LYS 4 1.633 6.466 -1.325
24 HG3 LYS 4 HG3 LYS 4 0.592 6.602 0.094
25 HD2 LYS 4 HD2 LYS 4 2.458 6.551 1.317
26 HD3 LYS 4 HD3 LYS 4 2.581 4.843 0.887
27 HE2 LYS 4 HE2 LYS 4 4.129 5.246 -0.789
28 HE3 LYS 4 HE3 LYS 4 3.657 6.936 -0.958
29 HZ1 LYS 4 HZ1 LYS 4 5.204 7.526 0.492
30 HZ2 LYS 4 HZ2 LYS 4 5.770 5.932 0.507
31 HZ3 LYS 4 HZ3 LYS 4 4.633 6.436 1.653
32 H ASN 5 H ASN 5 -0.024 3.300 -3.663
33 HA ASN 5 HA ASN 5 1.477 4.976 -5.264
34 HB2 ASN 5 HB2 ASN 5 0.172 2.447 -5.544
35 HB3 ASN 5 HB3 ASN 5 -0.150 3.404 -6.987
36 HD21 ASN 5 HD21 ASN 5 1.533 3.976 -8.333
37 HD22 ASN 5 HD22 ASN 5 3.099 3.255 -8.220
38 H PHE 6 H PHE 6 -2.038 4.413 -5.470
39 HA PHE 6 HA PHE 6 -2.627 6.187 -7.504
40 HB2 PHE 6 HB2 PHE 6 -4.320 4.689 -6.699
41 HB3 PHE 6 HB3 PHE 6 -4.259 5.396 -5.088
42 HD1 PHE 6 HD1 PHE 6 -4.454 7.007 -8.438
43 HD2 PHE 6 HD2 PHE 6 -6.340 6.307 -4.687
44 HE1 PHE 6 HE1 PHE 6 -6.257 8.563 -9.058
45 HE2 PHE 6 HE2 PHE 6 -8.147 7.860 -5.301
46 HZ PHE 6 HZ PHE 6 -8.107 8.990 -7.489
47 H TRP 7 H TRP 7 -2.600 6.832 -4.004
48 HA TRP 7 HA TRP 7 -3.278 9.545 -4.153
49 HB2 TRP 7 HB2 TRP 7 -1.586 8.138 -2.075
50 HB3 TRP 7 HB3 TRP 7 -2.342 9.717 -1.881
51 HD1 TRP 7 HD1 TRP 7 -2.883 6.439 -0.682
52 HE1 TRP 7 HE1 TRP 7 -5.364 5.926 -0.229
53 HE3 TRP 7 HE3 TRP 7 -5.001 10.252 -3.349
54 HZ2 TRP 7 HZ2 TRP 7 -7.885 6.995 -0.913
55 HZ3 TRP 7 HZ3 TRP 7 -7.454 10.436 -3.399
56 HH2 TRP 7 HH2 TRP 7 -8.865 8.840 -2.206
57 H SER 8 H SER 8 -0.213 7.896 -4.521
58 HA SER 8 HA SER 8 1.505 10.099 -4.254
59 HB2 SER 8 HB2 SER 8 3.171 8.676 -4.923
60 HB3 SER 8 HB3 SER 8 1.931 7.474 -4.567
61 HG SER 8 HG SER 8 2.869 7.141 -6.623
62 H SER 9 H SER 9 -0.193 8.786 -7.064
63 HA SER 9 HA SER 9 0.974 10.497 -8.984
64 HB2 SER 9 HB2 SER 9 -1.457 8.760 -8.891
65 HB3 SER 9 HB3 SER 9 -1.309 9.933 -10.200
66 HG SER 9 HG SER 9 0.231 7.668 -9.647
67 H LEU 10 H LEU 10 -2.187 10.662 -7.345
68 HA LEU 10 HA LEU 10 -3.092 13.043 -8.423
69 HB2 LEU 10 HB2 LEU 10 -3.515 12.155 -5.577
70 HB3 LEU 10 HB3 LEU 10 -4.552 13.219 -6.524
71 HG LEU 10 HG LEU 10 -4.113 10.273 -7.012
72 HD11 LEU 10 HD11 LEU 10 -6.802 10.822 -6.533
73 HD12 LEU 10 HD12 LEU 10 -5.921 11.731 -5.306
74 HD13 LEU 10 HD13 LEU 10 -5.675 9.992 -5.461
75 HD21 LEU 10 HD21 LEU 10 -6.229 10.827 -8.496
76 HD22 LEU 10 HD22 LEU 10 -4.589 10.998 -9.122
77 HD23 LEU 10 HD23 LEU 10 -5.470 12.418 -8.558
78 H ARG 11 H ARG 11 -1.004 12.530 -5.610
79 HA ARG 11 HA ARG 11 -0.862 15.104 -4.623
80 HB2 ARG 11 HB2 ARG 11 1.055 12.810 -4.676
81 HB3 ARG 11 HB3 ARG 11 1.614 14.372 -4.092
82 HG2 ARG 11 HG2 ARG 11 0.196 14.343 -2.263
83 HG3 ARG 11 HG3 ARG 11 -0.889 13.161 -2.999
84 HD2 ARG 11 HD2 ARG 11 0.183 11.551 -1.910
85 HD3 ARG 11 HD3 ARG 11 1.636 11.934 -2.833
86 HE ARG 11 HE ARG 11 1.281 13.670 -0.592
87 HH11 ARG 11 HH11 ARG 11 2.418 10.528 -1.568
88 HH12 ARG 11 HH12 ARG 11 3.521 10.371 -0.241
89 HH21 ARG 11 HH21 ARG 11 2.730 13.476 1.159
90 HH22 ARG 11 HH22 ARG 11 3.697 12.048 1.310
91 H LYS 12 H LYS 12 1.294 13.630 -7.050
92 HA LYS 12 HA LYS 12 2.826 15.896 -7.591
93 HB2 LYS 12 HB2 LYS 12 2.289 13.322 -8.913
94 HB3 LYS 12 HB3 LYS 12 2.788 14.610 -10.001
95 HG2 LYS 12 HG2 LYS 12 4.686 13.288 -9.235
96 HG3 LYS 12 HG3 LYS 12 4.804 14.964 -8.694
97 HD2 LYS 12 HD2 LYS 12 3.433 13.144 -6.834
98 HD3 LYS 12 HD3 LYS 12 5.147 12.804 -7.088
99 HE2 LYS 12 HE2 LYS 12 4.922 15.592 -6.799
100 HE3 LYS 12 HE3 LYS 12 3.914 14.881 -5.539
101 HZ1 LYS 12 HZ1 LYS 12 5.719 14.357 -4.397
102 HZ2 LYS 12 HZ2 LYS 12 6.675 15.141 -5.550
103 HZ3 LYS 12 HZ3 LYS 12 6.359 13.486 -5.698
104 H GLY 13 H GLY 13 -0.374 15.021 -8.634
105 HA2 GLY 13 HA2 GLY 13 -0.514 16.842 -10.834
106 HA3 GLY 13 HA3 GLY 13 -1.873 16.043 -10.057
107 H PHE 14 H PHE 14 -1.917 16.945 -7.558
108 HA PHE 14 HA PHE 14 -2.946 19.561 -7.819
109 HB2 PHE 14 HB2 PHE 14 -3.692 17.880 -6.123
110 HB3 PHE 14 HB3 PHE 14 -2.180 18.143 -5.261
111 HD1 PHE 14 HD1 PHE 14 -1.707 20.384 -4.278
112 HD2 PHE 14 HD2 PHE 14 -5.509 19.361 -5.894
113 HE1 PHE 14 HE1 PHE 14 -2.726 22.266 -3.063
114 HE2 PHE 14 HE2 PHE 14 -6.534 21.241 -4.683
115 HZ PHE 14 HZ PHE 14 -5.142 22.697 -3.266
116 H TYR 15 H TYR 15 0.192 18.334 -7.014
117 HA TYR 15 HA TYR 15 1.273 20.487 -5.612
118 HB2 TYR 15 HB2 TYR 15 2.233 18.095 -6.393
119 HB3 TYR 15 HB3 TYR 15 3.038 19.126 -7.569
120 HD1 TYR 15 HD2 TYR 15 4.103 21.335 -6.448
121 HD2 TYR 15 HD1 TYR 15 3.377 17.651 -4.446
122 HE1 TYR 15 HE2 TYR 15 5.811 21.914 -4.776
123 HE2 TYR 15 HE1 TYR 15 5.083 18.220 -2.768
124 HH TYR 15 HH TYR 15 6.099 20.461 -1.864
125 H ASP 16 H ASP 16 0.658 20.065 -9.022
126 HA ASP 16 HA ASP 16 1.946 22.646 -9.590
127 HB2 ASP 16 HB2 ASP 16 2.214 20.282 -10.921
128 HB3 ASP 16 HB3 ASP 16 0.934 21.052 -11.854
129 H GLY 17 H GLY 17 -0.557 22.561 -8.243
130 HA2 GLY 17 HA2 GLY 17 -2.256 23.816 -10.306
131 HA3 GLY 17 HA3 GLY 17 -2.937 22.733 -9.101
132 H GLU 18 H GLU 18 -1.915 23.471 -6.772
133 HA GLU 18 HA GLU 18 -3.048 26.122 -6.398
134 HB2 GLU 18 HB2 GLU 18 -3.406 23.947 -4.941
135 HB3 GLU 18 HB3 GLU 18 -1.941 24.503 -4.145
136 HG2 GLU 18 HG2 GLU 18 -3.289 26.782 -4.080
137 HG3 GLU 18 HG3 GLU 18 -4.660 25.676 -4.155
138 H ALA 19 H ALA 19 -0.058 24.430 -5.439
139 HA ALA 19 HA ALA 19 1.278 26.706 -4.476
140 HB1 ALA 19 HB1 ALA 19 2.477 24.965 -3.749
141 HB2 ALA 19 HB2 ALA 19 1.962 23.934 -5.085
142 HB3 ALA 19 HB3 ALA 19 3.301 25.060 -5.306
143 H GLY 20 H GLY 20 0.747 25.532 -7.690
144 HA2 GLY 20 HA2 GLY 20 2.905 26.743 -9.024
145 HA3 GLY 20 HA3 GLY 20 1.357 26.338 -9.750
146 H ARG 21 H ARG 21 -0.206 28.029 -8.001
147 HA ARG 21 HA ARG 21 -0.023 30.450 -9.479
148 HB2 ARG 21 HB2 ARG 21 -2.166 29.587 -8.664
149 HB3 ARG 21 HB3 ARG 21 -1.629 29.797 -7.003
150 HG2 ARG 21 HG2 ARG 21 -1.632 32.163 -7.212
151 HG3 ARG 21 HG3 ARG 21 -1.871 32.067 -8.958
152 HD2 ARG 21 HD2 ARG 21 -3.949 32.645 -7.826
153 HD3 ARG 21 HD3 ARG 21 -4.073 31.067 -8.602
154 HE ARG 21 HE ARG 21 -3.306 30.524 -6.034
155 HH11 ARG 21 HH11 ARG 21 -5.951 32.231 -7.520
156 HH12 ARG 21 HH12 ARG 21 -7.068 31.876 -6.244
157 HH21 ARG 21 HH21 ARG 21 -4.767 30.049 -4.348
158 HH22 ARG 21 HH22 ARG 21 -6.393 30.636 -4.440
159 H ALA 22 H ALA 22 0.938 29.477 -6.235
160 HA ALA 22 HA ALA 22 2.867 31.563 -6.058
161 HB1 ALA 22 HB1 ALA 22 0.270 31.894 -4.617
162 HB2 ALA 22 HB2 ALA 22 1.761 32.515 -3.908
163 HB3 ALA 22 HB3 ALA 22 1.229 33.090 -5.489
164 H ILE 23 H ILE 23 4.486 30.822 -4.850
165 HA ILE 23 HA ILE 23 3.983 28.528 -3.102
166 HB ILE 23 HB ILE 23 6.611 29.625 -4.108
167 HG12 ILE 23 HG12 ILE 23 5.168 27.113 -4.968
168 HG13 ILE 23 HG13 ILE 23 5.068 28.636 -5.844
169 HG21 ILE 23 HG21 ILE 23 6.902 26.961 -3.344
170 HG22 ILE 23 HG22 ILE 23 7.519 28.383 -2.504
171 HG23 ILE 23 HG23 ILE 23 5.953 27.707 -2.059
172 HD11 ILE 23 HD11 ILE 23 7.647 28.493 -5.897
173 HD12 ILE 23 HD12 ILE 23 7.387 26.787 -5.528
174 HD13 ILE 23 HD13 ILE 23 6.700 27.488 -6.993
175 H ARG 24 H ARG 24 6.098 31.405 -3.041
176 HA ARG 24 HA ARG 24 5.662 31.533 -0.129
177 HB2 ARG 24 HB2 ARG 24 7.881 32.801 -0.141
178 HB3 ARG 24 HB3 ARG 24 7.949 31.068 -0.432
179 HG2 ARG 24 HG2 ARG 24 7.750 32.841 -2.797
180 HG3 ARG 24 HG3 ARG 24 9.279 32.814 -1.915
181 HD2 ARG 24 HD2 ARG 24 8.541 30.140 -2.145
182 HD3 ARG 24 HD3 ARG 24 8.144 30.851 -3.709
183 HE ARG 24 HE ARG 24 10.742 30.308 -2.700
184 HH11 ARG 24 HH11 ARG 24 8.939 32.565 -4.643
185 HH12 ARG 24 HH12 ARG 24 10.311 33.051 -5.584
186 HH21 ARG 24 HH21 ARG 24 12.555 30.939 -3.932
187 HH22 ARG 24 HH22 ARG 24 12.367 32.125 -5.179
188 H ARG 25 H ARG 25 5.870 33.349 -3.126
189 HA ARG 25 HA ARG 25 5.292 35.865 -1.800
190 HB2 ARG 25 HB2 ARG 25 6.729 35.355 -3.992
191 HB3 ARG 25 HB3 ARG 25 5.167 35.606 -4.761
192 HG2 ARG 25 HG2 ARG 25 6.323 37.591 -2.832
193 HG3 ARG 25 HG3 ARG 25 6.710 37.615 -4.554
194 HD2 ARG 25 HD2 ARG 25 4.777 38.601 -5.040
195 HD3 ARG 25 HD3 ARG 25 3.870 37.375 -4.156
196 HE ARG 25 HE ARG 25 5.099 39.286 -2.423
197 HH11 ARG 25 HH11 ARG 25 2.355 38.704 -4.485
198 HH12 ARG 25 HH12 ARG 25 1.322 39.810 -3.641
199 HH21 ARG 25 HH21 ARG 25 3.749 40.745 -1.304
200 HH22 ARG 25 HH22 ARG 25 2.116 40.971 -1.833
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.589 -1.670 -1.072
2 HA2 GLY 1 HA2 GLY 1 1.394 0.478 0.293
3 HA3 GLY 1 HA3 GLY 1 2.934 1.022 -0.356
4 H ALA 2 H ALA 2 0.823 -1.354 -1.865
5 HA ALA 2 HA ALA 2 0.917 -0.104 -4.383
6 HB1 ALA 2 HB1 ALA 2 -1.413 -1.744 -4.176
7 HB2 ALA 2 HB2 ALA 2 0.104 -2.068 -5.016
8 HB3 ALA 2 HB3 ALA 2 -0.078 -2.517 -3.321
9 H TRP 3 H TRP 3 -1.232 0.266 -1.671
10 HA TRP 3 HA TRP 3 -3.271 1.652 -3.160
11 HB2 TRP 3 HB2 TRP 3 -4.339 2.002 -1.005
12 HB3 TRP 3 HB3 TRP 3 -3.795 0.331 -1.130
13 HD1 TRP 3 HD1 TRP 3 -1.911 -0.476 0.544
14 HE1 TRP 3 HE1 TRP 3 -0.907 0.557 2.677
15 HE3 TRP 3 HE3 TRP 3 -3.698 4.289 0.056
16 HZ2 TRP 3 HZ2 TRP 3 -0.877 3.060 3.980
17 HZ3 TRP 3 HZ3 TRP 3 -3.136 5.942 1.790
18 HH2 TRP 3 HH2 TRP 3 -1.755 5.338 3.711
19 H LYS 4 H LYS 4 -0.486 2.503 -1.212
20 HA LYS 4 HA LYS 4 -1.087 5.263 -0.939
21 HB2 LYS 4 HB2 LYS 4 0.507 4.126 0.532
22 HB3 LYS 4 HB3 LYS 4 1.575 3.832 -0.834
23 HG2 LYS 4 HG2 LYS 4 0.946 6.634 -0.611
24 HG3 LYS 4 HG3 LYS 4 1.609 6.008 0.901
25 HD2 LYS 4 HD2 LYS 4 3.644 5.571 -0.015
26 HD3 LYS 4 HD3 LYS 4 2.969 5.190 -1.601
27 HE2 LYS 4 HE2 LYS 4 2.520 7.621 -1.915
28 HE3 LYS 4 HE3 LYS 4 3.371 7.927 -0.402
29 HZ1 LYS 4 HZ1 LYS 4 5.342 6.867 -1.391
30 HZ2 LYS 4 HZ2 LYS 4 4.859 8.252 -2.234
31 HZ3 LYS 4 HZ3 LYS 4 4.516 6.718 -2.860
32 H ASN 5 H ASN 5 0.363 3.351 -3.453
33 HA ASN 5 HA ASN 5 1.809 5.255 -4.856
34 HB2 ASN 5 HB2 ASN 5 1.977 2.995 -5.560
35 HB3 ASN 5 HB3 ASN 5 0.236 2.858 -5.791
36 HD21 ASN 5 HD21 ASN 5 3.204 4.163 -7.071
37 HD22 ASN 5 HD22 ASN 5 2.615 4.458 -8.668
38 H PHE 6 H PHE 6 -1.622 4.383 -5.255
39 HA PHE 6 HA PHE 6 -2.288 6.142 -7.276
40 HB2 PHE 6 HB2 PHE 6 -3.728 4.341 -6.127
41 HB3 PHE 6 HB3 PHE 6 -4.146 5.600 -4.970
42 HD1 PHE 6 HD2 PHE 6 -4.889 7.888 -6.135
43 HD2 PHE 6 HD1 PHE 6 -5.149 4.019 -7.889
44 HE1 PHE 6 HE2 PHE 6 -6.648 8.698 -7.652
45 HE2 PHE 6 HE1 PHE 6 -6.908 4.823 -9.410
46 HZ PHE 6 HZ PHE 6 -7.661 7.164 -9.292
47 H TRP 7 H TRP 7 -2.248 6.726 -3.779
48 HA TRP 7 HA TRP 7 -3.254 9.338 -3.821
49 HB2 TRP 7 HB2 TRP 7 -1.399 7.937 -1.895
50 HB3 TRP 7 HB3 TRP 7 -2.002 9.569 -1.621
51 HD1 TRP 7 HD1 TRP 7 -2.707 6.338 -0.397
52 HE1 TRP 7 HE1 TRP 7 -5.176 6.018 0.256
53 HE3 TRP 7 HE3 TRP 7 -4.726 10.332 -2.870
54 HZ2 TRP 7 HZ2 TRP 7 -7.652 7.290 -0.215
55 HZ3 TRP 7 HZ3 TRP 7 -7.152 10.709 -2.718
56 HH2 TRP 7 HH2 TRP 7 -8.583 9.218 -1.418
57 H SER 8 H SER 8 0.020 8.105 -4.237
58 HA SER 8 HA SER 8 1.435 10.499 -4.069
59 HB2 SER 8 HB2 SER 8 3.232 9.294 -4.800
60 HB3 SER 8 HB3 SER 8 2.155 7.936 -4.473
61 HG SER 8 HG SER 8 2.549 7.497 -6.499
62 H SER 9 H SER 9 -0.173 8.996 -6.843
63 HA SER 9 HA SER 9 0.672 10.793 -8.812
64 HB2 SER 9 HB2 SER 9 -1.091 8.595 -8.658
65 HB3 SER 9 HB3 SER 9 -2.030 9.933 -9.321
66 HG SER 9 HG SER 9 -0.167 10.211 -10.790
67 H LEU 10 H LEU 10 -2.378 10.785 -6.965
68 HA LEU 10 HA LEU 10 -3.460 13.129 -7.966
69 HB2 LEU 10 HB2 LEU 10 -3.699 12.235 -5.103
70 HB3 LEU 10 HB3 LEU 10 -4.855 13.186 -6.034
71 HG LEU 10 HG LEU 10 -4.214 10.259 -6.379
72 HD11 LEU 10 HD11 LEU 10 -6.902 11.423 -5.797
73 HD12 LEU 10 HD12 LEU 10 -5.746 11.175 -4.489
74 HD13 LEU 10 HD13 LEU 10 -6.281 9.806 -5.464
75 HD21 LEU 10 HD21 LEU 10 -5.518 12.213 -8.164
76 HD22 LEU 10 HD22 LEU 10 -6.360 10.679 -7.944
77 HD23 LEU 10 HD23 LEU 10 -4.700 10.697 -8.540
78 H ARG 11 H ARG 11 -1.217 12.687 -5.261
79 HA ARG 11 HA ARG 11 -1.155 15.280 -4.284
80 HB2 ARG 11 HB2 ARG 11 0.600 12.934 -4.182
81 HB3 ARG 11 HB3 ARG 11 1.455 14.462 -4.017
82 HG2 ARG 11 HG2 ARG 11 -0.365 15.004 -2.254
83 HG3 ARG 11 HG3 ARG 11 -0.623 13.258 -2.244
84 HD2 ARG 11 HD2 ARG 11 1.603 12.841 -1.553
85 HD3 ARG 11 HD3 ARG 11 2.090 14.504 -1.880
86 HE ARG 11 HE ARG 11 0.130 14.706 0.019
87 HH11 ARG 11 HH11 ARG 11 3.184 13.054 -0.230
88 HH12 ARG 11 HH12 ARG 11 3.509 13.124 1.470
89 HH21 ARG 11 HH21 ARG 11 0.546 14.804 2.259
90 HH22 ARG 11 HH22 ARG 11 2.007 14.119 2.885
91 H LYS 12 H LYS 12 0.975 13.837 -6.750
92 HA LYS 12 HA LYS 12 2.461 16.114 -7.343
93 HB2 LYS 12 HB2 LYS 12 1.874 13.551 -8.682
94 HB3 LYS 12 HB3 LYS 12 2.373 14.854 -9.753
95 HG2 LYS 12 HG2 LYS 12 4.260 13.480 -9.026
96 HG3 LYS 12 HG3 LYS 12 4.416 15.155 -8.491
97 HD2 LYS 12 HD2 LYS 12 3.046 13.373 -6.598
98 HD3 LYS 12 HD3 LYS 12 4.743 12.983 -6.889
99 HE2 LYS 12 HE2 LYS 12 4.541 15.794 -6.596
100 HE3 LYS 12 HE3 LYS 12 3.631 15.055 -5.279
101 HZ1 LYS 12 HZ1 LYS 12 5.558 14.712 -4.272
102 HZ2 LYS 12 HZ2 LYS 12 6.435 15.242 -5.617
103 HZ3 LYS 12 HZ3 LYS 12 5.979 13.617 -5.491
104 H GLY 13 H GLY 13 -0.721 15.125 -8.440
105 HA2 GLY 13 HA2 GLY 13 -0.984 16.935 -10.588
106 HA3 GLY 13 HA3 GLY 13 -2.310 16.199 -9.700
107 H PHE 14 H PHE 14 -2.273 17.187 -7.270
108 HA PHE 14 HA PHE 14 -3.185 19.842 -7.587
109 HB2 PHE 14 HB2 PHE 14 -4.045 18.315 -5.849
110 HB3 PHE 14 HB3 PHE 14 -2.483 18.369 -5.039
111 HD1 PHE 14 HD1 PHE 14 -1.719 20.455 -3.966
112 HD2 PHE 14 HD2 PHE 14 -5.625 20.068 -5.610
113 HE1 PHE 14 HE1 PHE 14 -2.448 22.428 -2.689
114 HE2 PHE 14 HE2 PHE 14 -6.361 22.040 -4.337
115 HZ PHE 14 HZ PHE 14 -4.771 23.224 -2.875
116 H TYR 15 H TYR 15 -0.100 18.485 -6.786
117 HA TYR 15 HA TYR 15 1.120 20.575 -5.432
118 HB2 TYR 15 HB2 TYR 15 1.958 18.163 -6.271
119 HB3 TYR 15 HB3 TYR 15 2.750 19.171 -7.477
120 HD1 TYR 15 HD2 TYR 15 4.090 21.217 -6.518
121 HD2 TYR 15 HD1 TYR 15 3.029 17.773 -4.256
122 HE1 TYR 15 HE2 TYR 15 5.893 21.717 -4.922
123 HE2 TYR 15 HE1 TYR 15 4.828 18.265 -2.652
124 HH TYR 15 HH TYR 15 7.310 19.969 -3.139
125 H ASP 16 H ASP 16 0.307 20.269 -8.801
126 HA ASP 16 HA ASP 16 1.700 22.793 -9.386
127 HB2 ASP 16 HB2 ASP 16 0.827 20.500 -11.127
128 HB3 ASP 16 HB3 ASP 16 1.177 22.082 -11.817
129 H GLY 17 H GLY 17 -0.913 22.467 -8.004
130 HA2 GLY 17 HA2 GLY 17 -2.645 23.831 -9.970
131 HA3 GLY 17 HA3 GLY 17 -3.240 22.895 -8.606
132 H GLU 18 H GLU 18 -2.013 23.790 -6.458
133 HA GLU 18 HA GLU 18 -2.947 26.543 -6.272
134 HB2 GLU 18 HB2 GLU 18 -3.400 24.547 -4.606
135 HB3 GLU 18 HB3 GLU 18 -1.850 25.037 -3.936
136 HG2 GLU 18 HG2 GLU 18 -4.394 26.610 -4.100
137 HG3 GLU 18 HG3 GLU 18 -3.465 26.162 -2.671
138 H ALA 19 H ALA 19 -0.026 24.676 -5.468
139 HA ALA 19 HA ALA 19 1.532 26.917 -4.724
140 HB1 ALA 19 HB1 ALA 19 1.858 24.285 -4.416
141 HB2 ALA 19 HB2 ALA 19 2.905 24.534 -5.813
142 HB3 ALA 19 HB3 ALA 19 3.195 25.432 -4.323
143 H GLY 20 H GLY 20 0.708 25.524 -7.785
144 HA2 GLY 20 HA2 GLY 20 2.855 26.402 -9.356
145 HA3 GLY 20 HA3 GLY 20 1.219 26.129 -9.938
146 H ARG 21 H ARG 21 0.328 28.196 -7.861
147 HA ARG 21 HA ARG 21 0.589 30.464 -9.650
148 HB2 ARG 21 HB2 ARG 21 -1.523 29.606 -8.288
149 HB3 ARG 21 HB3 ARG 21 -0.852 30.656 -7.048
150 HG2 ARG 21 HG2 ARG 21 -0.763 32.357 -9.088
151 HG3 ARG 21 HG3 ARG 21 -2.089 31.335 -9.647
152 HD2 ARG 21 HD2 ARG 21 -2.178 32.205 -6.822
153 HD3 ARG 21 HD3 ARG 21 -2.438 33.452 -8.040
154 HE ARG 21 HE ARG 21 -4.215 31.295 -7.356
155 HH11 ARG 21 HH11 ARG 21 -3.291 33.589 -9.806
156 HH12 ARG 21 HH12 ARG 21 -4.832 33.562 -10.597
157 HH21 ARG 21 HH21 ARG 21 -6.248 31.250 -8.389
158 HH22 ARG 21 HH22 ARG 21 -6.514 32.232 -9.790
159 H ALA 22 H ALA 22 1.400 29.637 -6.301
160 HA ALA 22 HA ALA 22 3.599 31.505 -6.342
161 HB1 ALA 22 HB1 ALA 22 2.745 33.174 -5.148
162 HB2 ALA 22 HB2 ALA 22 1.158 32.448 -5.407
163 HB3 ALA 22 HB3 ALA 22 2.077 32.063 -3.951
164 H ILE 23 H ILE 23 5.240 30.735 -5.163
165 HA ILE 23 HA ILE 23 4.678 28.497 -3.339
166 HB ILE 23 HB ILE 23 7.318 29.208 -4.619
167 HG12 ILE 23 HG12 ILE 23 5.349 27.048 -5.403
168 HG13 ILE 23 HG13 ILE 23 5.594 28.552 -6.285
169 HG21 ILE 23 HG21 ILE 23 6.605 27.453 -2.499
170 HG22 ILE 23 HG22 ILE 23 7.117 26.483 -3.879
171 HG23 ILE 23 HG23 ILE 23 8.190 27.720 -3.225
172 HD11 ILE 23 HD11 ILE 23 7.312 27.696 -7.383
173 HD12 ILE 23 HD12 ILE 23 8.092 27.187 -5.885
174 HD13 ILE 23 HD13 ILE 23 6.911 26.135 -6.666
175 H ARG 24 H ARG 24 6.773 31.354 -3.684
176 HA ARG 24 HA ARG 24 6.772 31.596 -0.754
177 HB2 ARG 24 HB2 ARG 24 9.140 32.429 -0.930
178 HB3 ARG 24 HB3 ARG 24 8.929 30.715 -1.264
179 HG2 ARG 24 HG2 ARG 24 8.820 32.530 -3.590
180 HG3 ARG 24 HG3 ARG 24 10.386 32.343 -2.799
181 HD2 ARG 24 HD2 ARG 24 10.523 30.098 -3.303
182 HD3 ARG 24 HD3 ARG 24 8.774 29.917 -3.442
183 HE ARG 24 HE ARG 24 9.546 31.602 -5.490
184 HH11 ARG 24 HH11 ARG 24 10.204 28.334 -4.485
185 HH12 ARG 24 HH12 ARG 24 10.488 27.758 -6.094
186 HH21 ARG 24 HH21 ARG 24 9.918 30.856 -7.613
187 HH22 ARG 24 HH22 ARG 24 10.326 29.193 -7.873
188 H ARG 25 H ARG 25 4.929 32.989 -1.926
189 HA ARG 25 HA ARG 25 5.933 35.586 -2.769
190 HB2 ARG 25 HB2 ARG 25 3.690 36.104 -3.376
191 HB3 ARG 25 HB3 ARG 25 3.981 34.446 -3.885
192 HG2 ARG 25 HG2 ARG 25 2.143 33.862 -2.801
193 HG3 ARG 25 HG3 ARG 25 2.965 34.257 -1.291
194 HD2 ARG 25 HD2 ARG 25 1.689 36.435 -2.884
195 HD3 ARG 25 HD3 ARG 25 0.679 35.379 -1.896
196 HE ARG 25 HE ARG 25 2.595 36.150 -0.167
197 HH11 ARG 25 HH11 ARG 25 0.525 37.915 -2.339
198 HH12 ARG 25 HH12 ARG 25 0.470 39.333 -1.344
199 HH21 ARG 25 HH21 ARG 25 2.531 38.011 1.152
200 HH22 ARG 25 HH22 ARG 25 1.613 39.386 0.641
Start of MODEL 6
1 H1 GLY 1 H GLY 1 3.933 0.424 -1.187
2 HA2 GLY 1 HA2 GLY 1 1.761 -1.102 -0.388
3 HA3 GLY 1 HA3 GLY 1 1.447 0.529 0.188
4 H ALA 2 H ALA 2 1.024 -1.572 -2.347
5 HA ALA 2 HA ALA 2 1.296 0.006 -4.629
6 HB1 ALA 2 HB1 ALA 2 -0.998 -1.868 -4.507
7 HB2 ALA 2 HB2 ALA 2 0.248 -1.676 -5.742
8 HB3 ALA 2 HB3 ALA 2 0.614 -2.535 -4.246
9 H TRP 3 H TRP 3 -1.107 0.052 -2.129
10 HA TRP 3 HA TRP 3 -3.095 1.474 -3.614
11 HB2 TRP 3 HB2 TRP 3 -4.225 1.744 -1.475
12 HB3 TRP 3 HB3 TRP 3 -3.641 0.090 -1.638
13 HD1 TRP 3 HD1 TRP 3 -1.816 -0.741 0.077
14 HE1 TRP 3 HE1 TRP 3 -0.873 0.252 2.257
15 HE3 TRP 3 HE3 TRP 3 -3.612 4.026 -0.357
16 HZ2 TRP 3 HZ2 TRP 3 -0.889 2.727 3.613
17 HZ3 TRP 3 HZ3 TRP 3 -3.103 5.645 1.425
18 HH2 TRP 3 HH2 TRP 3 -1.770 5.007 3.368
19 H LYS 4 H LYS 4 -0.424 2.363 -1.513
20 HA LYS 4 HA LYS 4 -1.128 5.115 -1.284
21 HB2 LYS 4 HB2 LYS 4 0.507 3.633 0.145
22 HB3 LYS 4 HB3 LYS 4 1.698 4.156 -1.039
23 HG2 LYS 4 HG2 LYS 4 0.501 6.514 -0.368
24 HG3 LYS 4 HG3 LYS 4 0.458 5.627 1.157
25 HD2 LYS 4 HD2 LYS 4 2.971 5.094 0.462
26 HD3 LYS 4 HD3 LYS 4 2.778 6.618 -0.408
27 HE2 LYS 4 HE2 LYS 4 3.436 7.496 1.566
28 HE3 LYS 4 HE3 LYS 4 1.728 7.313 1.963
29 HZ1 LYS 4 HZ1 LYS 4 2.444 4.999 2.779
30 HZ2 LYS 4 HZ2 LYS 4 2.792 6.340 3.749
31 HZ3 LYS 4 HZ3 LYS 4 4.008 5.644 2.801
32 H ASN 5 H ASN 5 0.559 3.224 -3.649
33 HA ASN 5 HA ASN 5 2.133 5.123 -4.908
34 HB2 ASN 5 HB2 ASN 5 2.061 2.675 -5.440
35 HB3 ASN 5 HB3 ASN 5 0.553 2.956 -6.305
36 HD21 ASN 5 HD21 ASN 5 1.664 2.105 -8.151
37 HD22 ASN 5 HD22 ASN 5 2.706 3.126 -9.077
38 H PHE 6 H PHE 6 -1.259 4.291 -5.601
39 HA PHE 6 HA PHE 6 -1.717 6.084 -7.661
40 HB2 PHE 6 HB2 PHE 6 -3.264 4.262 -6.716
41 HB3 PHE 6 HB3 PHE 6 -3.788 5.481 -5.558
42 HD1 PHE 6 HD1 PHE 6 -4.444 7.802 -6.685
43 HD2 PHE 6 HD2 PHE 6 -4.492 4.017 -8.632
44 HE1 PHE 6 HE1 PHE 6 -6.056 8.671 -8.328
45 HE2 PHE 6 HE2 PHE 6 -6.103 4.881 -10.279
46 HZ PHE 6 HZ PHE 6 -6.886 7.211 -10.129
47 H TRP 7 H TRP 7 -2.248 6.587 -4.176
48 HA TRP 7 HA TRP 7 -3.174 9.196 -4.267
49 HB2 TRP 7 HB2 TRP 7 -1.512 7.785 -2.176
50 HB3 TRP 7 HB3 TRP 7 -2.200 9.389 -1.939
51 HD1 TRP 7 HD1 TRP 7 -2.925 6.100 -0.881
52 HE1 TRP 7 HE1 TRP 7 -5.439 5.685 -0.517
53 HE3 TRP 7 HE3 TRP 7 -4.790 10.101 -3.460
54 HZ2 TRP 7 HZ2 TRP 7 -7.888 6.894 -1.228
55 HZ3 TRP 7 HZ3 TRP 7 -7.229 10.400 -3.570
56 HH2 TRP 7 HH2 TRP 7 -8.745 8.828 -2.477
57 H SER 8 H SER 8 0.156 8.007 -4.235
58 HA SER 8 HA SER 8 1.496 10.420 -3.913
59 HB2 SER 8 HB2 SER 8 2.208 7.772 -4.465
60 HB3 SER 8 HB3 SER 8 2.859 8.702 -5.814
61 HG SER 8 HG SER 8 3.706 8.579 -3.247
62 H SER 9 H SER 9 0.328 8.873 -6.880
63 HA SER 9 HA SER 9 1.382 10.688 -8.720
64 HB2 SER 9 HB2 SER 9 -0.329 8.452 -8.801
65 HB3 SER 9 HB3 SER 9 -1.215 9.766 -9.575
66 HG SER 9 HG SER 9 0.060 8.717 -11.102
67 H LEU 10 H LEU 10 -1.855 10.639 -7.233
68 HA LEU 10 HA LEU 10 -2.863 12.946 -8.400
69 HB2 LEU 10 HB2 LEU 10 -3.426 12.059 -5.580
70 HB3 LEU 10 HB3 LEU 10 -4.477 12.995 -6.641
71 HG LEU 10 HG LEU 10 -3.745 10.084 -6.950
72 HD11 LEU 10 HD11 LEU 10 -5.462 10.964 -5.179
73 HD12 LEU 10 HD12 LEU 10 -5.832 9.553 -6.169
74 HD13 LEU 10 HD13 LEU 10 -6.512 11.126 -6.587
75 HD21 LEU 10 HD21 LEU 10 -4.191 10.378 -9.111
76 HD22 LEU 10 HD22 LEU 10 -4.748 12.031 -8.849
77 HD23 LEU 10 HD23 LEU 10 -5.861 10.680 -8.632
78 H ARG 11 H ARG 11 -0.827 12.562 -5.549
79 HA ARG 11 HA ARG 11 -0.966 15.108 -4.476
80 HB2 ARG 11 HB2 ARG 11 0.718 12.824 -4.203
81 HB3 ARG 11 HB3 ARG 11 1.746 14.244 -4.337
82 HG2 ARG 11 HG2 ARG 11 1.057 15.105 -2.355
83 HG3 ARG 11 HG3 ARG 11 -0.562 14.415 -2.492
84 HD2 ARG 11 HD2 ARG 11 0.403 13.189 -0.766
85 HD3 ARG 11 HD3 ARG 11 0.610 12.147 -2.172
86 HE ARG 11 HE ARG 11 2.862 12.326 -1.889
87 HH11 ARG 11 HH11 ARG 11 1.334 15.033 -0.321
88 HH12 ARG 11 HH12 ARG 11 2.811 15.647 0.346
89 HH21 ARG 11 HH21 ARG 11 4.812 13.125 -1.018
90 HH22 ARG 11 HH22 ARG 11 4.789 14.562 -0.052
91 H LYS 12 H LYS 12 1.303 13.914 -6.948
92 HA LYS 12 HA LYS 12 2.702 16.279 -7.373
93 HB2 LYS 12 HB2 LYS 12 2.256 13.778 -8.858
94 HB3 LYS 12 HB3 LYS 12 2.677 15.158 -9.864
95 HG2 LYS 12 HG2 LYS 12 4.663 13.932 -9.259
96 HG3 LYS 12 HG3 LYS 12 4.683 15.525 -8.500
97 HD2 LYS 12 HD2 LYS 12 3.452 13.388 -6.896
98 HD3 LYS 12 HD3 LYS 12 5.181 13.199 -7.197
99 HE2 LYS 12 HE2 LYS 12 4.680 15.916 -6.522
100 HE3 LYS 12 HE3 LYS 12 3.879 14.896 -5.329
101 HZ1 LYS 12 HZ1 LYS 12 5.823 14.231 -4.484
102 HZ2 LYS 12 HZ2 LYS 12 6.479 15.579 -5.266
103 HZ3 LYS 12 HZ3 LYS 12 6.556 14.056 -5.999
104 H GLY 13 H GLY 13 -0.426 15.250 -8.572
105 HA2 GLY 13 HA2 GLY 13 -0.700 17.234 -10.586
106 HA3 GLY 13 HA3 GLY 13 -2.009 16.318 -9.854
107 H PHE 14 H PHE 14 -2.054 17.051 -7.292
108 HA PHE 14 HA PHE 14 -3.228 19.617 -7.369
109 HB2 PHE 14 HB2 PHE 14 -3.841 17.784 -5.773
110 HB3 PHE 14 HB3 PHE 14 -2.337 18.095 -4.914
111 HD1 PHE 14 HD1 PHE 14 -2.028 20.169 -3.661
112 HD2 PHE 14 HD2 PHE 14 -5.715 19.258 -5.582
113 HE1 PHE 14 HE1 PHE 14 -3.149 21.906 -2.325
114 HE2 PHE 14 HE2 PHE 14 -6.841 20.993 -4.251
115 HZ PHE 14 HZ PHE 14 -5.558 22.320 -2.620
116 H TYR 15 H TYR 15 -0.017 18.508 -6.656
117 HA TYR 15 HA TYR 15 0.989 20.593 -5.133
118 HB2 TYR 15 HB2 TYR 15 2.062 18.353 -6.169
119 HB3 TYR 15 HB3 TYR 15 2.754 19.537 -7.272
120 HD1 TYR 15 HD1 TYR 15 3.764 21.680 -6.021
121 HD2 TYR 15 HD2 TYR 15 3.278 17.826 -4.284
122 HE1 TYR 15 HE1 TYR 15 5.502 22.214 -4.365
123 HE2 TYR 15 HE2 TYR 15 5.014 18.350 -2.622
124 HH TYR 15 HH TYR 15 6.849 19.820 -2.278
125 H ASP 16 H ASP 16 0.273 20.460 -8.547
126 HA ASP 16 HA ASP 16 1.324 23.190 -8.870
127 HB2 ASP 16 HB2 ASP 16 0.901 20.943 -10.825
128 HB3 ASP 16 HB3 ASP 16 1.052 22.610 -11.373
129 H GLY 17 H GLY 17 -1.279 22.372 -7.688
130 HA2 GLY 17 HA2 GLY 17 -3.093 23.609 -9.662
131 HA3 GLY 17 HA3 GLY 17 -3.607 22.500 -8.400
132 H GLU 18 H GLU 18 -2.688 23.394 -6.122
133 HA GLU 18 HA GLU 18 -4.031 25.953 -5.815
134 HB2 GLU 18 HB2 GLU 18 -4.430 23.954 -4.302
135 HB3 GLU 18 HB3 GLU 18 -2.828 24.247 -3.638
136 HG2 GLU 18 HG2 GLU 18 -3.827 25.569 -2.166
137 HG3 GLU 18 HG3 GLU 18 -4.028 26.717 -3.489
138 H ALA 19 H ALA 19 -0.836 24.535 -5.329
139 HA ALA 19 HA ALA 19 0.344 26.838 -4.159
140 HB1 ALA 19 HB1 ALA 19 1.149 24.193 -4.817
141 HB2 ALA 19 HB2 ALA 19 2.328 25.317 -5.494
142 HB3 ALA 19 HB3 ALA 19 1.954 25.364 -3.771
143 H GLY 20 H GLY 20 -0.350 25.901 -7.420
144 HA2 GLY 20 HA2 GLY 20 1.551 27.398 -8.823
145 HA3 GLY 20 HA3 GLY 20 -0.045 26.973 -9.425
146 H ARG 21 H ARG 21 -1.274 28.423 -7.091
147 HA ARG 21 HA ARG 21 -1.607 30.927 -8.399
148 HB2 ARG 21 HB2 ARG 21 -3.268 29.627 -6.895
149 HB3 ARG 21 HB3 ARG 21 -2.425 30.398 -5.558
150 HG2 ARG 21 HG2 ARG 21 -2.897 32.577 -6.958
151 HG3 ARG 21 HG3 ARG 21 -4.195 31.585 -7.626
152 HD2 ARG 21 HD2 ARG 21 -4.280 31.172 -4.861
153 HD3 ARG 21 HD3 ARG 21 -4.021 32.904 -5.070
154 HE ARG 21 HE ARG 21 -6.394 31.415 -5.714
155 HH11 ARG 21 HH11 ARG 21 -4.543 34.286 -6.384
156 HH12 ARG 21 HH12 ARG 21 -5.905 35.187 -6.962
157 HH21 ARG 21 HH21 ARG 21 -8.195 32.590 -6.472
158 HH22 ARG 21 HH22 ARG 21 -7.983 34.222 -7.010
159 H ALA 22 H ALA 22 0.019 29.934 -5.405
160 HA ALA 22 HA ALA 22 1.876 32.126 -5.641
161 HB1 ALA 22 HB1 ALA 22 1.185 33.485 -3.989
162 HB2 ALA 22 HB2 ALA 22 -0.389 32.751 -4.302
163 HB3 ALA 22 HB3 ALA 22 0.618 32.150 -2.985
164 H ILE 23 H ILE 23 3.703 31.009 -5.400
165 HA ILE 23 HA ILE 23 3.861 28.732 -3.627
166 HB ILE 23 HB ILE 23 6.091 30.020 -5.201
167 HG12 ILE 23 HG12 ILE 23 4.285 27.721 -5.985
168 HG13 ILE 23 HG13 ILE 23 4.210 29.345 -6.659
169 HG21 ILE 23 HG21 ILE 23 7.203 27.881 -4.967
170 HG22 ILE 23 HG22 ILE 23 6.790 28.524 -3.378
171 HG23 ILE 23 HG23 ILE 23 5.821 27.232 -4.085
172 HD11 ILE 23 HD11 ILE 23 5.628 28.680 -8.217
173 HD12 ILE 23 HD12 ILE 23 6.862 28.527 -6.966
174 HD13 ILE 23 HD13 ILE 23 5.872 27.135 -7.404
175 H ARG 24 H ARG 24 5.580 31.844 -3.911
176 HA ARG 24 HA ARG 24 6.032 31.750 -1.004
177 HB2 ARG 24 HB2 ARG 24 8.001 31.751 -3.094
178 HB3 ARG 24 HB3 ARG 24 8.131 33.241 -2.169
179 HG2 ARG 24 HG2 ARG 24 9.580 31.748 -1.110
180 HG3 ARG 24 HG3 ARG 24 8.135 31.763 -0.097
181 HD2 ARG 24 HD2 ARG 24 8.239 29.531 -0.250
182 HD3 ARG 24 HD3 ARG 24 7.568 29.761 -1.864
183 HE ARG 24 HE ARG 24 10.280 29.991 -2.179
184 HH11 ARG 24 HH11 ARG 24 8.110 27.568 -0.939
185 HH12 ARG 24 HH12 ARG 24 9.127 26.240 -1.388
186 HH21 ARG 24 HH21 ARG 24 11.629 28.251 -2.775
187 HH22 ARG 24 HH22 ARG 24 11.130 26.629 -2.431
188 H ARG 25 H ARG 25 5.789 33.767 -3.901
189 HA ARG 25 HA ARG 25 5.652 36.231 -2.468
190 HB2 ARG 25 HB2 ARG 25 6.163 35.636 -5.035
191 HB3 ARG 25 HB3 ARG 25 4.456 36.035 -5.177
192 HG2 ARG 25 HG2 ARG 25 4.784 38.238 -4.538
193 HG3 ARG 25 HG3 ARG 25 6.332 37.886 -3.767
194 HD2 ARG 25 HD2 ARG 25 5.866 37.650 -6.732
195 HD3 ARG 25 HD3 ARG 25 6.457 39.120 -5.960
196 HE ARG 25 HE ARG 25 8.036 36.870 -5.239
197 HH11 ARG 25 HH11 ARG 25 7.441 39.132 -7.819
198 HH12 ARG 25 HH12 ARG 25 9.037 38.996 -8.481
199 HH21 ARG 25 HH21 ARG 25 10.139 36.682 -6.102
200 HH22 ARG 25 HH22 ARG 25 10.570 37.601 -7.504
Start of MODEL 7
1 H1 GLY 1 H GLY 1 4.709 0.357 -0.641
2 HA2 GLY 1 HA2 GLY 1 2.674 -0.723 -0.732
3 HA3 GLY 1 HA3 GLY 1 2.082 0.785 -0.050
4 H ALA 2 H ALA 2 1.158 -1.279 -2.179
5 HA ALA 2 HA ALA 2 0.979 0.058 -4.648
6 HB1 ALA 2 HB1 ALA 2 -0.700 -2.111 -3.412
7 HB2 ALA 2 HB2 ALA 2 -0.957 -1.511 -5.051
8 HB3 ALA 2 HB3 ALA 2 0.574 -2.273 -4.621
9 H TRP 3 H TRP 3 -0.824 0.363 -1.699
10 HA TRP 3 HA TRP 3 -3.083 1.693 -2.857
11 HB2 TRP 3 HB2 TRP 3 -3.718 2.174 -0.532
12 HB3 TRP 3 HB3 TRP 3 -3.282 0.480 -0.739
13 HD1 TRP 3 HD1 TRP 3 -1.255 -0.434 0.650
14 HE1 TRP 3 HE1 TRP 3 0.226 0.570 2.500
15 HE3 TRP 3 HE3 TRP 3 -2.637 4.470 0.224
16 HZ2 TRP 3 HZ2 TRP 3 0.740 3.105 3.630
17 HZ3 TRP 3 HZ3 TRP 3 -1.604 6.121 1.728
18 HH2 TRP 3 HH2 TRP 3 0.049 5.450 3.395
19 H LYS 4 H LYS 4 -0.014 2.673 -1.490
20 HA LYS 4 HA LYS 4 -0.634 5.438 -1.237
21 HB2 LYS 4 HB2 LYS 4 1.268 4.136 -0.115
22 HB3 LYS 4 HB3 LYS 4 2.129 4.305 -1.639
23 HG2 LYS 4 HG2 LYS 4 2.102 6.698 -1.454
24 HG3 LYS 4 HG3 LYS 4 1.079 6.614 -0.018
25 HD2 LYS 4 HD2 LYS 4 2.973 5.224 1.012
26 HD3 LYS 4 HD3 LYS 4 3.960 5.821 -0.323
27 HE2 LYS 4 HE2 LYS 4 2.543 8.008 0.847
28 HE3 LYS 4 HE3 LYS 4 3.359 7.104 2.122
29 HZ1 LYS 4 HZ1 LYS 4 5.110 8.340 1.527
30 HZ2 LYS 4 HZ2 LYS 4 4.476 8.726 0.008
31 HZ3 LYS 4 HZ3 LYS 4 5.267 7.249 0.244
32 H ASN 5 H ASN 5 0.382 3.418 -3.864
33 HA ASN 5 HA ASN 5 1.585 5.210 -5.585
34 HB2 ASN 5 HB2 ASN 5 0.888 2.618 -5.783
35 HB3 ASN 5 HB3 ASN 5 -0.362 3.328 -6.800
36 HD21 ASN 5 HD21 ASN 5 3.116 3.792 -6.248
37 HD22 ASN 5 HD22 ASN 5 3.550 3.808 -7.921
38 H PHE 6 H PHE 6 -1.891 4.452 -5.368
39 HA PHE 6 HA PHE 6 -2.822 6.211 -7.288
40 HB2 PHE 6 HB2 PHE 6 -4.314 4.604 -6.310
41 HB3 PHE 6 HB3 PHE 6 -4.103 5.302 -4.708
42 HD1 PHE 6 HD1 PHE 6 -4.778 6.938 -7.981
43 HD2 PHE 6 HD2 PHE 6 -6.182 6.069 -4.058
44 HE1 PHE 6 HE1 PHE 6 -6.729 8.388 -8.362
45 HE2 PHE 6 HE2 PHE 6 -8.136 7.516 -4.433
46 HZ PHE 6 HZ PHE 6 -8.412 8.677 -6.587
47 H TRP 7 H TRP 7 -2.414 6.812 -3.803
48 HA TRP 7 HA TRP 7 -3.256 9.479 -3.810
49 HB2 TRP 7 HB2 TRP 7 -1.228 8.157 -1.994
50 HB3 TRP 7 HB3 TRP 7 -2.054 9.679 -1.672
51 HD1 TRP 7 HD1 TRP 7 -2.219 6.381 -0.451
52 HE1 TRP 7 HE1 TRP 7 -4.584 5.686 0.287
53 HE3 TRP 7 HE3 TRP 7 -4.913 10.020 -2.826
54 HZ2 TRP 7 HZ2 TRP 7 -7.241 6.564 -0.088
55 HZ3 TRP 7 HZ3 TRP 7 -7.362 10.021 -2.586
56 HH2 TRP 7 HH2 TRP 7 -8.500 8.327 -1.245
57 H SER 8 H SER 8 -0.117 8.039 -4.477
58 HA SER 8 HA SER 8 1.451 10.352 -4.431
59 HB2 SER 8 HB2 SER 8 1.815 7.966 -6.258
60 HB3 SER 8 HB3 SER 8 3.060 9.110 -5.756
61 HG SER 8 HG SER 8 3.347 7.567 -4.309
62 H SER 9 H SER 9 -0.472 8.924 -7.030
63 HA SER 9 HA SER 9 0.355 10.691 -9.069
64 HB2 SER 9 HB2 SER 9 -2.022 8.891 -8.701
65 HB3 SER 9 HB3 SER 9 -1.942 9.987 -10.080
66 HG SER 9 HG SER 9 -0.430 8.791 -10.949
67 H LEU 10 H LEU 10 -2.611 10.676 -7.090
68 HA LEU 10 HA LEU 10 -3.764 12.999 -8.041
69 HB2 LEU 10 HB2 LEU 10 -3.804 12.097 -5.168
70 HB3 LEU 10 HB3 LEU 10 -5.003 13.098 -5.985
71 HG LEU 10 HG LEU 10 -4.450 10.206 -6.642
72 HD11 LEU 10 HD11 LEU 10 -5.735 11.217 -4.397
73 HD12 LEU 10 HD12 LEU 10 -5.852 9.579 -5.038
74 HD13 LEU 10 HD13 LEU 10 -7.039 10.795 -5.508
75 HD21 LEU 10 HD21 LEU 10 -5.539 12.049 -8.269
76 HD22 LEU 10 HD22 LEU 10 -6.976 11.535 -7.384
77 HD23 LEU 10 HD23 LEU 10 -6.011 10.350 -8.265
78 H ARG 11 H ARG 11 -1.376 12.624 -5.447
79 HA ARG 11 HA ARG 11 -1.270 15.234 -4.533
80 HB2 ARG 11 HB2 ARG 11 -0.034 13.117 -3.701
81 HB3 ARG 11 HB3 ARG 11 1.217 13.577 -4.848
82 HG2 ARG 11 HG2 ARG 11 1.375 15.777 -3.717
83 HG3 ARG 11 HG3 ARG 11 0.223 15.194 -2.513
84 HD2 ARG 11 HD2 ARG 11 1.941 14.364 -1.374
85 HD3 ARG 11 HD3 ARG 11 2.184 13.212 -2.687
86 HE ARG 11 HE ARG 11 3.429 15.639 -3.354
87 HH11 ARG 11 HH11 ARG 11 3.756 12.976 -1.135
88 HH12 ARG 11 HH12 ARG 11 5.476 13.134 -0.996
89 HH21 ARG 11 HH21 ARG 11 5.693 15.856 -3.180
90 HH22 ARG 11 HH22 ARG 11 6.577 14.772 -2.159
91 H LYS 12 H LYS 12 0.515 13.757 -7.223
92 HA LYS 12 HA LYS 12 2.047 16.003 -7.913
93 HB2 LYS 12 HB2 LYS 12 1.331 13.437 -9.149
94 HB3 LYS 12 HB3 LYS 12 1.668 14.718 -10.306
95 HG2 LYS 12 HG2 LYS 12 3.667 13.434 -9.834
96 HG3 LYS 12 HG3 LYS 12 3.844 15.093 -9.260
97 HD2 LYS 12 HD2 LYS 12 2.760 13.176 -7.302
98 HD3 LYS 12 HD3 LYS 12 4.437 12.908 -7.783
99 HE2 LYS 12 HE2 LYS 12 4.161 15.675 -7.363
100 HE3 LYS 12 HE3 LYS 12 3.345 14.885 -6.014
101 HZ1 LYS 12 HZ1 LYS 12 6.078 15.240 -6.379
102 HZ2 LYS 12 HZ2 LYS 12 5.787 13.580 -6.522
103 HZ3 LYS 12 HZ3 LYS 12 5.301 14.406 -5.128
104 H GLY 13 H GLY 13 -1.205 15.011 -8.850
105 HA2 GLY 13 HA2 GLY 13 -1.612 16.877 -10.913
106 HA3 GLY 13 HA3 GLY 13 -2.879 16.125 -9.955
107 H PHE 14 H PHE 14 -2.602 17.071 -7.492
108 HA PHE 14 HA PHE 14 -3.589 19.710 -7.680
109 HB2 PHE 14 HB2 PHE 14 -4.100 18.000 -5.869
110 HB3 PHE 14 HB3 PHE 14 -2.537 18.407 -5.169
111 HD1 PHE 14 HD1 PHE 14 -2.132 20.684 -4.294
112 HD2 PHE 14 HD2 PHE 14 -5.976 19.422 -5.615
113 HE1 PHE 14 HE1 PHE 14 -3.160 22.569 -3.093
114 HE2 PHE 14 HE2 PHE 14 -7.010 21.306 -4.417
115 HZ PHE 14 HZ PHE 14 -5.602 22.883 -3.155
116 H TYR 15 H TYR 15 -0.410 18.407 -7.214
117 HA TYR 15 HA TYR 15 0.889 20.542 -5.991
118 HB2 TYR 15 HB2 TYR 15 1.688 18.122 -6.851
119 HB3 TYR 15 HB3 TYR 15 2.359 19.116 -8.140
120 HD1 TYR 15 HD1 TYR 15 3.695 21.245 -7.290
121 HD2 TYR 15 HD2 TYR 15 2.984 17.744 -4.979
122 HE1 TYR 15 HE1 TYR 15 5.619 21.803 -5.864
123 HE2 TYR 15 HE2 TYR 15 4.906 18.293 -3.545
124 HH TYR 15 HH TYR 15 6.552 21.345 -3.769
125 H ASP 16 H ASP 16 -0.276 20.184 -9.236
126 HA ASP 16 HA ASP 16 1.076 22.670 -10.034
127 HB2 ASP 16 HB2 ASP 16 -0.278 20.591 -11.766
128 HB3 ASP 16 HB3 ASP 16 0.578 22.018 -12.345
129 H GLY 17 H GLY 17 -1.174 22.730 -8.286
130 HA2 GLY 17 HA2 GLY 17 -3.104 24.112 -10.042
131 HA3 GLY 17 HA3 GLY 17 -3.645 23.067 -8.737
132 H GLU 18 H GLU 18 -2.191 23.721 -6.615
133 HA GLU 18 HA GLU 18 -3.064 26.444 -6.074
134 HB2 GLU 18 HB2 GLU 18 -2.524 24.035 -4.485
135 HB3 GLU 18 HB3 GLU 18 -1.967 25.524 -3.734
136 HG2 GLU 18 HG2 GLU 18 -4.713 25.485 -4.849
137 HG3 GLU 18 HG3 GLU 18 -4.409 24.581 -3.366
138 H ALA 19 H ALA 19 -0.100 24.525 -5.566
139 HA ALA 19 HA ALA 19 1.522 26.738 -4.890
140 HB1 ALA 19 HB1 ALA 19 1.830 24.051 -4.754
141 HB2 ALA 19 HB2 ALA 19 2.877 24.440 -6.119
142 HB3 ALA 19 HB3 ALA 19 3.140 25.215 -4.557
143 H GLY 20 H GLY 20 0.482 25.423 -7.920
144 HA2 GLY 20 HA2 GLY 20 2.515 26.300 -9.624
145 HA3 GLY 20 HA3 GLY 20 0.831 26.097 -10.085
146 H ARG 21 H ARG 21 -0.034 28.090 -8.057
147 HA ARG 21 HA ARG 21 0.326 30.423 -9.730
148 HB2 ARG 21 HB2 ARG 21 -1.895 30.018 -8.926
149 HB3 ARG 21 HB3 ARG 21 -1.333 29.905 -7.264
150 HG2 ARG 21 HG2 ARG 21 -1.090 32.181 -7.045
151 HG3 ARG 21 HG3 ARG 21 -0.912 32.435 -8.782
152 HD2 ARG 21 HD2 ARG 21 -3.465 31.293 -8.341
153 HD3 ARG 21 HD3 ARG 21 -3.262 32.602 -7.177
154 HE ARG 21 HE ARG 21 -2.490 33.375 -9.813
155 HH11 ARG 21 HH11 ARG 21 -5.224 32.911 -7.709
156 HH12 ARG 21 HH12 ARG 21 -6.228 34.046 -8.548
157 HH21 ARG 21 HH21 ARG 21 -3.802 34.871 -10.927
158 HH22 ARG 21 HH22 ARG 21 -5.419 35.160 -10.379
159 H ALA 22 H ALA 22 1.197 29.366 -6.480
160 HA ALA 22 HA ALA 22 3.436 31.123 -6.388
161 HB1 ALA 22 HB1 ALA 22 2.677 32.425 -4.394
162 HB2 ALA 22 HB2 ALA 22 1.842 32.829 -5.894
163 HB3 ALA 22 HB3 ALA 22 1.048 31.816 -4.688
164 H ILE 23 H ILE 23 4.904 29.898 -5.423
165 HA ILE 23 HA ILE 23 4.222 27.679 -3.773
166 HB ILE 23 HB ILE 23 6.928 28.953 -4.194
167 HG12 ILE 23 HG12 ILE 23 5.719 26.563 -5.597
168 HG13 ILE 23 HG13 ILE 23 5.758 28.185 -6.279
169 HG21 ILE 23 HG21 ILE 23 7.044 26.154 -3.715
170 HG22 ILE 23 HG22 ILE 23 7.719 27.467 -2.752
171 HG23 ILE 23 HG23 ILE 23 6.080 26.898 -2.440
172 HD11 ILE 23 HD11 ILE 23 7.660 27.495 -7.221
173 HD12 ILE 23 HD12 ILE 23 8.367 27.811 -5.637
174 HD13 ILE 23 HD13 ILE 23 7.869 26.176 -6.070
175 H ARG 24 H ARG 24 5.953 30.722 -3.089
176 HA ARG 24 HA ARG 24 5.320 30.336 -0.239
177 HB2 ARG 24 HB2 ARG 24 7.691 31.350 -1.660
178 HB3 ARG 24 HB3 ARG 24 7.204 32.311 -0.270
179 HG2 ARG 24 HG2 ARG 24 8.859 30.643 0.347
180 HG3 ARG 24 HG3 ARG 24 7.318 30.333 1.149
181 HD2 ARG 24 HD2 ARG 24 6.792 28.651 -0.574
182 HD3 ARG 24 HD3 ARG 24 8.369 28.936 -1.309
183 HE ARG 24 HE ARG 24 7.808 27.399 1.054
184 HH11 ARG 24 HH11 ARG 24 10.219 29.224 -0.671
185 HH12 ARG 24 HH12 ARG 24 11.556 28.413 0.077
186 HH21 ARG 24 HH21 ARG 24 9.559 26.324 2.045
187 HH22 ARG 24 HH22 ARG 24 11.179 26.763 1.621
188 H ARG 25 H ARG 25 5.826 32.974 -2.590
189 HA ARG 25 HA ARG 25 4.378 34.875 -1.046
190 HB2 ARG 25 HB2 ARG 25 6.051 35.682 -2.554
191 HB3 ARG 25 HB3 ARG 25 5.301 34.864 -3.918
192 HG2 ARG 25 HG2 ARG 25 3.886 36.546 -4.294
193 HG3 ARG 25 HG3 ARG 25 3.523 36.745 -2.578
194 HD2 ARG 25 HD2 ARG 25 6.026 37.694 -2.609
195 HD3 ARG 25 HD3 ARG 25 5.556 38.078 -4.264
196 HE ARG 25 HE ARG 25 4.665 39.375 -1.886
197 HH11 ARG 25 HH11 ARG 25 3.719 38.483 -5.115
198 HH12 ARG 25 HH12 ARG 25 2.565 39.765 -5.271
199 HH21 ARG 25 HH21 ARG 25 3.148 41.067 -2.079
200 HH22 ARG 25 HH22 ARG 25 2.241 41.235 -3.544
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.944 2.604 -0.562
2 HA2 GLY 1 HA2 GLY 1 3.060 0.217 -1.108
3 HA3 GLY 1 HA3 GLY 1 1.691 -0.018 -0.032
4 H ALA 2 H ALA 2 0.456 -1.007 -1.645
5 HA ALA 2 HA ALA 2 -0.011 0.028 -4.205
6 HB1 ALA 2 HB1 ALA 2 -1.755 -1.540 -4.392
7 HB2 ALA 2 HB2 ALA 2 -0.567 -2.287 -3.323
8 HB3 ALA 2 HB3 ALA 2 -2.028 -1.565 -2.649
9 H TRP 3 H TRP 3 -1.444 0.782 -1.108
10 HA TRP 3 HA TRP 3 -3.648 2.263 -2.199
11 HB2 TRP 3 HB2 TRP 3 -4.057 2.947 0.126
12 HB3 TRP 3 HB3 TRP 3 -3.815 1.206 0.005
13 HD1 TRP 3 HD1 TRP 3 -1.808 0.164 1.326
14 HE1 TRP 3 HE1 TRP 3 -0.095 1.112 2.996
15 HE3 TRP 3 HE3 TRP 3 -2.676 5.155 0.634
16 HZ2 TRP 3 HZ2 TRP 3 0.774 3.641 3.901
17 HZ3 TRP 3 HZ3 TRP 3 -1.361 6.772 1.941
18 HH2 TRP 3 HH2 TRP 3 0.327 6.029 3.541
19 H LYS 4 H LYS 4 -0.391 2.975 -1.160
20 HA LYS 4 HA LYS 4 -0.693 5.801 -1.017
21 HB2 LYS 4 HB2 LYS 4 1.133 4.619 0.121
22 HB3 LYS 4 HB3 LYS 4 1.794 4.132 -1.435
23 HG2 LYS 4 HG2 LYS 4 1.398 7.031 -0.948
24 HG3 LYS 4 HG3 LYS 4 2.719 6.219 -0.104
25 HD2 LYS 4 HD2 LYS 4 2.815 5.324 -2.768
26 HD3 LYS 4 HD3 LYS 4 2.562 7.070 -2.841
27 HE2 LYS 4 HE2 LYS 4 4.601 7.530 -1.986
28 HE3 LYS 4 HE3 LYS 4 4.566 6.153 -0.886
29 HZ1 LYS 4 HZ1 LYS 4 6.098 6.304 -3.080
30 HZ2 LYS 4 HZ2 LYS 4 4.762 5.461 -3.685
31 HZ3 LYS 4 HZ3 LYS 4 5.614 4.853 -2.356
32 H ASN 5 H ASN 5 -0.147 3.552 -3.596
33 HA ASN 5 HA ASN 5 1.073 5.108 -5.521
34 HB2 ASN 5 HB2 ASN 5 -0.612 2.719 -5.494
35 HB3 ASN 5 HB3 ASN 5 -0.784 3.662 -6.971
36 HD21 ASN 5 HD21 ASN 5 1.700 2.362 -4.808
37 HD22 ASN 5 HD22 ASN 5 2.824 1.963 -6.058
38 H PHE 6 H PHE 6 -2.400 4.847 -4.809
39 HA PHE 6 HA PHE 6 -3.331 6.575 -6.789
40 HB2 PHE 6 HB2 PHE 6 -4.888 5.208 -5.578
41 HB3 PHE 6 HB3 PHE 6 -4.432 5.948 -4.047
42 HD1 PHE 6 HD2 PHE 6 -5.313 7.436 -7.347
43 HD2 PHE 6 HD1 PHE 6 -6.271 7.052 -3.218
44 HE1 PHE 6 HE2 PHE 6 -7.115 9.090 -7.615
45 HE2 PHE 6 HE1 PHE 6 -8.075 8.705 -3.479
46 HZ PHE 6 HZ PHE 6 -8.498 9.727 -5.679
47 H TRP 7 H TRP 7 -2.495 7.292 -3.404
48 HA TRP 7 HA TRP 7 -3.036 10.030 -3.469
49 HB2 TRP 7 HB2 TRP 7 -0.966 8.549 -1.831
50 HB3 TRP 7 HB3 TRP 7 -1.531 10.186 -1.512
51 HD1 TRP 7 HD1 TRP 7 -1.984 7.005 -0.071
52 HE1 TRP 7 HE1 TRP 7 -4.306 6.693 0.995
53 HE3 TRP 7 HE3 TRP 7 -4.439 10.882 -2.325
54 HZ2 TRP 7 HZ2 TRP 7 -6.843 7.927 0.892
55 HZ3 TRP 7 HZ3 TRP 7 -6.812 11.247 -1.787
56 HH2 TRP 7 HH2 TRP 7 -7.987 9.799 -0.212
57 H SER 8 H SER 8 -0.277 8.215 -4.597
58 HA SER 8 HA SER 8 1.559 10.345 -4.814
59 HB2 SER 8 HB2 SER 8 2.113 7.889 -4.947
60 HB3 SER 8 HB3 SER 8 1.446 7.892 -6.580
61 HG SER 8 HG SER 8 3.392 8.470 -7.124
62 H SER 9 H SER 9 -0.867 9.056 -7.030
63 HA SER 9 HA SER 9 -0.133 10.627 -9.266
64 HB2 SER 9 HB2 SER 9 -2.673 9.192 -8.503
65 HB3 SER 9 HB3 SER 9 -2.539 10.115 -9.999
66 HG SER 9 HG SER 9 -0.575 8.211 -9.374
67 H LEU 10 H LEU 10 -2.707 11.038 -6.840
68 HA LEU 10 HA LEU 10 -3.756 13.433 -7.784
69 HB2 LEU 10 HB2 LEU 10 -3.509 12.661 -4.884
70 HB3 LEU 10 HB3 LEU 10 -4.706 13.735 -5.605
71 HG LEU 10 HG LEU 10 -4.512 10.769 -6.128
72 HD11 LEU 10 HD11 LEU 10 -5.595 10.461 -4.221
73 HD12 LEU 10 HD12 LEU 10 -6.908 11.473 -4.821
74 HD13 LEU 10 HD13 LEU 10 -5.587 12.196 -3.903
75 HD21 LEU 10 HD21 LEU 10 -6.210 10.978 -7.593
76 HD22 LEU 10 HD22 LEU 10 -5.606 12.628 -7.748
77 HD23 LEU 10 HD23 LEU 10 -6.974 12.285 -6.687
78 H ARG 11 H ARG 11 -1.035 12.852 -5.605
79 HA ARG 11 HA ARG 11 -0.522 15.424 -4.742
80 HB2 ARG 11 HB2 ARG 11 0.701 13.053 -4.385
81 HB3 ARG 11 HB3 ARG 11 1.838 13.798 -5.500
82 HG2 ARG 11 HG2 ARG 11 2.503 15.369 -3.995
83 HG3 ARG 11 HG3 ARG 11 0.943 15.400 -3.171
84 HD2 ARG 11 HD2 ARG 11 2.032 12.808 -2.844
85 HD3 ARG 11 HD3 ARG 11 3.309 13.968 -2.479
86 HE ARG 11 HE ARG 11 0.991 13.421 -0.910
87 HH11 ARG 11 HH11 ARG 11 3.252 15.914 -1.800
88 HH12 ARG 11 HH12 ARG 11 3.024 16.823 -0.343
89 HH21 ARG 11 HH21 ARG 11 0.682 14.608 1.013
90 HH22 ARG 11 HH22 ARG 11 1.563 16.079 1.257
91 H LYS 12 H LYS 12 0.758 13.832 -7.659
92 HA LYS 12 HA LYS 12 2.282 15.918 -8.650
93 HB2 LYS 12 HB2 LYS 12 0.936 13.554 -9.818
94 HB3 LYS 12 HB3 LYS 12 1.379 14.825 -10.950
95 HG2 LYS 12 HG2 LYS 12 3.113 13.120 -10.780
96 HG3 LYS 12 HG3 LYS 12 3.694 14.692 -10.226
97 HD2 LYS 12 HD2 LYS 12 2.521 12.987 -8.136
98 HD3 LYS 12 HD3 LYS 12 4.007 12.367 -8.860
99 HE2 LYS 12 HE2 LYS 12 4.371 15.136 -8.389
100 HE3 LYS 12 HE3 LYS 12 3.683 14.436 -6.925
101 HZ1 LYS 12 HZ1 LYS 12 5.448 12.757 -6.977
102 HZ2 LYS 12 HZ2 LYS 12 6.073 14.323 -6.853
103 HZ3 LYS 12 HZ3 LYS 12 6.127 13.506 -8.333
104 H GLY 13 H GLY 13 -1.188 15.342 -8.965
105 HA2 GLY 13 HA2 GLY 13 -1.754 17.340 -10.855
106 HA3 GLY 13 HA3 GLY 13 -2.895 16.695 -9.685
107 H PHE 14 H PHE 14 -2.026 17.488 -7.302
108 HA PHE 14 HA PHE 14 -2.692 20.238 -7.245
109 HB2 PHE 14 HB2 PHE 14 -3.043 18.454 -5.420
110 HB3 PHE 14 HB3 PHE 14 -1.371 18.773 -4.970
111 HD1 PHE 14 HD2 PHE 14 -0.750 21.203 -4.431
112 HD2 PHE 14 HD1 PHE 14 -4.755 19.771 -4.583
113 HE1 PHE 14 HE2 PHE 14 -1.482 23.116 -3.068
114 HE2 PHE 14 HE1 PHE 14 -5.494 21.682 -3.221
115 HZ PHE 14 HZ PHE 14 -3.857 23.357 -2.461
116 H TYR 15 H TYR 15 0.319 18.518 -7.374
117 HA TYR 15 HA TYR 15 2.080 20.420 -6.361
118 HB2 TYR 15 HB2 TYR 15 2.383 17.952 -7.406
119 HB3 TYR 15 HB3 TYR 15 2.975 18.917 -8.753
120 HD1 TYR 15 HD1 TYR 15 4.672 20.848 -8.004
121 HD2 TYR 15 HD2 TYR 15 3.924 17.264 -5.837
122 HE1 TYR 15 HE1 TYR 15 6.853 21.074 -6.889
123 HE2 TYR 15 HE2 TYR 15 6.102 17.481 -4.715
124 HH TYR 15 HH TYR 15 8.527 19.164 -5.719
125 H ASP 16 H ASP 16 0.448 20.255 -9.442
126 HA ASP 16 HA ASP 16 1.873 22.672 -10.329
127 HB2 ASP 16 HB2 ASP 16 1.472 20.341 -11.700
128 HB3 ASP 16 HB3 ASP 16 0.120 21.318 -12.266
129 H GLY 17 H GLY 17 -0.384 22.521 -8.400
130 HA2 GLY 17 HA2 GLY 17 -2.405 24.033 -9.933
131 HA3 GLY 17 HA3 GLY 17 -2.744 23.132 -8.463
132 H GLU 18 H GLU 18 -0.989 23.914 -6.659
133 HA GLU 18 HA GLU 18 -1.684 26.706 -6.251
134 HB2 GLU 18 HB2 GLU 18 -0.777 24.459 -4.535
135 HB3 GLU 18 HB3 GLU 18 -0.330 26.080 -4.020
136 HG2 GLU 18 HG2 GLU 18 -2.831 26.623 -4.363
137 HG3 GLU 18 HG3 GLU 18 -3.047 24.875 -4.308
138 H ALA 19 H ALA 19 1.259 24.706 -6.264
139 HA ALA 19 HA ALA 19 3.094 26.792 -5.890
140 HB1 ALA 19 HB1 ALA 19 4.584 25.139 -5.923
141 HB2 ALA 19 HB2 ALA 19 3.231 24.041 -6.198
142 HB3 ALA 19 HB3 ALA 19 4.142 24.678 -7.567
143 H GLY 20 H GLY 20 1.314 25.785 -8.684
144 HA2 GLY 20 HA2 GLY 20 2.983 26.830 -10.704
145 HA3 GLY 20 HA3 GLY 20 1.252 26.560 -10.844
146 H ARG 21 H ARG 21 0.731 28.360 -8.530
147 HA ARG 21 HA ARG 21 0.957 30.879 -10.019
148 HB2 ARG 21 HB2 ARG 21 -1.319 30.201 -9.484
149 HB3 ARG 21 HB3 ARG 21 -0.905 30.071 -7.780
150 HG2 ARG 21 HG2 ARG 21 -1.048 32.291 -7.437
151 HG3 ARG 21 HG3 ARG 21 -0.385 32.688 -9.024
152 HD2 ARG 21 HD2 ARG 21 -3.040 31.416 -9.040
153 HD3 ARG 21 HD3 ARG 21 -2.978 33.025 -8.323
154 HE ARG 21 HE ARG 21 -2.718 32.364 -11.094
155 HH11 ARG 21 HH11 ARG 21 -1.813 34.658 -8.637
156 HH12 ARG 21 HH12 ARG 21 -1.580 35.961 -9.755
157 HH21 ARG 21 HH21 ARG 21 -2.415 34.071 -12.576
158 HH22 ARG 21 HH22 ARG 21 -1.924 35.626 -11.996
159 H ALA 22 H ALA 22 1.789 29.322 -7.018
160 HA ALA 22 HA ALA 22 3.790 31.225 -6.409
161 HB1 ALA 22 HB1 ALA 22 1.745 31.327 -4.270
162 HB2 ALA 22 HB2 ALA 22 2.897 32.553 -4.802
163 HB3 ALA 22 HB3 ALA 22 1.428 32.260 -5.733
164 H ILE 23 H ILE 23 5.263 30.352 -5.055
165 HA ILE 23 HA ILE 23 4.831 27.648 -4.159
166 HB ILE 23 HB ILE 23 7.247 29.381 -3.651
167 HG12 ILE 23 HG12 ILE 23 6.702 27.524 -5.978
168 HG13 ILE 23 HG13 ILE 23 6.728 29.282 -6.062
169 HG21 ILE 23 HG21 ILE 23 7.537 26.489 -4.035
170 HG22 ILE 23 HG22 ILE 23 8.268 27.556 -2.837
171 HG23 ILE 23 HG23 ILE 23 6.628 26.954 -2.598
172 HD11 ILE 23 HD11 ILE 23 9.068 27.543 -5.318
173 HD12 ILE 23 HD12 ILE 23 8.792 28.276 -6.898
174 HD13 ILE 23 HD13 ILE 23 9.079 29.298 -5.490
175 H ARG 24 H ARG 24 5.943 30.605 -2.494
176 HA ARG 24 HA ARG 24 4.699 29.562 -0.034
177 HB2 ARG 24 HB2 ARG 24 6.381 31.083 1.134
178 HB3 ARG 24 HB3 ARG 24 7.019 29.632 0.373
179 HG2 ARG 24 HG2 ARG 24 6.983 32.086 -1.272
180 HG3 ARG 24 HG3 ARG 24 8.121 32.040 0.076
181 HD2 ARG 24 HD2 ARG 24 7.979 29.651 -1.674
182 HD3 ARG 24 HD3 ARG 24 8.718 31.104 -2.348
183 HE ARG 24 HE ARG 24 9.803 29.393 -0.313
184 HH11 ARG 24 HH11 ARG 24 9.811 32.610 -1.644
185 HH12 ARG 24 HH12 ARG 24 11.393 32.992 -1.051
186 HH21 ARG 24 HH21 ARG 24 11.887 29.884 0.474
187 HH22 ARG 24 HH22 ARG 24 12.573 31.441 0.153
188 H ARG 25 H ARG 25 3.425 31.167 -2.118
189 HA ARG 25 HA ARG 25 2.104 33.005 -2.370
190 HB2 ARG 25 HB2 ARG 25 2.076 32.581 0.607
191 HB3 ARG 25 HB3 ARG 25 1.165 33.890 -0.134
192 HG2 ARG 25 HG2 ARG 25 0.258 31.937 -1.655
193 HG3 ARG 25 HG3 ARG 25 0.725 30.958 -0.263
194 HD2 ARG 25 HD2 ARG 25 -1.443 31.484 0.283
195 HD3 ARG 25 HD3 ARG 25 -0.571 32.793 1.079
196 HE ARG 25 HE ARG 25 -1.652 34.252 -0.293
197 HH11 ARG 25 HH11 ARG 25 -1.660 31.113 -1.799
198 HH12 ARG 25 HH12 ARG 25 -2.639 31.614 -3.138
199 HH21 ARG 25 HH21 ARG 25 -2.942 34.923 -2.051
200 HH22 ARG 25 HH22 ARG 25 -3.367 33.781 -3.280
Start of MODEL 9
1 H1 GLY 1 H GLY 1 3.329 -1.045 -1.610
2 HA2 GLY 1 HA2 GLY 1 0.824 -1.866 -0.973
3 HA3 GLY 1 HA3 GLY 1 0.971 -0.348 -0.099
4 H ALA 2 H ALA 2 -0.055 -1.717 -2.919
5 HA ALA 2 HA ALA 2 0.695 0.218 -4.844
6 HB1 ALA 2 HB1 ALA 2 -0.056 -1.902 -5.611
7 HB2 ALA 2 HB2 ALA 2 -1.589 -1.741 -4.753
8 HB3 ALA 2 HB3 ALA 2 -1.243 -0.710 -6.142
9 H TRP 3 H TRP 3 -1.863 0.062 -2.474
10 HA TRP 3 HA TRP 3 -3.638 1.944 -3.493
11 HB2 TRP 3 HB2 TRP 3 -4.414 2.238 -1.200
12 HB3 TRP 3 HB3 TRP 3 -4.094 0.535 -1.516
13 HD1 TRP 3 HD1 TRP 3 -2.173 -0.631 -0.129
14 HE1 TRP 3 HE1 TRP 3 -0.812 0.091 1.933
15 HE3 TRP 3 HE3 TRP 3 -3.352 4.344 -0.079
16 HZ2 TRP 3 HZ2 TRP 3 -0.305 2.456 3.388
17 HZ3 TRP 3 HZ3 TRP 3 -2.388 5.767 1.681
18 HH2 TRP 3 HH2 TRP 3 -0.897 4.841 3.378
19 H LYS 4 H LYS 4 -0.605 2.378 -1.782
20 HA LYS 4 HA LYS 4 -0.897 5.165 -1.306
21 HB2 LYS 4 HB2 LYS 4 0.671 3.927 0.019
22 HB3 LYS 4 HB3 LYS 4 1.527 3.368 -1.412
23 HG2 LYS 4 HG2 LYS 4 2.589 5.376 -1.732
24 HG3 LYS 4 HG3 LYS 4 1.341 6.294 -0.885
25 HD2 LYS 4 HD2 LYS 4 2.462 4.470 0.968
26 HD3 LYS 4 HD3 LYS 4 3.799 5.257 0.126
27 HE2 LYS 4 HE2 LYS 4 2.720 7.451 0.621
28 HE3 LYS 4 HE3 LYS 4 1.533 6.591 1.601
29 HZ1 LYS 4 HZ1 LYS 4 3.330 7.492 2.948
30 HZ2 LYS 4 HZ2 LYS 4 4.466 6.601 2.068
31 HZ3 LYS 4 HZ3 LYS 4 3.316 5.802 3.018
32 H ASN 5 H ASN 5 0.122 3.275 -4.032
33 HA ASN 5 HA ASN 5 1.653 5.124 -5.439
34 HB2 ASN 5 HB2 ASN 5 0.736 2.585 -5.922
35 HB3 ASN 5 HB3 ASN 5 -0.165 3.526 -7.107
36 HD21 ASN 5 HD21 ASN 5 0.816 4.088 -8.930
37 HD22 ASN 5 HD22 ASN 5 2.505 3.918 -9.250
38 H PHE 6 H PHE 6 -1.860 4.672 -5.376
39 HA PHE 6 HA PHE 6 -2.516 6.562 -7.338
40 HB2 PHE 6 HB2 PHE 6 -4.050 4.832 -6.299
41 HB3 PHE 6 HB3 PHE 6 -4.201 5.913 -4.918
42 HD1 PHE 6 HD1 PHE 6 -5.018 8.307 -5.402
43 HD2 PHE 6 HD2 PHE 6 -5.473 5.053 -8.109
44 HE1 PHE 6 HE1 PHE 6 -6.832 9.515 -6.544
45 HE2 PHE 6 HE2 PHE 6 -7.287 6.257 -9.255
46 HZ PHE 6 HZ PHE 6 -7.969 8.491 -8.474
47 H TRP 7 H TRP 7 -2.353 6.905 -3.800
48 HA TRP 7 HA TRP 7 -3.082 9.573 -3.606
49 HB2 TRP 7 HB2 TRP 7 -1.152 7.969 -1.919
50 HB3 TRP 7 HB3 TRP 7 -1.732 9.575 -1.485
51 HD1 TRP 7 HD1 TRP 7 -2.377 6.241 -0.499
52 HE1 TRP 7 HE1 TRP 7 -4.799 5.875 0.292
53 HE3 TRP 7 HE3 TRP 7 -4.515 10.451 -2.458
54 HZ2 TRP 7 HZ2 TRP 7 -7.287 7.197 0.109
55 HZ3 TRP 7 HZ3 TRP 7 -6.922 10.826 -2.105
56 HH2 TRP 7 HH2 TRP 7 -8.277 9.231 -0.848
57 H SER 8 H SER 8 0.156 8.184 -4.060
58 HA SER 8 HA SER 8 1.658 10.506 -3.969
59 HB2 SER 8 HB2 SER 8 2.315 8.391 -5.991
60 HB3 SER 8 HB3 SER 8 3.394 9.282 -4.917
61 HG SER 8 HG SER 8 2.243 6.903 -4.527
62 H SER 9 H SER 9 -0.272 9.196 -6.594
63 HA SER 9 HA SER 9 0.670 10.911 -8.632
64 HB2 SER 9 HB2 SER 9 -0.866 8.741 -8.692
65 HB3 SER 9 HB3 SER 9 -2.153 9.946 -8.685
66 HG SER 9 HG SER 9 -1.403 10.765 -10.581
67 H LEU 10 H LEU 10 -2.257 11.079 -6.608
68 HA LEU 10 HA LEU 10 -3.295 13.457 -7.568
69 HB2 LEU 10 HB2 LEU 10 -3.355 12.614 -4.680
70 HB3 LEU 10 HB3 LEU 10 -4.527 13.620 -5.530
71 HG LEU 10 HG LEU 10 -4.067 10.667 -5.948
72 HD11 LEU 10 HD11 LEU 10 -5.472 11.925 -3.951
73 HD12 LEU 10 HD12 LEU 10 -5.732 10.275 -4.517
74 HD13 LEU 10 HD13 LEU 10 -6.712 11.592 -5.161
75 HD21 LEU 10 HD21 LEU 10 -5.301 12.683 -7.617
76 HD22 LEU 10 HD22 LEU 10 -6.450 11.428 -7.151
77 HD23 LEU 10 HD23 LEU 10 -4.948 10.991 -7.966
78 H ARG 11 H ARG 11 -0.759 12.927 -5.182
79 HA ARG 11 HA ARG 11 -0.503 15.456 -4.108
80 HB2 ARG 11 HB2 ARG 11 1.677 13.480 -4.805
81 HB3 ARG 11 HB3 ARG 11 1.899 14.886 -3.772
82 HG2 ARG 11 HG2 ARG 11 -0.124 13.795 -2.465
83 HG3 ARG 11 HG3 ARG 11 0.498 12.330 -3.229
84 HD2 ARG 11 HD2 ARG 11 1.933 14.212 -1.371
85 HD3 ARG 11 HD3 ARG 11 1.566 12.507 -1.119
86 HE ARG 11 HE ARG 11 3.149 12.629 -3.377
87 HH11 ARG 11 HH11 ARG 11 3.428 13.490 -0.015
88 HH12 ARG 11 HH12 ARG 11 5.140 13.232 0.044
89 HH21 ARG 11 HH21 ARG 11 5.403 12.286 -3.312
90 HH22 ARG 11 HH22 ARG 11 6.263 12.548 -1.832
91 H LYS 12 H LYS 12 1.168 14.180 -6.987
92 HA LYS 12 HA LYS 12 2.526 16.502 -7.695
93 HB2 LYS 12 HB2 LYS 12 1.725 14.012 -9.049
94 HB3 LYS 12 HB3 LYS 12 2.001 15.377 -10.123
95 HG2 LYS 12 HG2 LYS 12 4.004 13.999 -9.827
96 HG3 LYS 12 HG3 LYS 12 4.240 15.654 -9.258
97 HD2 LYS 12 HD2 LYS 12 3.274 13.749 -7.232
98 HD3 LYS 12 HD3 LYS 12 4.902 13.441 -7.841
99 HE2 LYS 12 HE2 LYS 12 4.842 16.180 -7.425
100 HE3 LYS 12 HE3 LYS 12 3.943 15.522 -6.059
101 HZ1 LYS 12 HZ1 LYS 12 6.416 14.153 -6.706
102 HZ2 LYS 12 HZ2 LYS 12 5.774 14.575 -5.199
103 HZ3 LYS 12 HZ3 LYS 12 6.596 15.731 -6.121
104 H GLY 13 H GLY 13 -0.761 15.464 -8.475
105 HA2 GLY 13 HA2 GLY 13 -1.387 17.445 -10.353
106 HA3 GLY 13 HA3 GLY 13 -2.552 16.612 -9.335
107 H PHE 14 H PHE 14 -2.032 17.428 -6.847
108 HA PHE 14 HA PHE 14 -3.084 20.058 -6.806
109 HB2 PHE 14 HB2 PHE 14 -3.666 18.537 -5.036
110 HB3 PHE 14 HB3 PHE 14 -1.973 18.304 -4.610
111 HD1 PHE 14 HD2 PHE 14 -4.243 21.230 -5.104
112 HD2 PHE 14 HD1 PHE 14 -1.373 19.284 -2.636
113 HE1 PHE 14 HE2 PHE 14 -4.406 23.065 -3.473
114 HE2 PHE 14 HE1 PHE 14 -1.533 21.115 -1.000
115 HZ PHE 14 HZ PHE 14 -3.049 23.010 -1.419
116 H TYR 15 H TYR 15 0.134 18.759 -6.603
117 HA TYR 15 HA TYR 15 1.446 20.938 -5.414
118 HB2 TYR 15 HB2 TYR 15 2.224 18.474 -6.235
119 HB3 TYR 15 HB3 TYR 15 2.928 19.467 -7.506
120 HD1 TYR 15 HD2 TYR 15 4.096 21.707 -6.470
121 HD2 TYR 15 HD1 TYR 15 3.625 17.975 -4.482
122 HE1 TYR 15 HE2 TYR 15 5.987 22.259 -4.997
123 HE2 TYR 15 HE1 TYR 15 5.514 18.517 -3.003
124 HH TYR 15 HH TYR 15 7.608 21.167 -3.593
125 H ASP 16 H ASP 16 0.355 20.367 -8.679
126 HA ASP 16 HA ASP 16 1.555 22.922 -9.519
127 HB2 ASP 16 HB2 ASP 16 1.771 20.481 -10.738
128 HB3 ASP 16 HB3 ASP 16 0.419 21.196 -11.612
129 H GLY 17 H GLY 17 -0.975 22.477 -8.006
130 HA2 GLY 17 HA2 GLY 17 -2.856 23.626 -9.974
131 HA3 GLY 17 HA3 GLY 17 -3.355 22.654 -8.597
132 H GLU 18 H GLU 18 -2.427 23.615 -6.432
133 HA GLU 18 HA GLU 18 -3.415 26.353 -6.335
134 HB2 GLU 18 HB2 GLU 18 -4.287 24.715 -4.723
135 HB3 GLU 18 HB3 GLU 18 -2.662 24.458 -4.103
136 HG2 GLU 18 HG2 GLU 18 -2.804 26.214 -2.760
137 HG3 GLU 18 HG3 GLU 18 -3.370 27.256 -4.064
138 H ALA 19 H ALA 19 -0.572 24.537 -5.192
139 HA ALA 19 HA ALA 19 0.884 26.769 -4.298
140 HB1 ALA 19 HB1 ALA 19 2.630 24.695 -5.250
141 HB2 ALA 19 HB2 ALA 19 2.283 25.196 -3.594
142 HB3 ALA 19 HB3 ALA 19 1.260 23.996 -4.385
143 H GLY 20 H GLY 20 0.349 25.479 -7.467
144 HA2 GLY 20 HA2 GLY 20 2.596 26.438 -8.826
145 HA3 GLY 20 HA3 GLY 20 1.013 26.188 -9.546
146 H ARG 21 H ARG 21 -0.320 28.100 -7.799
147 HA ARG 21 HA ARG 21 0.336 30.487 -9.298
148 HB2 ARG 21 HB2 ARG 21 -1.999 29.947 -9.054
149 HB3 ARG 21 HB3 ARG 21 -1.847 29.872 -7.304
150 HG2 ARG 21 HG2 ARG 21 -2.935 31.925 -7.993
151 HG3 ARG 21 HG3 ARG 21 -1.377 32.268 -7.239
152 HD2 ARG 21 HD2 ARG 21 -1.642 33.651 -9.197
153 HD3 ARG 21 HD3 ARG 21 -0.372 32.462 -9.487
154 HE ARG 21 HE ARG 21 -1.634 31.598 -11.181
155 HH11 ARG 21 HH11 ARG 21 -3.687 33.503 -9.113
156 HH12 ARG 21 HH12 ARG 21 -5.071 33.371 -10.146
157 HH21 ARG 21 HH21 ARG 21 -3.450 31.416 -12.549
158 HH22 ARG 21 HH22 ARG 21 -4.935 32.182 -12.100
159 H ALA 22 H ALA 22 0.694 29.261 -6.055
160 HA ALA 22 HA ALA 22 2.478 31.440 -5.403
161 HB1 ALA 22 HB1 ALA 22 0.234 30.990 -3.474
162 HB2 ALA 22 HB2 ALA 22 1.330 32.365 -3.612
163 HB3 ALA 22 HB3 ALA 22 0.059 32.127 -4.811
164 H ILE 23 H ILE 23 4.166 30.582 -4.397
165 HA ILE 23 HA ILE 23 3.803 28.037 -2.965
166 HB ILE 23 HB ILE 23 6.365 29.196 -4.066
167 HG12 ILE 23 HG12 ILE 23 4.640 26.962 -5.157
168 HG13 ILE 23 HG13 ILE 23 4.754 28.579 -5.843
169 HG21 ILE 23 HG21 ILE 23 6.698 27.719 -2.156
170 HG22 ILE 23 HG22 ILE 23 5.740 26.468 -2.946
171 HG23 ILE 23 HG23 ILE 23 7.281 26.968 -3.641
172 HD11 ILE 23 HD11 ILE 23 6.380 27.800 -7.126
173 HD12 ILE 23 HD12 ILE 23 7.381 27.703 -5.676
174 HD13 ILE 23 HD13 ILE 23 6.467 26.294 -6.213
175 H ARG 24 H ARG 24 5.388 31.198 -2.779
176 HA ARG 24 HA ARG 24 5.668 30.794 0.127
177 HB2 ARG 24 HB2 ARG 24 7.456 32.292 -1.788
178 HB3 ARG 24 HB3 ARG 24 7.556 32.472 -0.042
179 HG2 ARG 24 HG2 ARG 24 9.123 30.870 -0.271
180 HG3 ARG 24 HG3 ARG 24 7.715 29.807 -0.211
181 HD2 ARG 24 HD2 ARG 24 8.410 28.993 -2.166
182 HD3 ARG 24 HD3 ARG 24 7.879 30.519 -2.873
183 HE ARG 24 HE ARG 24 10.541 30.642 -1.824
184 HH11 ARG 24 HH11 ARG 24 8.614 29.703 -4.568
185 HH12 ARG 24 HH12 ARG 24 9.914 29.868 -5.701
186 HH21 ARG 24 HH21 ARG 24 12.260 30.862 -3.307
187 HH22 ARG 24 HH22 ARG 24 11.987 30.526 -4.983
188 H ARG 25 H ARG 25 3.386 31.874 -1.337
189 HA ARG 25 HA ARG 25 3.242 34.460 0.027
190 HB2 ARG 25 HB2 ARG 25 2.486 34.003 -2.864
191 HB3 ARG 25 HB3 ARG 25 2.081 35.447 -1.945
192 HG2 ARG 25 HG2 ARG 25 4.384 36.037 -1.723
193 HG3 ARG 25 HG3 ARG 25 4.896 34.497 -2.418
194 HD2 ARG 25 HD2 ARG 25 5.086 36.210 -4.094
195 HD3 ARG 25 HD3 ARG 25 3.762 35.129 -4.529
196 HE ARG 25 HE ARG 25 2.609 37.189 -3.116
197 HH11 ARG 25 HH11 ARG 25 4.505 36.869 -6.018
198 HH12 ARG 25 HH12 ARG 25 3.796 38.249 -6.790
199 HH21 ARG 25 HH21 ARG 25 1.668 39.008 -4.121
200 HH22 ARG 25 HH22 ARG 25 2.183 39.465 -5.709
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.807 -3.341 -0.592
2 HA2 GLY 1 HA2 GLY 1 1.234 -1.086 -0.655
3 HA3 GLY 1 HA3 GLY 1 2.697 -0.767 -1.574
4 H ALA 2 H ALA 2 -0.027 0.198 -2.026
5 HA ALA 2 HA ALA 2 -0.121 -0.008 -4.817
6 HB1 ALA 2 HB1 ALA 2 -0.881 -2.213 -4.711
7 HB2 ALA 2 HB2 ALA 2 -1.933 -1.883 -3.334
8 HB3 ALA 2 HB3 ALA 2 -2.352 -1.265 -4.932
9 H TRP 3 H TRP 3 -1.883 0.546 -1.829
10 HA TRP 3 HA TRP 3 -3.856 2.256 -2.990
11 HB2 TRP 3 HB2 TRP 3 -4.489 2.765 -0.693
12 HB3 TRP 3 HB3 TRP 3 -4.230 1.032 -0.875
13 HD1 TRP 3 HD1 TRP 3 -2.239 -0.062 0.483
14 HE1 TRP 3 HE1 TRP 3 -0.750 0.795 2.400
15 HE3 TRP 3 HE3 TRP 3 -3.341 4.923 0.200
16 HZ2 TRP 3 HZ2 TRP 3 -0.126 3.258 3.630
17 HZ3 TRP 3 HZ3 TRP 3 -2.255 6.462 1.784
18 HH2 TRP 3 HH2 TRP 3 -0.682 5.645 3.463
19 H LYS 4 H LYS 4 -0.725 2.731 -1.469
20 HA LYS 4 HA LYS 4 -0.888 5.544 -1.201
21 HB2 LYS 4 HB2 LYS 4 0.749 4.245 0.048
22 HB3 LYS 4 HB3 LYS 4 1.519 3.730 -1.447
23 HG2 LYS 4 HG2 LYS 4 1.387 6.599 -1.321
24 HG3 LYS 4 HG3 LYS 4 2.162 5.943 0.123
25 HD2 LYS 4 HD2 LYS 4 3.022 4.702 -2.393
26 HD3 LYS 4 HD3 LYS 4 3.422 6.415 -2.248
27 HE2 LYS 4 HE2 LYS 4 4.531 5.995 -0.126
28 HE3 LYS 4 HE3 LYS 4 4.082 4.292 -0.208
29 HZ1 LYS 4 HZ1 LYS 4 5.790 3.855 -1.540
30 HZ2 LYS 4 HZ2 LYS 4 6.392 5.386 -1.147
31 HZ3 LYS 4 HZ3 LYS 4 5.470 5.174 -2.550
32 H ASN 5 H ASN 5 -0.052 3.434 -3.847
33 HA ASN 5 HA ASN 5 1.370 5.136 -5.502
34 HB2 ASN 5 HB2 ASN 5 0.098 2.623 -5.743
35 HB3 ASN 5 HB3 ASN 5 -0.490 3.611 -7.077
36 HD21 ASN 5 HD21 ASN 5 2.637 3.415 -5.418
37 HD22 ASN 5 HD22 ASN 5 3.565 3.100 -6.841
38 H PHE 6 H PHE 6 -2.160 4.684 -5.361
39 HA PHE 6 HA PHE 6 -2.898 6.500 -7.314
40 HB2 PHE 6 HB2 PHE 6 -4.329 4.868 -5.862
41 HB3 PHE 6 HB3 PHE 6 -4.501 6.254 -4.789
42 HD1 PHE 6 HD1 PHE 6 -5.048 8.517 -6.210
43 HD2 PHE 6 HD2 PHE 6 -6.068 4.532 -7.302
44 HE1 PHE 6 HE1 PHE 6 -6.883 9.373 -7.608
45 HE2 PHE 6 HE2 PHE 6 -7.904 5.381 -8.702
46 HZ PHE 6 HZ PHE 6 -8.313 7.805 -8.857
47 H TRP 7 H TRP 7 -2.395 7.085 -3.846
48 HA TRP 7 HA TRP 7 -3.051 9.803 -3.833
49 HB2 TRP 7 HB2 TRP 7 -1.173 8.206 -2.086
50 HB3 TRP 7 HB3 TRP 7 -1.582 9.891 -1.774
51 HD1 TRP 7 HD1 TRP 7 -2.477 6.742 -0.453
52 HE1 TRP 7 HE1 TRP 7 -4.885 6.673 0.454
53 HE3 TRP 7 HE3 TRP 7 -4.325 10.926 -2.737
54 HZ2 TRP 7 HZ2 TRP 7 -7.254 8.190 0.230
55 HZ3 TRP 7 HZ3 TRP 7 -6.673 11.547 -2.339
56 HH2 TRP 7 HH2 TRP 7 -8.105 10.206 -0.886
57 H SER 8 H SER 8 -0.005 8.164 -4.525
58 HA SER 8 HA SER 8 1.724 10.328 -4.550
59 HB2 SER 8 HB2 SER 8 1.791 7.618 -5.404
60 HB3 SER 8 HB3 SER 8 2.398 8.604 -6.734
61 HG SER 8 HG SER 8 4.151 8.914 -5.633
62 H SER 9 H SER 9 -0.426 9.156 -7.102
63 HA SER 9 HA SER 9 0.447 10.919 -9.121
64 HB2 SER 9 HB2 SER 9 -1.293 8.813 -9.025
65 HB3 SER 9 HB3 SER 9 -2.402 10.172 -9.197
66 HG SER 9 HG SER 9 -1.736 10.458 -11.174
67 H LEU 10 H LEU 10 -2.450 11.091 -7.044
68 HA LEU 10 HA LEU 10 -3.377 13.567 -7.855
69 HB2 LEU 10 HB2 LEU 10 -3.487 12.532 -5.030
70 HB3 LEU 10 HB3 LEU 10 -4.599 13.663 -5.798
71 HG LEU 10 HG LEU 10 -4.299 10.742 -6.497
72 HD11 LEU 10 HD11 LEU 10 -6.851 11.119 -5.625
73 HD12 LEU 10 HD12 LEU 10 -5.942 12.184 -4.553
74 HD13 LEU 10 HD13 LEU 10 -5.531 10.472 -4.649
75 HD21 LEU 10 HD21 LEU 10 -5.858 12.994 -7.671
76 HD22 LEU 10 HD22 LEU 10 -6.571 11.381 -7.646
77 HD23 LEU 10 HD23 LEU 10 -5.035 11.653 -8.469
78 H ARG 11 H ARG 11 -0.949 12.791 -5.405
79 HA ARG 11 HA ARG 11 -0.588 15.302 -4.286
80 HB2 ARG 11 HB2 ARG 11 1.230 12.956 -4.702
81 HB3 ARG 11 HB3 ARG 11 1.874 14.453 -4.041
82 HG2 ARG 11 HG2 ARG 11 0.724 14.245 -2.077
83 HG3 ARG 11 HG3 ARG 11 -0.569 13.292 -2.808
84 HD2 ARG 11 HD2 ARG 11 0.979 11.391 -3.015
85 HD3 ARG 11 HD3 ARG 11 2.236 12.348 -2.232
86 HE ARG 11 HE ARG 11 0.080 10.976 -0.959
87 HH11 ARG 11 HH11 ARG 11 2.182 13.741 -0.725
88 HH12 ARG 11 HH12 ARG 11 2.053 13.857 0.999
89 HH21 ARG 11 HH21 ARG 11 -0.097 11.118 1.311
90 HH22 ARG 11 HH22 ARG 11 0.757 12.364 2.156
91 H LYS 12 H LYS 12 1.406 13.870 -6.878
92 HA LYS 12 HA LYS 12 2.869 16.136 -7.512
93 HB2 LYS 12 HB2 LYS 12 2.220 13.594 -8.838
94 HB3 LYS 12 HB3 LYS 12 2.621 14.902 -9.943
95 HG2 LYS 12 HG2 LYS 12 4.594 13.617 -9.405
96 HG3 LYS 12 HG3 LYS 12 4.734 15.250 -8.752
97 HD2 LYS 12 HD2 LYS 12 3.537 13.271 -6.934
98 HD3 LYS 12 HD3 LYS 12 5.231 12.988 -7.342
99 HE2 LYS 12 HE2 LYS 12 5.182 15.682 -6.846
100 HE3 LYS 12 HE3 LYS 12 4.012 15.065 -5.681
101 HZ1 LYS 12 HZ1 LYS 12 5.733 13.453 -4.968
102 HZ2 LYS 12 HZ2 LYS 12 6.155 15.064 -4.673
103 HZ3 LYS 12 HZ3 LYS 12 6.846 14.234 -5.975
104 H GLY 13 H GLY 13 -0.399 15.279 -8.378
105 HA2 GLY 13 HA2 GLY 13 -0.699 17.149 -10.506
106 HA3 GLY 13 HA3 GLY 13 -2.001 16.362 -9.627
107 H PHE 14 H PHE 14 -1.856 17.232 -7.133
108 HA PHE 14 HA PHE 14 -2.805 19.895 -7.302
109 HB2 PHE 14 HB2 PHE 14 -3.683 18.380 -5.624
110 HB3 PHE 14 HB3 PHE 14 -2.088 18.203 -4.901
111 HD1 PHE 14 HD2 PHE 14 -1.131 19.973 -3.547
112 HD2 PHE 14 HD1 PHE 14 -5.010 20.355 -5.257
113 HE1 PHE 14 HE2 PHE 14 -1.603 21.864 -2.046
114 HE2 PHE 14 HE1 PHE 14 -5.487 22.248 -3.759
115 HZ PHE 14 HZ PHE 14 -3.783 23.004 -2.150
116 H TYR 15 H TYR 15 0.295 18.500 -6.593
117 HA TYR 15 HA TYR 15 1.536 20.535 -5.183
118 HB2 TYR 15 HB2 TYR 15 2.366 18.162 -6.105
119 HB3 TYR 15 HB3 TYR 15 3.118 19.195 -7.315
120 HD1 TYR 15 HD2 TYR 15 4.365 21.321 -6.243
121 HD2 TYR 15 HD1 TYR 15 3.623 17.637 -4.248
122 HE1 TYR 15 HE2 TYR 15 6.217 21.793 -4.695
123 HE2 TYR 15 HE1 TYR 15 5.472 18.099 -2.694
124 HH TYR 15 HH TYR 15 6.650 20.302 -1.838
125 H ASP 16 H ASP 16 0.776 20.314 -8.590
126 HA ASP 16 HA ASP 16 2.043 22.936 -9.027
127 HB2 ASP 16 HB2 ASP 16 1.342 20.742 -10.986
128 HB3 ASP 16 HB3 ASP 16 1.915 22.338 -11.463
129 H GLY 17 H GLY 17 -0.619 22.380 -7.834
130 HA2 GLY 17 HA2 GLY 17 -2.321 23.658 -9.881
131 HA3 GLY 17 HA3 GLY 17 -2.928 22.645 -8.579
132 H GLU 18 H GLU 18 -1.968 23.562 -6.330
133 HA GLU 18 HA GLU 18 -3.088 26.245 -6.163
134 HB2 GLU 18 HB2 GLU 18 -3.463 24.122 -4.575
135 HB3 GLU 18 HB3 GLU 18 -2.093 24.842 -3.741
136 HG2 GLU 18 HG2 GLU 18 -3.942 26.909 -4.319
137 HG3 GLU 18 HG3 GLU 18 -4.829 25.561 -3.609
138 H ALA 19 H ALA 19 -0.105 24.538 -5.273
139 HA ALA 19 HA ALA 19 1.215 26.936 -4.407
140 HB1 ALA 19 HB1 ALA 19 1.823 24.077 -4.502
141 HB2 ALA 19 HB2 ALA 19 3.218 25.120 -4.785
142 HB3 ALA 19 HB3 ALA 19 2.270 25.295 -3.308
143 H GLY 20 H GLY 20 0.841 25.241 -7.403
144 HA2 GLY 20 HA2 GLY 20 3.133 26.140 -8.765
145 HA3 GLY 20 HA3 GLY 20 1.623 25.653 -9.521
146 H ARG 21 H ARG 21 0.173 27.761 -7.949
147 HA ARG 21 HA ARG 21 0.337 29.814 -9.911
148 HB2 ARG 21 HB2 ARG 21 -1.673 29.066 -8.428
149 HB3 ARG 21 HB3 ARG 21 -1.001 30.188 -7.253
150 HG2 ARG 21 HG2 ARG 21 -1.131 31.976 -8.974
151 HG3 ARG 21 HG3 ARG 21 -1.958 30.831 -10.031
152 HD2 ARG 21 HD2 ARG 21 -3.894 31.256 -9.031
153 HD3 ARG 21 HD3 ARG 21 -3.213 30.813 -7.467
154 HE ARG 21 HE ARG 21 -2.436 33.439 -8.220
155 HH11 ARG 21 HH11 ARG 21 -5.106 31.589 -6.966
156 HH12 ARG 21 HH12 ARG 21 -5.814 32.932 -6.132
157 HH21 ARG 21 HH21 ARG 21 -3.360 35.215 -7.126
158 HH22 ARG 21 HH22 ARG 21 -4.821 34.995 -6.225
159 H ALA 22 H ALA 22 1.464 29.506 -6.578
160 HA ALA 22 HA ALA 22 3.577 31.349 -6.960
161 HB1 ALA 22 HB1 ALA 22 2.650 32.971 -5.147
162 HB2 ALA 22 HB2 ALA 22 2.158 33.161 -6.831
163 HB3 ALA 22 HB3 ALA 22 1.079 32.371 -5.681
164 H ILE 23 H ILE 23 5.099 30.421 -5.770
165 HA ILE 23 HA ILE 23 4.437 28.815 -3.467
166 HB ILE 23 HB ILE 23 7.186 29.545 -4.475
167 HG12 ILE 23 HG12 ILE 23 5.461 27.167 -5.201
168 HG13 ILE 23 HG13 ILE 23 5.838 28.518 -6.265
169 HG21 ILE 23 HG21 ILE 23 6.863 28.564 -2.147
170 HG22 ILE 23 HG22 ILE 23 6.364 27.084 -2.964
171 HG23 ILE 23 HG23 ILE 23 7.986 27.728 -3.219
172 HD11 ILE 23 HD11 ILE 23 8.286 27.867 -5.890
173 HD12 ILE 23 HD12 ILE 23 7.638 26.346 -5.277
174 HD13 ILE 23 HD13 ILE 23 7.297 26.846 -6.933
175 H ARG 24 H ARG 24 6.476 31.687 -4.029
176 HA ARG 24 HA ARG 24 5.978 32.468 -1.236
177 HB2 ARG 24 HB2 ARG 24 8.324 33.473 -1.306
178 HB3 ARG 24 HB3 ARG 24 8.211 31.723 -1.175
179 HG2 ARG 24 HG2 ARG 24 8.343 32.695 -3.927
180 HG3 ARG 24 HG3 ARG 24 9.765 33.078 -2.955
181 HD2 ARG 24 HD2 ARG 24 8.563 30.322 -3.131
182 HD3 ARG 24 HD3 ARG 24 9.852 30.888 -4.194
183 HE ARG 24 HE ARG 24 10.659 31.327 -1.561
184 HH11 ARG 24 HH11 ARG 24 9.945 28.660 -3.681
185 HH12 ARG 24 HH12 ARG 24 11.039 27.571 -2.893
186 HH21 ARG 24 HH21 ARG 24 12.103 29.904 -0.516
187 HH22 ARG 24 HH22 ARG 24 12.265 28.279 -1.092
188 H ARG 25 H ARG 25 4.674 33.265 -3.738
189 HA ARG 25 HA ARG 25 3.941 35.133 -4.813
190 HB2 ARG 25 HB2 ARG 25 4.744 36.151 -2.114
191 HB3 ARG 25 HB3 ARG 25 4.239 37.294 -3.351
192 HG2 ARG 25 HG2 ARG 25 2.502 34.944 -2.817
193 HG3 ARG 25 HG3 ARG 25 2.527 36.261 -1.642
194 HD2 ARG 25 HD2 ARG 25 2.090 37.828 -3.569
195 HD3 ARG 25 HD3 ARG 25 1.802 36.399 -4.561
196 HE ARG 25 HE ARG 25 0.218 36.317 -2.217
197 HH11 ARG 25 HH11 ARG 25 0.467 37.899 -5.308
198 HH12 ARG 25 HH12 ARG 25 -1.233 38.207 -5.433
199 HH21 ARG 25 HH21 ARG 25 -2.022 36.717 -2.371
200 HH22 ARG 25 HH22 ARG 25 -2.648 37.535 -3.762
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.170 -0.809 0.241
2 HA2 GLY 1 HA2 GLY 1 3.125 -0.160 -1.749
3 HA3 GLY 1 HA3 GLY 1 3.548 -1.860 -1.892
4 H ALA 2 H ALA 2 0.623 0.154 -2.241
5 HA ALA 2 HA ALA 2 0.295 -0.316 -4.982
6 HB1 ALA 2 HB1 ALA 2 -1.907 -1.835 -3.916
7 HB2 ALA 2 HB2 ALA 2 -0.746 -2.269 -5.171
8 HB3 ALA 2 HB3 ALA 2 -0.365 -2.570 -3.475
9 H TRP 3 H TRP 3 -1.236 0.289 -1.879
10 HA TRP 3 HA TRP 3 -3.438 1.744 -3.059
11 HB2 TRP 3 HB2 TRP 3 -4.120 2.166 -0.738
12 HB3 TRP 3 HB3 TRP 3 -3.785 0.457 -1.001
13 HD1 TRP 3 HD1 TRP 3 -1.872 -0.640 0.414
14 HE1 TRP 3 HE1 TRP 3 -0.394 0.192 2.350
15 HE3 TRP 3 HE3 TRP 3 -2.919 4.357 0.144
16 HZ2 TRP 3 HZ2 TRP 3 0.244 2.643 3.598
17 HZ3 TRP 3 HZ3 TRP 3 -1.834 5.877 1.746
18 HH2 TRP 3 HH2 TRP 3 -0.286 5.036 3.436
19 H LYS 4 H LYS 4 -0.342 2.445 -1.600
20 HA LYS 4 HA LYS 4 -0.781 5.235 -1.225
21 HB2 LYS 4 HB2 LYS 4 0.951 3.953 -0.006
22 HB3 LYS 4 HB3 LYS 4 1.829 3.733 -1.514
23 HG2 LYS 4 HG2 LYS 4 1.252 6.522 -1.024
24 HG3 LYS 4 HG3 LYS 4 2.142 5.792 0.314
25 HD2 LYS 4 HD2 LYS 4 3.657 4.816 -1.546
26 HD3 LYS 4 HD3 LYS 4 2.936 6.066 -2.563
27 HE2 LYS 4 HE2 LYS 4 4.243 7.626 -1.667
28 HE3 LYS 4 HE3 LYS 4 3.742 7.177 -0.038
29 HZ1 LYS 4 HZ1 LYS 4 5.772 5.618 -1.517
30 HZ2 LYS 4 HZ2 LYS 4 5.473 5.646 0.147
31 HZ3 LYS 4 HZ3 LYS 4 6.194 6.979 -0.604
32 H ASN 5 H ASN 5 0.197 3.259 -3.907
33 HA ASN 5 HA ASN 5 1.527 5.105 -5.502
34 HB2 ASN 5 HB2 ASN 5 -0.013 2.616 -5.989
35 HB3 ASN 5 HB3 ASN 5 0.245 3.665 -7.380
36 HD21 ASN 5 HD21 ASN 5 1.798 1.754 -4.905
37 HD22 ASN 5 HD22 ASN 5 3.325 1.611 -5.701
38 H PHE 6 H PHE 6 -1.949 4.471 -5.214
39 HA PHE 6 HA PHE 6 -2.823 6.223 -7.213
40 HB2 PHE 6 HB2 PHE 6 -4.178 4.470 -5.945
41 HB3 PHE 6 HB3 PHE 6 -4.339 5.668 -4.666
42 HD1 PHE 6 HD1 PHE 6 -5.239 8.004 -5.435
43 HD2 PHE 6 HD2 PHE 6 -5.775 4.376 -7.595
44 HE1 PHE 6 HE1 PHE 6 -7.173 8.986 -6.597
45 HE2 PHE 6 HE2 PHE 6 -7.709 5.353 -8.761
46 HZ PHE 6 HZ PHE 6 -8.410 7.661 -8.264
47 H TRP 7 H TRP 7 -2.496 6.768 -3.710
48 HA TRP 7 HA TRP 7 -3.335 9.406 -3.619
49 HB2 TRP 7 HB2 TRP 7 -1.265 7.964 -1.957
50 HB3 TRP 7 HB3 TRP 7 -1.849 9.584 -1.584
51 HD1 TRP 7 HD1 TRP 7 -2.371 6.307 -0.364
52 HE1 TRP 7 HE1 TRP 7 -4.736 5.950 0.587
53 HE3 TRP 7 HE3 TRP 7 -4.702 10.352 -2.447
54 HZ2 TRP 7 HZ2 TRP 7 -7.256 7.216 0.470
55 HZ3 TRP 7 HZ3 TRP 7 -7.091 10.707 -1.978
56 HH2 TRP 7 HH2 TRP 7 -8.340 9.170 -0.550
57 H SER 8 H SER 8 -0.180 8.085 -4.461
58 HA SER 8 HA SER 8 1.280 10.477 -4.476
59 HB2 SER 8 HB2 SER 8 1.912 7.873 -4.891
60 HB3 SER 8 HB3 SER 8 1.982 8.482 -6.545
61 HG SER 8 HG SER 8 3.685 8.908 -4.460
62 H SER 9 H SER 9 -0.670 8.923 -6.978
63 HA SER 9 HA SER 9 0.005 10.615 -9.109
64 HB2 SER 9 HB2 SER 9 -1.310 8.410 -9.168
65 HB3 SER 9 HB3 SER 9 -2.724 9.380 -8.756
66 HG SER 9 HG SER 9 -2.609 9.231 -10.976
67 H LEU 10 H LEU 10 -2.670 10.803 -6.777
68 HA LEU 10 HA LEU 10 -3.847 13.136 -7.806
69 HB2 LEU 10 HB2 LEU 10 -3.843 12.286 -4.919
70 HB3 LEU 10 HB3 LEU 10 -5.045 13.275 -5.745
71 HG LEU 10 HG LEU 10 -4.539 10.359 -6.332
72 HD11 LEU 10 HD11 LEU 10 -5.757 11.449 -4.079
73 HD12 LEU 10 HD12 LEU 10 -5.885 9.790 -4.662
74 HD13 LEU 10 HD13 LEU 10 -7.088 10.987 -5.140
75 HD21 LEU 10 HD21 LEU 10 -5.670 12.184 -7.962
76 HD22 LEU 10 HD22 LEU 10 -7.079 11.678 -7.030
77 HD23 LEU 10 HD23 LEU 10 -6.134 10.483 -7.919
78 H ARG 11 H ARG 11 -1.257 12.641 -5.473
79 HA ARG 11 HA ARG 11 -1.045 15.230 -4.464
80 HB2 ARG 11 HB2 ARG 11 0.776 12.902 -4.719
81 HB3 ARG 11 HB3 ARG 11 1.532 14.462 -4.425
82 HG2 ARG 11 HG2 ARG 11 0.151 14.750 -2.425
83 HG3 ARG 11 HG3 ARG 11 -0.588 13.174 -2.718
84 HD2 ARG 11 HD2 ARG 11 1.101 12.829 -1.096
85 HD3 ARG 11 HD3 ARG 11 1.734 12.199 -2.616
86 HE ARG 11 HE ARG 11 3.406 13.740 -2.486
87 HH11 ARG 11 HH11 ARG 11 0.755 14.813 -0.501
88 HH12 ARG 11 HH12 ARG 11 1.610 16.183 0.129
89 HH21 ARG 11 HH21 ARG 11 4.542 15.540 -1.665
90 HH22 ARG 11 HH22 ARG 11 3.764 16.595 -0.535
91 H LYS 12 H LYS 12 0.698 13.769 -7.208
92 HA LYS 12 HA LYS 12 2.175 15.975 -7.989
93 HB2 LYS 12 HB2 LYS 12 1.222 13.504 -9.280
94 HB3 LYS 12 HB3 LYS 12 1.598 14.816 -10.389
95 HG2 LYS 12 HG2 LYS 12 3.518 13.374 -10.081
96 HG3 LYS 12 HG3 LYS 12 3.842 14.983 -9.431
97 HD2 LYS 12 HD2 LYS 12 2.709 13.045 -7.523
98 HD3 LYS 12 HD3 LYS 12 4.337 12.680 -8.101
99 HE2 LYS 12 HE2 LYS 12 4.149 15.466 -7.478
100 HE3 LYS 12 HE3 LYS 12 3.563 14.523 -6.108
101 HZ1 LYS 12 HZ1 LYS 12 6.197 14.234 -7.448
102 HZ2 LYS 12 HZ2 LYS 12 5.634 13.230 -6.209
103 HZ3 LYS 12 HZ3 LYS 12 5.917 14.871 -5.906
104 H GLY 13 H GLY 13 -1.204 15.240 -8.553
105 HA2 GLY 13 HA2 GLY 13 -1.675 17.169 -10.572
106 HA3 GLY 13 HA3 GLY 13 -2.895 16.444 -9.536
107 H PHE 14 H PHE 14 -2.465 17.283 -7.094
108 HA PHE 14 HA PHE 14 -3.255 19.995 -7.135
109 HB2 PHE 14 HB2 PHE 14 -3.904 18.338 -5.380
110 HB3 PHE 14 HB3 PHE 14 -2.257 18.408 -4.762
111 HD1 PHE 14 HD1 PHE 14 -1.418 20.458 -3.702
112 HD2 PHE 14 HD2 PHE 14 -5.471 20.075 -4.943
113 HE1 PHE 14 HE1 PHE 14 -2.026 22.384 -2.296
114 HE2 PHE 14 HE2 PHE 14 -6.086 22.001 -3.540
115 HZ PHE 14 HZ PHE 14 -4.363 23.158 -2.215
116 H TYR 15 H TYR 15 -0.173 18.438 -6.863
117 HA TYR 15 HA TYR 15 1.350 20.364 -5.581
118 HB2 TYR 15 HB2 TYR 15 1.919 17.984 -6.683
119 HB3 TYR 15 HB3 TYR 15 2.574 19.032 -7.937
120 HD1 TYR 15 HD2 TYR 15 4.124 20.980 -7.036
121 HD2 TYR 15 HD1 TYR 15 3.295 17.377 -4.930
122 HE1 TYR 15 HE2 TYR 15 6.175 21.288 -5.714
123 HE2 TYR 15 HE1 TYR 15 5.343 17.676 -3.601
124 HH TYR 15 HH TYR 15 6.880 19.358 -2.940
125 H ASP 16 H ASP 16 0.068 20.328 -8.821
126 HA ASP 16 HA ASP 16 1.468 22.850 -9.408
127 HB2 ASP 16 HB2 ASP 16 1.331 20.593 -10.946
128 HB3 ASP 16 HB3 ASP 16 0.006 21.548 -11.604
129 H GLY 17 H GLY 17 -0.976 22.482 -7.756
130 HA2 GLY 17 HA2 GLY 17 -2.887 24.005 -9.415
131 HA3 GLY 17 HA3 GLY 17 -3.344 22.993 -8.053
132 H GLU 18 H GLU 18 -1.885 23.717 -6.001
133 HA GLU 18 HA GLU 18 -2.698 26.476 -5.546
134 HB2 GLU 18 HB2 GLU 18 -3.293 24.714 -3.908
135 HB3 GLU 18 HB3 GLU 18 -1.582 24.446 -3.604
136 HG2 GLU 18 HG2 GLU 18 -1.991 27.191 -3.256
137 HG3 GLU 18 HG3 GLU 18 -3.353 26.395 -2.470
138 H ALA 19 H ALA 19 0.224 24.478 -5.194
139 HA ALA 19 HA ALA 19 1.903 26.700 -4.552
140 HB1 ALA 19 HB1 ALA 19 3.569 24.677 -5.441
141 HB2 ALA 19 HB2 ALA 19 3.069 24.970 -3.774
142 HB3 ALA 19 HB3 ALA 19 2.176 23.824 -4.774
143 H GLY 20 H GLY 20 0.819 25.216 -7.486
144 HA2 GLY 20 HA2 GLY 20 2.900 26.020 -9.213
145 HA3 GLY 20 HA3 GLY 20 1.250 25.656 -9.697
146 H ARG 21 H ARG 21 -0.021 27.674 -8.124
147 HA ARG 21 HA ARG 21 0.363 29.904 -9.898
148 HB2 ARG 21 HB2 ARG 21 -1.883 29.236 -9.157
149 HB3 ARG 21 HB3 ARG 21 -1.446 29.602 -7.494
150 HG2 ARG 21 HG2 ARG 21 -2.709 31.432 -8.272
151 HG3 ARG 21 HG3 ARG 21 -1.029 31.969 -8.243
152 HD2 ARG 21 HD2 ARG 21 -1.592 32.714 -10.315
153 HD3 ARG 21 HD3 ARG 21 -1.109 31.074 -10.743
154 HE ARG 21 HE ARG 21 -3.267 30.655 -11.346
155 HH11 ARG 21 HH11 ARG 21 -3.219 33.422 -9.234
156 HH12 ARG 21 HH12 ARG 21 -4.908 33.759 -9.424
157 HH21 ARG 21 HH21 ARG 21 -5.491 31.089 -11.604
158 HH22 ARG 21 HH22 ARG 21 -6.199 32.432 -10.771
159 H ALA 22 H ALA 22 1.306 29.054 -6.664
160 HA ALA 22 HA ALA 22 3.240 31.091 -6.499
161 HB1 ALA 22 HB1 ALA 22 0.922 32.275 -6.121
162 HB2 ALA 22 HB2 ALA 22 1.117 31.638 -4.487
163 HB3 ALA 22 HB3 ALA 22 2.337 32.716 -5.165
164 H ILE 23 H ILE 23 4.755 29.953 -5.489
165 HA ILE 23 HA ILE 23 4.180 27.833 -3.680
166 HB ILE 23 HB ILE 23 6.840 29.205 -4.059
167 HG12 ILE 23 HG12 ILE 23 5.671 26.887 -5.615
168 HG13 ILE 23 HG13 ILE 23 5.870 28.525 -6.230
169 HG21 ILE 23 HG21 ILE 23 6.482 27.593 -2.134
170 HG22 ILE 23 HG22 ILE 23 6.299 26.334 -3.354
171 HG23 ILE 23 HG23 ILE 23 7.815 27.225 -3.229
172 HD11 ILE 23 HD11 ILE 23 7.711 27.476 -7.095
173 HD12 ILE 23 HD12 ILE 23 8.370 28.143 -5.601
174 HD13 ILE 23 HD13 ILE 23 7.921 26.440 -5.684
175 H ARG 24 H ARG 24 5.188 31.187 -3.299
176 HA ARG 24 HA ARG 24 4.827 30.890 -0.389
177 HB2 ARG 24 HB2 ARG 24 6.835 32.486 -1.953
178 HB3 ARG 24 HB3 ARG 24 6.388 32.959 -0.319
179 HG2 ARG 24 HG2 ARG 24 8.088 31.634 0.278
180 HG3 ARG 24 HG3 ARG 24 6.922 30.330 0.040
181 HD2 ARG 24 HD2 ARG 24 8.977 29.792 -1.104
182 HD3 ARG 24 HD3 ARG 24 7.706 30.097 -2.287
183 HE ARG 24 HE ARG 24 8.874 31.928 -3.031
184 HH11 ARG 24 HH11 ARG 24 10.208 30.850 -0.001
185 HH12 ARG 24 HH12 ARG 24 11.589 31.892 -0.089
186 HH21 ARG 24 HH21 ARG 24 10.688 33.305 -3.158
187 HH22 ARG 24 HH22 ARG 24 11.861 33.289 -1.884
188 H ARG 25 H ARG 25 4.982 33.510 -2.811
189 HA ARG 25 HA ARG 25 3.110 35.122 -1.382
190 HB2 ARG 25 HB2 ARG 25 4.353 35.328 -4.119
191 HB3 ARG 25 HB3 ARG 25 3.164 36.489 -3.543
192 HG2 ARG 25 HG2 ARG 25 5.746 35.881 -2.122
193 HG3 ARG 25 HG3 ARG 25 5.529 37.206 -3.267
194 HD2 ARG 25 HD2 ARG 25 4.108 36.806 -0.640
195 HD3 ARG 25 HD3 ARG 25 5.276 38.065 -1.041
196 HE ARG 25 HE ARG 25 2.476 38.022 -1.694
197 HH11 ARG 25 HH11 ARG 25 5.601 39.300 -2.545
198 HH12 ARG 25 HH12 ARG 25 4.957 40.699 -3.339
199 HH21 ARG 25 HH21 ARG 25 1.617 39.861 -2.736
200 HH22 ARG 25 HH22 ARG 25 2.691 41.017 -3.446
Start of MODEL 12
1 H1 GLY 1 H GLY 1 5.029 -0.671 -1.595
2 HA2 GLY 1 HA2 GLY 1 3.146 -1.901 -1.078
3 HA3 GLY 1 HA3 GLY 1 2.502 -0.324 -0.645
4 H ALA 2 H ALA 2 0.846 0.484 -1.791
5 HA ALA 2 HA ALA 2 0.336 0.024 -4.506
6 HB1 ALA 2 HB1 ALA 2 -0.716 -1.925 -4.609
7 HB2 ALA 2 HB2 ALA 2 -0.359 -2.183 -2.901
8 HB3 ALA 2 HB3 ALA 2 -1.867 -1.404 -3.378
9 H TRP 3 H TRP 3 -0.982 0.684 -1.318
10 HA TRP 3 HA TRP 3 -3.238 2.160 -2.316
11 HB2 TRP 3 HB2 TRP 3 -3.665 2.701 0.026
12 HB3 TRP 3 HB3 TRP 3 -3.320 0.983 -0.151
13 HD1 TRP 3 HD1 TRP 3 -1.138 0.041 1.011
14 HE1 TRP 3 HE1 TRP 3 0.483 1.029 2.750
15 HE3 TRP 3 HE3 TRP 3 -2.568 4.943 0.760
16 HZ2 TRP 3 HZ2 TRP 3 1.077 3.552 3.867
17 HZ3 TRP 3 HZ3 TRP 3 -1.424 6.580 2.197
18 HH2 TRP 3 HH2 TRP 3 0.360 5.897 3.718
19 H LYS 4 H LYS 4 -0.025 2.915 -1.097
20 HA LYS 4 HA LYS 4 -0.393 5.723 -0.925
21 HB2 LYS 4 HB2 LYS 4 1.469 4.214 0.088
22 HB3 LYS 4 HB3 LYS 4 2.268 4.438 -1.463
23 HG2 LYS 4 HG2 LYS 4 1.364 6.958 -0.394
24 HG3 LYS 4 HG3 LYS 4 2.398 6.108 0.756
25 HD2 LYS 4 HD2 LYS 4 4.089 5.826 -1.021
26 HD3 LYS 4 HD3 LYS 4 3.062 6.754 -2.117
27 HE2 LYS 4 HE2 LYS 4 4.348 8.466 -1.384
28 HE3 LYS 4 HE3 LYS 4 3.177 8.472 -0.066
29 HZ1 LYS 4 HZ1 LYS 4 5.958 7.564 -0.077
30 HZ2 LYS 4 HZ2 LYS 4 4.870 6.751 0.930
31 HZ3 LYS 4 HZ3 LYS 4 5.106 8.417 1.110
32 H ASN 5 H ASN 5 0.433 3.551 -3.523
33 HA ASN 5 HA ASN 5 1.623 5.264 -5.341
34 HB2 ASN 5 HB2 ASN 5 0.849 2.667 -5.409
35 HB3 ASN 5 HB3 ASN 5 -0.360 3.382 -6.472
36 HD21 ASN 5 HD21 ASN 5 1.498 1.549 -7.367
37 HD22 ASN 5 HD22 ASN 5 2.585 2.331 -8.458
38 H PHE 6 H PHE 6 -1.821 4.734 -4.710
39 HA PHE 6 HA PHE 6 -2.825 6.356 -6.768
40 HB2 PHE 6 HB2 PHE 6 -4.069 4.696 -5.229
41 HB3 PHE 6 HB3 PHE 6 -4.194 6.047 -4.107
42 HD1 PHE 6 HD1 PHE 6 -5.051 8.297 -5.284
43 HD2 PHE 6 HD2 PHE 6 -5.840 4.336 -6.629
44 HE1 PHE 6 HE1 PHE 6 -7.045 9.104 -6.478
45 HE2 PHE 6 HE2 PHE 6 -7.835 5.137 -7.826
46 HZ PHE 6 HZ PHE 6 -8.439 7.523 -7.752
47 H TRP 7 H TRP 7 -2.202 7.108 -3.347
48 HA TRP 7 HA TRP 7 -3.009 9.772 -3.384
49 HB2 TRP 7 HB2 TRP 7 -0.904 8.377 -1.727
50 HB3 TRP 7 HB3 TRP 7 -1.417 10.037 -1.438
51 HD1 TRP 7 HD1 TRP 7 -1.978 6.878 0.036
52 HE1 TRP 7 HE1 TRP 7 -4.305 6.665 1.115
53 HE3 TRP 7 HE3 TRP 7 -4.289 10.834 -2.231
54 HZ2 TRP 7 HZ2 TRP 7 -6.792 7.997 1.017
55 HZ3 TRP 7 HZ3 TRP 7 -6.643 11.297 -1.684
56 HH2 TRP 7 HH2 TRP 7 -7.867 9.906 -0.094
57 H SER 8 H SER 8 0.075 8.313 -4.266
58 HA SER 8 HA SER 8 1.591 10.654 -4.510
59 HB2 SER 8 HB2 SER 8 2.089 7.981 -4.838
60 HB3 SER 8 HB3 SER 8 2.186 8.567 -6.498
61 HG SER 8 HG SER 8 4.085 8.680 -4.799
62 H SER 9 H SER 9 -0.619 9.073 -6.743
63 HA SER 9 HA SER 9 0.027 10.595 -9.032
64 HB2 SER 9 HB2 SER 9 -2.558 9.198 -8.298
65 HB3 SER 9 HB3 SER 9 -2.164 9.819 -9.901
66 HG SER 9 HG SER 9 -1.689 7.463 -9.194
67 H LEU 10 H LEU 10 -2.583 10.950 -6.638
68 HA LEU 10 HA LEU 10 -3.761 13.239 -7.716
69 HB2 LEU 10 HB2 LEU 10 -3.577 12.620 -4.779
70 HB3 LEU 10 HB3 LEU 10 -4.835 13.529 -5.614
71 HG LEU 10 HG LEU 10 -4.342 10.557 -5.770
72 HD11 LEU 10 HD11 LEU 10 -6.884 11.829 -4.886
73 HD12 LEU 10 HD12 LEU 10 -5.529 11.755 -3.760
74 HD13 LEU 10 HD13 LEU 10 -6.187 10.270 -4.446
75 HD21 LEU 10 HD21 LEU 10 -5.329 10.618 -7.759
76 HD22 LEU 10 HD22 LEU 10 -5.640 12.348 -7.619
77 HD23 LEU 10 HD23 LEU 10 -6.788 11.188 -6.950
78 H ARG 11 H ARG 11 -1.023 12.868 -5.534
79 HA ARG 11 HA ARG 11 -0.709 15.499 -4.700
80 HB2 ARG 11 HB2 ARG 11 0.576 13.606 -3.792
81 HB3 ARG 11 HB3 ARG 11 1.459 13.482 -5.307
82 HG2 ARG 11 HG2 ARG 11 2.290 15.802 -4.929
83 HG3 ARG 11 HG3 ARG 11 1.536 15.750 -3.334
84 HD2 ARG 11 HD2 ARG 11 3.155 13.405 -3.809
85 HD3 ARG 11 HD3 ARG 11 4.095 14.883 -4.019
86 HE ARG 11 HE ARG 11 2.766 15.281 -1.682
87 HH11 ARG 11 HH11 ARG 11 4.843 12.765 -2.898
88 HH12 ARG 11 HH12 ARG 11 5.467 12.346 -1.337
89 HH21 ARG 11 HH21 ARG 11 3.580 14.738 0.379
90 HH22 ARG 11 HH22 ARG 11 4.747 13.468 0.526
91 H LYS 12 H LYS 12 0.750 13.891 -7.524
92 HA LYS 12 HA LYS 12 2.163 16.055 -8.536
93 HB2 LYS 12 HB2 LYS 12 1.053 13.546 -9.663
94 HB3 LYS 12 HB3 LYS 12 1.477 14.802 -10.819
95 HG2 LYS 12 HG2 LYS 12 3.302 13.212 -10.464
96 HG3 LYS 12 HG3 LYS 12 3.748 14.851 -9.985
97 HD2 LYS 12 HD2 LYS 12 2.580 13.228 -7.838
98 HD3 LYS 12 HD3 LYS 12 4.118 12.623 -8.459
99 HE2 LYS 12 HE2 LYS 12 4.225 15.477 -8.116
100 HE3 LYS 12 HE3 LYS 12 3.708 14.700 -6.620
101 HZ1 LYS 12 HZ1 LYS 12 5.923 13.394 -7.924
102 HZ2 LYS 12 HZ2 LYS 12 5.721 13.818 -6.299
103 HZ3 LYS 12 HZ3 LYS 12 6.267 14.969 -7.411
104 H GLY 13 H GLY 13 -1.244 15.248 -8.831
105 HA2 GLY 13 HA2 GLY 13 -1.887 17.089 -10.880
106 HA3 GLY 13 HA3 GLY 13 -3.019 16.398 -9.727
107 H PHE 14 H PHE 14 -2.354 17.349 -7.353
108 HA PHE 14 HA PHE 14 -3.227 20.035 -7.435
109 HB2 PHE 14 HB2 PHE 14 -3.592 18.386 -5.551
110 HB3 PHE 14 HB3 PHE 14 -1.917 18.661 -5.085
111 HD1 PHE 14 HD1 PHE 14 -1.221 20.782 -4.134
112 HD2 PHE 14 HD2 PHE 14 -5.280 20.062 -5.192
113 HE1 PHE 14 HE1 PHE 14 -1.909 22.736 -2.806
114 HE2 PHE 14 HE2 PHE 14 -5.975 22.015 -3.867
115 HZ PHE 14 HZ PHE 14 -4.289 23.355 -2.672
116 H TYR 15 H TYR 15 -0.087 18.573 -7.410
117 HA TYR 15 HA TYR 15 1.495 20.605 -6.383
118 HB2 TYR 15 HB2 TYR 15 2.027 18.182 -7.406
119 HB3 TYR 15 HB3 TYR 15 2.521 19.172 -8.775
120 HD1 TYR 15 HD1 TYR 15 4.082 21.218 -8.132
121 HD2 TYR 15 HD2 TYR 15 3.600 17.702 -5.786
122 HE1 TYR 15 HE1 TYR 15 6.243 21.656 -7.042
123 HE2 TYR 15 HE2 TYR 15 5.759 18.130 -4.689
124 HH TYR 15 HH TYR 15 8.014 19.598 -5.577
125 H ASP 16 H ASP 16 -0.129 20.376 -9.450
126 HA ASP 16 HA ASP 16 1.147 22.881 -10.324
127 HB2 ASP 16 HB2 ASP 16 -0.077 20.590 -11.829
128 HB3 ASP 16 HB3 ASP 16 0.036 22.181 -12.576
129 H GLY 17 H GLY 17 -1.091 22.567 -8.394
130 HA2 GLY 17 HA2 GLY 17 -3.210 23.958 -9.909
131 HA3 GLY 17 HA3 GLY 17 -3.486 23.025 -8.445
132 H GLU 18 H GLU 18 -1.814 23.899 -6.624
133 HA GLU 18 HA GLU 18 -2.644 26.661 -6.234
134 HB2 GLU 18 HB2 GLU 18 -2.880 24.830 -4.474
135 HB3 GLU 18 HB3 GLU 18 -1.136 24.935 -4.277
136 HG2 GLU 18 HG2 GLU 18 -1.955 26.293 -2.593
137 HG3 GLU 18 HG3 GLU 18 -1.532 27.434 -3.868
138 H ALA 19 H ALA 19 0.365 24.765 -6.092
139 HA ALA 19 HA ALA 19 2.047 27.039 -5.782
140 HB1 ALA 19 HB1 ALA 19 3.512 24.890 -6.915
141 HB2 ALA 19 HB2 ALA 19 3.495 25.450 -5.242
142 HB3 ALA 19 HB3 ALA 19 2.350 24.217 -5.770
143 H GLY 20 H GLY 20 0.625 25.447 -8.508
144 HA2 GLY 20 HA2 GLY 20 2.411 26.175 -10.537
145 HA3 GLY 20 HA3 GLY 20 0.690 25.895 -10.757
146 H ARG 21 H ARG 21 0.116 28.085 -8.774
147 HA ARG 21 HA ARG 21 0.521 30.319 -10.646
148 HB2 ARG 21 HB2 ARG 21 -1.826 29.688 -10.261
149 HB3 ARG 21 HB3 ARG 21 -1.612 29.953 -8.535
150 HG2 ARG 21 HG2 ARG 21 -1.272 32.299 -8.874
151 HG3 ARG 21 HG3 ARG 21 -1.265 32.088 -10.626
152 HD2 ARG 21 HD2 ARG 21 -3.409 32.935 -9.983
153 HD3 ARG 21 HD3 ARG 21 -3.604 31.251 -10.468
154 HE ARG 21 HE ARG 21 -3.200 31.386 -7.686
155 HH11 ARG 21 HH11 ARG 21 -5.584 32.140 -10.108
156 HH12 ARG 21 HH12 ARG 21 -6.929 31.935 -9.035
157 HH21 ARG 21 HH21 ARG 21 -4.962 31.114 -6.263
158 HH22 ARG 21 HH22 ARG 21 -6.574 31.353 -6.848
159 H ALA 22 H ALA 22 0.900 29.261 -7.344
160 HA ALA 22 HA ALA 22 2.914 31.126 -6.765
161 HB1 ALA 22 HB1 ALA 22 1.283 32.178 -4.862
162 HB2 ALA 22 HB2 ALA 22 1.661 32.951 -6.402
163 HB3 ALA 22 HB3 ALA 22 0.174 32.019 -6.224
164 H ILE 23 H ILE 23 4.130 30.016 -5.396
165 HA ILE 23 HA ILE 23 3.114 27.832 -3.870
166 HB ILE 23 HB ILE 23 5.814 29.145 -3.575
167 HG12 ILE 23 HG12 ILE 23 6.166 26.885 -5.120
168 HG13 ILE 23 HG13 ILE 23 4.673 27.563 -5.759
169 HG21 ILE 23 HG21 ILE 23 5.105 26.262 -3.131
170 HG22 ILE 23 HG22 ILE 23 6.535 27.140 -2.593
171 HG23 ILE 23 HG23 ILE 23 4.969 27.468 -1.852
172 HD11 ILE 23 HD11 ILE 23 6.001 28.812 -7.031
173 HD12 ILE 23 HD12 ILE 23 6.290 29.761 -5.572
174 HD13 ILE 23 HD13 ILE 23 7.417 28.485 -6.032
175 H ARG 24 H ARG 24 4.588 30.938 -2.918
176 HA ARG 24 HA ARG 24 3.102 30.747 -0.381
177 HB2 ARG 24 HB2 ARG 24 5.946 31.120 -0.866
178 HB3 ARG 24 HB3 ARG 24 5.271 32.416 0.113
179 HG2 ARG 24 HG2 ARG 24 6.164 30.602 1.482
180 HG3 ARG 24 HG3 ARG 24 4.426 30.804 1.713
181 HD2 ARG 24 HD2 ARG 24 3.978 28.752 0.945
182 HD3 ARG 24 HD3 ARG 24 5.086 28.929 -0.416
183 HE ARG 24 HE ARG 24 6.658 28.580 1.830
184 HH11 ARG 24 HH11 ARG 24 4.227 26.785 0.102
185 HH12 ARG 24 HH12 ARG 24 4.871 25.238 0.541
186 HH21 ARG 24 HH21 ARG 24 7.516 26.549 2.415
187 HH22 ARG 24 HH22 ARG 24 6.742 25.105 1.857
188 H ARG 25 H ARG 25 4.865 33.128 -2.374
189 HA ARG 25 HA ARG 25 3.450 35.367 -1.442
190 HB2 ARG 25 HB2 ARG 25 4.716 35.105 -4.169
191 HB3 ARG 25 HB3 ARG 25 4.457 36.578 -3.244
192 HG2 ARG 25 HG2 ARG 25 5.995 35.351 -1.495
193 HG3 ARG 25 HG3 ARG 25 6.535 34.481 -2.933
194 HD2 ARG 25 HD2 ARG 25 7.961 36.199 -3.167
195 HD3 ARG 25 HD3 ARG 25 6.561 37.046 -3.824
196 HE ARG 25 HE ARG 25 6.612 37.342 -1.025
197 HH11 ARG 25 HH11 ARG 25 8.304 38.381 -3.884
198 HH12 ARG 25 HH12 ARG 25 8.822 39.882 -3.191
199 HH21 ARG 25 HH21 ARG 25 7.287 39.315 -0.101
200 HH22 ARG 25 HH22 ARG 25 8.244 40.412 -1.038
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.583 -2.901 -1.529
2 HA2 GLY 1 HA2 GLY 1 2.283 -1.002 -1.989
3 HA3 GLY 1 HA3 GLY 1 3.159 -2.286 -2.808
4 H ALA 2 H ALA 2 0.286 -0.283 -2.858
5 HA ALA 2 HA ALA 2 0.225 -0.085 -5.651
6 HB1 ALA 2 HB1 ALA 2 -1.517 -2.215 -4.474
7 HB2 ALA 2 HB2 ALA 2 -2.017 -1.345 -5.925
8 HB3 ALA 2 HB3 ALA 2 -0.513 -2.265 -5.923
9 H TRP 3 H TRP 3 -1.578 0.004 -2.637
10 HA TRP 3 HA TRP 3 -3.583 1.813 -3.554
11 HB2 TRP 3 HB2 TRP 3 -4.185 2.026 -1.190
12 HB3 TRP 3 HB3 TRP 3 -3.943 0.335 -1.622
13 HD1 TRP 3 HD1 TRP 3 -2.072 -0.985 -0.356
14 HE1 TRP 3 HE1 TRP 3 -0.501 -0.411 1.601
15 HE3 TRP 3 HE3 TRP 3 -2.830 4.067 -0.162
16 HZ2 TRP 3 HZ2 TRP 3 0.308 1.880 3.037
17 HZ3 TRP 3 HZ3 TRP 3 -1.619 5.377 1.533
18 HH2 TRP 3 HH2 TRP 3 -0.083 4.304 3.099
19 H LYS 4 H LYS 4 -0.409 2.158 -2.133
20 HA LYS 4 HA LYS 4 -0.641 4.910 -1.451
21 HB2 LYS 4 HB2 LYS 4 1.050 3.377 -0.473
22 HB3 LYS 4 HB3 LYS 4 1.857 3.309 -2.034
23 HG2 LYS 4 HG2 LYS 4 1.413 6.017 -1.002
24 HG3 LYS 4 HG3 LYS 4 2.500 5.018 -0.035
25 HD2 LYS 4 HD2 LYS 4 3.653 4.467 -2.262
26 HD3 LYS 4 HD3 LYS 4 2.763 5.847 -2.910
27 HE2 LYS 4 HE2 LYS 4 3.741 7.172 -0.962
28 HE3 LYS 4 HE3 LYS 4 4.836 5.810 -0.733
29 HZ1 LYS 4 HZ1 LYS 4 6.115 6.619 -2.327
30 HZ2 LYS 4 HZ2 LYS 4 5.062 7.924 -2.550
31 HZ3 LYS 4 HZ3 LYS 4 4.850 6.504 -3.444
32 H ASN 5 H ASN 5 0.068 3.194 -4.379
33 HA ASN 5 HA ASN 5 1.452 5.142 -5.818
34 HB2 ASN 5 HB2 ASN 5 -0.480 3.008 -6.736
35 HB3 ASN 5 HB3 ASN 5 0.455 4.006 -7.846
36 HD21 ASN 5 HD21 ASN 5 2.498 3.463 -8.289
37 HD22 ASN 5 HD22 ASN 5 3.357 2.161 -7.546
38 H PHE 6 H PHE 6 -2.038 4.613 -5.474
39 HA PHE 6 HA PHE 6 -2.915 6.590 -7.238
40 HB2 PHE 6 HB2 PHE 6 -4.285 4.781 -6.050
41 HB3 PHE 6 HB3 PHE 6 -4.347 5.886 -4.681
42 HD1 PHE 6 HD2 PHE 6 -5.106 8.349 -5.331
43 HD2 PHE 6 HD1 PHE 6 -6.017 4.830 -7.546
44 HE1 PHE 6 HE2 PHE 6 -7.040 9.488 -6.339
45 HE2 PHE 6 HE1 PHE 6 -7.952 5.964 -8.558
46 HZ PHE 6 HZ PHE 6 -8.466 8.295 -7.954
47 H TRP 7 H TRP 7 -2.207 6.782 -3.768
48 HA TRP 7 HA TRP 7 -2.977 9.438 -3.364
49 HB2 TRP 7 HB2 TRP 7 -0.897 7.741 -1.979
50 HB3 TRP 7 HB3 TRP 7 -1.347 9.353 -1.428
51 HD1 TRP 7 HD1 TRP 7 -1.998 6.033 -0.434
52 HE1 TRP 7 HE1 TRP 7 -4.320 5.731 0.633
53 HE3 TRP 7 HE3 TRP 7 -4.206 10.348 -2.061
54 HZ2 TRP 7 HZ2 TRP 7 -6.765 7.135 0.767
55 HZ3 TRP 7 HZ3 TRP 7 -6.540 10.793 -1.420
56 HH2 TRP 7 HH2 TRP 7 -7.791 9.218 -0.036
57 H SER 8 H SER 8 0.046 8.061 -4.533
58 HA SER 8 HA SER 8 1.647 10.348 -4.414
59 HB2 SER 8 HB2 SER 8 1.742 8.118 -6.461
60 HB3 SER 8 HB3 SER 8 3.045 9.254 -6.110
61 HG SER 8 HG SER 8 2.586 8.331 -3.814
62 H SER 9 H SER 9 -0.546 9.206 -6.946
63 HA SER 9 HA SER 9 0.066 11.123 -8.891
64 HB2 SER 9 HB2 SER 9 -1.921 9.084 -8.495
65 HB3 SER 9 HB3 SER 9 -2.696 10.548 -9.101
66 HG SER 9 HG SER 9 -1.553 10.425 -10.923
67 H LEU 10 H LEU 10 -2.558 11.125 -6.480
68 HA LEU 10 HA LEU 10 -3.663 13.592 -7.077
69 HB2 LEU 10 HB2 LEU 10 -3.375 12.481 -4.295
70 HB3 LEU 10 HB3 LEU 10 -4.625 13.570 -4.893
71 HG LEU 10 HG LEU 10 -4.278 10.671 -5.657
72 HD11 LEU 10 HD11 LEU 10 -5.259 11.552 -3.330
73 HD12 LEU 10 HD12 LEU 10 -5.885 10.130 -4.163
74 HD13 LEU 10 HD13 LEU 10 -6.713 11.679 -4.321
75 HD21 LEU 10 HD21 LEU 10 -6.809 11.773 -6.359
76 HD22 LEU 10 HD22 LEU 10 -5.583 11.059 -7.407
77 HD23 LEU 10 HD23 LEU 10 -5.540 12.786 -7.046
78 H ARG 11 H ARG 11 -0.988 12.831 -4.875
79 HA ARG 11 HA ARG 11 -0.551 15.334 -3.786
80 HB2 ARG 11 HB2 ARG 11 1.179 12.973 -4.342
81 HB3 ARG 11 HB3 ARG 11 1.969 14.482 -3.904
82 HG2 ARG 11 HG2 ARG 11 0.927 14.538 -1.796
83 HG3 ARG 11 HG3 ARG 11 -0.234 13.290 -2.252
84 HD2 ARG 11 HD2 ARG 11 2.014 11.913 -2.635
85 HD3 ARG 11 HD3 ARG 11 2.602 13.046 -1.419
86 HE ARG 11 HE ARG 11 0.887 10.828 -0.983
87 HH11 ARG 11 HH11 ARG 11 1.508 14.089 0.066
88 HH12 ARG 11 HH12 ARG 11 0.858 13.841 1.653
89 HH21 ARG 11 HH21 ARG 11 0.028 10.489 1.103
90 HH22 ARG 11 HH22 ARG 11 0.017 11.793 2.241
91 H LYS 12 H LYS 12 1.127 13.966 -6.624
92 HA LYS 12 HA LYS 12 2.511 16.259 -7.363
93 HB2 LYS 12 HB2 LYS 12 1.721 13.741 -8.673
94 HB3 LYS 12 HB3 LYS 12 2.032 15.077 -9.774
95 HG2 LYS 12 HG2 LYS 12 4.022 13.715 -9.417
96 HG3 LYS 12 HG3 LYS 12 4.252 15.366 -8.837
97 HD2 LYS 12 HD2 LYS 12 3.220 13.459 -6.844
98 HD3 LYS 12 HD3 LYS 12 4.863 13.147 -7.409
99 HE2 LYS 12 HE2 LYS 12 5.205 15.689 -6.978
100 HE3 LYS 12 HE3 LYS 12 3.772 15.528 -5.964
101 HZ1 LYS 12 HZ1 LYS 12 4.870 14.277 -4.447
102 HZ2 LYS 12 HZ2 LYS 12 6.196 15.150 -5.031
103 HZ3 LYS 12 HZ3 LYS 12 5.911 13.577 -5.583
104 H GLY 13 H GLY 13 -0.818 15.353 -7.930
105 HA2 GLY 13 HA2 GLY 13 -1.394 17.219 -9.976
106 HA3 GLY 13 HA3 GLY 13 -2.571 16.468 -8.909
107 H PHE 14 H PHE 14 -2.045 17.386 -6.474
108 HA PHE 14 HA PHE 14 -3.005 20.047 -6.555
109 HB2 PHE 14 HB2 PHE 14 -3.541 18.473 -4.730
110 HB3 PHE 14 HB3 PHE 14 -1.858 18.512 -4.213
111 HD1 PHE 14 HD2 PHE 14 -0.906 20.600 -3.278
112 HD2 PHE 14 HD1 PHE 14 -5.055 20.189 -4.136
113 HE1 PHE 14 HE2 PHE 14 -1.392 22.538 -1.843
114 HE2 PHE 14 HE1 PHE 14 -5.547 22.127 -2.703
115 HZ PHE 14 HZ PHE 14 -3.715 23.304 -1.553
116 H TYR 15 H TYR 15 0.172 18.660 -6.285
117 HA TYR 15 HA TYR 15 1.591 20.775 -5.168
118 HB2 TYR 15 HB2 TYR 15 2.277 18.326 -6.056
119 HB3 TYR 15 HB3 TYR 15 2.905 19.300 -7.380
120 HD1 TYR 15 HD2 TYR 15 4.322 21.409 -6.589
121 HD2 TYR 15 HD1 TYR 15 3.670 17.904 -4.266
122 HE1 TYR 15 HE2 TYR 15 6.331 21.919 -5.265
123 HE2 TYR 15 HE1 TYR 15 5.676 18.406 -2.934
124 HH TYR 15 HH TYR 15 7.562 19.675 -2.852
125 H ASP 16 H ASP 16 0.226 20.414 -8.332
126 HA ASP 16 HA ASP 16 1.516 22.924 -9.178
127 HB2 ASP 16 HB2 ASP 16 0.342 20.716 -10.882
128 HB3 ASP 16 HB3 ASP 16 1.043 22.211 -11.496
129 H GLY 17 H GLY 17 -0.652 23.079 -7.469
130 HA2 GLY 17 HA2 GLY 17 -2.668 24.255 -9.266
131 HA3 GLY 17 HA3 GLY 17 -3.176 23.199 -7.956
132 H GLU 18 H GLU 18 -1.874 23.931 -5.802
133 HA GLU 18 HA GLU 18 -2.880 26.602 -5.298
134 HB2 GLU 18 HB2 GLU 18 -2.295 24.238 -3.722
135 HB3 GLU 18 HB3 GLU 18 -1.623 25.683 -2.981
136 HG2 GLU 18 HG2 GLU 18 -4.496 25.210 -3.737
137 HG3 GLU 18 HG3 GLU 18 -3.821 25.284 -2.110
138 H ALA 19 H ALA 19 0.214 24.914 -4.744
139 HA ALA 19 HA ALA 19 1.662 27.269 -4.137
140 HB1 ALA 19 HB1 ALA 19 3.318 25.158 -5.217
141 HB2 ALA 19 HB2 ALA 19 3.266 25.829 -3.586
142 HB3 ALA 19 HB3 ALA 19 2.155 24.539 -4.045
143 H GLY 20 H GLY 20 0.760 25.750 -7.115
144 HA2 GLY 20 HA2 GLY 20 2.764 26.768 -8.808
145 HA3 GLY 20 HA3 GLY 20 1.147 26.298 -9.310
146 H ARG 21 H ARG 21 -0.128 28.237 -7.498
147 HA ARG 21 HA ARG 21 0.171 30.567 -9.228
148 HB2 ARG 21 HB2 ARG 21 -2.087 29.723 -8.876
149 HB3 ARG 21 HB3 ARG 21 -1.903 29.892 -7.135
150 HG2 ARG 21 HG2 ARG 21 -3.216 31.714 -7.932
151 HG3 ARG 21 HG3 ARG 21 -1.634 32.341 -7.463
152 HD2 ARG 21 HD2 ARG 21 -2.478 33.269 -9.605
153 HD3 ARG 21 HD3 ARG 21 -0.930 32.438 -9.756
154 HE ARG 21 HE ARG 21 -3.091 30.682 -10.307
155 HH11 ARG 21 HH11 ARG 21 -1.228 33.290 -11.666
156 HH12 ARG 21 HH12 ARG 21 -1.506 32.808 -13.307
157 HH21 ARG 21 HH21 ARG 21 -3.465 30.037 -12.463
158 HH22 ARG 21 HH22 ARG 21 -2.780 30.958 -13.759
159 H ALA 22 H ALA 22 0.605 29.584 -5.897
160 HA ALA 22 HA ALA 22 2.178 31.966 -5.395
161 HB1 ALA 22 HB1 ALA 22 0.327 31.567 -3.186
162 HB2 ALA 22 HB2 ALA 22 0.801 33.051 -4.014
163 HB3 ALA 22 HB3 ALA 22 -0.480 32.040 -4.682
164 H ILE 23 H ILE 23 4.005 31.059 -4.708
165 HA ILE 23 HA ILE 23 3.973 28.606 -3.166
166 HB ILE 23 HB ILE 23 6.364 30.276 -3.941
167 HG12 ILE 23 HG12 ILE 23 5.131 27.929 -5.400
168 HG13 ILE 23 HG13 ILE 23 5.050 29.607 -5.925
169 HG21 ILE 23 HG21 ILE 23 7.673 28.369 -3.471
170 HG22 ILE 23 HG22 ILE 23 6.573 28.548 -2.105
171 HG23 ILE 23 HG23 ILE 23 6.252 27.332 -3.341
172 HD11 ILE 23 HD11 ILE 23 7.090 27.661 -6.381
173 HD12 ILE 23 HD12 ILE 23 6.919 29.283 -7.054
174 HD13 ILE 23 HD13 ILE 23 7.765 29.047 -5.525
175 H ARG 24 H ARG 24 5.498 31.804 -2.715
176 HA ARG 24 HA ARG 24 5.092 31.472 0.185
177 HB2 ARG 24 HB2 ARG 24 7.173 32.909 0.424
178 HB3 ARG 24 HB3 ARG 24 7.425 31.263 -0.141
179 HG2 ARG 24 HG2 ARG 24 7.047 33.268 -2.255
180 HG3 ARG 24 HG3 ARG 24 8.510 33.450 -1.285
181 HD2 ARG 24 HD2 ARG 24 7.709 30.816 -2.486
182 HD3 ARG 24 HD3 ARG 24 8.655 32.001 -3.385
183 HE ARG 24 HE ARG 24 9.930 31.627 -0.951
184 HH11 ARG 24 HH11 ARG 24 9.114 29.738 -3.759
185 HH12 ARG 24 HH12 ARG 24 10.473 28.675 -3.601
186 HH21 ARG 24 HH21 ARG 24 11.723 30.233 -0.731
187 HH22 ARG 24 HH22 ARG 24 11.955 28.957 -1.877
188 H ARG 25 H ARG 25 3.445 32.805 -1.896
189 HA ARG 25 HA ARG 25 3.233 35.393 -0.550
190 HB2 ARG 25 HB2 ARG 25 3.020 36.614 -2.626
191 HB3 ARG 25 HB3 ARG 25 4.553 35.753 -2.618
192 HG2 ARG 25 HG2 ARG 25 3.544 33.997 -4.022
193 HG3 ARG 25 HG3 ARG 25 2.051 34.936 -4.078
194 HD2 ARG 25 HD2 ARG 25 4.754 35.777 -5.117
195 HD3 ARG 25 HD3 ARG 25 3.348 35.329 -6.082
196 HE ARG 25 HE ARG 25 2.727 37.483 -4.350
197 HH11 ARG 25 HH11 ARG 25 4.435 36.718 -7.286
198 HH12 ARG 25 HH12 ARG 25 4.258 38.306 -7.957
199 HH21 ARG 25 HH21 ARG 25 2.488 39.577 -5.222
200 HH22 ARG 25 HH22 ARG 25 3.152 39.932 -6.781
Start of MODEL 14
1 H1 GLY 1 H GLY 1 5.973 -0.292 -2.415
2 HA2 GLY 1 HA2 GLY 1 4.094 -1.597 -1.226
3 HA3 GLY 1 HA3 GLY 1 3.445 0.010 -0.936
4 H ALA 2 H ALA 2 1.893 0.569 -2.293
5 HA ALA 2 HA ALA 2 2.123 0.528 -5.084
6 HB1 ALA 2 HB1 ALA 2 1.626 -2.003 -4.179
7 HB2 ALA 2 HB2 ALA 2 0.006 -1.413 -4.551
8 HB3 ALA 2 HB3 ALA 2 1.254 -1.406 -5.796
9 H TRP 3 H TRP 3 -0.002 0.454 -2.288
10 HA TRP 3 HA TRP 3 -2.201 1.732 -3.599
11 HB2 TRP 3 HB2 TRP 3 -3.179 1.900 -1.373
12 HB3 TRP 3 HB3 TRP 3 -2.495 0.294 -1.610
13 HD1 TRP 3 HD1 TRP 3 -0.461 -0.414 -0.074
14 HE1 TRP 3 HE1 TRP 3 0.568 0.611 2.050
15 HE3 TRP 3 HE3 TRP 3 -2.676 4.190 -0.241
16 HZ2 TRP 3 HZ2 TRP 3 0.455 3.049 3.468
17 HZ3 TRP 3 HZ3 TRP 3 -2.163 5.811 1.538
18 HH2 TRP 3 HH2 TRP 3 -0.630 5.250 3.354
19 H LYS 4 H LYS 4 0.541 2.802 -1.680
20 HA LYS 4 HA LYS 4 -0.334 5.481 -1.332
21 HB2 LYS 4 HB2 LYS 4 1.350 4.558 0.136
22 HB3 LYS 4 HB3 LYS 4 2.423 4.249 -1.223
23 HG2 LYS 4 HG2 LYS 4 2.757 6.591 -1.578
24 HG3 LYS 4 HG3 LYS 4 1.526 6.994 -0.379
25 HD2 LYS 4 HD2 LYS 4 3.980 5.401 0.315
26 HD3 LYS 4 HD3 LYS 4 3.962 7.166 0.353
27 HE2 LYS 4 HE2 LYS 4 1.657 6.227 1.722
28 HE3 LYS 4 HE3 LYS 4 3.052 5.335 2.327
29 HZ1 LYS 4 HZ1 LYS 4 3.028 8.287 2.091
30 HZ2 LYS 4 HZ2 LYS 4 4.119 7.321 2.950
31 HZ3 LYS 4 HZ3 LYS 4 2.524 7.482 3.491
32 H ASN 5 H ASN 5 1.272 3.783 -3.900
33 HA ASN 5 HA ASN 5 2.522 5.850 -5.260
34 HB2 ASN 5 HB2 ASN 5 1.669 3.154 -5.846
35 HB3 ASN 5 HB3 ASN 5 1.401 4.198 -7.239
36 HD21 ASN 5 HD21 ASN 5 3.548 2.187 -5.859
37 HD22 ASN 5 HD22 ASN 5 5.018 2.810 -6.519
38 H PHE 6 H PHE 6 -0.840 4.733 -5.525
39 HA PHE 6 HA PHE 6 -1.669 6.480 -7.537
40 HB2 PHE 6 HB2 PHE 6 -2.929 4.493 -6.544
41 HB3 PHE 6 HB3 PHE 6 -3.429 5.586 -5.257
42 HD1 PHE 6 HD1 PHE 6 -4.477 7.858 -6.110
43 HD2 PHE 6 HD2 PHE 6 -4.307 4.249 -8.360
44 HE1 PHE 6 HE1 PHE 6 -6.349 8.641 -7.501
45 HE2 PHE 6 HE2 PHE 6 -6.178 5.027 -9.755
46 HZ PHE 6 HZ PHE 6 -7.201 7.226 -9.327
47 H TRP 7 H TRP 7 -1.862 6.862 -4.005
48 HA TRP 7 HA TRP 7 -3.066 9.368 -3.945
49 HB2 TRP 7 HB2 TRP 7 -1.088 8.119 -2.030
50 HB3 TRP 7 HB3 TRP 7 -1.975 9.604 -1.694
51 HD1 TRP 7 HD1 TRP 7 -2.152 6.177 -0.769
52 HE1 TRP 7 HE1 TRP 7 -4.547 5.420 -0.209
53 HE3 TRP 7 HE3 TRP 7 -4.741 10.037 -2.897
54 HZ2 TRP 7 HZ2 TRP 7 -7.185 6.337 -0.617
55 HZ3 TRP 7 HZ3 TRP 7 -7.198 10.021 -2.768
56 HH2 TRP 7 HH2 TRP 7 -8.393 8.209 -1.652
57 H SER 8 H SER 8 0.340 8.494 -4.261
58 HA SER 8 HA SER 8 1.449 11.048 -3.983
59 HB2 SER 8 HB2 SER 8 2.455 8.538 -4.408
60 HB3 SER 8 HB3 SER 8 2.776 9.314 -5.958
61 HG SER 8 HG SER 8 4.474 9.990 -4.874
62 H SER 9 H SER 9 0.047 9.420 -6.769
63 HA SER 9 HA SER 9 0.865 11.281 -8.727
64 HB2 SER 9 HB2 SER 9 -1.730 9.854 -9.057
65 HB3 SER 9 HB3 SER 9 -0.401 10.053 -10.200
66 HG SER 9 HG SER 9 -0.261 7.971 -9.594
67 H LEU 10 H LEU 10 -2.152 10.980 -6.874
68 HA LEU 10 HA LEU 10 -3.491 13.160 -8.010
69 HB2 LEU 10 HB2 LEU 10 -3.744 12.184 -5.172
70 HB3 LEU 10 HB3 LEU 10 -4.945 13.083 -6.096
71 HG LEU 10 HG LEU 10 -4.032 10.287 -6.761
72 HD11 LEU 10 HD11 LEU 10 -5.409 9.503 -5.215
73 HD12 LEU 10 HD12 LEU 10 -6.742 10.435 -5.896
74 HD13 LEU 10 HD13 LEU 10 -5.708 11.150 -4.659
75 HD21 LEU 10 HD21 LEU 10 -5.838 12.250 -8.012
76 HD22 LEU 10 HD22 LEU 10 -6.460 10.603 -7.891
77 HD23 LEU 10 HD23 LEU 10 -4.938 10.913 -8.728
78 H ARG 11 H ARG 11 -1.497 12.984 -5.069
79 HA ARG 11 HA ARG 11 -1.736 15.594 -4.202
80 HB2 ARG 11 HB2 ARG 11 0.485 13.585 -4.018
81 HB3 ARG 11 HB3 ARG 11 0.710 15.211 -3.388
82 HG2 ARG 11 HG2 ARG 11 -0.698 14.883 -1.646
83 HG3 ARG 11 HG3 ARG 11 -1.738 13.782 -2.551
84 HD2 ARG 11 HD2 ARG 11 -0.779 12.187 -1.298
85 HD3 ARG 11 HD3 ARG 11 0.573 12.355 -2.418
86 HE ARG 11 HE ARG 11 1.806 13.245 -0.716
87 HH11 ARG 11 HH11 ARG 11 -1.567 13.455 0.118
88 HH12 ARG 11 HH12 ARG 11 -1.268 14.028 1.725
89 HH21 ARG 11 HH21 ARG 11 2.213 14.000 1.397
90 HH22 ARG 11 HH22 ARG 11 0.882 14.339 2.451
91 H LYS 12 H LYS 12 0.752 14.286 -6.393
92 HA LYS 12 HA LYS 12 2.053 16.702 -6.920
93 HB2 LYS 12 HB2 LYS 12 1.965 14.020 -8.112
94 HB3 LYS 12 HB3 LYS 12 2.361 15.297 -9.255
95 HG2 LYS 12 HG2 LYS 12 4.370 14.329 -8.305
96 HG3 LYS 12 HG3 LYS 12 4.201 16.018 -7.821
97 HD2 LYS 12 HD2 LYS 12 2.981 14.071 -5.987
98 HD3 LYS 12 HD3 LYS 12 4.738 13.972 -6.117
99 HE2 LYS 12 HE2 LYS 12 4.442 16.634 -5.902
100 HE3 LYS 12 HE3 LYS 12 3.027 16.104 -4.994
101 HZ1 LYS 12 HZ1 LYS 12 5.756 16.083 -4.223
102 HZ2 LYS 12 HZ2 LYS 12 5.112 14.522 -4.130
103 HZ3 LYS 12 HZ3 LYS 12 4.380 15.790 -3.284
104 H GLY 13 H GLY 13 -0.824 15.275 -8.338
105 HA2 GLY 13 HA2 GLY 13 -1.026 16.958 -10.594
106 HA3 GLY 13 HA3 GLY 13 -2.355 16.087 -9.843
107 H PHE 14 H PHE 14 -2.634 17.185 -7.421
108 HA PHE 14 HA PHE 14 -3.893 19.658 -7.987
109 HB2 PHE 14 HB2 PHE 14 -4.526 17.956 -6.189
110 HB3 PHE 14 HB3 PHE 14 -3.221 18.644 -5.228
111 HD1 PHE 14 HD1 PHE 14 -3.326 21.058 -4.581
112 HD2 PHE 14 HD2 PHE 14 -6.618 19.013 -6.342
113 HE1 PHE 14 HE1 PHE 14 -4.846 22.817 -3.775
114 HE2 PHE 14 HE2 PHE 14 -8.143 20.769 -5.540
115 HZ PHE 14 HZ PHE 14 -7.258 22.674 -4.255
116 H TYR 15 H TYR 15 -0.747 18.794 -6.804
117 HA TYR 15 HA TYR 15 0.010 21.148 -5.521
118 HB2 TYR 15 HB2 TYR 15 1.239 18.797 -5.996
119 HB3 TYR 15 HB3 TYR 15 2.066 19.802 -7.180
120 HD1 TYR 15 HD1 TYR 15 2.928 22.123 -6.225
121 HD2 TYR 15 HD2 TYR 15 2.118 18.677 -3.864
122 HE1 TYR 15 HE1 TYR 15 4.407 22.990 -4.462
123 HE2 TYR 15 HE2 TYR 15 3.594 19.535 -2.095
124 HH TYR 15 HH TYR 15 5.600 22.346 -2.577
125 H ASP 16 H ASP 16 -0.381 20.443 -8.892
126 HA ASP 16 HA ASP 16 0.864 23.000 -9.625
127 HB2 ASP 16 HB2 ASP 16 0.280 20.479 -11.142
128 HB3 ASP 16 HB3 ASP 16 0.468 22.001 -12.009
129 H GLY 17 H GLY 17 -1.719 22.860 -8.330
130 HA2 GLY 17 HA2 GLY 17 -3.356 24.023 -10.495
131 HA3 GLY 17 HA3 GLY 17 -4.059 22.961 -9.285
132 H GLU 18 H GLU 18 -3.180 23.786 -6.939
133 HA GLU 18 HA GLU 18 -4.353 26.438 -6.708
134 HB2 GLU 18 HB2 GLU 18 -4.936 24.410 -5.232
135 HB3 GLU 18 HB3 GLU 18 -3.409 24.727 -4.421
136 HG2 GLU 18 HG2 GLU 18 -4.141 26.883 -3.721
137 HG3 GLU 18 HG3 GLU 18 -5.592 26.772 -4.716
138 H ALA 19 H ALA 19 -1.313 24.779 -6.038
139 HA ALA 19 HA ALA 19 -0.076 27.143 -4.935
140 HB1 ALA 19 HB1 ALA 19 1.502 24.765 -5.794
141 HB2 ALA 19 HB2 ALA 19 1.709 25.809 -4.387
142 HB3 ALA 19 HB3 ALA 19 0.407 24.620 -4.418
143 H GLY 20 H GLY 20 -0.397 25.647 -8.041
144 HA2 GLY 20 HA2 GLY 20 1.861 26.640 -9.356
145 HA3 GLY 20 HA3 GLY 20 0.326 26.272 -10.127
146 H ARG 21 H ARG 21 -1.314 28.141 -8.864
147 HA ARG 21 HA ARG 21 -0.868 30.419 -10.440
148 HB2 ARG 21 HB2 ARG 21 -2.724 31.426 -9.195
149 HB3 ARG 21 HB3 ARG 21 -3.093 29.772 -9.664
150 HG2 ARG 21 HG2 ARG 21 -3.615 29.347 -7.558
151 HG3 ARG 21 HG3 ARG 21 -1.924 29.605 -7.125
152 HD2 ARG 21 HD2 ARG 21 -2.941 31.133 -5.754
153 HD3 ARG 21 HD3 ARG 21 -2.630 32.133 -7.172
154 HE ARG 21 HE ARG 21 -5.178 30.920 -7.362
155 HH11 ARG 21 HH11 ARG 21 -3.464 33.443 -5.683
156 HH12 ARG 21 HH12 ARG 21 -4.878 34.410 -5.423
157 HH21 ARG 21 HH21 ARG 21 -7.047 32.184 -7.026
158 HH22 ARG 21 HH22 ARG 21 -6.916 33.692 -6.187
159 H ALA 22 H ALA 22 0.194 29.575 -7.250
160 HA ALA 22 HA ALA 22 2.073 31.685 -7.150
161 HB1 ALA 22 HB1 ALA 22 -0.133 32.869 -6.648
162 HB2 ALA 22 HB2 ALA 22 -0.097 32.017 -5.103
163 HB3 ALA 22 HB3 ALA 22 1.203 33.130 -5.526
164 H ILE 23 H ILE 23 3.656 30.415 -6.401
165 HA ILE 23 HA ILE 23 3.135 28.501 -4.274
166 HB ILE 23 HB ILE 23 5.743 29.064 -5.686
167 HG12 ILE 23 HG12 ILE 23 3.690 26.919 -6.272
168 HG13 ILE 23 HG13 ILE 23 3.945 28.361 -7.249
169 HG21 ILE 23 HG21 ILE 23 6.300 26.768 -4.904
170 HG22 ILE 23 HG22 ILE 23 6.089 27.937 -3.601
171 HG23 ILE 23 HG23 ILE 23 4.810 26.777 -3.961
172 HD11 ILE 23 HD11 ILE 23 5.053 26.556 -8.314
173 HD12 ILE 23 HD12 ILE 23 6.294 27.592 -7.608
174 HD13 ILE 23 HD13 ILE 23 5.851 26.081 -6.815
175 H ARG 24 H ARG 24 5.503 31.108 -4.854
176 HA ARG 24 HA ARG 24 5.507 31.614 -1.953
177 HB2 ARG 24 HB2 ARG 24 7.727 30.923 -3.705
178 HB3 ARG 24 HB3 ARG 24 8.000 32.442 -2.860
179 HG2 ARG 24 HG2 ARG 24 8.857 31.036 -1.312
180 HG3 ARG 24 HG3 ARG 24 7.170 30.987 -0.796
181 HD2 ARG 24 HD2 ARG 24 6.856 28.865 -1.558
182 HD3 ARG 24 HD3 ARG 24 8.008 29.054 -2.879
183 HE ARG 24 HE ARG 24 9.274 29.044 -0.316
184 HH11 ARG 24 HH11 ARG 24 7.946 27.015 -2.815
185 HH12 ARG 24 HH12 ARG 24 8.925 25.646 -2.405
186 HH21 ARG 24 HH21 ARG 24 10.569 27.248 0.233
187 HH22 ARG 24 HH22 ARG 24 10.416 25.779 -0.670
188 H ARG 25 H ARG 25 6.552 33.035 -5.055
189 HA ARG 25 HA ARG 25 5.446 35.605 -4.133
190 HB2 ARG 25 HB2 ARG 25 8.129 34.951 -5.112
191 HB3 ARG 25 HB3 ARG 25 7.390 36.311 -5.946
192 HG2 ARG 25 HG2 ARG 25 7.669 37.666 -4.203
193 HG3 ARG 25 HG3 ARG 25 7.073 36.459 -3.061
194 HD2 ARG 25 HD2 ARG 25 9.305 35.327 -3.245
195 HD3 ARG 25 HD3 ARG 25 9.860 36.718 -4.175
196 HE ARG 25 HE ARG 25 8.729 37.530 -1.702
197 HH11 ARG 25 HH11 ARG 25 11.579 36.105 -3.106
198 HH12 ARG 25 HH12 ARG 25 12.637 36.672 -1.856
199 HH21 ARG 25 HH21 ARG 25 10.112 38.282 -0.051
200 HH22 ARG 25 HH22 ARG 25 11.801 37.909 -0.119
Start of MODEL 15
1 H1 GLY 1 H GLY 1 4.506 0.893 0.214
2 HA2 GLY 1 HA2 GLY 1 2.482 -0.960 1.052
3 HA3 GLY 1 HA3 GLY 1 2.266 0.760 0.762
4 H ALA 2 H ALA 2 0.651 1.002 -0.633
5 HA ALA 2 HA ALA 2 0.846 0.222 -3.316
6 HB1 ALA 2 HB1 ALA 2 0.339 -1.976 -2.982
7 HB2 ALA 2 HB2 ALA 2 -0.622 -1.652 -1.539
8 HB3 ALA 2 HB3 ALA 2 -1.292 -1.323 -3.137
9 H TRP 3 H TRP 3 -1.246 1.085 -0.629
10 HA TRP 3 HA TRP 3 -3.275 2.247 -2.304
11 HB2 TRP 3 HB2 TRP 3 -4.276 3.006 -0.191
12 HB3 TRP 3 HB3 TRP 3 -3.855 1.297 -0.122
13 HD1 TRP 3 HD1 TRP 3 -2.109 0.545 1.683
14 HE1 TRP 3 HE1 TRP 3 -0.933 1.754 3.627
15 HE3 TRP 3 HE3 TRP 3 -3.283 5.369 0.465
16 HZ2 TRP 3 HZ2 TRP 3 -0.554 4.403 4.526
17 HZ3 TRP 3 HZ3 TRP 3 -2.476 7.182 1.920
18 HH2 TRP 3 HH2 TRP 3 -1.140 6.707 3.907
19 H LYS 4 H LYS 4 -0.424 3.349 -0.618
20 HA LYS 4 HA LYS 4 -1.002 6.132 -0.748
21 HB2 LYS 4 HB2 LYS 4 0.724 4.865 0.722
22 HB3 LYS 4 HB3 LYS 4 1.783 5.010 -0.674
23 HG2 LYS 4 HG2 LYS 4 0.499 7.519 0.082
24 HG3 LYS 4 HG3 LYS 4 1.541 6.842 1.336
25 HD2 LYS 4 HD2 LYS 4 2.406 7.186 -1.530
26 HD3 LYS 4 HD3 LYS 4 2.666 8.410 -0.285
27 HE2 LYS 4 HE2 LYS 4 4.322 7.238 0.701
28 HE3 LYS 4 HE3 LYS 4 3.529 5.688 0.425
29 HZ1 LYS 4 HZ1 LYS 4 4.693 7.149 -1.846
30 HZ2 LYS 4 HZ2 LYS 4 4.448 5.487 -1.656
31 HZ3 LYS 4 HZ3 LYS 4 5.704 6.256 -0.825
32 H ASN 5 H ASN 5 0.321 3.827 -2.976
33 HA ASN 5 HA ASN 5 1.791 5.408 -4.694
34 HB2 ASN 5 HB2 ASN 5 1.199 2.840 -4.733
35 HB3 ASN 5 HB3 ASN 5 -0.063 3.361 -5.845
36 HD21 ASN 5 HD21 ASN 5 1.116 1.986 -7.347
37 HD22 ASN 5 HD22 ASN 5 2.460 2.650 -8.206
38 H PHE 6 H PHE 6 -1.713 4.808 -4.755
39 HA PHE 6 HA PHE 6 -2.341 6.315 -7.006
40 HB2 PHE 6 HB2 PHE 6 -3.824 4.772 -5.511
41 HB3 PHE 6 HB3 PHE 6 -4.174 6.257 -4.632
42 HD1 PHE 6 HD1 PHE 6 -4.732 8.304 -6.317
43 HD2 PHE 6 HD2 PHE 6 -5.351 4.166 -7.097
44 HE1 PHE 6 HE1 PHE 6 -6.459 8.878 -7.973
45 HE2 PHE 6 HE2 PHE 6 -7.078 4.733 -8.755
46 HZ PHE 6 HZ PHE 6 -7.633 7.092 -9.195
47 H TRP 7 H TRP 7 -2.351 7.329 -3.593
48 HA TRP 7 HA TRP 7 -3.097 9.980 -3.981
49 HB2 TRP 7 HB2 TRP 7 -1.327 8.747 -1.863
50 HB3 TRP 7 HB3 TRP 7 -1.921 10.404 -1.798
51 HD1 TRP 7 HD1 TRP 7 -2.695 7.276 -0.295
52 HE1 TRP 7 HE1 TRP 7 -5.172 7.080 0.375
53 HE3 TRP 7 HE3 TRP 7 -4.591 11.129 -3.068
54 HZ2 TRP 7 HZ2 TRP 7 -7.608 8.386 -0.198
55 HZ3 TRP 7 HZ3 TRP 7 -7.005 11.589 -2.952
56 HH2 TRP 7 HH2 TRP 7 -8.481 10.245 -1.546
57 H SER 8 H SER 8 0.110 8.492 -4.063
58 HA SER 8 HA SER 8 1.701 10.747 -4.191
59 HB2 SER 8 HB2 SER 8 2.406 8.281 -4.124
60 HB3 SER 8 HB3 SER 8 2.231 8.304 -5.879
61 HG SER 8 HG SER 8 4.123 9.547 -4.256
62 H SER 9 H SER 9 -0.083 9.142 -6.783
63 HA SER 9 HA SER 9 0.946 10.704 -8.903
64 HB2 SER 9 HB2 SER 9 -1.676 9.206 -8.681
65 HB3 SER 9 HB3 SER 9 -1.016 9.867 -10.177
66 HG SER 9 HG SER 9 -0.340 7.793 -10.146
67 H LEU 10 H LEU 10 -2.155 10.908 -7.155
68 HA LEU 10 HA LEU 10 -3.161 13.173 -8.398
69 HB2 LEU 10 HB2 LEU 10 -3.517 12.514 -5.483
70 HB3 LEU 10 HB3 LEU 10 -4.616 13.421 -6.520
71 HG LEU 10 HG LEU 10 -4.021 10.469 -6.714
72 HD11 LEU 10 HD11 LEU 10 -5.548 11.621 -4.844
73 HD12 LEU 10 HD12 LEU 10 -5.918 10.053 -5.559
74 HD13 LEU 10 HD13 LEU 10 -6.729 11.504 -6.149
75 HD21 LEU 10 HD21 LEU 10 -6.252 10.910 -8.189
76 HD22 LEU 10 HD22 LEU 10 -4.623 10.792 -8.854
77 HD23 LEU 10 HD23 LEU 10 -5.329 12.375 -8.525
78 H ARG 11 H ARG 11 -0.906 12.899 -5.703
79 HA ARG 11 HA ARG 11 -0.858 15.543 -4.852
80 HB2 ARG 11 HB2 ARG 11 0.506 13.253 -4.200
81 HB3 ARG 11 HB3 ARG 11 1.774 14.247 -4.905
82 HG2 ARG 11 HG2 ARG 11 1.487 15.939 -3.298
83 HG3 ARG 11 HG3 ARG 11 -0.055 15.271 -2.758
84 HD2 ARG 11 HD2 ARG 11 1.502 13.162 -2.270
85 HD3 ARG 11 HD3 ARG 11 2.716 14.432 -2.122
86 HE ARG 11 HE ARG 11 0.646 13.825 -0.266
87 HH11 ARG 11 HH11 ARG 11 2.523 16.441 -1.590
88 HH12 ARG 11 HH12 ARG 11 2.362 17.441 -0.185
89 HH21 ARG 11 HH21 ARG 11 0.427 15.133 1.590
90 HH22 ARG 11 HH22 ARG 11 1.170 16.696 1.624
91 H LYS 12 H LYS 12 1.303 13.985 -7.223
92 HA LYS 12 HA LYS 12 2.704 16.284 -7.967
93 HB2 LYS 12 HB2 LYS 12 2.290 13.585 -9.084
94 HB3 LYS 12 HB3 LYS 12 2.745 14.814 -10.256
95 HG2 LYS 12 HG2 LYS 12 4.690 13.633 -9.388
96 HG3 LYS 12 HG3 LYS 12 4.730 15.345 -8.961
97 HD2 LYS 12 HD2 LYS 12 3.404 13.645 -6.978
98 HD3 LYS 12 HD3 LYS 12 5.113 13.275 -7.217
99 HE2 LYS 12 HE2 LYS 12 4.726 16.117 -7.100
100 HE3 LYS 12 HE3 LYS 12 3.992 15.353 -5.691
101 HZ1 LYS 12 HZ1 LYS 12 6.595 15.981 -5.910
102 HZ2 LYS 12 HZ2 LYS 12 6.615 14.351 -6.361
103 HZ3 LYS 12 HZ3 LYS 12 5.980 14.805 -4.860
104 H GLY 13 H GLY 13 -0.401 15.043 -9.012
105 HA2 GLY 13 HA2 GLY 13 -0.689 16.673 -11.315
106 HA3 GLY 13 HA3 GLY 13 -1.993 15.887 -10.438
107 H PHE 14 H PHE 14 -2.014 17.037 -8.026
108 HA PHE 14 HA PHE 14 -3.196 19.557 -8.531
109 HB2 PHE 14 HB2 PHE 14 -3.914 18.107 -6.682
110 HB3 PHE 14 HB3 PHE 14 -2.353 18.327 -5.898
111 HD1 PHE 14 HD1 PHE 14 -5.512 19.961 -6.815
112 HD2 PHE 14 HD2 PHE 14 -1.846 20.314 -4.681
113 HE1 PHE 14 HE1 PHE 14 -6.382 21.949 -5.655
114 HE2 PHE 14 HE2 PHE 14 -2.711 22.302 -3.517
115 HZ PHE 14 HZ PHE 14 -4.981 23.122 -4.003
116 H TYR 15 H TYR 15 0.009 18.571 -7.655
117 HA TYR 15 HA TYR 15 1.002 20.894 -6.488
118 HB2 TYR 15 HB2 TYR 15 2.073 18.495 -7.065
119 HB3 TYR 15 HB3 TYR 15 2.796 19.447 -8.357
120 HD1 TYR 15 HD2 TYR 15 3.871 21.733 -7.558
121 HD2 TYR 15 HD1 TYR 15 3.181 18.372 -5.042
122 HE1 TYR 15 HE2 TYR 15 5.585 22.556 -5.998
123 HE2 TYR 15 HE1 TYR 15 4.892 19.187 -3.474
124 HH TYR 15 HH TYR 15 6.932 21.925 -4.241
125 H ASP 16 H ASP 16 0.209 20.201 -9.788
126 HA ASP 16 HA ASP 16 1.440 22.729 -10.652
127 HB2 ASP 16 HB2 ASP 16 0.522 20.331 -12.250
128 HB3 ASP 16 HB3 ASP 16 1.102 21.831 -12.968
129 H GLY 17 H GLY 17 -0.946 22.789 -9.144
130 HA2 GLY 17 HA2 GLY 17 -2.780 23.877 -11.181
131 HA3 GLY 17 HA3 GLY 17 -3.391 22.845 -9.897
132 H GLU 18 H GLU 18 -2.363 23.679 -7.642
133 HA GLU 18 HA GLU 18 -3.419 26.380 -7.382
134 HB2 GLU 18 HB2 GLU 18 -4.039 24.423 -5.854
135 HB3 GLU 18 HB3 GLU 18 -2.443 24.617 -5.143
136 HG2 GLU 18 HG2 GLU 18 -3.557 25.946 -3.716
137 HG3 GLU 18 HG3 GLU 18 -3.302 27.146 -4.981
138 H ALA 19 H ALA 19 -0.492 24.597 -6.411
139 HA ALA 19 HA ALA 19 0.929 26.817 -5.445
140 HB1 ALA 19 HB1 ALA 19 2.656 25.382 -5.118
141 HB2 ALA 19 HB2 ALA 19 1.374 24.194 -5.356
142 HB3 ALA 19 HB3 ALA 19 2.455 24.603 -6.688
143 H GLY 20 H GLY 20 0.323 25.697 -8.665
144 HA2 GLY 20 HA2 GLY 20 2.462 26.710 -10.094
145 HA3 GLY 20 HA3 GLY 20 0.816 26.629 -10.706
146 H ARG 21 H ARG 21 -0.170 28.446 -8.592
147 HA ARG 21 HA ARG 21 0.516 30.924 -9.944
148 HB2 ARG 21 HB2 ARG 21 -1.842 30.413 -9.521
149 HB3 ARG 21 HB3 ARG 21 -1.527 30.345 -7.793
150 HG2 ARG 21 HG2 ARG 21 -0.613 32.847 -8.844
151 HG3 ARG 21 HG3 ARG 21 -2.289 32.567 -9.318
152 HD2 ARG 21 HD2 ARG 21 -1.168 32.489 -6.520
153 HD3 ARG 21 HD3 ARG 21 -2.213 33.736 -7.200
154 HE ARG 21 HE ARG 21 -3.648 31.444 -7.488
155 HH11 ARG 21 HH11 ARG 21 -2.102 33.031 -4.803
156 HH12 ARG 21 HH12 ARG 21 -3.235 32.439 -3.633
157 HH21 ARG 21 HH21 ARG 21 -5.146 30.658 -5.957
158 HH22 ARG 21 HH22 ARG 21 -4.965 31.089 -4.290
159 H ALA 22 H ALA 22 1.101 29.319 -6.927
160 HA ALA 22 HA ALA 22 3.087 31.255 -6.200
161 HB1 ALA 22 HB1 ALA 22 2.118 31.890 -4.046
162 HB2 ALA 22 HB2 ALA 22 1.107 32.419 -5.391
163 HB3 ALA 22 HB3 ALA 22 0.647 31.003 -4.447
164 H ILE 23 H ILE 23 4.706 30.022 -5.531
165 HA ILE 23 HA ILE 23 4.169 27.410 -4.364
166 HB ILE 23 HB ILE 23 6.855 28.635 -4.986
167 HG12 ILE 23 HG12 ILE 23 6.488 26.851 -6.970
168 HG13 ILE 23 HG13 ILE 23 4.819 27.357 -6.727
169 HG21 ILE 23 HG21 ILE 23 6.217 26.379 -3.549
170 HG22 ILE 23 HG22 ILE 23 6.547 25.747 -5.161
171 HG23 ILE 23 HG23 ILE 23 7.766 26.707 -4.325
172 HD11 ILE 23 HD11 ILE 23 6.300 29.716 -6.784
173 HD12 ILE 23 HD12 ILE 23 6.963 28.708 -8.071
174 HD13 ILE 23 HD13 ILE 23 5.240 29.082 -8.042
175 H ARG 24 H ARG 24 6.533 29.960 -3.569
176 HA ARG 24 HA ARG 24 5.935 29.487 -0.722
177 HB2 ARG 24 HB2 ARG 24 8.310 30.074 -0.264
178 HB3 ARG 24 HB3 ARG 24 8.121 28.599 -1.204
179 HG2 ARG 24 HG2 ARG 24 8.467 31.092 -2.742
180 HG3 ARG 24 HG3 ARG 24 9.864 30.531 -1.820
181 HD2 ARG 24 HD2 ARG 24 8.326 28.656 -3.579
182 HD3 ARG 24 HD3 ARG 24 9.560 29.719 -4.255
183 HE ARG 24 HE ARG 24 10.452 28.178 -1.994
184 HH11 ARG 24 HH11 ARG 24 10.044 28.238 -5.451
185 HH12 ARG 24 HH12 ARG 24 11.270 27.049 -5.747
186 HH21 ARG 24 HH21 ARG 24 12.067 26.613 -2.370
187 HH22 ARG 24 HH22 ARG 24 12.419 26.125 -3.994
188 H ARG 25 H ARG 25 4.723 31.437 -2.503
189 HA ARG 25 HA ARG 25 4.141 33.635 -2.559
190 HB2 ARG 25 HB2 ARG 25 4.941 33.101 0.227
191 HB3 ARG 25 HB3 ARG 25 4.937 34.800 -0.229
192 HG2 ARG 25 HG2 ARG 25 2.603 32.936 -0.603
193 HG3 ARG 25 HG3 ARG 25 2.812 34.019 0.775
194 HD2 ARG 25 HD2 ARG 25 3.102 35.328 -1.825
195 HD3 ARG 25 HD3 ARG 25 1.504 34.638 -1.548
196 HE ARG 25 HE ARG 25 2.658 36.917 -0.236
197 HH11 ARG 25 HH11 ARG 25 0.326 34.345 0.027
198 HH12 ARG 25 HH12 ARG 25 -0.668 35.188 1.169
199 HH21 ARG 25 HH21 ARG 25 1.357 38.036 1.266
200 HH22 ARG 25 HH22 ARG 25 -0.082 37.288 1.872
Start of MODEL 16
1 H1 GLY 1 H GLY 1 4.419 -0.581 -0.417
2 HA2 GLY 1 HA2 GLY 1 2.526 -2.420 -0.886
3 HA3 GLY 1 HA3 GLY 1 2.105 -0.788 -0.387
4 H ALA 2 H ALA 2 0.692 0.216 -1.641
5 HA ALA 2 HA ALA 2 0.851 0.399 -4.431
6 HB1 ALA 2 HB1 ALA 2 -0.434 -1.233 -5.287
7 HB2 ALA 2 HB2 ALA 2 -0.044 -2.076 -3.788
8 HB3 ALA 2 HB3 ALA 2 -1.565 -1.195 -3.934
9 H TRP 3 H TRP 3 -1.191 0.449 -1.573
10 HA TRP 3 HA TRP 3 -3.265 2.057 -2.561
11 HB2 TRP 3 HB2 TRP 3 -3.766 2.548 -0.211
12 HB3 TRP 3 HB3 TRP 3 -3.418 0.836 -0.438
13 HD1 TRP 3 HD1 TRP 3 -1.402 -0.176 0.885
14 HE1 TRP 3 HE1 TRP 3 0.219 0.758 2.653
15 HE3 TRP 3 HE3 TRP 3 -2.507 4.797 0.452
16 HZ2 TRP 3 HZ2 TRP 3 0.934 3.271 3.722
17 HZ3 TRP 3 HZ3 TRP 3 -1.310 6.400 1.885
18 HH2 TRP 3 HH2 TRP 3 0.374 5.651 3.485
19 H LYS 4 H LYS 4 -0.077 2.846 -1.362
20 HA LYS 4 HA LYS 4 -0.516 5.637 -1.046
21 HB2 LYS 4 HB2 LYS 4 1.391 4.144 -0.110
22 HB3 LYS 4 HB3 LYS 4 2.166 4.432 -1.663
23 HG2 LYS 4 HG2 LYS 4 1.239 6.907 -0.538
24 HG3 LYS 4 HG3 LYS 4 2.258 6.044 0.615
25 HD2 LYS 4 HD2 LYS 4 3.091 6.378 -2.247
26 HD3 LYS 4 HD3 LYS 4 3.385 7.648 -1.057
27 HE2 LYS 4 HE2 LYS 4 4.833 6.314 0.187
28 HE3 LYS 4 HE3 LYS 4 4.217 4.820 -0.519
29 HZ1 LYS 4 HZ1 LYS 4 6.451 5.513 -1.325
30 HZ2 LYS 4 HZ2 LYS 4 5.729 6.855 -2.059
31 HZ3 LYS 4 HZ3 LYS 4 5.311 5.293 -2.555
32 H ASN 5 H ASN 5 0.203 3.599 -3.753
33 HA ASN 5 HA ASN 5 1.403 5.338 -5.530
34 HB2 ASN 5 HB2 ASN 5 0.605 2.806 -5.732
35 HB3 ASN 5 HB3 ASN 5 -0.747 3.556 -6.575
36 HD21 ASN 5 HD21 ASN 5 0.196 5.452 -8.067
37 HD22 ASN 5 HD22 ASN 5 1.420 4.903 -9.155
38 H PHE 6 H PHE 6 -2.094 4.785 -5.112
39 HA PHE 6 HA PHE 6 -3.035 6.626 -6.943
40 HB2 PHE 6 HB2 PHE 6 -4.353 4.942 -5.534
41 HB3 PHE 6 HB3 PHE 6 -4.359 6.172 -4.274
42 HD1 PHE 6 HD2 PHE 6 -5.195 8.541 -5.053
43 HD2 PHE 6 HD1 PHE 6 -6.099 4.878 -7.023
44 HE1 PHE 6 HE2 PHE 6 -7.170 9.586 -6.082
45 HE2 PHE 6 HE1 PHE 6 -8.075 5.917 -8.056
46 HZ PHE 6 HZ PHE 6 -8.614 8.274 -7.585
47 H TRP 7 H TRP 7 -2.400 7.163 -3.481
48 HA TRP 7 HA TRP 7 -3.091 9.833 -3.324
49 HB2 TRP 7 HB2 TRP 7 -0.963 8.268 -1.864
50 HB3 TRP 7 HB3 TRP 7 -1.361 9.937 -1.462
51 HD1 TRP 7 HD1 TRP 7 -2.018 6.753 -0.102
52 HE1 TRP 7 HE1 TRP 7 -4.296 6.607 1.088
53 HE3 TRP 7 HE3 TRP 7 -4.233 10.916 -2.077
54 HZ2 TRP 7 HZ2 TRP 7 -6.712 8.064 1.176
55 HZ3 TRP 7 HZ3 TRP 7 -6.530 11.469 -1.388
56 HH2 TRP 7 HH2 TRP 7 -7.742 10.071 0.204
57 H SER 8 H SER 8 -0.053 8.387 -4.397
58 HA SER 8 HA SER 8 1.505 10.685 -4.577
59 HB2 SER 8 HB2 SER 8 1.815 8.008 -5.246
60 HB3 SER 8 HB3 SER 8 1.971 8.844 -6.791
61 HG SER 8 HG SER 8 3.506 9.172 -4.443
62 H SER 9 H SER 9 -0.702 9.262 -6.959
63 HA SER 9 HA SER 9 -0.197 10.975 -9.090
64 HB2 SER 9 HB2 SER 9 -2.012 8.923 -8.538
65 HB3 SER 9 HB3 SER 9 -3.021 10.325 -8.893
66 HG SER 9 HG SER 9 -1.796 8.781 -10.616
67 H LEU 10 H LEU 10 -2.649 11.290 -6.528
68 HA LEU 10 HA LEU 10 -3.732 13.725 -7.369
69 HB2 LEU 10 HB2 LEU 10 -3.461 12.796 -4.518
70 HB3 LEU 10 HB3 LEU 10 -4.651 13.925 -5.161
71 HG LEU 10 HG LEU 10 -4.500 10.987 -5.836
72 HD11 LEU 10 HD11 LEU 10 -5.950 10.535 -4.181
73 HD12 LEU 10 HD12 LEU 10 -6.805 12.066 -4.367
74 HD13 LEU 10 HD13 LEU 10 -5.294 12.005 -3.460
75 HD21 LEU 10 HD21 LEU 10 -7.017 11.962 -6.430
76 HD22 LEU 10 HD22 LEU 10 -5.741 11.586 -7.588
77 HD23 LEU 10 HD23 LEU 10 -5.931 13.235 -6.988
78 H ARG 11 H ARG 11 -1.099 13.066 -5.078
79 HA ARG 11 HA ARG 11 -0.573 15.663 -4.261
80 HB2 ARG 11 HB2 ARG 11 0.816 13.111 -4.230
81 HB3 ARG 11 HB3 ARG 11 1.931 14.456 -4.431
82 HG2 ARG 11 HG2 ARG 11 1.679 15.130 -2.319
83 HG3 ARG 11 HG3 ARG 11 -0.071 14.906 -2.358
84 HD2 ARG 11 HD2 ARG 11 0.484 12.385 -2.265
85 HD3 ARG 11 HD3 ARG 11 2.076 12.915 -1.725
86 HE ARG 11 HE ARG 11 0.375 14.241 -0.083
87 HH11 ARG 11 HH11 ARG 11 0.768 10.894 -0.955
88 HH12 ARG 11 HH12 ARG 11 0.207 10.296 0.572
89 HH21 ARG 11 HH21 ARG 11 -0.366 13.466 1.930
90 HH22 ARG 11 HH22 ARG 11 -0.439 11.760 2.211
91 H LYS 12 H LYS 12 0.967 13.876 -6.935
92 HA LYS 12 HA LYS 12 2.585 15.933 -7.877
93 HB2 LYS 12 HB2 LYS 12 1.515 13.407 -8.957
94 HB3 LYS 12 HB3 LYS 12 1.970 14.596 -10.170
95 HG2 LYS 12 HG2 LYS 12 3.792 13.047 -9.670
96 HG3 LYS 12 HG3 LYS 12 4.212 14.712 -9.260
97 HD2 LYS 12 HD2 LYS 12 2.989 13.119 -7.098
98 HD3 LYS 12 HD3 LYS 12 4.602 12.615 -7.609
99 HE2 LYS 12 HE2 LYS 12 4.781 15.373 -7.449
100 HE3 LYS 12 HE3 LYS 12 3.774 14.935 -6.070
101 HZ1 LYS 12 HZ1 LYS 12 5.507 14.059 -5.012
102 HZ2 LYS 12 HZ2 LYS 12 6.488 14.832 -6.153
103 HZ3 LYS 12 HZ3 LYS 12 6.045 13.215 -6.376
104 H GLY 13 H GLY 13 -0.825 15.327 -8.370
105 HA2 GLY 13 HA2 GLY 13 -1.191 17.096 -10.562
106 HA3 GLY 13 HA3 GLY 13 -2.452 16.503 -9.491
107 H PHE 14 H PHE 14 -1.995 17.510 -7.110
108 HA PHE 14 HA PHE 14 -2.741 20.207 -7.325
109 HB2 PHE 14 HB2 PHE 14 -3.174 18.580 -5.394
110 HB3 PHE 14 HB3 PHE 14 -1.550 18.979 -4.844
111 HD1 PHE 14 HD1 PHE 14 -1.017 21.361 -4.265
112 HD2 PHE 14 HD2 PHE 14 -4.989 20.000 -4.963
113 HE1 PHE 14 HE1 PHE 14 -1.896 23.345 -3.106
114 HE2 PHE 14 HE2 PHE 14 -5.875 21.983 -3.806
115 HZ PHE 14 HZ PHE 14 -4.328 23.659 -2.876
116 H TYR 15 H TYR 15 0.361 18.682 -7.088
117 HA TYR 15 HA TYR 15 1.915 20.770 -6.090
118 HB2 TYR 15 HB2 TYR 15 2.449 18.249 -6.887
119 HB3 TYR 15 HB3 TYR 15 3.104 19.137 -8.258
120 HD1 TYR 15 HD2 TYR 15 4.604 21.238 -7.526
121 HD2 TYR 15 HD1 TYR 15 3.887 17.782 -5.150
122 HE1 TYR 15 HE2 TYR 15 6.660 21.693 -6.254
123 HE2 TYR 15 HE1 TYR 15 5.940 18.228 -3.870
124 HH TYR 15 HH TYR 15 7.388 20.169 -3.332
125 H ASP 16 H ASP 16 0.576 20.242 -9.272
126 HA ASP 16 HA ASP 16 1.936 22.660 -10.250
127 HB2 ASP 16 HB2 ASP 16 0.686 20.334 -11.714
128 HB3 ASP 16 HB3 ASP 16 1.173 21.821 -12.523
129 H GLY 17 H GLY 17 -0.463 22.538 -8.498
130 HA2 GLY 17 HA2 GLY 17 -2.422 23.801 -10.311
131 HA3 GLY 17 HA3 GLY 17 -2.840 22.998 -8.806
132 H GLU 18 H GLU 18 -1.306 24.016 -6.928
133 HA GLU 18 HA GLU 18 -2.142 26.803 -6.841
134 HB2 GLU 18 HB2 GLU 18 -1.634 24.698 -4.891
135 HB3 GLU 18 HB3 GLU 18 -0.900 26.227 -4.430
136 HG2 GLU 18 HG2 GLU 18 -3.378 27.030 -5.202
137 HG3 GLU 18 HG3 GLU 18 -3.714 25.438 -4.522
138 H ALA 19 H ALA 19 0.822 24.890 -6.448
139 HA ALA 19 HA ALA 19 2.558 27.060 -5.993
140 HB1 ALA 19 HB1 ALA 19 2.789 24.215 -6.427
141 HB2 ALA 19 HB2 ALA 19 4.080 25.097 -7.244
142 HB3 ALA 19 HB3 ALA 19 3.832 25.303 -5.510
143 H GLY 20 H GLY 20 1.128 25.795 -8.881
144 HA2 GLY 20 HA2 GLY 20 2.974 26.694 -10.796
145 HA3 GLY 20 HA3 GLY 20 1.258 26.444 -11.078
146 H ARG 21 H ARG 21 0.781 28.456 -8.816
147 HA ARG 21 HA ARG 21 1.155 30.849 -10.491
148 HB2 ARG 21 HB2 ARG 21 -1.180 30.348 -10.220
149 HB3 ARG 21 HB3 ARG 21 -0.992 30.165 -8.481
150 HG2 ARG 21 HG2 ARG 21 -0.685 32.481 -8.169
151 HG3 ARG 21 HG3 ARG 21 -0.458 32.758 -9.897
152 HD2 ARG 21 HD2 ARG 21 -2.655 32.928 -10.253
153 HD3 ARG 21 HD3 ARG 21 -2.995 31.477 -9.310
154 HE ARG 21 HE ARG 21 -3.471 32.800 -7.495
155 HH11 ARG 21 HH11 ARG 21 -1.904 34.709 -9.948
156 HH12 ARG 21 HH12 ARG 21 -2.207 36.218 -9.152
157 HH21 ARG 21 HH21 ARG 21 -3.876 34.780 -6.437
158 HH22 ARG 21 HH22 ARG 21 -3.328 36.257 -7.155
159 H ALA 22 H ALA 22 1.586 29.466 -7.323
160 HA ALA 22 HA ALA 22 3.570 31.353 -6.609
161 HB1 ALA 22 HB1 ALA 22 2.543 32.683 -5.009
162 HB2 ALA 22 HB2 ALA 22 1.339 32.616 -6.297
163 HB3 ALA 22 HB3 ALA 22 1.153 31.608 -4.862
164 H ILE 23 H ILE 23 4.942 30.031 -5.624
165 HA ILE 23 HA ILE 23 4.156 27.622 -4.340
166 HB ILE 23 HB ILE 23 6.818 29.022 -4.089
167 HG12 ILE 23 HG12 ILE 23 7.065 26.975 -5.956
168 HG13 ILE 23 HG13 ILE 23 5.537 27.745 -6.373
169 HG21 ILE 23 HG21 ILE 23 6.026 26.127 -3.791
170 HG22 ILE 23 HG22 ILE 23 7.672 26.752 -3.708
171 HG23 ILE 23 HG23 ILE 23 6.488 27.225 -2.490
172 HD11 ILE 23 HD11 ILE 23 6.532 29.681 -7.009
173 HD12 ILE 23 HD12 ILE 23 7.871 29.499 -5.876
174 HD13 ILE 23 HD13 ILE 23 7.843 28.558 -7.366
175 H ARG 24 H ARG 24 5.913 30.394 -2.938
176 HA ARG 24 HA ARG 24 4.401 29.966 -0.446
177 HB2 ARG 24 HB2 ARG 24 6.468 30.758 0.752
178 HB3 ARG 24 HB3 ARG 24 6.614 29.185 -0.022
179 HG2 ARG 24 HG2 ARG 24 7.444 31.488 -1.656
180 HG3 ARG 24 HG3 ARG 24 8.439 31.147 -0.239
181 HD2 ARG 24 HD2 ARG 24 7.705 28.791 -1.830
182 HD3 ARG 24 HD3 ARG 24 8.732 29.956 -2.664
183 HE ARG 24 HE ARG 24 9.715 29.381 -0.058
184 HH11 ARG 24 HH11 ARG 24 9.521 28.121 -3.298
185 HH12 ARG 24 HH12 ARG 24 10.959 27.166 -3.152
186 HH21 ARG 24 HH21 ARG 24 11.610 28.128 0.146
187 HH22 ARG 24 HH22 ARG 24 12.146 27.170 -1.193
188 H ARG 25 H ARG 25 3.818 31.780 -2.638
189 HA ARG 25 HA ARG 25 3.241 33.948 -3.027
190 HB2 ARG 25 HB2 ARG 25 3.094 33.700 -0.050
191 HB3 ARG 25 HB3 ARG 25 2.873 35.280 -0.788
192 HG2 ARG 25 HG2 ARG 25 1.266 32.833 -1.486
193 HG3 ARG 25 HG3 ARG 25 0.757 34.081 -0.348
194 HD2 ARG 25 HD2 ARG 25 1.614 35.217 -2.867
195 HD3 ARG 25 HD3 ARG 25 0.322 34.039 -3.095
196 HE ARG 25 HE ARG 25 -0.274 35.836 -0.973
197 HH11 ARG 25 HH11 ARG 25 -0.201 35.559 -4.443
198 HH12 ARG 25 HH12 ARG 25 -1.431 36.752 -4.695
199 HH21 ARG 25 HH21 ARG 25 -1.894 37.409 -1.292
200 HH22 ARG 25 HH22 ARG 25 -2.393 37.805 -2.902
Start of MODEL 17
1 H1 GLY 1 H GLY 1 4.284 -0.632 -0.644
2 HA2 GLY 1 HA2 GLY 1 2.381 -2.209 0.343
3 HA3 GLY 1 HA3 GLY 1 1.671 -0.630 0.644
4 H ALA 2 H ALA 2 0.485 0.257 -0.922
5 HA ALA 2 HA ALA 2 1.016 0.114 -3.668
6 HB1 ALA 2 HB1 ALA 2 0.364 -1.981 -4.112
7 HB2 ALA 2 HB2 ALA 2 -0.487 -2.145 -2.576
8 HB3 ALA 2 HB3 ALA 2 -1.273 -1.348 -3.939
9 H TRP 3 H TRP 3 -1.395 0.416 -1.131
10 HA TRP 3 HA TRP 3 -3.302 1.874 -2.632
11 HB2 TRP 3 HB2 TRP 3 -4.296 2.438 -0.476
12 HB3 TRP 3 HB3 TRP 3 -3.837 0.737 -0.509
13 HD1 TRP 3 HD1 TRP 3 -2.003 -0.070 1.201
14 HE1 TRP 3 HE1 TRP 3 -0.868 1.047 3.224
15 HE3 TRP 3 HE3 TRP 3 -3.437 4.766 0.370
16 HZ2 TRP 3 HZ2 TRP 3 -0.615 3.635 4.322
17 HZ3 TRP 3 HZ3 TRP 3 -2.707 6.502 1.953
18 HH2 TRP 3 HH2 TRP 3 -1.325 5.946 3.888
19 H LYS 4 H LYS 4 -0.418 2.781 -0.885
20 HA LYS 4 HA LYS 4 -0.940 5.571 -0.765
21 HB2 LYS 4 HB2 LYS 4 0.738 4.300 0.632
22 HB3 LYS 4 HB3 LYS 4 1.770 4.238 -0.791
23 HG2 LYS 4 HG2 LYS 4 1.239 6.887 -0.670
24 HG3 LYS 4 HG3 LYS 4 1.206 6.459 1.042
25 HD2 LYS 4 HD2 LYS 4 3.431 6.629 0.996
26 HD3 LYS 4 HD3 LYS 4 3.428 5.126 0.071
27 HE2 LYS 4 HE2 LYS 4 2.878 7.102 -1.804
28 HE3 LYS 4 HE3 LYS 4 4.108 7.815 -0.762
29 HZ1 LYS 4 HZ1 LYS 4 5.651 6.274 -1.368
30 HZ2 LYS 4 HZ2 LYS 4 4.758 6.336 -2.802
31 HZ3 LYS 4 HZ3 LYS 4 4.510 5.072 -1.706
32 H ASN 5 H ASN 5 0.284 3.455 -3.223
33 HA ASN 5 HA ASN 5 1.731 5.200 -4.821
34 HB2 ASN 5 HB2 ASN 5 0.964 2.591 -5.026
35 HB3 ASN 5 HB3 ASN 5 -0.016 3.332 -6.287
36 HD21 ASN 5 HD21 ASN 5 2.935 2.003 -5.558
37 HD22 ASN 5 HD22 ASN 5 3.837 2.581 -6.914
38 H PHE 6 H PHE 6 -1.749 4.453 -4.999
39 HA PHE 6 HA PHE 6 -2.447 6.131 -7.077
40 HB2 PHE 6 HB2 PHE 6 -3.904 4.453 -5.796
41 HB3 PHE 6 HB3 PHE 6 -4.194 5.758 -4.650
42 HD1 PHE 6 HD1 PHE 6 -4.953 8.033 -5.779
43 HD2 PHE 6 HD2 PHE 6 -5.397 4.170 -7.511
44 HE1 PHE 6 HE1 PHE 6 -6.765 8.886 -7.208
45 HE2 PHE 6 HE2 PHE 6 -7.209 5.017 -8.943
46 HZ PHE 6 HZ PHE 6 -7.895 7.378 -8.794
47 H TRP 7 H TRP 7 -2.490 6.900 -3.598
48 HA TRP 7 HA TRP 7 -3.306 9.535 -3.754
49 HB2 TRP 7 HB2 TRP 7 -1.424 8.182 -1.819
50 HB3 TRP 7 HB3 TRP 7 -1.980 9.840 -1.610
51 HD1 TRP 7 HD1 TRP 7 -2.719 6.693 -0.201
52 HE1 TRP 7 HE1 TRP 7 -5.172 6.469 0.548
53 HE3 TRP 7 HE3 TRP 7 -4.724 10.608 -2.806
54 HZ2 TRP 7 HZ2 TRP 7 -7.631 7.779 0.094
55 HZ3 TRP 7 HZ3 TRP 7 -7.135 11.055 -2.594
56 HH2 TRP 7 HH2 TRP 7 -8.556 9.668 -1.174
57 H SER 8 H SER 8 -0.086 8.177 -4.206
58 HA SER 8 HA SER 8 1.363 10.579 -4.248
59 HB2 SER 8 HB2 SER 8 2.144 8.059 -4.273
60 HB3 SER 8 HB3 SER 8 2.160 8.302 -6.019
61 HG SER 8 HG SER 8 3.953 9.350 -5.786
62 H SER 9 H SER 9 -0.374 8.850 -6.782
63 HA SER 9 HA SER 9 0.521 10.368 -8.971
64 HB2 SER 9 HB2 SER 9 -1.460 8.333 -8.476
65 HB3 SER 9 HB3 SER 9 -2.133 9.588 -9.516
66 HG SER 9 HG SER 9 -1.006 7.881 -10.644
67 H LEU 10 H LEU 10 -2.353 10.729 -6.913
68 HA LEU 10 HA LEU 10 -3.419 12.974 -8.226
69 HB2 LEU 10 HB2 LEU 10 -3.695 12.340 -5.297
70 HB3 LEU 10 HB3 LEU 10 -4.807 13.265 -6.305
71 HG LEU 10 HG LEU 10 -4.263 10.323 -6.677
72 HD11 LEU 10 HD11 LEU 10 -5.864 11.691 -4.695
73 HD12 LEU 10 HD12 LEU 10 -5.470 9.979 -4.843
74 HD13 LEU 10 HD13 LEU 10 -6.846 10.646 -5.722
75 HD21 LEU 10 HD21 LEU 10 -5.784 10.357 -8.343
76 HD22 LEU 10 HD22 LEU 10 -5.300 12.049 -8.459
77 HD23 LEU 10 HD23 LEU 10 -6.762 11.607 -7.575
78 H ARG 11 H ARG 11 -1.151 12.680 -5.531
79 HA ARG 11 HA ARG 11 -0.997 15.320 -4.724
80 HB2 ARG 11 HB2 ARG 11 0.132 13.416 -3.603
81 HB3 ARG 11 HB3 ARG 11 1.303 13.367 -4.914
82 HG2 ARG 11 HG2 ARG 11 1.951 15.699 -4.337
83 HG3 ARG 11 HG3 ARG 11 0.885 15.594 -2.935
84 HD2 ARG 11 HD2 ARG 11 2.222 14.032 -1.872
85 HD3 ARG 11 HD3 ARG 11 2.976 13.506 -3.377
86 HE ARG 11 HE ARG 11 3.686 16.168 -2.954
87 HH11 ARG 11 HH11 ARG 11 4.182 13.053 -1.479
88 HH12 ARG 11 HH12 ARG 11 5.727 13.468 -0.816
89 HH21 ARG 11 HH21 ARG 11 5.720 16.726 -2.086
90 HH22 ARG 11 HH22 ARG 11 6.601 15.558 -1.160
91 H LYS 12 H LYS 12 0.734 13.706 -7.360
92 HA LYS 12 HA LYS 12 2.388 15.835 -8.105
93 HB2 LYS 12 HB2 LYS 12 1.455 13.326 -9.328
94 HB3 LYS 12 HB3 LYS 12 1.907 14.574 -10.481
95 HG2 LYS 12 HG2 LYS 12 3.770 13.081 -9.971
96 HG3 LYS 12 HG3 LYS 12 4.108 14.742 -9.478
97 HD2 LYS 12 HD2 LYS 12 2.864 13.037 -7.423
98 HD3 LYS 12 HD3 LYS 12 4.500 12.578 -7.901
99 HE2 LYS 12 HE2 LYS 12 4.640 15.325 -7.637
100 HE3 LYS 12 HE3 LYS 12 3.580 14.836 -6.316
101 HZ1 LYS 12 HZ1 LYS 12 5.972 13.232 -6.673
102 HZ2 LYS 12 HZ2 LYS 12 5.244 13.789 -5.252
103 HZ3 LYS 12 HZ3 LYS 12 6.234 14.821 -6.156
104 H GLY 13 H GLY 13 -0.922 15.034 -9.053
105 HA2 GLY 13 HA2 GLY 13 -1.199 16.974 -11.078
106 HA3 GLY 13 HA3 GLY 13 -2.518 16.240 -10.178
107 H PHE 14 H PHE 14 -2.129 17.095 -7.643
108 HA PHE 14 HA PHE 14 -3.096 19.749 -7.740
109 HB2 PHE 14 HB2 PHE 14 -3.650 18.074 -5.963
110 HB3 PHE 14 HB3 PHE 14 -2.021 18.280 -5.326
111 HD1 PHE 14 HD1 PHE 14 -1.342 20.457 -4.362
112 HD2 PHE 14 HD2 PHE 14 -5.358 19.650 -5.520
113 HE1 PHE 14 HE1 PHE 14 -2.112 22.360 -3.005
114 HE2 PHE 14 HE2 PHE 14 -6.134 21.552 -4.166
115 HZ PHE 14 HZ PHE 14 -4.511 22.910 -2.907
116 H TYR 15 H TYR 15 0.076 18.388 -7.339
117 HA TYR 15 HA TYR 15 1.441 20.458 -6.108
118 HB2 TYR 15 HB2 TYR 15 2.182 18.071 -7.099
119 HB3 TYR 15 HB3 TYR 15 2.819 19.113 -8.366
120 HD1 TYR 15 HD2 TYR 15 4.128 21.254 -7.379
121 HD2 TYR 15 HD1 TYR 15 3.616 17.532 -5.382
122 HE1 TYR 15 HE2 TYR 15 6.107 21.730 -5.998
123 HE2 TYR 15 HE1 TYR 15 5.593 17.998 -3.995
124 HH TYR 15 HH TYR 15 7.860 20.162 -4.692
125 H ASP 16 H ASP 16 0.318 20.172 -9.406
126 HA ASP 16 HA ASP 16 1.512 22.792 -10.026
127 HB2 ASP 16 HB2 ASP 16 1.920 20.596 -11.449
128 HB3 ASP 16 HB3 ASP 16 0.370 21.040 -12.158
129 H GLY 17 H GLY 17 -0.994 22.257 -8.534
130 HA2 GLY 17 HA2 GLY 17 -2.923 23.478 -10.407
131 HA3 GLY 17 HA3 GLY 17 -3.373 22.497 -9.020
132 H GLU 18 H GLU 18 -2.164 23.476 -6.919
133 HA GLU 18 HA GLU 18 -3.292 26.147 -6.680
134 HB2 GLU 18 HB2 GLU 18 -3.560 24.166 -5.004
135 HB3 GLU 18 HB3 GLU 18 -1.973 24.662 -4.433
136 HG2 GLU 18 HG2 GLU 18 -3.320 25.841 -3.022
137 HG3 GLU 18 HG3 GLU 18 -3.083 27.023 -4.308
138 H ALA 19 H ALA 19 -0.188 24.522 -6.077
139 HA ALA 19 HA ALA 19 1.235 26.837 -5.330
140 HB1 ALA 19 HB1 ALA 19 3.153 25.522 -5.376
141 HB2 ALA 19 HB2 ALA 19 1.870 24.359 -5.039
142 HB3 ALA 19 HB3 ALA 19 2.534 24.492 -6.667
143 H GLY 20 H GLY 20 0.288 25.578 -8.414
144 HA2 GLY 20 HA2 GLY 20 2.218 26.726 -10.080
145 HA3 GLY 20 HA3 GLY 20 0.560 26.376 -10.548
146 H ARG 21 H ARG 21 -0.538 28.165 -8.480
147 HA ARG 21 HA ARG 21 -0.279 30.632 -9.999
148 HB2 ARG 21 HB2 ARG 21 -2.524 29.878 -9.475
149 HB3 ARG 21 HB3 ARG 21 -2.144 29.836 -7.758
150 HG2 ARG 21 HG2 ARG 21 -1.895 32.243 -7.721
151 HG3 ARG 21 HG3 ARG 21 -2.178 32.318 -9.462
152 HD2 ARG 21 HD2 ARG 21 -4.334 32.599 -8.973
153 HD3 ARG 21 HD3 ARG 21 -4.347 30.900 -8.503
154 HE ARG 21 HE ARG 21 -3.485 32.606 -6.382
155 HH11 ARG 21 HH11 ARG 21 -6.286 31.383 -8.048
156 HH12 ARG 21 HH12 ARG 21 -7.343 31.582 -6.689
157 HH21 ARG 21 HH21 ARG 21 -4.865 32.873 -4.586
158 HH22 ARG 21 HH22 ARG 21 -6.534 32.430 -4.721
159 H ALA 22 H ALA 22 0.228 29.448 -6.706
160 HA ALA 22 HA ALA 22 2.082 31.646 -6.234
161 HB1 ALA 22 HB1 ALA 22 -0.300 32.243 -5.437
162 HB2 ALA 22 HB2 ALA 22 0.023 31.102 -4.130
163 HB3 ALA 22 HB3 ALA 22 1.057 32.515 -4.343
164 H ILE 23 H ILE 23 3.886 30.783 -5.468
165 HA ILE 23 HA ILE 23 3.824 28.147 -4.234
166 HB ILE 23 HB ILE 23 6.244 29.836 -4.864
167 HG12 ILE 23 HG12 ILE 23 4.918 27.705 -6.554
168 HG13 ILE 23 HG13 ILE 23 4.910 29.431 -6.895
169 HG21 ILE 23 HG21 ILE 23 5.901 26.890 -4.325
170 HG22 ILE 23 HG22 ILE 23 7.403 27.654 -4.839
171 HG23 ILE 23 HG23 ILE 23 6.692 28.070 -3.280
172 HD11 ILE 23 HD11 ILE 23 7.409 29.315 -7.017
173 HD12 ILE 23 HD12 ILE 23 7.257 27.559 -6.934
174 HD13 ILE 23 HD13 ILE 23 6.547 28.443 -8.284
175 H ARG 24 H ARG 24 4.982 31.419 -3.469
176 HA ARG 24 HA ARG 24 4.917 30.673 -0.620
177 HB2 ARG 24 HB2 ARG 24 7.138 31.603 -2.165
178 HB3 ARG 24 HB3 ARG 24 6.723 32.831 -0.978
179 HG2 ARG 24 HG2 ARG 24 8.393 31.329 -0.089
180 HG3 ARG 24 HG3 ARG 24 6.879 31.152 0.801
181 HD2 ARG 24 HD2 ARG 24 6.344 29.147 -0.449
182 HD3 ARG 24 HD3 ARG 24 7.790 29.348 -1.437
183 HE ARG 24 HE ARG 24 8.526 29.224 1.274
184 HH11 ARG 24 HH11 ARG 24 7.283 27.204 -1.275
185 HH12 ARG 24 HH12 ARG 24 7.973 25.749 -0.636
186 HH21 ARG 24 HH21 ARG 24 9.439 27.315 2.125
187 HH22 ARG 24 HH22 ARG 24 9.198 25.813 1.299
188 H ARG 25 H ARG 25 4.950 33.470 -2.830
189 HA ARG 25 HA ARG 25 3.516 35.085 -0.899
190 HB2 ARG 25 HB2 ARG 25 4.961 35.548 -3.424
191 HB3 ARG 25 HB3 ARG 25 3.557 36.578 -3.178
192 HG2 ARG 25 HG2 ARG 25 4.451 37.526 -1.233
193 HG3 ARG 25 HG3 ARG 25 5.664 36.255 -1.071
194 HD2 ARG 25 HD2 ARG 25 7.073 37.238 -2.531
195 HD3 ARG 25 HD3 ARG 25 5.767 37.775 -3.586
196 HE ARG 25 HE ARG 25 5.600 39.329 -1.314
197 HH11 ARG 25 HH11 ARG 25 7.953 38.708 -3.804
198 HH12 ARG 25 HH12 ARG 25 8.665 40.284 -3.706
199 HH21 ARG 25 HH21 ARG 25 6.529 41.407 -1.175
200 HH22 ARG 25 HH22 ARG 25 7.855 41.819 -2.210
Start of MODEL 18
1 H1 GLY 1 H GLY 1 4.775 1.167 -2.354
2 HA2 GLY 1 HA2 GLY 1 3.971 -1.531 -1.482
3 HA3 GLY 1 HA3 GLY 1 3.099 -0.048 -1.121
4 H ALA 2 H ALA 2 1.451 0.531 -2.405
5 HA ALA 2 HA ALA 2 1.244 0.031 -5.152
6 HB1 ALA 2 HB1 ALA 2 0.786 -2.281 -3.672
7 HB2 ALA 2 HB2 ALA 2 -0.819 -1.703 -4.121
8 HB3 ALA 2 HB3 ALA 2 0.389 -2.009 -5.369
9 H TRP 3 H TRP 3 -0.421 0.480 -2.092
10 HA TRP 3 HA TRP 3 -2.729 1.703 -3.326
11 HB2 TRP 3 HB2 TRP 3 -3.519 2.045 -1.042
12 HB3 TRP 3 HB3 TRP 3 -2.948 0.392 -1.249
13 HD1 TRP 3 HD1 TRP 3 -0.897 -0.387 0.205
14 HE1 TRP 3 HE1 TRP 3 0.376 0.678 2.172
15 HE3 TRP 3 HE3 TRP 3 -2.723 4.377 -0.131
16 HZ2 TRP 3 HZ2 TRP 3 0.578 3.204 3.417
17 HZ3 TRP 3 HZ3 TRP 3 -1.939 6.057 1.487
18 HH2 TRP 3 HH2 TRP 3 -0.323 5.480 3.224
19 H LYS 4 H LYS 4 0.225 2.731 -1.747
20 HA LYS 4 HA LYS 4 -0.509 5.469 -1.463
21 HB2 LYS 4 HB2 LYS 4 1.300 4.300 -0.166
22 HB3 LYS 4 HB3 LYS 4 2.280 4.319 -1.626
23 HG2 LYS 4 HG2 LYS 4 2.332 6.717 -1.630
24 HG3 LYS 4 HG3 LYS 4 1.192 6.784 -0.284
25 HD2 LYS 4 HD2 LYS 4 3.794 5.328 -0.002
26 HD3 LYS 4 HD3 LYS 4 3.726 7.082 0.183
27 HE2 LYS 4 HE2 LYS 4 1.703 6.460 1.777
28 HE3 LYS 4 HE3 LYS 4 2.582 4.936 1.893
29 HZ1 LYS 4 HZ1 LYS 4 3.257 7.544 2.951
30 HZ2 LYS 4 HZ2 LYS 4 4.549 6.713 2.243
31 HZ3 LYS 4 HZ3 LYS 4 3.681 6.004 3.511
32 H ASN 5 H ASN 5 0.823 3.554 -4.038
33 HA ASN 5 HA ASN 5 2.072 5.444 -5.613
34 HB2 ASN 5 HB2 ASN 5 1.984 3.001 -6.090
35 HB3 ASN 5 HB3 ASN 5 0.314 3.193 -6.612
36 HD21 ASN 5 HD21 ASN 5 -0.118 3.986 -8.606
37 HD22 ASN 5 HD22 ASN 5 1.097 4.371 -9.773
38 H PHE 6 H PHE 6 -1.380 4.601 -5.542
39 HA PHE 6 HA PHE 6 -2.235 6.335 -7.556
40 HB2 PHE 6 HB2 PHE 6 -3.725 4.639 -6.744
41 HB3 PHE 6 HB3 PHE 6 -3.667 5.290 -5.110
42 HD1 PHE 6 HD2 PHE 6 -4.175 6.995 -8.379
43 HD2 PHE 6 HD1 PHE 6 -5.814 5.955 -4.591
44 HE1 PHE 6 HE2 PHE 6 -6.156 8.372 -8.862
45 HE2 PHE 6 HE1 PHE 6 -7.798 7.329 -5.068
46 HZ PHE 6 HZ PHE 6 -7.971 8.541 -7.206
47 H TRP 7 H TRP 7 -2.126 6.853 -4.037
48 HA TRP 7 HA TRP 7 -3.093 9.476 -4.036
49 HB2 TRP 7 HB2 TRP 7 -1.145 8.179 -2.117
50 HB3 TRP 7 HB3 TRP 7 -2.030 9.672 -1.815
51 HD1 TRP 7 HD1 TRP 7 -2.192 6.335 -0.696
52 HE1 TRP 7 HE1 TRP 7 -4.583 5.568 -0.132
53 HE3 TRP 7 HE3 TRP 7 -4.812 9.984 -3.138
54 HZ2 TRP 7 HZ2 TRP 7 -7.230 6.400 -0.654
55 HZ3 TRP 7 HZ3 TRP 7 -7.270 9.925 -3.057
56 HH2 TRP 7 HH2 TRP 7 -8.452 8.170 -1.840
57 H SER 8 H SER 8 0.159 8.211 -4.501
58 HA SER 8 HA SER 8 1.589 10.606 -4.294
59 HB2 SER 8 HB2 SER 8 2.598 8.319 -4.399
60 HB3 SER 8 HB3 SER 8 2.231 8.281 -6.123
61 HG SER 8 HG SER 8 4.414 9.090 -5.246
62 H SER 9 H SER 9 -0.100 9.146 -7.026
63 HA SER 9 HA SER 9 0.804 10.966 -8.991
64 HB2 SER 9 HB2 SER 9 -1.591 9.140 -8.828
65 HB3 SER 9 HB3 SER 9 -1.302 10.176 -10.225
66 HG SER 9 HG SER 9 0.895 9.124 -10.155
67 H LEU 10 H LEU 10 -2.271 10.814 -7.195
68 HA LEU 10 HA LEU 10 -3.437 13.116 -8.211
69 HB2 LEU 10 HB2 LEU 10 -3.691 12.127 -5.377
70 HB3 LEU 10 HB3 LEU 10 -4.849 13.116 -6.265
71 HG LEU 10 HG LEU 10 -4.146 10.267 -6.962
72 HD11 LEU 10 HD11 LEU 10 -5.767 11.269 -4.859
73 HD12 LEU 10 HD12 LEU 10 -5.528 9.597 -5.368
74 HD13 LEU 10 HD13 LEU 10 -6.823 10.559 -6.081
75 HD21 LEU 10 HD21 LEU 10 -5.732 10.372 -8.618
76 HD22 LEU 10 HD22 LEU 10 -5.071 12.005 -8.691
77 HD23 LEU 10 HD23 LEU 10 -6.597 11.708 -7.858
78 H ARG 11 H ARG 11 -1.325 12.753 -5.379
79 HA ARG 11 HA ARG 11 -1.376 15.351 -4.434
80 HB2 ARG 11 HB2 ARG 11 0.689 13.185 -4.385
81 HB3 ARG 11 HB3 ARG 11 1.106 14.786 -3.788
82 HG2 ARG 11 HG2 ARG 11 -0.333 14.646 -2.001
83 HG3 ARG 11 HG3 ARG 11 -1.367 13.454 -2.792
84 HD2 ARG 11 HD2 ARG 11 -0.311 11.897 -1.603
85 HD3 ARG 11 HD3 ARG 11 1.107 12.209 -2.603
86 HE ARG 11 HE ARG 11 2.096 13.205 -0.803
87 HH11 ARG 11 HH11 ARG 11 -1.339 13.060 -0.256
88 HH12 ARG 11 HH12 ARG 11 -1.236 13.644 1.372
89 HH21 ARG 11 HH21 ARG 11 2.245 13.975 1.339
90 HH22 ARG 11 HH22 ARG 11 0.803 14.165 2.277
91 H LYS 12 H LYS 12 1.045 13.973 -6.665
92 HA LYS 12 HA LYS 12 2.409 16.323 -7.230
93 HB2 LYS 12 HB2 LYS 12 2.126 13.679 -8.488
94 HB3 LYS 12 HB3 LYS 12 2.579 14.966 -9.598
95 HG2 LYS 12 HG2 LYS 12 4.538 13.831 -8.716
96 HG3 LYS 12 HG3 LYS 12 4.494 15.518 -8.198
97 HD2 LYS 12 HD2 LYS 12 3.199 13.587 -6.384
98 HD3 LYS 12 HD3 LYS 12 4.951 13.438 -6.536
99 HE2 LYS 12 HE2 LYS 12 4.894 16.034 -6.205
100 HE3 LYS 12 HE3 LYS 12 3.317 15.707 -5.489
101 HZ1 LYS 12 HZ1 LYS 12 5.607 15.639 -4.129
102 HZ2 LYS 12 HZ2 LYS 12 5.482 14.011 -4.570
103 HZ3 LYS 12 HZ3 LYS 12 4.236 14.748 -3.695
104 H GLY 13 H GLY 13 -0.614 15.113 -8.515
105 HA2 GLY 13 HA2 GLY 13 -0.799 16.838 -10.751
106 HA3 GLY 13 HA3 GLY 13 -2.144 16.026 -9.964
107 H PHE 14 H PHE 14 -2.327 17.078 -7.538
108 HA PHE 14 HA PHE 14 -3.426 19.643 -8.012
109 HB2 PHE 14 HB2 PHE 14 -4.261 18.051 -6.288
110 HB3 PHE 14 HB3 PHE 14 -2.801 18.349 -5.350
111 HD1 PHE 14 HD2 PHE 14 -2.390 20.615 -4.409
112 HD2 PHE 14 HD1 PHE 14 -6.083 19.547 -6.236
113 HE1 PHE 14 HE2 PHE 14 -3.477 22.537 -3.326
114 HE2 PHE 14 HE1 PHE 14 -7.176 21.469 -5.157
115 HZ PHE 14 HZ PHE 14 -5.874 22.966 -3.698
116 H TYR 15 H TYR 15 -0.317 18.547 -6.947
117 HA TYR 15 HA TYR 15 0.635 20.757 -5.568
118 HB2 TYR 15 HB2 TYR 15 1.716 18.405 -6.225
119 HB3 TYR 15 HB3 TYR 15 2.494 19.398 -7.453
120 HD1 TYR 15 HD2 TYR 15 3.622 21.597 -6.557
121 HD2 TYR 15 HD1 TYR 15 2.711 18.214 -4.144
122 HE1 TYR 15 HE2 TYR 15 5.297 22.328 -4.911
123 HE2 TYR 15 HE1 TYR 15 4.382 18.936 -2.490
124 HH TYR 15 HH TYR 15 6.754 21.023 -3.064
125 H ASP 16 H ASP 16 0.106 20.307 -8.976
126 HA ASP 16 HA ASP 16 1.393 22.884 -9.555
127 HB2 ASP 16 HB2 ASP 16 1.684 20.540 -10.872
128 HB3 ASP 16 HB3 ASP 16 0.350 21.240 -11.784
129 H GLY 17 H GLY 17 -1.113 22.807 -8.197
130 HA2 GLY 17 HA2 GLY 17 -2.799 24.095 -10.250
131 HA3 GLY 17 HA3 GLY 17 -3.493 22.995 -9.066
132 H GLU 18 H GLU 18 -2.471 23.691 -6.720
133 HA GLU 18 HA GLU 18 -3.585 26.348 -6.313
134 HB2 GLU 18 HB2 GLU 18 -4.194 24.337 -4.893
135 HB3 GLU 18 HB3 GLU 18 -2.580 24.440 -4.204
136 HG2 GLU 18 HG2 GLU 18 -3.264 25.965 -2.763
137 HG3 GLU 18 HG3 GLU 18 -3.780 27.015 -4.081
138 H ALA 19 H ALA 19 -0.554 24.604 -5.790
139 HA ALA 19 HA ALA 19 0.814 26.762 -4.553
140 HB1 ALA 19 HB1 ALA 19 2.779 25.443 -4.752
141 HB2 ALA 19 HB2 ALA 19 1.448 24.336 -4.412
142 HB3 ALA 19 HB3 ALA 19 2.078 24.479 -6.053
143 H GLY 20 H GLY 20 0.129 25.939 -7.845
144 HA2 GLY 20 HA2 GLY 20 2.206 27.229 -9.188
145 HA3 GLY 20 HA3 GLY 20 0.579 27.019 -9.819
146 H ARG 21 H ARG 21 -0.548 28.564 -7.528
147 HA ARG 21 HA ARG 21 -0.414 31.139 -8.768
148 HB2 ARG 21 HB2 ARG 21 -1.868 29.984 -6.418
149 HB3 ARG 21 HB3 ARG 21 -1.809 31.729 -6.627
150 HG2 ARG 21 HG2 ARG 21 -2.544 30.367 -9.076
151 HG3 ARG 21 HG3 ARG 21 -3.642 29.997 -7.745
152 HD2 ARG 21 HD2 ARG 21 -2.879 32.830 -8.038
153 HD3 ARG 21 HD3 ARG 21 -3.874 32.165 -9.333
154 HE ARG 21 HE ARG 21 -5.178 31.376 -7.106
155 HH11 ARG 21 HH11 ARG 21 -3.979 34.459 -8.191
156 HH12 ARG 21 HH12 ARG 21 -5.207 35.370 -7.376
157 HH21 ARG 21 HH21 ARG 21 -6.800 32.564 -6.029
158 HH22 ARG 21 HH22 ARG 21 -6.811 34.291 -6.146
159 H ALA 22 H ALA 22 0.697 29.791 -5.681
160 HA ALA 22 HA ALA 22 2.914 31.574 -5.564
161 HB1 ALA 22 HB1 ALA 22 1.984 32.442 -3.217
162 HB2 ALA 22 HB2 ALA 22 1.719 33.310 -4.729
163 HB3 ALA 22 HB3 ALA 22 0.454 32.270 -4.076
164 H ILE 23 H ILE 23 4.417 30.227 -4.838
165 HA ILE 23 HA ILE 23 3.805 27.948 -3.226
166 HB ILE 23 HB ILE 23 6.513 29.111 -3.888
167 HG12 ILE 23 HG12 ILE 23 4.977 26.909 -5.283
168 HG13 ILE 23 HG13 ILE 23 5.143 28.553 -5.889
169 HG21 ILE 23 HG21 ILE 23 5.688 26.385 -2.898
170 HG22 ILE 23 HG22 ILE 23 7.308 26.811 -3.447
171 HG23 ILE 23 HG23 ILE 23 6.628 27.591 -2.020
172 HD11 ILE 23 HD11 ILE 23 7.072 26.330 -5.879
173 HD12 ILE 23 HD12 ILE 23 6.834 27.631 -7.046
174 HD13 ILE 23 HD13 ILE 23 7.726 27.936 -5.556
175 H ARG 24 H ARG 24 5.966 30.724 -2.610
176 HA ARG 24 HA ARG 24 5.333 30.445 0.255
177 HB2 ARG 24 HB2 ARG 24 7.625 31.530 0.589
178 HB3 ARG 24 HB3 ARG 24 7.599 29.852 0.066
179 HG2 ARG 24 HG2 ARG 24 7.733 31.951 -2.025
180 HG3 ARG 24 HG3 ARG 24 9.176 31.648 -1.056
181 HD2 ARG 24 HD2 ARG 24 7.772 29.278 -2.134
182 HD3 ARG 24 HD3 ARG 24 8.604 30.304 -3.302
183 HE ARG 24 HE ARG 24 9.804 28.550 -1.392
184 HH11 ARG 24 HH11 ARG 24 10.252 31.509 -3.170
185 HH12 ARG 24 HH12 ARG 24 11.982 31.429 -3.122
186 HH21 ARG 24 HH21 ARG 24 12.081 28.433 -1.322
187 HH22 ARG 24 HH22 ARG 24 13.021 29.679 -2.071
188 H ARG 25 H ARG 25 5.938 32.646 -2.416
189 HA ARG 25 HA ARG 25 5.657 35.042 -0.907
190 HB2 ARG 25 HB2 ARG 25 5.530 36.163 -3.067
191 HB3 ARG 25 HB3 ARG 25 6.822 34.970 -3.073
192 HG2 ARG 25 HG2 ARG 25 5.352 33.407 -4.269
193 HG3 ARG 25 HG3 ARG 25 4.092 34.642 -4.299
194 HD2 ARG 25 HD2 ARG 25 6.802 34.762 -5.611
195 HD3 ARG 25 HD3 ARG 25 5.234 34.656 -6.410
196 HE ARG 25 HE ARG 25 5.136 36.946 -4.893
197 HH11 ARG 25 HH11 ARG 25 7.131 35.712 -7.465
198 HH12 ARG 25 HH12 ARG 25 7.497 37.279 -8.109
199 HH21 ARG 25 HH21 ARG 25 5.610 39.014 -5.731
200 HH22 ARG 25 HH22 ARG 25 6.632 39.156 -7.121
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.812 0.504 -1.167
2 HA2 GLY 1 HA2 GLY 1 3.139 -2.364 -1.077
3 HA3 GLY 1 HA3 GLY 1 1.625 -1.800 -0.386
4 H ALA 2 H ALA 2 0.541 -0.061 -1.899
5 HA ALA 2 HA ALA 2 0.905 -0.184 -4.673
6 HB1 ALA 2 HB1 ALA 2 0.283 -2.417 -4.782
7 HB2 ALA 2 HB2 ALA 2 -0.946 -2.240 -3.529
8 HB3 ALA 2 HB3 ALA 2 -1.224 -1.570 -5.136
9 H TRP 3 H TRP 3 -1.342 0.162 -1.995
10 HA TRP 3 HA TRP 3 -3.228 1.766 -3.413
11 HB2 TRP 3 HB2 TRP 3 -4.196 2.214 -1.204
12 HB3 TRP 3 HB3 TRP 3 -3.860 0.497 -1.410
13 HD1 TRP 3 HD1 TRP 3 -2.060 -0.601 0.182
14 HE1 TRP 3 HE1 TRP 3 -0.872 0.218 2.313
15 HE3 TRP 3 HE3 TRP 3 -3.228 4.368 -0.096
16 HZ2 TRP 3 HZ2 TRP 3 -0.483 2.648 3.694
17 HZ3 TRP 3 HZ3 TRP 3 -2.410 5.873 1.670
18 HH2 TRP 3 HH2 TRP 3 -1.066 5.029 3.526
19 H LYS 4 H LYS 4 -0.404 2.424 -1.424
20 HA LYS 4 HA LYS 4 -0.786 5.200 -1.123
21 HB2 LYS 4 HB2 LYS 4 0.832 3.740 0.158
22 HB3 LYS 4 HB3 LYS 4 1.873 3.775 -1.258
23 HG2 LYS 4 HG2 LYS 4 1.856 6.286 -1.067
24 HG3 LYS 4 HG3 LYS 4 1.070 6.076 0.499
25 HD2 LYS 4 HD2 LYS 4 2.958 5.315 1.493
26 HD3 LYS 4 HD3 LYS 4 3.512 4.479 0.041
27 HE2 LYS 4 HE2 LYS 4 3.492 7.469 0.153
28 HE3 LYS 4 HE3 LYS 4 4.808 6.560 0.896
29 HZ1 LYS 4 HZ1 LYS 4 4.931 5.398 -1.374
30 HZ2 LYS 4 HZ2 LYS 4 5.569 6.958 -1.234
31 HZ3 LYS 4 HZ3 LYS 4 4.054 6.726 -1.949
32 H ASN 5 H ASN 5 0.621 3.263 -3.684
33 HA ASN 5 HA ASN 5 2.027 5.166 -5.109
34 HB2 ASN 5 HB2 ASN 5 0.695 2.613 -5.745
35 HB3 ASN 5 HB3 ASN 5 0.930 3.687 -7.121
36 HD21 ASN 5 HD21 ASN 5 2.616 2.965 -8.202
37 HD22 ASN 5 HD22 ASN 5 4.147 2.536 -7.525
38 H PHE 6 H PHE 6 -1.437 4.409 -5.279
39 HA PHE 6 HA PHE 6 -2.129 6.155 -7.338
40 HB2 PHE 6 HB2 PHE 6 -3.579 4.375 -6.237
41 HB3 PHE 6 HB3 PHE 6 -3.894 5.552 -4.966
42 HD1 PHE 6 HD2 PHE 6 -4.804 7.856 -5.752
43 HD2 PHE 6 HD1 PHE 6 -4.951 4.300 -8.087
44 HE1 PHE 6 HE2 PHE 6 -6.628 8.817 -7.094
45 HE2 PHE 6 HE1 PHE 6 -6.775 5.256 -9.434
46 HZ PHE 6 HZ PHE 6 -7.617 7.516 -8.937
47 H TRP 7 H TRP 7 -2.004 6.713 -3.837
48 HA TRP 7 HA TRP 7 -2.971 9.339 -3.842
49 HB2 TRP 7 HB2 TRP 7 -1.089 7.908 -1.963
50 HB3 TRP 7 HB3 TRP 7 -1.685 9.538 -1.663
51 HD1 TRP 7 HD1 TRP 7 -2.370 6.303 -0.446
52 HE1 TRP 7 HE1 TRP 7 -4.827 5.977 0.246
53 HE3 TRP 7 HE3 TRP 7 -4.433 10.305 -2.868
54 HZ2 TRP 7 HZ2 TRP 7 -7.312 7.248 -0.179
55 HZ3 TRP 7 HZ3 TRP 7 -6.857 10.679 -2.674
56 HH2 TRP 7 HH2 TRP 7 -8.265 9.181 -1.358
57 H SER 8 H SER 8 0.304 8.075 -4.244
58 HA SER 8 HA SER 8 1.721 10.469 -4.133
59 HB2 SER 8 HB2 SER 8 2.321 8.060 -5.868
60 HB3 SER 8 HB3 SER 8 3.471 9.312 -5.398
61 HG SER 8 HG SER 8 3.752 7.658 -3.973
62 H SER 9 H SER 9 -0.057 8.991 -6.784
63 HA SER 9 HA SER 9 0.852 10.709 -8.832
64 HB2 SER 9 HB2 SER 9 -0.752 8.475 -8.725
65 HB3 SER 9 HB3 SER 9 -1.903 9.746 -9.136
66 HG SER 9 HG SER 9 -1.125 9.681 -11.074
67 H LEU 10 H LEU 10 -2.188 10.749 -6.968
68 HA LEU 10 HA LEU 10 -3.251 13.090 -8.010
69 HB2 LEU 10 HB2 LEU 10 -3.525 12.237 -5.139
70 HB3 LEU 10 HB3 LEU 10 -4.671 13.166 -6.103
71 HG LEU 10 HG LEU 10 -4.001 10.244 -6.449
72 HD11 LEU 10 HD11 LEU 10 -5.697 9.787 -5.091
73 HD12 LEU 10 HD12 LEU 10 -6.758 10.916 -5.933
74 HD13 LEU 10 HD13 LEU 10 -5.708 11.492 -4.639
75 HD21 LEU 10 HD21 LEU 10 -4.582 10.714 -8.581
76 HD22 LEU 10 HD22 LEU 10 -5.434 12.195 -8.141
77 HD23 LEU 10 HD23 LEU 10 -6.213 10.628 -7.916
78 H ARG 11 H ARG 11 -0.837 12.632 -5.506
79 HA ARG 11 HA ARG 11 -0.796 15.152 -4.354
80 HB2 ARG 11 HB2 ARG 11 0.737 12.861 -4.166
81 HB3 ARG 11 HB3 ARG 11 1.876 14.050 -4.784
82 HG2 ARG 11 HG2 ARG 11 1.945 15.180 -2.848
83 HG3 ARG 11 HG3 ARG 11 0.217 14.978 -2.550
84 HD2 ARG 11 HD2 ARG 11 1.837 12.525 -2.370
85 HD3 ARG 11 HD3 ARG 11 2.162 13.741 -1.135
86 HE ARG 11 HE ARG 11 -0.114 12.057 -1.297
87 HH11 ARG 11 HH11 ARG 11 0.878 15.276 -0.419
88 HH12 ARG 11 HH12 ARG 11 -0.408 15.503 0.719
89 HH21 ARG 11 HH21 ARG 11 -1.812 12.343 0.199
90 HH22 ARG 11 HH22 ARG 11 -1.937 13.833 1.070
91 H LYS 12 H LYS 12 0.937 13.999 -7.232
92 HA LYS 12 HA LYS 12 2.358 16.335 -7.794
93 HB2 LYS 12 HB2 LYS 12 1.573 13.910 -9.263
94 HB3 LYS 12 HB3 LYS 12 1.853 15.315 -10.282
95 HG2 LYS 12 HG2 LYS 12 3.872 14.000 -10.071
96 HG3 LYS 12 HG3 LYS 12 4.082 15.576 -9.304
97 HD2 LYS 12 HD2 LYS 12 3.105 13.392 -7.569
98 HD3 LYS 12 HD3 LYS 12 4.772 13.256 -8.135
99 HE2 LYS 12 HE2 LYS 12 4.640 15.877 -7.381
100 HE3 LYS 12 HE3 LYS 12 3.577 15.107 -6.203
101 HZ1 LYS 12 HZ1 LYS 12 5.577 14.876 -5.171
102 HZ2 LYS 12 HZ2 LYS 12 6.457 14.766 -6.611
103 HZ3 LYS 12 HZ3 LYS 12 5.571 13.435 -6.057
104 H GLY 13 H GLY 13 -0.917 15.362 -8.709
105 HA2 GLY 13 HA2 GLY 13 -1.481 17.441 -10.498
106 HA3 GLY 13 HA3 GLY 13 -2.678 16.567 -9.553
107 H PHE 14 H PHE 14 -2.158 17.259 -7.004
108 HA PHE 14 HA PHE 14 -3.239 19.869 -6.839
109 HB2 PHE 14 HB2 PHE 14 -3.594 18.005 -5.177
110 HB3 PHE 14 HB3 PHE 14 -1.960 18.305 -4.592
111 HD1 PHE 14 HD1 PHE 14 -1.418 20.427 -3.470
112 HD2 PHE 14 HD2 PHE 14 -5.399 19.440 -4.606
113 HE1 PHE 14 HE1 PHE 14 -2.277 22.170 -1.960
114 HE2 PHE 14 HE2 PHE 14 -6.265 21.181 -3.099
115 HZ PHE 14 HZ PHE 14 -4.704 22.549 -1.774
116 H TYR 15 H TYR 15 0.002 18.600 -6.656
117 HA TYR 15 HA TYR 15 1.345 20.644 -5.366
118 HB2 TYR 15 HB2 TYR 15 2.132 18.355 -6.522
119 HB3 TYR 15 HB3 TYR 15 2.657 19.483 -7.766
120 HD1 TYR 15 HD1 TYR 15 3.954 21.613 -6.769
121 HD2 TYR 15 HD2 TYR 15 3.660 17.808 -4.888
122 HE1 TYR 15 HE1 TYR 15 5.986 22.103 -5.473
123 HE2 TYR 15 HE2 TYR 15 5.690 18.288 -3.585
124 HH TYR 15 HH TYR 15 7.426 21.367 -3.958
125 H ASP 16 H ASP 16 0.108 20.511 -8.637
126 HA ASP 16 HA ASP 16 1.175 23.208 -9.138
127 HB2 ASP 16 HB2 ASP 16 1.517 21.066 -10.712
128 HB3 ASP 16 HB3 ASP 16 -0.024 21.629 -11.352
129 H GLY 17 H GLY 17 -1.245 22.480 -7.574
130 HA2 GLY 17 HA2 GLY 17 -3.295 23.759 -9.272
131 HA3 GLY 17 HA3 GLY 17 -3.650 22.672 -7.938
132 H GLU 18 H GLU 18 -2.330 23.564 -5.842
133 HA GLU 18 HA GLU 18 -3.548 26.165 -5.364
134 HB2 GLU 18 HB2 GLU 18 -3.185 23.856 -3.812
135 HB3 GLU 18 HB3 GLU 18 -2.134 25.070 -3.095
136 HG2 GLU 18 HG2 GLU 18 -4.046 25.483 -1.943
137 HG3 GLU 18 HG3 GLU 18 -4.279 26.574 -3.308
138 H ALA 19 H ALA 19 -0.372 24.630 -5.329
139 HA ALA 19 HA ALA 19 1.022 26.942 -4.399
140 HB1 ALA 19 HB1 ALA 19 2.527 25.350 -4.034
141 HB2 ALA 19 HB2 ALA 19 1.666 24.220 -5.080
142 HB3 ALA 19 HB3 ALA 19 2.848 25.333 -5.769
143 H GLY 20 H GLY 20 -0.073 25.830 -7.490
144 HA2 GLY 20 HA2 GLY 20 1.695 27.086 -9.227
145 HA3 GLY 20 HA3 GLY 20 -0.005 26.801 -9.568
146 H ARG 21 H ARG 21 -0.770 28.480 -7.210
147 HA ARG 21 HA ARG 21 -0.957 30.959 -8.621
148 HB2 ARG 21 HB2 ARG 21 -1.904 29.937 -5.974
149 HB3 ARG 21 HB3 ARG 21 -1.922 31.669 -6.277
150 HG2 ARG 21 HG2 ARG 21 -3.105 30.014 -8.398
151 HG3 ARG 21 HG3 ARG 21 -3.960 30.003 -6.854
152 HD2 ARG 21 HD2 ARG 21 -4.936 31.874 -7.610
153 HD3 ARG 21 HD3 ARG 21 -3.418 32.655 -7.169
154 HE ARG 21 HE ARG 21 -2.991 31.778 -9.707
155 HH11 ARG 21 HH11 ARG 21 -5.427 33.750 -8.192
156 HH12 ARG 21 HH12 ARG 21 -5.734 34.692 -9.613
157 HH21 ARG 21 HH21 ARG 21 -3.386 33.011 -11.585
158 HH22 ARG 21 HH22 ARG 21 -4.573 34.270 -11.543
159 H ALA 22 H ALA 22 0.651 29.967 -5.604
160 HA ALA 22 HA ALA 22 2.801 31.825 -6.080
161 HB1 ALA 22 HB1 ALA 22 2.206 32.614 -3.527
162 HB2 ALA 22 HB2 ALA 22 1.855 33.534 -4.991
163 HB3 ALA 22 HB3 ALA 22 0.611 32.510 -4.274
164 H ILE 23 H ILE 23 4.592 30.813 -5.480
165 HA ILE 23 HA ILE 23 4.439 28.534 -3.689
166 HB ILE 23 HB ILE 23 6.869 29.637 -5.098
167 HG12 ILE 23 HG12 ILE 23 5.970 27.247 -6.312
168 HG13 ILE 23 HG13 ILE 23 4.562 28.291 -6.159
169 HG21 ILE 23 HG21 ILE 23 7.752 27.362 -4.767
170 HG22 ILE 23 HG22 ILE 23 7.414 28.182 -3.244
171 HG23 ILE 23 HG23 ILE 23 6.304 26.953 -3.848
172 HD11 ILE 23 HD11 ILE 23 6.097 30.099 -7.185
173 HD12 ILE 23 HD12 ILE 23 7.077 28.726 -7.701
174 HD13 ILE 23 HD13 ILE 23 5.398 28.859 -8.227
175 H ARG 24 H ARG 24 6.653 31.326 -3.920
176 HA ARG 24 HA ARG 24 6.832 31.294 -0.979
177 HB2 ARG 24 HB2 ARG 24 8.866 31.356 -3.031
178 HB3 ARG 24 HB3 ARG 24 8.996 32.768 -1.991
179 HG2 ARG 24 HG2 ARG 24 10.393 30.992 -1.155
180 HG3 ARG 24 HG3 ARG 24 9.070 31.294 -0.027
181 HD2 ARG 24 HD2 ARG 24 7.959 29.333 -0.617
182 HD3 ARG 24 HD3 ARG 24 8.838 29.182 -2.138
183 HE ARG 24 HE ARG 24 10.744 28.966 -0.176
184 HH11 ARG 24 HH11 ARG 24 7.815 27.283 -1.017
185 HH12 ARG 24 HH12 ARG 24 8.355 25.761 -0.389
186 HH21 ARG 24 HH21 ARG 24 11.466 26.968 0.653
187 HH22 ARG 24 HH22 ARG 24 10.432 25.583 0.561
188 H ARG 25 H ARG 25 7.300 33.559 -3.701
189 HA ARG 25 HA ARG 25 6.834 35.777 -3.922
190 HB2 ARG 25 HB2 ARG 25 4.481 34.458 -3.010
191 HB3 ARG 25 HB3 ARG 25 4.549 36.034 -2.234
192 HG2 ARG 25 HG2 ARG 25 4.673 35.503 -5.195
193 HG3 ARG 25 HG3 ARG 25 3.296 36.150 -4.301
194 HD2 ARG 25 HD2 ARG 25 5.582 37.728 -3.694
195 HD3 ARG 25 HD3 ARG 25 5.483 37.550 -5.445
196 HE ARG 25 HE ARG 25 2.992 38.265 -4.191
197 HH11 ARG 25 HH11 ARG 25 5.955 39.445 -5.587
198 HH12 ARG 25 HH12 ARG 25 5.305 41.004 -5.972
199 HH21 ARG 25 HH21 ARG 25 2.125 40.314 -4.693
200 HH22 ARG 25 HH22 ARG 25 3.127 41.498 -5.462
Start of MODEL 20
1 H1 GLY 1 H GLY 1 3.038 -3.118 -1.186
2 HA2 GLY 1 HA2 GLY 1 2.258 -0.599 -0.616
3 HA3 GLY 1 HA3 GLY 1 3.627 -0.328 -1.684
4 H ALA 2 H ALA 2 0.739 0.247 -2.025
5 HA ALA 2 HA ALA 2 0.504 -0.372 -4.746
6 HB1 ALA 2 HB1 ALA 2 -0.371 -2.472 -2.996
7 HB2 ALA 2 HB2 ALA 2 -1.735 -1.840 -3.918
8 HB3 ALA 2 HB3 ALA 2 -0.305 -2.439 -4.758
9 H TRP 3 H TRP 3 -1.132 0.380 -1.730
10 HA TRP 3 HA TRP 3 -3.298 1.758 -3.064
11 HB2 TRP 3 HB2 TRP 3 -4.121 2.233 -0.822
12 HB3 TRP 3 HB3 TRP 3 -3.674 0.534 -0.948
13 HD1 TRP 3 HD1 TRP 3 -1.676 -0.326 0.556
14 HE1 TRP 3 HE1 TRP 3 -0.403 0.713 2.538
15 HE3 TRP 3 HE3 TRP 3 -3.252 4.514 0.084
16 HZ2 TRP 3 HZ2 TRP 3 -0.108 3.249 3.742
17 HZ3 TRP 3 HZ3 TRP 3 -2.428 6.185 1.692
18 HH2 TRP 3 HH2 TRP 3 -0.889 5.563 3.482
19 H LYS 4 H LYS 4 -0.322 2.562 -1.382
20 HA LYS 4 HA LYS 4 -0.782 5.352 -1.186
21 HB2 LYS 4 HB2 LYS 4 0.920 4.022 0.118
22 HB3 LYS 4 HB3 LYS 4 1.898 3.967 -1.343
23 HG2 LYS 4 HG2 LYS 4 2.459 6.177 -1.221
24 HG3 LYS 4 HG3 LYS 4 0.983 6.618 -0.360
25 HD2 LYS 4 HD2 LYS 4 2.221 4.934 1.414
26 HD3 LYS 4 HD3 LYS 4 3.586 5.776 0.675
27 HE2 LYS 4 HE2 LYS 4 3.157 7.357 2.210
28 HE3 LYS 4 HE3 LYS 4 1.862 7.831 1.111
29 HZ1 LYS 4 HZ1 LYS 4 1.448 7.289 3.660
30 HZ2 LYS 4 HZ2 LYS 4 1.247 5.731 3.034
31 HZ3 LYS 4 HZ3 LYS 4 0.280 6.998 2.470
32 H ASN 5 H ASN 5 0.323 3.286 -3.743
33 HA ASN 5 HA ASN 5 1.743 5.046 -5.344
34 HB2 ASN 5 HB2 ASN 5 0.025 2.659 -5.928
35 HB3 ASN 5 HB3 ASN 5 0.669 3.614 -7.261
36 HD21 ASN 5 HD21 ASN 5 1.662 1.978 -4.285
37 HD22 ASN 5 HD22 ASN 5 3.203 1.465 -4.875
38 H PHE 6 H PHE 6 -1.761 4.417 -5.346
39 HA PHE 6 HA PHE 6 -2.497 6.161 -7.370
40 HB2 PHE 6 HB2 PHE 6 -3.963 4.488 -6.143
41 HB3 PHE 6 HB3 PHE 6 -4.130 5.697 -4.875
42 HD1 PHE 6 HD2 PHE 6 -4.966 8.038 -5.645
43 HD2 PHE 6 HD1 PHE 6 -5.465 4.455 -7.888
44 HE1 PHE 6 HE2 PHE 6 -6.826 9.073 -6.878
45 HE2 PHE 6 HE1 PHE 6 -7.325 5.485 -9.126
46 HZ PHE 6 HZ PHE 6 -8.009 7.797 -8.621
47 H TRP 7 H TRP 7 -2.188 6.809 -3.892
48 HA TRP 7 HA TRP 7 -2.988 9.495 -3.963
49 HB2 TRP 7 HB2 TRP 7 -1.125 8.054 -2.067
50 HB3 TRP 7 HB3 TRP 7 -1.726 9.688 -1.804
51 HD1 TRP 7 HD1 TRP 7 -2.391 6.472 -0.516
52 HE1 TRP 7 HE1 TRP 7 -4.841 6.157 0.207
53 HE3 TRP 7 HE3 TRP 7 -4.481 10.427 -2.990
54 HZ2 TRP 7 HZ2 TRP 7 -7.331 7.418 -0.217
55 HZ3 TRP 7 HZ3 TRP 7 -6.904 10.803 -2.779
56 HH2 TRP 7 HH2 TRP 7 -8.297 9.328 -1.421
57 H SER 8 H SER 8 0.099 7.966 -4.603
58 HA SER 8 HA SER 8 1.745 10.232 -4.500
59 HB2 SER 8 HB2 SER 8 2.429 7.767 -4.693
60 HB3 SER 8 HB3 SER 8 2.160 7.949 -6.427
61 HG SER 8 HG SER 8 4.358 8.342 -5.696
62 H SER 9 H SER 9 -0.246 8.909 -7.090
63 HA SER 9 HA SER 9 0.695 10.606 -9.145
64 HB2 SER 9 HB2 SER 9 -1.083 8.473 -8.971
65 HB3 SER 9 HB3 SER 9 -2.097 9.834 -9.450
66 HG SER 9 HG SER 9 0.073 8.666 -10.793
67 H LEU 10 H LEU 10 -2.280 10.768 -7.187
68 HA LEU 10 HA LEU 10 -3.283 13.155 -8.154
69 HB2 LEU 10 HB2 LEU 10 -3.424 12.306 -5.271
70 HB3 LEU 10 HB3 LEU 10 -4.576 13.304 -6.156
71 HG LEU 10 HG LEU 10 -4.088 10.353 -6.555
72 HD11 LEU 10 HD11 LEU 10 -5.733 9.976 -5.112
73 HD12 LEU 10 HD12 LEU 10 -6.768 11.184 -5.874
74 HD13 LEU 10 HD13 LEU 10 -5.607 11.671 -4.639
75 HD21 LEU 10 HD21 LEU 10 -4.631 11.284 -8.674
76 HD22 LEU 10 HD22 LEU 10 -5.896 12.297 -7.977
77 HD23 LEU 10 HD23 LEU 10 -6.102 10.545 -8.041
78 H ARG 11 H ARG 11 -0.809 12.607 -5.710
79 HA ARG 11 HA ARG 11 -0.578 15.128 -4.612
80 HB2 ARG 11 HB2 ARG 11 0.791 12.813 -4.334
81 HB3 ARG 11 HB3 ARG 11 1.973 13.762 -5.226
82 HG2 ARG 11 HG2 ARG 11 2.448 15.047 -3.462
83 HG3 ARG 11 HG3 ARG 11 0.753 15.196 -2.994
84 HD2 ARG 11 HD2 ARG 11 0.810 13.039 -1.924
85 HD3 ARG 11 HD3 ARG 11 2.449 12.752 -2.509
86 HE ARG 11 HE ARG 11 1.684 14.268 -0.210
87 HH11 ARG 11 HH11 ARG 11 4.089 13.951 -2.708
88 HH12 ARG 11 HH12 ARG 11 5.348 14.683 -1.770
89 HH21 ARG 11 HH21 ARG 11 3.333 15.235 1.034
90 HH22 ARG 11 HH22 ARG 11 4.917 15.413 0.359
91 H LYS 12 H LYS 12 1.085 13.871 -7.498
92 HA LYS 12 HA LYS 12 2.460 16.231 -8.138
93 HB2 LYS 12 HB2 LYS 12 1.777 13.712 -9.522
94 HB3 LYS 12 HB3 LYS 12 2.114 15.082 -10.572
95 HG2 LYS 12 HG2 LYS 12 4.103 13.718 -10.145
96 HG3 LYS 12 HG3 LYS 12 4.288 15.372 -9.555
97 HD2 LYS 12 HD2 LYS 12 3.195 13.474 -7.596
98 HD3 LYS 12 HD3 LYS 12 4.851 13.142 -8.106
99 HE2 LYS 12 HE2 LYS 12 5.081 15.760 -7.703
100 HE3 LYS 12 HE3 LYS 12 3.745 15.446 -6.596
101 HZ1 LYS 12 HZ1 LYS 12 5.890 15.270 -5.490
102 HZ2 LYS 12 HZ2 LYS 12 6.368 14.053 -6.563
103 HZ3 LYS 12 HZ3 LYS 12 5.090 13.779 -5.490
104 H GLY 13 H GLY 13 -0.802 15.159 -8.853
105 HA2 GLY 13 HA2 GLY 13 -1.424 17.024 -10.867
106 HA3 GLY 13 HA3 GLY 13 -2.588 16.230 -9.817
107 H PHE 14 H PHE 14 -2.137 17.164 -7.375
108 HA PHE 14 HA PHE 14 -3.186 19.792 -7.474
109 HB2 PHE 14 HB2 PHE 14 -3.770 18.289 -5.657
110 HB3 PHE 14 HB3 PHE 14 -2.086 18.198 -5.151
111 HD1 PHE 14 HD1 PHE 14 -5.078 20.315 -5.274
112 HD2 PHE 14 HD2 PHE 14 -1.074 19.953 -3.877
113 HE1 PHE 14 HE1 PHE 14 -5.431 22.234 -3.776
114 HE2 PHE 14 HE2 PHE 14 -1.420 21.871 -2.376
115 HZ PHE 14 HZ PHE 14 -3.601 23.014 -2.323
116 H TYR 15 H TYR 15 0.029 18.505 -7.109
117 HA TYR 15 HA TYR 15 1.371 20.630 -5.953
118 HB2 TYR 15 HB2 TYR 15 2.151 18.244 -6.899
119 HB3 TYR 15 HB3 TYR 15 2.721 19.260 -8.219
120 HD1 TYR 15 HD1 TYR 15 4.084 21.397 -7.436
121 HD2 TYR 15 HD2 TYR 15 3.576 17.863 -5.123
122 HE1 TYR 15 HE1 TYR 15 6.092 21.967 -6.136
123 HE2 TYR 15 HE2 TYR 15 5.582 18.423 -3.815
124 HH TYR 15 HH TYR 15 6.974 21.414 -3.773
125 H ASP 16 H ASP 16 0.091 20.305 -9.171
126 HA ASP 16 HA ASP 16 1.270 22.904 -9.900
127 HB2 ASP 16 HB2 ASP 16 0.310 20.618 -11.626
128 HB3 ASP 16 HB3 ASP 16 0.713 22.209 -12.267
129 H GLY 17 H GLY 17 -0.950 22.858 -8.219
130 HA2 GLY 17 HA2 GLY 17 -2.988 24.015 -10.009
131 HA3 GLY 17 HA3 GLY 17 -3.457 22.913 -8.722
132 H GLU 18 H GLU 18 -2.175 23.667 -6.551
133 HA GLU 18 HA GLU 18 -3.275 26.309 -6.030
134 HB2 GLU 18 HB2 GLU 18 -3.690 24.354 -4.507
135 HB3 GLU 18 HB3 GLU 18 -1.985 24.396 -4.081
136 HG2 GLU 18 HG2 GLU 18 -3.098 25.536 -2.364
137 HG3 GLU 18 HG3 GLU 18 -2.354 26.786 -3.359
138 H ALA 19 H ALA 19 -0.166 24.622 -5.813
139 HA ALA 19 HA ALA 19 1.261 26.935 -4.911
140 HB1 ALA 19 HB1 ALA 19 2.606 25.273 -4.290
141 HB2 ALA 19 HB2 ALA 19 1.843 24.140 -5.406
142 HB3 ALA 19 HB3 ALA 19 3.138 25.196 -5.969
143 H GLY 20 H GLY 20 0.355 25.641 -7.991
144 HA2 GLY 20 HA2 GLY 20 2.319 26.721 -9.651
145 HA3 GLY 20 HA3 GLY 20 0.655 26.421 -10.128
146 H ARG 21 H ARG 21 -0.496 28.246 -8.198
147 HA ARG 21 HA ARG 21 -0.125 30.687 -9.708
148 HB2 ARG 21 HB2 ARG 21 -2.357 29.665 -8.834
149 HB3 ARG 21 HB3 ARG 21 -1.916 30.434 -7.315
150 HG2 ARG 21 HG2 ARG 21 -1.591 32.530 -8.904
151 HG3 ARG 21 HG3 ARG 21 -2.761 31.643 -9.884
152 HD2 ARG 21 HD2 ARG 21 -3.623 31.576 -7.175
153 HD3 ARG 21 HD3 ARG 21 -3.224 33.243 -7.587
154 HE ARG 21 HE ARG 21 -4.836 31.951 -9.573
155 HH11 ARG 21 HH11 ARG 21 -4.891 33.660 -6.540
156 HH12 ARG 21 HH12 ARG 21 -6.517 34.224 -6.738
157 HH21 ARG 21 HH21 ARG 21 -6.977 32.688 -9.845
158 HH22 ARG 21 HH22 ARG 21 -7.703 33.670 -8.618
159 H ALA 22 H ALA 22 0.476 29.496 -6.450
160 HA ALA 22 HA ALA 22 2.433 31.565 -6.015
161 HB1 ALA 22 HB1 ALA 22 0.784 31.679 -3.693
162 HB2 ALA 22 HB2 ALA 22 1.236 32.979 -4.796
163 HB3 ALA 22 HB3 ALA 22 -0.206 32.014 -5.114
164 H ILE 23 H ILE 23 4.083 30.647 -4.997
165 HA ILE 23 HA ILE 23 3.625 28.159 -3.520
166 HB ILE 23 HB ILE 23 6.278 29.339 -4.341
167 HG12 ILE 23 HG12 ILE 23 4.593 27.275 -5.778
168 HG13 ILE 23 HG13 ILE 23 4.872 28.926 -6.321
169 HG21 ILE 23 HG21 ILE 23 5.818 26.436 -3.938
170 HG22 ILE 23 HG22 ILE 23 7.253 27.410 -3.625
171 HG23 ILE 23 HG23 ILE 23 5.891 27.464 -2.507
172 HD11 ILE 23 HD11 ILE 23 6.390 27.778 -7.583
173 HD12 ILE 23 HD12 ILE 23 7.384 28.216 -6.193
174 HD13 ILE 23 HD13 ILE 23 6.710 26.591 -6.318
175 H ARG 24 H ARG 24 5.740 31.018 -3.180
176 HA ARG 24 HA ARG 24 5.436 30.768 -0.261
177 HB2 ARG 24 HB2 ARG 24 7.745 31.418 -1.997
178 HB3 ARG 24 HB3 ARG 24 7.607 32.351 -0.513
179 HG2 ARG 24 HG2 ARG 24 9.031 30.381 -0.242
180 HG3 ARG 24 HG3 ARG 24 7.609 30.319 0.802
181 HD2 ARG 24 HD2 ARG 24 6.642 28.611 -0.387
182 HD3 ARG 24 HD3 ARG 24 7.465 29.046 -1.885
183 HE ARG 24 HE ARG 24 8.389 27.233 0.119
184 HH11 ARG 24 HH11 ARG 24 9.417 29.497 -2.317
185 HH12 ARG 24 HH12 ARG 24 10.954 28.736 -2.561
186 HH21 ARG 24 HH21 ARG 24 10.410 26.222 -0.193
187 HH22 ARG 24 HH22 ARG 24 11.518 26.873 -1.353
188 H ARG 25 H ARG 25 5.771 33.119 -2.903
189 HA ARG 25 HA ARG 25 5.013 35.333 -1.234
190 HB2 ARG 25 HB2 ARG 25 6.052 34.949 -3.905
191 HB3 ARG 25 HB3 ARG 25 4.714 36.090 -3.916
192 HG2 ARG 25 HG2 ARG 25 6.895 36.394 -1.904
193 HG3 ARG 25 HG3 ARG 25 7.146 36.931 -3.567
194 HD2 ARG 25 HD2 ARG 25 4.925 37.812 -1.725
195 HD3 ARG 25 HD3 ARG 25 6.347 38.758 -2.162
196 HE ARG 25 HE ARG 25 5.079 38.053 -4.528
197 HH11 ARG 25 HH11 ARG 25 4.394 39.936 -1.680
198 HH12 ARG 25 HH12 ARG 25 3.337 41.035 -2.502
199 HH21 ARG 25 HH21 ARG 25 3.689 39.493 -5.621
200 HH22 ARG 25 HH22 ARG 25 2.936 40.782 -4.744