Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14896 | 1x5v RC | 6636 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 1.620 3.682 -12.354
2 2H ALA 1 HT2 ALA 1 -0.061 3.864 -12.153
3 3H ALA 1 HT3 ALA 1 0.545 3.020 -13.481
4 HA ALA 1 HA ALA 1 -0.325 1.479 -11.887
5 1HB ALA 1 HB1 ALA 1 2.701 1.391 -12.052
6 2HB ALA 1 HB2 ALA 1 1.568 0.822 -13.273
7 3HB ALA 1 HB3 ALA 1 1.631 0.018 -11.708
8 H CYS 2 HN CYS 2 -1.067 2.925 -10.242
9 HA CYS 2 HA CYS 2 0.617 3.338 -7.921
10 1HB CYS 2 HB2 CYS 2 -1.415 4.242 -6.895
11 2HB CYS 2 HB1 CYS 2 -1.093 4.961 -8.422
12 H GLY 3 HN GLY 3 0.798 2.091 -6.236
13 1HA GLY 3 HA2 GLY 3 0.290 -0.540 -6.129
14 2HA GLY 3 HA1 GLY 3 0.482 0.451 -4.708
15 H ILE 4 HN ILE 4 -1.381 -1.780 -5.814
16 HA ILE 4 HA ILE 4 -3.971 -0.633 -5.051
17 HB ILE 4 HB ILE 4 -4.998 -2.496 -6.318
18 1HG1 ILE 4 HG12 ILE 4 -2.178 -3.017 -7.267
19 2HG1 ILE 4 HG11 ILE 4 -3.040 -4.093 -6.160
20 1HG2 ILE 4 HG21 ILE 4 -3.127 -0.869 -8.023
21 2HG2 ILE 4 HG22 ILE 4 -4.611 -0.251 -7.291
22 3HG2 ILE 4 HG23 ILE 4 -4.692 -1.562 -8.455
23 1HD1 ILE 4 HD11 ILE 4 -3.693 -3.465 -9.026
24 2HD1 ILE 4 HD12 ILE 4 -4.719 -4.433 -7.953
25 3HD1 ILE 4 HD13 ILE 4 -3.087 -4.969 -8.340
26 H LEU 5 HN LEU 5 -5.488 -2.332 -4.391
27 HA LEU 5 HA LEU 5 -5.046 -2.804 -1.763
28 1HB LEU 5 HB2 LEU 5 -7.125 -4.026 -1.720
29 2HB LEU 5 HB1 LEU 5 -7.235 -2.648 -2.800
30 HG LEU 5 HG LEU 5 -6.766 -5.448 -3.834
31 1HD1 LEU 5 HD11 LEU 5 -8.853 -5.421 -2.578
32 2HD1 LEU 5 HD12 LEU 5 -9.101 -5.581 -4.312
33 3HD1 LEU 5 HD13 LEU 5 -9.397 -4.028 -3.532
34 1HD2 LEU 5 HD21 LEU 5 -7.838 -4.359 -5.872
35 2HD2 LEU 5 HD22 LEU 5 -6.186 -3.928 -5.506
36 3HD2 LEU 5 HD23 LEU 5 -7.496 -2.808 -5.104
37 H HIS 6 HN HIS 6 -3.977 -4.820 -4.313
38 HA HIS 6 HA HIS 6 -2.825 -6.647 -2.309
39 1HB HIS 6 HB2 HIS 6 -3.454 -8.615 -3.678
40 2HB HIS 6 HB1 HIS 6 -4.851 -7.763 -3.046
41 HD1 HIS 6 HD1 HIS 6 -2.959 -8.196 -6.313
42 HD2 HIS 6 HD2 HIS 6 -6.699 -7.086 -4.906
43 HE1 HIS 6 HE1 HIS 6 -4.398 -7.918 -8.346
44 HE2 HIS 6 HE2 HIS 6 -6.666 -7.282 -7.465
45 H ASP 7 HN ASP 7 -1.639 -4.535 -3.540
46 HA ASP 7 HA ASP 7 0.191 -5.901 -5.452
47 1HB ASP 7 HB2 ASP 7 -0.893 -3.743 -6.125
48 2HB ASP 7 HB1 ASP 7 0.055 -2.900 -4.938
49 H ASN 8 HN ASN 8 1.940 -6.581 -4.700
50 HA ASN 8 HA ASN 8 2.738 -6.503 -2.067
51 1HB ASN 8 HB2 ASN 8 4.867 -7.458 -2.777
52 2HB ASN 8 HB1 ASN 8 3.528 -8.159 -3.673
53 1HD2 ASN 8 HD21 ASN 8 3.278 -7.697 -5.888
54 2HD2 ASN 8 HD22 ASN 8 4.568 -6.988 -6.787
55 H CYS 9 HN CYS 9 3.832 -5.173 -0.826
56 HA CYS 9 HA CYS 9 5.477 -3.025 -1.782
57 1HB CYS 9 HB2 CYS 9 3.160 -2.184 -2.267
58 2HB CYS 9 HB1 CYS 9 2.777 -2.302 -0.556
59 H VAL 10 HN VAL 10 6.154 -1.617 -0.073
60 HA VAL 10 HA VAL 10 6.105 -2.889 2.621
61 HB VAL 10 HB VAL 10 8.340 -1.837 2.964
62 1HG1 VAL 10 HG11 VAL 10 8.170 -4.190 2.303
63 2HG1 VAL 10 HG12 VAL 10 9.609 -3.412 1.655
64 3HG1 VAL 10 HG13 VAL 10 8.233 -3.716 0.596
65 1HG2 VAL 10 HG21 VAL 10 9.592 -1.096 0.965
66 2HG2 VAL 10 HG22 VAL 10 8.277 -0.017 1.358
67 3HG2 VAL 10 HG23 VAL 10 8.121 -1.152 0.011
68 H TYR 11 HN TYR 11 6.279 -1.524 4.374
69 HA TYR 11 HA TYR 11 4.343 0.617 4.152
70 1HB TYR 11 HB2 TYR 11 4.334 -0.912 6.043
71 2HB TYR 11 HB1 TYR 11 5.935 -0.389 6.519
72 HD1 TYR 11 HD1 TYR 11 6.163 1.379 8.073
73 HD2 TYR 11 HD2 TYR 11 2.475 0.930 5.971
74 HE1 TYR 11 HE1 TYR 11 5.149 3.134 9.445
75 HE2 TYR 11 HE2 TYR 11 1.463 2.655 7.351
76 HH TYR 11 HH TYR 11 2.048 3.605 9.876
77 H VAL 12 HN VAL 12 5.593 1.848 2.655
78 HA VAL 12 HA VAL 12 7.257 3.839 4.117
79 HB VAL 12 HB VAL 12 8.440 4.306 1.957
80 1HG1 VAL 12 HG11 VAL 12 9.510 3.048 3.768
81 2HG1 VAL 12 HG12 VAL 12 10.024 2.504 2.175
82 3HG1 VAL 12 HG13 VAL 12 8.872 1.537 3.095
83 1HG2 VAL 12 HG21 VAL 12 7.012 3.293 0.307
84 2HG2 VAL 12 HG22 VAL 12 7.104 1.728 1.099
85 3HG2 VAL 12 HG23 VAL 12 8.520 2.405 0.327
86 HA PRO 13 HA PRO 13 3.318 5.649 2.589
87 1HB PRO 13 HB2 PRO 13 3.653 7.297 5.032
88 2HB PRO 13 HB1 PRO 13 2.304 6.289 4.499
89 1HG PRO 13 HG2 PRO 13 3.893 5.599 6.544
90 2HG PRO 13 HG1 PRO 13 3.163 4.388 5.472
91 1HD PRO 13 HD2 PRO 13 5.966 5.476 5.501
92 2HD PRO 13 HD1 PRO 13 5.356 3.833 5.301
93 H ALA 14 HN ALA 14 6.265 7.048 3.820
94 HA ALA 14 HA ALA 14 5.992 9.713 3.242
95 1HB ALA 14 HB1 ALA 14 8.434 9.800 3.198
96 2HB ALA 14 HB2 ALA 14 8.507 8.038 2.999
97 3HB ALA 14 HB3 ALA 14 7.848 8.737 4.473
98 H GLN 15 HN GLN 15 6.813 7.048 1.149
99 HA GLN 15 HA GLN 15 6.300 8.791 -1.187
100 1HB GLN 15 HB2 GLN 15 8.769 8.307 -0.834
101 2HB GLN 15 HB1 GLN 15 8.425 6.596 -1.014
102 1HG GLN 15 HG2 GLN 15 9.292 7.570 -3.056
103 2HG GLN 15 HG1 GLN 15 7.674 6.946 -3.317
104 1HE2 GLN 15 HE21 GLN 15 7.321 8.263 -5.118
105 2HE2 GLN 15 HE22 GLN 15 7.111 9.970 -4.960
106 H ASN 16 HN ASN 16 4.311 7.723 -0.183
107 HA ASN 16 HA ASN 16 3.650 5.064 -0.615
108 1HB ASN 16 HB2 ASN 16 2.256 6.652 0.629
109 2HB ASN 16 HB1 ASN 16 1.800 7.470 -0.859
110 1HD2 ASN 16 HD21 ASN 16 1.176 4.832 1.254
111 2HD2 ASN 16 HD22 ASN 16 -0.083 4.123 0.309
112 HA PRO 17 HA PRO 17 3.686 5.129 -5.135
113 1HB PRO 17 HB2 PRO 17 3.997 2.507 -5.456
114 2HB PRO 17 HB1 PRO 17 5.274 3.478 -4.715
115 1HG PRO 17 HG2 PRO 17 3.217 1.758 -3.346
116 2HG PRO 17 HG1 PRO 17 4.970 1.845 -3.089
117 1HD PRO 17 HD2 PRO 17 3.127 3.181 -1.566
118 2HD PRO 17 HD1 PRO 17 4.831 3.665 -1.761
119 H CYS 18 HN CYS 18 1.370 4.200 -2.971
120 HA CYS 18 HA CYS 18 -0.286 2.616 -4.679
121 1HB CYS 18 HB2 CYS 18 -0.614 3.509 -1.839
122 2HB CYS 18 HB1 CYS 18 -1.740 2.505 -2.711
123 H CYS 19 HN CYS 19 -2.517 2.980 -4.773
124 HA CYS 19 HA CYS 19 -3.159 5.616 -5.787
125 1HB CYS 19 HB2 CYS 19 -5.234 3.525 -5.109
126 2HB CYS 19 HB1 CYS 19 -5.178 4.682 -6.440
127 H ARG 20 HN ARG 20 -4.055 7.224 -4.749
128 HA ARG 20 HA ARG 20 -3.804 7.432 -1.999
129 1HB ARG 20 HB2 ARG 20 -3.830 9.384 -3.424
130 2HB ARG 20 HB1 ARG 20 -5.494 9.096 -3.903
131 1HG ARG 20 HG2 ARG 20 -5.091 10.914 -2.202
132 2HG ARG 20 HG1 ARG 20 -6.331 9.740 -1.786
133 1HD ARG 20 HD2 ARG 20 -4.893 10.338 0.082
134 2HD ARG 20 HD1 ARG 20 -4.788 8.620 -0.240
135 HE ARG 20 HE ARG 20 -2.704 10.038 -1.613
136 1HH1 ARG 20 HH11 ARG 20 -3.668 9.059 1.623
137 2HH1 ARG 20 HH12 ARG 20 -2.046 9.019 2.192
138 1HH2 ARG 20 HH21 ARG 20 -0.598 9.975 -0.839
139 2HH2 ARG 20 HH22 ARG 20 -0.293 9.537 0.809
140 H GLY 21 HN GLY 21 -4.782 6.434 -0.523
141 1HA GLY 21 HA2 GLY 21 -7.011 6.193 0.592
142 2HA GLY 21 HA1 GLY 21 -7.590 5.477 -0.908
143 H LEU 22 HN LEU 22 -4.711 4.394 -1.134
144 HA LEU 22 HA LEU 22 -5.121 1.986 0.571
145 1HB LEU 22 HB2 LEU 22 -3.401 2.165 -1.895
146 2HB LEU 22 HB1 LEU 22 -4.033 0.736 -1.098
147 HG LEU 22 HG LEU 22 -5.654 2.750 -2.676
148 1HD1 LEU 22 HD11 LEU 22 -4.228 1.403 -4.105
149 2HD1 LEU 22 HD12 LEU 22 -5.912 0.957 -4.283
150 3HD1 LEU 22 HD13 LEU 22 -4.842 -0.057 -3.330
151 1HD2 LEU 22 HD21 LEU 22 -6.873 1.579 -0.741
152 2HD2 LEU 22 HD22 LEU 22 -6.568 0.089 -1.638
153 3HD2 LEU 22 HD23 LEU 22 -7.507 1.372 -2.360
154 H GLN 23 HN GLN 23 -3.403 1.135 1.643
155 HA GLN 23 HA GLN 23 -0.989 2.845 1.886
156 1HB GLN 23 HB2 GLN 23 -2.461 3.564 3.630
157 2HB GLN 23 HB1 GLN 23 -2.784 1.908 4.148
158 1HG GLN 23 HG2 GLN 23 -0.550 1.650 4.993
159 2HG GLN 23 HG1 GLN 23 -0.022 3.165 4.243
160 1HE2 GLN 23 HE21 GLN 23 -1.884 1.710 6.836
161 2HE2 GLN 23 HE22 GLN 23 -1.968 3.151 7.785
162 H CYS 24 HN CYS 24 0.771 1.847 1.911
163 HA CYS 24 HA CYS 24 0.933 -0.939 1.439
164 1HB CYS 24 HB2 CYS 24 3.055 1.115 1.969
165 2HB CYS 24 HB1 CYS 24 3.371 -0.582 1.608
166 H ARG 25 HN ARG 25 0.837 -2.486 2.738
167 HA ARG 25 HA ARG 25 2.036 -2.267 5.444
168 1HB ARG 25 HB2 ARG 25 -0.193 -3.123 5.582
169 2HB ARG 25 HB1 ARG 25 0.042 -4.150 4.186
170 1HG ARG 25 HG2 ARG 25 -0.016 -5.457 6.185
171 2HG ARG 25 HG1 ARG 25 1.563 -5.613 5.444
172 1HD ARG 25 HD2 ARG 25 2.125 -3.594 7.142
173 2HD ARG 25 HD1 ARG 25 0.701 -4.254 7.942
174 HE ARG 25 HE ARG 25 2.413 -6.392 7.349
175 1HH1 ARG 25 HH11 ARG 25 2.255 -3.593 9.481
176 2HH1 ARG 25 HH12 ARG 25 3.376 -4.267 10.598
177 1HH2 ARG 25 HH21 ARG 25 3.879 -7.237 8.832
178 2HH2 ARG 25 HH22 ARG 25 4.301 -6.331 10.246
179 H TYR 26 HN TYR 26 3.650 -3.632 6.007
180 HA TYR 26 HA TYR 26 5.556 -4.344 4.173
181 1HB TYR 26 HB2 TYR 26 5.025 -5.312 6.970
182 2HB TYR 26 HB1 TYR 26 6.379 -5.960 6.055
183 HD1 TYR 26 HD1 TYR 26 7.854 -4.034 4.833
184 HD2 TYR 26 HD2 TYR 26 5.505 -3.534 8.377
185 HE1 TYR 26 HE1 TYR 26 9.233 -2.126 5.483
186 HE2 TYR 26 HE2 TYR 26 6.883 -1.606 9.007
187 HH TYR 26 HH TYR 26 9.512 -0.953 8.368
188 H GLY 27 HN GLY 27 4.810 -5.320 2.465
189 1HA GLY 27 HA2 GLY 27 4.982 -7.757 1.739
190 2HA GLY 27 HA1 GLY 27 3.533 -7.997 2.709
191 H LYS 28 HN LYS 28 2.076 -5.778 2.205
192 HA LYS 28 HA LYS 28 1.730 -5.457 -0.671
193 1HB LYS 28 HB2 LYS 28 -0.487 -6.420 -0.775
194 2HB LYS 28 HB1 LYS 28 0.668 -7.634 -0.220
195 1HG LYS 28 HG2 LYS 28 -0.040 -7.374 2.075
196 2HG LYS 28 HG1 LYS 28 -1.146 -6.054 1.637
197 1HD LYS 28 HD2 LYS 28 -2.420 -7.618 0.206
198 2HD LYS 28 HD1 LYS 28 -1.349 -8.934 0.723
199 1HE LYS 28 HE2 LYS 28 -2.063 -8.598 3.045
200 2HE LYS 28 HE1 LYS 28 -3.105 -7.287 2.521
201 1HZ LYS 28 HZ1 LYS 28 -4.325 -9.293 2.814
202 2HZ LYS 28 HZ2 LYS 28 -3.379 -10.104 1.677
203 3HZ LYS 28 HZ3 LYS 28 -4.385 -8.817 1.194
204 H CYS 29 HN CYS 29 0.249 -3.975 -1.256
205 HA CYS 29 HA CYS 29 -0.134 -1.840 0.636
206 1HB CYS 29 HB2 CYS 29 0.525 -1.441 -1.702
207 2HB CYS 29 HB1 CYS 29 -1.028 -2.023 -2.233
208 H LEU 30 HN LEU 30 -1.673 -1.863 2.001
209 HA LEU 30 HA LEU 30 -4.019 -3.533 1.605
210 1HB LEU 30 HB2 LEU 30 -3.145 -1.728 3.881
211 2HB LEU 30 HB1 LEU 30 -4.633 -2.678 3.902
212 HG LEU 30 HG LEU 30 -1.838 -3.778 3.781
213 1HD1 LEU 30 HD11 LEU 30 -2.428 -2.816 5.973
214 2HD1 LEU 30 HD12 LEU 30 -2.293 -4.569 6.031
215 3HD1 LEU 30 HD13 LEU 30 -3.889 -3.822 6.004
216 1HD2 LEU 30 HD21 LEU 30 -4.516 -5.163 3.801
217 2HD2 LEU 30 HD22 LEU 30 -2.989 -5.949 4.195
218 3HD2 LEU 30 HD23 LEU 30 -3.231 -5.289 2.587
219 H VAL 31 HN VAL 31 -5.898 -2.975 1.085
220 HA VAL 31 HA VAL 31 -6.582 -0.289 0.337
221 HB VAL 31 HB VAL 31 -7.565 -2.110 -0.865
222 1HG1 VAL 31 HG11 VAL 31 -9.108 -2.935 1.578
223 2HG1 VAL 31 HG12 VAL 31 -7.643 -3.757 1.046
224 3HG1 VAL 31 HG13 VAL 31 -9.054 -3.712 0.012
225 1HG2 VAL 31 HG21 VAL 31 -9.783 -0.802 0.646
226 2HG2 VAL 31 HG22 VAL 31 -9.797 -1.404 -0.992
227 3HG2 VAL 31 HG23 VAL 31 -8.846 0.015 -0.599
228 H GLN 32 HN GLN 32 -6.756 1.174 1.782
229 HA GLN 32 HA GLN 32 -7.275 0.518 4.551
230 1HB GLN 32 HB2 GLN 32 -5.675 2.278 3.751
231 2HB GLN 32 HB1 GLN 32 -7.051 3.272 3.279
232 1HG GLN 32 HG2 GLN 32 -7.829 3.309 5.629
233 2HG GLN 32 HG1 GLN 32 -6.443 2.309 6.087
234 1HE2 GLN 32 HE21 GLN 32 -5.620 3.840 7.505
235 2HE2 GLN 32 HE22 GLN 32 -4.933 5.318 6.933
236 H VAL 33 HN VAL 33 -9.314 -0.473 3.808
237 HA VAL 33 HA VAL 33 -11.510 1.462 4.266
238 HB VAL 33 HB VAL 33 -13.038 -0.012 3.019
239 1HG1 VAL 33 HG11 VAL 33 -12.271 0.509 0.754
240 2HG1 VAL 33 HG12 VAL 33 -10.690 0.966 1.385
241 3HG1 VAL 33 HG13 VAL 33 -12.132 1.883 1.845
242 1HG2 VAL 33 HG21 VAL 33 -11.942 -1.693 1.438
243 2HG2 VAL 33 HG22 VAL 33 -12.092 -2.165 3.117
244 3HG2 VAL 33 HG23 VAL 33 -10.536 -1.625 2.489
245 1HG HSL 34 HG1 HSL 34 -13.593 0.801 9.890
246 2HG HSL 34 HG2 HSL 34 -13.193 -0.906 10.172
247 H HSL 34 HN HSL 34 -13.075 0.828 5.562
248 HA HSL 34 HA HSL 34 -12.812 -1.860 7.073
249 1HB HSL 34 HB1 HSL 34 -11.634 -0.646 8.582
250 2HB HSL 34 HB2 HSL 34 -12.329 0.887 8.045
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -0.258 5.413 -13.198
2 2H ALA 1 HT2 ALA 1 0.659 5.992 -11.902
3 3H ALA 1 HT3 ALA 1 -0.901 5.368 -11.640
4 HA ALA 1 HA ALA 1 -0.192 3.175 -12.357
5 1HB ALA 1 HB1 ALA 1 2.557 4.434 -12.608
6 2HB ALA 1 HB2 ALA 1 1.511 3.930 -13.931
7 3HB ALA 1 HB3 ALA 1 2.168 2.718 -12.837
8 H CYS 2 HN CYS 2 -1.073 3.833 -10.190
9 HA CYS 2 HA CYS 2 0.902 3.735 -7.987
10 1HB CYS 2 HB2 CYS 2 -1.134 4.020 -6.588
11 2HB CYS 2 HB1 CYS 2 -0.817 5.336 -7.656
12 H GLY 3 HN GLY 3 0.836 2.179 -6.413
13 1HA GLY 3 HA2 GLY 3 0.358 -0.491 -7.176
14 2HA GLY 3 HA1 GLY 3 0.688 0.090 -5.549
15 H ILE 4 HN ILE 4 -1.152 -1.980 -6.326
16 HA ILE 4 HA ILE 4 -3.790 -0.726 -5.708
17 HB ILE 4 HB ILE 4 -4.832 -2.767 -6.675
18 1HG1 ILE 4 HG12 ILE 4 -2.019 -3.414 -7.607
19 2HG1 ILE 4 HG11 ILE 4 -2.898 -4.322 -6.365
20 1HG2 ILE 4 HG21 ILE 4 -3.009 -1.316 -8.613
21 2HG2 ILE 4 HG22 ILE 4 -4.544 -0.704 -7.979
22 3HG2 ILE 4 HG23 ILE 4 -4.529 -2.149 -8.972
23 1HD1 ILE 4 HD11 ILE 4 -4.597 -4.882 -8.074
24 2HD1 ILE 4 HD12 ILE 4 -2.979 -5.497 -8.394
25 3HD1 ILE 4 HD13 ILE 4 -3.567 -4.098 -9.283
26 H LEU 5 HN LEU 5 -5.264 -2.192 -4.724
27 HA LEU 5 HA LEU 5 -4.459 -2.419 -2.030
28 1HB LEU 5 HB2 LEU 5 -6.788 -3.107 -1.630
29 2HB LEU 5 HB1 LEU 5 -6.627 -1.634 -2.551
30 HG LEU 5 HG LEU 5 -6.898 -4.060 -4.237
31 1HD1 LEU 5 HD11 LEU 5 -8.386 -4.661 -2.371
32 2HD1 LEU 5 HD12 LEU 5 -9.231 -4.336 -3.879
33 3HD1 LEU 5 HD13 LEU 5 -9.245 -3.127 -2.598
34 1HD2 LEU 5 HD21 LEU 5 -8.323 -1.406 -4.212
35 2HD2 LEU 5 HD22 LEU 5 -8.377 -2.639 -5.467
36 3HD2 LEU 5 HD23 LEU 5 -6.883 -1.781 -5.162
37 H HIS 6 HN HIS 6 -3.732 -4.574 -4.299
38 HA HIS 6 HA HIS 6 -3.175 -6.534 -2.258
39 1HB HIS 6 HB2 HIS 6 -4.165 -8.423 -3.586
40 2HB HIS 6 HB1 HIS 6 -5.343 -7.334 -2.882
41 HD1 HIS 6 HD1 HIS 6 -4.042 -8.525 -6.169
42 HD2 HIS 6 HD2 HIS 6 -6.928 -5.947 -4.691
43 HE1 HIS 6 HE1 HIS 6 -5.519 -7.973 -8.116
44 HE2 HIS 6 HE2 HIS 6 -7.153 -6.269 -7.244
45 H ASP 7 HN ASP 7 -1.651 -4.750 -3.602
46 HA ASP 7 HA ASP 7 0.050 -6.602 -5.214
47 1HB ASP 7 HB2 ASP 7 -0.860 -4.734 -6.524
48 2HB ASP 7 HB1 ASP 7 -0.098 -3.555 -5.478
49 H ASN 8 HN ASN 8 2.063 -6.798 -4.676
50 HA ASN 8 HA ASN 8 2.847 -6.436 -2.043
51 1HB ASN 8 HB2 ASN 8 5.039 -7.183 -2.652
52 2HB ASN 8 HB1 ASN 8 3.837 -8.081 -3.567
53 1HD2 ASN 8 HD21 ASN 8 6.729 -7.429 -4.081
54 2HD2 ASN 8 HD22 ASN 8 6.708 -6.752 -5.670
55 H CYS 9 HN CYS 9 4.064 -5.005 -0.977
56 HA CYS 9 HA CYS 9 5.151 -2.657 -2.156
57 1HB CYS 9 HB2 CYS 9 2.650 -2.207 -2.236
58 2HB CYS 9 HB1 CYS 9 2.632 -2.238 -0.480
59 H VAL 10 HN VAL 10 6.413 -1.587 -0.835
60 HA VAL 10 HA VAL 10 7.110 -2.875 1.695
61 HB VAL 10 HB VAL 10 8.319 -0.410 0.374
62 1HG1 VAL 10 HG11 VAL 10 9.220 -2.155 2.687
63 2HG1 VAL 10 HG12 VAL 10 8.921 -0.409 2.688
64 3HG1 VAL 10 HG13 VAL 10 10.284 -1.065 1.805
65 1HG2 VAL 10 HG21 VAL 10 10.062 -1.884 -0.420
66 2HG2 VAL 10 HG22 VAL 10 8.507 -2.380 -1.079
67 3HG2 VAL 10 HG23 VAL 10 9.242 -3.292 0.252
68 H TYR 11 HN TYR 11 7.106 -1.896 3.644
69 HA TYR 11 HA TYR 11 4.813 -0.211 4.167
70 1HB TYR 11 HB2 TYR 11 5.588 -1.996 5.636
71 2HB TYR 11 HB1 TYR 11 7.003 -1.124 6.092
72 HD1 TYR 11 HD1 TYR 11 6.785 0.795 7.626
73 HD2 TYR 11 HD2 TYR 11 3.341 -1.400 6.405
74 HE1 TYR 11 HE1 TYR 11 5.478 1.840 9.404
75 HE2 TYR 11 HE2 TYR 11 2.036 -0.363 8.185
76 HH TYR 11 HH TYR 11 2.795 0.737 10.618
77 H VAL 12 HN VAL 12 5.633 1.421 2.692
78 HA VAL 12 HA VAL 12 7.174 3.457 4.187
79 HB VAL 12 HB VAL 12 8.703 2.609 2.541
80 1HG1 VAL 12 HG11 VAL 12 6.979 1.692 0.953
81 2HG1 VAL 12 HG12 VAL 12 8.311 2.552 0.220
82 3HG1 VAL 12 HG13 VAL 12 6.750 3.332 0.347
83 1HG2 VAL 12 HG21 VAL 12 8.497 5.111 3.025
84 2HG2 VAL 12 HG22 VAL 12 7.690 5.232 1.452
85 3HG2 VAL 12 HG23 VAL 12 9.332 4.625 1.557
86 HA PRO 13 HA PRO 13 2.947 4.890 3.078
87 1HB PRO 13 HB2 PRO 13 2.566 6.233 5.429
88 2HB PRO 13 HB1 PRO 13 2.272 4.507 5.218
89 1HG PRO 13 HG2 PRO 13 4.663 5.864 6.406
90 2HG PRO 13 HG1 PRO 13 3.756 4.453 6.983
91 1HD PRO 13 HD2 PRO 13 6.078 4.237 5.679
92 2HD PRO 13 HD1 PRO 13 4.794 3.012 5.534
93 H ALA 14 HN ALA 14 5.763 6.505 4.413
94 HA ALA 14 HA ALA 14 5.055 9.164 4.169
95 1HB ALA 14 HB1 ALA 14 7.082 8.382 5.261
96 2HB ALA 14 HB2 ALA 14 7.445 9.655 4.102
97 3HB ALA 14 HB3 ALA 14 7.798 7.959 3.710
98 H GLN 15 HN GLN 15 6.544 7.010 1.828
99 HA GLN 15 HA GLN 15 5.656 8.862 -0.343
100 1HB GLN 15 HB2 GLN 15 8.144 8.667 -0.064
101 2HB GLN 15 HB1 GLN 15 8.024 6.942 -0.421
102 1HG GLN 15 HG2 GLN 15 6.865 7.726 -2.643
103 2HG GLN 15 HG1 GLN 15 7.478 9.314 -2.203
104 1HE2 GLN 15 HE21 GLN 15 8.064 7.559 -4.484
105 2HE2 GLN 15 HE22 GLN 15 9.778 7.351 -4.431
106 H ASN 16 HN ASN 16 3.861 7.324 0.637
107 HA ASN 16 HA ASN 16 3.579 4.679 -0.089
108 1HB ASN 16 HB2 ASN 16 2.031 5.913 1.342
109 2HB ASN 16 HB1 ASN 16 1.418 6.821 -0.028
110 1HD2 ASN 16 HD21 ASN 16 -0.073 5.162 1.804
111 2HD2 ASN 16 HD22 ASN 16 -0.759 3.901 0.845
112 HA PRO 17 HA PRO 17 3.539 5.336 -4.562
113 1HB PRO 17 HB2 PRO 17 4.483 2.909 -5.203
114 2HB PRO 17 HB1 PRO 17 5.495 4.132 -4.435
115 1HG PRO 17 HG2 PRO 17 4.251 1.721 -3.249
116 2HG PRO 17 HG1 PRO 17 5.811 2.471 -2.893
117 1HD PRO 17 HD2 PRO 17 3.436 2.792 -1.420
118 2HD PRO 17 HD1 PRO 17 4.939 3.710 -1.265
119 H CYS 18 HN CYS 18 1.520 3.716 -2.584
120 HA CYS 18 HA CYS 18 0.061 2.211 -4.583
121 1HB CYS 18 HB2 CYS 18 0.441 1.404 -2.281
122 2HB CYS 18 HB1 CYS 18 -0.605 2.650 -1.656
123 H CYS 19 HN CYS 19 -2.188 2.556 -4.833
124 HA CYS 19 HA CYS 19 -2.833 5.188 -5.574
125 1HB CYS 19 HB2 CYS 19 -4.770 2.924 -5.008
126 2HB CYS 19 HB1 CYS 19 -5.081 4.360 -5.986
127 H ARG 20 HN ARG 20 -3.575 6.825 -4.620
128 HA ARG 20 HA ARG 20 -3.400 7.063 -1.865
129 1HB ARG 20 HB2 ARG 20 -3.246 8.940 -3.526
130 2HB ARG 20 HB1 ARG 20 -4.987 8.883 -3.734
131 1HG ARG 20 HG2 ARG 20 -4.392 10.656 -2.236
132 2HG ARG 20 HG1 ARG 20 -5.297 9.452 -1.331
133 1HD ARG 20 HD2 ARG 20 -3.015 8.517 -0.594
134 2HD ARG 20 HD1 ARG 20 -2.320 9.971 -1.337
135 HE ARG 20 HE ARG 20 -4.326 10.797 0.429
136 1HH1 ARG 20 HH11 ARG 20 -1.177 9.211 0.572
137 2HH1 ARG 20 HH12 ARG 20 -0.894 9.720 2.191
138 1HH2 ARG 20 HH21 ARG 20 -3.896 11.446 2.553
139 2HH2 ARG 20 HH22 ARG 20 -2.414 10.980 3.318
140 H GLY 21 HN GLY 21 -4.592 6.435 -0.326
141 1HA GLY 21 HA2 GLY 21 -6.822 6.388 0.686
142 2HA GLY 21 HA1 GLY 21 -7.466 5.755 -0.823
143 H LEU 22 HN LEU 22 -4.778 4.278 -1.011
144 HA LEU 22 HA LEU 22 -5.482 1.998 0.757
145 1HB LEU 22 HB2 LEU 22 -3.733 2.018 -1.688
146 2HB LEU 22 HB1 LEU 22 -4.367 0.610 -0.828
147 HG LEU 22 HG LEU 22 -5.978 2.583 -2.455
148 1HD1 LEU 22 HD11 LEU 22 -5.072 -0.219 -3.051
149 2HD1 LEU 22 HD12 LEU 22 -4.617 1.239 -3.902
150 3HD1 LEU 22 HD13 LEU 22 -6.276 0.662 -3.971
151 1HD2 LEU 22 HD21 LEU 22 -7.324 1.668 -0.632
152 2HD2 LEU 22 HD22 LEU 22 -6.775 0.036 -1.044
153 3HD2 LEU 22 HD23 LEU 22 -7.783 0.937 -2.164
154 H GLN 23 HN GLN 23 -3.883 0.980 1.866
155 HA GLN 23 HA GLN 23 -1.552 2.702 2.443
156 1HB GLN 23 HB2 GLN 23 -3.283 2.723 4.207
157 2HB GLN 23 HB1 GLN 23 -3.147 0.990 4.393
158 1HG GLN 23 HG2 GLN 23 -1.966 2.098 6.142
159 2HG GLN 23 HG1 GLN 23 -0.785 1.288 5.132
160 1HE2 GLN 23 HE21 GLN 23 -0.549 3.583 6.999
161 2HE2 GLN 23 HE22 GLN 23 0.126 4.853 6.042
162 H CYS 24 HN CYS 24 0.290 1.900 2.137
163 HA CYS 24 HA CYS 24 0.646 -0.849 1.367
164 1HB CYS 24 HB2 CYS 24 2.433 1.519 1.572
165 2HB CYS 24 HB1 CYS 24 3.129 -0.086 1.381
166 H ARG 25 HN ARG 25 0.388 -2.272 2.839
167 HA ARG 25 HA ARG 25 1.698 -2.059 5.447
168 1HB ARG 25 HB2 ARG 25 -0.395 -3.168 5.435
169 2HB ARG 25 HB1 ARG 25 0.055 -4.209 4.087
170 1HG ARG 25 HG2 ARG 25 1.798 -5.269 5.600
171 2HG ARG 25 HG1 ARG 25 1.142 -4.284 6.915
172 1HD ARG 25 HD2 ARG 25 -0.507 -6.213 5.270
173 2HD ARG 25 HD1 ARG 25 0.409 -6.647 6.714
174 HE ARG 25 HE ARG 25 -1.487 -4.421 6.996
175 1HH1 ARG 25 HH11 ARG 25 -0.898 -7.868 7.405
176 2HH1 ARG 25 HH12 ARG 25 -2.137 -8.031 8.578
177 1HH2 ARG 25 HH21 ARG 25 -3.106 -4.680 8.546
178 2HH2 ARG 25 HH22 ARG 25 -3.405 -6.242 9.232
179 H TYR 26 HN TYR 26 3.351 -3.330 6.104
180 HA TYR 26 HA TYR 26 5.504 -3.732 4.359
181 1HB TYR 26 HB2 TYR 26 5.691 -3.507 6.826
182 2HB TYR 26 HB1 TYR 26 4.969 -5.072 7.034
183 HD1 TYR 26 HD1 TYR 26 7.800 -3.540 5.072
184 HD2 TYR 26 HD2 TYR 26 6.451 -6.802 7.495
185 HE1 TYR 26 HE1 TYR 26 10.021 -4.559 4.952
186 HE2 TYR 26 HE2 TYR 26 8.676 -7.806 7.366
187 HH TYR 26 HH TYR 26 11.347 -6.316 6.640
188 H GLY 27 HN GLY 27 4.866 -4.783 2.606
189 1HA GLY 27 HA2 GLY 27 5.357 -7.217 1.952
190 2HA GLY 27 HA1 GLY 27 3.876 -7.579 2.834
191 H LYS 28 HN LYS 28 2.243 -5.538 2.196
192 HA LYS 28 HA LYS 28 2.132 -5.026 -0.632
193 1HB LYS 28 HB2 LYS 28 0.137 -6.278 -1.151
194 2HB LYS 28 HB1 LYS 28 1.406 -7.374 -0.618
195 1HG LYS 28 HG2 LYS 28 0.405 -7.640 1.533
196 2HG LYS 28 HG1 LYS 28 -0.803 -6.377 1.215
197 1HD LYS 28 HD2 LYS 28 -1.792 -7.716 -0.564
198 2HD LYS 28 HD1 LYS 28 -0.566 -8.976 -0.334
199 1HE LYS 28 HE2 LYS 28 -2.564 -8.112 1.755
200 2HE LYS 28 HE1 LYS 28 -2.719 -9.504 0.706
201 1HZ LYS 28 HZ1 LYS 28 -0.720 -9.063 2.848
202 2HZ LYS 28 HZ2 LYS 28 -0.534 -10.279 1.673
203 3HZ LYS 28 HZ3 LYS 28 -1.870 -10.286 2.701
204 H CYS 29 HN CYS 29 0.324 -3.865 -1.299
205 HA CYS 29 HA CYS 29 -0.495 -1.985 0.754
206 1HB CYS 29 HB2 CYS 29 0.157 -1.196 -1.475
207 2HB CYS 29 HB1 CYS 29 -1.171 -2.061 -2.183
208 H LEU 30 HN LEU 30 -2.395 -1.705 1.580
209 HA LEU 30 HA LEU 30 -4.598 -3.554 0.823
210 1HB LEU 30 HB2 LEU 30 -3.659 -2.781 3.613
211 2HB LEU 30 HB1 LEU 30 -5.140 -3.677 3.263
212 HG LEU 30 HG LEU 30 -2.317 -4.644 2.714
213 1HD1 LEU 30 HD11 LEU 30 -2.876 -4.574 5.105
214 2HD1 LEU 30 HD12 LEU 30 -2.745 -6.217 4.491
215 3HD1 LEU 30 HD13 LEU 30 -4.339 -5.524 4.787
216 1HD2 LEU 30 HD21 LEU 30 -3.725 -6.831 2.462
217 2HD2 LEU 30 HD22 LEU 30 -3.546 -5.740 1.104
218 3HD2 LEU 30 HD23 LEU 30 -5.038 -5.746 2.045
219 H VAL 31 HN VAL 31 -6.620 -2.891 1.687
220 HA VAL 31 HA VAL 31 -7.119 -0.114 1.003
221 HB VAL 31 HB VAL 31 -9.516 -0.668 1.381
222 1HG1 VAL 31 HG11 VAL 31 -8.185 -2.725 -0.343
223 2HG1 VAL 31 HG12 VAL 31 -8.404 -1.044 -0.822
224 3HG1 VAL 31 HG13 VAL 31 -9.790 -2.051 -0.499
225 1HG2 VAL 31 HG21 VAL 31 -8.448 -3.420 2.097
226 2HG2 VAL 31 HG22 VAL 31 -10.118 -3.038 1.729
227 3HG2 VAL 31 HG23 VAL 31 -9.371 -2.335 3.144
228 H GLN 32 HN GLN 32 -7.422 1.507 2.255
229 HA GLN 32 HA GLN 32 -7.310 1.248 5.152
230 1HB GLN 32 HB2 GLN 32 -7.838 3.574 3.302
231 2HB GLN 32 HB1 GLN 32 -7.850 3.733 5.063
232 1HG GLN 32 HG2 GLN 32 -5.504 2.968 5.138
233 2HG GLN 32 HG1 GLN 32 -5.486 2.880 3.369
234 1HE2 GLN 32 HE21 GLN 32 -7.128 5.303 2.996
235 2HE2 GLN 32 HE22 GLN 32 -6.089 6.586 3.437
236 H VAL 33 HN VAL 33 -8.889 0.514 6.219
237 HA VAL 33 HA VAL 33 -11.572 0.379 5.080
238 HB VAL 33 HB VAL 33 -10.654 -0.540 7.832
239 1HG1 VAL 33 HG11 VAL 33 -13.050 -0.419 7.715
240 2HG1 VAL 33 HG12 VAL 33 -12.585 -2.099 7.534
241 3HG1 VAL 33 HG13 VAL 33 -13.072 -1.178 6.115
242 1HG2 VAL 33 HG21 VAL 33 -10.387 -2.744 6.861
243 2HG2 VAL 33 HG22 VAL 33 -9.269 -1.611 6.114
244 3HG2 VAL 33 HG23 VAL 33 -10.729 -2.122 5.249
245 1HG HSL 34 HG1 HSL 34 -13.367 6.636 4.507
246 2HG HSL 34 HG2 HSL 34 -13.182 6.926 6.250
247 H HSL 34 HN HSL 34 -11.922 2.560 4.923
248 HA HSL 34 HA HSL 34 -12.424 3.892 7.191
249 1HB HSL 34 HB1 HSL 34 -11.833 5.007 4.521
250 2HB HSL 34 HB2 HSL 34 -11.380 5.598 6.124
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 3.152 1.913 -13.081
2 2H ALA 1 HT2 ALA 1 3.721 2.854 -11.797
3 3H ALA 1 HT3 ALA 1 2.082 2.925 -12.255
4 HA ALA 1 HA ALA 1 1.776 0.606 -11.646
5 1HB ALA 1 HB1 ALA 1 3.539 -0.620 -10.475
6 2HB ALA 1 HB2 ALA 1 4.641 0.757 -10.677
7 3HB ALA 1 HB3 ALA 1 4.051 -0.120 -12.083
8 H CYS 2 HN CYS 2 0.274 1.645 -10.493
9 HA CYS 2 HA CYS 2 1.008 2.953 -7.952
10 1HB CYS 2 HB2 CYS 2 -0.701 3.916 -9.493
11 2HB CYS 2 HB1 CYS 2 -1.753 2.548 -9.171
12 H GLY 3 HN GLY 3 0.617 2.133 -6.029
13 1HA GLY 3 HA2 GLY 3 0.494 -0.675 -5.702
14 2HA GLY 3 HA1 GLY 3 0.439 0.522 -4.446
15 H ILE 4 HN ILE 4 -1.222 -1.885 -5.769
16 HA ILE 4 HA ILE 4 -3.897 -0.802 -5.069
17 HB ILE 4 HB ILE 4 -4.813 -2.572 -6.606
18 1HG1 ILE 4 HG12 ILE 4 -1.918 -2.794 -7.508
19 2HG1 ILE 4 HG11 ILE 4 -2.806 -4.060 -6.656
20 1HG2 ILE 4 HG21 ILE 4 -3.024 -0.531 -7.946
21 2HG2 ILE 4 HG22 ILE 4 -4.614 -0.208 -7.239
22 3HG2 ILE 4 HG23 ILE 4 -4.476 -1.301 -8.603
23 1HD1 ILE 4 HD11 ILE 4 -4.387 -4.149 -8.566
24 2HD1 ILE 4 HD12 ILE 4 -2.723 -4.578 -8.945
25 3HD1 ILE 4 HD13 ILE 4 -3.341 -3.000 -9.416
26 H LEU 5 HN LEU 5 -5.450 -2.678 -4.680
27 HA LEU 5 HA LEU 5 -4.799 -3.236 -2.006
28 1HB LEU 5 HB2 LEU 5 -6.989 -4.142 -1.796
29 2HB LEU 5 HB1 LEU 5 -7.025 -2.754 -2.857
30 HG LEU 5 HG LEU 5 -6.837 -4.670 -4.754
31 1HD1 LEU 5 HD11 LEU 5 -6.813 -6.598 -3.358
32 2HD1 LEU 5 HD12 LEU 5 -8.414 -6.488 -4.045
33 3HD1 LEU 5 HD13 LEU 5 -8.152 -6.001 -2.374
34 1HD2 LEU 5 HD21 LEU 5 -9.410 -3.846 -3.391
35 2HD2 LEU 5 HD22 LEU 5 -9.218 -4.474 -5.027
36 3HD2 LEU 5 HD23 LEU 5 -8.540 -2.903 -4.616
37 H HIS 6 HN HIS 6 -4.339 -5.110 -4.858
38 HA HIS 6 HA HIS 6 -3.149 -7.215 -3.131
39 1HB HIS 6 HB2 HIS 6 -3.727 -8.866 -4.921
40 2HB HIS 6 HB1 HIS 6 -5.109 -8.188 -4.080
41 HD1 HIS 6 HD1 HIS 6 -3.298 -7.838 -7.406
42 HD2 HIS 6 HD2 HIS 6 -7.012 -7.124 -5.686
43 HE1 HIS 6 HE1 HIS 6 -4.806 -7.162 -9.295
44 HE2 HIS 6 HE2 HIS 6 -7.017 -6.633 -8.216
45 H ASP 7 HN ASP 7 -1.735 -5.146 -3.641
46 HA ASP 7 HA ASP 7 0.273 -6.286 -5.526
47 1HB ASP 7 HB2 ASP 7 -0.601 -4.264 -6.513
48 2HB ASP 7 HB1 ASP 7 -0.327 -3.342 -5.043
49 H ASN 8 HN ASN 8 2.177 -6.561 -4.797
50 HA ASN 8 HA ASN 8 2.630 -6.414 -1.958
51 1HB ASN 8 HB2 ASN 8 4.509 -7.168 -4.216
52 2HB ASN 8 HB1 ASN 8 4.861 -7.374 -2.492
53 1HD2 ASN 8 HD21 ASN 8 3.637 -8.910 -1.288
54 2HD2 ASN 8 HD22 ASN 8 2.857 -10.206 -2.123
55 H CYS 9 HN CYS 9 3.698 -4.975 -0.856
56 HA CYS 9 HA CYS 9 5.230 -2.861 -2.125
57 1HB CYS 9 HB2 CYS 9 2.858 -2.159 -2.299
58 2HB CYS 9 HB1 CYS 9 2.691 -2.242 -0.553
59 H VAL 10 HN VAL 10 6.703 -2.062 -0.920
60 HA VAL 10 HA VAL 10 7.002 -3.013 1.860
61 HB VAL 10 HB VAL 10 8.940 -3.197 0.360
62 1HG1 VAL 10 HG11 VAL 10 10.113 -1.326 -0.487
63 2HG1 VAL 10 HG12 VAL 10 9.061 -0.171 0.309
64 3HG1 VAL 10 HG13 VAL 10 8.455 -1.154 -1.031
65 1HG2 VAL 10 HG21 VAL 10 10.560 -2.379 1.862
66 2HG2 VAL 10 HG22 VAL 10 9.178 -2.839 2.846
67 3HG2 VAL 10 HG23 VAL 10 9.501 -1.131 2.499
68 H TYR 11 HN TYR 11 6.977 -1.749 3.569
69 HA TYR 11 HA TYR 11 5.157 0.447 3.427
70 1HB TYR 11 HB2 TYR 11 5.417 -1.208 5.308
71 2HB TYR 11 HB1 TYR 11 6.861 -0.345 5.800
72 HD1 TYR 11 HD1 TYR 11 6.675 2.026 6.648
73 HD2 TYR 11 HD2 TYR 11 3.242 -0.355 5.814
74 HE1 TYR 11 HE1 TYR 11 5.291 3.555 7.952
75 HE2 TYR 11 HE2 TYR 11 1.850 1.179 7.106
76 HH TYR 11 HH TYR 11 2.466 2.914 9.179
77 H VAL 12 HN VAL 12 6.158 1.841 2.028
78 HA VAL 12 HA VAL 12 7.971 3.714 3.448
79 HB VAL 12 HB VAL 12 8.781 4.500 1.224
80 1HG1 VAL 12 HG11 VAL 12 9.399 1.610 1.863
81 2HG1 VAL 12 HG12 VAL 12 10.138 3.027 2.631
82 3HG1 VAL 12 HG13 VAL 12 10.380 2.725 0.914
83 1HG2 VAL 12 HG21 VAL 12 7.169 3.746 -0.335
84 2HG2 VAL 12 HG22 VAL 12 7.246 2.088 0.236
85 3HG2 VAL 12 HG23 VAL 12 8.594 2.778 -0.635
86 HA PRO 13 HA PRO 13 4.063 5.858 3.017
87 1HB PRO 13 HB2 PRO 13 4.525 7.650 5.004
88 2HB PRO 13 HB1 PRO 13 4.072 5.970 5.284
89 1HG PRO 13 HG2 PRO 13 6.768 7.236 5.468
90 2HG PRO 13 HG1 PRO 13 6.014 6.013 6.502
91 1HD PRO 13 HD2 PRO 13 7.852 5.477 4.549
92 2HD PRO 13 HD1 PRO 13 6.671 4.300 5.185
93 H ALA 14 HN ALA 14 7.180 7.525 3.390
94 HA ALA 14 HA ALA 14 6.323 10.061 2.507
95 1HB ALA 14 HB1 ALA 14 8.697 10.585 2.317
96 2HB ALA 14 HB2 ALA 14 9.106 8.863 2.453
97 3HB ALA 14 HB3 ALA 14 8.349 9.704 3.801
98 H GLN 15 HN GLN 15 7.872 7.335 0.917
99 HA GLN 15 HA GLN 15 7.222 8.552 -1.733
100 1HB GLN 15 HB2 GLN 15 9.598 8.035 -1.300
101 2HB GLN 15 HB1 GLN 15 9.196 6.336 -1.038
102 1HG GLN 15 HG2 GLN 15 8.398 6.196 -3.400
103 2HG GLN 15 HG1 GLN 15 8.803 7.898 -3.618
104 1HE2 GLN 15 HE21 GLN 15 9.763 5.484 -5.002
105 2HE2 GLN 15 HE22 GLN 15 11.477 5.525 -4.793
106 H ASN 16 HN ASN 16 5.196 7.563 -0.254
107 HA ASN 16 HA ASN 16 4.542 4.863 -0.647
108 1HB ASN 16 HB2 ASN 16 3.327 6.010 0.977
109 2HB ASN 16 HB1 ASN 16 2.885 7.315 -0.111
110 1HD2 ASN 16 HD21 ASN 16 1.104 7.070 -1.433
111 2HD2 ASN 16 HD22 ASN 16 0.031 5.736 -1.260
112 HA PRO 17 HA PRO 17 3.715 5.301 -5.053
113 1HB PRO 17 HB2 PRO 17 4.394 2.784 -5.687
114 2HB PRO 17 HB1 PRO 17 5.600 3.979 -5.211
115 1HG PRO 17 HG2 PRO 17 4.519 1.698 -3.662
116 2HG PRO 17 HG1 PRO 17 6.128 2.434 -3.624
117 1HD PRO 17 HD2 PRO 17 3.961 2.901 -1.838
118 2HD PRO 17 HD1 PRO 17 5.549 3.690 -1.892
119 H CYS 18 HN CYS 18 2.007 4.162 -2.636
120 HA CYS 18 HA CYS 18 0.209 2.385 -4.017
121 1HB CYS 18 HB2 CYS 18 1.171 2.129 -1.641
122 2HB CYS 18 HB1 CYS 18 -0.050 3.280 -1.159
123 H CYS 19 HN CYS 19 -1.838 2.799 -4.445
124 HA CYS 19 HA CYS 19 -2.557 5.482 -5.075
125 1HB CYS 19 HB2 CYS 19 -4.442 3.121 -4.753
126 2HB CYS 19 HB1 CYS 19 -4.712 4.585 -5.703
127 H ARG 20 HN ARG 20 -3.330 7.004 -3.917
128 HA ARG 20 HA ARG 20 -3.468 6.893 -1.158
129 1HB ARG 20 HB2 ARG 20 -3.174 8.969 -2.486
130 2HB ARG 20 HB1 ARG 20 -4.854 8.897 -2.976
131 1HG ARG 20 HG2 ARG 20 -4.710 10.480 -1.251
132 2HG ARG 20 HG1 ARG 20 -5.509 9.099 -0.527
133 1HD ARG 20 HD2 ARG 20 -2.558 9.756 -0.288
134 2HD ARG 20 HD1 ARG 20 -3.776 10.163 0.902
135 HE ARG 20 HE ARG 20 -2.649 7.521 0.325
136 1HH1 ARG 20 HH11 ARG 20 -5.026 9.375 2.150
137 2HH1 ARG 20 HH12 ARG 20 -5.168 8.172 3.363
138 1HH2 ARG 20 HH21 ARG 20 -2.919 5.934 1.923
139 2HH2 ARG 20 HH22 ARG 20 -3.997 6.220 3.249
140 H GLY 21 HN GLY 21 -4.881 6.283 0.221
141 1HA GLY 21 HA2 GLY 21 -7.173 5.988 0.956
142 2HA GLY 21 HA1 GLY 21 -7.597 5.482 -0.676
143 H LEU 22 HN LEU 22 -5.241 3.993 -1.162
144 HA LEU 22 HA LEU 22 -5.536 1.702 0.670
145 1HB LEU 22 HB2 LEU 22 -4.138 1.892 -2.028
146 2HB LEU 22 HB1 LEU 22 -4.327 0.440 -1.044
147 HG LEU 22 HG LEU 22 -6.842 0.759 -1.328
148 1HD1 LEU 22 HD11 LEU 22 -7.365 1.955 -3.529
149 2HD1 LEU 22 HD12 LEU 22 -5.857 2.823 -3.277
150 3HD1 LEU 22 HD13 LEU 22 -7.152 2.924 -2.090
151 1HD2 LEU 22 HD21 LEU 22 -6.851 -0.383 -3.419
152 2HD2 LEU 22 HD22 LEU 22 -5.471 -0.942 -2.488
153 3HD2 LEU 22 HD23 LEU 22 -5.239 0.202 -3.816
154 H GLN 23 HN GLN 23 -4.020 1.176 1.993
155 HA GLN 23 HA GLN 23 -1.665 2.939 2.045
156 1HB GLN 23 HB2 GLN 23 -3.142 2.919 4.043
157 2HB GLN 23 HB1 GLN 23 -2.817 1.208 4.269
158 1HG GLN 23 HG2 GLN 23 -1.486 2.649 5.735
159 2HG GLN 23 HG1 GLN 23 -0.469 1.646 4.711
160 1HE2 GLN 23 HE21 GLN 23 1.330 2.993 4.767
161 2HE2 GLN 23 HE22 GLN 23 1.324 4.569 4.062
162 H CYS 24 HN CYS 24 0.220 2.271 1.738
163 HA CYS 24 HA CYS 24 0.792 -0.447 0.965
164 1HB CYS 24 HB2 CYS 24 1.944 1.291 -0.149
165 2HB CYS 24 HB1 CYS 24 2.508 2.018 1.330
166 H ARG 25 HN ARG 25 0.576 -1.836 2.502
167 HA ARG 25 HA ARG 25 1.841 -1.378 5.144
168 1HB ARG 25 HB2 ARG 25 -0.464 -2.090 5.154
169 2HB ARG 25 HB1 ARG 25 -0.101 -3.484 4.142
170 1HG ARG 25 HG2 ARG 25 1.275 -4.444 5.966
171 2HG ARG 25 HG1 ARG 25 0.925 -3.022 6.963
172 1HD ARG 25 HD2 ARG 25 -1.383 -3.583 7.068
173 2HD ARG 25 HD1 ARG 25 -1.187 -4.821 5.813
174 HE ARG 25 HE ARG 25 0.476 -5.425 8.026
175 1HH1 ARG 25 HH11 ARG 25 -2.925 -5.366 7.128
176 2HH1 ARG 25 HH12 ARG 25 -3.307 -6.720 8.118
177 1HH2 ARG 25 HH21 ARG 25 -0.065 -7.200 9.308
178 2HH2 ARG 25 HH22 ARG 25 -1.702 -7.765 9.359
179 H TYR 26 HN TYR 26 3.189 -2.908 6.023
180 HA TYR 26 HA TYR 26 5.354 -3.686 4.544
181 1HB TYR 26 HB2 TYR 26 4.248 -4.859 7.104
182 2HB TYR 26 HB1 TYR 26 5.799 -5.373 6.435
183 HD1 TYR 26 HD1 TYR 26 7.654 -3.663 6.169
184 HD2 TYR 26 HD2 TYR 26 4.062 -2.852 8.349
185 HE1 TYR 26 HE1 TYR 26 8.754 -1.798 7.298
186 HE2 TYR 26 HE2 TYR 26 5.187 -1.007 9.501
187 HH TYR 26 HH TYR 26 7.843 -0.473 10.023
188 H GLY 27 HN GLY 27 4.846 -4.589 2.639
189 1HA GLY 27 HA2 GLY 27 5.329 -6.812 1.755
190 2HA GLY 27 HA1 GLY 27 4.058 -7.475 2.763
191 H LYS 28 HN LYS 28 2.255 -5.184 2.243
192 HA LYS 28 HA LYS 28 1.655 -5.321 -0.575
193 1HB LYS 28 HB2 LYS 28 -0.504 -6.510 -0.287
194 2HB LYS 28 HB1 LYS 28 0.910 -7.511 0.036
195 1HG LYS 28 HG2 LYS 28 0.608 -7.223 2.454
196 2HG LYS 28 HG1 LYS 28 -0.824 -6.208 2.162
197 1HD LYS 28 HD2 LYS 28 -1.963 -8.081 1.080
198 2HD LYS 28 HD1 LYS 28 -0.533 -9.106 1.303
199 1HE LYS 28 HE2 LYS 28 -2.178 -7.875 3.528
200 2HE LYS 28 HE1 LYS 28 -2.264 -9.535 2.960
201 1HZ LYS 28 HZ1 LYS 28 -0.011 -8.228 4.368
202 2HZ LYS 28 HZ2 LYS 28 0.188 -9.695 3.532
203 3HZ LYS 28 HZ3 LYS 28 -0.903 -9.587 4.814
204 H CYS 29 HN CYS 29 0.087 -4.052 -1.262
205 HA CYS 29 HA CYS 29 -0.698 -1.857 0.460
206 1HB CYS 29 HB2 CYS 29 -0.914 -2.514 -2.423
207 2HB CYS 29 HB1 CYS 29 -2.091 -1.370 -1.793
208 H LEU 30 HN LEU 30 -2.466 -1.642 1.502
209 HA LEU 30 HA LEU 30 -4.766 -3.429 0.891
210 1HB LEU 30 HB2 LEU 30 -3.591 -2.742 3.606
211 2HB LEU 30 HB1 LEU 30 -5.139 -3.558 3.371
212 HG LEU 30 HG LEU 30 -2.437 -4.658 2.533
213 1HD1 LEU 30 HD11 LEU 30 -3.085 -4.457 5.054
214 2HD1 LEU 30 HD12 LEU 30 -2.436 -5.955 4.410
215 3HD1 LEU 30 HD13 LEU 30 -4.167 -5.798 4.687
216 1HD2 LEU 30 HD21 LEU 30 -3.749 -6.751 2.236
217 2HD2 LEU 30 HD22 LEU 30 -4.143 -5.520 1.058
218 3HD2 LEU 30 HD23 LEU 30 -5.235 -5.826 2.417
219 H VAL 31 HN VAL 31 -6.615 -2.594 0.873
220 HA VAL 31 HA VAL 31 -7.009 0.227 0.836
221 HB VAL 31 HB VAL 31 -9.441 -0.312 0.742
222 1HG1 VAL 31 HG11 VAL 31 -7.462 -1.579 -1.090
223 2HG1 VAL 31 HG12 VAL 31 -8.632 -0.291 -1.358
224 3HG1 VAL 31 HG13 VAL 31 -9.171 -1.956 -1.295
225 1HG2 VAL 31 HG21 VAL 31 -8.477 -3.140 1.285
226 2HG2 VAL 31 HG22 VAL 31 -10.030 -2.757 0.559
227 3HG2 VAL 31 HG23 VAL 31 -9.671 -2.191 2.168
228 H GLN 32 HN GLN 32 -8.023 1.552 2.233
229 HA GLN 32 HA GLN 32 -7.721 0.917 5.030
230 1HB GLN 32 HB2 GLN 32 -7.266 3.177 4.252
231 2HB GLN 32 HB1 GLN 32 -8.896 3.349 3.624
232 1HG GLN 32 HG2 GLN 32 -8.474 4.514 5.767
233 2HG GLN 32 HG1 GLN 32 -9.835 3.406 5.827
234 1HE2 GLN 32 HE21 GLN 32 -9.726 3.213 8.072
235 2HE2 GLN 32 HE22 GLN 32 -8.439 2.358 8.844
236 H VAL 33 HN VAL 33 -8.987 -0.636 5.609
237 HA VAL 33 HA VAL 33 -11.753 -0.845 4.715
238 HB VAL 33 HB VAL 33 -10.282 -2.556 6.755
239 1HG1 VAL 33 HG11 VAL 33 -12.634 -2.891 6.972
240 2HG1 VAL 33 HG12 VAL 33 -12.020 -4.214 6.002
241 3HG1 VAL 33 HG13 VAL 33 -12.874 -2.890 5.218
242 1HG2 VAL 33 HG21 VAL 33 -10.605 -3.001 3.779
243 2HG2 VAL 33 HG22 VAL 33 -9.905 -4.118 4.944
244 3HG2 VAL 33 HG23 VAL 33 -9.101 -2.600 4.614
245 1HG HSL 34 HG1 HSL 34 -14.582 4.495 7.131
246 2HG HSL 34 HG2 HSL 34 -14.390 3.912 8.798
247 H HSL 34 HN HSL 34 -12.790 0.840 5.490
248 HA HSL 34 HA HSL 34 -13.175 0.948 8.163
249 1HB HSL 34 HB1 HSL 34 -12.828 3.303 6.415
250 2HB HSL 34 HB2 HSL 34 -12.420 3.085 8.120
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 0.480 3.606 -13.921
2 2H ALA 1 HT2 ALA 1 1.805 3.759 -12.882
3 3H ALA 1 HT3 ALA 1 0.314 4.483 -12.488
4 HA ALA 1 HA ALA 1 -0.739 2.314 -12.344
5 1HB ALA 1 HB1 ALA 1 0.600 0.271 -12.442
6 2HB ALA 1 HB2 ALA 1 2.044 1.229 -12.830
7 3HB ALA 1 HB3 ALA 1 0.684 1.183 -13.946
8 H CYS 2 HN CYS 2 -1.148 3.200 -10.451
9 HA CYS 2 HA CYS 2 0.782 3.434 -8.306
10 1HB CYS 2 HB2 CYS 2 -1.112 4.100 -6.956
11 2HB CYS 2 HB1 CYS 2 -1.284 4.837 -8.545
12 H GLY 3 HN GLY 3 0.682 2.272 -6.356
13 1HA GLY 3 HA2 GLY 3 0.335 -0.510 -6.453
14 2HA GLY 3 HA1 GLY 3 0.453 0.471 -4.997
15 H ILE 4 HN ILE 4 -1.320 -1.805 -5.786
16 HA ILE 4 HA ILE 4 -3.905 -0.570 -5.100
17 HB ILE 4 HB ILE 4 -5.038 -2.347 -6.420
18 1HG1 ILE 4 HG12 ILE 4 -2.261 -2.913 -7.504
19 2HG1 ILE 4 HG11 ILE 4 -3.119 -3.988 -6.400
20 1HG2 ILE 4 HG21 ILE 4 -4.701 -0.105 -7.324
21 2HG2 ILE 4 HG22 ILE 4 -4.731 -1.347 -8.561
22 3HG2 ILE 4 HG23 ILE 4 -3.186 -0.631 -8.072
23 1HD1 ILE 4 HD11 ILE 4 -3.925 -3.275 -9.203
24 2HD1 ILE 4 HD12 ILE 4 -4.904 -4.241 -8.086
25 3HD1 ILE 4 HD13 ILE 4 -3.317 -4.809 -8.592
26 H LEU 5 HN LEU 5 -5.438 -2.449 -4.601
27 HA LEU 5 HA LEU 5 -5.058 -2.867 -1.954
28 1HB LEU 5 HB2 LEU 5 -7.077 -4.175 -1.964
29 2HB LEU 5 HB1 LEU 5 -7.211 -2.843 -3.091
30 HG LEU 5 HG LEU 5 -6.500 -5.610 -4.054
31 1HD1 LEU 5 HD11 LEU 5 -8.601 -5.780 -2.846
32 2HD1 LEU 5 HD12 LEU 5 -8.789 -5.981 -4.583
33 3HD1 LEU 5 HD13 LEU 5 -9.259 -4.459 -3.828
34 1HD2 LEU 5 HD21 LEU 5 -7.635 -4.643 -6.127
35 2HD2 LEU 5 HD22 LEU 5 -6.030 -4.067 -5.740
36 3HD2 LEU 5 HD23 LEU 5 -7.438 -3.061 -5.371
37 H HIS 6 HN HIS 6 -3.716 -4.833 -4.404
38 HA HIS 6 HA HIS 6 -2.717 -6.625 -2.352
39 1HB HIS 6 HB2 HIS 6 -3.152 -8.623 -3.739
40 2HB HIS 6 HB1 HIS 6 -4.619 -7.816 -3.215
41 HD1 HIS 6 HD1 HIS 6 -2.510 -8.301 -6.329
42 HD2 HIS 6 HD2 HIS 6 -6.316 -7.104 -5.215
43 HE1 HIS 6 HE1 HIS 6 -3.801 -8.035 -8.465
44 HE2 HIS 6 HE2 HIS 6 -6.055 -7.167 -7.768
45 H ASP 7 HN ASP 7 -1.559 -4.444 -3.600
46 HA ASP 7 HA ASP 7 0.414 -5.652 -5.430
47 1HB ASP 7 HB2 ASP 7 -0.409 -3.436 -5.986
48 2HB ASP 7 HB1 ASP 7 0.151 -2.771 -4.451
49 H ASN 8 HN ASN 8 1.944 -6.690 -4.593
50 HA ASN 8 HA ASN 8 2.736 -6.669 -1.884
51 1HB ASN 8 HB2 ASN 8 4.186 -7.663 -4.352
52 2HB ASN 8 HB1 ASN 8 4.753 -7.945 -2.700
53 1HD2 ASN 8 HD21 ASN 8 2.340 -8.768 -5.101
54 2HD2 ASN 8 HD22 ASN 8 1.713 -10.118 -4.226
55 H CYS 9 HN CYS 9 3.812 -5.222 -0.832
56 HA CYS 9 HA CYS 9 5.433 -3.230 -2.180
57 1HB CYS 9 HB2 CYS 9 3.047 -2.567 -2.526
58 2HB CYS 9 HB1 CYS 9 2.834 -2.464 -0.786
59 H VAL 10 HN VAL 10 6.752 -2.233 -0.922
60 HA VAL 10 HA VAL 10 7.123 -3.198 1.808
61 HB VAL 10 HB VAL 10 9.069 -2.880 0.358
62 1HG1 VAL 10 HG11 VAL 10 9.815 -0.795 -0.421
63 2HG1 VAL 10 HG12 VAL 10 8.595 0.093 0.457
64 3HG1 VAL 10 HG13 VAL 10 8.140 -0.902 -0.924
65 1HG2 VAL 10 HG21 VAL 10 10.486 -1.821 1.911
66 2HG2 VAL 10 HG22 VAL 10 9.225 -2.590 2.863
67 3HG2 VAL 10 HG23 VAL 10 9.197 -0.840 2.589
68 H TYR 11 HN TYR 11 7.104 -1.970 3.614
69 HA TYR 11 HA TYR 11 4.984 -0.029 3.716
70 1HB TYR 11 HB2 TYR 11 5.419 -1.691 5.498
71 2HB TYR 11 HB1 TYR 11 6.919 -0.871 5.902
72 HD1 TYR 11 HD1 TYR 11 6.892 1.127 7.262
73 HD2 TYR 11 HD2 TYR 11 3.232 -0.519 5.883
74 HE1 TYR 11 HE1 TYR 11 5.643 2.590 8.775
75 HE2 TYR 11 HE2 TYR 11 1.975 0.911 7.387
76 HH TYR 11 HH TYR 11 2.667 2.153 9.756
77 H VAL 12 HN VAL 12 5.843 1.427 2.227
78 HA VAL 12 HA VAL 12 7.609 3.440 3.537
79 HB VAL 12 HB VAL 12 8.338 4.138 1.246
80 1HG1 VAL 12 HG11 VAL 12 9.823 2.866 2.675
81 2HG1 VAL 12 HG12 VAL 12 10.003 2.380 0.994
82 3HG1 VAL 12 HG13 VAL 12 9.113 1.346 2.110
83 1HG2 VAL 12 HG21 VAL 12 8.203 2.384 -0.529
84 2HG2 VAL 12 HG22 VAL 12 6.673 3.151 -0.189
85 3HG2 VAL 12 HG23 VAL 12 7.008 1.543 0.429
86 HA PRO 13 HA PRO 13 3.371 5.036 2.840
87 1HB PRO 13 HB2 PRO 13 3.819 6.442 5.378
88 2HB PRO 13 HB1 PRO 13 2.597 5.253 4.926
89 1HG PRO 13 HG2 PRO 13 4.609 4.729 6.655
90 2HG PRO 13 HG1 PRO 13 3.864 3.485 5.635
91 1HD PRO 13 HD2 PRO 13 6.458 4.954 5.268
92 2HD PRO 13 HD1 PRO 13 6.040 3.260 5.048
93 H ALA 14 HN ALA 14 6.268 6.663 3.971
94 HA ALA 14 HA ALA 14 5.438 9.329 3.553
95 1HB ALA 14 HB1 ALA 14 7.287 8.702 5.004
96 2HB ALA 14 HB2 ALA 14 7.797 9.893 3.814
97 3HB ALA 14 HB3 ALA 14 8.246 8.187 3.620
98 H GLN 15 HN GLN 15 6.810 6.872 1.533
99 HA GLN 15 HA GLN 15 6.448 8.653 -0.838
100 1HB GLN 15 HB2 GLN 15 8.540 6.484 -0.382
101 2HB GLN 15 HB1 GLN 15 8.313 7.416 -1.878
102 1HG GLN 15 HG2 GLN 15 8.952 9.469 -0.714
103 2HG GLN 15 HG1 GLN 15 9.127 8.575 0.802
104 1HE2 GLN 15 HE21 GLN 15 10.514 9.204 -2.344
105 2HE2 GLN 15 HE22 GLN 15 12.035 8.467 -1.990
106 H ASN 16 HN ASN 16 4.412 7.302 0.217
107 HA ASN 16 HA ASN 16 4.095 4.620 -0.642
108 1HB ASN 16 HB2 ASN 16 2.748 5.701 1.109
109 2HB ASN 16 HB1 ASN 16 1.923 6.670 -0.069
110 1HD2 ASN 16 HD21 ASN 16 -0.106 5.819 0.305
111 2HD2 ASN 16 HD22 ASN 16 -0.492 4.167 0.005
112 HA PRO 17 HA PRO 17 3.336 5.810 -4.935
113 1HB PRO 17 HB2 PRO 17 4.253 3.538 -6.015
114 2HB PRO 17 HB1 PRO 17 5.338 4.701 -5.251
115 1HG PRO 17 HG2 PRO 17 4.369 2.088 -4.214
116 2HG PRO 17 HG1 PRO 17 5.935 2.885 -3.995
117 1HD PRO 17 HD2 PRO 17 3.751 2.880 -2.193
118 2HD PRO 17 HD1 PRO 17 5.259 3.807 -2.092
119 H CYS 18 HN CYS 18 1.563 4.315 -2.878
120 HA CYS 18 HA CYS 18 -0.087 2.700 -4.651
121 1HB CYS 18 HB2 CYS 18 0.719 1.917 -2.381
122 2HB CYS 18 HB1 CYS 18 -0.403 3.046 -1.673
123 H CYS 19 HN CYS 19 -2.228 3.060 -4.865
124 HA CYS 19 HA CYS 19 -2.913 5.776 -5.283
125 1HB CYS 19 HB2 CYS 19 -4.273 3.155 -5.539
126 2HB CYS 19 HB1 CYS 19 -5.352 4.528 -5.348
127 H ARG 20 HN ARG 20 -4.551 6.986 -4.465
128 HA ARG 20 HA ARG 20 -4.374 7.393 -1.674
129 1HB ARG 20 HB2 ARG 20 -4.802 9.232 -3.099
130 2HB ARG 20 HB1 ARG 20 -6.230 8.465 -3.800
131 1HG ARG 20 HG2 ARG 20 -7.347 8.678 -1.530
132 2HG ARG 20 HG1 ARG 20 -5.915 9.567 -0.990
133 1HD ARG 20 HD2 ARG 20 -7.776 10.994 -1.632
134 2HD ARG 20 HD1 ARG 20 -6.346 11.299 -2.591
135 HE ARG 20 HE ARG 20 -7.358 10.046 -4.436
136 1HH1 ARG 20 HH11 ARG 20 -9.549 11.121 -1.892
137 2HH1 ARG 20 HH12 ARG 20 -10.886 11.192 -2.959
138 1HH2 ARG 20 HH21 ARG 20 -9.167 10.093 -5.779
139 2HH2 ARG 20 HH22 ARG 20 -10.697 10.610 -5.152
140 H GLY 21 HN GLY 21 -5.292 6.411 -0.109
141 1HA GLY 21 HA2 GLY 21 -7.206 5.649 1.045
142 2HA GLY 21 HA1 GLY 21 -7.966 5.142 -0.454
143 H LEU 22 HN LEU 22 -4.743 4.378 -0.598
144 HA LEU 22 HA LEU 22 -5.088 1.749 0.690
145 1HB LEU 22 HB2 LEU 22 -3.785 2.281 -1.987
146 2HB LEU 22 HB1 LEU 22 -3.855 0.738 -1.142
147 HG LEU 22 HG LEU 22 -6.387 0.915 -1.360
148 1HD1 LEU 22 HD11 LEU 22 -5.543 3.045 -3.292
149 2HD1 LEU 22 HD12 LEU 22 -6.742 3.152 -2.029
150 3HD1 LEU 22 HD13 LEU 22 -7.049 2.173 -3.421
151 1HD2 LEU 22 HD21 LEU 22 -6.344 -0.120 -3.496
152 2HD2 LEU 22 HD22 LEU 22 -4.927 -0.638 -2.595
153 3HD2 LEU 22 HD23 LEU 22 -4.774 0.586 -3.863
154 H GLN 23 HN GLN 23 -3.417 0.971 1.738
155 HA GLN 23 HA GLN 23 -1.036 2.737 2.015
156 1HB GLN 23 HB2 GLN 23 -2.402 3.022 3.940
157 2HB GLN 23 HB1 GLN 23 -2.646 1.292 4.139
158 1HG GLN 23 HG2 GLN 23 -0.197 1.074 4.649
159 2HG GLN 23 HG1 GLN 23 -0.049 2.831 4.497
160 1HE2 GLN 23 HE21 GLN 23 -0.862 4.138 6.150
161 2HE2 GLN 23 HE22 GLN 23 -1.328 3.459 7.668
162 H CYS 24 HN CYS 24 0.723 1.844 1.502
163 HA CYS 24 HA CYS 24 1.121 -0.964 1.094
164 1HB CYS 24 HB2 CYS 24 2.923 1.416 1.120
165 2HB CYS 24 HB1 CYS 24 3.586 -0.212 1.038
166 H ARG 25 HN ARG 25 0.661 -2.108 2.832
167 HA ARG 25 HA ARG 25 2.243 -1.591 5.270
168 1HB ARG 25 HB2 ARG 25 -0.195 -1.903 5.489
169 2HB ARG 25 HB1 ARG 25 -0.054 -3.533 4.852
170 1HG ARG 25 HG2 ARG 25 1.617 -2.741 7.251
171 2HG ARG 25 HG1 ARG 25 -0.111 -2.983 7.443
172 1HD ARG 25 HD2 ARG 25 1.584 -5.086 6.119
173 2HD ARG 25 HD1 ARG 25 1.430 -4.960 7.857
174 HE ARG 25 HE ARG 25 -1.146 -4.955 7.084
175 1HH1 ARG 25 HH11 ARG 25 1.534 -7.096 6.251
176 2HH1 ARG 25 HH12 ARG 25 0.504 -8.457 6.077
177 1HH2 ARG 25 HH21 ARG 25 -2.454 -6.760 6.847
178 2HH2 ARG 25 HH22 ARG 25 -1.762 -8.287 6.413
179 H TYR 26 HN TYR 26 3.358 -3.237 6.228
180 HA TYR 26 HA TYR 26 5.303 -4.436 4.835
181 1HB TYR 26 HB2 TYR 26 4.050 -5.569 7.359
182 2HB TYR 26 HB1 TYR 26 5.656 -5.979 6.742
183 HD1 TYR 26 HD1 TYR 26 7.524 -4.459 7.018
184 HD2 TYR 26 HD2 TYR 26 3.601 -3.344 8.321
185 HE1 TYR 26 HE1 TYR 26 8.466 -2.591 8.291
186 HE2 TYR 26 HE2 TYR 26 4.554 -1.482 9.580
187 HH TYR 26 HH TYR 26 7.067 -1.056 10.662
188 H GLY 27 HN GLY 27 4.804 -5.369 2.989
189 1HA GLY 27 HA2 GLY 27 4.706 -7.751 2.253
190 2HA GLY 27 HA1 GLY 27 3.135 -7.851 3.032
191 H LYS 28 HN LYS 28 1.818 -5.681 2.361
192 HA LYS 28 HA LYS 28 2.030 -5.044 -0.450
193 1HB LYS 28 HB2 LYS 28 0.037 -6.081 -1.233
194 2HB LYS 28 HB1 LYS 28 1.004 -7.335 -0.481
195 1HG LYS 28 HG2 LYS 28 -0.382 -7.449 1.402
196 2HG LYS 28 HG1 LYS 28 -1.224 -5.937 1.025
197 1HD LYS 28 HD2 LYS 28 -2.160 -6.968 -0.958
198 2HD LYS 28 HD1 LYS 28 -1.388 -8.500 -0.595
199 1HE LYS 28 HE2 LYS 28 -3.420 -7.058 1.138
200 2HE LYS 28 HE1 LYS 28 -3.755 -8.395 0.043
201 1HZ LYS 28 HZ1 LYS 28 -2.114 -8.468 2.512
202 2HZ LYS 28 HZ2 LYS 28 -2.091 -9.724 1.364
203 3HZ LYS 28 HZ3 LYS 28 -3.526 -9.315 2.150
204 H CYS 29 HN CYS 29 0.368 -3.694 -1.203
205 HA CYS 29 HA CYS 29 -0.452 -1.821 0.809
206 1HB CYS 29 HB2 CYS 29 0.361 -1.137 -1.454
207 2HB CYS 29 HB1 CYS 29 -1.110 -1.759 -2.133
208 H LEU 30 HN LEU 30 -2.346 -1.536 1.647
209 HA LEU 30 HA LEU 30 -4.570 -3.258 0.692
210 1HB LEU 30 HB2 LEU 30 -5.272 -3.417 3.112
211 2HB LEU 30 HB1 LEU 30 -3.835 -4.293 2.636
212 HG LEU 30 HG LEU 30 -2.476 -2.317 3.594
213 1HD1 LEU 30 HD11 LEU 30 -3.846 -1.285 5.548
214 2HD1 LEU 30 HD12 LEU 30 -5.244 -1.596 4.522
215 3HD1 LEU 30 HD13 LEU 30 -3.920 -0.576 3.952
216 1HD2 LEU 30 HD21 LEU 30 -2.568 -3.229 5.812
217 2HD2 LEU 30 HD22 LEU 30 -2.619 -4.533 4.632
218 3HD2 LEU 30 HD23 LEU 30 -4.098 -4.035 5.475
219 H VAL 31 HN VAL 31 -6.561 -2.513 0.898
220 HA VAL 31 HA VAL 31 -6.875 0.323 0.477
221 HB VAL 31 HB VAL 31 -9.350 -0.249 0.354
222 1HG1 VAL 31 HG11 VAL 31 -7.280 -1.485 -1.422
223 2HG1 VAL 31 HG12 VAL 31 -8.314 -0.086 -1.690
224 3HG1 VAL 31 HG13 VAL 31 -9.000 -1.704 -1.741
225 1HG2 VAL 31 HG21 VAL 31 -9.320 -2.283 1.803
226 2HG2 VAL 31 HG22 VAL 31 -8.341 -3.105 0.590
227 3HG2 VAL 31 HG23 VAL 31 -9.965 -2.580 0.206
228 H GLN 32 HN GLN 32 -6.239 1.313 2.261
229 HA GLN 32 HA GLN 32 -7.229 0.794 4.879
230 1HB GLN 32 HB2 GLN 32 -6.226 2.886 5.523
231 2HB GLN 32 HB1 GLN 32 -5.154 2.021 4.419
232 1HG GLN 32 HG2 GLN 32 -5.845 3.449 2.604
233 2HG GLN 32 HG1 GLN 32 -6.923 4.370 3.632
234 1HE2 GLN 32 HE21 GLN 32 -5.976 5.664 5.287
235 2HE2 GLN 32 HE22 GLN 32 -4.361 6.221 5.091
236 H VAL 33 HN VAL 33 -9.144 1.039 5.581
237 HA VAL 33 HA VAL 33 -11.182 2.490 4.068
238 HB VAL 33 HB VAL 33 -11.482 1.047 6.732
239 1HG1 VAL 33 HG11 VAL 33 -13.385 2.419 6.375
240 2HG1 VAL 33 HG12 VAL 33 -13.846 0.811 5.856
241 3HG1 VAL 33 HG13 VAL 33 -13.452 2.031 4.649
242 1HG2 VAL 33 HG21 VAL 33 -12.238 -0.863 5.448
243 2HG2 VAL 33 HG22 VAL 33 -10.562 -0.494 5.073
244 3HG2 VAL 33 HG23 VAL 33 -11.847 -0.051 3.935
245 1HG HSL 34 HG1 HSL 34 -6.797 5.335 9.147
246 2HG HSL 34 HG2 HSL 34 -8.152 6.223 9.875
247 H HSL 34 HN HSL 34 -8.935 3.125 6.455
248 HA HSL 34 HA HSL 34 -10.444 5.576 7.641
249 1HB HSL 34 HB1 HSL 34 -8.162 3.803 8.253
250 2HB HSL 34 HB2 HSL 34 -9.412 4.454 9.319
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 3.718 1.781 -13.013
2 2H ALA 1 HT2 ALA 1 4.178 1.912 -11.391
3 3H ALA 1 HT3 ALA 1 3.400 3.210 -12.172
4 HA ALA 1 HA ALA 1 1.404 1.879 -12.471
5 1HB ALA 1 HB1 ALA 1 2.515 -0.281 -12.572
6 2HB ALA 1 HB2 ALA 1 1.212 -0.315 -11.389
7 3HB ALA 1 HB3 ALA 1 2.902 -0.204 -10.856
8 H CYS 2 HN CYS 2 -0.231 2.076 -11.061
9 HA CYS 2 HA CYS 2 0.397 3.337 -8.465
10 1HB CYS 2 HB2 CYS 2 -1.327 4.290 -10.004
11 2HB CYS 2 HB1 CYS 2 -2.332 2.873 -9.738
12 H GLY 3 HN GLY 3 0.496 2.202 -6.730
13 1HA GLY 3 HA2 GLY 3 0.235 -0.547 -6.563
14 2HA GLY 3 HA1 GLY 3 0.261 0.521 -5.197
15 H ILE 4 HN ILE 4 -1.450 -1.782 -6.549
16 HA ILE 4 HA ILE 4 -4.142 -0.739 -6.098
17 HB ILE 4 HB ILE 4 -4.897 -3.008 -6.838
18 1HG1 ILE 4 HG12 ILE 4 -1.961 -3.476 -7.351
19 2HG1 ILE 4 HG11 ILE 4 -2.882 -4.317 -6.091
20 1HG2 ILE 4 HG21 ILE 4 -2.982 -1.669 -8.766
21 2HG2 ILE 4 HG22 ILE 4 -4.624 -1.123 -8.396
22 3HG2 ILE 4 HG23 ILE 4 -4.380 -2.686 -9.151
23 1HD1 ILE 4 HD11 ILE 4 -4.288 -5.227 -7.956
24 2HD1 ILE 4 HD12 ILE 4 -2.600 -5.728 -7.937
25 3HD1 ILE 4 HD13 ILE 4 -3.127 -4.502 -9.082
26 H LEU 5 HN LEU 5 -5.622 -2.374 -5.077
27 HA LEU 5 HA LEU 5 -5.120 -1.952 -2.325
28 1HB LEU 5 HB2 LEU 5 -7.341 -2.878 -1.991
29 2HB LEU 5 HB1 LEU 5 -7.287 -1.707 -3.284
30 HG LEU 5 HG LEU 5 -6.976 -4.037 -4.711
31 1HD1 LEU 5 HD11 LEU 5 -7.270 -5.484 -2.778
32 2HD1 LEU 5 HD12 LEU 5 -8.635 -5.606 -3.864
33 3HD1 LEU 5 HD13 LEU 5 -8.790 -4.677 -2.378
34 1HD2 LEU 5 HD21 LEU 5 -9.606 -2.757 -3.938
35 2HD2 LEU 5 HD22 LEU 5 -9.280 -3.772 -5.341
36 3HD2 LEU 5 HD23 LEU 5 -8.519 -2.191 -5.219
37 H HIS 6 HN HIS 6 -3.960 -4.383 -4.177
38 HA HIS 6 HA HIS 6 -3.017 -5.739 -1.806
39 1HB HIS 6 HB2 HIS 6 -3.659 -7.982 -2.623
40 2HB HIS 6 HB1 HIS 6 -5.041 -6.987 -2.205
41 HD1 HIS 6 HD1 HIS 6 -3.125 -7.726 -5.457
42 HD2 HIS 6 HD2 HIS 6 -6.993 -7.304 -4.000
43 HE1 HIS 6 HE1 HIS 6 -4.623 -8.095 -7.415
44 HE2 HIS 6 HE2 HIS 6 -6.959 -7.980 -6.488
45 H ASP 7 HN ASP 7 -1.717 -4.050 -3.381
46 HA ASP 7 HA ASP 7 -0.052 -5.780 -5.146
47 1HB ASP 7 HB2 ASP 7 -0.871 -3.688 -6.100
48 2HB ASP 7 HB1 ASP 7 -0.061 -2.733 -4.914
49 H ASN 8 HN ASN 8 1.837 -6.370 -4.590
50 HA ASN 8 HA ASN 8 2.828 -6.194 -2.017
51 1HB ASN 8 HB2 ASN 8 4.820 -7.248 -2.774
52 2HB ASN 8 HB1 ASN 8 3.493 -7.863 -3.742
53 1HD2 ASN 8 HD21 ASN 8 3.335 -5.508 -5.558
54 2HD2 ASN 8 HD22 ASN 8 4.749 -5.610 -6.494
55 H CYS 9 HN CYS 9 3.997 -4.864 -0.919
56 HA CYS 9 HA CYS 9 5.870 -2.990 -1.949
57 1HB CYS 9 HB2 CYS 9 4.683 -0.912 -1.313
58 2HB CYS 9 HB1 CYS 9 3.835 -1.753 -2.591
59 H VAL 10 HN VAL 10 7.109 -2.165 -0.427
60 HA VAL 10 HA VAL 10 6.916 -3.327 2.254
61 HB VAL 10 HB VAL 10 9.082 -2.170 2.667
62 1HG1 VAL 10 HG11 VAL 10 9.036 -4.452 1.775
63 2HG1 VAL 10 HG12 VAL 10 10.412 -3.528 1.185
64 3HG1 VAL 10 HG13 VAL 10 9.032 -3.808 0.123
65 1HG2 VAL 10 HG21 VAL 10 8.988 -0.227 1.327
66 2HG2 VAL 10 HG22 VAL 10 8.662 -1.125 -0.153
67 3HG2 VAL 10 HG23 VAL 10 10.231 -1.229 0.623
68 H TYR 11 HN TYR 11 7.087 -2.095 4.121
69 HA TYR 11 HA TYR 11 5.021 -0.072 4.189
70 1HB TYR 11 HB2 TYR 11 5.477 -1.844 5.926
71 2HB TYR 11 HB1 TYR 11 6.821 -0.908 6.497
72 HD1 TYR 11 HD1 TYR 11 6.312 1.473 7.368
73 HD2 TYR 11 HD2 TYR 11 3.285 -1.437 6.624
74 HE1 TYR 11 HE1 TYR 11 4.756 2.731 8.758
75 HE2 TYR 11 HE2 TYR 11 1.726 -0.176 8.014
76 HH TYR 11 HH TYR 11 2.134 1.610 10.092
77 H VAL 12 HN VAL 12 6.149 1.332 2.732
78 HA VAL 12 HA VAL 12 7.757 3.276 4.270
79 HB VAL 12 HB VAL 12 9.346 2.079 2.881
80 1HG1 VAL 12 HG11 VAL 12 7.628 1.473 1.064
81 2HG1 VAL 12 HG12 VAL 12 9.257 1.892 0.573
82 3HG1 VAL 12 HG13 VAL 12 7.972 3.068 0.392
83 1HG2 VAL 12 HG21 VAL 12 8.923 4.801 1.664
84 2HG2 VAL 12 HG22 VAL 12 10.415 3.942 1.951
85 3HG2 VAL 12 HG23 VAL 12 9.508 4.582 3.313
86 HA PRO 13 HA PRO 13 3.938 5.237 2.735
87 1HB PRO 13 HB2 PRO 13 4.739 7.096 4.923
88 2HB PRO 13 HB1 PRO 13 3.192 6.310 4.583
89 1HG PRO 13 HG2 PRO 13 4.765 5.520 6.588
90 2HG PRO 13 HG1 PRO 13 3.795 4.357 5.663
91 1HD PRO 13 HD2 PRO 13 6.733 4.952 5.506
92 2HD PRO 13 HD1 PRO 13 5.848 3.413 5.406
93 H ALA 14 HN ALA 14 6.998 6.655 3.717
94 HA ALA 14 HA ALA 14 6.933 9.117 2.488
95 1HB ALA 14 HB1 ALA 14 8.693 8.352 3.983
96 2HB ALA 14 HB2 ALA 14 9.373 9.022 2.505
97 3HB ALA 14 HB3 ALA 14 9.319 7.264 2.748
98 H GLN 15 HN GLN 15 7.615 5.968 1.136
99 HA GLN 15 HA GLN 15 7.706 7.150 -1.596
100 1HB GLN 15 HB2 GLN 15 9.131 4.676 -0.550
101 2HB GLN 15 HB1 GLN 15 9.203 5.317 -2.207
102 1HG GLN 15 HG2 GLN 15 10.324 7.332 -1.388
103 2HG GLN 15 HG1 GLN 15 10.219 6.732 0.274
104 1HE2 GLN 15 HE21 GLN 15 11.805 6.395 -2.820
105 2HE2 GLN 15 HE22 GLN 15 13.068 5.372 -2.236
106 H ASN 16 HN ASN 16 5.359 6.541 -0.326
107 HA ASN 16 HA ASN 16 4.461 3.903 -0.970
108 1HB ASN 16 HB2 ASN 16 3.435 5.180 0.812
109 2HB ASN 16 HB1 ASN 16 2.847 6.388 -0.307
110 1HD2 ASN 16 HD21 ASN 16 2.374 3.255 1.062
111 2HD2 ASN 16 HD22 ASN 16 0.892 2.907 0.248
112 HA PRO 17 HA PRO 17 3.577 5.131 -5.229
113 1HB PRO 17 HB2 PRO 17 4.090 2.728 -6.292
114 2HB PRO 17 HB1 PRO 17 5.373 3.748 -5.643
115 1HG PRO 17 HG2 PRO 17 4.212 1.279 -4.517
116 2HG PRO 17 HG1 PRO 17 5.830 1.966 -4.309
117 1HD PRO 17 HD2 PRO 17 3.548 2.189 -2.562
118 2HD PRO 17 HD1 PRO 17 5.200 2.790 -2.349
119 H CYS 18 HN CYS 18 1.714 3.835 -3.027
120 HA CYS 18 HA CYS 18 -0.061 2.249 -4.670
121 1HB CYS 18 HB2 CYS 18 0.710 1.548 -2.372
122 2HB CYS 18 HB1 CYS 18 -0.313 2.814 -1.715
123 H CYS 19 HN CYS 19 -2.179 2.657 -4.918
124 HA CYS 19 HA CYS 19 -2.875 5.334 -5.474
125 1HB CYS 19 HB2 CYS 19 -4.667 2.918 -5.082
126 2HB CYS 19 HB1 CYS 19 -5.176 4.440 -5.803
127 H ARG 20 HN ARG 20 -4.147 6.771 -4.530
128 HA ARG 20 HA ARG 20 -3.776 7.048 -1.731
129 1HB ARG 20 HB2 ARG 20 -5.553 8.525 -3.693
130 2HB ARG 20 HB1 ARG 20 -5.405 8.998 -1.986
131 1HG ARG 20 HG2 ARG 20 -3.032 9.417 -2.271
132 2HG ARG 20 HG1 ARG 20 -3.102 8.863 -3.953
133 1HD ARG 20 HD2 ARG 20 -4.630 10.661 -4.505
134 2HD ARG 20 HD1 ARG 20 -4.622 11.222 -2.815
135 HE ARG 20 HE ARG 20 -1.980 11.266 -3.522
136 1HH1 ARG 20 HH11 ARG 20 -4.895 12.625 -4.961
137 2HH1 ARG 20 HH12 ARG 20 -4.082 14.030 -5.514
138 1HH2 ARG 20 HH21 ARG 20 -0.944 13.141 -4.258
139 2HH2 ARG 20 HH22 ARG 20 -1.842 14.342 -5.125
140 H GLY 21 HN GLY 21 -4.919 6.642 -0.047
141 1HA GLY 21 HA2 GLY 21 -6.870 6.098 1.138
142 2HA GLY 21 HA1 GLY 21 -7.642 5.484 -0.314
143 H LEU 22 HN LEU 22 -4.938 4.181 -0.933
144 HA LEU 22 HA LEU 22 -5.409 1.723 0.614
145 1HB LEU 22 HB2 LEU 22 -3.893 2.272 -1.950
146 2HB LEU 22 HB1 LEU 22 -3.946 0.726 -1.133
147 HG LEU 22 HG LEU 22 -6.259 0.463 -1.592
148 1HD1 LEU 22 HD11 LEU 22 -7.330 2.150 -3.189
149 2HD1 LEU 22 HD12 LEU 22 -6.112 3.284 -2.612
150 3HD1 LEU 22 HD13 LEU 22 -7.262 2.551 -1.488
151 1HD2 LEU 22 HD21 LEU 22 -6.127 0.027 -3.842
152 2HD2 LEU 22 HD22 LEU 22 -4.458 -0.024 -3.304
153 3HD2 LEU 22 HD23 LEU 22 -5.058 1.376 -4.148
154 H GLN 23 HN GLN 23 -3.965 0.897 1.915
155 HA GLN 23 HA GLN 23 -1.554 2.564 2.459
156 1HB GLN 23 HB2 GLN 23 -3.201 0.942 4.439
157 2HB GLN 23 HB1 GLN 23 -1.816 1.972 4.825
158 1HG GLN 23 HG2 GLN 23 -4.527 2.813 3.831
159 2HG GLN 23 HG1 GLN 23 -3.826 3.105 5.419
160 1HE2 GLN 23 HE21 GLN 23 -4.897 5.010 3.446
161 2HE2 GLN 23 HE22 GLN 23 -3.581 6.073 3.098
162 H CYS 24 HN CYS 24 0.297 1.736 2.572
163 HA CYS 24 HA CYS 24 0.631 -1.021 1.704
164 1HB CYS 24 HB2 CYS 24 2.347 1.369 1.829
165 2HB CYS 24 HB1 CYS 24 3.154 -0.186 1.909
166 H ARG 25 HN ARG 25 0.499 -2.505 3.091
167 HA ARG 25 HA ARG 25 1.773 -2.307 5.742
168 1HB ARG 25 HB2 ARG 25 0.618 -4.765 4.373
169 2HB ARG 25 HB1 ARG 25 0.936 -4.542 6.095
170 1HG ARG 25 HG2 ARG 25 -1.158 -3.078 4.453
171 2HG ARG 25 HG1 ARG 25 -1.433 -4.434 5.544
172 1HD ARG 25 HD2 ARG 25 -0.866 -3.189 7.439
173 2HD ARG 25 HD1 ARG 25 -0.192 -1.844 6.512
174 HE ARG 25 HE ARG 25 -2.701 -1.800 5.632
175 1HH1 ARG 25 HH11 ARG 25 -1.511 -2.115 8.943
176 2HH1 ARG 25 HH12 ARG 25 -2.815 -1.209 9.590
177 1HH2 ARG 25 HH21 ARG 25 -4.396 -0.622 6.533
178 2HH2 ARG 25 HH22 ARG 25 -4.459 -0.355 8.244
179 H TYR 26 HN TYR 26 3.404 -3.894 6.302
180 HA TYR 26 HA TYR 26 5.579 -3.575 4.452
181 1HB TYR 26 HB2 TYR 26 5.715 -3.619 6.995
182 2HB TYR 26 HB1 TYR 26 5.573 -5.361 6.913
183 HD1 TYR 26 HD1 TYR 26 7.802 -2.501 6.334
184 HD2 TYR 26 HD2 TYR 26 7.391 -6.723 5.920
185 HE1 TYR 26 HE1 TYR 26 10.185 -2.669 5.972
186 HE2 TYR 26 HE2 TYR 26 9.801 -6.896 5.526
187 HH TYR 26 HH TYR 26 11.954 -4.768 6.376
188 H GLY 27 HN GLY 27 4.717 -4.549 2.646
189 1HA GLY 27 HA2 GLY 27 5.657 -6.718 1.642
190 2HA GLY 27 HA1 GLY 27 4.442 -7.504 2.646
191 H LYS 28 HN LYS 28 2.512 -5.313 2.306
192 HA LYS 28 HA LYS 28 1.822 -5.322 -0.514
193 1HB LYS 28 HB2 LYS 28 -0.231 -6.603 -0.277
194 2HB LYS 28 HB1 LYS 28 1.167 -7.573 0.184
195 1HG LYS 28 HG2 LYS 28 0.687 -7.383 2.515
196 2HG LYS 28 HG1 LYS 28 -0.532 -6.145 2.255
197 1HD LYS 28 HD2 LYS 28 -1.614 -8.202 2.715
198 2HD LYS 28 HD1 LYS 28 -1.949 -7.738 1.049
199 1HE LYS 28 HE2 LYS 28 -0.290 -9.345 0.247
200 2HE LYS 28 HE1 LYS 28 0.158 -9.742 1.916
201 1HZ LYS 28 HZ1 LYS 28 -1.303 -11.361 0.960
202 2HZ LYS 28 HZ2 LYS 28 -2.499 -10.211 0.653
203 3HZ LYS 28 HZ3 LYS 28 -2.078 -10.604 2.256
204 H CYS 29 HN CYS 29 0.418 -3.861 -1.052
205 HA CYS 29 HA CYS 29 -0.561 -2.026 0.968
206 1HB CYS 29 HB2 CYS 29 0.375 -1.240 -1.254
207 2HB CYS 29 HB1 CYS 29 -1.016 -1.891 -2.012
208 H LEU 30 HN LEU 30 -2.583 -1.698 1.488
209 HA LEU 30 HA LEU 30 -4.678 -3.409 0.328
210 1HB LEU 30 HB2 LEU 30 -4.049 -3.136 3.274
211 2HB LEU 30 HB1 LEU 30 -5.487 -3.927 2.625
212 HG LEU 30 HG LEU 30 -2.643 -4.883 2.163
213 1HD1 LEU 30 HD11 LEU 30 -3.289 -5.064 4.518
214 2HD1 LEU 30 HD12 LEU 30 -3.150 -6.627 3.724
215 3HD1 LEU 30 HD13 LEU 30 -4.747 -5.953 4.042
216 1HD2 LEU 30 HD21 LEU 30 -3.993 -5.640 0.362
217 2HD2 LEU 30 HD22 LEU 30 -5.359 -5.995 1.421
218 3HD2 LEU 30 HD23 LEU 30 -3.901 -6.969 1.496
219 H VAL 31 HN VAL 31 -6.552 -2.543 0.180
220 HA VAL 31 HA VAL 31 -6.806 0.283 0.406
221 HB VAL 31 HB VAL 31 -8.006 -0.897 -1.309
222 1HG1 VAL 31 HG11 VAL 31 -9.830 -2.093 0.777
223 2HG1 VAL 31 HG12 VAL 31 -8.475 -2.987 0.081
224 3HG1 VAL 31 HG13 VAL 31 -9.770 -2.406 -0.947
225 1HG2 VAL 31 HG21 VAL 31 -8.897 1.257 -0.348
226 2HG2 VAL 31 HG22 VAL 31 -10.075 0.269 0.536
227 3HG2 VAL 31 HG23 VAL 31 -10.036 0.241 -1.219
228 H GLN 32 HN GLN 32 -6.945 1.331 2.153
229 HA GLN 32 HA GLN 32 -8.119 0.149 4.573
230 1HB GLN 32 HB2 GLN 32 -6.012 1.418 4.641
231 2HB GLN 32 HB1 GLN 32 -6.831 2.893 4.155
232 1HG GLN 32 HG2 GLN 32 -7.584 1.298 6.642
233 2HG GLN 32 HG1 GLN 32 -6.319 2.519 6.630
234 1HE2 GLN 32 HE21 GLN 32 -8.931 2.405 8.067
235 2HE2 GLN 32 HE22 GLN 32 -9.711 3.881 7.625
236 H VAL 33 HN VAL 33 -10.177 0.041 4.431
237 HA VAL 33 HA VAL 33 -11.733 2.528 4.299
238 HB VAL 33 HB VAL 33 -11.726 1.807 1.974
239 1HG1 VAL 33 HG11 VAL 33 -12.949 -0.826 2.837
240 2HG1 VAL 33 HG12 VAL 33 -11.243 -0.619 2.409
241 3HG1 VAL 33 HG13 VAL 33 -12.497 -0.301 1.221
242 1HG2 VAL 33 HG21 VAL 33 -14.425 1.068 3.117
243 2HG2 VAL 33 HG22 VAL 33 -14.034 1.823 1.581
244 3HG2 VAL 33 HG23 VAL 33 -13.823 2.735 3.067
245 1HG HSL 34 HG1 HSL 34 -14.253 2.605 9.859
246 2HG HSL 34 HG2 HSL 34 -14.444 0.856 10.102
247 H HSL 34 HN HSL 34 -13.208 2.563 5.721
248 HA HSL 34 HA HSL 34 -14.160 -0.123 7.000
249 1HB HSL 34 HB1 HSL 34 -12.771 0.622 8.629
250 2HB HSL 34 HB2 HSL 34 -12.894 2.305 8.106
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 2.152 5.060 -13.062
2 2H ALA 1 HT2 ALA 1 2.938 4.059 -11.949
3 3H ALA 1 HT3 ALA 1 2.433 5.622 -11.495
4 HA ALA 1 HA ALA 1 0.117 5.007 -11.823
5 1HB ALA 1 HB1 ALA 1 1.235 2.244 -12.380
6 2HB ALA 1 HB2 ALA 1 0.502 3.337 -13.549
7 3HB ALA 1 HB3 ALA 1 -0.484 2.667 -12.254
8 H CYS 2 HN CYS 2 -1.104 4.175 -10.162
9 HA CYS 2 HA CYS 2 0.453 3.880 -7.695
10 1HB CYS 2 HB2 CYS 2 -1.600 4.333 -6.575
11 2HB CYS 2 HB1 CYS 2 -1.302 5.549 -7.735
12 H GLY 3 HN GLY 3 0.542 2.121 -6.545
13 1HA GLY 3 HA2 GLY 3 -0.091 -0.397 -7.507
14 2HA GLY 3 HA1 GLY 3 0.359 -0.006 -5.855
15 H ILE 4 HN ILE 4 -1.538 -1.916 -6.804
16 HA ILE 4 HA ILE 4 -4.190 -0.842 -6.054
17 HB ILE 4 HB ILE 4 -5.003 -3.136 -6.736
18 1HG1 ILE 4 HG12 ILE 4 -2.128 -3.441 -7.676
19 2HG1 ILE 4 HG11 ILE 4 -2.909 -4.416 -6.425
20 1HG2 ILE 4 HG21 ILE 4 -3.505 -1.606 -8.883
21 2HG2 ILE 4 HG22 ILE 4 -5.080 -1.163 -8.209
22 3HG2 ILE 4 HG23 ILE 4 -4.904 -2.671 -9.086
23 1HD1 ILE 4 HD11 ILE 4 -4.509 -5.148 -8.253
24 2HD1 ILE 4 HD12 ILE 4 -2.841 -5.700 -8.350
25 3HD1 ILE 4 HD13 ILE 4 -3.385 -4.379 -9.378
26 H LEU 5 HN LEU 5 -5.515 -2.245 -4.794
27 HA LEU 5 HA LEU 5 -4.526 -2.278 -2.139
28 1HB LEU 5 HB2 LEU 5 -6.777 -3.106 -1.545
29 2HB LEU 5 HB1 LEU 5 -6.772 -1.684 -2.564
30 HG LEU 5 HG LEU 5 -6.942 -4.183 -4.126
31 1HD1 LEU 5 HD11 LEU 5 -9.231 -3.438 -2.319
32 2HD1 LEU 5 HD12 LEU 5 -8.220 -4.886 -2.155
33 3HD1 LEU 5 HD13 LEU 5 -9.215 -4.662 -3.587
34 1HD2 LEU 5 HD21 LEU 5 -8.634 -1.695 -4.062
35 2HD2 LEU 5 HD22 LEU 5 -8.624 -2.958 -5.288
36 3HD2 LEU 5 HD23 LEU 5 -7.219 -1.932 -5.092
37 H HIS 6 HN HIS 6 -3.647 -4.394 -4.285
38 HA HIS 6 HA HIS 6 -2.901 -6.285 -2.256
39 1HB HIS 6 HB2 HIS 6 -3.721 -8.261 -3.609
40 2HB HIS 6 HB1 HIS 6 -4.976 -7.306 -2.842
41 HD1 HIS 6 HD1 HIS 6 -3.657 -8.254 -6.213
42 HD2 HIS 6 HD2 HIS 6 -6.741 -6.041 -4.553
43 HE1 HIS 6 HE1 HIS 6 -5.218 -7.743 -8.105
44 HE2 HIS 6 HE2 HIS 6 -7.003 -6.278 -7.106
45 H ASP 7 HN ASP 7 -1.538 -4.371 -3.619
46 HA ASP 7 HA ASP 7 0.261 -6.075 -5.295
47 1HB ASP 7 HB2 ASP 7 -0.816 -3.939 -6.289
48 2HB ASP 7 HB1 ASP 7 0.307 -3.031 -5.336
49 H ASN 8 HN ASN 8 2.471 -5.727 -5.029
50 HA ASN 8 HA ASN 8 3.058 -5.882 -2.220
51 1HB ASN 8 HB2 ASN 8 4.794 -6.263 -4.659
52 2HB ASN 8 HB1 ASN 8 5.339 -6.547 -3.000
53 1HD2 ASN 8 HD21 ASN 8 5.062 -8.357 -5.334
54 2HD2 ASN 8 HD22 ASN 8 4.066 -9.640 -4.746
55 H CYS 9 HN CYS 9 4.125 -4.609 -1.003
56 HA CYS 9 HA CYS 9 5.980 -2.698 -1.559
57 1HB CYS 9 HB2 CYS 9 4.676 -0.562 -1.297
58 2HB CYS 9 HB1 CYS 9 4.392 -1.377 -2.808
59 H VAL 10 HN VAL 10 6.934 -2.360 0.219
60 HA VAL 10 HA VAL 10 5.796 -3.369 2.705
61 HB VAL 10 HB VAL 10 8.068 -2.939 3.643
62 1HG1 VAL 10 HG11 VAL 10 7.560 -5.078 2.613
63 2HG1 VAL 10 HG12 VAL 10 9.238 -4.596 2.398
64 3HG1 VAL 10 HG13 VAL 10 8.112 -4.451 1.050
65 1HG2 VAL 10 HG21 VAL 10 8.695 -0.949 2.321
66 2HG2 VAL 10 HG22 VAL 10 8.723 -1.938 0.856
67 3HG2 VAL 10 HG23 VAL 10 9.861 -2.245 2.152
68 H TYR 11 HN TYR 11 7.143 -1.788 4.505
69 HA TYR 11 HA TYR 11 5.256 0.219 4.981
70 1HB TYR 11 HB2 TYR 11 6.547 0.726 6.981
71 2HB TYR 11 HB1 TYR 11 6.403 -1.007 6.756
72 HD1 TYR 11 HD1 TYR 11 8.667 1.630 7.433
73 HD2 TYR 11 HD2 TYR 11 8.443 -2.220 5.586
74 HE1 TYR 11 HE1 TYR 11 11.086 1.370 7.654
75 HE2 TYR 11 HE2 TYR 11 10.861 -2.461 5.794
76 HH TYR 11 HH TYR 11 12.913 -0.615 6.022
77 H VAL 12 HN VAL 12 5.436 1.264 2.939
78 HA VAL 12 HA VAL 12 7.342 3.538 3.100
79 HB VAL 12 HB VAL 12 7.289 3.641 0.589
80 1HG1 VAL 12 HG11 VAL 12 9.244 2.829 1.817
81 2HG1 VAL 12 HG12 VAL 12 9.024 1.998 0.282
82 3HG1 VAL 12 HG13 VAL 12 8.585 1.185 1.782
83 1HG2 VAL 12 HG21 VAL 12 6.764 1.651 -0.658
84 2HG2 VAL 12 HG22 VAL 12 5.322 2.133 0.202
85 3HG2 VAL 12 HG23 VAL 12 6.296 0.788 0.788
86 HA PRO 13 HA PRO 13 3.060 5.142 3.165
87 1HB PRO 13 HB2 PRO 13 4.059 6.880 5.297
88 2HB PRO 13 HB1 PRO 13 2.787 5.659 5.330
89 1HG PRO 13 HG2 PRO 13 5.163 5.397 6.627
90 2HG PRO 13 HG1 PRO 13 4.194 4.021 6.067
91 1HD PRO 13 HD2 PRO 13 6.626 5.270 4.823
92 2HD PRO 13 HD1 PRO 13 6.157 3.589 5.036
93 H ALA 14 HN ALA 14 6.001 7.003 3.882
94 HA ALA 14 HA ALA 14 5.128 9.442 2.775
95 1HB ALA 14 HB1 ALA 14 6.941 9.267 4.389
96 2HB ALA 14 HB2 ALA 14 7.471 10.123 2.946
97 3HB ALA 14 HB3 ALA 14 7.957 8.437 3.215
98 H GLN 15 HN GLN 15 6.851 6.675 1.561
99 HA GLN 15 HA GLN 15 6.854 7.821 -1.194
100 1HB GLN 15 HB2 GLN 15 8.388 5.473 -0.025
101 2HB GLN 15 HB1 GLN 15 8.548 6.135 -1.668
102 1HG GLN 15 HG2 GLN 15 9.445 8.204 -0.792
103 2HG GLN 15 HG1 GLN 15 9.189 7.660 0.874
104 1HE2 GLN 15 HE21 GLN 15 10.566 6.084 1.751
105 2HE2 GLN 15 HE22 GLN 15 12.058 5.690 0.973
106 H ASN 16 HN ASN 16 4.476 7.004 -0.088
107 HA ASN 16 HA ASN 16 3.788 4.320 -0.624
108 1HB ASN 16 HB2 ASN 16 2.509 5.797 0.849
109 2HB ASN 16 HB1 ASN 16 1.961 6.748 -0.516
110 1HD2 ASN 16 HD21 ASN 16 0.314 5.411 1.386
111 2HD2 ASN 16 HD22 ASN 16 -0.537 4.175 0.531
112 HA PRO 17 HA PRO 17 3.593 4.949 -5.078
113 1HB PRO 17 HB2 PRO 17 4.165 2.422 -5.734
114 2HB PRO 17 HB1 PRO 17 5.378 3.473 -5.000
115 1HG PRO 17 HG2 PRO 17 3.804 1.275 -3.745
116 2HG PRO 17 HG1 PRO 17 5.488 1.758 -3.482
117 1HD PRO 17 HD2 PRO 17 3.272 2.484 -1.908
118 2HD PRO 17 HD1 PRO 17 4.912 3.123 -1.823
119 H CYS 18 HN CYS 18 1.543 3.536 -2.911
120 HA CYS 18 HA CYS 18 -0.138 2.059 -4.731
121 1HB CYS 18 HB2 CYS 18 0.424 1.324 -2.429
122 2HB CYS 18 HB1 CYS 18 -0.565 2.612 -1.787
123 H CYS 19 HN CYS 19 -2.386 2.462 -4.822
124 HA CYS 19 HA CYS 19 -3.002 5.117 -5.573
125 1HB CYS 19 HB2 CYS 19 -4.895 2.840 -4.966
126 2HB CYS 19 HB1 CYS 19 -5.303 4.314 -5.840
127 H ARG 20 HN ARG 20 -3.848 6.738 -4.702
128 HA ARG 20 HA ARG 20 -3.721 7.117 -1.925
129 1HB ARG 20 HB2 ARG 20 -3.551 8.912 -3.552
130 2HB ARG 20 HB1 ARG 20 -5.223 8.721 -4.046
131 1HG ARG 20 HG2 ARG 20 -4.499 9.350 -1.164
132 2HG ARG 20 HG1 ARG 20 -4.522 10.604 -2.400
133 1HD ARG 20 HD2 ARG 20 -6.854 10.089 -2.917
134 2HD ARG 20 HD1 ARG 20 -6.854 8.817 -1.736
135 HE ARG 20 HE ARG 20 -6.667 10.334 0.036
136 1HH1 ARG 20 HH11 ARG 20 -7.275 11.813 -3.108
137 2HH1 ARG 20 HH12 ARG 20 -7.918 13.242 -2.421
138 1HH2 ARG 20 HH21 ARG 20 -7.528 12.266 0.906
139 2HH2 ARG 20 HH22 ARG 20 -8.065 13.524 -0.156
140 H GLY 21 HN GLY 21 -4.941 6.473 -0.403
141 1HA GLY 21 HA2 GLY 21 -7.205 6.234 0.502
142 2HA GLY 21 HA1 GLY 21 -7.702 5.483 -1.009
143 H LEU 22 HN LEU 22 -4.793 4.338 -0.899
144 HA LEU 22 HA LEU 22 -5.416 2.042 0.902
145 1HB LEU 22 HB2 LEU 22 -3.805 2.012 -1.640
146 2HB LEU 22 HB1 LEU 22 -4.344 0.623 -0.694
147 HG LEU 22 HG LEU 22 -6.157 2.479 -2.243
148 1HD1 LEU 22 HD11 LEU 22 -5.095 -0.243 -2.939
149 2HD1 LEU 22 HD12 LEU 22 -4.771 1.250 -3.784
150 3HD1 LEU 22 HD13 LEU 22 -6.394 0.575 -3.781
151 1HD2 LEU 22 HD21 LEU 22 -7.300 1.438 -0.353
152 2HD2 LEU 22 HD22 LEU 22 -6.678 -0.153 -0.838
153 3HD2 LEU 22 HD23 LEU 22 -7.810 0.710 -1.867
154 H GLN 23 HN GLN 23 -3.599 0.969 1.750
155 HA GLN 23 HA GLN 23 -1.189 2.690 2.085
156 1HB GLN 23 HB2 GLN 23 -2.778 1.300 4.275
157 2HB GLN 23 HB1 GLN 23 -1.201 2.056 4.524
158 1HG GLN 23 HG2 GLN 23 -3.661 3.505 3.594
159 2HG GLN 23 HG1 GLN 23 -3.160 3.396 5.263
160 1HE2 GLN 23 HE21 GLN 23 -2.537 4.805 2.127
161 2HE2 GLN 23 HE22 GLN 23 -1.402 5.953 2.672
162 H CYS 24 HN CYS 24 0.632 1.762 2.036
163 HA CYS 24 HA CYS 24 0.806 -1.075 1.441
164 1HB CYS 24 HB2 CYS 24 2.828 1.130 1.513
165 2HB CYS 24 HB1 CYS 24 3.253 -0.543 1.200
166 H ARG 25 HN ARG 25 0.888 -2.515 2.869
167 HA ARG 25 HA ARG 25 2.228 -1.977 5.468
168 1HB ARG 25 HB2 ARG 25 -0.102 -2.590 5.681
169 2HB ARG 25 HB1 ARG 25 0.115 -4.012 4.655
170 1HG ARG 25 HG2 ARG 25 1.572 -5.026 6.373
171 2HG ARG 25 HG1 ARG 25 1.405 -3.576 7.377
172 1HD ARG 25 HD2 ARG 25 -0.885 -4.012 7.713
173 2HD ARG 25 HD1 ARG 25 -0.931 -5.253 6.464
174 HE ARG 25 HE ARG 25 0.614 -6.588 7.892
175 1HH1 ARG 25 HH11 ARG 25 -1.501 -4.178 9.372
176 2HH1 ARG 25 HH12 ARG 25 -1.612 -5.049 10.841
177 1HH2 ARG 25 HH21 ARG 25 0.444 -7.689 9.855
178 2HH2 ARG 25 HH22 ARG 25 -0.519 -7.035 11.138
179 H TYR 26 HN TYR 26 3.406 -3.727 6.361
180 HA TYR 26 HA TYR 26 5.525 -4.587 4.955
181 1HB TYR 26 HB2 TYR 26 4.138 -5.936 7.275
182 2HB TYR 26 HB1 TYR 26 5.667 -6.543 6.633
183 HD1 TYR 26 HD1 TYR 26 7.729 -5.150 6.786
184 HD2 TYR 26 HD2 TYR 26 4.054 -3.951 8.618
185 HE1 TYR 26 HE1 TYR 26 8.940 -3.554 8.181
186 HE2 TYR 26 HE2 TYR 26 5.286 -2.384 10.043
187 HH TYR 26 HH TYR 26 7.907 -2.287 10.890
188 H GLY 27 HN GLY 27 5.203 -5.221 2.975
189 1HA GLY 27 HA2 GLY 27 5.401 -7.364 1.810
190 2HA GLY 27 HA1 GLY 27 3.871 -7.848 2.517
191 H LYS 28 HN LYS 28 2.286 -5.677 2.202
192 HA LYS 28 HA LYS 28 2.301 -4.797 -0.558
193 1HB LYS 28 HB2 LYS 28 0.327 -6.045 -1.275
194 2HB LYS 28 HB1 LYS 28 1.653 -7.127 -0.881
195 1HG LYS 28 HG2 LYS 28 0.599 -7.596 1.297
196 2HG LYS 28 HG1 LYS 28 -0.750 -6.514 0.870
197 1HD LYS 28 HD2 LYS 28 -1.285 -7.935 -1.066
198 2HD LYS 28 HD1 LYS 28 0.051 -9.022 -0.642
199 1HE LYS 28 HE2 LYS 28 -1.050 -9.486 1.515
200 2HE LYS 28 HE1 LYS 28 -2.396 -8.439 1.034
201 1HZ LYS 28 HZ1 LYS 28 -2.876 -10.745 0.648
202 2HZ LYS 28 HZ2 LYS 28 -1.540 -10.927 -0.366
203 3HZ LYS 28 HZ3 LYS 28 -2.836 -9.924 -0.828
204 H CYS 29 HN CYS 29 0.354 -3.787 -1.197
205 HA CYS 29 HA CYS 29 -0.538 -1.995 0.887
206 1HB CYS 29 HB2 CYS 29 0.169 -1.114 -1.272
207 2HB CYS 29 HB1 CYS 29 -1.063 -1.990 -2.088
208 H LEU 30 HN LEU 30 -2.464 -1.764 1.650
209 HA LEU 30 HA LEU 30 -4.715 -3.365 0.556
210 1HB LEU 30 HB2 LEU 30 -3.883 -3.132 3.475
211 2HB LEU 30 HB1 LEU 30 -5.397 -3.849 2.919
212 HG LEU 30 HG LEU 30 -2.637 -4.937 2.284
213 1HD1 LEU 30 HD11 LEU 30 -3.158 -5.111 4.670
214 2HD1 LEU 30 HD12 LEU 30 -3.151 -6.673 3.860
215 3HD1 LEU 30 HD13 LEU 30 -4.688 -5.915 4.272
216 1HD2 LEU 30 HD21 LEU 30 -4.236 -5.537 0.552
217 2HD2 LEU 30 HD22 LEU 30 -5.423 -6.021 1.766
218 3HD2 LEU 30 HD23 LEU 30 -3.924 -6.922 1.577
219 H VAL 31 HN VAL 31 -6.747 -2.676 1.621
220 HA VAL 31 HA VAL 31 -7.157 0.097 1.221
221 HB VAL 31 HB VAL 31 -9.429 -0.266 2.119
222 1HG1 VAL 31 HG11 VAL 31 -8.536 -2.478 0.258
223 2HG1 VAL 31 HG12 VAL 31 -8.972 -0.827 -0.217
224 3HG1 VAL 31 HG13 VAL 31 -10.180 -1.888 0.494
225 1HG2 VAL 31 HG21 VAL 31 -9.070 -1.778 3.947
226 2HG2 VAL 31 HG22 VAL 31 -8.341 -2.996 2.892
227 3HG2 VAL 31 HG23 VAL 31 -10.050 -2.615 2.759
228 H GLN 32 HN GLN 32 -7.268 1.789 2.514
229 HA GLN 32 HA GLN 32 -6.021 1.424 5.159
230 1HB GLN 32 HB2 GLN 32 -5.421 3.625 5.121
231 2HB GLN 32 HB1 GLN 32 -5.383 3.180 3.405
232 1HG GLN 32 HG2 GLN 32 -7.513 4.282 3.035
233 2HG GLN 32 HG1 GLN 32 -7.631 4.680 4.736
234 1HE2 GLN 32 HE21 GLN 32 -7.732 6.853 4.518
235 2HE2 GLN 32 HE22 GLN 32 -6.371 7.768 3.977
236 H VAL 33 HN VAL 33 -7.231 1.004 6.743
237 HA VAL 33 HA VAL 33 -9.999 1.979 6.941
238 HB VAL 33 HB VAL 33 -10.008 0.807 9.157
239 1HG1 VAL 33 HG11 VAL 33 -10.041 -1.427 8.251
240 2HG1 VAL 33 HG12 VAL 33 -9.157 -0.910 6.817
241 3HG1 VAL 33 HG13 VAL 33 -10.795 -0.305 7.122
242 1HG2 VAL 33 HG21 VAL 33 -8.201 -0.709 9.708
243 2HG2 VAL 33 HG22 VAL 33 -7.584 0.927 9.689
244 3HG2 VAL 33 HG23 VAL 33 -7.249 -0.164 8.341
245 1HG HSL 34 HG1 HSL 34 -5.607 7.290 7.017
246 2HG HSL 34 HG2 HSL 34 -6.203 7.633 8.655
247 H HSL 34 HN HSL 34 -8.766 4.048 6.566
248 HA HSL 34 HA HSL 34 -8.562 5.382 8.820
249 1HB HSL 34 HB1 HSL 34 -6.114 5.117 7.189
250 2HB HSL 34 HB2 HSL 34 -6.297 5.410 8.922
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 1.527 5.469 -10.722
2 2H ALA 1 HT2 ALA 1 3.098 5.287 -11.306
3 3H ALA 1 HT3 ALA 1 2.857 5.859 -9.732
4 HA ALA 1 HA ALA 1 2.210 3.147 -10.776
5 1HB ALA 1 HB1 ALA 1 4.361 4.022 -8.827
6 2HB ALA 1 HB2 ALA 1 4.594 3.538 -10.504
7 3HB ALA 1 HB3 ALA 1 4.024 2.354 -9.333
8 H CYS 2 HN CYS 2 0.188 3.048 -10.053
9 HA CYS 2 HA CYS 2 -0.397 3.588 -7.216
10 1HB CYS 2 HB2 CYS 2 -1.982 3.171 -9.676
11 2HB CYS 2 HB1 CYS 2 -2.732 2.617 -8.202
12 H GLY 3 HN GLY 3 0.261 2.131 -5.899
13 1HA GLY 3 HA2 GLY 3 0.187 -0.680 -6.342
14 2HA GLY 3 HA1 GLY 3 0.372 0.139 -4.818
15 H ILE 4 HN ILE 4 -1.557 -1.874 -6.403
16 HA ILE 4 HA ILE 4 -4.153 -0.912 -5.498
17 HB ILE 4 HB ILE 4 -5.028 -3.008 -6.557
18 1HG1 ILE 4 HG12 ILE 4 -2.165 -3.418 -7.424
19 2HG1 ILE 4 HG11 ILE 4 -2.964 -4.426 -6.202
20 1HG2 ILE 4 HG21 ILE 4 -3.236 -1.357 -8.356
21 2HG2 ILE 4 HG22 ILE 4 -4.843 -0.890 -7.780
22 3HG2 ILE 4 HG23 ILE 4 -4.666 -2.293 -8.817
23 1HD1 ILE 4 HD11 ILE 4 -4.575 -5.076 -7.975
24 2HD1 ILE 4 HD12 ILE 4 -2.902 -5.545 -8.260
25 3HD1 ILE 4 HD13 ILE 4 -3.579 -4.173 -9.129
26 H LEU 5 HN LEU 5 -5.595 -2.820 -4.686
27 HA LEU 5 HA LEU 5 -4.809 -2.899 -1.933
28 1HB LEU 5 HB2 LEU 5 -7.023 -3.693 -1.495
29 2HB LEU 5 HB1 LEU 5 -7.073 -2.425 -2.696
30 HG LEU 5 HG LEU 5 -7.001 -4.654 -4.319
31 1HD1 LEU 5 HD11 LEU 5 -8.551 -5.371 -1.820
32 2HD1 LEU 5 HD12 LEU 5 -7.224 -6.270 -2.560
33 3HD1 LEU 5 HD13 LEU 5 -8.756 -6.143 -3.386
34 1HD2 LEU 5 HD21 LEU 5 -9.468 -3.299 -3.233
35 2HD2 LEU 5 HD22 LEU 5 -9.322 -4.232 -4.720
36 3HD2 LEU 5 HD23 LEU 5 -8.460 -2.706 -4.566
37 H HIS 6 HN HIS 6 -3.795 -4.820 -4.279
38 HA HIS 6 HA HIS 6 -2.812 -6.718 -2.344
39 1HB HIS 6 HB2 HIS 6 -3.455 -8.688 -3.796
40 2HB HIS 6 HB1 HIS 6 -4.796 -7.901 -2.982
41 HD1 HIS 6 HD1 HIS 6 -3.428 -8.584 -6.395
42 HD2 HIS 6 HD2 HIS 6 -6.652 -6.686 -4.640
43 HE1 HIS 6 HE1 HIS 6 -5.036 -8.103 -8.261
44 HE2 HIS 6 HE2 HIS 6 -6.985 -6.953 -7.166
45 H ASP 7 HN ASP 7 -1.644 -4.635 -3.492
46 HA ASP 7 HA ASP 7 0.167 -5.899 -5.497
47 1HB ASP 7 HB2 ASP 7 -1.031 -3.882 -6.243
48 2HB ASP 7 HB1 ASP 7 -0.277 -2.910 -5.030
49 H ASN 8 HN ASN 8 2.239 -5.891 -5.151
50 HA ASN 8 HA ASN 8 3.037 -6.017 -2.412
51 1HB ASN 8 HB2 ASN 8 4.614 -6.257 -4.996
52 2HB ASN 8 HB1 ASN 8 5.311 -6.556 -3.398
53 1HD2 ASN 8 HD21 ASN 8 4.871 -8.318 -5.775
54 2HD2 ASN 8 HD22 ASN 8 4.000 -9.660 -5.125
55 H CYS 9 HN CYS 9 3.937 -4.599 -1.178
56 HA CYS 9 HA CYS 9 5.529 -2.401 -2.231
57 1HB CYS 9 HB2 CYS 9 4.248 -0.662 -1.319
58 2HB CYS 9 HB1 CYS 9 3.094 -1.643 -2.177
59 H VAL 10 HN VAL 10 6.963 -1.646 -0.918
60 HA VAL 10 HA VAL 10 7.312 -2.844 1.752
61 HB VAL 10 HB VAL 10 9.300 -2.587 0.349
62 1HG1 VAL 10 HG11 VAL 10 10.195 -0.482 -0.289
63 2HG1 VAL 10 HG12 VAL 10 8.926 0.415 0.523
64 3HG1 VAL 10 HG13 VAL 10 8.559 -0.552 -0.912
65 1HG2 VAL 10 HG21 VAL 10 9.411 -2.389 2.870
66 2HG2 VAL 10 HG22 VAL 10 9.503 -0.631 2.650
67 3HG2 VAL 10 HG23 VAL 10 10.740 -1.674 1.969
68 H TYR 11 HN TYR 11 7.090 -1.757 3.587
69 HA TYR 11 HA TYR 11 5.023 0.220 3.556
70 1HB TYR 11 HB2 TYR 11 4.927 0.008 5.919
71 2HB TYR 11 HB1 TYR 11 5.158 -1.577 5.232
72 HD1 TYR 11 HD1 TYR 11 7.674 -2.416 5.091
73 HD2 TYR 11 HD2 TYR 11 6.302 0.660 7.730
74 HE1 TYR 11 HE1 TYR 11 9.604 -2.790 6.533
75 HE2 TYR 11 HE2 TYR 11 8.190 0.216 9.209
76 HH TYR 11 HH TYR 11 10.871 -1.064 8.324
77 H VAL 12 HN VAL 12 6.046 1.779 2.331
78 HA VAL 12 HA VAL 12 7.559 3.670 4.036
79 HB VAL 12 HB VAL 12 8.649 4.570 1.987
80 1HG1 VAL 12 HG11 VAL 12 9.288 1.680 2.617
81 2HG1 VAL 12 HG12 VAL 12 9.848 3.093 3.531
82 3HG1 VAL 12 HG13 VAL 12 10.351 2.866 1.860
83 1HG2 VAL 12 HG21 VAL 12 7.287 3.794 0.195
84 2HG2 VAL 12 HG22 VAL 12 7.414 2.121 0.712
85 3HG2 VAL 12 HG23 VAL 12 8.808 2.944 0.062
86 HA PRO 13 HA PRO 13 3.740 5.840 3.071
87 1HB PRO 13 HB2 PRO 13 4.022 7.665 5.072
88 2HB PRO 13 HB1 PRO 13 3.445 6.018 5.323
89 1HG PRO 13 HG2 PRO 13 6.188 7.129 5.783
90 2HG PRO 13 HG1 PRO 13 5.215 6.050 6.801
91 1HD PRO 13 HD2 PRO 13 7.198 5.185 5.210
92 2HD PRO 13 HD1 PRO 13 5.782 4.175 5.601
93 H ALA 14 HN ALA 14 6.928 7.162 3.699
94 HA ALA 14 HA ALA 14 6.672 9.787 2.978
95 1HB ALA 14 HB1 ALA 14 9.044 7.977 2.441
96 2HB ALA 14 HB2 ALA 14 8.671 8.799 3.952
97 3HB ALA 14 HB3 ALA 14 9.073 9.749 2.526
98 H GLN 15 HN GLN 15 7.650 7.096 0.928
99 HA GLN 15 HA GLN 15 6.459 8.526 -1.418
100 1HB GLN 15 HB2 GLN 15 9.049 8.066 -1.262
101 2HB GLN 15 HB1 GLN 15 8.641 6.416 -1.685
102 1HG GLN 15 HG2 GLN 15 7.988 8.913 -3.303
103 2HG GLN 15 HG1 GLN 15 9.301 7.784 -3.605
104 1HE2 GLN 15 HE21 GLN 15 5.872 8.330 -3.873
105 2HE2 GLN 15 HE22 GLN 15 5.561 6.942 -4.852
106 H ASN 16 HN ASN 16 4.689 7.488 -0.124
107 HA ASN 16 HA ASN 16 4.209 4.766 -0.089
108 1HB ASN 16 HB2 ASN 16 2.838 6.519 1.008
109 2HB ASN 16 HB1 ASN 16 2.102 6.898 -0.541
110 1HD2 ASN 16 HD21 ASN 16 2.327 4.627 2.081
111 2HD2 ASN 16 HD22 ASN 16 0.992 3.655 1.588
112 HA PRO 17 HA PRO 17 3.998 3.992 -4.490
113 1HB PRO 17 HB2 PRO 17 4.108 1.322 -4.322
114 2HB PRO 17 HB1 PRO 17 5.485 2.334 -3.873
115 1HG PRO 17 HG2 PRO 17 3.428 1.096 -2.070
116 2HG PRO 17 HG1 PRO 17 5.203 1.068 -1.937
117 1HD PRO 17 HD2 PRO 17 3.619 2.781 -0.566
118 2HD PRO 17 HD1 PRO 17 5.298 3.164 -1.046
119 H CYS 18 HN CYS 18 1.763 3.226 -2.045
120 HA CYS 18 HA CYS 18 -0.104 1.767 -3.658
121 1HB CYS 18 HB2 CYS 18 -0.511 3.000 -0.924
122 2HB CYS 18 HB1 CYS 18 -1.473 1.758 -1.699
123 H CYS 19 HN CYS 19 -2.028 2.430 -4.377
124 HA CYS 19 HA CYS 19 -2.130 5.105 -5.369
125 1HB CYS 19 HB2 CYS 19 -3.234 2.832 -6.212
126 2HB CYS 19 HB1 CYS 19 -4.602 3.384 -5.289
127 H ARG 20 HN ARG 20 -3.503 6.717 -4.881
128 HA ARG 20 HA ARG 20 -3.564 7.294 -2.138
129 1HB ARG 20 HB2 ARG 20 -3.490 8.911 -4.063
130 2HB ARG 20 HB1 ARG 20 -5.221 8.720 -4.279
131 1HG ARG 20 HG2 ARG 20 -3.908 9.640 -1.681
132 2HG ARG 20 HG1 ARG 20 -4.451 10.723 -2.959
133 1HD ARG 20 HD2 ARG 20 -6.704 10.115 -2.687
134 2HD ARG 20 HD1 ARG 20 -6.323 8.754 -1.643
135 HE ARG 20 HE ARG 20 -5.344 11.023 -0.374
136 1HH1 ARG 20 HH11 ARG 20 -8.458 9.768 -1.427
137 2HH1 ARG 20 HH12 ARG 20 -9.291 10.417 -0.071
138 1HH2 ARG 20 HH21 ARG 20 -6.473 11.865 1.403
139 2HH2 ARG 20 HH22 ARG 20 -8.181 11.612 1.542
140 H GLY 21 HN GLY 21 -4.717 6.434 -0.697
141 1HA GLY 21 HA2 GLY 21 -7.000 6.316 0.214
142 2HA GLY 21 HA1 GLY 21 -7.521 5.565 -1.286
143 H LEU 22 HN LEU 22 -4.607 4.330 -1.054
144 HA LEU 22 HA LEU 22 -5.464 2.037 0.632
145 1HB LEU 22 HB2 LEU 22 -3.536 2.075 -1.702
146 2HB LEU 22 HB1 LEU 22 -4.045 0.651 -0.788
147 HG LEU 22 HG LEU 22 -5.825 2.369 -2.547
148 1HD1 LEU 22 HD11 LEU 22 -4.524 -0.312 -2.955
149 2HD1 LEU 22 HD12 LEU 22 -4.419 1.140 -3.956
150 3HD1 LEU 22 HD13 LEU 22 -5.918 0.235 -3.881
151 1HD2 LEU 22 HD21 LEU 22 -7.116 1.432 -0.693
152 2HD2 LEU 22 HD22 LEU 22 -6.417 -0.170 -1.013
153 3HD2 LEU 22 HD23 LEU 22 -7.474 0.588 -2.190
154 H GLN 23 HN GLN 23 -4.111 1.114 1.969
155 HA GLN 23 HA GLN 23 -1.823 2.780 2.872
156 1HB GLN 23 HB2 GLN 23 -3.631 2.432 4.446
157 2HB GLN 23 HB1 GLN 23 -3.489 0.712 4.378
158 1HG GLN 23 HG2 GLN 23 -1.169 1.013 5.312
159 2HG GLN 23 HG1 GLN 23 -1.497 2.749 5.429
160 1HE2 GLN 23 HE21 GLN 23 -0.858 0.796 7.525
161 2HE2 GLN 23 HE22 GLN 23 -2.189 0.915 8.620
162 H CYS 24 HN CYS 24 0.121 1.955 3.080
163 HA CYS 24 HA CYS 24 0.591 -0.632 1.747
164 1HB CYS 24 HB2 CYS 24 1.876 1.328 0.992
165 2HB CYS 24 HB1 CYS 24 2.547 1.520 2.573
166 H ARG 25 HN ARG 25 0.367 -2.234 3.012
167 HA ARG 25 HA ARG 25 1.763 -2.279 5.631
168 1HB ARG 25 HB2 ARG 25 -0.119 -4.204 4.204
169 2HB ARG 25 HB1 ARG 25 0.709 -4.634 5.705
170 1HG ARG 25 HG2 ARG 25 -1.295 -2.381 5.321
171 2HG ARG 25 HG1 ARG 25 -1.565 -3.936 6.109
172 1HD ARG 25 HD2 ARG 25 0.283 -3.346 7.725
173 2HD ARG 25 HD1 ARG 25 0.245 -1.710 7.027
174 HE ARG 25 HE ARG 25 -2.369 -2.421 7.830
175 1HH1 ARG 25 HH11 ARG 25 0.765 -1.539 9.162
176 2HH1 ARG 25 HH12 ARG 25 0.092 -0.981 10.642
177 1HH2 ARG 25 HH21 ARG 25 -3.223 -1.659 9.794
178 2HH2 ARG 25 HH22 ARG 25 -2.163 -1.040 11.016
179 H TYR 26 HN TYR 26 3.522 -3.359 5.967
180 HA TYR 26 HA TYR 26 5.366 -3.619 3.938
181 1HB TYR 26 HB2 TYR 26 6.764 -4.962 5.512
182 2HB TYR 26 HB1 TYR 26 6.093 -3.497 6.172
183 HD1 TYR 26 HD1 TYR 26 4.341 -3.509 7.903
184 HD2 TYR 26 HD2 TYR 26 6.105 -7.130 6.449
185 HE1 TYR 26 HE1 TYR 26 3.488 -4.716 9.852
186 HE2 TYR 26 HE2 TYR 26 5.245 -8.322 8.402
187 HH TYR 26 HH TYR 26 4.571 -7.468 10.951
188 H GLY 27 HN GLY 27 4.879 -4.615 2.201
189 1HA GLY 27 HA2 GLY 27 5.322 -6.929 1.308
190 2HA GLY 27 HA1 GLY 27 3.964 -7.452 2.293
191 H LYS 28 HN LYS 28 2.235 -5.290 1.918
192 HA LYS 28 HA LYS 28 1.745 -4.991 -0.917
193 1HB LYS 28 HB2 LYS 28 -0.366 -6.258 -0.946
194 2HB LYS 28 HB1 LYS 28 1.023 -7.287 -0.598
195 1HG LYS 28 HG2 LYS 28 0.512 -7.281 1.771
196 2HG LYS 28 HG1 LYS 28 -0.869 -6.194 1.512
197 1HD LYS 28 HD2 LYS 28 -2.035 -7.850 0.227
198 2HD LYS 28 HD1 LYS 28 -0.637 -8.943 0.257
199 1HE LYS 28 HE2 LYS 28 -2.263 -8.053 2.651
200 2HE LYS 28 HE1 LYS 28 -2.299 -9.626 1.863
201 1HZ LYS 28 HZ1 LYS 28 -0.156 -8.453 3.518
202 2HZ LYS 28 HZ2 LYS 28 0.212 -9.689 2.410
203 3HZ LYS 28 HZ3 LYS 28 -0.913 -9.953 3.638
204 H CYS 29 HN CYS 29 0.050 -3.723 -1.441
205 HA CYS 29 HA CYS 29 -0.743 -1.752 0.524
206 1HB CYS 29 HB2 CYS 29 -1.532 -2.085 -2.363
207 2HB CYS 29 HB1 CYS 29 -1.924 -0.687 -1.374
208 H LEU 30 HN LEU 30 -2.623 -1.539 1.447
209 HA LEU 30 HA LEU 30 -4.849 -3.398 0.775
210 1HB LEU 30 HB2 LEU 30 -3.823 -2.619 3.532
211 2HB LEU 30 HB1 LEU 30 -5.317 -3.509 3.232
212 HG LEU 30 HG LEU 30 -2.530 -4.502 2.567
213 1HD1 LEU 30 HD11 LEU 30 -3.315 -4.268 5.050
214 2HD1 LEU 30 HD12 LEU 30 -2.559 -5.745 4.478
215 3HD1 LEU 30 HD13 LEU 30 -4.308 -5.667 4.664
216 1HD2 LEU 30 HD21 LEU 30 -3.742 -6.661 2.281
217 2HD2 LEU 30 HD22 LEU 30 -4.100 -5.488 1.038
218 3HD2 LEU 30 HD23 LEU 30 -5.265 -5.789 2.337
219 H VAL 31 HN VAL 31 -6.848 -2.701 1.530
220 HA VAL 31 HA VAL 31 -7.378 0.000 0.795
221 HB VAL 31 HB VAL 31 -9.745 -0.499 1.496
222 1HG1 VAL 31 HG11 VAL 31 -10.178 -2.003 -0.309
223 2HG1 VAL 31 HG12 VAL 31 -8.500 -2.525 -0.359
224 3HG1 VAL 31 HG13 VAL 31 -8.928 -0.865 -0.805
225 1HG2 VAL 31 HG21 VAL 31 -8.567 -3.232 2.119
226 2HG2 VAL 31 HG22 VAL 31 -10.271 -2.848 1.985
227 3HG2 VAL 31 HG23 VAL 31 -9.333 -2.136 3.273
228 H GLN 32 HN GLN 32 -6.964 1.675 1.894
229 HA GLN 32 HA GLN 32 -6.708 1.534 4.813
230 1HB GLN 32 HB2 GLN 32 -5.071 2.731 3.398
231 2HB GLN 32 HB1 GLN 32 -6.263 3.880 2.937
232 1HG GLN 32 HG2 GLN 32 -6.495 4.694 5.186
233 2HG GLN 32 HG1 GLN 32 -5.440 3.419 5.810
234 1HE2 GLN 32 HE21 GLN 32 -4.019 4.896 6.730
235 2HE2 GLN 32 HE22 GLN 32 -2.980 5.867 5.749
236 H VAL 33 HN VAL 33 -9.033 0.918 4.650
237 HA VAL 33 HA VAL 33 -10.616 3.315 5.331
238 HB VAL 33 HB VAL 33 -12.651 2.242 4.357
239 1HG1 VAL 33 HG11 VAL 33 -12.260 2.868 2.085
240 2HG1 VAL 33 HG12 VAL 33 -10.514 2.774 2.287
241 3HG1 VAL 33 HG13 VAL 33 -11.446 4.017 3.141
242 1HG2 VAL 33 HG21 VAL 33 -12.096 -0.062 4.207
243 2HG2 VAL 33 HG22 VAL 33 -10.642 0.263 3.259
244 3HG2 VAL 33 HG23 VAL 33 -12.235 0.513 2.554
245 1HG HSL 34 HG1 HSL 34 -13.959 3.236 10.534
246 2HG HSL 34 HG2 HSL 34 -12.931 2.054 11.371
247 H HSL 34 HN HSL 34 -12.284 2.930 6.740
248 HA HSL 34 HA HSL 34 -11.539 0.658 8.768
249 1HB HSL 34 HB1 HSL 34 -11.343 2.617 9.892
250 2HB HSL 34 HB2 HSL 34 -12.502 3.449 8.849
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 1.482 2.728 -13.542
2 2H ALA 1 HT2 ALA 1 2.709 2.444 -12.413
3 3H ALA 1 HT3 ALA 1 1.672 3.784 -12.238
4 HA ALA 1 HA ALA 1 -0.225 2.318 -11.949
5 1HB ALA 1 HB1 ALA 1 1.815 0.082 -12.041
6 2HB ALA 1 HB2 ALA 1 0.613 0.464 -13.268
7 3HB ALA 1 HB3 ALA 1 0.085 -0.095 -11.685
8 H CYS 2 HN CYS 2 -0.701 2.944 -10.060
9 HA CYS 2 HA CYS 2 1.203 2.994 -7.850
10 1HB CYS 2 HB2 CYS 2 -0.763 3.934 -6.602
11 2HB CYS 2 HB1 CYS 2 -0.263 4.845 -7.991
12 H GLY 3 HN GLY 3 0.868 1.996 -5.897
13 1HA GLY 3 HA2 GLY 3 0.382 -0.726 -5.958
14 2HA GLY 3 HA1 GLY 3 0.547 0.245 -4.511
15 H ILE 4 HN ILE 4 -1.383 -1.836 -5.886
16 HA ILE 4 HA ILE 4 -3.937 -0.664 -4.971
17 HB ILE 4 HB ILE 4 -5.003 -2.498 -6.310
18 1HG1 ILE 4 HG12 ILE 4 -2.189 -2.967 -7.306
19 2HG1 ILE 4 HG11 ILE 4 -3.077 -4.112 -6.295
20 1HG2 ILE 4 HG21 ILE 4 -4.692 -0.225 -7.194
21 2HG2 ILE 4 HG22 ILE 4 -4.695 -1.461 -8.437
22 3HG2 ILE 4 HG23 ILE 4 -3.165 -0.727 -7.934
23 1HD1 ILE 4 HD11 ILE 4 -3.631 -3.269 -9.125
24 2HD1 ILE 4 HD12 ILE 4 -4.743 -4.254 -8.159
25 3HD1 ILE 4 HD13 ILE 4 -3.123 -4.840 -8.519
26 H LEU 5 HN LEU 5 -5.451 -2.447 -4.381
27 HA LEU 5 HA LEU 5 -4.794 -3.075 -1.753
28 1HB LEU 5 HB2 LEU 5 -7.013 -4.137 -1.638
29 2HB LEU 5 HB1 LEU 5 -7.013 -2.545 -2.356
30 HG LEU 5 HG LEU 5 -6.852 -4.757 -4.327
31 1HD1 LEU 5 HD11 LEU 5 -8.401 -5.731 -2.689
32 2HD1 LEU 5 HD12 LEU 5 -9.181 -5.291 -4.202
33 3HD1 LEU 5 HD13 LEU 5 -9.393 -4.265 -2.784
34 1HD2 LEU 5 HD21 LEU 5 -8.507 -2.245 -4.118
35 2HD2 LEU 5 HD22 LEU 5 -8.464 -3.354 -5.484
36 3HD2 LEU 5 HD23 LEU 5 -7.029 -2.447 -5.065
37 H HIS 6 HN HIS 6 -3.838 -4.795 -4.413
38 HA HIS 6 HA HIS 6 -3.006 -6.994 -2.682
39 1HB HIS 6 HB2 HIS 6 -3.697 -8.683 -4.409
40 2HB HIS 6 HB1 HIS 6 -5.033 -7.890 -3.596
41 HD1 HIS 6 HD1 HIS 6 -3.397 -8.172 -6.969
42 HD2 HIS 6 HD2 HIS 6 -6.727 -6.438 -5.213
43 HE1 HIS 6 HE1 HIS 6 -4.836 -7.382 -8.868
44 HE2 HIS 6 HE2 HIS 6 -6.860 -6.362 -7.777
45 H ASP 7 HN ASP 7 -1.689 -4.783 -3.627
46 HA ASP 7 HA ASP 7 0.148 -5.981 -5.648
47 1HB ASP 7 HB2 ASP 7 -0.882 -3.892 -6.338
48 2HB ASP 7 HB1 ASP 7 -0.259 -3.041 -4.946
49 H ASN 8 HN ASN 8 2.139 -6.276 -5.177
50 HA ASN 8 HA ASN 8 3.099 -6.458 -2.556
51 1HB ASN 8 HB2 ASN 8 4.107 -7.647 -4.447
52 2HB ASN 8 HB1 ASN 8 4.689 -6.142 -5.150
53 1HD2 ASN 8 HD21 ASN 8 6.422 -5.018 -4.073
54 2HD2 ASN 8 HD22 ASN 8 7.417 -5.867 -2.948
55 H CYS 9 HN CYS 9 4.049 -5.104 -1.219
56 HA CYS 9 HA CYS 9 5.105 -2.549 -2.080
57 1HB CYS 9 HB2 CYS 9 2.653 -2.157 -2.021
58 2HB CYS 9 HB1 CYS 9 2.618 -2.603 -0.326
59 H VAL 10 HN VAL 10 6.393 -1.645 -0.737
60 HA VAL 10 HA VAL 10 6.964 -3.010 1.856
61 HB VAL 10 HB VAL 10 9.156 -1.838 1.758
62 1HG1 VAL 10 HG11 VAL 10 8.946 -4.137 0.929
63 2HG1 VAL 10 HG12 VAL 10 10.149 -3.210 0.040
64 3HG1 VAL 10 HG13 VAL 10 8.576 -3.519 -0.692
65 1HG2 VAL 10 HG21 VAL 10 8.552 0.103 0.361
66 2HG2 VAL 10 HG22 VAL 10 8.263 -0.971 -1.015
67 3HG2 VAL 10 HG23 VAL 10 9.873 -0.810 -0.342
68 H TYR 11 HN TYR 11 7.234 -1.814 3.674
69 HA TYR 11 HA TYR 11 5.159 0.173 3.899
70 1HB TYR 11 HB2 TYR 11 6.048 -1.622 5.592
71 2HB TYR 11 HB1 TYR 11 7.101 -0.357 6.158
72 HD1 TYR 11 HD1 TYR 11 6.045 1.800 6.979
73 HD2 TYR 11 HD2 TYR 11 3.763 -1.689 6.240
74 HE1 TYR 11 HE1 TYR 11 4.210 2.690 8.343
75 HE2 TYR 11 HE2 TYR 11 1.898 -0.796 7.512
76 HH TYR 11 HH TYR 11 1.482 2.227 8.331
77 H VAL 12 HN VAL 12 5.836 1.752 2.542
78 HA VAL 12 HA VAL 12 7.750 3.657 3.787
79 HB VAL 12 HB VAL 12 8.936 2.715 1.922
80 1HG1 VAL 12 HG11 VAL 12 6.793 3.615 0.015
81 2HG1 VAL 12 HG12 VAL 12 6.841 1.982 0.645
82 3HG1 VAL 12 HG13 VAL 12 8.186 2.599 -0.280
83 1HG2 VAL 12 HG21 VAL 12 7.960 5.395 0.959
84 2HG2 VAL 12 HG22 VAL 12 9.556 4.677 0.845
85 3HG2 VAL 12 HG23 VAL 12 8.968 5.232 2.405
86 HA PRO 13 HA PRO 13 3.514 5.386 3.496
87 1HB PRO 13 HB2 PRO 13 4.563 6.977 5.779
88 2HB PRO 13 HB1 PRO 13 3.104 5.992 5.632
89 1HG PRO 13 HG2 PRO 13 5.204 5.221 7.093
90 2HG PRO 13 HG1 PRO 13 4.194 4.050 6.222
91 1HD PRO 13 HD2 PRO 13 6.897 5.148 5.512
92 2HD PRO 13 HD1 PRO 13 6.235 3.509 5.392
93 H ALA 14 HN ALA 14 6.551 7.061 4.132
94 HA ALA 14 HA ALA 14 5.803 9.685 3.613
95 1HB ALA 14 HB1 ALA 14 7.910 9.024 4.629
96 2HB ALA 14 HB2 ALA 14 8.183 10.124 3.283
97 3HB ALA 14 HB3 ALA 14 8.492 8.386 3.095
98 H GLN 15 HN GLN 15 6.912 7.151 1.490
99 HA GLN 15 HA GLN 15 6.034 8.757 -0.872
100 1HB GLN 15 HB2 GLN 15 8.451 6.938 -0.552
101 2HB GLN 15 HB1 GLN 15 7.889 7.594 -2.104
102 1HG GLN 15 HG2 GLN 15 8.364 9.831 -1.430
103 2HG GLN 15 HG1 GLN 15 8.708 9.340 0.230
104 1HE2 GLN 15 HE21 GLN 15 10.380 10.788 -1.692
105 2HE2 GLN 15 HE22 GLN 15 11.813 9.831 -1.818
106 H ASN 16 HN ASN 16 4.295 7.359 0.424
107 HA ASN 16 HA ASN 16 3.919 4.682 -0.056
108 1HB ASN 16 HB2 ASN 16 2.468 6.025 1.360
109 2HB ASN 16 HB1 ASN 16 1.812 6.870 -0.036
110 1HD2 ASN 16 HD21 ASN 16 -0.301 6.206 0.432
111 2HD2 ASN 16 HD22 ASN 16 -0.798 4.567 0.235
112 HA PRO 17 HA PRO 17 3.883 4.816 -4.548
113 1HB PRO 17 HB2 PRO 17 4.148 2.166 -4.910
114 2HB PRO 17 HB1 PRO 17 5.459 3.145 -4.243
115 1HG PRO 17 HG2 PRO 17 3.444 1.483 -2.755
116 2HG PRO 17 HG1 PRO 17 5.214 1.485 -2.612
117 1HD PRO 17 HD2 PRO 17 3.641 2.837 -0.923
118 2HD PRO 17 HD1 PRO 17 5.255 3.434 -1.384
119 H CYS 18 HN CYS 18 1.629 3.677 -2.372
120 HA CYS 18 HA CYS 18 -0.104 2.272 -4.102
121 1HB CYS 18 HB2 CYS 18 -0.401 3.278 -1.312
122 2HB CYS 18 HB1 CYS 18 -1.622 2.401 -2.135
123 H CYS 19 HN CYS 19 -2.142 2.770 -4.647
124 HA CYS 19 HA CYS 19 -2.602 5.381 -5.700
125 1HB CYS 19 HB2 CYS 19 -4.700 3.258 -5.118
126 2HB CYS 19 HB1 CYS 19 -4.762 4.545 -6.325
127 H ARG 20 HN ARG 20 -3.733 7.020 -4.925
128 HA ARG 20 HA ARG 20 -3.612 7.499 -2.138
129 1HB ARG 20 HB2 ARG 20 -5.212 8.942 -4.281
130 2HB ARG 20 HB1 ARG 20 -4.908 9.561 -2.640
131 1HG ARG 20 HG2 ARG 20 -2.528 9.640 -3.062
132 2HG ARG 20 HG1 ARG 20 -2.741 8.905 -4.657
133 1HD ARG 20 HD2 ARG 20 -4.125 10.863 -5.317
134 2HD ARG 20 HD1 ARG 20 -3.746 11.601 -3.740
135 HE ARG 20 HE ARG 20 -1.350 10.842 -5.093
136 1HH1 ARG 20 HH11 ARG 20 -3.899 13.275 -5.196
137 2HH1 ARG 20 HH12 ARG 20 -2.870 14.454 -5.912
138 1HH2 ARG 20 HH21 ARG 20 -0.037 12.418 -6.032
139 2HH2 ARG 20 HH22 ARG 20 -0.683 13.984 -6.391
140 H GLY 21 HN GLY 21 -4.663 6.536 -0.691
141 1HA GLY 21 HA2 GLY 21 -6.927 6.369 0.327
142 2HA GLY 21 HA1 GLY 21 -7.479 5.646 -1.177
143 H LEU 22 HN LEU 22 -4.738 4.362 -1.357
144 HA LEU 22 HA LEU 22 -5.419 1.962 0.204
145 1HB LEU 22 HB2 LEU 22 -3.573 2.483 -2.138
146 2HB LEU 22 HB1 LEU 22 -3.543 0.997 -1.238
147 HG LEU 22 HG LEU 22 -4.778 0.756 -3.300
148 1HD1 LEU 22 HD11 LEU 22 -5.370 -0.574 -1.258
149 2HD1 LEU 22 HD12 LEU 22 -6.664 -0.363 -2.426
150 3HD1 LEU 22 HD13 LEU 22 -6.669 0.591 -0.954
151 1HD2 LEU 22 HD21 LEU 22 -6.881 2.608 -2.191
152 2HD2 LEU 22 HD22 LEU 22 -6.749 1.907 -3.794
153 3HD2 LEU 22 HD23 LEU 22 -5.636 3.167 -3.306
154 H GLN 23 HN GLN 23 -4.303 1.250 1.785
155 HA GLN 23 HA GLN 23 -1.974 2.844 2.695
156 1HB GLN 23 HB2 GLN 23 -3.919 2.768 4.179
157 2HB GLN 23 HB1 GLN 23 -3.823 1.006 4.266
158 1HG GLN 23 HG2 GLN 23 -1.627 1.160 5.354
159 2HG GLN 23 HG1 GLN 23 -1.638 2.920 5.168
160 1HE2 GLN 23 HE21 GLN 23 -2.969 0.182 6.895
161 2HE2 GLN 23 HE22 GLN 23 -3.670 1.128 8.159
162 H CYS 24 HN CYS 24 -0.133 2.044 2.429
163 HA CYS 24 HA CYS 24 0.271 -0.691 1.581
164 1HB CYS 24 HB2 CYS 24 1.542 1.040 0.525
165 2HB CYS 24 HB1 CYS 24 2.173 1.603 2.036
166 H ARG 25 HN ARG 25 0.823 -2.324 2.719
167 HA ARG 25 HA ARG 25 2.076 -1.901 5.371
168 1HB ARG 25 HB2 ARG 25 -0.193 -2.820 5.559
169 2HB ARG 25 HB1 ARG 25 0.262 -4.179 4.524
170 1HG ARG 25 HG2 ARG 25 2.042 -4.741 6.294
171 2HG ARG 25 HG1 ARG 25 1.283 -3.501 7.298
172 1HD ARG 25 HD2 ARG 25 -0.124 -5.931 6.170
173 2HD ARG 25 HD1 ARG 25 0.611 -5.799 7.761
174 HE ARG 25 HE ARG 25 -1.522 -3.893 6.978
175 1HH1 ARG 25 HH11 ARG 25 -0.421 -6.518 9.056
176 2HH1 ARG 25 HH12 ARG 25 -1.806 -6.424 10.057
177 1HH2 ARG 25 HH21 ARG 25 -3.347 -3.826 8.325
178 2HH2 ARG 25 HH22 ARG 25 -3.467 -4.917 9.665
179 H TYR 26 HN TYR 26 3.760 -3.149 5.859
180 HA TYR 26 HA TYR 26 5.619 -3.745 3.908
181 1HB TYR 26 HB2 TYR 26 6.744 -5.154 5.775
182 2HB TYR 26 HB1 TYR 26 6.511 -3.446 6.022
183 HD1 TYR 26 HD1 TYR 26 5.097 -2.615 7.798
184 HD2 TYR 26 HD2 TYR 26 5.282 -6.798 6.966
185 HE1 TYR 26 HE1 TYR 26 3.917 -3.080 9.879
186 HE2 TYR 26 HE2 TYR 26 4.087 -7.256 9.049
187 HH TYR 26 HH TYR 26 3.908 -5.804 11.414
188 H GLY 27 HN GLY 27 5.143 -4.957 2.309
189 1HA GLY 27 HA2 GLY 27 5.364 -7.393 1.734
190 2HA GLY 27 HA1 GLY 27 3.945 -7.658 2.740
191 H LYS 28 HN LYS 28 2.233 -5.762 2.162
192 HA LYS 28 HA LYS 28 1.990 -5.329 -0.703
193 1HB LYS 28 HB2 LYS 28 -0.047 -6.590 -1.030
194 2HB LYS 28 HB1 LYS 28 1.246 -7.660 -0.497
195 1HG LYS 28 HG2 LYS 28 0.346 -7.753 1.747
196 2HG LYS 28 HG1 LYS 28 -0.924 -6.579 1.336
197 1HD LYS 28 HD2 LYS 28 -1.813 -8.162 -0.356
198 2HD LYS 28 HD1 LYS 28 -0.586 -9.344 0.131
199 1HE LYS 28 HE2 LYS 28 -1.543 -9.484 2.344
200 2HE LYS 28 HE1 LYS 28 -2.689 -8.193 1.971
201 1HZ LYS 28 HZ1 LYS 28 -3.705 -10.339 1.807
202 2HZ LYS 28 HZ2 LYS 28 -2.594 -10.852 0.645
203 3HZ LYS 28 HZ3 LYS 28 -3.695 -9.603 0.287
204 H CYS 29 HN CYS 29 0.078 -4.255 -1.276
205 HA CYS 29 HA CYS 29 -0.459 -2.151 0.675
206 1HB CYS 29 HB2 CYS 29 0.225 -1.768 -1.722
207 2HB CYS 29 HB1 CYS 29 -1.352 -2.299 -2.196
208 H LEU 30 HN LEU 30 -2.330 -1.713 1.530
209 HA LEU 30 HA LEU 30 -4.642 -3.527 0.992
210 1HB LEU 30 HB2 LEU 30 -3.754 -2.419 3.680
211 2HB LEU 30 HB1 LEU 30 -5.117 -3.502 3.379
212 HG LEU 30 HG LEU 30 -2.187 -4.197 3.037
213 1HD1 LEU 30 HD11 LEU 30 -2.493 -5.593 4.957
214 2HD1 LEU 30 HD12 LEU 30 -4.190 -5.138 5.100
215 3HD1 LEU 30 HD13 LEU 30 -2.917 -3.940 5.384
216 1HD2 LEU 30 HD21 LEU 30 -3.354 -5.510 1.451
217 2HD2 LEU 30 HD22 LEU 30 -4.721 -5.774 2.535
218 3HD2 LEU 30 HD23 LEU 30 -3.168 -6.520 2.864
219 H VAL 31 HN VAL 31 -6.640 -2.697 1.813
220 HA VAL 31 HA VAL 31 -6.982 0.115 1.012
221 HB VAL 31 HB VAL 31 -9.100 -1.919 1.818
222 1HG1 VAL 31 HG11 VAL 31 -9.234 0.828 0.541
223 2HG1 VAL 31 HG12 VAL 31 -10.011 0.270 2.033
224 3HG1 VAL 31 HG13 VAL 31 -10.549 -0.340 0.482
225 1HG2 VAL 31 HG21 VAL 31 -8.196 -1.165 -0.967
226 2HG2 VAL 31 HG22 VAL 31 -9.522 -2.231 -0.531
227 3HG2 VAL 31 HG23 VAL 31 -7.875 -2.694 -0.141
228 H GLN 32 HN GLN 32 -7.433 1.718 2.337
229 HA GLN 32 HA GLN 32 -7.204 1.298 5.201
230 1HB GLN 32 HB2 GLN 32 -6.319 3.315 4.153
231 2HB GLN 32 HB1 GLN 32 -7.932 3.800 3.620
232 1HG GLN 32 HG2 GLN 32 -8.647 4.059 5.957
233 2HG GLN 32 HG1 GLN 32 -7.085 3.459 6.521
234 1HE2 GLN 32 HE21 GLN 32 -8.509 6.004 6.998
235 2HE2 GLN 32 HE22 GLN 32 -7.386 7.216 6.495
236 H VAL 33 HN VAL 33 -8.898 -0.286 5.079
237 HA VAL 33 HA VAL 33 -11.608 0.900 5.326
238 HB VAL 33 HB VAL 33 -11.545 -0.767 3.565
239 1HG1 VAL 33 HG11 VAL 33 -9.584 -2.080 4.429
240 2HG1 VAL 33 HG12 VAL 33 -10.943 -3.029 3.885
241 3HG1 VAL 33 HG13 VAL 33 -10.669 -2.828 5.603
242 1HG2 VAL 33 HG21 VAL 33 -12.926 -2.011 5.954
243 2HG2 VAL 33 HG22 VAL 33 -13.365 -2.088 4.256
244 3HG2 VAL 33 HG23 VAL 33 -13.533 -0.568 5.122
245 1HG HSL 34 HG1 HSL 34 -13.241 2.377 11.333
246 2HG HSL 34 HG2 HSL 34 -11.918 1.392 11.993
247 H HSL 34 HN HSL 34 -12.173 1.206 7.269
248 HA HSL 34 HA HSL 34 -11.020 -0.150 9.258
249 1HB HSL 34 HB1 HSL 34 -10.793 1.930 10.130
250 2HB HSL 34 HB2 HSL 34 -12.250 2.534 9.333
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 1.121 4.879 -13.153
2 2H ALA 1 HT2 ALA 1 2.013 5.406 -11.816
3 3H ALA 1 HT3 ALA 1 0.311 5.357 -11.751
4 HA ALA 1 HA ALA 1 0.335 2.955 -11.994
5 1HB ALA 1 HB1 ALA 1 3.351 3.238 -11.862
6 2HB ALA 1 HB2 ALA 1 2.399 2.811 -13.280
7 3HB ALA 1 HB3 ALA 1 2.444 1.713 -11.906
8 H CYS 2 HN CYS 2 -0.762 3.673 -10.184
9 HA CYS 2 HA CYS 2 0.738 3.882 -7.677
10 1HB CYS 2 HB2 CYS 2 -1.408 4.448 -6.684
11 2HB CYS 2 HB1 CYS 2 -1.030 5.473 -8.012
12 H GLY 3 HN GLY 3 0.724 2.431 -6.120
13 1HA GLY 3 HA2 GLY 3 0.375 -0.257 -6.582
14 2HA GLY 3 HA1 GLY 3 0.526 0.491 -5.000
15 H ILE 4 HN ILE 4 -1.220 -1.630 -6.297
16 HA ILE 4 HA ILE 4 -3.912 -0.606 -5.672
17 HB ILE 4 HB ILE 4 -4.710 -2.723 -6.756
18 1HG1 ILE 4 HG12 ILE 4 -1.795 -3.038 -7.542
19 2HG1 ILE 4 HG11 ILE 4 -2.629 -4.078 -6.379
20 1HG2 ILE 4 HG21 ILE 4 -2.948 -0.986 -8.498
21 2HG2 ILE 4 HG22 ILE 4 -4.581 -0.586 -7.948
22 3HG2 ILE 4 HG23 ILE 4 -4.334 -1.966 -9.001
23 1HD1 ILE 4 HD11 ILE 4 -4.164 -4.764 -8.183
24 2HD1 ILE 4 HD12 ILE 4 -2.471 -5.165 -8.453
25 3HD1 ILE 4 HD13 ILE 4 -3.191 -3.811 -9.315
26 H LEU 5 HN LEU 5 -5.382 -2.084 -4.799
27 HA LEU 5 HA LEU 5 -4.939 -2.435 -2.128
28 1HB LEU 5 HB2 LEU 5 -7.106 -3.499 -2.007
29 2HB LEU 5 HB1 LEU 5 -7.129 -2.163 -3.137
30 HG LEU 5 HG LEU 5 -6.831 -5.011 -4.101
31 1HD1 LEU 5 HD11 LEU 5 -8.873 -4.884 -2.793
32 2HD1 LEU 5 HD12 LEU 5 -9.171 -5.075 -4.516
33 3HD1 LEU 5 HD13 LEU 5 -9.395 -3.496 -3.764
34 1HD2 LEU 5 HD21 LEU 5 -7.469 -2.370 -5.409
35 2HD2 LEU 5 HD22 LEU 5 -7.944 -3.909 -6.124
36 3HD2 LEU 5 HD23 LEU 5 -6.254 -3.580 -5.836
37 H HIS 6 HN HIS 6 -3.970 -4.590 -4.567
38 HA HIS 6 HA HIS 6 -2.934 -6.395 -2.485
39 1HB HIS 6 HB2 HIS 6 -3.561 -8.373 -3.880
40 2HB HIS 6 HB1 HIS 6 -4.943 -7.503 -3.236
41 HD1 HIS 6 HD1 HIS 6 -3.103 -8.050 -6.492
42 HD2 HIS 6 HD2 HIS 6 -6.746 -6.658 -5.091
43 HE1 HIS 6 HE1 HIS 6 -4.504 -7.641 -8.531
44 HE2 HIS 6 HE2 HIS 6 -6.650 -6.652 -7.665
45 H ASP 7 HN ASP 7 -1.527 -4.494 -3.394
46 HA ASP 7 HA ASP 7 0.244 -5.722 -5.466
47 1HB ASP 7 HB2 ASP 7 -0.831 -3.365 -5.718
48 2HB ASP 7 HB1 ASP 7 0.371 -2.813 -4.619
49 H ASN 8 HN ASN 8 2.012 -6.513 -4.788
50 HA ASN 8 HA ASN 8 2.745 -6.684 -2.080
51 1HB ASN 8 HB2 ASN 8 3.418 -8.332 -3.742
52 2HB ASN 8 HB1 ASN 8 4.430 -7.162 -4.579
53 1HD2 ASN 8 HD21 ASN 8 6.425 -6.538 -3.619
54 2HD2 ASN 8 HD22 ASN 8 7.103 -7.467 -2.331
55 H CYS 9 HN CYS 9 3.843 -5.380 -0.807
56 HA CYS 9 HA CYS 9 5.638 -3.336 -1.713
57 1HB CYS 9 HB2 CYS 9 3.381 -2.431 -2.379
58 2HB CYS 9 HB1 CYS 9 2.913 -2.431 -0.687
59 H VAL 10 HN VAL 10 6.605 -2.216 -0.109
60 HA VAL 10 HA VAL 10 6.422 -3.461 2.571
61 HB VAL 10 HB VAL 10 8.604 -2.425 3.016
62 1HG1 VAL 10 HG11 VAL 10 8.521 -4.668 2.044
63 2HG1 VAL 10 HG12 VAL 10 9.935 -3.762 1.522
64 3HG1 VAL 10 HG13 VAL 10 8.577 -3.966 0.417
65 1HG2 VAL 10 HG21 VAL 10 9.841 -1.312 1.253
66 2HG2 VAL 10 HG22 VAL 10 8.393 -0.401 1.604
67 3HG2 VAL 10 HG23 VAL 10 8.473 -1.411 0.160
68 H TYR 11 HN TYR 11 7.048 -1.895 4.346
69 HA TYR 11 HA TYR 11 4.793 -0.054 4.452
70 1HB TYR 11 HB2 TYR 11 5.411 -1.639 6.268
71 2HB TYR 11 HB1 TYR 11 6.857 -0.716 6.593
72 HD1 TYR 11 HD1 TYR 11 6.756 1.245 7.958
73 HD2 TYR 11 HD2 TYR 11 3.125 -0.503 6.535
74 HE1 TYR 11 HE1 TYR 11 5.462 2.709 9.431
75 HE2 TYR 11 HE2 TYR 11 1.847 0.895 8.072
76 HH TYR 11 HH TYR 11 2.437 2.246 10.374
77 H VAL 12 HN VAL 12 5.693 1.287 2.777
78 HA VAL 12 HA VAL 12 7.513 3.353 3.920
79 HB VAL 12 HB VAL 12 8.212 3.864 1.564
80 1HG1 VAL 12 HG11 VAL 12 8.966 1.191 2.763
81 2HG1 VAL 12 HG12 VAL 12 9.734 2.758 3.042
82 3HG1 VAL 12 HG13 VAL 12 9.831 2.001 1.458
83 1HG2 VAL 12 HG21 VAL 12 6.461 2.711 0.297
84 2HG2 VAL 12 HG22 VAL 12 6.940 1.166 1.002
85 3HG2 VAL 12 HG23 VAL 12 8.031 2.027 -0.067
86 HA PRO 13 HA PRO 13 3.478 5.356 3.174
87 1HB PRO 13 HB2 PRO 13 4.226 6.921 5.547
88 2HB PRO 13 HB1 PRO 13 2.846 5.859 5.268
89 1HG PRO 13 HG2 PRO 13 4.859 5.254 6.965
90 2HG PRO 13 HG1 PRO 13 3.921 4.020 6.103
91 1HD PRO 13 HD2 PRO 13 6.653 5.114 5.490
92 2HD PRO 13 HD1 PRO 13 6.021 3.472 5.475
93 H ALA 14 HN ALA 14 6.628 6.622 4.023
94 HA ALA 14 HA ALA 14 6.350 9.321 3.531
95 1HB ALA 14 HB1 ALA 14 8.290 8.295 4.582
96 2HB ALA 14 HB2 ALA 14 8.777 9.360 3.268
97 3HB ALA 14 HB3 ALA 14 8.797 7.598 3.047
98 H GLN 15 HN GLN 15 6.833 6.653 1.354
99 HA GLN 15 HA GLN 15 6.012 8.406 -0.874
100 1HB GLN 15 HB2 GLN 15 8.458 8.152 -1.027
101 2HB GLN 15 HB1 GLN 15 8.326 6.409 -0.875
102 1HG GLN 15 HG2 GLN 15 8.752 7.189 -3.164
103 2HG GLN 15 HG1 GLN 15 7.300 6.225 -3.060
104 1HE2 GLN 15 HE21 GLN 15 6.386 7.085 -4.931
105 2HE2 GLN 15 HE22 GLN 15 5.854 8.727 -5.014
106 H ASN 16 HN ASN 16 4.189 7.241 0.332
107 HA ASN 16 HA ASN 16 3.613 4.544 -0.244
108 1HB ASN 16 HB2 ASN 16 2.341 5.866 1.380
109 2HB ASN 16 HB1 ASN 16 1.643 6.845 0.096
110 1HD2 ASN 16 HD21 ASN 16 -0.489 6.261 0.438
111 2HD2 ASN 16 HD22 ASN 16 -1.054 4.659 0.178
112 HA PRO 17 HA PRO 17 3.386 5.306 -4.682
113 1HB PRO 17 HB2 PRO 17 3.691 2.753 -5.434
114 2HB PRO 17 HB1 PRO 17 5.004 3.641 -4.655
115 1HG PRO 17 HG2 PRO 17 3.062 1.717 -3.386
116 2HG PRO 17 HG1 PRO 17 4.833 1.762 -3.286
117 1HD PRO 17 HD2 PRO 17 3.231 2.841 -1.401
118 2HD PRO 17 HD1 PRO 17 4.849 3.450 -1.755
119 H CYS 18 HN CYS 18 1.232 3.815 -2.596
120 HA CYS 18 HA CYS 18 -0.457 2.527 -4.459
121 1HB CYS 18 HB2 CYS 18 -0.756 3.157 -1.540
122 2HB CYS 18 HB1 CYS 18 -1.907 2.237 -2.481
123 H CYS 19 HN CYS 19 -2.469 2.972 -4.994
124 HA CYS 19 HA CYS 19 -3.135 5.641 -5.674
125 1HB CYS 19 HB2 CYS 19 -5.201 3.453 -5.268
126 2HB CYS 19 HB1 CYS 19 -5.185 4.773 -6.443
127 H ARG 20 HN ARG 20 -4.299 7.137 -4.675
128 HA ARG 20 HA ARG 20 -4.144 7.205 -1.841
129 1HB ARG 20 HB2 ARG 20 -5.381 8.969 -3.937
130 2HB ARG 20 HB1 ARG 20 -5.772 9.272 -2.248
131 1HG ARG 20 HG2 ARG 20 -3.889 10.620 -3.107
132 2HG ARG 20 HG1 ARG 20 -3.496 9.665 -1.678
133 1HD ARG 20 HD2 ARG 20 -2.457 7.963 -3.178
134 2HD ARG 20 HD1 ARG 20 -2.781 9.017 -4.553
135 HE ARG 20 HE ARG 20 -1.345 10.698 -3.283
136 1HH1 ARG 20 HH11 ARG 20 -0.821 7.202 -3.175
137 2HH1 ARG 20 HH12 ARG 20 0.832 7.382 -2.815
138 1HH2 ARG 20 HH21 ARG 20 0.861 10.856 -2.780
139 2HH2 ARG 20 HH22 ARG 20 1.810 9.421 -2.583
140 H GLY 21 HN GLY 21 -5.243 6.317 -0.429
141 1HA GLY 21 HA2 GLY 21 -7.478 5.768 0.456
142 2HA GLY 21 HA1 GLY 21 -7.901 5.133 -1.131
143 H LEU 22 HN LEU 22 -4.957 4.282 -1.245
144 HA LEU 22 HA LEU 22 -5.158 1.801 0.386
145 1HB LEU 22 HB2 LEU 22 -3.740 2.163 -2.268
146 2HB LEU 22 HB1 LEU 22 -3.996 0.661 -1.392
147 HG LEU 22 HG LEU 22 -6.198 2.320 -2.635
148 1HD1 LEU 22 HD11 LEU 22 -4.879 -0.168 -3.667
149 2HD1 LEU 22 HD12 LEU 22 -4.672 1.436 -4.354
150 3HD1 LEU 22 HD13 LEU 22 -6.248 0.652 -4.380
151 1HD2 LEU 22 HD21 LEU 22 -7.061 0.985 -0.840
152 2HD2 LEU 22 HD22 LEU 22 -6.140 -0.435 -1.366
153 3HD2 LEU 22 HD23 LEU 22 -7.460 0.187 -2.352
154 H GLN 23 HN GLN 23 -3.322 1.087 1.327
155 HA GLN 23 HA GLN 23 -0.951 2.851 1.256
156 1HB GLN 23 HB2 GLN 23 -2.479 3.493 3.148
157 2HB GLN 23 HB1 GLN 23 -2.245 1.885 3.839
158 1HG GLN 23 HG2 GLN 23 0.301 2.470 3.791
159 2HG GLN 23 HG1 GLN 23 -0.240 4.116 3.459
160 1HE2 GLN 23 HE21 GLN 23 -0.068 1.548 5.805
161 2HE2 GLN 23 HE22 GLN 23 -0.511 2.531 7.154
162 H CYS 24 HN CYS 24 0.857 1.893 1.314
163 HA CYS 24 HA CYS 24 1.119 -0.930 1.142
164 1HB CYS 24 HB2 CYS 24 3.127 1.278 1.536
165 2HB CYS 24 HB1 CYS 24 3.564 -0.421 1.412
166 H ARG 25 HN ARG 25 1.162 -2.374 2.609
167 HA ARG 25 HA ARG 25 2.385 -1.729 5.245
168 1HB ARG 25 HB2 ARG 25 0.072 -3.620 4.671
169 2HB ARG 25 HB1 ARG 25 0.898 -3.449 6.237
170 1HG ARG 25 HG2 ARG 25 0.170 -1.017 6.223
171 2HG ARG 25 HG1 ARG 25 -0.815 -1.407 4.803
172 1HD ARG 25 HD2 ARG 25 -2.142 -1.475 6.783
173 2HD ARG 25 HD1 ARG 25 -2.018 -3.090 6.122
174 HE ARG 25 HE ARG 25 -0.447 -2.059 8.449
175 1HH1 ARG 25 HH11 ARG 25 -2.252 -4.656 6.923
176 2HH1 ARG 25 HH12 ARG 25 -1.912 -5.773 8.157
177 1HH2 ARG 25 HH21 ARG 25 -0.031 -3.577 10.097
178 2HH2 ARG 25 HH22 ARG 25 -0.674 -5.181 9.975
179 H TYR 26 HN TYR 26 3.892 -2.937 5.854
180 HA TYR 26 HA TYR 26 5.641 -4.107 4.247
181 1HB TYR 26 HB2 TYR 26 6.453 -5.488 6.275
182 2HB TYR 26 HB1 TYR 26 6.390 -3.739 6.381
183 HD1 TYR 26 HD1 TYR 26 4.691 -2.611 7.770
184 HD2 TYR 26 HD2 TYR 26 4.952 -6.867 7.635
185 HE1 TYR 26 HE1 TYR 26 3.334 -2.737 9.769
186 HE2 TYR 26 HE2 TYR 26 3.581 -6.994 9.658
187 HH TYR 26 HH TYR 26 3.158 -5.194 11.727
188 H GLY 27 HN GLY 27 4.932 -5.260 2.649
189 1HA GLY 27 HA2 GLY 27 5.041 -7.751 2.198
190 2HA GLY 27 HA1 GLY 27 3.573 -7.857 3.164
191 H LYS 28 HN LYS 28 2.037 -5.876 2.450
192 HA LYS 28 HA LYS 28 1.873 -5.638 -0.451
193 1HB LYS 28 HB2 LYS 28 -0.337 -6.678 -0.660
194 2HB LYS 28 HB1 LYS 28 0.880 -7.837 -0.171
195 1HG LYS 28 HG2 LYS 28 -1.099 -6.533 1.743
196 2HG LYS 28 HG1 LYS 28 -1.315 -8.076 0.927
197 1HD LYS 28 HD2 LYS 28 1.079 -8.582 2.031
198 2HD LYS 28 HD1 LYS 28 0.527 -7.332 3.150
199 1HE LYS 28 HE2 LYS 28 -0.879 -9.926 2.481
200 2HE LYS 28 HE1 LYS 28 -0.029 -9.527 3.969
201 1HZ LYS 28 HZ1 LYS 28 -2.200 -9.170 4.516
202 2HZ LYS 28 HZ2 LYS 28 -2.628 -8.537 3.018
203 3HZ LYS 28 HZ3 LYS 28 -1.732 -7.599 4.114
204 H CYS 29 HN CYS 29 0.346 -4.287 -1.162
205 HA CYS 29 HA CYS 29 -0.265 -2.092 0.610
206 1HB CYS 29 HB2 CYS 29 0.516 -1.733 -1.685
207 2HB CYS 29 HB1 CYS 29 -0.913 -2.507 -2.315
208 H LEU 30 HN LEU 30 -2.073 -1.702 1.548
209 HA LEU 30 HA LEU 30 -4.442 -3.410 0.908
210 1HB LEU 30 HB2 LEU 30 -3.342 -2.626 3.632
211 2HB LEU 30 HB1 LEU 30 -4.874 -3.463 3.363
212 HG LEU 30 HG LEU 30 -2.137 -4.581 2.680
213 1HD1 LEU 30 HD11 LEU 30 -2.041 -4.819 4.883
214 2HD1 LEU 30 HD12 LEU 30 -3.133 -6.165 4.622
215 3HD1 LEU 30 HD13 LEU 30 -3.770 -4.616 5.155
216 1HD2 LEU 30 HD21 LEU 30 -3.411 -6.686 2.443
217 2HD2 LEU 30 HD22 LEU 30 -3.826 -5.514 1.213
218 3HD2 LEU 30 HD23 LEU 30 -4.918 -5.793 2.582
219 H VAL 31 HN VAL 31 -6.390 -2.604 1.614
220 HA VAL 31 HA VAL 31 -6.725 0.229 1.126
221 HB VAL 31 HB VAL 31 -8.831 -1.608 2.327
222 1HG1 VAL 31 HG11 VAL 31 -9.056 0.825 0.533
223 2HG1 VAL 31 HG12 VAL 31 -9.322 0.834 2.279
224 3HG1 VAL 31 HG13 VAL 31 -10.370 -0.108 1.235
225 1HG2 VAL 31 HG21 VAL 31 -7.923 -2.738 0.342
226 2HG2 VAL 31 HG22 VAL 31 -8.213 -1.285 -0.612
227 3HG2 VAL 31 HG23 VAL 31 -9.557 -2.151 0.099
228 H GLN 32 HN GLN 32 -6.116 1.600 2.510
229 HA GLN 32 HA GLN 32 -5.125 1.086 5.040
230 1HB GLN 32 HB2 GLN 32 -5.168 3.536 5.416
231 2HB GLN 32 HB1 GLN 32 -4.532 3.045 3.852
232 1HG GLN 32 HG2 GLN 32 -6.676 3.604 2.798
233 2HG GLN 32 HG1 GLN 32 -7.304 4.146 4.336
234 1HE2 GLN 32 HE21 GLN 32 -6.517 6.047 5.259
235 2HE2 GLN 32 HE22 GLN 32 -5.654 7.189 4.293
236 H VAL 33 HN VAL 33 -8.331 1.945 4.072
237 HA VAL 33 HA VAL 33 -9.278 1.676 6.875
238 HB VAL 33 HB VAL 33 -9.792 3.842 5.846
239 1HG1 VAL 33 HG11 VAL 33 -9.863 3.066 3.463
240 2HG1 VAL 33 HG12 VAL 33 -11.206 4.077 3.951
241 3HG1 VAL 33 HG13 VAL 33 -11.448 2.348 3.790
242 1HG2 VAL 33 HG21 VAL 33 -11.372 2.702 7.463
243 2HG2 VAL 33 HG22 VAL 33 -12.343 2.226 6.058
244 3HG2 VAL 33 HG23 VAL 33 -12.073 3.924 6.414
245 1HG HSL 34 HG1 HSL 34 -12.581 -4.105 7.347
246 2HG HSL 34 HG2 HSL 34 -12.859 -3.038 8.740
247 H HSL 34 HN HSL 34 -10.736 0.242 7.375
248 HA HSL 34 HA HSL 34 -11.384 -1.905 5.253
249 1HB HSL 34 HB1 HSL 34 -10.643 -3.009 7.089
250 2HB HSL 34 HB2 HSL 34 -11.137 -1.719 8.190
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 1.740 4.259 -12.757
2 2H ALA 1 HT2 ALA 1 2.446 4.915 -11.368
3 3H ALA 1 HT3 ALA 1 0.769 4.619 -11.424
4 HA ALA 1 HA ALA 1 1.158 2.242 -11.627
5 1HB ALA 1 HB1 ALA 1 4.084 2.959 -11.290
6 2HB ALA 1 HB2 ALA 1 3.307 2.388 -12.763
7 3HB ALA 1 HB3 ALA 1 3.411 1.318 -11.369
8 H CYS 2 HN CYS 2 -0.172 2.897 -9.932
9 HA CYS 2 HA CYS 2 1.081 3.437 -7.335
10 1HB CYS 2 HB2 CYS 2 -1.076 3.997 -6.581
11 2HB CYS 2 HB1 CYS 2 -0.930 4.697 -8.155
12 H GLY 3 HN GLY 3 0.867 2.126 -5.601
13 1HA GLY 3 HA2 GLY 3 0.501 -0.615 -5.840
14 2HA GLY 3 HA1 GLY 3 0.539 0.291 -4.340
15 H ILE 4 HN ILE 4 -1.280 -1.748 -5.929
16 HA ILE 4 HA ILE 4 -3.886 -0.559 -5.372
17 HB ILE 4 HB ILE 4 -4.819 -2.563 -6.513
18 1HG1 ILE 4 HG12 ILE 4 -1.948 -3.190 -7.183
19 2HG1 ILE 4 HG11 ILE 4 -2.860 -4.115 -5.978
20 1HG2 ILE 4 HG21 ILE 4 -2.767 -1.060 -8.140
21 2HG2 ILE 4 HG22 ILE 4 -4.380 -0.479 -7.701
22 3HG2 ILE 4 HG23 ILE 4 -4.216 -1.893 -8.724
23 1HD1 ILE 4 HD11 ILE 4 -3.351 -3.887 -8.934
24 2HD1 ILE 4 HD12 ILE 4 -4.442 -4.703 -7.801
25 3HD1 ILE 4 HD13 ILE 4 -2.793 -5.280 -8.016
26 H LEU 5 HN LEU 5 -5.493 -2.258 -4.713
27 HA LEU 5 HA LEU 5 -5.333 -2.354 -2.000
28 1HB LEU 5 HB2 LEU 5 -7.410 -3.529 -2.021
29 2HB LEU 5 HB1 LEU 5 -7.395 -2.347 -3.306
30 HG LEU 5 HG LEU 5 -6.869 -5.289 -3.783
31 1HD1 LEU 5 HD11 LEU 5 -9.091 -5.020 -2.826
32 2HD1 LEU 5 HD12 LEU 5 -9.127 -5.489 -4.521
33 3HD1 LEU 5 HD13 LEU 5 -9.470 -3.819 -4.074
34 1HD2 LEU 5 HD21 LEU 5 -7.611 -4.604 -6.101
35 2HD2 LEU 5 HD22 LEU 5 -6.027 -4.057 -5.602
36 3HD2 LEU 5 HD23 LEU 5 -7.392 -2.928 -5.595
37 H HIS 6 HN HIS 6 -3.956 -4.666 -4.099
38 HA HIS 6 HA HIS 6 -2.868 -6.033 -1.762
39 1HB HIS 6 HB2 HIS 6 -3.465 -8.271 -2.566
40 2HB HIS 6 HB1 HIS 6 -4.902 -7.322 -2.233
41 HD1 HIS 6 HD1 HIS 6 -2.881 -8.624 -5.161
42 HD2 HIS 6 HD2 HIS 6 -6.656 -7.132 -4.312
43 HE1 HIS 6 HE1 HIS 6 -4.212 -8.905 -7.266
44 HE2 HIS 6 HE2 HIS 6 -6.442 -7.840 -6.784
45 H ASP 7 HN ASP 7 -1.608 -4.285 -3.227
46 HA ASP 7 HA ASP 7 0.011 -5.840 -5.181
47 1HB ASP 7 HB2 ASP 7 -0.760 -3.764 -6.016
48 2HB ASP 7 HB1 ASP 7 -0.148 -2.846 -4.670
49 H ASN 8 HN ASN 8 1.840 -6.578 -4.660
50 HA ASN 8 HA ASN 8 2.840 -6.440 -2.020
51 1HB ASN 8 HB2 ASN 8 4.039 -7.539 -4.536
52 2HB ASN 8 HB1 ASN 8 4.802 -7.709 -2.948
53 1HD2 ASN 8 HD21 ASN 8 3.802 -9.012 -1.367
54 2HD2 ASN 8 HD22 ASN 8 2.630 -10.191 -1.838
55 H CYS 9 HN CYS 9 4.069 -5.101 -1.065
56 HA CYS 9 HA CYS 9 6.035 -3.467 -2.375
57 1HB CYS 9 HB2 CYS 9 4.949 -1.301 -1.757
58 2HB CYS 9 HB1 CYS 9 4.045 -2.203 -2.957
59 H VAL 10 HN VAL 10 6.859 -1.804 -0.804
60 HA VAL 10 HA VAL 10 7.194 -3.140 1.840
61 HB VAL 10 HB VAL 10 9.273 -1.814 2.052
62 1HG1 VAL 10 HG11 VAL 10 9.352 -4.093 1.164
63 2HG1 VAL 10 HG12 VAL 10 10.590 -3.056 0.465
64 3HG1 VAL 10 HG13 VAL 10 9.159 -3.460 -0.481
65 1HG2 VAL 10 HG21 VAL 10 10.190 -0.654 0.133
66 2HG2 VAL 10 HG22 VAL 10 8.683 0.107 0.593
67 3HG2 VAL 10 HG23 VAL 10 8.745 -0.962 -0.812
68 H TYR 11 HN TYR 11 7.303 -1.942 3.673
69 HA TYR 11 HA TYR 11 5.019 -0.141 3.781
70 1HB TYR 11 HB2 TYR 11 5.490 -1.998 5.393
71 2HB TYR 11 HB1 TYR 11 6.800 -1.077 6.072
72 HD1 TYR 11 HD1 TYR 11 6.312 0.900 7.469
73 HD2 TYR 11 HD2 TYR 11 3.182 -1.329 5.726
74 HE1 TYR 11 HE1 TYR 11 4.690 2.007 8.927
75 HE2 TYR 11 HE2 TYR 11 1.541 -0.262 7.159
76 HH TYR 11 HH TYR 11 1.814 0.954 9.637
77 H VAL 12 HN VAL 12 6.063 1.460 2.496
78 HA VAL 12 HA VAL 12 7.616 3.355 4.193
79 HB VAL 12 HB VAL 12 7.783 3.095 1.181
80 1HG1 VAL 12 HG11 VAL 12 8.077 5.402 1.846
81 2HG1 VAL 12 HG12 VAL 12 9.637 4.728 1.466
82 3HG1 VAL 12 HG13 VAL 12 9.170 4.948 3.148
83 1HG2 VAL 12 HG21 VAL 12 10.032 2.324 1.529
84 2HG2 VAL 12 HG22 VAL 12 8.923 1.243 2.359
85 3HG2 VAL 12 HG23 VAL 12 9.861 2.427 3.280
86 HA PRO 13 HA PRO 13 3.392 5.034 3.467
87 1HB PRO 13 HB2 PRO 13 3.447 6.566 5.764
88 2HB PRO 13 HB1 PRO 13 2.935 4.886 5.681
89 1HG PRO 13 HG2 PRO 13 5.588 5.988 6.511
90 2HG PRO 13 HG1 PRO 13 4.612 4.705 7.251
91 1HD PRO 13 HD2 PRO 13 6.712 4.168 5.731
92 2HD PRO 13 HD1 PRO 13 5.278 3.115 5.711
93 H ALA 14 HN ALA 14 6.354 6.668 4.469
94 HA ALA 14 HA ALA 14 5.607 9.316 3.871
95 1HB ALA 14 HB1 ALA 14 7.542 8.728 5.221
96 2HB ALA 14 HB2 ALA 14 7.992 9.818 3.915
97 3HB ALA 14 HB3 ALA 14 8.377 8.088 3.809
98 H GLN 15 HN GLN 15 6.646 6.682 1.924
99 HA GLN 15 HA GLN 15 6.137 8.286 -0.516
100 1HB GLN 15 HB2 GLN 15 8.371 6.298 0.029
101 2HB GLN 15 HB1 GLN 15 7.913 6.829 -1.593
102 1HG GLN 15 HG2 GLN 15 8.433 9.163 -0.936
103 2HG GLN 15 HG1 GLN 15 8.982 8.572 0.639
104 1HE2 GLN 15 HE21 GLN 15 10.935 7.455 0.788
105 2HE2 GLN 15 HE22 GLN 15 12.056 7.449 -0.526
106 H ASN 16 HN ASN 16 4.194 7.088 0.704
107 HA ASN 16 HA ASN 16 3.706 4.393 0.137
108 1HB ASN 16 HB2 ASN 16 2.338 5.732 1.660
109 2HB ASN 16 HB1 ASN 16 1.687 6.665 0.319
110 1HD2 ASN 16 HD21 ASN 16 -0.446 6.052 0.662
111 2HD2 ASN 16 HD22 ASN 16 -0.979 4.433 0.428
112 HA PRO 17 HA PRO 17 3.700 4.927 -4.311
113 1HB PRO 17 HB2 PRO 17 3.870 2.332 -4.928
114 2HB PRO 17 HB1 PRO 17 5.183 3.150 -4.074
115 1HG PRO 17 HG2 PRO 17 2.984 1.451 -2.894
116 2HG PRO 17 HG1 PRO 17 4.740 1.343 -2.663
117 1HD PRO 17 HD2 PRO 17 3.132 2.615 -0.931
118 2HD PRO 17 HD1 PRO 17 4.820 3.108 -1.214
119 H CYS 18 HN CYS 18 1.288 3.775 -2.331
120 HA CYS 18 HA CYS 18 -0.354 2.451 -4.207
121 1HB CYS 18 HB2 CYS 18 -0.873 3.363 -1.414
122 2HB CYS 18 HB1 CYS 18 -1.913 2.329 -2.358
123 H CYS 19 HN CYS 19 -2.356 2.969 -4.864
124 HA CYS 19 HA CYS 19 -2.808 5.665 -5.655
125 1HB CYS 19 HB2 CYS 19 -4.338 3.117 -5.730
126 2HB CYS 19 HB1 CYS 19 -5.316 4.576 -5.802
127 H ARG 20 HN ARG 20 -4.380 7.079 -5.024
128 HA ARG 20 HA ARG 20 -4.149 7.703 -2.283
129 1HB ARG 20 HB2 ARG 20 -4.409 9.370 -4.014
130 2HB ARG 20 HB1 ARG 20 -6.041 8.807 -4.392
131 1HG ARG 20 HG2 ARG 20 -6.756 9.492 -2.089
132 2HG ARG 20 HG1 ARG 20 -5.115 10.091 -1.798
133 1HD ARG 20 HD2 ARG 20 -6.711 11.833 -2.410
134 2HD ARG 20 HD1 ARG 20 -5.356 11.711 -3.534
135 HE ARG 20 HE ARG 20 -7.907 10.332 -4.169
136 1HH1 ARG 20 HH11 ARG 20 -5.702 13.007 -4.855
137 2HH1 ARG 20 HH12 ARG 20 -6.431 13.332 -6.371
138 1HH2 ARG 20 HH21 ARG 20 -8.807 10.793 -6.188
139 2HH2 ARG 20 HH22 ARG 20 -8.185 12.101 -7.138
140 H GLY 21 HN GLY 21 -4.942 6.494 -0.806
141 1HA GLY 21 HA2 GLY 21 -7.017 6.183 0.474
142 2HA GLY 21 HA1 GLY 21 -7.787 5.566 -0.977
143 H LEU 22 HN LEU 22 -4.746 4.473 -1.215
144 HA LEU 22 HA LEU 22 -5.332 1.963 0.278
145 1HB LEU 22 HB2 LEU 22 -3.701 2.379 -2.233
146 2HB LEU 22 HB1 LEU 22 -3.980 0.841 -1.431
147 HG LEU 22 HG LEU 22 -6.112 2.552 -2.721
148 1HD1 LEU 22 HD11 LEU 22 -5.029 -0.039 -3.716
149 2HD1 LEU 22 HD12 LEU 22 -4.404 1.503 -4.287
150 3HD1 LEU 22 HD13 LEU 22 -6.091 1.080 -4.529
151 1HD2 LEU 22 HD21 LEU 22 -7.105 1.249 -0.987
152 2HD2 LEU 22 HD22 LEU 22 -6.175 -0.193 -1.434
153 3HD2 LEU 22 HD23 LEU 22 -7.426 0.429 -2.505
154 H GLN 23 HN GLN 23 -3.912 1.168 1.577
155 HA GLN 23 HA GLN 23 -1.465 2.787 2.088
156 1HB GLN 23 HB2 GLN 23 -3.077 3.080 3.874
157 2HB GLN 23 HB1 GLN 23 -3.297 1.347 4.035
158 1HG GLN 23 HG2 GLN 23 -1.924 2.155 5.806
159 2HG GLN 23 HG1 GLN 23 -0.939 1.113 4.802
160 1HE2 GLN 23 HE21 GLN 23 1.036 1.994 5.309
161 2HE2 GLN 23 HE22 GLN 23 1.456 3.621 4.926
162 H CYS 24 HN CYS 24 0.274 1.825 1.661
163 HA CYS 24 HA CYS 24 0.480 -0.977 1.199
164 1HB CYS 24 HB2 CYS 24 1.846 0.538 -0.072
165 2HB CYS 24 HB1 CYS 24 2.608 1.123 1.377
166 H ARG 25 HN ARG 25 0.837 -2.511 2.503
167 HA ARG 25 HA ARG 25 1.999 -1.984 5.155
168 1HB ARG 25 HB2 ARG 25 -0.114 -2.912 5.451
169 2HB ARG 25 HB1 ARG 25 0.114 -4.087 4.161
170 1HG ARG 25 HG2 ARG 25 1.776 -5.291 5.540
171 2HG ARG 25 HG1 ARG 25 1.584 -4.078 6.817
172 1HD ARG 25 HD2 ARG 25 -0.672 -5.791 5.754
173 2HD ARG 25 HD1 ARG 25 0.390 -6.252 7.091
174 HE ARG 25 HE ARG 25 -0.583 -3.714 7.715
175 1HH1 ARG 25 HH11 ARG 25 -1.909 -6.930 7.189
176 2HH1 ARG 25 HH12 ARG 25 -3.194 -6.686 8.306
177 1HH2 ARG 25 HH21 ARG 25 -2.266 -3.422 9.179
178 2HH2 ARG 25 HH22 ARG 25 -3.412 -4.694 9.446
179 H TYR 26 HN TYR 26 3.569 -3.342 5.939
180 HA TYR 26 HA TYR 26 5.651 -4.052 4.268
181 1HB TYR 26 HB2 TYR 26 6.070 -3.834 6.580
182 2HB TYR 26 HB1 TYR 26 4.880 -5.053 7.017
183 HD1 TYR 26 HD1 TYR 26 8.054 -4.680 5.036
184 HD2 TYR 26 HD2 TYR 26 5.694 -7.191 7.576
185 HE1 TYR 26 HE1 TYR 26 9.845 -6.351 5.066
186 HE2 TYR 26 HE2 TYR 26 7.460 -8.876 7.536
187 HH TYR 26 HH TYR 26 10.462 -8.317 6.938
188 H GLY 27 HN GLY 27 5.219 -5.139 2.539
189 1HA GLY 27 HA2 GLY 27 5.375 -7.515 1.824
190 2HA GLY 27 HA1 GLY 27 3.911 -7.818 2.749
191 H LYS 28 HN LYS 28 2.298 -5.779 2.208
192 HA LYS 28 HA LYS 28 2.177 -5.166 -0.598
193 1HB LYS 28 HB2 LYS 28 0.116 -6.393 -1.108
194 2HB LYS 28 HB1 LYS 28 1.451 -7.476 -0.725
195 1HG LYS 28 HG2 LYS 28 0.582 -7.825 1.529
196 2HG LYS 28 HG1 LYS 28 -0.771 -6.717 1.199
197 1HD LYS 28 HD2 LYS 28 -1.614 -8.170 -0.540
198 2HD LYS 28 HD1 LYS 28 -0.220 -9.253 -0.374
199 1HE LYS 28 HE2 LYS 28 -0.922 -9.731 1.955
200 2HE LYS 28 HE1 LYS 28 -2.356 -8.720 1.697
201 1HZ LYS 28 HZ1 LYS 28 -2.827 -11.039 1.387
202 2HZ LYS 28 HZ2 LYS 28 -1.666 -11.186 0.172
203 3HZ LYS 28 HZ3 LYS 28 -3.047 -10.219 -0.073
204 H CYS 29 HN CYS 29 0.398 -4.022 -1.216
205 HA CYS 29 HA CYS 29 -0.404 -2.096 0.747
206 1HB CYS 29 HB2 CYS 29 0.341 -1.565 -1.595
207 2HB CYS 29 HB1 CYS 29 -1.126 -2.255 -2.172
208 H LEU 30 HN LEU 30 -2.398 -1.616 1.379
209 HA LEU 30 HA LEU 30 -4.580 -3.497 0.695
210 1HB LEU 30 HB2 LEU 30 -3.704 -2.662 3.483
211 2HB LEU 30 HB1 LEU 30 -5.192 -3.540 3.123
212 HG LEU 30 HG LEU 30 -2.380 -4.587 2.661
213 1HD1 LEU 30 HD11 LEU 30 -2.948 -4.398 5.042
214 2HD1 LEU 30 HD12 LEU 30 -2.850 -6.069 4.502
215 3HD1 LEU 30 HD13 LEU 30 -4.430 -5.331 4.758
216 1HD2 LEU 30 HD21 LEU 30 -3.564 -6.728 2.280
217 2HD2 LEU 30 HD22 LEU 30 -3.904 -5.557 1.028
218 3HD2 LEU 30 HD23 LEU 30 -5.102 -5.877 2.287
219 H VAL 31 HN VAL 31 -6.616 -2.802 1.546
220 HA VAL 31 HA VAL 31 -7.164 -0.119 0.639
221 HB VAL 31 HB VAL 31 -9.527 -0.655 1.108
222 1HG1 VAL 31 HG11 VAL 31 -8.145 -2.959 -0.259
223 2HG1 VAL 31 HG12 VAL 31 -8.481 -1.392 -1.017
224 3HG1 VAL 31 HG13 VAL 31 -9.806 -2.417 -0.474
225 1HG2 VAL 31 HG21 VAL 31 -8.359 -3.131 2.420
226 2HG2 VAL 31 HG22 VAL 31 -10.014 -3.036 1.841
227 3HG2 VAL 31 HG23 VAL 31 -9.473 -1.939 3.082
228 H GLN 32 HN GLN 32 -8.236 1.439 1.745
229 HA GLN 32 HA GLN 32 -7.198 1.976 4.386
230 1HB GLN 32 HB2 GLN 32 -8.493 4.069 4.245
231 2HB GLN 32 HB1 GLN 32 -7.487 3.780 2.836
232 1HG GLN 32 HG2 GLN 32 -9.407 3.061 1.531
233 2HG GLN 32 HG1 GLN 32 -10.471 3.214 2.922
234 1HE2 GLN 32 HE21 GLN 32 -10.583 4.490 0.302
235 2HE2 GLN 32 HE22 GLN 32 -10.580 6.182 0.649
236 H VAL 33 HN VAL 33 -8.253 -0.180 4.984
237 HA VAL 33 HA VAL 33 -11.067 -0.013 5.759
238 HB VAL 33 HB VAL 33 -10.221 -2.151 4.918
239 1HG1 VAL 33 HG11 VAL 33 -8.604 -3.463 5.998
240 2HG1 VAL 33 HG12 VAL 33 -8.476 -2.387 7.371
241 3HG1 VAL 33 HG13 VAL 33 -7.858 -1.892 5.794
242 1HG2 VAL 33 HG21 VAL 33 -10.839 -2.501 7.848
243 2HG2 VAL 33 HG22 VAL 33 -11.232 -3.543 6.495
244 3HG2 VAL 33 HG23 VAL 33 -12.058 -2.002 6.666
245 1HG HSL 34 HG1 HSL 34 -9.180 5.500 9.205
246 2HG HSL 34 HG2 HSL 34 -8.386 4.492 10.432
247 H HSL 34 HN HSL 34 -10.184 2.005 6.830
248 HA HSL 34 HA HSL 34 -9.179 1.547 9.264
249 1HB HSL 34 HB1 HSL 34 -7.724 3.200 8.723
250 2HB HSL 34 HB2 HSL 34 -8.855 3.970 7.604
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 1.789 4.740 -11.694
2 2H ALA 1 HT2 ALA 1 3.180 3.943 -12.215
3 3H ALA 1 HT3 ALA 1 3.167 4.684 -10.694
4 HA ALA 1 HA ALA 1 1.563 2.337 -11.568
5 1HB ALA 1 HB1 ALA 1 3.872 2.494 -9.615
6 2HB ALA 1 HB2 ALA 1 3.912 1.831 -11.244
7 3HB ALA 1 HB3 ALA 1 2.937 1.039 -10.012
8 H CYS 2 HN CYS 2 -0.310 2.384 -10.724
9 HA CYS 2 HA CYS 2 -0.825 3.759 -8.167
10 1HB CYS 2 HB2 CYS 2 -2.254 3.802 -10.389
11 2HB CYS 2 HB1 CYS 2 -2.961 2.326 -9.753
12 H GLY 3 HN GLY 3 -0.394 2.653 -6.477
13 1HA GLY 3 HA2 GLY 3 -0.093 -0.124 -6.288
14 2HA GLY 3 HA1 GLY 3 -0.246 0.933 -4.945
15 H ILE 4 HN ILE 4 -1.483 -1.643 -6.216
16 HA ILE 4 HA ILE 4 -4.355 -1.066 -5.723
17 HB ILE 4 HB ILE 4 -4.738 -3.268 -6.894
18 1HG1 ILE 4 HG12 ILE 4 -1.782 -2.994 -7.556
19 2HG1 ILE 4 HG11 ILE 4 -2.488 -4.269 -6.552
20 1HG2 ILE 4 HG21 ILE 4 -3.288 -1.189 -8.561
21 2HG2 ILE 4 HG22 ILE 4 -4.963 -1.072 -8.007
22 3HG2 ILE 4 HG23 ILE 4 -4.497 -2.362 -9.100
23 1HD1 ILE 4 HD11 ILE 4 -3.823 -4.902 -8.615
24 2HD1 ILE 4 HD12 ILE 4 -2.089 -5.202 -8.625
25 3HD1 ILE 4 HD13 ILE 4 -2.742 -3.817 -9.494
26 H LEU 5 HN LEU 5 -5.540 -2.805 -4.866
27 HA LEU 5 HA LEU 5 -4.786 -3.168 -2.177
28 1HB LEU 5 HB2 LEU 5 -6.933 -4.370 -1.949
29 2HB LEU 5 HB1 LEU 5 -7.027 -2.805 -2.712
30 HG LEU 5 HG LEU 5 -6.779 -4.991 -4.670
31 1HD1 LEU 5 HD11 LEU 5 -9.282 -4.777 -3.002
32 2HD1 LEU 5 HD12 LEU 5 -8.143 -6.136 -2.976
33 3HD1 LEU 5 HD13 LEU 5 -9.036 -5.761 -4.444
34 1HD2 LEU 5 HD21 LEU 5 -8.729 -2.713 -4.368
35 2HD2 LEU 5 HD22 LEU 5 -8.501 -3.745 -5.775
36 3HD2 LEU 5 HD23 LEU 5 -7.226 -2.647 -5.293
37 H HIS 6 HN HIS 6 -3.588 -4.847 -4.641
38 HA HIS 6 HA HIS 6 -2.712 -6.963 -2.861
39 1HB HIS 6 HB2 HIS 6 -3.156 -8.703 -4.657
40 2HB HIS 6 HB1 HIS 6 -4.572 -8.077 -3.835
41 HD1 HIS 6 HD1 HIS 6 -2.921 -8.147 -7.197
42 HD2 HIS 6 HD2 HIS 6 -6.382 -6.715 -5.420
43 HE1 HIS 6 HE1 HIS 6 -4.426 -7.463 -9.088
44 HE2 HIS 6 HE2 HIS 6 -6.530 -6.634 -7.986
45 H ASP 7 HN ASP 7 -1.464 -4.710 -3.658
46 HA ASP 7 HA ASP 7 0.583 -5.788 -5.546
47 1HB ASP 7 HB2 ASP 7 -0.492 -3.674 -6.218
48 2HB ASP 7 HB1 ASP 7 0.087 -2.869 -4.795
49 H ASN 8 HN ASN 8 2.382 -6.321 -4.770
50 HA ASN 8 HA ASN 8 2.909 -6.100 -1.949
51 1HB ASN 8 HB2 ASN 8 4.976 -7.397 -2.441
52 2HB ASN 8 HB1 ASN 8 3.500 -8.135 -3.042
53 1HD2 ASN 8 HD21 ASN 8 6.561 -6.769 -3.918
54 2HD2 ASN 8 HD22 ASN 8 6.421 -7.111 -5.605
55 H CYS 9 HN CYS 9 3.872 -4.585 -0.964
56 HA CYS 9 HA CYS 9 5.959 -2.939 -2.234
57 1HB CYS 9 HB2 CYS 9 4.809 -0.846 -1.737
58 2HB CYS 9 HB1 CYS 9 3.815 -1.836 -2.794
59 H VAL 10 HN VAL 10 6.770 -1.332 -0.698
60 HA VAL 10 HA VAL 10 6.905 -2.526 2.031
61 HB VAL 10 HB VAL 10 9.020 -1.297 2.301
62 1HG1 VAL 10 HG11 VAL 10 9.047 -3.613 1.508
63 2HG1 VAL 10 HG12 VAL 10 10.372 -2.662 0.847
64 3HG1 VAL 10 HG13 VAL 10 8.983 -3.041 -0.169
65 1HG2 VAL 10 HG21 VAL 10 8.637 0.592 0.760
66 2HG2 VAL 10 HG22 VAL 10 8.672 -0.520 -0.612
67 3HG2 VAL 10 HG23 VAL 10 10.105 -0.280 0.370
68 H TYR 11 HN TYR 11 6.756 -1.306 3.729
69 HA TYR 11 HA TYR 11 4.791 0.769 3.669
70 1HB TYR 11 HB2 TYR 11 5.040 0.748 6.159
71 2HB TYR 11 HB1 TYR 11 4.735 -0.828 5.450
72 HD1 TYR 11 HD1 TYR 11 6.763 0.902 7.755
73 HD2 TYR 11 HD2 TYR 11 6.899 -2.294 4.906
74 HE1 TYR 11 HE1 TYR 11 8.731 -0.033 8.867
75 HE2 TYR 11 HE2 TYR 11 8.868 -3.195 6.009
76 HH TYR 11 HH TYR 11 10.816 -2.015 7.593
77 H VAL 12 HN VAL 12 6.107 2.076 2.243
78 HA VAL 12 HA VAL 12 7.641 4.060 3.829
79 HB VAL 12 HB VAL 12 8.336 3.198 1.005
80 1HG1 VAL 12 HG11 VAL 12 9.333 5.415 2.808
81 2HG1 VAL 12 HG12 VAL 12 8.827 5.486 1.117
82 3HG1 VAL 12 HG13 VAL 12 10.335 4.717 1.540
83 1HG2 VAL 12 HG21 VAL 12 9.859 2.805 3.597
84 2HG2 VAL 12 HG22 VAL 12 10.430 2.428 1.973
85 3HG2 VAL 12 HG23 VAL 12 9.075 1.536 2.644
86 HA PRO 13 HA PRO 13 3.961 6.118 2.091
87 1HB PRO 13 HB2 PRO 13 4.766 8.046 4.217
88 2HB PRO 13 HB1 PRO 13 3.209 7.280 3.882
89 1HG PRO 13 HG2 PRO 13 4.726 6.558 5.954
90 2HG PRO 13 HG1 PRO 13 3.742 5.375 5.070
91 1HD PRO 13 HD2 PRO 13 6.695 5.895 4.929
92 2HD PRO 13 HD1 PRO 13 5.775 4.372 4.912
93 H ALA 14 HN ALA 14 7.166 7.293 2.892
94 HA ALA 14 HA ALA 14 7.278 9.793 1.840
95 1HB ALA 14 HB1 ALA 14 9.671 9.423 1.468
96 2HB ALA 14 HB2 ALA 14 9.429 7.668 1.575
97 3HB ALA 14 HB3 ALA 14 9.132 8.691 2.975
98 H GLN 15 HN GLN 15 7.584 6.738 0.129
99 HA GLN 15 HA GLN 15 6.631 8.130 -2.316
100 1HB GLN 15 HB2 GLN 15 9.058 7.489 -2.482
101 2HB GLN 15 HB1 GLN 15 8.598 5.794 -2.274
102 1HG GLN 15 HG2 GLN 15 7.071 6.149 -4.345
103 2HG GLN 15 HG1 GLN 15 7.911 7.687 -4.535
104 1HE2 GLN 15 HE21 GLN 15 8.165 4.210 -4.721
105 2HE2 GLN 15 HE22 GLN 15 9.660 4.212 -5.585
106 H ASN 16 HN ASN 16 4.750 7.510 -1.002
107 HA ASN 16 HA ASN 16 3.839 4.854 -0.850
108 1HB ASN 16 HB2 ASN 16 2.757 6.684 0.332
109 2HB ASN 16 HB1 ASN 16 2.222 7.410 -1.176
110 1HD2 ASN 16 HD21 ASN 16 1.675 4.918 1.181
111 2HD2 ASN 16 HD22 ASN 16 0.192 4.352 0.499
112 HA PRO 17 HA PRO 17 3.523 4.390 -5.327
113 1HB PRO 17 HB2 PRO 17 3.591 1.719 -5.355
114 2HB PRO 17 HB1 PRO 17 5.003 2.663 -4.873
115 1HG PRO 17 HG2 PRO 17 2.989 1.298 -3.106
116 2HG PRO 17 HG1 PRO 17 4.761 1.267 -3.033
117 1HD PRO 17 HD2 PRO 17 3.206 2.903 -1.506
118 2HD PRO 17 HD1 PRO 17 4.887 3.252 -1.953
119 H CYS 18 HN CYS 18 1.393 3.675 -2.843
120 HA CYS 18 HA CYS 18 -0.568 2.215 -4.277
121 1HB CYS 18 HB2 CYS 18 -0.558 3.493 -1.570
122 2HB CYS 18 HB1 CYS 18 -1.883 2.531 -2.192
123 H CYS 19 HN CYS 19 -2.569 2.829 -4.817
124 HA CYS 19 HA CYS 19 -3.079 5.541 -5.585
125 1HB CYS 19 HB2 CYS 19 -5.211 3.476 -4.932
126 2HB CYS 19 HB1 CYS 19 -5.303 4.847 -6.042
127 H ARG 20 HN ARG 20 -3.111 7.060 -4.181
128 HA ARG 20 HA ARG 20 -3.071 6.753 -1.440
129 1HB ARG 20 HB2 ARG 20 -3.526 9.167 -1.234
130 2HB ARG 20 HB1 ARG 20 -2.280 8.743 -2.407
131 1HG ARG 20 HG2 ARG 20 -3.907 9.081 -4.248
132 2HG ARG 20 HG1 ARG 20 -5.115 9.584 -3.053
133 1HD ARG 20 HD2 ARG 20 -3.543 11.344 -2.293
134 2HD ARG 20 HD1 ARG 20 -2.464 10.908 -3.637
135 HE ARG 20 HE ARG 20 -4.776 11.402 -4.933
136 1HH1 ARG 20 HH11 ARG 20 -2.963 13.220 -2.518
137 2HH1 ARG 20 HH12 ARG 20 -3.530 14.732 -3.093
138 1HH2 ARG 20 HH21 ARG 20 -5.488 13.427 -5.666
139 2HH2 ARG 20 HH22 ARG 20 -4.952 14.871 -4.875
140 H GLY 21 HN GLY 21 -4.389 6.355 0.030
141 1HA GLY 21 HA2 GLY 21 -6.756 6.404 0.821
142 2HA GLY 21 HA1 GLY 21 -7.210 5.790 -0.771
143 H LEU 22 HN LEU 22 -4.717 4.244 -0.961
144 HA LEU 22 HA LEU 22 -5.308 2.016 0.910
145 1HB LEU 22 HB2 LEU 22 -3.841 2.119 -1.740
146 2HB LEU 22 HB1 LEU 22 -3.837 0.707 -0.687
147 HG LEU 22 HG LEU 22 -6.348 0.642 -0.981
148 1HD1 LEU 22 HD11 LEU 22 -7.236 1.774 -2.975
149 2HD1 LEU 22 HD12 LEU 22 -5.793 2.764 -3.010
150 3HD1 LEU 22 HD13 LEU 22 -6.896 2.844 -1.643
151 1HD2 LEU 22 HD21 LEU 22 -6.251 -0.413 -3.110
152 2HD2 LEU 22 HD22 LEU 22 -4.805 -0.832 -2.200
153 3HD2 LEU 22 HD23 LEU 22 -4.729 0.384 -3.486
154 H GLN 23 HN GLN 23 -3.655 0.981 1.942
155 HA GLN 23 HA GLN 23 -1.234 2.657 2.377
156 1HB GLN 23 HB2 GLN 23 -3.039 1.228 4.331
157 2HB GLN 23 HB1 GLN 23 -1.377 1.614 4.780
158 1HG GLN 23 HG2 GLN 23 -3.458 3.639 3.892
159 2HG GLN 23 HG1 GLN 23 -3.070 3.234 5.562
160 1HE2 GLN 23 HE21 GLN 23 -1.088 3.888 6.450
161 2HE2 GLN 23 HE22 GLN 23 -0.125 5.090 5.668
162 H CYS 24 HN CYS 24 0.607 1.824 2.308
163 HA CYS 24 HA CYS 24 0.975 -0.951 1.550
164 1HB CYS 24 HB2 CYS 24 2.747 1.421 1.921
165 2HB CYS 24 HB1 CYS 24 3.495 -0.172 1.980
166 H ARG 25 HN ARG 25 0.264 -2.186 3.109
167 HA ARG 25 HA ARG 25 1.484 -2.053 5.790
168 1HB ARG 25 HB2 ARG 25 -0.358 -4.095 4.477
169 2HB ARG 25 HB1 ARG 25 0.193 -4.147 6.167
170 1HG ARG 25 HG2 ARG 25 -0.967 -2.021 6.606
171 2HG ARG 25 HG1 ARG 25 -1.518 -1.971 4.922
172 1HD ARG 25 HD2 ARG 25 -2.683 -4.069 5.264
173 2HD ARG 25 HD1 ARG 25 -2.187 -4.120 6.951
174 HE ARG 25 HE ARG 25 -3.440 -1.797 6.946
175 1HH1 ARG 25 HH11 ARG 25 -4.426 -4.811 5.445
176 2HH1 ARG 25 HH12 ARG 25 -6.086 -4.453 5.534
177 1HH2 ARG 25 HH21 ARG 25 -5.658 -1.364 7.106
178 2HH2 ARG 25 HH22 ARG 25 -6.810 -2.512 6.507
179 H TYR 26 HN TYR 26 2.654 -3.803 6.606
180 HA TYR 26 HA TYR 26 4.991 -4.290 5.214
181 1HB TYR 26 HB2 TYR 26 4.771 -4.566 7.621
182 2HB TYR 26 HB1 TYR 26 3.774 -6.001 7.415
183 HD1 TYR 26 HD1 TYR 26 7.176 -4.606 6.764
184 HD2 TYR 26 HD2 TYR 26 4.801 -8.136 7.159
185 HE1 TYR 26 HE1 TYR 26 9.204 -5.973 6.733
186 HE2 TYR 26 HE2 TYR 26 6.832 -9.497 7.132
187 HH TYR 26 HH TYR 26 9.750 -8.492 7.754
188 H GLY 27 HN GLY 27 4.744 -4.914 3.196
189 1HA GLY 27 HA2 GLY 27 5.178 -6.906 1.920
190 2HA GLY 27 HA1 GLY 27 3.873 -7.735 2.744
191 H LYS 28 HN LYS 28 1.929 -5.653 2.626
192 HA LYS 28 HA LYS 28 1.354 -5.726 -0.297
193 1HB LYS 28 HB2 LYS 28 -0.373 -6.694 1.998
194 2HB LYS 28 HB1 LYS 28 -0.999 -6.409 0.362
195 1HG LYS 28 HG2 LYS 28 0.378 -8.129 -0.551
196 2HG LYS 28 HG1 LYS 28 1.232 -8.358 0.991
197 1HD LYS 28 HD2 LYS 28 -0.770 -9.174 2.060
198 2HD LYS 28 HD1 LYS 28 -1.749 -8.809 0.628
199 1HE LYS 28 HE2 LYS 28 0.558 -10.771 0.611
200 2HE LYS 28 HE1 LYS 28 -1.116 -11.200 0.944
201 1HZ LYS 28 HZ1 LYS 28 -1.722 -10.249 -1.257
202 2HZ LYS 28 HZ2 LYS 28 -0.695 -11.586 -1.326
203 3HZ LYS 28 HZ3 LYS 28 -0.063 -10.045 -1.586
204 H CYS 29 HN CYS 29 0.430 -4.129 -1.122
205 HA CYS 29 HA CYS 29 -0.377 -1.786 0.379
206 1HB CYS 29 HB2 CYS 29 0.631 -1.556 -1.843
207 2HB CYS 29 HB1 CYS 29 -0.647 -2.477 -2.561
208 H LEU 30 HN LEU 30 -2.085 -2.003 1.559
209 HA LEU 30 HA LEU 30 -4.484 -3.352 0.395
210 1HB LEU 30 HB2 LEU 30 -3.555 -3.274 3.288
211 2HB LEU 30 HB1 LEU 30 -5.050 -4.014 2.706
212 HG LEU 30 HG LEU 30 -2.244 -4.922 2.016
213 1HD1 LEU 30 HD11 LEU 30 -2.654 -5.518 4.254
214 2HD1 LEU 30 HD12 LEU 30 -2.955 -6.939 3.306
215 3HD1 LEU 30 HD13 LEU 30 -4.313 -6.012 3.922
216 1HD2 LEU 30 HD21 LEU 30 -3.452 -6.891 1.075
217 2HD2 LEU 30 HD22 LEU 30 -3.663 -5.419 0.148
218 3HD2 LEU 30 HD23 LEU 30 -4.961 -5.993 1.210
219 H VAL 31 HN VAL 31 -6.359 -2.499 0.659
220 HA VAL 31 HA VAL 31 -6.580 0.310 0.712
221 HB VAL 31 HB VAL 31 -8.827 -1.657 1.209
222 1HG1 VAL 31 HG11 VAL 31 -8.774 1.203 0.205
223 2HG1 VAL 31 HG12 VAL 31 -9.575 0.574 1.654
224 3HG1 VAL 31 HG13 VAL 31 -10.161 0.129 0.065
225 1HG2 VAL 31 HG21 VAL 31 -8.565 -2.436 -0.820
226 2HG2 VAL 31 HG22 VAL 31 -7.198 -1.383 -1.143
227 3HG2 VAL 31 HG23 VAL 31 -8.833 -0.834 -1.486
228 H GLN 32 HN GLN 32 -6.798 1.724 2.201
229 HA GLN 32 HA GLN 32 -6.595 0.924 4.976
230 1HB GLN 32 HB2 GLN 32 -5.459 2.921 4.008
231 2HB GLN 32 HB1 GLN 32 -7.016 3.710 3.804
232 1HG GLN 32 HG2 GLN 32 -7.349 3.433 6.319
233 2HG GLN 32 HG1 GLN 32 -5.675 2.877 6.388
234 1HE2 GLN 32 HE21 GLN 32 -6.970 5.162 7.645
235 2HE2 GLN 32 HE22 GLN 32 -6.078 6.534 7.093
236 H VAL 33 HN VAL 33 -8.476 -0.293 4.965
237 HA VAL 33 HA VAL 33 -11.053 1.145 5.027
238 HB VAL 33 HB VAL 33 -12.042 -1.101 5.462
239 1HG1 VAL 33 HG11 VAL 33 -11.751 -1.968 3.243
240 2HG1 VAL 33 HG12 VAL 33 -10.298 -1.004 2.996
241 3HG1 VAL 33 HG13 VAL 33 -11.874 -0.213 3.178
242 1HG2 VAL 33 HG21 VAL 33 -9.216 -2.128 5.028
243 2HG2 VAL 33 HG22 VAL 33 -10.678 -3.091 5.136
244 3HG2 VAL 33 HG23 VAL 33 -10.122 -2.215 6.545
245 1HG HSL 34 HG1 HSL 34 -12.286 4.287 10.093
246 2HG HSL 34 HG2 HSL 34 -11.396 3.308 11.278
247 H HSL 34 HN HSL 34 -12.128 1.548 6.771
248 HA HSL 34 HA HSL 34 -11.040 0.580 9.519
249 1HB HSL 34 HB1 HSL 34 -10.123 2.653 9.553
250 2HB HSL 34 HB2 HSL 34 -11.268 3.290 8.367
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 4.051 2.057 -12.843
2 2H ALA 1 HT2 ALA 1 4.616 1.967 -11.252
3 3H ALA 1 HT3 ALA 1 3.615 3.257 -11.738
4 HA ALA 1 HA ALA 1 1.803 1.732 -12.175
5 1HB ALA 1 HB1 ALA 1 3.652 -0.392 -11.052
6 2HB ALA 1 HB2 ALA 1 3.145 -0.215 -12.728
7 3HB ALA 1 HB3 ALA 1 1.951 -0.622 -11.501
8 H CYS 2 HN CYS 2 0.319 2.021 -10.757
9 HA CYS 2 HA CYS 2 1.054 3.048 -8.131
10 1HB CYS 2 HB2 CYS 2 -0.659 4.108 -9.574
11 2HB CYS 2 HB1 CYS 2 -1.696 2.702 -9.398
12 H GLY 3 HN GLY 3 0.731 2.115 -6.257
13 1HA GLY 3 HA2 GLY 3 0.460 -0.688 -6.035
14 2HA GLY 3 HA1 GLY 3 0.450 0.449 -4.723
15 H ILE 4 HN ILE 4 -1.360 -1.655 -6.489
16 HA ILE 4 HA ILE 4 -3.962 -0.440 -5.907
17 HB ILE 4 HB ILE 4 -4.867 -2.488 -7.128
18 1HG1 ILE 4 HG12 ILE 4 -1.937 -2.874 -7.831
19 2HG1 ILE 4 HG11 ILE 4 -2.878 -3.967 -6.807
20 1HG2 ILE 4 HG21 ILE 4 -2.983 -0.717 -8.691
21 2HG2 ILE 4 HG22 ILE 4 -4.599 -0.264 -8.130
22 3HG2 ILE 4 HG23 ILE 4 -4.416 -1.575 -9.279
23 1HD1 ILE 4 HD11 ILE 4 -3.272 -3.394 -9.733
24 2HD1 ILE 4 HD12 ILE 4 -4.376 -4.369 -8.749
25 3HD1 ILE 4 HD13 ILE 4 -2.704 -4.874 -8.969
26 H LEU 5 HN LEU 5 -5.603 -2.328 -5.442
27 HA LEU 5 HA LEU 5 -5.914 -2.231 -2.850
28 1HB LEU 5 HB2 LEU 5 -7.545 -3.958 -2.937
29 2HB LEU 5 HB1 LEU 5 -7.569 -3.062 -4.439
30 HG LEU 5 HG LEU 5 -6.200 -5.743 -4.165
31 1HD1 LEU 5 HD11 LEU 5 -8.112 -6.710 -5.227
32 2HD1 LEU 5 HD12 LEU 5 -8.955 -5.162 -5.220
33 3HD1 LEU 5 HD13 LEU 5 -8.579 -5.982 -3.693
34 1HD2 LEU 5 HD21 LEU 5 -6.993 -4.085 -6.566
35 2HD2 LEU 5 HD22 LEU 5 -6.409 -5.746 -6.621
36 3HD2 LEU 5 HD23 LEU 5 -5.347 -4.477 -6.047
37 H HIS 6 HN HIS 6 -4.031 -4.854 -4.344
38 HA HIS 6 HA HIS 6 -2.998 -5.496 -1.646
39 1HB HIS 6 HB2 HIS 6 -3.367 -7.850 -1.884
40 2HB HIS 6 HB1 HIS 6 -4.895 -7.041 -2.174
41 HD1 HIS 6 HD1 HIS 6 -2.096 -8.734 -4.104
42 HD2 HIS 6 HD2 HIS 6 -6.100 -7.733 -4.526
43 HE1 HIS 6 HE1 HIS 6 -2.806 -9.694 -6.300
44 HE2 HIS 6 HE2 HIS 6 -5.198 -8.962 -6.601
45 H ASP 7 HN ASP 7 -1.898 -4.053 -3.848
46 HA ASP 7 HA ASP 7 -0.113 -5.817 -5.254
47 1HB ASP 7 HB2 ASP 7 -0.862 -3.643 -6.150
48 2HB ASP 7 HB1 ASP 7 0.090 -2.778 -4.977
49 H ASN 8 HN ASN 8 1.887 -6.332 -4.814
50 HA ASN 8 HA ASN 8 2.625 -6.267 -2.040
51 1HB ASN 8 HB2 ASN 8 4.016 -7.523 -4.388
52 2HB ASN 8 HB1 ASN 8 4.463 -7.767 -2.693
53 1HD2 ASN 8 HD21 ASN 8 3.669 -9.753 -4.656
54 2HD2 ASN 8 HD22 ASN 8 2.259 -10.504 -4.000
55 H CYS 9 HN CYS 9 3.911 -4.974 -1.070
56 HA CYS 9 HA CYS 9 6.073 -3.562 -2.274
57 1HB CYS 9 HB2 CYS 9 5.070 -1.270 -1.852
58 2HB CYS 9 HB1 CYS 9 4.330 -2.172 -3.161
59 H VAL 10 HN VAL 10 6.804 -1.770 -0.735
60 HA VAL 10 HA VAL 10 6.808 -2.890 2.020
61 HB VAL 10 HB VAL 10 8.796 -1.013 0.682
62 1HG1 VAL 10 HG11 VAL 10 10.183 -1.715 2.688
63 2HG1 VAL 10 HG12 VAL 10 8.695 -2.298 3.425
64 3HG1 VAL 10 HG13 VAL 10 8.881 -0.586 3.013
65 1HG2 VAL 10 HG21 VAL 10 9.045 -3.967 1.313
66 2HG2 VAL 10 HG22 VAL 10 10.293 -2.913 0.651
67 3HG2 VAL 10 HG23 VAL 10 8.857 -3.262 -0.302
68 H TYR 11 HN TYR 11 6.461 -1.679 3.726
69 HA TYR 11 HA TYR 11 4.560 0.456 3.444
70 1HB TYR 11 HB2 TYR 11 4.744 -1.299 5.310
71 2HB TYR 11 HB1 TYR 11 6.002 -0.310 5.985
72 HD1 TYR 11 HD1 TYR 11 5.107 2.395 5.859
73 HD2 TYR 11 HD2 TYR 11 2.803 -1.078 6.636
74 HE1 TYR 11 HE1 TYR 11 3.469 3.765 6.991
75 HE2 TYR 11 HE2 TYR 11 1.118 0.281 7.720
76 HH TYR 11 HH TYR 11 1.324 2.726 9.040
77 H VAL 12 HN VAL 12 5.782 1.868 2.171
78 HA VAL 12 HA VAL 12 7.479 3.669 3.822
79 HB VAL 12 HB VAL 12 8.835 2.754 2.071
80 1HG1 VAL 12 HG11 VAL 12 6.989 3.922 -0.011
81 2HG1 VAL 12 HG12 VAL 12 6.926 2.233 0.476
82 3HG1 VAL 12 HG13 VAL 12 8.387 2.890 -0.219
83 1HG2 VAL 12 HG21 VAL 12 8.141 5.574 1.250
84 2HG2 VAL 12 HG22 VAL 12 9.687 4.747 1.190
85 3HG2 VAL 12 HG23 VAL 12 9.007 5.196 2.747
86 HA PRO 13 HA PRO 13 3.429 5.615 3.219
87 1HB PRO 13 HB2 PRO 13 3.682 7.315 5.357
88 2HB PRO 13 HB1 PRO 13 3.181 5.628 5.463
89 1HG PRO 13 HG2 PRO 13 5.882 6.812 5.974
90 2HG PRO 13 HG1 PRO 13 4.989 5.584 6.886
91 1HD PRO 13 HD2 PRO 13 6.970 4.984 5.201
92 2HD PRO 13 HD1 PRO 13 5.609 3.903 5.465
93 H ALA 14 HN ALA 14 6.396 7.386 3.999
94 HA ALA 14 HA ALA 14 5.567 9.957 3.276
95 1HB ALA 14 HB1 ALA 14 7.554 9.475 4.595
96 2HB ALA 14 HB2 ALA 14 7.941 10.515 3.229
97 3HB ALA 14 HB3 ALA 14 8.364 8.792 3.189
98 H GLN 15 HN GLN 15 6.891 7.310 1.432
99 HA GLN 15 HA GLN 15 6.323 8.799 -1.097
100 1HB GLN 15 HB2 GLN 15 8.625 6.932 -0.409
101 2HB GLN 15 HB1 GLN 15 8.242 7.476 -2.056
102 1HG GLN 15 HG2 GLN 15 8.657 9.791 -1.404
103 2HG GLN 15 HG1 GLN 15 9.005 9.282 0.254
104 1HE2 GLN 15 HE21 GLN 15 10.659 10.682 -1.764
105 2HE2 GLN 15 HE22 GLN 15 12.081 9.709 -1.886
106 H ASN 16 HN ASN 16 4.439 7.441 0.170
107 HA ASN 16 HA ASN 16 4.223 4.692 -0.362
108 1HB ASN 16 HB2 ASN 16 2.808 5.807 1.245
109 2HB ASN 16 HB1 ASN 16 2.041 6.769 0.002
110 1HD2 ASN 16 HD21 ASN 16 -0.008 5.962 0.573
111 2HD2 ASN 16 HD22 ASN 16 -0.464 4.343 0.203
112 HA PRO 17 HA PRO 17 3.645 5.128 -4.801
113 1HB PRO 17 HB2 PRO 17 4.297 2.603 -5.416
114 2HB PRO 17 HB1 PRO 17 5.502 3.753 -4.832
115 1HG PRO 17 HG2 PRO 17 4.101 1.583 -3.310
116 2HG PRO 17 HG1 PRO 17 5.813 2.046 -3.307
117 1HD PRO 17 HD2 PRO 17 3.979 2.828 -1.417
118 2HD PRO 17 HD1 PRO 17 5.505 3.669 -1.778
119 H CYS 18 HN CYS 18 1.928 3.524 -2.456
120 HA CYS 18 HA CYS 18 0.088 2.098 -4.059
121 1HB CYS 18 HB2 CYS 18 0.807 1.737 -1.593
122 2HB CYS 18 HB1 CYS 18 -0.398 2.941 -1.218
123 H CYS 19 HN CYS 19 -1.967 2.585 -4.506
124 HA CYS 19 HA CYS 19 -2.491 5.245 -5.297
125 1HB CYS 19 HB2 CYS 19 -4.395 2.904 -4.964
126 2HB CYS 19 HB1 CYS 19 -4.783 4.404 -5.802
127 H ARG 20 HN ARG 20 -3.819 6.748 -4.612
128 HA ARG 20 HA ARG 20 -3.785 7.192 -1.785
129 1HB ARG 20 HB2 ARG 20 -5.335 8.667 -3.958
130 2HB ARG 20 HB1 ARG 20 -5.046 9.269 -2.321
131 1HG ARG 20 HG2 ARG 20 -3.033 8.824 -4.528
132 2HG ARG 20 HG1 ARG 20 -3.549 10.345 -3.802
133 1HD ARG 20 HD2 ARG 20 -1.922 8.160 -2.497
134 2HD ARG 20 HD1 ARG 20 -1.400 9.765 -2.959
135 HE ARG 20 HE ARG 20 -3.252 10.519 -1.282
136 1HH1 ARG 20 HH11 ARG 20 -0.872 7.944 -0.900
137 2HH1 ARG 20 HH12 ARG 20 -0.948 8.006 0.811
138 1HH2 ARG 20 HH21 ARG 20 -3.320 10.559 0.976
139 2HH2 ARG 20 HH22 ARG 20 -2.316 9.483 1.892
140 H GLY 21 HN GLY 21 -5.025 6.527 -0.320
141 1HA GLY 21 HA2 GLY 21 -7.186 6.091 0.578
142 2HA GLY 21 HA1 GLY 21 -7.770 5.567 -0.993
143 H LEU 22 HN LEU 22 -4.737 4.410 -0.822
144 HA LEU 22 HA LEU 22 -5.440 1.930 0.656
145 1HB LEU 22 HB2 LEU 22 -3.815 2.125 -1.891
146 2HB LEU 22 HB1 LEU 22 -4.254 0.642 -1.038
147 HG LEU 22 HG LEU 22 -6.156 2.521 -2.482
148 1HD1 LEU 22 HD11 LEU 22 -5.234 -0.239 -3.250
149 2HD1 LEU 22 HD12 LEU 22 -4.615 1.239 -3.966
150 3HD1 LEU 22 HD13 LEU 22 -6.312 0.816 -4.145
151 1HD2 LEU 22 HD21 LEU 22 -7.220 1.329 -0.557
152 2HD2 LEU 22 HD22 LEU 22 -6.662 -0.187 -1.258
153 3HD2 LEU 22 HD23 LEU 22 -7.815 0.811 -2.120
154 H GLN 23 HN GLN 23 -4.010 1.269 2.034
155 HA GLN 23 HA GLN 23 -1.430 2.767 2.186
156 1HB GLN 23 HB2 GLN 23 -3.152 1.556 4.334
157 2HB GLN 23 HB1 GLN 23 -1.503 2.082 4.663
158 1HG GLN 23 HG2 GLN 23 -3.796 3.790 3.705
159 2HG GLN 23 HG1 GLN 23 -3.216 3.698 5.360
160 1HE2 GLN 23 HE21 GLN 23 -1.186 4.682 5.836
161 2HE2 GLN 23 HE22 GLN 23 -0.512 5.842 4.747
162 H CYS 24 HN CYS 24 0.229 1.788 1.713
163 HA CYS 24 HA CYS 24 0.317 -1.073 1.365
164 1HB CYS 24 HB2 CYS 24 1.442 0.311 -0.236
165 2HB CYS 24 HB1 CYS 24 2.392 1.070 1.007
166 H ARG 25 HN ARG 25 0.624 -2.405 2.873
167 HA ARG 25 HA ARG 25 2.254 -1.694 5.210
168 1HB ARG 25 HB2 ARG 25 0.152 -3.763 4.676
169 2HB ARG 25 HB1 ARG 25 1.321 -4.036 5.961
170 1HG ARG 25 HG2 ARG 25 -0.642 -3.124 6.915
171 2HG ARG 25 HG1 ARG 25 0.638 -1.922 7.045
172 1HD ARG 25 HD2 ARG 25 -0.316 -0.734 5.103
173 2HD ARG 25 HD1 ARG 25 -1.567 -1.973 4.978
174 HE ARG 25 HE ARG 25 -1.261 -0.385 7.461
175 1HH1 ARG 25 HH11 ARG 25 -3.112 -0.998 4.556
176 2HH1 ARG 25 HH12 ARG 25 -4.548 -0.342 5.173
177 1HH2 ARG 25 HH21 ARG 25 -3.116 0.665 8.203
178 2HH2 ARG 25 HH22 ARG 25 -4.546 0.679 7.243
179 H TYR 26 HN TYR 26 3.615 -3.379 6.081
180 HA TYR 26 HA TYR 26 5.700 -3.858 4.247
181 1HB TYR 26 HB2 TYR 26 5.145 -4.985 6.999
182 2HB TYR 26 HB1 TYR 26 6.614 -5.377 6.100
183 HD1 TYR 26 HD1 TYR 26 8.147 -3.470 5.384
184 HD2 TYR 26 HD2 TYR 26 5.011 -2.974 8.255
185 HE1 TYR 26 HE1 TYR 26 9.230 -1.446 6.227
186 HE2 TYR 26 HE2 TYR 26 6.107 -0.950 9.088
187 HH TYR 26 HH TYR 26 8.747 -0.105 9.030
188 H GLY 27 HN GLY 27 4.885 -4.832 2.514
189 1HA GLY 27 HA2 GLY 27 5.288 -7.289 1.825
190 2HA GLY 27 HA1 GLY 27 3.816 -7.593 2.746
191 H LYS 28 HN LYS 28 2.246 -5.482 2.173
192 HA LYS 28 HA LYS 28 2.079 -4.967 -0.650
193 1HB LYS 28 HB2 LYS 28 0.125 -6.254 -1.177
194 2HB LYS 28 HB1 LYS 28 1.323 -7.352 -0.514
195 1HG LYS 28 HG2 LYS 28 0.213 -7.319 1.661
196 2HG LYS 28 HG1 LYS 28 -1.008 -6.185 1.038
197 1HD LYS 28 HD2 LYS 28 -1.642 -7.898 -0.667
198 2HD LYS 28 HD1 LYS 28 -0.532 -9.029 0.121
199 1HE LYS 28 HE2 LYS 28 -1.821 -8.731 2.233
200 2HE LYS 28 HE1 LYS 28 -2.971 -7.722 1.336
201 1HZ LYS 28 HZ1 LYS 28 -3.723 -9.977 1.539
202 2HZ LYS 28 HZ2 LYS 28 -2.349 -10.581 0.768
203 3HZ LYS 28 HZ3 LYS 28 -3.460 -9.616 -0.090
204 H CYS 29 HN CYS 29 -0.032 -4.058 -1.237
205 HA CYS 29 HA CYS 29 -0.746 -1.989 0.602
206 1HB CYS 29 HB2 CYS 29 -1.627 -2.784 -2.119
207 2HB CYS 29 HB1 CYS 29 -2.503 -1.527 -1.249
208 H LEU 30 HN LEU 30 -2.493 -1.689 1.706
209 HA LEU 30 HA LEU 30 -4.624 -3.757 1.610
210 1HB LEU 30 HB2 LEU 30 -3.589 -2.294 4.028
211 2HB LEU 30 HB1 LEU 30 -4.963 -3.370 4.033
212 HG LEU 30 HG LEU 30 -2.064 -4.105 3.542
213 1HD1 LEU 30 HD11 LEU 30 -2.747 -3.555 5.909
214 2HD1 LEU 30 HD12 LEU 30 -2.153 -5.180 5.635
215 3HD1 LEU 30 HD13 LEU 30 -3.882 -4.902 5.816
216 1HD2 LEU 30 HD21 LEU 30 -4.574 -5.807 3.524
217 2HD2 LEU 30 HD22 LEU 30 -2.934 -6.433 3.635
218 3HD2 LEU 30 HD23 LEU 30 -3.432 -5.578 2.200
219 H VAL 31 HN VAL 31 -6.629 -3.078 1.892
220 HA VAL 31 HA VAL 31 -7.072 -0.511 0.634
221 HB VAL 31 HB VAL 31 -9.433 -1.225 0.475
222 1HG1 VAL 31 HG11 VAL 31 -7.381 -3.177 -0.555
223 2HG1 VAL 31 HG12 VAL 31 -7.987 -1.724 -1.363
224 3HG1 VAL 31 HG13 VAL 31 -9.057 -3.082 -1.087
225 1HG2 VAL 31 HG21 VAL 31 -8.418 -3.703 1.905
226 2HG2 VAL 31 HG22 VAL 31 -9.925 -3.615 1.016
227 3HG2 VAL 31 HG23 VAL 31 -9.708 -2.616 2.432
228 H GLN 32 HN GLN 32 -7.311 1.248 1.623
229 HA GLN 32 HA GLN 32 -8.435 1.350 4.360
230 1HB GLN 32 HB2 GLN 32 -7.368 3.556 2.577
231 2HB GLN 32 HB1 GLN 32 -7.914 3.776 4.211
232 1HG GLN 32 HG2 GLN 32 -5.500 2.216 3.284
233 2HG GLN 32 HG1 GLN 32 -5.594 3.757 4.132
234 1HE2 GLN 32 HE21 GLN 32 -6.187 3.833 6.325
235 2HE2 GLN 32 HE22 GLN 32 -6.101 2.407 7.295
236 H VAL 33 HN VAL 33 -8.915 2.762 1.196
237 HA VAL 33 HA VAL 33 -11.731 3.399 1.870
238 HB VAL 33 HB VAL 33 -10.115 4.187 -0.583
239 1HG1 VAL 33 HG11 VAL 33 -12.874 4.956 0.417
240 2HG1 VAL 33 HG12 VAL 33 -12.432 4.241 -1.144
241 3HG1 VAL 33 HG13 VAL 33 -11.968 5.888 -0.771
242 1HG2 VAL 33 HG21 VAL 33 -9.177 5.195 1.449
243 2HG2 VAL 33 HG22 VAL 33 -10.778 5.828 1.874
244 3HG2 VAL 33 HG23 VAL 33 -9.963 6.382 0.413
245 1HG HSL 34 HG1 HSL 34 -13.122 -2.969 -0.311
246 2HG HSL 34 HG2 HSL 34 -12.655 -3.189 1.388
247 H HSL 34 HN HSL 34 -12.334 1.283 1.939
248 HA HSL 34 HA HSL 34 -13.039 0.293 -0.444
249 1HB HSL 34 HB1 HSL 34 -11.384 -1.346 1.373
250 2HB HSL 34 HB2 HSL 34 -11.527 -1.395 -0.388
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 3.045 3.670 -12.207
2 2H ALA 1 HT2 ALA 1 1.897 4.900 -11.941
3 3H ALA 1 HT3 ALA 1 1.892 4.040 -13.390
4 HA ALA 1 HA ALA 1 0.101 3.291 -12.028
5 1HB ALA 1 HB1 ALA 1 1.175 1.710 -13.520
6 2HB ALA 1 HB2 ALA 1 0.582 0.887 -12.082
7 3HB ALA 1 HB3 ALA 1 2.313 1.234 -12.263
8 H CYS 2 HN CYS 2 -0.711 3.053 -10.137
9 HA CYS 2 HA CYS 2 1.025 3.288 -7.766
10 1HB CYS 2 HB2 CYS 2 -0.964 3.873 -6.608
11 2HB CYS 2 HB1 CYS 2 -0.994 4.738 -8.112
12 H GLY 3 HN GLY 3 0.894 1.862 -6.068
13 1HA GLY 3 HA2 GLY 3 0.364 -0.835 -6.405
14 2HA GLY 3 HA1 GLY 3 0.445 0.002 -4.858
15 H ILE 4 HN ILE 4 -1.403 -2.044 -6.077
16 HA ILE 4 HA ILE 4 -3.993 -0.677 -5.678
17 HB ILE 4 HB ILE 4 -4.939 -2.661 -6.987
18 1HG1 ILE 4 HG12 ILE 4 -2.027 -2.975 -7.775
19 2HG1 ILE 4 HG11 ILE 4 -2.957 -4.140 -6.812
20 1HG2 ILE 4 HG21 ILE 4 -4.721 -0.382 -7.845
21 2HG2 ILE 4 HG22 ILE 4 -4.571 -1.619 -9.077
22 3HG2 ILE 4 HG23 ILE 4 -3.123 -0.789 -8.486
23 1HD1 ILE 4 HD11 ILE 4 -3.402 -3.381 -9.683
24 2HD1 ILE 4 HD12 ILE 4 -4.478 -4.426 -8.740
25 3HD1 ILE 4 HD13 ILE 4 -2.808 -4.902 -9.028
26 H LEU 5 HN LEU 5 -5.671 -2.543 -5.332
27 HA LEU 5 HA LEU 5 -5.962 -2.577 -2.732
28 1HB LEU 5 HB2 LEU 5 -7.625 -4.383 -2.906
29 2HB LEU 5 HB1 LEU 5 -7.786 -3.115 -4.095
30 HG LEU 5 HG LEU 5 -6.378 -5.687 -4.836
31 1HD1 LEU 5 HD11 LEU 5 -8.553 -6.319 -3.879
32 2HD1 LEU 5 HD12 LEU 5 -8.474 -6.568 -5.619
33 3HD1 LEU 5 HD13 LEU 5 -9.357 -5.183 -4.978
34 1HD2 LEU 5 HD21 LEU 5 -7.623 -3.368 -6.295
35 2HD2 LEU 5 HD22 LEU 5 -7.563 -4.965 -7.039
36 3HD2 LEU 5 HD23 LEU 5 -6.083 -4.191 -6.535
37 H HIS 6 HN HIS 6 -4.270 -5.185 -4.407
38 HA HIS 6 HA HIS 6 -3.111 -5.938 -1.784
39 1HB HIS 6 HB2 HIS 6 -3.538 -8.300 -2.112
40 2HB HIS 6 HB1 HIS 6 -5.062 -7.429 -2.186
41 HD1 HIS 6 HD1 HIS 6 -2.554 -9.089 -4.494
42 HD2 HIS 6 HD2 HIS 6 -6.529 -7.867 -4.449
43 HE1 HIS 6 HE1 HIS 6 -3.532 -9.923 -6.635
44 HE2 HIS 6 HE2 HIS 6 -5.968 -9.283 -6.538
45 H ASP 7 HN ASP 7 -1.999 -4.417 -3.773
46 HA ASP 7 HA ASP 7 -0.155 -6.188 -5.232
47 1HB ASP 7 HB2 ASP 7 -1.120 -4.127 -6.248
48 2HB ASP 7 HB1 ASP 7 -0.160 -3.138 -5.188
49 H ASN 8 HN ASN 8 1.954 -6.281 -4.863
50 HA ASN 8 HA ASN 8 2.678 -6.198 -2.104
51 1HB ASN 8 HB2 ASN 8 4.730 -7.266 -2.759
52 2HB ASN 8 HB1 ASN 8 3.407 -7.949 -3.692
53 1HD2 ASN 8 HD21 ASN 8 6.340 -6.109 -3.824
54 2HD2 ASN 8 HD22 ASN 8 6.418 -6.032 -5.548
55 H CYS 9 HN CYS 9 3.931 -4.864 -1.020
56 HA CYS 9 HA CYS 9 5.809 -3.063 -2.174
57 1HB CYS 9 HB2 CYS 9 4.757 -0.975 -1.817
58 2HB CYS 9 HB1 CYS 9 3.580 -1.914 -2.690
59 H VAL 10 HN VAL 10 6.505 -1.420 -0.521
60 HA VAL 10 HA VAL 10 6.708 -2.788 2.124
61 HB VAL 10 HB VAL 10 8.616 -0.779 0.859
62 1HG1 VAL 10 HG11 VAL 10 8.714 -2.405 3.418
63 2HG1 VAL 10 HG12 VAL 10 8.810 -0.645 3.232
64 3HG1 VAL 10 HG13 VAL 10 10.126 -1.659 2.677
65 1HG2 VAL 10 HG21 VAL 10 8.915 -3.783 1.098
66 2HG2 VAL 10 HG22 VAL 10 10.114 -2.639 0.498
67 3HG2 VAL 10 HG23 VAL 10 8.621 -2.884 -0.401
68 H TYR 11 HN TYR 11 6.456 -1.654 3.928
69 HA TYR 11 HA TYR 11 4.524 0.443 3.858
70 1HB TYR 11 HB2 TYR 11 4.595 -1.167 5.661
71 2HB TYR 11 HB1 TYR 11 6.183 -0.627 6.137
72 HD1 TYR 11 HD1 TYR 11 6.372 1.024 7.811
73 HD2 TYR 11 HD2 TYR 11 2.673 0.621 5.719
74 HE1 TYR 11 HE1 TYR 11 5.329 2.638 9.323
75 HE2 TYR 11 HE2 TYR 11 1.641 2.238 7.219
76 HH TYR 11 HH TYR 11 3.157 4.332 9.011
77 H VAL 12 HN VAL 12 5.540 1.877 2.497
78 HA VAL 12 HA VAL 12 7.293 3.791 3.954
79 HB VAL 12 HB VAL 12 8.302 4.419 1.783
80 1HG1 VAL 12 HG11 VAL 12 9.863 2.596 1.653
81 2HG1 VAL 12 HG12 VAL 12 8.778 1.549 2.565
82 3HG1 VAL 12 HG13 VAL 12 9.501 2.973 3.334
83 1HG2 VAL 12 HG21 VAL 12 6.792 2.011 0.766
84 2HG2 VAL 12 HG22 VAL 12 8.213 2.638 -0.022
85 3HG2 VAL 12 HG23 VAL 12 6.793 3.639 0.120
86 HA PRO 13 HA PRO 13 3.135 5.539 2.937
87 1HB PRO 13 HB2 PRO 13 3.255 7.294 5.100
88 2HB PRO 13 HB1 PRO 13 2.561 5.675 5.117
89 1HG PRO 13 HG2 PRO 13 5.259 6.569 6.030
90 2HG PRO 13 HG1 PRO 13 4.136 5.412 6.768
91 1HD PRO 13 HD2 PRO 13 6.272 4.626 5.416
92 2HD PRO 13 HD1 PRO 13 4.759 3.694 5.352
93 H ALA 14 HN ALA 14 6.047 7.200 4.047
94 HA ALA 14 HA ALA 14 5.425 9.749 2.956
95 1HB ALA 14 HB1 ALA 14 7.763 10.279 3.418
96 2HB ALA 14 HB2 ALA 14 8.119 8.559 3.676
97 3HB ALA 14 HB3 ALA 14 7.021 9.409 4.757
98 H GLN 15 HN GLN 15 6.815 6.853 1.720
99 HA GLN 15 HA GLN 15 7.240 8.117 -0.924
100 1HB GLN 15 HB2 GLN 15 8.546 5.775 0.466
101 2HB GLN 15 HB1 GLN 15 8.749 6.033 -1.255
102 1HG GLN 15 HG2 GLN 15 9.517 8.031 0.900
103 2HG GLN 15 HG1 GLN 15 10.595 6.826 0.202
104 1HE2 GLN 15 HE21 GLN 15 11.988 8.423 -0.602
105 2HE2 GLN 15 HE22 GLN 15 11.541 9.369 -1.977
106 H ASN 16 HN ASN 16 4.743 7.387 0.041
107 HA ASN 16 HA ASN 16 3.892 4.801 -0.426
108 1HB ASN 16 HB2 ASN 16 2.621 6.617 0.699
109 2HB ASN 16 HB1 ASN 16 2.217 7.305 -0.855
110 1HD2 ASN 16 HD21 ASN 16 0.333 6.415 1.078
111 2HD2 ASN 16 HD22 ASN 16 -0.481 5.050 0.401
112 HA PRO 17 HA PRO 17 4.051 4.942 -4.959
113 1HB PRO 17 HB2 PRO 17 4.778 2.373 -5.256
114 2HB PRO 17 HB1 PRO 17 5.900 3.595 -4.660
115 1HG PRO 17 HG2 PRO 17 4.541 1.432 -3.176
116 2HG PRO 17 HG1 PRO 17 6.092 2.223 -2.856
117 1HD PRO 17 HD2 PRO 17 3.543 2.760 -1.658
118 2HD PRO 17 HD1 PRO 17 5.118 3.518 -1.344
119 H CYS 18 HN CYS 18 1.908 3.981 -2.806
120 HA CYS 18 HA CYS 18 0.266 2.267 -4.501
121 1HB CYS 18 HB2 CYS 18 0.984 1.740 -2.100
122 2HB CYS 18 HB1 CYS 18 -0.223 2.902 -1.600
123 H CYS 19 HN CYS 19 -1.943 2.730 -4.692
124 HA CYS 19 HA CYS 19 -2.462 5.474 -5.239
125 1HB CYS 19 HB2 CYS 19 -3.996 2.960 -5.360
126 2HB CYS 19 HB1 CYS 19 -4.991 4.382 -5.076
127 H ARG 20 HN ARG 20 -3.516 6.963 -4.261
128 HA ARG 20 HA ARG 20 -3.264 7.066 -1.431
129 1HB ARG 20 HB2 ARG 20 -3.009 8.988 -2.929
130 2HB ARG 20 HB1 ARG 20 -4.731 8.960 -3.313
131 1HG ARG 20 HG2 ARG 20 -5.321 9.568 -1.071
132 2HG ARG 20 HG1 ARG 20 -3.666 9.320 -0.491
133 1HD ARG 20 HD2 ARG 20 -2.919 11.185 -1.920
134 2HD ARG 20 HD1 ARG 20 -4.571 11.409 -2.473
135 HE ARG 20 HE ARG 20 -5.241 12.100 -0.295
136 1HH1 ARG 20 HH11 ARG 20 -1.743 11.811 -0.686
137 2HH1 ARG 20 HH12 ARG 20 -1.416 12.953 0.548
138 1HH2 ARG 20 HH21 ARG 20 -4.740 13.595 1.358
139 2HH2 ARG 20 HH22 ARG 20 -3.086 13.961 1.718
140 H GLY 21 HN GLY 21 -4.450 5.998 -0.147
141 1HA GLY 21 HA2 GLY 21 -6.771 5.988 0.802
142 2HA GLY 21 HA1 GLY 21 -7.327 5.471 -0.786
143 H LEU 22 HN LEU 22 -4.489 4.066 -0.736
144 HA LEU 22 HA LEU 22 -5.403 1.663 0.759
145 1HB LEU 22 HB2 LEU 22 -3.634 1.877 -1.684
146 2HB LEU 22 HB1 LEU 22 -3.969 0.380 -0.814
147 HG LEU 22 HG LEU 22 -6.440 0.808 -1.396
148 1HD1 LEU 22 HD11 LEU 22 -6.580 2.133 -3.600
149 2HD1 LEU 22 HD12 LEU 22 -5.122 2.925 -3.059
150 3HD1 LEU 22 HD13 LEU 22 -6.579 3.013 -2.100
151 1HD2 LEU 22 HD21 LEU 22 -6.231 -0.283 -3.457
152 2HD2 LEU 22 HD22 LEU 22 -4.883 -0.838 -2.470
153 3HD2 LEU 22 HD23 LEU 22 -4.610 0.351 -3.748
154 H GLN 23 HN GLN 23 -4.258 0.945 2.268
155 HA GLN 23 HA GLN 23 -1.925 2.418 3.184
156 1HB GLN 23 HB2 GLN 23 -3.337 -0.015 4.357
157 2HB GLN 23 HB1 GLN 23 -2.060 0.946 5.136
158 1HG GLN 23 HG2 GLN 23 -3.524 2.892 5.202
159 2HG GLN 23 HG1 GLN 23 -4.790 2.002 4.343
160 1HE2 GLN 23 HE21 GLN 23 -2.756 0.518 6.849
161 2HE2 GLN 23 HE22 GLN 23 -4.043 0.375 7.963
162 H CYS 24 HN CYS 24 -0.361 2.033 1.764
163 HA CYS 24 HA CYS 24 0.571 -0.552 1.007
164 1HB CYS 24 HB2 CYS 24 1.198 1.342 -0.262
165 2HB CYS 24 HB1 CYS 24 1.971 2.125 1.080
166 H ARG 25 HN ARG 25 0.868 -1.930 2.526
167 HA ARG 25 HA ARG 25 2.461 -1.178 4.928
168 1HB ARG 25 HB2 ARG 25 0.082 -1.696 5.299
169 2HB ARG 25 HB1 ARG 25 0.298 -3.289 4.578
170 1HG ARG 25 HG2 ARG 25 1.650 -4.029 6.389
171 2HG ARG 25 HG1 ARG 25 1.839 -2.389 7.033
172 1HD ARG 25 HD2 ARG 25 -0.408 -2.287 7.703
173 2HD ARG 25 HD1 ARG 25 -0.851 -3.720 6.791
174 HE ARG 25 HE ARG 25 0.592 -5.021 8.337
175 1HH1 ARG 25 HH11 ARG 25 -0.822 -1.969 9.422
176 2HH1 ARG 25 HH12 ARG 25 -0.918 -2.493 11.050
177 1HH2 ARG 25 HH21 ARG 25 0.439 -5.649 10.509
178 2HH2 ARG 25 HH22 ARG 25 -0.211 -4.555 11.685
179 H TYR 26 HN TYR 26 3.595 -2.992 5.897
180 HA TYR 26 HA TYR 26 5.599 -3.890 4.288
181 1HB TYR 26 HB2 TYR 26 4.558 -5.132 6.848
182 2HB TYR 26 HB1 TYR 26 6.078 -5.607 6.083
183 HD1 TYR 26 HD1 TYR 26 7.761 -3.635 5.585
184 HD2 TYR 26 HD2 TYR 26 4.609 -3.472 8.478
185 HE1 TYR 26 HE1 TYR 26 8.946 -1.861 6.789
186 HE2 TYR 26 HE2 TYR 26 5.801 -1.699 9.668
187 HH TYR 26 HH TYR 26 7.525 0.054 9.180
188 H GLY 27 HN GLY 27 5.206 -4.823 2.446
189 1HA GLY 27 HA2 GLY 27 5.349 -7.021 1.501
190 2HA GLY 27 HA1 GLY 27 4.044 -7.574 2.530
191 H LYS 28 HN LYS 28 2.378 -5.223 2.130
192 HA LYS 28 HA LYS 28 1.724 -5.158 -0.673
193 1HB LYS 28 HB2 LYS 28 -0.432 -6.331 -0.468
194 2HB LYS 28 HB1 LYS 28 0.938 -7.391 -0.145
195 1HG LYS 28 HG2 LYS 28 0.595 -7.259 2.235
196 2HG LYS 28 HG1 LYS 28 -0.707 -6.066 2.038
197 1HD LYS 28 HD2 LYS 28 -2.056 -7.725 0.832
198 2HD LYS 28 HD1 LYS 28 -0.763 -8.924 1.024
199 1HE LYS 28 HE2 LYS 28 -1.013 -8.892 3.409
200 2HE LYS 28 HE1 LYS 28 -2.165 -7.574 3.333
201 1HZ LYS 28 HZ1 LYS 28 -3.257 -9.667 3.639
202 2HZ LYS 28 HZ2 LYS 28 -2.567 -10.310 2.239
203 3HZ LYS 28 HZ3 LYS 28 -3.697 -9.041 2.133
204 H CYS 29 HN CYS 29 -0.064 -3.982 -1.192
205 HA CYS 29 HA CYS 29 -0.756 -1.837 0.610
206 1HB CYS 29 HB2 CYS 29 -1.656 -2.623 -2.137
207 2HB CYS 29 HB1 CYS 29 -2.404 -1.275 -1.281
208 H LEU 30 HN LEU 30 -2.489 -1.628 1.768
209 HA LEU 30 HA LEU 30 -4.638 -3.658 1.545
210 1HB LEU 30 HB2 LEU 30 -3.546 -2.314 4.036
211 2HB LEU 30 HB1 LEU 30 -5.008 -3.305 3.994
212 HG LEU 30 HG LEU 30 -2.202 -4.282 3.386
213 1HD1 LEU 30 HD11 LEU 30 -2.638 -3.696 5.773
214 2HD1 LEU 30 HD12 LEU 30 -2.319 -5.401 5.480
215 3HD1 LEU 30 HD13 LEU 30 -3.971 -4.861 5.771
216 1HD2 LEU 30 HD21 LEU 30 -3.707 -6.480 3.836
217 2HD2 LEU 30 HD22 LEU 30 -3.366 -5.830 2.241
218 3HD2 LEU 30 HD23 LEU 30 -4.903 -5.480 3.029
219 H VAL 31 HN VAL 31 -6.211 -2.816 0.661
220 HA VAL 31 HA VAL 31 -6.865 -0.039 0.646
221 HB VAL 31 HB VAL 31 -7.618 -1.495 -1.147
222 1HG1 VAL 31 HG11 VAL 31 -9.272 -3.186 -0.887
223 2HG1 VAL 31 HG12 VAL 31 -9.475 -2.856 0.822
224 3HG1 VAL 31 HG13 VAL 31 -7.970 -3.560 0.225
225 1HG2 VAL 31 HG21 VAL 31 -10.097 -0.562 0.313
226 2HG2 VAL 31 HG22 VAL 31 -9.797 -0.673 -1.413
227 3HG2 VAL 31 HG23 VAL 31 -8.962 0.552 -0.470
228 H GLN 32 HN GLN 32 -7.984 1.108 1.976
229 HA GLN 32 HA GLN 32 -8.682 0.060 4.584
230 1HB GLN 32 HB2 GLN 32 -9.380 2.364 5.104
231 2HB GLN 32 HB1 GLN 32 -7.757 2.255 4.421
232 1HG GLN 32 HG2 GLN 32 -8.591 3.006 2.251
233 2HG GLN 32 HG1 GLN 32 -10.223 3.091 2.862
234 1HE2 GLN 32 HE21 GLN 32 -10.421 5.267 2.396
235 2HE2 GLN 32 HE22 GLN 32 -9.582 6.452 3.332
236 H VAL 33 HN VAL 33 -10.049 -1.516 3.490
237 HA VAL 33 HA VAL 33 -12.654 -0.664 2.502
238 HB VAL 33 HB VAL 33 -11.528 -2.567 1.437
239 1HG1 VAL 33 HG11 VAL 33 -11.103 -4.620 2.487
240 2HG1 VAL 33 HG12 VAL 33 -11.904 -4.165 3.973
241 3HG1 VAL 33 HG13 VAL 33 -10.370 -3.416 3.527
242 1HG2 VAL 33 HG21 VAL 33 -14.048 -2.405 1.567
243 2HG2 VAL 33 HG22 VAL 33 -13.976 -3.603 2.869
244 3HG2 VAL 33 HG23 VAL 33 -13.374 -4.000 1.271
245 1HG HSL 34 HG1 HSL 34 -14.166 2.641 8.084
246 2HG HSL 34 HG2 HSL 34 -14.120 1.164 9.069
247 H HSL 34 HN HSL 34 -12.690 0.475 4.652
248 HA HSL 34 HA HSL 34 -13.496 -1.003 6.708
249 1HB HSL 34 HB1 HSL 34 -12.337 0.583 7.840
250 2HB HSL 34 HB2 HSL 34 -12.667 1.831 6.633
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 2.317 2.568 -12.170
2 2H ALA 1 HT2 ALA 1 2.681 4.187 -11.785
3 3H ALA 1 HT3 ALA 1 2.037 3.802 -13.294
4 HA ALA 1 HA ALA 1 0.346 4.789 -11.934
5 1HB ALA 1 HB1 ALA 1 -0.103 1.824 -12.395
6 2HB ALA 1 HB2 ALA 1 -0.286 3.110 -13.583
7 3HB ALA 1 HB3 ALA 1 -1.368 3.053 -12.196
8 H CYS 2 HN CYS 2 -1.102 4.563 -10.206
9 HA CYS 2 HA CYS 2 0.242 4.114 -7.726
10 1HB CYS 2 HB2 CYS 2 -1.814 4.762 -6.721
11 2HB CYS 2 HB1 CYS 2 -1.515 5.786 -8.053
12 H GLY 3 HN GLY 3 0.430 2.401 -6.587
13 1HA GLY 3 HA2 GLY 3 -0.074 -0.158 -7.420
14 2HA GLY 3 HA1 GLY 3 0.244 0.293 -5.761
15 H ILE 4 HN ILE 4 -1.533 -1.699 -7.000
16 HA ILE 4 HA ILE 4 -4.264 -0.814 -6.554
17 HB ILE 4 HB ILE 4 -4.914 -3.118 -7.076
18 1HG1 ILE 4 HG12 ILE 4 -1.959 -3.711 -7.300
19 2HG1 ILE 4 HG11 ILE 4 -2.938 -4.277 -5.955
20 1HG2 ILE 4 HG21 ILE 4 -2.809 -2.104 -9.001
21 2HG2 ILE 4 HG22 ILE 4 -4.476 -1.522 -8.881
22 3HG2 ILE 4 HG23 ILE 4 -4.169 -3.181 -9.355
23 1HD1 ILE 4 HD11 ILE 4 -4.306 -5.528 -7.613
24 2HD1 ILE 4 HD12 ILE 4 -2.621 -6.021 -7.479
25 3HD1 ILE 4 HD13 ILE 4 -3.132 -5.041 -8.848
26 H LEU 5 HN LEU 5 -5.684 -2.144 -5.335
27 HA LEU 5 HA LEU 5 -5.380 -1.564 -2.672
28 1HB LEU 5 HB2 LEU 5 -7.435 -2.734 -2.322
29 2HB LEU 5 HB1 LEU 5 -7.527 -1.843 -3.802
30 HG LEU 5 HG LEU 5 -6.915 -4.803 -3.743
31 1HD1 LEU 5 HD11 LEU 5 -9.222 -5.249 -4.133
32 2HD1 LEU 5 HD12 LEU 5 -9.630 -3.544 -3.955
33 3HD1 LEU 5 HD13 LEU 5 -9.018 -4.466 -2.569
34 1HD2 LEU 5 HD21 LEU 5 -7.763 -2.836 -5.866
35 2HD2 LEU 5 HD22 LEU 5 -8.021 -4.572 -6.032
36 3HD2 LEU 5 HD23 LEU 5 -6.394 -3.955 -5.852
37 H HIS 6 HN HIS 6 -4.052 -4.253 -4.227
38 HA HIS 6 HA HIS 6 -3.043 -5.227 -1.674
39 1HB HIS 6 HB2 HIS 6 -3.655 -7.557 -2.181
40 2HB HIS 6 HB1 HIS 6 -5.072 -6.534 -2.013
41 HD1 HIS 6 HD1 HIS 6 -2.975 -8.110 -4.778
42 HD2 HIS 6 HD2 HIS 6 -6.817 -6.730 -4.064
43 HE1 HIS 6 HE1 HIS 6 -4.263 -8.587 -6.870
44 HE2 HIS 6 HE2 HIS 6 -6.609 -7.807 -6.387
45 H ASP 7 HN ASP 7 -1.728 -3.745 -3.512
46 HA ASP 7 HA ASP 7 -0.128 -5.620 -5.130
47 1HB ASP 7 HB2 ASP 7 -0.677 -3.402 -6.039
48 2HB ASP 7 HB1 ASP 7 0.168 -2.606 -4.757
49 H ASN 8 HN ASN 8 1.985 -6.001 -4.843
50 HA ASN 8 HA ASN 8 2.875 -6.100 -2.102
51 1HB ASN 8 HB2 ASN 8 4.146 -6.919 -4.731
52 2HB ASN 8 HB1 ASN 8 4.973 -7.104 -3.179
53 1HD2 ASN 8 HD21 ASN 8 5.093 -9.327 -3.411
54 2HD2 ASN 8 HD22 ASN 8 3.689 -10.317 -3.233
55 H CYS 9 HN CYS 9 3.774 -4.558 -1.100
56 HA CYS 9 HA CYS 9 5.851 -2.905 -2.309
57 1HB CYS 9 HB2 CYS 9 4.641 -0.772 -1.655
58 2HB CYS 9 HB1 CYS 9 3.971 -1.636 -3.027
59 H VAL 10 HN VAL 10 6.990 -1.721 -0.891
60 HA VAL 10 HA VAL 10 7.192 -2.968 1.740
61 HB VAL 10 HB VAL 10 9.208 -2.481 0.381
62 1HG1 VAL 10 HG11 VAL 10 10.027 -0.333 -0.009
63 2HG1 VAL 10 HG12 VAL 10 8.842 0.438 1.026
64 3HG1 VAL 10 HG13 VAL 10 8.350 -0.254 -0.524
65 1HG2 VAL 10 HG21 VAL 10 9.286 -2.684 2.877
66 2HG2 VAL 10 HG22 VAL 10 9.238 -0.914 2.971
67 3HG2 VAL 10 HG23 VAL 10 10.573 -1.722 2.163
68 H TYR 11 HN TYR 11 7.252 -1.822 3.619
69 HA TYR 11 HA TYR 11 4.980 -0.104 3.941
70 1HB TYR 11 HB2 TYR 11 5.599 -0.209 6.392
71 2HB TYR 11 HB1 TYR 11 5.317 -1.738 5.602
72 HD1 TYR 11 HD1 TYR 11 7.734 0.271 7.398
73 HD2 TYR 11 HD2 TYR 11 7.303 -3.206 4.945
74 HE1 TYR 11 HE1 TYR 11 9.916 -0.548 8.146
75 HE2 TYR 11 HE2 TYR 11 9.441 -4.038 5.738
76 HH TYR 11 HH TYR 11 11.682 -2.665 6.692
77 H VAL 12 HN VAL 12 6.042 1.444 2.439
78 HA VAL 12 HA VAL 12 7.391 3.535 4.046
79 HB VAL 12 HB VAL 12 8.954 2.742 2.391
80 1HG1 VAL 12 HG11 VAL 12 7.206 1.924 0.730
81 2HG1 VAL 12 HG12 VAL 12 8.604 2.749 0.083
82 3HG1 VAL 12 HG13 VAL 12 7.078 3.598 0.185
83 1HG2 VAL 12 HG21 VAL 12 7.916 5.420 1.475
84 2HG2 VAL 12 HG22 VAL 12 9.560 4.819 1.480
85 3HG2 VAL 12 HG23 VAL 12 8.772 5.195 3.005
86 HA PRO 13 HA PRO 13 3.167 4.906 2.994
87 1HB PRO 13 HB2 PRO 13 2.913 6.494 5.207
88 2HB PRO 13 HB1 PRO 13 2.602 4.759 5.179
89 1HG PRO 13 HG2 PRO 13 5.044 6.207 6.122
90 2HG PRO 13 HG1 PRO 13 4.179 4.844 6.856
91 1HD PRO 13 HD2 PRO 13 6.441 4.545 5.458
92 2HD PRO 13 HD1 PRO 13 5.175 3.295 5.494
93 H ALA 14 HN ALA 14 5.924 6.768 4.130
94 HA ALA 14 HA ALA 14 5.049 9.345 3.457
95 1HB ALA 14 HB1 ALA 14 7.392 9.986 3.653
96 2HB ALA 14 HB2 ALA 14 7.882 8.282 3.579
97 3HB ALA 14 HB3 ALA 14 6.921 8.870 4.930
98 H GLN 15 HN GLN 15 6.396 6.782 1.594
99 HA GLN 15 HA GLN 15 5.944 8.329 -0.878
100 1HB GLN 15 HB2 GLN 15 8.355 8.382 -0.435
101 2HB GLN 15 HB1 GLN 15 8.390 6.655 -0.153
102 1HG GLN 15 HG2 GLN 15 9.295 7.267 -2.314
103 2HG GLN 15 HG1 GLN 15 7.929 6.204 -2.509
104 1HE2 GLN 15 HE21 GLN 15 7.391 6.847 -4.580
105 2HE2 GLN 15 HE22 GLN 15 6.851 8.447 -4.945
106 H ASN 16 HN ASN 16 4.104 6.844 0.193
107 HA ASN 16 HA ASN 16 4.121 4.097 -0.466
108 1HB ASN 16 HB2 ASN 16 1.675 4.165 -0.179
109 2HB ASN 16 HB1 ASN 16 2.546 4.935 1.119
110 1HD2 ASN 16 HD21 ASN 16 -0.240 5.271 0.134
111 2HD2 ASN 16 HD22 ASN 16 -0.376 6.970 -0.144
112 HA PRO 17 HA PRO 17 3.815 4.691 -4.898
113 1HB PRO 17 HB2 PRO 17 4.295 2.111 -5.543
114 2HB PRO 17 HB1 PRO 17 5.552 3.185 -4.927
115 1HG PRO 17 HG2 PRO 17 3.980 1.107 -3.444
116 2HG PRO 17 HG1 PRO 17 5.719 1.453 -3.407
117 1HD PRO 17 HD2 PRO 17 3.967 2.323 -1.534
118 2HD PRO 17 HD1 PRO 17 5.489 3.151 -1.923
119 H CYS 18 HN CYS 18 1.891 2.968 -2.732
120 HA CYS 18 HA CYS 18 0.057 1.818 -4.568
121 1HB CYS 18 HB2 CYS 18 0.612 1.053 -2.244
122 2HB CYS 18 HB1 CYS 18 -0.411 2.324 -1.620
123 H CYS 19 HN CYS 19 -2.177 2.368 -4.621
124 HA CYS 19 HA CYS 19 -2.498 5.120 -5.288
125 1HB CYS 19 HB2 CYS 19 -3.716 2.819 -6.081
126 2HB CYS 19 HB1 CYS 19 -4.932 3.426 -4.981
127 H ARG 20 HN ARG 20 -3.867 6.589 -4.524
128 HA ARG 20 HA ARG 20 -3.640 6.895 -1.681
129 1HB ARG 20 HB2 ARG 20 -4.874 8.499 -3.914
130 2HB ARG 20 HB1 ARG 20 -5.251 8.930 -2.251
131 1HG ARG 20 HG2 ARG 20 -3.388 10.215 -3.232
132 2HG ARG 20 HG1 ARG 20 -2.980 9.382 -1.733
133 1HD ARG 20 HD2 ARG 20 -1.199 9.209 -3.308
134 2HD ARG 20 HD1 ARG 20 -1.848 7.598 -3.050
135 HE ARG 20 HE ARG 20 -3.187 8.507 -5.287
136 1HH1 ARG 20 HH11 ARG 20 0.208 8.165 -4.423
137 2HH1 ARG 20 HH12 ARG 20 0.696 7.987 -6.059
138 1HH2 ARG 20 HH21 ARG 20 -2.489 8.238 -7.425
139 2HH2 ARG 20 HH22 ARG 20 -0.803 8.019 -7.758
140 H GLY 21 HN GLY 21 -4.923 6.466 -0.133
141 1HA GLY 21 HA2 GLY 21 -6.998 5.944 0.853
142 2HA GLY 21 HA1 GLY 21 -7.650 5.427 -0.692
143 H LEU 22 HN LEU 22 -4.714 4.233 -0.865
144 HA LEU 22 HA LEU 22 -5.284 1.728 0.612
145 1HB LEU 22 HB2 LEU 22 -3.603 1.928 -1.864
146 2HB LEU 22 HB1 LEU 22 -4.358 0.505 -1.156
147 HG LEU 22 HG LEU 22 -5.812 2.743 -2.581
148 1HD1 LEU 22 HD11 LEU 22 -5.684 0.022 -3.680
149 2HD1 LEU 22 HD12 LEU 22 -4.248 0.990 -3.858
150 3HD1 LEU 22 HD13 LEU 22 -5.788 1.553 -4.469
151 1HD2 LEU 22 HD21 LEU 22 -7.133 1.477 -0.788
152 2HD2 LEU 22 HD22 LEU 22 -6.873 0.043 -1.781
153 3HD2 LEU 22 HD23 LEU 22 -7.742 1.417 -2.427
154 H GLN 23 HN GLN 23 -3.721 0.970 1.862
155 HA GLN 23 HA GLN 23 -1.249 2.642 2.047
156 1HB GLN 23 HB2 GLN 23 -2.980 1.556 4.287
157 2HB GLN 23 HB1 GLN 23 -1.359 2.248 4.521
158 1HG GLN 23 HG2 GLN 23 -2.204 4.382 3.503
159 2HG GLN 23 HG1 GLN 23 -3.821 3.665 3.469
160 1HE2 GLN 23 HE21 GLN 23 -1.267 4.936 5.503
161 2HE2 GLN 23 HE22 GLN 23 -2.251 5.070 6.916
162 H CYS 24 HN CYS 24 0.460 1.690 1.778
163 HA CYS 24 HA CYS 24 0.726 -1.122 1.470
164 1HB CYS 24 HB2 CYS 24 2.680 1.130 1.553
165 2HB CYS 24 HB1 CYS 24 3.219 -0.546 1.413
166 H ARG 25 HN ARG 25 0.448 -2.408 3.066
167 HA ARG 25 HA ARG 25 1.809 -1.928 5.633
168 1HB ARG 25 HB2 ARG 25 -0.530 -2.956 5.334
169 2HB ARG 25 HB1 ARG 25 0.275 -4.421 4.768
170 1HG ARG 25 HG2 ARG 25 1.500 -4.530 6.945
171 2HG ARG 25 HG1 ARG 25 0.603 -3.102 7.487
172 1HD ARG 25 HD2 ARG 25 -1.498 -4.410 7.044
173 2HD ARG 25 HD1 ARG 25 -0.471 -5.838 6.814
174 HE ARG 25 HE ARG 25 0.095 -4.541 9.289
175 1HH1 ARG 25 HH11 ARG 25 -2.331 -6.580 7.758
176 2HH1 ARG 25 HH12 ARG 25 -2.887 -7.205 9.260
177 1HH2 ARG 25 HH21 ARG 25 -0.640 -5.406 11.229
178 2HH2 ARG 25 HH22 ARG 25 -1.940 -6.552 11.231
179 H TYR 26 HN TYR 26 3.316 -3.364 6.385
180 HA TYR 26 HA TYR 26 5.480 -3.836 4.844
181 1HB TYR 26 HB2 TYR 26 5.999 -5.754 6.657
182 2HB TYR 26 HB1 TYR 26 6.054 -4.041 7.010
183 HD1 TYR 26 HD1 TYR 26 4.359 -2.950 8.368
184 HD2 TYR 26 HD2 TYR 26 4.166 -7.150 7.564
185 HE1 TYR 26 HE1 TYR 26 2.729 -3.224 10.165
186 HE2 TYR 26 HE2 TYR 26 2.529 -7.408 9.371
187 HH TYR 26 HH TYR 26 2.013 -5.908 11.643
188 H GLY 27 HN GLY 27 5.074 -4.603 2.901
189 1HA GLY 27 HA2 GLY 27 5.667 -6.640 1.717
190 2HA GLY 27 HA1 GLY 27 4.507 -7.531 2.684
191 H LYS 28 HN LYS 28 2.365 -5.751 2.640
192 HA LYS 28 HA LYS 28 1.619 -5.668 -0.233
193 1HB LYS 28 HB2 LYS 28 -0.414 -6.908 0.174
194 2HB LYS 28 HB1 LYS 28 0.991 -7.854 0.662
195 1HG LYS 28 HG2 LYS 28 0.569 -7.525 2.986
196 2HG LYS 28 HG1 LYS 28 -0.644 -6.289 2.684
197 1HD LYS 28 HD2 LYS 28 -1.804 -8.240 3.251
198 2HD LYS 28 HD1 LYS 28 -2.068 -7.978 1.529
199 1HE LYS 28 HE2 LYS 28 -1.652 -10.239 1.698
200 2HE LYS 28 HE1 LYS 28 -0.080 -9.653 1.203
201 1HZ LYS 28 HZ1 LYS 28 0.621 -9.745 3.549
202 2HZ LYS 28 HZ2 LYS 28 0.090 -11.241 2.978
203 3HZ LYS 28 HZ3 LYS 28 -0.913 -10.337 3.990
204 H CYS 29 HN CYS 29 0.258 -4.193 -0.781
205 HA CYS 29 HA CYS 29 -0.486 -2.128 1.093
206 1HB CYS 29 HB2 CYS 29 0.138 -1.599 -1.250
207 2HB CYS 29 HB1 CYS 29 -1.259 -2.437 -1.817
208 H LEU 30 HN LEU 30 -2.352 -1.735 1.942
209 HA LEU 30 HA LEU 30 -4.521 -3.698 1.456
210 1HB LEU 30 HB2 LEU 30 -3.802 -2.170 3.976
211 2HB LEU 30 HB1 LEU 30 -5.244 -3.171 3.786
212 HG LEU 30 HG LEU 30 -2.376 -4.150 3.726
213 1HD1 LEU 30 HD11 LEU 30 -3.080 -3.518 5.957
214 2HD1 LEU 30 HD12 LEU 30 -3.012 -5.273 5.800
215 3HD1 LEU 30 HD13 LEU 30 -4.571 -4.461 5.784
216 1HD2 LEU 30 HD21 LEU 30 -3.476 -6.395 3.788
217 2HD2 LEU 30 HD22 LEU 30 -3.648 -5.560 2.258
218 3HD2 LEU 30 HD23 LEU 30 -5.009 -5.622 3.393
219 H VAL 31 HN VAL 31 -6.382 -3.081 0.977
220 HA VAL 31 HA VAL 31 -6.919 -0.377 0.230
221 HB VAL 31 HB VAL 31 -7.920 -2.147 -1.015
222 1HG1 VAL 31 HG11 VAL 31 -9.697 -3.571 -0.132
223 2HG1 VAL 31 HG12 VAL 31 -9.357 -2.992 1.478
224 3HG1 VAL 31 HG13 VAL 31 -8.142 -3.896 0.593
225 1HG2 VAL 31 HG21 VAL 31 -10.244 -1.433 -1.095
226 2HG2 VAL 31 HG22 VAL 31 -9.158 -0.064 -0.991
227 3HG2 VAL 31 HG23 VAL 31 -10.031 -0.599 0.421
228 H GLN 32 HN GLN 32 -6.913 1.019 1.766
229 HA GLN 32 HA GLN 32 -7.948 0.484 4.393
230 1HB GLN 32 HB2 GLN 32 -6.019 2.084 3.760
231 2HB GLN 32 HB1 GLN 32 -7.244 3.213 3.232
232 1HG GLN 32 HG2 GLN 32 -6.573 3.822 5.408
233 2HG GLN 32 HG1 GLN 32 -8.219 3.224 5.522
234 1HE2 GLN 32 HE21 GLN 32 -6.089 3.433 7.575
235 2HE2 GLN 32 HE22 GLN 32 -5.909 1.825 8.181
236 H VAL 33 HN VAL 33 -8.798 2.519 1.703
237 HA VAL 33 HA VAL 33 -11.455 3.126 2.772
238 HB VAL 33 HB VAL 33 -11.808 4.324 0.622
239 1HG1 VAL 33 HG11 VAL 33 -10.226 6.101 1.017
240 2HG1 VAL 33 HG12 VAL 33 -9.215 5.048 2.003
241 3HG1 VAL 33 HG13 VAL 33 -10.843 5.491 2.548
242 1HG2 VAL 33 HG21 VAL 33 -10.601 3.257 -1.029
243 2HG2 VAL 33 HG22 VAL 33 -9.146 3.095 -0.075
244 3HG2 VAL 33 HG23 VAL 33 -9.605 4.657 -0.723
245 1HG HSL 34 HG1 HSL 34 -12.712 -3.695 1.874
246 2HG HSL 34 HG2 HSL 34 -12.951 -3.122 3.538
247 H HSL 34 HN HSL 34 -11.632 0.738 2.989
248 HA HSL 34 HA HSL 34 -12.303 -0.812 0.397
249 1HB HSL 34 HB1 HSL 34 -11.079 -2.165 1.744
250 2HB HSL 34 HB2 HSL 34 -11.617 -1.354 3.219
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 0.493 0.563 -13.922
2 2H ALA 1 HT2 ALA 1 1.799 1.287 -13.128
3 3H ALA 1 HT3 ALA 1 0.259 2.014 -13.091
4 HA ALA 1 HA ALA 1 -0.640 0.124 -11.883
5 1HB ALA 1 HB1 ALA 1 0.845 -1.619 -11.010
6 2HB ALA 1 HB2 ALA 1 2.220 -0.878 -11.855
7 3HB ALA 1 HB3 ALA 1 0.876 -1.552 -12.769
8 H CYS 2 HN CYS 2 -1.209 1.344 -10.279
9 HA CYS 2 HA CYS 2 0.798 2.678 -8.568
10 1HB CYS 2 HB2 CYS 2 -1.029 3.791 -7.545
11 2HB CYS 2 HB1 CYS 2 -1.424 3.736 -9.254
12 H GLY 3 HN GLY 3 0.021 2.426 -6.162
13 1HA GLY 3 HA2 GLY 3 0.267 -0.328 -5.442
14 2HA GLY 3 HA1 GLY 3 0.186 0.990 -4.364
15 H ILE 4 HN ILE 4 -1.444 -1.584 -5.537
16 HA ILE 4 HA ILE 4 -4.051 -0.600 -4.631
17 HB ILE 4 HB ILE 4 -5.123 -2.301 -6.106
18 1HG1 ILE 4 HG12 ILE 4 -2.933 -3.688 -6.390
19 2HG1 ILE 4 HG11 ILE 4 -3.965 -3.427 -7.776
20 1HG2 ILE 4 HG21 ILE 4 -5.076 0.027 -6.714
21 2HG2 ILE 4 HG22 ILE 4 -4.978 -1.022 -8.120
22 3HG2 ILE 4 HG23 ILE 4 -3.534 -0.204 -7.534
23 1HD1 ILE 4 HD11 ILE 4 -1.505 -1.801 -7.237
24 2HD1 ILE 4 HD12 ILE 4 -2.501 -1.773 -8.677
25 3HD1 ILE 4 HD13 ILE 4 -1.587 -3.208 -8.256
26 H LEU 5 HN LEU 5 -5.468 -2.579 -4.298
27 HA LEU 5 HA LEU 5 -4.950 -3.282 -1.735
28 1HB LEU 5 HB2 LEU 5 -6.900 -4.720 -1.829
29 2HB LEU 5 HB1 LEU 5 -7.161 -3.217 -2.686
30 HG LEU 5 HG LEU 5 -6.343 -5.650 -4.257
31 1HD1 LEU 5 HD11 LEU 5 -8.201 -6.389 -2.867
32 2HD1 LEU 5 HD12 LEU 5 -8.620 -6.261 -4.570
33 3HD1 LEU 5 HD13 LEU 5 -9.160 -5.014 -3.446
34 1HD2 LEU 5 HD21 LEU 5 -7.722 -3.044 -4.831
35 2HD2 LEU 5 HD22 LEU 5 -7.947 -4.449 -5.871
36 3HD2 LEU 5 HD23 LEU 5 -6.342 -3.805 -5.627
37 H HIS 6 HN HIS 6 -3.542 -4.825 -4.394
38 HA HIS 6 HA HIS 6 -2.365 -6.793 -2.565
39 1HB HIS 6 HB2 HIS 6 -2.719 -8.625 -4.214
40 2HB HIS 6 HB1 HIS 6 -4.212 -8.010 -3.526
41 HD1 HIS 6 HD1 HIS 6 -2.221 -7.853 -6.748
42 HD2 HIS 6 HD2 HIS 6 -6.071 -7.230 -5.341
43 HE1 HIS 6 HE1 HIS 6 -3.628 -7.453 -8.780
44 HE2 HIS 6 HE2 HIS 6 -5.923 -6.912 -7.897
45 H ASP 7 HN ASP 7 -1.382 -4.419 -3.561
46 HA ASP 7 HA ASP 7 0.625 -5.296 -5.556
47 1HB ASP 7 HB2 ASP 7 -0.326 -3.143 -5.998
48 2HB ASP 7 HB1 ASP 7 0.049 -2.546 -4.382
49 H ASN 8 HN ASN 8 2.131 -6.420 -4.698
50 HA ASN 8 HA ASN 8 2.950 -6.402 -2.022
51 1HB ASN 8 HB2 ASN 8 4.319 -7.372 -4.501
52 2HB ASN 8 HB1 ASN 8 5.044 -7.557 -2.900
53 1HD2 ASN 8 HD21 ASN 8 2.429 -8.548 -5.011
54 2HD2 ASN 8 HD22 ASN 8 1.965 -9.904 -4.049
55 H CYS 9 HN CYS 9 4.089 -5.133 -0.883
56 HA CYS 9 HA CYS 9 5.841 -3.133 -1.858
57 1HB CYS 9 HB2 CYS 9 3.774 -2.176 -2.736
58 2HB CYS 9 HB1 CYS 9 2.980 -2.325 -1.175
59 H VAL 10 HN VAL 10 6.892 -2.199 -0.284
60 HA VAL 10 HA VAL 10 6.424 -3.238 2.457
61 HB VAL 10 HB VAL 10 8.716 -2.337 2.930
62 1HG1 VAL 10 HG11 VAL 10 8.370 -4.680 2.328
63 2HG1 VAL 10 HG12 VAL 10 9.905 -4.047 1.746
64 3HG1 VAL 10 HG13 VAL 10 8.571 -4.267 0.616
65 1HG2 VAL 10 HG21 VAL 10 10.124 -1.634 1.127
66 2HG2 VAL 10 HG22 VAL 10 8.739 -0.580 1.150
67 3HG2 VAL 10 HG23 VAL 10 8.853 -1.849 -0.061
68 H TYR 11 HN TYR 11 7.262 -1.630 4.086
69 HA TYR 11 HA TYR 11 5.394 0.440 4.324
70 1HB TYR 11 HB2 TYR 11 6.718 1.056 6.400
71 2HB TYR 11 HB1 TYR 11 6.165 -0.607 6.299
72 HD1 TYR 11 HD1 TYR 11 9.052 1.504 6.728
73 HD2 TYR 11 HD2 TYR 11 7.814 -2.417 5.534
74 HE1 TYR 11 HE1 TYR 11 11.330 0.665 7.060
75 HE2 TYR 11 HE2 TYR 11 10.087 -3.229 5.852
76 HH TYR 11 HH TYR 11 12.547 -1.954 5.800
77 H VAL 12 HN VAL 12 5.777 1.465 2.303
78 HA VAL 12 HA VAL 12 7.799 3.644 2.572
79 HB VAL 12 HB VAL 12 7.845 3.788 0.088
80 1HG1 VAL 12 HG11 VAL 12 9.685 2.738 1.156
81 2HG1 VAL 12 HG12 VAL 12 9.261 1.771 -0.251
82 3HG1 VAL 12 HG13 VAL 12 8.801 1.227 1.356
83 1HG2 VAL 12 HG21 VAL 12 7.132 1.819 -1.207
84 2HG2 VAL 12 HG22 VAL 12 5.759 2.638 -0.507
85 3HG2 VAL 12 HG23 VAL 12 6.368 1.155 0.213
86 HA PRO 13 HA PRO 13 3.538 5.429 2.536
87 1HB PRO 13 HB2 PRO 13 4.419 6.928 4.891
88 2HB PRO 13 HB1 PRO 13 3.096 5.776 4.706
89 1HG PRO 13 HG2 PRO 13 5.329 5.279 6.171
90 2HG PRO 13 HG1 PRO 13 4.361 4.008 5.400
91 1HD PRO 13 HD2 PRO 13 6.946 5.244 4.499
92 2HD PRO 13 HD1 PRO 13 6.384 3.587 4.518
93 H ALA 14 HN ALA 14 6.675 6.837 3.305
94 HA ALA 14 HA ALA 14 6.139 9.507 2.621
95 1HB ALA 14 HB1 ALA 14 8.019 8.799 3.990
96 2HB ALA 14 HB2 ALA 14 8.565 9.774 2.631
97 3HB ALA 14 HB3 ALA 14 8.775 8.011 2.610
98 H GLN 15 HN GLN 15 6.689 6.692 0.775
99 HA GLN 15 HA GLN 15 6.697 8.280 -1.737
100 1HB GLN 15 HB2 GLN 15 8.121 5.654 -1.149
101 2HB GLN 15 HB1 GLN 15 8.110 6.522 -2.700
102 1HG GLN 15 HG2 GLN 15 9.389 8.326 -1.769
103 2HG GLN 15 HG1 GLN 15 9.293 7.636 -0.144
104 1HE2 GLN 15 HE21 GLN 15 10.468 5.757 0.353
105 2HE2 GLN 15 HE22 GLN 15 11.811 5.297 -0.633
106 H ASN 16 HN ASN 16 4.458 7.474 -0.348
107 HA ASN 16 HA ASN 16 3.379 4.986 -0.820
108 1HB ASN 16 HB2 ASN 16 2.335 6.620 0.629
109 2HB ASN 16 HB1 ASN 16 1.933 7.657 -0.731
110 1HD2 ASN 16 HD21 ASN 16 1.061 4.854 1.117
111 2HD2 ASN 16 HD22 ASN 16 -0.408 4.529 0.269
112 HA PRO 17 HA PRO 17 3.159 5.324 -5.344
113 1HB PRO 17 HB2 PRO 17 3.468 2.732 -5.834
114 2HB PRO 17 HB1 PRO 17 4.793 3.664 -5.127
115 1HG PRO 17 HG2 PRO 17 2.821 1.880 -3.703
116 2HG PRO 17 HG1 PRO 17 4.590 1.920 -3.599
117 1HD PRO 17 HD2 PRO 17 2.946 3.180 -1.837
118 2HD PRO 17 HD1 PRO 17 4.617 3.686 -2.180
119 H CYS 18 HN CYS 18 1.098 4.258 -3.009
120 HA CYS 18 HA CYS 18 -0.669 2.661 -4.496
121 1HB CYS 18 HB2 CYS 18 -0.831 3.801 -1.752
122 2HB CYS 18 HB1 CYS 18 -1.985 2.670 -2.424
123 H CYS 19 HN CYS 19 -2.636 3.040 -5.206
124 HA CYS 19 HA CYS 19 -3.358 5.706 -5.884
125 1HB CYS 19 HB2 CYS 19 -4.871 3.093 -5.821
126 2HB CYS 19 HB1 CYS 19 -5.695 4.605 -6.218
127 H ARG 20 HN ARG 20 -4.704 7.080 -4.957
128 HA ARG 20 HA ARG 20 -4.030 7.349 -2.224
129 1HB ARG 20 HB2 ARG 20 -6.078 8.924 -3.829
130 2HB ARG 20 HB1 ARG 20 -5.376 9.435 -2.287
131 1HG ARG 20 HG2 ARG 20 -4.038 9.171 -4.973
132 2HG ARG 20 HG1 ARG 20 -4.227 10.600 -3.956
133 1HD ARG 20 HD2 ARG 20 -2.697 9.687 -2.302
134 2HD ARG 20 HD1 ARG 20 -2.567 8.183 -3.222
135 HE ARG 20 HE ARG 20 -1.757 10.650 -4.557
136 1HH1 ARG 20 HH11 ARG 20 -0.790 7.647 -2.953
137 2HH1 ARG 20 HH12 ARG 20 0.819 7.781 -3.509
138 1HH2 ARG 20 HH21 ARG 20 0.375 10.750 -5.260
139 2HH2 ARG 20 HH22 ARG 20 1.505 9.519 -4.802
140 H GLY 21 HN GLY 21 -4.686 6.511 -0.586
141 1HA GLY 21 HA2 GLY 21 -6.674 6.354 0.898
142 2HA GLY 21 HA1 GLY 21 -7.496 5.503 -0.402
143 H LEU 22 HN LEU 22 -4.799 4.284 -1.101
144 HA LEU 22 HA LEU 22 -4.965 2.074 0.872
145 1HB LEU 22 HB2 LEU 22 -3.884 2.155 -1.966
146 2HB LEU 22 HB1 LEU 22 -3.799 0.777 -0.881
147 HG LEU 22 HG LEU 22 -6.290 0.747 -0.838
148 1HD1 LEU 22 HD11 LEU 22 -5.994 2.779 -3.015
149 2HD1 LEU 22 HD12 LEU 22 -6.896 2.942 -1.511
150 3HD1 LEU 22 HD13 LEU 22 -7.435 1.826 -2.727
151 1HD2 LEU 22 HD21 LEU 22 -5.119 0.414 -3.550
152 2HD2 LEU 22 HD22 LEU 22 -6.498 -0.427 -2.865
153 3HD2 LEU 22 HD23 LEU 22 -4.888 -0.749 -2.236
154 H GLN 23 HN GLN 23 -3.182 1.176 1.722
155 HA GLN 23 HA GLN 23 -0.638 2.670 1.479
156 1HB GLN 23 HB2 GLN 23 -1.645 3.666 3.411
157 2HB GLN 23 HB1 GLN 23 -2.171 2.112 4.036
158 1HG GLN 23 HG2 GLN 23 -0.266 3.054 5.247
159 2HG GLN 23 HG1 GLN 23 0.106 1.477 4.580
160 1HE2 GLN 23 HE21 GLN 23 2.322 1.761 4.504
161 2HE2 GLN 23 HE22 GLN 23 3.075 2.930 3.479
162 H CYS 24 HN CYS 24 1.077 1.534 1.550
163 HA CYS 24 HA CYS 24 1.053 -1.260 1.275
164 1HB CYS 24 HB2 CYS 24 3.374 0.535 1.883
165 2HB CYS 24 HB1 CYS 24 3.461 -1.131 1.289
166 H ARG 25 HN ARG 25 0.400 -2.517 2.787
167 HA ARG 25 HA ARG 25 1.470 -2.299 5.516
168 1HB ARG 25 HB2 ARG 25 -0.837 -2.989 5.248
169 2HB ARG 25 HB1 ARG 25 -0.384 -4.302 4.154
170 1HG ARG 25 HG2 ARG 25 0.816 -5.418 6.027
171 2HG ARG 25 HG1 ARG 25 0.354 -4.085 7.099
172 1HD ARG 25 HD2 ARG 25 -1.966 -4.651 6.823
173 2HD ARG 25 HD1 ARG 25 -1.557 -5.888 5.622
174 HE ARG 25 HE ARG 25 -0.150 -6.770 7.705
175 1HH1 ARG 25 HH11 ARG 25 -3.521 -5.740 7.467
176 2HH1 ARG 25 HH12 ARG 25 -4.013 -6.763 8.754
177 1HH2 ARG 25 HH21 ARG 25 -0.851 -8.096 9.387
178 2HH2 ARG 25 HH22 ARG 25 -2.521 -8.107 9.847
179 H TYR 26 HN TYR 26 2.581 -4.049 6.420
180 HA TYR 26 HA TYR 26 4.946 -4.711 5.197
181 1HB TYR 26 HB2 TYR 26 3.508 -6.201 7.417
182 2HB TYR 26 HB1 TYR 26 5.202 -6.459 6.981
183 HD1 TYR 26 HD1 TYR 26 6.912 -4.908 7.657
184 HD2 TYR 26 HD2 TYR 26 2.791 -4.049 8.442
185 HE1 TYR 26 HE1 TYR 26 7.565 -3.105 9.177
186 HE2 TYR 26 HE2 TYR 26 3.460 -2.247 9.949
187 HH TYR 26 HH TYR 26 6.260 -0.805 10.004
188 H GLY 27 HN GLY 27 4.473 -5.329 3.129
189 1HA GLY 27 HA2 GLY 27 4.918 -7.642 2.147
190 2HA GLY 27 HA1 GLY 27 3.298 -8.034 2.711
191 H LYS 28 HN LYS 28 1.893 -5.786 2.170
192 HA LYS 28 HA LYS 28 2.273 -4.920 -0.555
193 1HB LYS 28 HB2 LYS 28 0.271 -5.923 -1.506
194 2HB LYS 28 HB1 LYS 28 1.374 -7.172 -0.992
195 1HG LYS 28 HG2 LYS 28 -0.899 -6.276 0.804
196 2HG LYS 28 HG1 LYS 28 -1.154 -7.343 -0.576
197 1HD LYS 28 HD2 LYS 28 0.618 -8.871 0.341
198 2HD LYS 28 HD1 LYS 28 0.670 -7.839 1.784
199 1HE LYS 28 HE2 LYS 28 -1.568 -8.375 2.348
200 2HE LYS 28 HE1 LYS 28 -1.867 -9.143 0.779
201 1HZ LYS 28 HZ1 LYS 28 0.005 -10.135 2.875
202 2HZ LYS 28 HZ2 LYS 28 -0.273 -10.870 1.363
203 3HZ LYS 28 HZ3 LYS 28 -1.520 -10.755 2.495
204 H CYS 29 HN CYS 29 0.579 -3.653 -1.348
205 HA CYS 29 HA CYS 29 -0.292 -1.779 0.618
206 1HB CYS 29 HB2 CYS 29 0.602 -1.138 -1.595
207 2HB CYS 29 HB1 CYS 29 -0.812 -1.830 -2.353
208 H LEU 30 HN LEU 30 -2.148 -1.555 1.501
209 HA LEU 30 HA LEU 30 -4.448 -3.129 0.463
210 1HB LEU 30 HB2 LEU 30 -3.567 -2.769 3.353
211 2HB LEU 30 HB1 LEU 30 -5.085 -3.516 2.847
212 HG LEU 30 HG LEU 30 -2.305 -4.592 2.284
213 1HD1 LEU 30 HD11 LEU 30 -3.147 -4.711 4.657
214 2HD1 LEU 30 HD12 LEU 30 -2.765 -6.244 3.883
215 3HD1 LEU 30 HD13 LEU 30 -4.446 -5.750 4.066
216 1HD2 LEU 30 HD21 LEU 30 -3.742 -5.238 0.474
217 2HD2 LEU 30 HD22 LEU 30 -5.054 -5.658 1.576
218 3HD2 LEU 30 HD23 LEU 30 -3.573 -6.608 1.547
219 H VAL 31 HN VAL 31 -6.428 -2.403 0.990
220 HA VAL 31 HA VAL 31 -6.730 0.471 0.859
221 HB VAL 31 HB VAL 31 -8.890 -1.616 1.296
222 1HG1 VAL 31 HG11 VAL 31 -8.954 1.268 0.357
223 2HG1 VAL 31 HG12 VAL 31 -9.743 0.567 1.780
224 3HG1 VAL 31 HG13 VAL 31 -10.290 0.137 0.173
225 1HG2 VAL 31 HG21 VAL 31 -9.212 -1.745 -1.023
226 2HG2 VAL 31 HG22 VAL 31 -7.502 -2.053 -0.775
227 3HG2 VAL 31 HG23 VAL 31 -8.051 -0.482 -1.366
228 H GLN 32 HN GLN 32 -6.305 1.619 2.518
229 HA GLN 32 HA GLN 32 -6.318 0.602 5.191
230 1HB GLN 32 HB2 GLN 32 -4.817 2.392 4.363
231 2HB GLN 32 HB1 GLN 32 -6.199 3.480 4.240
232 1HG GLN 32 HG2 GLN 32 -6.528 3.138 6.759
233 2HG GLN 32 HG1 GLN 32 -5.008 2.239 6.741
234 1HE2 GLN 32 HE21 GLN 32 -5.629 5.125 4.751
235 2HE2 GLN 32 HE22 GLN 32 -4.511 6.084 5.616
236 H VAL 33 HN VAL 33 -7.884 0.447 6.519
237 HA VAL 33 HA VAL 33 -10.535 1.510 5.906
238 HB VAL 33 HB VAL 33 -10.364 -0.753 6.787
239 1HG1 VAL 33 HG11 VAL 33 -9.600 -1.310 8.931
240 2HG1 VAL 33 HG12 VAL 33 -9.407 0.355 9.428
241 3HG1 VAL 33 HG13 VAL 33 -8.317 -0.345 8.231
242 1HG2 VAL 33 HG21 VAL 33 -12.114 -0.650 8.353
243 2HG2 VAL 33 HG22 VAL 33 -12.366 0.724 7.286
244 3HG2 VAL 33 HG23 VAL 33 -11.683 0.961 8.903
245 1HG HSL 34 HG1 HSL 34 -9.547 7.953 5.954
246 2HG HSL 34 HG2 HSL 34 -8.895 7.945 7.606
247 H HSL 34 HN HSL 34 -9.710 3.646 5.912
248 HA HSL 34 HA HSL 34 -9.258 4.771 8.281
249 1HB HSL 34 HB1 HSL 34 -8.845 5.863 5.568
250 2HB HSL 34 HB2 HSL 34 -7.862 6.042 7.026
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 0.137 3.256 -13.224
2 2H ALA 1 HT2 ALA 1 -1.363 3.561 -12.474
3 3H ALA 1 HT3 ALA 1 -1.296 2.655 -13.894
4 HA ALA 1 HA ALA 1 -1.669 1.204 -12.046
5 1HB ALA 1 HB1 ALA 1 1.110 0.900 -13.214
6 2HB ALA 1 HB2 ALA 1 -0.402 0.383 -13.950
7 3HB ALA 1 HB3 ALA 1 0.144 -0.386 -12.464
8 H CYS 2 HN CYS 2 -1.835 2.301 -10.199
9 HA CYS 2 HA CYS 2 0.521 3.079 -8.626
10 1HB CYS 2 HB2 CYS 2 -1.103 3.938 -7.041
11 2HB CYS 2 HB1 CYS 2 -1.596 4.411 -8.663
12 H GLY 3 HN GLY 3 0.467 2.382 -6.314
13 1HA GLY 3 HA2 GLY 3 0.423 -0.358 -5.883
14 2HA GLY 3 HA1 GLY 3 0.376 0.844 -4.642
15 H ILE 4 HN ILE 4 -1.152 -1.721 -5.581
16 HA ILE 4 HA ILE 4 -3.918 -0.727 -5.113
17 HB ILE 4 HB ILE 4 -4.689 -2.672 -6.488
18 1HG1 ILE 4 HG12 ILE 4 -1.772 -2.837 -7.316
19 2HG1 ILE 4 HG11 ILE 4 -2.598 -4.028 -6.291
20 1HG2 ILE 4 HG21 ILE 4 -2.937 -0.701 -7.979
21 2HG2 ILE 4 HG22 ILE 4 -4.570 -0.388 -7.380
22 3HG2 ILE 4 HG23 ILE 4 -4.314 -1.613 -8.608
23 1HD1 ILE 4 HD11 ILE 4 -3.189 -3.407 -9.161
24 2HD1 ILE 4 HD12 ILE 4 -4.127 -4.512 -8.142
25 3HD1 ILE 4 HD13 ILE 4 -2.433 -4.846 -8.488
26 H LEU 5 HN LEU 5 -5.361 -2.527 -4.487
27 HA LEU 5 HA LEU 5 -4.581 -2.965 -1.792
28 1HB LEU 5 HB2 LEU 5 -6.821 -3.771 -1.450
29 2HB LEU 5 HB1 LEU 5 -6.805 -2.347 -2.465
30 HG LEU 5 HG LEU 5 -6.807 -4.262 -4.400
31 1HD1 LEU 5 HD11 LEU 5 -6.985 -6.156 -2.895
32 2HD1 LEU 5 HD12 LEU 5 -8.499 -5.932 -3.738
33 3HD1 LEU 5 HD13 LEU 5 -8.355 -5.413 -2.064
34 1HD2 LEU 5 HD21 LEU 5 -9.259 -3.142 -3.048
35 2HD2 LEU 5 HD22 LEU 5 -9.143 -3.800 -4.678
36 3HD2 LEU 5 HD23 LEU 5 -8.284 -2.318 -4.278
37 H HIS 6 HN HIS 6 -3.846 -4.772 -4.444
38 HA HIS 6 HA HIS 6 -2.979 -6.963 -2.714
39 1HB HIS 6 HB2 HIS 6 -3.771 -8.639 -4.421
40 2HB HIS 6 HB1 HIS 6 -5.050 -7.826 -3.538
41 HD1 HIS 6 HD1 HIS 6 -3.776 -8.383 -6.970
42 HD2 HIS 6 HD2 HIS 6 -6.605 -6.070 -5.076
43 HE1 HIS 6 HE1 HIS 6 -5.255 -7.479 -8.786
44 HE2 HIS 6 HE2 HIS 6 -6.863 -5.934 -7.618
45 H ASP 7 HN ASP 7 -1.538 -4.895 -3.550
46 HA ASP 7 HA ASP 7 0.311 -6.286 -5.437
47 1HB ASP 7 HB2 ASP 7 -0.710 -4.100 -6.213
48 2HB ASP 7 HB1 ASP 7 0.249 -3.258 -5.039
49 H ASN 8 HN ASN 8 2.180 -6.763 -4.697
50 HA ASN 8 HA ASN 8 2.717 -6.425 -1.896
51 1HB ASN 8 HB2 ASN 8 4.384 -7.675 -4.070
52 2HB ASN 8 HB1 ASN 8 4.784 -7.717 -2.346
53 1HD2 ASN 8 HD21 ASN 8 4.667 -9.885 -2.051
54 2HD2 ASN 8 HD22 ASN 8 3.201 -10.776 -2.242
55 H CYS 9 HN CYS 9 4.096 -5.168 -0.897
56 HA CYS 9 HA CYS 9 6.103 -3.605 -2.166
57 1HB CYS 9 HB2 CYS 9 5.070 -1.379 -1.875
58 2HB CYS 9 HB1 CYS 9 4.175 -2.351 -3.024
59 H VAL 10 HN VAL 10 6.848 -1.849 -0.676
60 HA VAL 10 HA VAL 10 7.026 -3.047 2.034
61 HB VAL 10 HB VAL 10 9.053 -1.699 2.318
62 1HG1 VAL 10 HG11 VAL 10 9.242 -3.953 1.382
63 2HG1 VAL 10 HG12 VAL 10 10.475 -2.862 0.761
64 3HG1 VAL 10 HG13 VAL 10 9.098 -3.286 -0.254
65 1HG2 VAL 10 HG21 VAL 10 8.610 0.256 0.989
66 2HG2 VAL 10 HG22 VAL 10 8.464 -0.701 -0.489
67 3HG2 VAL 10 HG23 VAL 10 10.011 -0.552 0.321
68 H TYR 11 HN TYR 11 7.056 -1.789 3.827
69 HA TYR 11 HA TYR 11 4.858 0.089 3.883
70 1HB TYR 11 HB2 TYR 11 5.106 -1.559 5.638
71 2HB TYR 11 HB1 TYR 11 6.699 -0.948 6.063
72 HD1 TYR 11 HD1 TYR 11 6.913 0.861 7.610
73 HD2 TYR 11 HD2 TYR 11 3.073 -0.069 5.999
74 HE1 TYR 11 HE1 TYR 11 5.858 2.390 9.201
75 HE2 TYR 11 HE2 TYR 11 2.030 1.467 7.572
76 HH TYR 11 HH TYR 11 2.834 2.373 10.067
77 H VAL 12 HN VAL 12 5.644 1.712 2.595
78 HA VAL 12 HA VAL 12 7.039 3.751 4.199
79 HB VAL 12 HB VAL 12 8.829 2.759 2.851
80 1HG1 VAL 12 HG11 VAL 12 7.287 2.017 0.949
81 2HG1 VAL 12 HG12 VAL 12 8.866 2.662 0.530
82 3HG1 VAL 12 HG13 VAL 12 7.445 3.668 0.333
83 1HG2 VAL 12 HG21 VAL 12 8.165 5.478 1.705
84 2HG2 VAL 12 HG22 VAL 12 9.734 4.753 2.004
85 3HG2 VAL 12 HG23 VAL 12 8.735 5.239 3.365
86 HA PRO 13 HA PRO 13 3.073 4.906 2.068
87 1HB PRO 13 HB2 PRO 13 2.468 6.086 4.719
88 2HB PRO 13 HB1 PRO 13 1.546 4.955 3.724
89 1HG PRO 13 HG2 PRO 13 2.773 4.204 5.984
90 2HG PRO 13 HG1 PRO 13 2.615 3.108 4.597
91 1HD PRO 13 HD2 PRO 13 4.988 4.730 5.492
92 2HD PRO 13 HD1 PRO 13 4.864 3.061 4.930
93 H ALA 14 HN ALA 14 5.452 6.567 3.946
94 HA ALA 14 HA ALA 14 4.712 9.208 3.695
95 1HB ALA 14 HB1 ALA 14 7.072 9.737 4.035
96 2HB ALA 14 HB2 ALA 14 7.519 8.065 3.641
97 3HB ALA 14 HB3 ALA 14 6.551 8.412 5.070
98 H GLN 15 HN GLN 15 6.193 7.037 1.416
99 HA GLN 15 HA GLN 15 5.680 9.034 -0.737
100 1HB GLN 15 HB2 GLN 15 8.115 8.655 -0.234
101 2HB GLN 15 HB1 GLN 15 7.912 6.949 -0.643
102 1HG GLN 15 HG2 GLN 15 7.164 7.705 -2.959
103 2HG GLN 15 HG1 GLN 15 7.564 9.349 -2.465
104 1HE2 GLN 15 HE21 GLN 15 8.816 6.179 -3.250
105 2HE2 GLN 15 HE22 GLN 15 10.445 6.709 -3.471
106 H ASN 16 HN ASN 16 3.715 7.680 0.014
107 HA ASN 16 HA ASN 16 3.458 4.972 -0.558
108 1HB ASN 16 HB2 ASN 16 1.919 6.266 0.832
109 2HB ASN 16 HB1 ASN 16 1.299 7.102 -0.554
110 1HD2 ASN 16 HD21 ASN 16 -0.778 6.382 -0.132
111 2HD2 ASN 16 HD22 ASN 16 -1.224 4.740 -0.369
112 HA PRO 17 HA PRO 17 3.380 5.251 -5.064
113 1HB PRO 17 HB2 PRO 17 3.693 2.620 -5.492
114 2HB PRO 17 HB1 PRO 17 5.000 3.607 -4.829
115 1HG PRO 17 HG2 PRO 17 3.059 1.855 -3.331
116 2HG PRO 17 HG1 PRO 17 4.831 1.917 -3.232
117 1HD PRO 17 HD2 PRO 17 3.238 3.181 -1.491
118 2HD PRO 17 HD1 PRO 17 4.845 3.813 -1.937
119 H CYS 18 HN CYS 18 1.266 3.839 -2.838
120 HA CYS 18 HA CYS 18 -0.568 2.656 -4.617
121 1HB CYS 18 HB2 CYS 18 -0.881 3.373 -1.735
122 2HB CYS 18 HB1 CYS 18 -1.941 2.370 -2.660
123 H CYS 19 HN CYS 19 -2.690 3.174 -4.921
124 HA CYS 19 HA CYS 19 -3.174 5.949 -5.484
125 1HB CYS 19 HB2 CYS 19 -4.914 3.484 -5.436
126 2HB CYS 19 HB1 CYS 19 -5.638 5.079 -5.662
127 H ARG 20 HN ARG 20 -4.421 7.368 -4.485
128 HA ARG 20 HA ARG 20 -4.013 7.512 -1.683
129 1HB ARG 20 HB2 ARG 20 -5.797 9.152 -3.511
130 2HB ARG 20 HB1 ARG 20 -5.433 9.571 -1.820
131 1HG ARG 20 HG2 ARG 20 -3.094 9.816 -2.318
132 2HG ARG 20 HG1 ARG 20 -3.325 9.226 -3.970
133 1HD ARG 20 HD2 ARG 20 -4.820 11.166 -4.375
134 2HD ARG 20 HD1 ARG 20 -4.373 11.793 -2.779
135 HE ARG 20 HE ARG 20 -1.956 11.537 -3.765
136 1HH1 ARG 20 HH11 ARG 20 -4.832 12.799 -5.360
137 2HH1 ARG 20 HH12 ARG 20 -3.919 13.761 -6.446
138 1HH2 ARG 20 HH21 ARG 20 -0.790 12.822 -5.216
139 2HH2 ARG 20 HH22 ARG 20 -1.630 13.797 -6.376
140 H GLY 21 HN GLY 21 -4.913 6.469 -0.228
141 1HA GLY 21 HA2 GLY 21 -7.108 6.091 0.909
142 2HA GLY 21 HA1 GLY 21 -7.665 5.363 -0.594
143 H LEU 22 HN LEU 22 -4.896 4.304 -1.057
144 HA LEU 22 HA LEU 22 -5.099 1.942 0.723
145 1HB LEU 22 HB2 LEU 22 -3.736 2.220 -1.970
146 2HB LEU 22 HB1 LEU 22 -3.861 0.761 -1.000
147 HG LEU 22 HG LEU 22 -6.373 1.014 -1.307
148 1HD1 LEU 22 HD11 LEU 22 -5.480 2.936 -3.380
149 2HD1 LEU 22 HD12 LEU 22 -6.638 3.202 -2.081
150 3HD1 LEU 22 HD13 LEU 22 -7.036 2.126 -3.389
151 1HD2 LEU 22 HD21 LEU 22 -6.352 -0.221 -3.312
152 2HD2 LEU 22 HD22 LEU 22 -4.901 -0.666 -2.424
153 3HD2 LEU 22 HD23 LEU 22 -4.799 0.465 -3.776
154 H GLN 23 HN GLN 23 -3.283 1.019 1.545
155 HA GLN 23 HA GLN 23 -0.913 2.797 1.794
156 1HB GLN 23 HB2 GLN 23 -2.332 1.375 4.076
157 2HB GLN 23 HB1 GLN 23 -0.847 2.344 4.197
158 1HG GLN 23 HG2 GLN 23 -2.067 4.355 3.622
159 2HG GLN 23 HG1 GLN 23 -3.551 3.429 3.366
160 1HE2 GLN 23 HE21 GLN 23 -3.045 5.631 5.222
161 2HE2 GLN 23 HE22 GLN 23 -3.400 4.975 6.780
162 H CYS 24 HN CYS 24 0.875 1.850 1.475
163 HA CYS 24 HA CYS 24 1.153 -0.972 1.126
164 1HB CYS 24 HB2 CYS 24 3.023 1.330 1.157
165 2HB CYS 24 HB1 CYS 24 3.681 -0.289 1.334
166 H ARG 25 HN ARG 25 0.730 -2.230 2.687
167 HA ARG 25 HA ARG 25 1.923 -1.725 5.340
168 1HB ARG 25 HB2 ARG 25 -0.575 -2.279 4.979
169 2HB ARG 25 HB1 ARG 25 -0.067 -3.897 4.559
170 1HG ARG 25 HG2 ARG 25 -0.766 -3.818 6.850
171 2HG ARG 25 HG1 ARG 25 0.949 -4.179 6.798
172 1HD ARG 25 HD2 ARG 25 0.385 -2.586 8.544
173 2HD ARG 25 HD1 ARG 25 1.468 -1.837 7.376
174 HE ARG 25 HE ARG 25 -1.237 -1.263 6.664
175 1HH1 ARG 25 HH11 ARG 25 1.031 -0.504 9.243
176 2HH1 ARG 25 HH12 ARG 25 0.337 1.046 9.514
177 1HH2 ARG 25 HH21 ARG 25 -2.101 0.772 7.034
178 2HH2 ARG 25 HH22 ARG 25 -1.436 1.781 8.275
179 H TYR 26 HN TYR 26 2.857 -3.551 6.433
180 HA TYR 26 HA TYR 26 5.066 -4.541 5.197
181 1HB TYR 26 HB2 TYR 26 3.521 -5.668 7.540
182 2HB TYR 26 HB1 TYR 26 5.089 -6.314 7.045
183 HD1 TYR 26 HD1 TYR 26 3.347 -3.523 8.657
184 HD2 TYR 26 HD2 TYR 26 7.129 -4.971 7.273
185 HE1 TYR 26 HE1 TYR 26 4.495 -1.827 9.996
186 HE2 TYR 26 HE2 TYR 26 8.265 -3.272 8.618
187 HH TYR 26 HH TYR 26 7.048 -1.733 11.076
188 H GLY 27 HN GLY 27 4.851 -5.355 3.264
189 1HA GLY 27 HA2 GLY 27 5.019 -7.605 2.312
190 2HA GLY 27 HA1 GLY 27 3.443 -7.979 2.986
191 H LYS 28 HN LYS 28 2.056 -5.657 2.406
192 HA LYS 28 HA LYS 28 2.188 -5.164 -0.442
193 1HB LYS 28 HB2 LYS 28 0.081 -6.257 -1.031
194 2HB LYS 28 HB1 LYS 28 1.274 -7.425 -0.473
195 1HG LYS 28 HG2 LYS 28 0.216 -7.627 1.672
196 2HG LYS 28 HG1 LYS 28 -0.934 -6.325 1.300
197 1HD LYS 28 HD2 LYS 28 -1.907 -7.663 -0.504
198 2HD LYS 28 HD1 LYS 28 -0.747 -8.966 -0.185
199 1HE LYS 28 HE2 LYS 28 -1.685 -9.332 2.000
200 2HE LYS 28 HE1 LYS 28 -2.751 -7.956 1.830
201 1HZ LYS 28 HZ1 LYS 28 -3.903 -9.993 1.429
202 2HZ LYS 28 HZ2 LYS 28 -2.841 -10.427 0.191
203 3HZ LYS 28 HZ3 LYS 28 -3.876 -9.089 0.002
204 H CYS 29 HN CYS 29 0.522 -3.965 -1.250
205 HA CYS 29 HA CYS 29 -0.252 -1.845 0.517
206 1HB CYS 29 HB2 CYS 29 0.514 -1.477 -1.801
207 2HB CYS 29 HB1 CYS 29 -0.886 -2.276 -2.394
208 H LEU 30 HN LEU 30 -1.983 -1.724 1.600
209 HA LEU 30 HA LEU 30 -4.368 -3.288 0.757
210 1HB LEU 30 HB2 LEU 30 -3.384 -2.649 3.558
211 2HB LEU 30 HB1 LEU 30 -4.906 -3.459 3.172
212 HG LEU 30 HG LEU 30 -2.136 -4.551 2.595
213 1HD1 LEU 30 HD11 LEU 30 -2.662 -4.499 4.995
214 2HD1 LEU 30 HD12 LEU 30 -2.620 -6.135 4.351
215 3HD1 LEU 30 HD13 LEU 30 -4.174 -5.371 4.680
216 1HD2 LEU 30 HD21 LEU 30 -3.918 -6.618 2.457
217 2HD2 LEU 30 HD22 LEU 30 -3.236 -5.768 1.081
218 3HD2 LEU 30 HD23 LEU 30 -4.836 -5.340 1.683
219 H VAL 31 HN VAL 31 -6.062 -2.244 0.405
220 HA VAL 31 HA VAL 31 -6.313 0.582 0.854
221 HB VAL 31 HB VAL 31 -7.415 -0.503 -1.065
222 1HG1 VAL 31 HG11 VAL 31 -9.483 -1.673 0.670
223 2HG1 VAL 31 HG12 VAL 31 -8.021 -2.601 0.356
224 3HG1 VAL 31 HG13 VAL 31 -9.031 -2.059 -0.975
225 1HG2 VAL 31 HG21 VAL 31 -9.442 0.691 -0.979
226 2HG2 VAL 31 HG22 VAL 31 -8.307 1.641 -0.030
227 3HG2 VAL 31 HG23 VAL 31 -9.523 0.634 0.775
228 H GLN 32 HN GLN 32 -7.599 1.637 2.256
229 HA GLN 32 HA GLN 32 -7.664 0.457 4.856
230 1HB GLN 32 HB2 GLN 32 -7.276 2.898 4.371
231 2HB GLN 32 HB1 GLN 32 -8.968 3.061 3.932
232 1HG GLN 32 HG2 GLN 32 -8.575 3.816 6.189
233 2HG GLN 32 HG1 GLN 32 -9.650 2.428 6.211
234 1HE2 GLN 32 HE21 GLN 32 -6.510 3.669 7.047
235 2HE2 GLN 32 HE22 GLN 32 -6.027 2.305 7.991
236 H VAL 33 HN VAL 33 -8.872 -1.325 4.502
237 HA VAL 33 HA VAL 33 -11.730 -1.118 3.873
238 HB VAL 33 HB VAL 33 -11.767 -3.572 4.215
239 1HG1 VAL 33 HG11 VAL 33 -11.204 -2.546 1.999
240 2HG1 VAL 33 HG12 VAL 33 -10.593 -4.173 2.272
241 3HG1 VAL 33 HG13 VAL 33 -9.500 -2.808 2.396
242 1HG2 VAL 33 HG21 VAL 33 -10.038 -3.850 5.922
243 2HG2 VAL 33 HG22 VAL 33 -8.800 -3.266 4.804
244 3HG2 VAL 33 HG23 VAL 33 -9.635 -4.775 4.490
245 1HG HSL 34 HG1 HSL 34 -16.635 -1.037 7.978
246 2HG HSL 34 HG2 HSL 34 -15.544 -1.091 9.378
247 H HSL 34 HN HSL 34 -13.298 -1.893 5.203
248 HA HSL 34 HA HSL 34 -12.783 -1.913 7.841
249 1HB HSL 34 HB1 HSL 34 -14.054 -0.050 8.066
250 2HB HSL 34 HB2 HSL 34 -14.990 -0.388 6.605
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 -0.221 3.056 -13.434
2 2H ALA 1 HT2 ALA 1 -1.710 3.327 -12.652
3 3H ALA 1 HT3 ALA 1 -1.639 2.336 -14.014
4 HA ALA 1 HA ALA 1 -1.871 0.990 -12.068
5 1HB ALA 1 HB1 ALA 1 0.880 0.761 -13.315
6 2HB ALA 1 HB2 ALA 1 -0.626 0.122 -13.965
7 3HB ALA 1 HB3 ALA 1 0.010 -0.525 -12.457
8 H CYS 2 HN CYS 2 -2.044 2.072 -10.228
9 HA CYS 2 HA CYS 2 0.362 3.023 -8.798
10 1HB CYS 2 HB2 CYS 2 -1.186 3.960 -7.201
11 2HB CYS 2 HB1 CYS 2 -1.765 4.334 -8.817
12 H GLY 3 HN GLY 3 0.044 2.509 -6.323
13 1HA GLY 3 HA2 GLY 3 0.296 -0.270 -5.884
14 2HA GLY 3 HA1 GLY 3 0.188 0.951 -4.658
15 H ILE 4 HN ILE 4 -1.233 -1.672 -5.719
16 HA ILE 4 HA ILE 4 -4.041 -0.805 -5.200
17 HB ILE 4 HB ILE 4 -4.686 -2.797 -6.633
18 1HG1 ILE 4 HG12 ILE 4 -1.735 -2.682 -7.381
19 2HG1 ILE 4 HG11 ILE 4 -2.558 -4.035 -6.599
20 1HG2 ILE 4 HG21 ILE 4 -3.155 -0.608 -8.071
21 2HG2 ILE 4 HG22 ILE 4 -4.785 -0.453 -7.400
22 3HG2 ILE 4 HG23 ILE 4 -4.486 -1.595 -8.695
23 1HD1 ILE 4 HD11 ILE 4 -3.996 -4.138 -8.700
24 2HD1 ILE 4 HD12 ILE 4 -2.308 -4.625 -8.814
25 3HD1 ILE 4 HD13 ILE 4 -2.803 -3.043 -9.406
26 H LEU 5 HN LEU 5 -5.408 -2.626 -4.587
27 HA LEU 5 HA LEU 5 -4.616 -3.247 -1.940
28 1HB LEU 5 HB2 LEU 5 -6.810 -4.183 -1.673
29 2HB LEU 5 HB1 LEU 5 -6.878 -2.720 -2.626
30 HG LEU 5 HG LEU 5 -6.776 -4.517 -4.662
31 1HD1 LEU 5 HD11 LEU 5 -8.032 -5.971 -2.326
32 2HD1 LEU 5 HD12 LEU 5 -6.777 -6.537 -3.427
33 3HD1 LEU 5 HD13 LEU 5 -8.406 -6.326 -4.006
34 1HD2 LEU 5 HD21 LEU 5 -9.292 -3.724 -3.183
35 2HD2 LEU 5 HD22 LEU 5 -9.156 -4.254 -4.858
36 3HD2 LEU 5 HD23 LEU 5 -8.432 -2.727 -4.370
37 H HIS 6 HN HIS 6 -3.425 -4.725 -4.497
38 HA HIS 6 HA HIS 6 -2.720 -7.080 -2.983
39 1HB HIS 6 HB2 HIS 6 -3.328 -8.603 -4.915
40 2HB HIS 6 HB1 HIS 6 -4.678 -7.947 -4.007
41 HD1 HIS 6 HD1 HIS 6 -2.878 -7.351 -7.310
42 HD2 HIS 6 HD2 HIS 6 -6.572 -6.748 -5.520
43 HE1 HIS 6 HE1 HIS 6 -4.391 -6.505 -9.123
44 HE2 HIS 6 HE2 HIS 6 -6.627 -6.194 -8.026
45 H ASP 7 HN ASP 7 -1.342 -4.827 -3.657
46 HA ASP 7 HA ASP 7 0.671 -5.975 -5.547
47 1HB ASP 7 HB2 ASP 7 -0.201 -3.811 -6.282
48 2HB ASP 7 HB1 ASP 7 0.243 -3.049 -4.766
49 H ASN 8 HN ASN 8 2.285 -6.826 -4.611
50 HA ASN 8 HA ASN 8 2.879 -6.438 -1.837
51 1HB ASN 8 HB2 ASN 8 4.154 -7.991 -4.051
52 2HB ASN 8 HB1 ASN 8 5.043 -7.771 -2.542
53 1HD2 ASN 8 HD21 ASN 8 4.196 -8.656 -0.608
54 2HD2 ASN 8 HD22 ASN 8 3.056 -9.951 -0.689
55 H CYS 9 HN CYS 9 4.043 -5.004 -0.932
56 HA CYS 9 HA CYS 9 6.146 -3.546 -2.320
57 1HB CYS 9 HB2 CYS 9 5.083 -1.349 -1.921
58 2HB CYS 9 HB1 CYS 9 4.125 -2.352 -2.996
59 H VAL 10 HN VAL 10 7.288 -2.156 -1.007
60 HA VAL 10 HA VAL 10 7.488 -3.082 1.765
61 HB VAL 10 HB VAL 10 9.548 -2.781 0.485
62 1HG1 VAL 10 HG11 VAL 10 10.361 -0.709 -0.261
63 2HG1 VAL 10 HG12 VAL 10 9.075 0.198 0.503
64 3HG1 VAL 10 HG13 VAL 10 8.732 -0.812 -0.902
65 1HG2 VAL 10 HG21 VAL 10 9.486 -2.481 2.978
66 2HG2 VAL 10 HG22 VAL 10 9.426 -0.733 2.712
67 3HG2 VAL 10 HG23 VAL 10 10.803 -1.663 2.153
68 H TYR 11 HN TYR 11 6.881 -2.041 3.422
69 HA TYR 11 HA TYR 11 4.849 -0.034 3.177
70 1HB TYR 11 HB2 TYR 11 4.722 -0.220 5.683
71 2HB TYR 11 HB1 TYR 11 4.527 -1.713 4.797
72 HD1 TYR 11 HD1 TYR 11 6.361 -3.428 4.742
73 HD2 TYR 11 HD2 TYR 11 6.567 0.048 7.232
74 HE1 TYR 11 HE1 TYR 11 8.118 -4.477 6.068
75 HE2 TYR 11 HE2 TYR 11 8.325 -1.018 8.557
76 HH TYR 11 HH TYR 11 10.147 -3.409 7.630
77 H VAL 12 HN VAL 12 6.227 1.488 2.118
78 HA VAL 12 HA VAL 12 7.500 3.301 4.111
79 HB VAL 12 HB VAL 12 8.815 4.264 2.222
80 1HG1 VAL 12 HG11 VAL 12 9.831 2.743 3.842
81 2HG1 VAL 12 HG12 VAL 12 10.509 2.535 2.232
82 3HG1 VAL 12 HG13 VAL 12 9.356 1.358 2.849
83 1HG2 VAL 12 HG21 VAL 12 7.605 3.510 0.274
84 2HG2 VAL 12 HG22 VAL 12 7.792 1.833 0.740
85 3HG2 VAL 12 HG23 VAL 12 9.186 2.766 0.261
86 HA PRO 13 HA PRO 13 3.516 5.157 2.898
87 1HB PRO 13 HB2 PRO 13 4.294 6.774 5.298
88 2HB PRO 13 HB1 PRO 13 2.763 5.991 4.880
89 1HG PRO 13 HG2 PRO 13 4.390 4.974 6.715
90 2HG PRO 13 HG1 PRO 13 3.483 3.912 5.637
91 1HD PRO 13 HD2 PRO 13 6.375 4.682 5.575
92 2HD PRO 13 HD1 PRO 13 5.560 3.153 5.228
93 H ALA 14 HN ALA 14 6.539 6.679 3.838
94 HA ALA 14 HA ALA 14 6.155 9.258 2.894
95 1HB ALA 14 HB1 ALA 14 8.589 9.424 2.813
96 2HB ALA 14 HB2 ALA 14 8.729 7.656 2.892
97 3HB ALA 14 HB3 ALA 14 8.051 8.553 4.245
98 H GLN 15 HN GLN 15 6.791 6.314 1.206
99 HA GLN 15 HA GLN 15 6.579 7.729 -1.371
100 1HB GLN 15 HB2 GLN 15 8.913 6.931 -0.786
101 2HB GLN 15 HB1 GLN 15 8.307 5.292 -0.730
102 1HG GLN 15 HG2 GLN 15 9.428 5.748 -2.813
103 2HG GLN 15 HG1 GLN 15 7.743 5.389 -3.126
104 1HE2 GLN 15 HE21 GLN 15 6.387 7.048 -3.895
105 2HE2 GLN 15 HE22 GLN 15 7.048 8.534 -4.475
106 H ASN 16 HN ASN 16 4.457 6.846 0.040
107 HA ASN 16 HA ASN 16 3.642 4.204 -0.327
108 1HB ASN 16 HB2 ASN 16 2.530 5.841 1.155
109 2HB ASN 16 HB1 ASN 16 1.854 6.669 -0.234
110 1HD2 ASN 16 HD21 ASN 16 -0.294 6.271 0.246
111 2HD2 ASN 16 HD22 ASN 16 -0.960 4.680 0.270
112 HA PRO 17 HA PRO 17 3.400 4.480 -4.806
113 1HB PRO 17 HB2 PRO 17 3.165 1.834 -5.246
114 2HB PRO 17 HB1 PRO 17 4.664 2.553 -4.652
115 1HG PRO 17 HG2 PRO 17 2.511 1.175 -3.065
116 2HG PRO 17 HG1 PRO 17 4.268 0.929 -3.035
117 1HD PRO 17 HD2 PRO 17 2.980 2.448 -1.234
118 2HD PRO 17 HD1 PRO 17 4.655 2.779 -1.739
119 H CYS 18 HN CYS 18 1.089 3.602 -2.540
120 HA CYS 18 HA CYS 18 -0.840 2.434 -4.235
121 1HB CYS 18 HB2 CYS 18 -1.060 3.386 -1.405
122 2HB CYS 18 HB1 CYS 18 -2.177 2.338 -2.244
123 H CYS 19 HN CYS 19 -2.771 3.127 -4.840
124 HA CYS 19 HA CYS 19 -3.125 5.869 -5.454
125 1HB CYS 19 HB2 CYS 19 -4.941 3.477 -5.346
126 2HB CYS 19 HB1 CYS 19 -5.666 5.072 -5.546
127 H ARG 20 HN ARG 20 -4.486 7.366 -4.589
128 HA ARG 20 HA ARG 20 -3.873 7.729 -1.814
129 1HB ARG 20 HB2 ARG 20 -5.775 9.355 -3.539
130 2HB ARG 20 HB1 ARG 20 -5.021 9.854 -2.006
131 1HG ARG 20 HG2 ARG 20 -2.789 9.657 -3.117
132 2HG ARG 20 HG1 ARG 20 -3.625 9.315 -4.640
133 1HD ARG 20 HD2 ARG 20 -3.059 11.596 -4.631
134 2HD ARG 20 HD1 ARG 20 -4.809 11.499 -4.395
135 HE ARG 20 HE ARG 20 -3.181 11.676 -1.960
136 1HH1 ARG 20 HH11 ARG 20 -4.969 13.498 -4.402
137 2HH1 ARG 20 HH12 ARG 20 -5.174 14.851 -3.367
138 1HH2 ARG 20 HH21 ARG 20 -3.463 13.487 -0.649
139 2HH2 ARG 20 HH22 ARG 20 -4.324 14.866 -1.245
140 H GLY 21 HN GLY 21 -4.729 6.526 -0.410
141 1HA GLY 21 HA2 GLY 21 -6.936 6.502 0.891
142 2HA GLY 21 HA1 GLY 21 -7.603 5.750 -0.556
143 H LEU 22 HN LEU 22 -4.974 4.429 -1.058
144 HA LEU 22 HA LEU 22 -5.319 2.176 0.826
145 1HB LEU 22 HB2 LEU 22 -3.980 2.333 -1.875
146 2HB LEU 22 HB1 LEU 22 -3.981 0.909 -0.843
147 HG LEU 22 HG LEU 22 -6.525 0.976 -1.048
148 1HD1 LEU 22 HD11 LEU 22 -5.816 3.018 -3.137
149 2HD1 LEU 22 HD12 LEU 22 -6.980 3.142 -1.815
150 3HD1 LEU 22 HD13 LEU 22 -7.301 2.073 -3.156
151 1HD2 LEU 22 HD21 LEU 22 -6.506 -0.157 -3.162
152 2HD2 LEU 22 HD22 LEU 22 -5.107 -0.650 -2.216
153 3HD2 LEU 22 HD23 LEU 22 -4.918 0.501 -3.552
154 H GLN 23 HN GLN 23 -3.677 1.268 1.848
155 HA GLN 23 HA GLN 23 -1.177 2.878 2.025
156 1HB GLN 23 HB2 GLN 23 -2.417 3.197 4.072
157 2HB GLN 23 HB1 GLN 23 -2.743 1.474 4.200
158 1HG GLN 23 HG2 GLN 23 -1.068 2.148 5.772
159 2HG GLN 23 HG1 GLN 23 -0.394 0.988 4.648
160 1HE2 GLN 23 HE21 GLN 23 1.739 1.611 4.839
161 2HE2 GLN 23 HE22 GLN 23 2.292 3.159 4.324
162 H CYS 24 HN CYS 24 0.554 1.912 1.570
163 HA CYS 24 HA CYS 24 0.757 -0.863 0.994
164 1HB CYS 24 HB2 CYS 24 2.198 0.747 -0.080
165 2HB CYS 24 HB1 CYS 24 2.923 1.173 1.460
166 H ARG 25 HN ARG 25 0.314 -2.207 2.515
167 HA ARG 25 HA ARG 25 1.241 -1.815 5.255
168 1HB ARG 25 HB2 ARG 25 -0.524 -3.828 3.849
169 2HB ARG 25 HB1 ARG 25 0.038 -4.165 5.473
170 1HG ARG 25 HG2 ARG 25 -1.532 -1.694 4.655
171 2HG ARG 25 HG1 ARG 25 -2.217 -3.164 5.340
172 1HD ARG 25 HD2 ARG 25 -1.317 -2.840 7.394
173 2HD ARG 25 HD1 ARG 25 0.028 -1.855 6.829
174 HE ARG 25 HE ARG 25 -2.542 -0.583 6.482
175 1HH1 ARG 25 HH11 ARG 25 -0.027 -1.304 8.841
176 2HH1 ARG 25 HH12 ARG 25 -0.286 0.154 9.709
177 1HH2 ARG 25 HH21 ARG 25 -2.830 1.314 7.680
178 2HH2 ARG 25 HH22 ARG 25 -1.901 1.650 9.070
179 H TYR 26 HN TYR 26 1.937 -3.955 6.289
180 HA TYR 26 HA TYR 26 4.635 -4.165 5.518
181 1HB TYR 26 HB2 TYR 26 2.942 -5.670 7.495
182 2HB TYR 26 HB1 TYR 26 4.658 -6.037 7.273
183 HD1 TYR 26 HD1 TYR 26 2.681 -2.825 7.533
184 HD2 TYR 26 HD2 TYR 26 5.872 -5.216 9.086
185 HE1 TYR 26 HE1 TYR 26 3.229 -1.066 9.104
186 HE2 TYR 26 HE2 TYR 26 6.458 -3.404 10.616
187 HH TYR 26 HH TYR 26 6.003 -0.706 10.666
188 H GLY 27 HN GLY 27 4.634 -4.721 3.407
189 1HA GLY 27 HA2 GLY 27 5.541 -6.616 2.253
190 2HA GLY 27 HA1 GLY 27 4.283 -7.642 2.913
191 H LYS 28 HN LYS 28 2.328 -5.334 2.409
192 HA LYS 28 HA LYS 28 2.081 -5.294 -0.460
193 1HB LYS 28 HB2 LYS 28 0.049 -6.639 -0.580
194 2HB LYS 28 HB1 LYS 28 1.417 -7.567 0.027
195 1HG LYS 28 HG2 LYS 28 0.584 -7.308 2.351
196 2HG LYS 28 HG1 LYS 28 -0.783 -6.367 1.747
197 1HD LYS 28 HD2 LYS 28 -1.478 -8.609 2.163
198 2HD LYS 28 HD1 LYS 28 -1.569 -8.282 0.433
199 1HE LYS 28 HE2 LYS 28 0.549 -9.497 0.095
200 2HE LYS 28 HE1 LYS 28 0.682 -9.758 1.842
201 1HZ LYS 28 HZ1 LYS 28 -1.345 -11.078 1.736
202 2HZ LYS 28 HZ2 LYS 28 -0.154 -11.668 0.696
203 3HZ LYS 28 HZ3 LYS 28 -1.458 -10.808 0.058
204 H CYS 29 HN CYS 29 0.514 -4.091 -1.234
205 HA CYS 29 HA CYS 29 -0.389 -1.952 0.466
206 1HB CYS 29 HB2 CYS 29 0.466 -1.517 -1.783
207 2HB CYS 29 HB1 CYS 29 -0.819 -2.448 -2.474
208 H LEU 30 HN LEU 30 -2.208 -1.726 1.370
209 HA LEU 30 HA LEU 30 -4.563 -3.284 0.434
210 1HB LEU 30 HB2 LEU 30 -3.587 -2.954 3.298
211 2HB LEU 30 HB1 LEU 30 -5.142 -3.652 2.840
212 HG LEU 30 HG LEU 30 -2.432 -4.833 2.149
213 1HD1 LEU 30 HD11 LEU 30 -2.882 -4.953 4.544
214 2HD1 LEU 30 HD12 LEU 30 -2.991 -6.528 3.783
215 3HD1 LEU 30 HD13 LEU 30 -4.466 -5.671 4.223
216 1HD2 LEU 30 HD21 LEU 30 -3.774 -6.799 1.525
217 2HD2 LEU 30 HD22 LEU 30 -4.105 -5.438 0.475
218 3HD2 LEU 30 HD23 LEU 30 -5.253 -5.874 1.749
219 H VAL 31 HN VAL 31 -6.517 -2.466 1.049
220 HA VAL 31 HA VAL 31 -6.691 0.386 0.792
221 HB VAL 31 HB VAL 31 -8.884 -1.590 1.517
222 1HG1 VAL 31 HG11 VAL 31 -8.934 1.317 0.648
223 2HG1 VAL 31 HG12 VAL 31 -9.670 0.582 2.083
224 3HG1 VAL 31 HG13 VAL 31 -10.315 0.238 0.492
225 1HG2 VAL 31 HG21 VAL 31 -7.819 -2.135 -0.623
226 2HG2 VAL 31 HG22 VAL 31 -8.100 -0.486 -1.194
227 3HG2 VAL 31 HG23 VAL 31 -9.457 -1.543 -0.829
228 H GLN 32 HN GLN 32 -6.396 1.775 2.265
229 HA GLN 32 HA GLN 32 -6.340 0.962 5.075
230 1HB GLN 32 HB2 GLN 32 -4.455 2.177 4.146
231 2HB GLN 32 HB1 GLN 32 -5.435 3.532 3.706
232 1HG GLN 32 HG2 GLN 32 -4.242 4.036 5.711
233 2HG GLN 32 HG1 GLN 32 -5.943 3.922 6.114
234 1HE2 GLN 32 HE21 GLN 32 -5.575 3.482 8.287
235 2HE2 GLN 32 HE22 GLN 32 -4.882 1.987 8.806
236 H VAL 33 HN VAL 33 -7.610 1.734 6.575
237 HA VAL 33 HA VAL 33 -10.085 3.083 5.804
238 HB VAL 33 HB VAL 33 -9.136 2.418 8.621
239 1HG1 VAL 33 HG11 VAL 33 -11.594 2.346 9.027
240 2HG1 VAL 33 HG12 VAL 33 -11.858 2.997 7.414
241 3HG1 VAL 33 HG13 VAL 33 -10.995 3.947 8.633
242 1HG2 VAL 33 HG21 VAL 33 -10.402 0.358 8.440
243 2HG2 VAL 33 HG22 VAL 33 -9.080 0.368 7.283
244 3HG2 VAL 33 HG23 VAL 33 -10.739 0.668 6.739
245 1HG HSL 34 HG1 HSL 34 -5.918 7.893 3.600
246 2HG HSL 34 HG2 HSL 34 -5.867 8.609 5.224
247 H HSL 34 HN HSL 34 -8.682 4.763 4.916
248 HA HSL 34 HA HSL 34 -7.994 6.632 6.718
249 1HB HSL 34 HB1 HSL 34 -6.322 5.848 4.413
250 2HB HSL 34 HB2 HSL 34 -5.852 6.501 5.987
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 2.526 3.247 -12.802
2 2H ALA 1 HT2 ALA 1 1.488 4.584 -12.612
3 3H ALA 1 HT3 ALA 1 1.343 3.588 -13.964
4 HA ALA 1 HA ALA 1 -0.424 3.121 -12.453
5 1HB ALA 1 HB1 ALA 1 1.614 0.881 -12.569
6 2HB ALA 1 HB2 ALA 1 0.457 1.319 -13.821
7 3HB ALA 1 HB3 ALA 1 -0.128 0.694 -12.283
8 H CYS 2 HN CYS 2 -1.144 3.189 -10.506
9 HA CYS 2 HA CYS 2 0.710 3.470 -8.245
10 1HB CYS 2 HB2 CYS 2 -1.209 4.152 -6.985
11 2HB CYS 2 HB1 CYS 2 -1.334 4.913 -8.566
12 H GLY 3 HN GLY 3 0.654 2.161 -6.473
13 1HA GLY 3 HA2 GLY 3 0.298 -0.550 -6.626
14 2HA GLY 3 HA1 GLY 3 0.281 0.346 -5.128
15 H ILE 4 HN ILE 4 -1.369 -1.805 -6.629
16 HA ILE 4 HA ILE 4 -4.075 -0.693 -6.399
17 HB ILE 4 HB ILE 4 -4.726 -2.955 -7.444
18 1HG1 ILE 4 HG12 ILE 4 -1.728 -3.075 -7.886
19 2HG1 ILE 4 HG11 ILE 4 -2.674 -4.200 -6.888
20 1HG2 ILE 4 HG21 ILE 4 -2.942 -1.147 -9.077
21 2HG2 ILE 4 HG22 ILE 4 -4.626 -0.813 -8.646
22 3HG2 ILE 4 HG23 ILE 4 -4.245 -2.202 -9.646
23 1HD1 ILE 4 HD11 ILE 4 -2.759 -3.831 -9.867
24 2HD1 ILE 4 HD12 ILE 4 -3.882 -4.854 -8.955
25 3HD1 ILE 4 HD13 ILE 4 -2.156 -5.203 -8.946
26 H LEU 5 HN LEU 5 -5.631 -2.643 -5.870
27 HA LEU 5 HA LEU 5 -6.188 -2.322 -3.380
28 1HB LEU 5 HB2 LEU 5 -7.600 -4.291 -3.352
29 2HB LEU 5 HB1 LEU 5 -7.653 -3.471 -4.895
30 HG LEU 5 HG LEU 5 -6.000 -5.948 -4.434
31 1HD1 LEU 5 HD11 LEU 5 -8.359 -6.447 -4.053
32 2HD1 LEU 5 HD12 LEU 5 -7.738 -7.183 -5.524
33 3HD1 LEU 5 HD13 LEU 5 -8.747 -5.743 -5.633
34 1HD2 LEU 5 HD21 LEU 5 -6.801 -4.432 -6.912
35 2HD2 LEU 5 HD22 LEU 5 -6.160 -6.074 -6.920
36 3HD2 LEU 5 HD23 LEU 5 -5.169 -4.765 -6.313
37 H HIS 6 HN HIS 6 -4.092 -5.012 -4.346
38 HA HIS 6 HA HIS 6 -3.043 -5.090 -1.610
39 1HB HIS 6 HB2 HIS 6 -3.254 -7.492 -1.393
40 2HB HIS 6 HB1 HIS 6 -4.838 -6.785 -1.673
41 HD1 HIS 6 HD1 HIS 6 -2.139 -8.679 -3.559
42 HD2 HIS 6 HD2 HIS 6 -6.206 -7.885 -3.738
43 HE1 HIS 6 HE1 HIS 6 -2.990 -9.979 -5.517
44 HE2 HIS 6 HE2 HIS 6 -5.428 -9.373 -5.702
45 H ASP 7 HN ASP 7 -1.968 -3.972 -3.847
46 HA ASP 7 HA ASP 7 -0.133 -5.830 -5.092
47 1HB ASP 7 HB2 ASP 7 -0.808 -3.959 -6.347
48 2HB ASP 7 HB1 ASP 7 -0.319 -2.795 -5.151
49 H ASN 8 HN ASN 8 1.793 -6.325 -4.522
50 HA ASN 8 HA ASN 8 2.643 -5.942 -1.862
51 1HB ASN 8 HB2 ASN 8 4.026 -7.146 -4.216
52 2HB ASN 8 HB1 ASN 8 4.718 -7.147 -2.588
53 1HD2 ASN 8 HD21 ASN 8 4.748 -9.382 -2.461
54 2HD2 ASN 8 HD22 ASN 8 3.288 -10.291 -2.294
55 H CYS 9 HN CYS 9 4.062 -4.703 -0.922
56 HA CYS 9 HA CYS 9 5.765 -2.922 -2.416
57 1HB CYS 9 HB2 CYS 9 4.788 -0.851 -1.495
58 2HB CYS 9 HB1 CYS 9 3.647 -1.713 -2.509
59 H VAL 10 HN VAL 10 7.105 -1.700 -1.149
60 HA VAL 10 HA VAL 10 7.748 -2.895 1.473
61 HB VAL 10 HB VAL 10 9.749 -1.420 1.411
62 1HG1 VAL 10 HG11 VAL 10 9.858 -3.698 0.518
63 2HG1 VAL 10 HG12 VAL 10 10.915 -2.587 -0.345
64 3HG1 VAL 10 HG13 VAL 10 9.397 -3.093 -1.084
65 1HG2 VAL 10 HG21 VAL 10 10.308 -0.192 -0.580
66 2HG2 VAL 10 HG22 VAL 10 8.793 0.433 0.027
67 3HG2 VAL 10 HG23 VAL 10 8.811 -0.645 -1.369
68 H TYR 11 HN TYR 11 7.806 -1.779 3.327
69 HA TYR 11 HA TYR 11 5.499 -0.086 3.648
70 1HB TYR 11 HB2 TYR 11 6.291 -1.824 5.268
71 2HB TYR 11 HB1 TYR 11 7.628 -0.777 5.716
72 HD1 TYR 11 HD1 TYR 11 7.274 1.084 7.211
73 HD2 TYR 11 HD2 TYR 11 3.931 -1.109 5.735
74 HE1 TYR 11 HE1 TYR 11 5.819 2.192 8.838
75 HE2 TYR 11 HE2 TYR 11 2.492 -0.046 7.398
76 HH TYR 11 HH TYR 11 3.081 2.678 8.803
77 H VAL 12 HN VAL 12 6.166 1.527 2.203
78 HA VAL 12 HA VAL 12 7.810 3.637 3.494
79 HB VAL 12 HB VAL 12 7.782 2.944 0.546
80 1HG1 VAL 12 HG11 VAL 12 7.865 5.308 0.715
81 2HG1 VAL 12 HG12 VAL 12 9.506 4.776 0.457
82 3HG1 VAL 12 HG13 VAL 12 8.993 5.273 2.068
83 1HG2 VAL 12 HG21 VAL 12 10.152 2.529 0.855
84 2HG2 VAL 12 HG22 VAL 12 9.207 1.445 1.862
85 3HG2 VAL 12 HG23 VAL 12 10.022 2.841 2.584
86 HA PRO 13 HA PRO 13 3.565 5.140 3.010
87 1HB PRO 13 HB2 PRO 13 4.440 7.142 4.998
88 2HB PRO 13 HB1 PRO 13 3.166 5.922 5.078
89 1HG PRO 13 HG2 PRO 13 5.441 5.750 6.504
90 2HG PRO 13 HG1 PRO 13 4.570 4.317 5.926
91 1HD PRO 13 HD2 PRO 13 7.032 5.635 4.808
92 2HD PRO 13 HD1 PRO 13 6.634 3.913 5.053
93 H ALA 14 HN ALA 14 6.319 7.329 3.485
94 HA ALA 14 HA ALA 14 5.049 9.625 2.439
95 1HB ALA 14 HB1 ALA 14 7.256 10.634 2.479
96 2HB ALA 14 HB2 ALA 14 8.006 9.037 2.680
97 3HB ALA 14 HB3 ALA 14 6.958 9.689 3.934
98 H GLN 15 HN GLN 15 7.035 7.131 1.025
99 HA GLN 15 HA GLN 15 6.621 8.333 -1.679
100 1HB GLN 15 HB2 GLN 15 8.962 8.227 -0.940
101 2HB GLN 15 HB1 GLN 15 8.839 6.511 -0.675
102 1HG GLN 15 HG2 GLN 15 8.020 7.036 -3.394
103 2HG GLN 15 HG1 GLN 15 9.458 7.967 -3.035
104 1HE2 GLN 15 HE21 GLN 15 8.120 4.727 -3.145
105 2HE2 GLN 15 HE22 GLN 15 9.652 3.939 -3.243
106 H ASN 16 HN ASN 16 4.662 6.877 -0.364
107 HA ASN 16 HA ASN 16 4.730 4.095 -1.010
108 1HB ASN 16 HB2 ASN 16 3.397 4.906 0.837
109 2HB ASN 16 HB1 ASN 16 2.417 5.895 -0.211
110 1HD2 ASN 16 HD21 ASN 16 0.562 4.797 0.577
111 2HD2 ASN 16 HD22 ASN 16 0.211 3.190 0.069
112 HA PRO 17 HA PRO 17 3.629 5.025 -5.288
113 1HB PRO 17 HB2 PRO 17 4.626 2.755 -6.331
114 2HB PRO 17 HB1 PRO 17 5.674 4.028 -5.709
115 1HG PRO 17 HG2 PRO 17 4.915 1.441 -4.429
116 2HG PRO 17 HG1 PRO 17 6.474 2.282 -4.453
117 1HD PRO 17 HD2 PRO 17 4.623 2.346 -2.375
118 2HD PRO 17 HD1 PRO 17 5.980 3.457 -2.622
119 H CYS 18 HN CYS 18 1.616 4.528 -3.666
120 HA CYS 18 HA CYS 18 0.038 2.395 -4.857
121 1HB CYS 18 HB2 CYS 18 1.188 1.664 -2.684
122 2HB CYS 18 HB1 CYS 18 0.131 2.806 -1.904
123 H CYS 19 HN CYS 19 -2.081 2.806 -4.960
124 HA CYS 19 HA CYS 19 -2.705 5.553 -5.256
125 1HB CYS 19 HB2 CYS 19 -4.153 2.999 -5.529
126 2HB CYS 19 HB1 CYS 19 -5.195 4.355 -5.124
127 H ARG 20 HN ARG 20 -4.058 6.885 -4.223
128 HA ARG 20 HA ARG 20 -3.654 6.792 -1.396
129 1HB ARG 20 HB2 ARG 20 -3.614 8.882 -2.952
130 2HB ARG 20 HB1 ARG 20 -5.359 8.863 -2.812
131 1HG ARG 20 HG2 ARG 20 -4.674 10.374 -1.192
132 2HG ARG 20 HG1 ARG 20 -5.018 8.928 -0.251
133 1HD ARG 20 HD2 ARG 20 -2.353 10.058 -1.080
134 2HD ARG 20 HD1 ARG 20 -2.981 9.836 0.545
135 HE ARG 20 HE ARG 20 -2.878 7.350 0.081
136 1HH1 ARG 20 HH11 ARG 20 -0.526 9.691 -1.081
137 2HH1 ARG 20 HH12 ARG 20 0.653 8.490 -1.399
138 1HH2 ARG 20 HH21 ARG 20 -1.316 5.780 -0.445
139 2HH2 ARG 20 HH22 ARG 20 0.234 6.278 -1.037
140 H GLY 21 HN GLY 21 -4.887 6.165 0.108
141 1HA GLY 21 HA2 GLY 21 -7.095 5.760 0.989
142 2HA GLY 21 HA1 GLY 21 -7.657 5.288 -0.609
143 H LEU 22 HN LEU 22 -4.685 4.135 -0.635
144 HA LEU 22 HA LEU 22 -5.338 1.594 0.751
145 1HB LEU 22 HB2 LEU 22 -3.583 2.133 -1.664
146 2HB LEU 22 HB1 LEU 22 -3.666 0.594 -0.819
147 HG LEU 22 HG LEU 22 -6.100 0.475 -1.421
148 1HD1 LEU 22 HD11 LEU 22 -6.368 2.038 -3.631
149 2HD1 LEU 22 HD12 LEU 22 -5.534 3.135 -2.549
150 3HD1 LEU 22 HD13 LEU 22 -7.038 2.387 -2.054
151 1HD2 LEU 22 HD21 LEU 22 -5.698 -0.194 -3.696
152 2HD2 LEU 22 HD22 LEU 22 -4.376 -0.726 -2.664
153 3HD2 LEU 22 HD23 LEU 22 -4.166 0.678 -3.727
154 H GLN 23 HN GLN 23 -3.958 0.770 2.069
155 HA GLN 23 HA GLN 23 -1.722 2.502 2.991
156 1HB GLN 23 HB2 GLN 23 -1.924 1.310 5.135
157 2HB GLN 23 HB1 GLN 23 -3.367 2.146 4.665
158 1HG GLN 23 HG2 GLN 23 -4.433 0.092 3.958
159 2HG GLN 23 HG1 GLN 23 -2.976 -0.811 4.339
160 1HE2 GLN 23 HE21 GLN 23 -5.700 -1.129 5.333
161 2HE2 GLN 23 HE22 GLN 23 -5.550 -0.956 7.045
162 H CYS 24 HN CYS 24 0.194 1.895 2.501
163 HA CYS 24 HA CYS 24 0.761 -0.805 1.557
164 1HB CYS 24 HB2 CYS 24 1.847 1.038 0.504
165 2HB CYS 24 HB1 CYS 24 2.597 1.573 2.002
166 H ARG 25 HN ARG 25 0.573 -2.225 3.062
167 HA ARG 25 HA ARG 25 1.910 -1.842 5.677
168 1HB ARG 25 HB2 ARG 25 -0.113 -3.851 4.621
169 2HB ARG 25 HB1 ARG 25 0.651 -4.031 6.205
170 1HG ARG 25 HG2 ARG 25 -1.074 -1.688 5.313
171 2HG ARG 25 HG1 ARG 25 -1.567 -3.036 6.333
172 1HD ARG 25 HD2 ARG 25 -0.240 -2.398 8.106
173 2HD ARG 25 HD1 ARG 25 0.786 -1.349 7.134
174 HE ARG 25 HE ARG 25 -1.942 -0.503 7.265
175 1HH1 ARG 25 HH11 ARG 25 1.104 -0.430 8.984
176 2HH1 ARG 25 HH12 ARG 25 0.795 1.119 9.656
177 1HH2 ARG 25 HH21 ARG 25 -2.326 1.543 8.167
178 2HH2 ARG 25 HH22 ARG 25 -1.140 2.239 9.220
179 H TYR 26 HN TYR 26 3.008 -3.650 6.563
180 HA TYR 26 HA TYR 26 5.333 -4.146 5.108
181 1HB TYR 26 HB2 TYR 26 4.168 -5.691 7.447
182 2HB TYR 26 HB1 TYR 26 5.808 -5.922 6.831
183 HD1 TYR 26 HD1 TYR 26 7.536 -4.250 7.214
184 HD2 TYR 26 HD2 TYR 26 3.556 -3.643 8.659
185 HE1 TYR 26 HE1 TYR 26 8.328 -2.443 8.659
186 HE2 TYR 26 HE2 TYR 26 4.373 -1.891 10.153
187 HH TYR 26 HH TYR 26 6.992 -0.250 9.732
188 H GLY 27 HN GLY 27 5.002 -4.861 3.137
189 1HA GLY 27 HA2 GLY 27 5.324 -7.080 2.067
190 2HA GLY 27 HA1 GLY 27 3.805 -7.579 2.788
191 H LYS 28 HN LYS 28 2.216 -5.354 2.370
192 HA LYS 28 HA LYS 28 2.203 -4.653 -0.427
193 1HB LYS 28 HB2 LYS 28 0.127 -5.965 -0.985
194 2HB LYS 28 HB1 LYS 28 1.566 -6.939 -0.735
195 1HG LYS 28 HG2 LYS 28 0.882 -7.495 1.529
196 2HG LYS 28 HG1 LYS 28 -0.613 -6.553 1.302
197 1HD LYS 28 HD2 LYS 28 -1.351 -8.027 -0.456
198 2HD LYS 28 HD1 LYS 28 0.189 -8.904 -0.447
199 1HE LYS 28 HE2 LYS 28 -1.552 -10.136 0.696
200 2HE LYS 28 HE1 LYS 28 -0.268 -9.698 1.821
201 1HZ LYS 28 HZ1 LYS 28 -1.624 -8.090 2.827
202 2HZ LYS 28 HZ2 LYS 28 -2.654 -9.395 2.556
203 3HZ LYS 28 HZ3 LYS 28 -2.739 -8.049 1.543
204 H CYS 29 HN CYS 29 0.127 -3.809 -1.130
205 HA CYS 29 HA CYS 29 -0.773 -1.825 0.716
206 1HB CYS 29 HB2 CYS 29 -1.610 -2.532 -2.098
207 2HB CYS 29 HB1 CYS 29 -2.308 -1.188 -1.187
208 H LEU 30 HN LEU 30 -2.609 -1.677 1.735
209 HA LEU 30 HA LEU 30 -4.715 -3.720 1.307
210 1HB LEU 30 HB2 LEU 30 -3.818 -2.477 3.910
211 2HB LEU 30 HB1 LEU 30 -5.266 -3.436 3.737
212 HG LEU 30 HG LEU 30 -2.417 -4.393 3.351
213 1HD1 LEU 30 HD11 LEU 30 -3.255 -3.868 5.721
214 2HD1 LEU 30 HD12 LEU 30 -2.613 -5.470 5.398
215 3HD1 LEU 30 HD13 LEU 30 -4.355 -5.227 5.496
216 1HD2 LEU 30 HD21 LEU 30 -5.078 -5.835 3.138
217 2HD2 LEU 30 HD22 LEU 30 -3.517 -6.631 3.297
218 3HD2 LEU 30 HD23 LEU 30 -3.847 -5.660 1.880
219 H VAL 31 HN VAL 31 -6.477 -2.965 0.727
220 HA VAL 31 HA VAL 31 -6.953 -0.191 0.302
221 HB VAL 31 HB VAL 31 -9.388 -1.012 -0.133
222 1HG1 VAL 31 HG11 VAL 31 -8.643 -2.083 -2.288
223 2HG1 VAL 31 HG12 VAL 31 -6.995 -1.888 -1.705
224 3HG1 VAL 31 HG13 VAL 31 -8.009 -0.472 -1.960
225 1HG2 VAL 31 HG21 VAL 31 -9.020 -3.181 1.195
226 2HG2 VAL 31 HG22 VAL 31 -8.043 -3.719 -0.174
227 3HG2 VAL 31 HG23 VAL 31 -9.732 -3.312 -0.404
228 H GLN 32 HN GLN 32 -6.937 1.051 1.944
229 HA GLN 32 HA GLN 32 -8.118 0.692 4.499
230 1HB GLN 32 HB2 GLN 32 -7.796 3.300 2.961
231 2HB GLN 32 HB1 GLN 32 -8.051 3.131 4.694
232 1HG GLN 32 HG2 GLN 32 -5.904 2.208 5.038
233 2HG GLN 32 HG1 GLN 32 -5.603 2.038 3.303
234 1HE2 GLN 32 HE21 GLN 32 -4.094 3.544 5.378
235 2HE2 GLN 32 HE22 GLN 32 -4.014 5.133 4.744
236 H VAL 33 HN VAL 33 -9.178 2.196 1.554
237 HA VAL 33 HA VAL 33 -11.884 2.699 2.542
238 HB VAL 33 HB VAL 33 -12.261 3.656 0.254
239 1HG1 VAL 33 HG11 VAL 33 -10.891 5.611 0.582
240 2HG1 VAL 33 HG12 VAL 33 -9.845 4.750 1.708
241 3HG1 VAL 33 HG13 VAL 33 -11.540 5.064 2.124
242 1HG2 VAL 33 HG21 VAL 33 -10.337 4.026 -1.197
243 2HG2 VAL 33 HG22 VAL 33 -10.631 2.312 -1.046
244 3HG2 VAL 33 HG23 VAL 33 -9.312 3.066 -0.161
245 1HG HSL 34 HG1 HSL 34 -12.463 -4.178 1.173
246 2HG HSL 34 HG2 HSL 34 -11.739 -3.962 2.780
247 H HSL 34 HN HSL 34 -11.834 0.308 2.940
248 HA HSL 34 HA HSL 34 -13.257 -1.073 0.550
249 1HB HSL 34 HB1 HSL 34 -11.010 -1.906 2.276
250 2HB HSL 34 HB2 HSL 34 -11.361 -2.314 0.593
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 3.887 1.762 -12.878
2 2H ALA 1 HT2 ALA 1 4.566 2.209 -11.396
3 3H ALA 1 HT3 ALA 1 3.301 3.126 -12.074
4 HA ALA 1 HA ALA 1 1.795 1.245 -11.885
5 1HB ALA 1 HB1 ALA 1 4.103 -0.122 -10.479
6 2HB ALA 1 HB2 ALA 1 3.471 -0.498 -12.077
7 3HB ALA 1 HB3 ALA 1 2.460 -0.768 -10.662
8 H CYS 2 HN CYS 2 0.400 1.972 -10.559
9 HA CYS 2 HA CYS 2 1.185 3.168 -7.980
10 1HB CYS 2 HB2 CYS 2 -0.404 4.319 -9.475
11 2HB CYS 2 HB1 CYS 2 -1.542 2.991 -9.321
12 H GLY 3 HN GLY 3 0.819 2.272 -6.109
13 1HA GLY 3 HA2 GLY 3 0.528 -0.497 -5.840
14 2HA GLY 3 HA1 GLY 3 0.514 0.660 -4.544
15 H ILE 4 HN ILE 4 -1.178 -1.719 -5.622
16 HA ILE 4 HA ILE 4 -3.860 -0.511 -5.248
17 HB ILE 4 HB ILE 4 -4.718 -2.423 -6.636
18 1HG1 ILE 4 HG12 ILE 4 -1.799 -2.813 -7.346
19 2HG1 ILE 4 HG11 ILE 4 -2.704 -3.930 -6.321
20 1HG2 ILE 4 HG21 ILE 4 -4.402 -0.170 -7.534
21 2HG2 ILE 4 HG22 ILE 4 -4.215 -1.435 -8.733
22 3HG2 ILE 4 HG23 ILE 4 -2.787 -0.626 -8.086
23 1HD1 ILE 4 HD11 ILE 4 -3.196 -3.317 -9.224
24 2HD1 ILE 4 HD12 ILE 4 -4.233 -4.344 -8.221
25 3HD1 ILE 4 HD13 ILE 4 -2.556 -4.792 -8.509
26 H LEU 5 HN LEU 5 -5.436 -2.276 -4.842
27 HA LEU 5 HA LEU 5 -5.343 -2.761 -2.176
28 1HB LEU 5 HB2 LEU 5 -7.404 -3.965 -2.418
29 2HB LEU 5 HB1 LEU 5 -7.365 -2.618 -3.537
30 HG LEU 5 HG LEU 5 -6.716 -5.438 -4.420
31 1HD1 LEU 5 HD11 LEU 5 -8.970 -5.421 -3.508
32 2HD1 LEU 5 HD12 LEU 5 -8.939 -5.627 -5.255
33 3HD1 LEU 5 HD13 LEU 5 -9.379 -4.062 -4.572
34 1HD2 LEU 5 HD21 LEU 5 -7.462 -4.423 -6.627
35 2HD2 LEU 5 HD22 LEU 5 -5.896 -3.946 -6.017
36 3HD2 LEU 5 HD23 LEU 5 -7.275 -2.844 -5.860
37 H HIS 6 HN HIS 6 -3.928 -4.761 -4.584
38 HA HIS 6 HA HIS 6 -2.985 -6.553 -2.454
39 1HB HIS 6 HB2 HIS 6 -3.519 -8.572 -3.738
40 2HB HIS 6 HB1 HIS 6 -4.976 -7.666 -3.369
41 HD1 HIS 6 HD1 HIS 6 -2.716 -8.518 -6.270
42 HD2 HIS 6 HD2 HIS 6 -6.479 -6.960 -5.535
43 HE1 HIS 6 HE1 HIS 6 -3.818 -8.310 -8.511
44 HE2 HIS 6 HE2 HIS 6 -6.033 -7.204 -8.054
45 H ASP 7 HN ASP 7 -1.647 -4.543 -3.468
46 HA ASP 7 HA ASP 7 0.262 -5.797 -5.378
47 1HB ASP 7 HB2 ASP 7 -0.431 -3.620 -6.053
48 2HB ASP 7 HB1 ASP 7 -0.056 -2.904 -4.498
49 H ASN 8 HN ASN 8 1.861 -6.779 -4.574
50 HA ASN 8 HA ASN 8 2.648 -6.742 -1.869
51 1HB ASN 8 HB2 ASN 8 4.135 -7.616 -4.355
52 2HB ASN 8 HB1 ASN 8 4.772 -7.855 -2.721
53 1HD2 ASN 8 HD21 ASN 8 3.751 -9.356 -1.337
54 2HD2 ASN 8 HD22 ASN 8 2.668 -10.536 -1.983
55 H CYS 9 HN CYS 9 3.584 -5.236 -0.796
56 HA CYS 9 HA CYS 9 5.038 -3.089 -2.172
57 1HB CYS 9 HB2 CYS 9 2.700 -2.441 -2.107
58 2HB CYS 9 HB1 CYS 9 2.607 -2.745 -0.383
59 H VAL 10 HN VAL 10 6.410 -1.958 -1.017
60 HA VAL 10 HA VAL 10 7.181 -3.041 1.637
61 HB VAL 10 HB VAL 10 8.661 -1.119 -0.201
62 1HG1 VAL 10 HG11 VAL 10 9.385 -0.670 2.022
63 2HG1 VAL 10 HG12 VAL 10 10.581 -1.743 1.329
64 3HG1 VAL 10 HG13 VAL 10 9.392 -2.385 2.457
65 1HG2 VAL 10 HG21 VAL 10 8.496 -3.374 -1.156
66 2HG2 VAL 10 HG22 VAL 10 9.160 -4.057 0.340
67 3HG2 VAL 10 HG23 VAL 10 10.136 -2.978 -0.654
68 H TYR 11 HN TYR 11 7.034 -1.918 3.406
69 HA TYR 11 HA TYR 11 5.075 0.175 3.504
70 1HB TYR 11 HB2 TYR 11 5.369 -1.508 5.223
71 2HB TYR 11 HB1 TYR 11 6.905 -0.855 5.722
72 HD1 TYR 11 HD1 TYR 11 6.916 0.973 7.266
73 HD2 TYR 11 HD2 TYR 11 3.254 -0.182 5.430
74 HE1 TYR 11 HE1 TYR 11 5.678 2.445 8.784
75 HE2 TYR 11 HE2 TYR 11 2.015 1.299 6.924
76 HH TYR 11 HH TYR 11 2.622 2.249 9.468
77 H VAL 12 HN VAL 12 5.934 1.754 2.206
78 HA VAL 12 HA VAL 12 7.804 3.555 3.662
79 HB VAL 12 HB VAL 12 8.660 4.367 1.447
80 1HG1 VAL 12 HG11 VAL 12 9.985 2.913 2.911
81 2HG1 VAL 12 HG12 VAL 12 10.294 2.624 1.203
82 3HG1 VAL 12 HG13 VAL 12 9.299 1.490 2.110
83 1HG2 VAL 12 HG21 VAL 12 7.628 3.663 -0.379
84 2HG2 VAL 12 HG22 VAL 12 6.785 2.358 0.427
85 3HG2 VAL 12 HG23 VAL 12 8.421 2.115 -0.163
86 HA PRO 13 HA PRO 13 3.739 5.556 3.244
87 1HB PRO 13 HB2 PRO 13 5.033 7.196 5.388
88 2HB PRO 13 HB1 PRO 13 3.441 6.428 5.323
89 1HG PRO 13 HG2 PRO 13 5.397 5.426 6.813
90 2HG PRO 13 HG1 PRO 13 4.274 4.351 5.954
91 1HD PRO 13 HD2 PRO 13 7.098 5.119 5.263
92 2HD PRO 13 HD1 PRO 13 6.257 3.554 5.178
93 H ALA 14 HN ALA 14 6.853 7.204 3.719
94 HA ALA 14 HA ALA 14 6.039 9.759 2.861
95 1HB ALA 14 HB1 ALA 14 8.084 9.342 4.115
96 2HB ALA 14 HB2 ALA 14 8.417 10.269 2.657
97 3HB ALA 14 HB3 ALA 14 8.814 8.540 2.728
98 H GLN 15 HN GLN 15 7.477 7.044 1.168
99 HA GLN 15 HA GLN 15 6.868 8.372 -1.448
100 1HB GLN 15 HB2 GLN 15 8.827 6.137 -0.802
101 2HB GLN 15 HB1 GLN 15 8.536 6.849 -2.406
102 1HG GLN 15 HG2 GLN 15 9.386 9.003 -1.610
103 2HG GLN 15 HG1 GLN 15 9.660 8.314 -0.002
104 1HE2 GLN 15 HE21 GLN 15 11.561 9.526 -1.869
105 2HE2 GLN 15 HE22 GLN 15 12.742 8.297 -2.152
106 H ASN 16 HN ASN 16 4.837 7.352 -0.015
107 HA ASN 16 HA ASN 16 4.178 4.680 -0.349
108 1HB ASN 16 HB2 ASN 16 2.904 6.133 1.090
109 2HB ASN 16 HB1 ASN 16 2.337 7.096 -0.268
110 1HD2 ASN 16 HD21 ASN 16 0.162 6.678 0.124
111 2HD2 ASN 16 HD22 ASN 16 -0.520 5.105 -0.084
112 HA PRO 17 HA PRO 17 3.861 4.766 -4.827
113 1HB PRO 17 HB2 PRO 17 3.889 2.098 -5.151
114 2HB PRO 17 HB1 PRO 17 5.319 2.988 -4.622
115 1HG PRO 17 HG2 PRO 17 3.358 1.449 -2.940
116 2HG PRO 17 HG1 PRO 17 5.132 1.409 -2.929
117 1HD PRO 17 HD2 PRO 17 3.664 2.849 -1.181
118 2HD PRO 17 HD1 PRO 17 5.312 3.306 -1.682
119 H CYS 18 HN CYS 18 1.721 3.621 -2.452
120 HA CYS 18 HA CYS 18 -0.232 2.472 -4.145
121 1HB CYS 18 HB2 CYS 18 -0.317 3.244 -1.238
122 2HB CYS 18 HB1 CYS 18 -1.561 2.390 -2.076
123 H CYS 19 HN CYS 19 -2.198 3.108 -4.596
124 HA CYS 19 HA CYS 19 -2.528 5.877 -5.305
125 1HB CYS 19 HB2 CYS 19 -4.622 3.670 -5.198
126 2HB CYS 19 HB1 CYS 19 -4.707 5.175 -6.121
127 H ARG 20 HN ARG 20 -4.329 7.152 -4.703
128 HA ARG 20 HA ARG 20 -4.263 7.740 -1.946
129 1HB ARG 20 HB2 ARG 20 -5.928 9.423 -2.387
130 2HB ARG 20 HB1 ARG 20 -4.751 9.371 -3.704
131 1HG ARG 20 HG2 ARG 20 -6.333 8.092 -5.091
132 2HG ARG 20 HG1 ARG 20 -7.534 8.166 -3.798
133 1HD ARG 20 HD2 ARG 20 -7.515 10.598 -3.905
134 2HD ARG 20 HD1 ARG 20 -6.377 10.512 -5.251
135 HE ARG 20 HE ARG 20 -9.144 9.397 -5.263
136 1HH1 ARG 20 HH11 ARG 20 -6.466 10.975 -6.925
137 2HH1 ARG 20 HH12 ARG 20 -7.345 11.137 -8.384
138 1HH2 ARG 20 HH21 ARG 20 -10.262 9.610 -7.230
139 2HH2 ARG 20 HH22 ARG 20 -9.492 10.371 -8.582
140 H GLY 21 HN GLY 21 -5.155 6.809 -0.335
141 1HA GLY 21 HA2 GLY 21 -7.008 6.074 0.884
142 2HA GLY 21 HA1 GLY 21 -7.850 5.593 -0.577
143 H LEU 22 HN LEU 22 -4.778 4.574 -1.042
144 HA LEU 22 HA LEU 22 -5.309 1.907 0.108
145 1HB LEU 22 HB2 LEU 22 -3.496 2.838 -2.130
146 2HB LEU 22 HB1 LEU 22 -3.400 1.250 -1.432
147 HG LEU 22 HG LEU 22 -4.611 1.174 -3.499
148 1HD1 LEU 22 HD11 LEU 22 -5.258 -0.334 -1.578
149 2HD1 LEU 22 HD12 LEU 22 -6.491 -0.055 -2.800
150 3HD1 LEU 22 HD13 LEU 22 -6.599 0.781 -1.260
151 1HD2 LEU 22 HD21 LEU 22 -5.506 3.583 -3.245
152 2HD2 LEU 22 HD22 LEU 22 -6.804 2.851 -2.325
153 3HD2 LEU 22 HD23 LEU 22 -6.523 2.374 -3.986
154 H GLN 23 HN GLN 23 -4.114 1.060 1.538
155 HA GLN 23 HA GLN 23 -1.908 2.681 2.678
156 1HB GLN 23 HB2 GLN 23 -3.793 2.449 4.128
157 2HB GLN 23 HB1 GLN 23 -3.833 0.726 4.014
158 1HG GLN 23 HG2 GLN 23 -2.912 1.498 6.115
159 2HG GLN 23 HG1 GLN 23 -1.677 0.640 5.212
160 1HE2 GLN 23 HE21 GLN 23 0.137 1.801 4.489
161 2HE2 GLN 23 HE22 GLN 23 0.436 3.416 4.976
162 H CYS 24 HN CYS 24 -0.092 1.948 2.034
163 HA CYS 24 HA CYS 24 0.399 -0.801 1.378
164 1HB CYS 24 HB2 CYS 24 1.645 0.863 0.216
165 2HB CYS 24 HB1 CYS 24 2.245 1.555 1.684
166 H ARG 25 HN ARG 25 0.909 -2.340 2.627
167 HA ARG 25 HA ARG 25 2.075 -1.788 5.303
168 1HB ARG 25 HB2 ARG 25 -0.251 -2.890 5.162
169 2HB ARG 25 HB1 ARG 25 0.534 -4.278 4.442
170 1HG ARG 25 HG2 ARG 25 0.271 -4.759 6.725
171 2HG ARG 25 HG1 ARG 25 1.990 -4.447 6.517
172 1HD ARG 25 HD2 ARG 25 1.099 -3.403 8.525
173 2HD ARG 25 HD1 ARG 25 1.698 -2.187 7.398
174 HE ARG 25 HE ARG 25 -1.180 -2.827 7.303
175 1HH1 ARG 25 HH11 ARG 25 1.295 -0.678 8.598
176 2HH1 ARG 25 HH12 ARG 25 0.185 0.608 8.832
177 1HH2 ARG 25 HH21 ARG 25 -2.609 -1.105 7.622
178 2HH2 ARG 25 HH22 ARG 25 -2.033 0.383 8.295
179 H TYR 26 HN TYR 26 3.836 -2.912 5.856
180 HA TYR 26 HA TYR 26 5.674 -3.574 3.877
181 1HB TYR 26 HB2 TYR 26 7.039 -4.638 5.672
182 2HB TYR 26 HB1 TYR 26 6.485 -3.047 6.060
183 HD1 TYR 26 HD1 TYR 26 4.443 -2.773 7.620
184 HD2 TYR 26 HD2 TYR 26 6.601 -6.440 7.145
185 HE1 TYR 26 HE1 TYR 26 3.548 -3.578 9.739
186 HE2 TYR 26 HE2 TYR 26 5.700 -7.231 9.275
187 HH TYR 26 HH TYR 26 4.754 -5.880 11.506
188 H GLY 27 HN GLY 27 5.133 -4.899 2.393
189 1HA GLY 27 HA2 GLY 27 5.388 -7.353 1.946
190 2HA GLY 27 HA1 GLY 27 4.049 -7.593 3.061
191 H LYS 28 HN LYS 28 2.306 -5.653 2.450
192 HA LYS 28 HA LYS 28 1.735 -5.733 -0.424
193 1HB LYS 28 HB2 LYS 28 -0.370 -6.848 -0.224
194 2HB LYS 28 HB1 LYS 28 0.892 -7.861 0.482
195 1HG LYS 28 HG2 LYS 28 0.232 -7.232 2.740
196 2HG LYS 28 HG1 LYS 28 -0.946 -6.083 2.120
197 1HD LYS 28 HD2 LYS 28 -2.102 -8.027 2.790
198 2HD LYS 28 HD1 LYS 28 -2.197 -7.913 1.034
199 1HE LYS 28 HE2 LYS 28 -1.770 -10.188 1.810
200 2HE LYS 28 HE1 LYS 28 -0.428 -9.620 0.829
201 1HZ LYS 28 HZ1 LYS 28 0.919 -9.389 2.718
202 2HZ LYS 28 HZ2 LYS 28 0.070 -10.818 2.989
203 3HZ LYS 28 HZ3 LYS 28 -0.389 -9.416 3.806
204 H CYS 29 HN CYS 29 0.138 -4.428 -1.082
205 HA CYS 29 HA CYS 29 -0.481 -2.194 0.717
206 1HB CYS 29 HB2 CYS 29 0.537 -1.776 -1.514
207 2HB CYS 29 HB1 CYS 29 -0.889 -2.408 -2.275
208 H LEU 30 HN LEU 30 -2.395 -1.865 1.476
209 HA LEU 30 HA LEU 30 -4.654 -3.551 0.497
210 1HB LEU 30 HB2 LEU 30 -3.849 -2.872 3.345
211 2HB LEU 30 HB1 LEU 30 -5.381 -3.631 2.909
212 HG LEU 30 HG LEU 30 -2.640 -4.844 2.464
213 1HD1 LEU 30 HD11 LEU 30 -3.245 -4.707 4.842
214 2HD1 LEU 30 HD12 LEU 30 -3.252 -6.360 4.242
215 3HD1 LEU 30 HD13 LEU 30 -4.781 -5.522 4.494
216 1HD2 LEU 30 HD21 LEU 30 -4.025 -5.742 0.790
217 2HD2 LEU 30 HD22 LEU 30 -5.446 -5.787 1.843
218 3HD2 LEU 30 HD23 LEU 30 -4.121 -6.906 2.100
219 H VAL 31 HN VAL 31 -6.705 -2.818 1.389
220 HA VAL 31 HA VAL 31 -7.116 -0.064 0.621
221 HB VAL 31 HB VAL 31 -9.109 -2.046 1.787
222 1HG1 VAL 31 HG11 VAL 31 -9.419 0.650 0.430
223 2HG1 VAL 31 HG12 VAL 31 -10.016 0.144 2.021
224 3HG1 VAL 31 HG13 VAL 31 -10.721 -0.527 0.565
225 1HG2 VAL 31 HG21 VAL 31 -8.114 -2.899 -0.289
226 2HG2 VAL 31 HG22 VAL 31 -8.527 -1.385 -1.112
227 3HG2 VAL 31 HG23 VAL 31 -9.799 -2.438 -0.499
228 H GLN 32 HN GLN 32 -6.679 1.491 1.878
229 HA GLN 32 HA GLN 32 -6.141 1.299 4.634
230 1HB GLN 32 HB2 GLN 32 -5.407 3.094 2.982
231 2HB GLN 32 HB1 GLN 32 -6.984 3.835 3.185
232 1HG GLN 32 HG2 GLN 32 -6.560 4.059 5.611
233 2HG GLN 32 HG1 GLN 32 -4.953 3.389 5.401
234 1HE2 GLN 32 HE21 GLN 32 -5.656 5.961 6.453
235 2HE2 GLN 32 HE22 GLN 32 -4.975 7.126 5.416
236 H VAL 33 HN VAL 33 -7.362 1.138 6.253
237 HA VAL 33 HA VAL 33 -10.296 1.398 5.988
238 HB VAL 33 HB VAL 33 -8.600 0.183 8.207
239 1HG1 VAL 33 HG11 VAL 33 -10.678 0.807 9.177
240 2HG1 VAL 33 HG12 VAL 33 -10.809 -0.897 8.793
241 3HG1 VAL 33 HG13 VAL 33 -11.594 0.288 7.754
242 1HG2 VAL 33 HG21 VAL 33 -9.333 -1.961 7.312
243 2HG2 VAL 33 HG22 VAL 33 -8.369 -1.078 6.140
244 3HG2 VAL 33 HG23 VAL 33 -10.130 -1.156 5.961
245 1HG HSL 34 HG1 HSL 34 -5.793 4.628 11.179
246 2HG HSL 34 HG2 HSL 34 -7.271 5.587 11.405
247 H HSL 34 HN HSL 34 -7.506 2.597 7.666
248 HA HSL 34 HA HSL 34 -8.943 4.567 8.792
249 1HB HSL 34 HB1 HSL 34 -8.383 3.730 10.823
250 2HB HSL 34 HB2 HSL 34 -6.918 2.952 10.212
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 2.455 3.862 -12.640
2 2H ALA 1 HT2 ALA 1 0.995 4.696 -12.364
3 3H ALA 1 HT3 ALA 1 1.204 3.803 -13.779
4 HA ALA 1 HA ALA 1 -0.223 2.611 -12.307
5 1HB ALA 1 HB1 ALA 1 2.504 1.320 -12.570
6 2HB ALA 1 HB2 ALA 1 1.237 1.367 -13.791
7 3HB ALA 1 HB3 ALA 1 0.969 0.472 -12.299
8 H CYS 2 HN CYS 2 -0.888 2.918 -10.379
9 HA CYS 2 HA CYS 2 0.990 3.343 -8.147
10 1HB CYS 2 HB2 CYS 2 -0.909 4.120 -6.926
11 2HB CYS 2 HB1 CYS 2 -1.011 4.812 -8.528
12 H GLY 3 HN GLY 3 0.927 2.133 -6.302
13 1HA GLY 3 HA2 GLY 3 0.477 -0.592 -6.360
14 2HA GLY 3 HA1 GLY 3 0.608 0.379 -4.916
15 H ILE 4 HN ILE 4 -1.194 -1.839 -5.808
16 HA ILE 4 HA ILE 4 -3.836 -0.563 -5.453
17 HB ILE 4 HB ILE 4 -4.755 -2.577 -6.644
18 1HG1 ILE 4 HG12 ILE 4 -1.862 -3.006 -7.419
19 2HG1 ILE 4 HG11 ILE 4 -2.735 -4.054 -6.290
20 1HG2 ILE 4 HG21 ILE 4 -2.876 -0.859 -8.266
21 2HG2 ILE 4 HG22 ILE 4 -4.496 -0.401 -7.718
22 3HG2 ILE 4 HG23 ILE 4 -4.303 -1.740 -8.835
23 1HD1 ILE 4 HD11 ILE 4 -4.308 -4.593 -8.122
24 2HD1 ILE 4 HD12 ILE 4 -2.638 -5.067 -8.411
25 3HD1 ILE 4 HD13 ILE 4 -3.288 -3.644 -9.215
26 H LEU 5 HN LEU 5 -5.449 -2.123 -4.788
27 HA LEU 5 HA LEU 5 -5.177 -2.587 -2.107
28 1HB LEU 5 HB2 LEU 5 -7.343 -3.599 -2.175
29 2HB LEU 5 HB1 LEU 5 -7.292 -2.256 -3.297
30 HG LEU 5 HG LEU 5 -6.955 -5.118 -4.214
31 1HD1 LEU 5 HD11 LEU 5 -9.093 -4.940 -3.074
32 2HD1 LEU 5 HD12 LEU 5 -9.257 -5.146 -4.814
33 3HD1 LEU 5 HD13 LEU 5 -9.511 -3.554 -4.099
34 1HD2 LEU 5 HD21 LEU 5 -7.855 -4.031 -6.340
35 2HD2 LEU 5 HD22 LEU 5 -6.198 -3.698 -5.901
36 3HD2 LEU 5 HD23 LEU 5 -7.447 -2.481 -5.601
37 H HIS 6 HN HIS 6 -4.064 -4.630 -4.585
38 HA HIS 6 HA HIS 6 -3.184 -6.531 -2.531
39 1HB HIS 6 HB2 HIS 6 -3.826 -8.459 -3.963
40 2HB HIS 6 HB1 HIS 6 -5.207 -7.545 -3.386
41 HD1 HIS 6 HD1 HIS 6 -3.250 -8.189 -6.559
42 HD2 HIS 6 HD2 HIS 6 -6.892 -6.650 -5.335
43 HE1 HIS 6 HE1 HIS 6 -4.563 -7.786 -8.656
44 HE2 HIS 6 HE2 HIS 6 -6.684 -6.665 -7.900
45 H ASP 7 HN ASP 7 -1.718 -4.586 -3.447
46 HA ASP 7 HA ASP 7 0.151 -5.982 -5.316
47 1HB ASP 7 HB2 ASP 7 -0.627 -3.853 -6.175
48 2HB ASP 7 HB1 ASP 7 -0.090 -2.993 -4.754
49 H ASN 8 HN ASN 8 2.072 -6.456 -4.657
50 HA ASN 8 HA ASN 8 2.650 -6.273 -1.832
51 1HB ASN 8 HB2 ASN 8 4.252 -7.387 -4.157
52 2HB ASN 8 HB1 ASN 8 4.777 -7.485 -2.470
53 1HD2 ASN 8 HD21 ASN 8 4.227 -9.640 -4.348
54 2HD2 ASN 8 HD22 ASN 8 2.977 -10.572 -3.604
55 H CYS 9 HN CYS 9 3.912 -4.949 -0.812
56 HA CYS 9 HA CYS 9 5.914 -3.297 -2.082
57 1HB CYS 9 HB2 CYS 9 4.834 -1.149 -1.627
58 2HB CYS 9 HB1 CYS 9 3.833 -2.103 -2.698
59 H VAL 10 HN VAL 10 6.961 -1.897 -0.628
60 HA VAL 10 HA VAL 10 7.083 -3.020 2.111
61 HB VAL 10 HB VAL 10 9.151 -1.674 2.356
62 1HG1 VAL 10 HG11 VAL 10 9.267 -3.993 1.581
63 2HG1 VAL 10 HG12 VAL 10 10.535 -2.990 0.887
64 3HG1 VAL 10 HG13 VAL 10 9.145 -3.439 -0.099
65 1HG2 VAL 10 HG21 VAL 10 8.714 0.189 0.850
66 2HG2 VAL 10 HG22 VAL 10 8.659 -0.900 -0.541
67 3HG2 VAL 10 HG23 VAL 10 10.155 -0.666 0.343
68 H TYR 11 HN TYR 11 7.065 -1.745 3.878
69 HA TYR 11 HA TYR 11 4.849 0.058 3.892
70 1HB TYR 11 HB2 TYR 11 5.070 0.081 6.278
71 2HB TYR 11 HB1 TYR 11 5.365 -1.519 5.722
72 HD1 TYR 11 HD1 TYR 11 8.044 -1.990 5.197
73 HD2 TYR 11 HD2 TYR 11 6.453 0.830 7.978
74 HE1 TYR 11 HE1 TYR 11 10.154 -2.009 6.404
75 HE2 TYR 11 HE2 TYR 11 8.575 0.811 9.187
76 HH TYR 11 HH TYR 11 11.355 -0.131 8.056
77 H VAL 12 HN VAL 12 5.719 1.588 2.390
78 HA VAL 12 HA VAL 12 7.252 3.712 3.814
79 HB VAL 12 HB VAL 12 8.265 4.363 1.622
80 1HG1 VAL 12 HG11 VAL 12 9.005 1.593 2.589
81 2HG1 VAL 12 HG12 VAL 12 9.543 3.121 3.308
82 3HG1 VAL 12 HG13 VAL 12 10.013 2.705 1.665
83 1HG2 VAL 12 HG21 VAL 12 6.796 3.265 0.029
84 2HG2 VAL 12 HG22 VAL 12 7.169 1.692 0.714
85 3HG2 VAL 12 HG23 VAL 12 8.407 2.599 -0.121
86 HA PRO 13 HA PRO 13 3.018 5.110 2.483
87 1HB PRO 13 HB2 PRO 13 3.303 6.433 5.150
88 2HB PRO 13 HB1 PRO 13 1.949 5.542 4.442
89 1HG PRO 13 HG2 PRO 13 3.453 4.486 6.362
90 2HG PRO 13 HG1 PRO 13 2.819 3.478 5.045
91 1HD PRO 13 HD2 PRO 13 5.587 4.591 5.442
92 2HD PRO 13 HD1 PRO 13 5.017 3.018 4.879
93 H ALA 14 HN ALA 14 5.772 6.632 4.030
94 HA ALA 14 HA ALA 14 5.403 9.296 3.528
95 1HB ALA 14 HB1 ALA 14 7.844 9.499 3.546
96 2HB ALA 14 HB2 ALA 14 8.001 7.749 3.288
97 3HB ALA 14 HB3 ALA 14 7.276 8.366 4.768
98 H GLN 15 HN GLN 15 6.655 6.807 1.406
99 HA GLN 15 HA GLN 15 6.176 8.580 -0.956
100 1HB GLN 15 HB2 GLN 15 8.219 6.337 -0.686
101 2HB GLN 15 HB1 GLN 15 8.022 7.408 -2.071
102 1HG GLN 15 HG2 GLN 15 9.001 8.133 0.702
103 2HG GLN 15 HG1 GLN 15 9.952 8.006 -0.774
104 1HE2 GLN 15 HE21 GLN 15 7.929 9.342 -2.481
105 2HE2 GLN 15 HE22 GLN 15 7.996 10.981 -1.999
106 H ASN 16 HN ASN 16 4.129 7.403 0.050
107 HA ASN 16 HA ASN 16 3.598 4.736 -0.354
108 1HB ASN 16 HB2 ASN 16 2.158 6.392 0.825
109 2HB ASN 16 HB1 ASN 16 1.582 6.991 -0.711
110 1HD2 ASN 16 HD21 ASN 16 0.063 5.823 1.466
111 2HD2 ASN 16 HD22 ASN 16 -0.684 4.410 0.811
112 HA PRO 17 HA PRO 17 3.861 4.708 -4.846
113 1HB PRO 17 HB2 PRO 17 3.943 2.019 -5.091
114 2HB PRO 17 HB1 PRO 17 5.302 2.956 -4.469
115 1HG PRO 17 HG2 PRO 17 3.244 1.407 -2.929
116 2HG PRO 17 HG1 PRO 17 5.007 1.454 -2.733
117 1HD PRO 17 HD2 PRO 17 3.290 2.874 -1.199
118 2HD PRO 17 HD1 PRO 17 4.966 3.392 -1.530
119 H CYS 18 HN CYS 18 1.497 3.404 -2.730
120 HA CYS 18 HA CYS 18 -0.273 2.410 -4.714
121 1HB CYS 18 HB2 CYS 18 -0.752 2.906 -1.783
122 2HB CYS 18 HB1 CYS 18 -1.778 1.991 -2.874
123 H CYS 19 HN CYS 19 -2.398 3.083 -5.034
124 HA CYS 19 HA CYS 19 -2.647 5.912 -5.422
125 1HB CYS 19 HB2 CYS 19 -4.474 3.558 -5.688
126 2HB CYS 19 HB1 CYS 19 -5.204 5.162 -5.650
127 H ARG 20 HN ARG 20 -3.809 7.368 -4.403
128 HA ARG 20 HA ARG 20 -3.606 7.318 -1.571
129 1HB ARG 20 HB2 ARG 20 -5.112 9.217 -3.413
130 2HB ARG 20 HB1 ARG 20 -4.849 9.526 -1.693
131 1HG ARG 20 HG2 ARG 20 -2.728 9.276 -3.845
132 2HG ARG 20 HG1 ARG 20 -3.288 10.750 -3.054
133 1HD ARG 20 HD2 ARG 20 -2.436 10.042 -0.933
134 2HD ARG 20 HD1 ARG 20 -1.998 8.444 -1.562
135 HE ARG 20 HE ARG 20 -0.632 10.281 -3.125
136 1HH1 ARG 20 HH11 ARG 20 -0.735 9.342 0.272
137 2HH1 ARG 20 HH12 ARG 20 0.926 9.708 0.518
138 1HH2 ARG 20 HH21 ARG 20 1.541 10.748 -2.756
139 2HH2 ARG 20 HH22 ARG 20 2.228 10.506 -1.184
140 H GLY 21 HN GLY 21 -4.726 6.438 -0.173
141 1HA GLY 21 HA2 GLY 21 -6.958 6.177 0.791
142 2HA GLY 21 HA1 GLY 21 -7.556 5.680 -0.786
143 H LEU 22 HN LEU 22 -4.629 4.421 -0.857
144 HA LEU 22 HA LEU 22 -5.448 1.873 0.422
145 1HB LEU 22 HB2 LEU 22 -3.462 2.402 -1.783
146 2HB LEU 22 HB1 LEU 22 -3.870 0.816 -1.135
147 HG LEU 22 HG LEU 22 -5.765 2.659 -2.620
148 1HD1 LEU 22 HD11 LEU 22 -4.249 0.215 -3.469
149 2HD1 LEU 22 HD12 LEU 22 -4.171 1.829 -4.167
150 3HD1 LEU 22 HD13 LEU 22 -5.626 0.856 -4.350
151 1HD2 LEU 22 HD21 LEU 22 -7.035 1.327 -1.076
152 2HD2 LEU 22 HD22 LEU 22 -6.119 -0.133 -1.486
153 3HD2 LEU 22 HD23 LEU 22 -7.190 0.608 -2.670
154 H GLN 23 HN GLN 23 -4.216 0.876 1.767
155 HA GLN 23 HA GLN 23 -1.995 2.418 2.979
156 1HB GLN 23 HB2 GLN 23 -3.822 2.017 4.445
157 2HB GLN 23 HB1 GLN 23 -3.870 0.298 4.084
158 1HG GLN 23 HG2 GLN 23 -1.630 0.099 5.166
159 2HG GLN 23 HG1 GLN 23 -1.669 1.818 5.524
160 1HE2 GLN 23 HE21 GLN 23 -1.487 1.374 7.744
161 2HE2 GLN 23 HE22 GLN 23 -2.841 0.763 8.626
162 H CYS 24 HN CYS 24 -0.257 1.839 1.959
163 HA CYS 24 HA CYS 24 0.374 -0.877 1.248
164 1HB CYS 24 HB2 CYS 24 1.261 0.824 -0.118
165 2HB CYS 24 HB1 CYS 24 1.970 1.661 1.225
166 H ARG 25 HN ARG 25 0.552 -2.253 2.786
167 HA ARG 25 HA ARG 25 2.154 -1.567 5.206
168 1HB ARG 25 HB2 ARG 25 0.333 -3.937 4.617
169 2HB ARG 25 HB1 ARG 25 1.193 -3.629 6.139
170 1HG ARG 25 HG2 ARG 25 -0.119 -1.566 6.452
171 2HG ARG 25 HG1 ARG 25 -0.973 -1.891 4.934
172 1HD ARG 25 HD2 ARG 25 -2.304 -2.568 6.805
173 2HD ARG 25 HD1 ARG 25 -1.825 -3.987 5.866
174 HE ARG 25 HE ARG 25 0.055 -3.589 7.959
175 1HH1 ARG 25 HH11 ARG 25 -3.321 -4.483 7.570
176 2HH1 ARG 25 HH12 ARG 25 -3.312 -5.483 8.969
177 1HH2 ARG 25 HH21 ARG 25 0.042 -4.915 9.775
178 2HH2 ARG 25 HH22 ARG 25 -1.413 -5.737 10.233
179 H TYR 26 HN TYR 26 3.757 -2.878 5.870
180 HA TYR 26 HA TYR 26 5.671 -3.523 3.969
181 1HB TYR 26 HB2 TYR 26 6.318 -3.227 6.251
182 2HB TYR 26 HB1 TYR 26 5.341 -4.561 6.796
183 HD1 TYR 26 HD1 TYR 26 8.206 -3.772 4.499
184 HD2 TYR 26 HD2 TYR 26 6.398 -6.632 7.114
185 HE1 TYR 26 HE1 TYR 26 10.150 -5.225 4.259
186 HE2 TYR 26 HE2 TYR 26 8.283 -8.146 6.745
187 HH TYR 26 HH TYR 26 11.130 -7.218 5.955
188 H GLY 27 HN GLY 27 5.220 -4.749 2.363
189 1HA GLY 27 HA2 GLY 27 5.497 -7.027 1.626
190 2HA GLY 27 HA1 GLY 27 4.342 -7.552 2.838
191 H LYS 28 HN LYS 28 2.359 -5.657 2.555
192 HA LYS 28 HA LYS 28 1.419 -6.011 -0.219
193 1HB LYS 28 HB2 LYS 28 0.853 -8.047 1.000
194 2HB LYS 28 HB1 LYS 28 0.038 -7.110 2.257
195 1HG LYS 28 HG2 LYS 28 -1.572 -6.298 0.493
196 2HG LYS 28 HG1 LYS 28 -0.757 -7.388 -0.657
197 1HD LYS 28 HD2 LYS 28 -1.375 -9.312 0.691
198 2HD LYS 28 HD1 LYS 28 -2.072 -8.261 1.939
199 1HE LYS 28 HE2 LYS 28 -3.696 -7.448 0.229
200 2HE LYS 28 HE1 LYS 28 -3.034 -8.623 -0.894
201 1HZ LYS 28 HZ1 LYS 28 -4.317 -9.275 1.711
202 2HZ LYS 28 HZ2 LYS 28 -3.691 -10.397 0.593
203 3HZ LYS 28 HZ3 LYS 28 -5.007 -9.427 0.176
204 H CYS 29 HN CYS 29 0.238 -4.493 -0.895
205 HA CYS 29 HA CYS 29 -0.530 -2.275 0.821
206 1HB CYS 29 HB2 CYS 29 0.527 -1.944 -1.426
207 2HB CYS 29 HB1 CYS 29 -0.886 -2.585 -2.167
208 H LEU 30 HN LEU 30 -2.380 -2.130 1.706
209 HA LEU 30 HA LEU 30 -4.674 -3.697 0.619
210 1HB LEU 30 HB2 LEU 30 -3.881 -2.976 3.454
211 2HB LEU 30 HB1 LEU 30 -5.483 -3.590 3.046
212 HG LEU 30 HG LEU 30 -2.893 -5.101 2.585
213 1HD1 LEU 30 HD11 LEU 30 -3.447 -4.742 4.988
214 2HD1 LEU 30 HD12 LEU 30 -3.487 -6.415 4.471
215 3HD1 LEU 30 HD13 LEU 30 -4.997 -5.539 4.712
216 1HD2 LEU 30 HD21 LEU 30 -5.814 -5.847 2.272
217 2HD2 LEU 30 HD22 LEU 30 -4.486 -6.996 2.311
218 3HD2 LEU 30 HD23 LEU 30 -4.569 -5.814 1.016
219 H VAL 31 HN VAL 31 -6.752 -2.862 1.419
220 HA VAL 31 HA VAL 31 -6.986 -0.083 0.609
221 HB VAL 31 HB VAL 31 -9.164 -1.941 1.625
222 1HG1 VAL 31 HG11 VAL 31 -9.216 0.694 0.117
223 2HG1 VAL 31 HG12 VAL 31 -9.914 0.338 1.706
224 3HG1 VAL 31 HG13 VAL 31 -10.593 -0.392 0.267
225 1HG2 VAL 31 HG21 VAL 31 -8.062 -2.941 -0.307
226 2HG2 VAL 31 HG22 VAL 31 -8.273 -1.438 -1.223
227 3HG2 VAL 31 HG23 VAL 31 -9.676 -2.367 -0.706
228 H GLN 32 HN GLN 32 -6.723 1.483 1.902
229 HA GLN 32 HA GLN 32 -6.575 1.243 4.759
230 1HB GLN 32 HB2 GLN 32 -5.400 2.925 3.211
231 2HB GLN 32 HB1 GLN 32 -6.896 3.828 3.157
232 1HG GLN 32 HG2 GLN 32 -5.299 3.192 5.657
233 2HG GLN 32 HG1 GLN 32 -5.273 4.709 4.766
234 1HE2 GLN 32 HE21 GLN 32 -7.096 6.101 4.849
235 2HE2 GLN 32 HE22 GLN 32 -8.276 5.906 6.095
236 H VAL 33 HN VAL 33 -8.425 0.429 5.496
237 HA VAL 33 HA VAL 33 -10.966 1.894 4.941
238 HB VAL 33 HB VAL 33 -10.610 -0.861 6.171
239 1HG1 VAL 33 HG11 VAL 33 -13.035 0.773 5.370
240 2HG1 VAL 33 HG12 VAL 33 -12.665 0.047 6.944
241 3HG1 VAL 33 HG13 VAL 33 -13.070 -0.975 5.581
242 1HG2 VAL 33 HG21 VAL 33 -11.531 -1.666 4.025
243 2HG2 VAL 33 HG22 VAL 33 -9.934 -0.987 3.883
244 3HG2 VAL 33 HG23 VAL 33 -11.328 -0.056 3.342
245 1HG HSL 34 HG1 HSL 34 -9.824 6.550 9.071
246 2HG HSL 34 HG2 HSL 34 -9.905 5.581 10.557
247 H HSL 34 HN HSL 34 -11.024 3.502 6.274
248 HA HSL 34 HA HSL 34 -11.131 2.826 9.303
249 1HB HSL 34 HB1 HSL 34 -9.127 3.886 9.313
250 2HB HSL 34 HB2 HSL 34 -9.456 4.743 7.803
Start of MODEL 21
1 1H ALA 1 HT1 ALA 1 0.350 1.622 -13.811
2 2H ALA 1 HT2 ALA 1 1.726 1.955 -12.887
3 3H ALA 1 HT3 ALA 1 0.301 2.862 -12.666
4 HA ALA 1 HA ALA 1 -0.877 0.888 -11.913
5 1HB ALA 1 HB1 ALA 1 0.333 -1.196 -11.476
6 2HB ALA 1 HB2 ALA 1 1.814 -0.484 -12.149
7 3HB ALA 1 HB3 ALA 1 0.406 -0.738 -13.174
8 H CYS 2 HN CYS 2 -1.253 1.994 -10.171
9 HA CYS 2 HA CYS 2 0.849 2.699 -8.251
10 1HB CYS 2 HB2 CYS 2 -0.878 3.823 -7.045
11 2HB CYS 2 HB1 CYS 2 -1.177 4.133 -8.750
12 H GLY 3 HN GLY 3 0.663 2.048 -6.064
13 1HA GLY 3 HA2 GLY 3 0.388 -0.634 -5.535
14 2HA GLY 3 HA1 GLY 3 0.375 0.595 -4.329
15 H ILE 4 HN ILE 4 -1.298 -1.842 -5.487
16 HA ILE 4 HA ILE 4 -3.968 -0.794 -4.815
17 HB ILE 4 HB ILE 4 -4.870 -2.647 -6.243
18 1HG1 ILE 4 HG12 ILE 4 -2.004 -2.864 -7.202
19 2HG1 ILE 4 HG11 ILE 4 -2.782 -4.081 -6.180
20 1HG2 ILE 4 HG21 ILE 4 -4.702 -0.332 -7.032
21 2HG2 ILE 4 HG22 ILE 4 -4.546 -1.511 -8.319
22 3HG2 ILE 4 HG23 ILE 4 -3.110 -0.679 -7.715
23 1HD1 ILE 4 HD11 ILE 4 -3.499 -3.312 -8.995
24 2HD1 ILE 4 HD12 ILE 4 -4.442 -4.425 -7.989
25 3HD1 ILE 4 HD13 ILE 4 -2.777 -4.808 -8.415
26 H LEU 5 HN LEU 5 -5.416 -2.857 -4.419
27 HA LEU 5 HA LEU 5 -4.711 -3.290 -1.723
28 1HB LEU 5 HB2 LEU 5 -6.931 -4.212 -1.450
29 2HB LEU 5 HB1 LEU 5 -6.933 -2.739 -2.378
30 HG LEU 5 HG LEU 5 -6.763 -4.882 -4.279
31 1HD1 LEU 5 HD11 LEU 5 -7.652 -6.325 -2.494
32 2HD1 LEU 5 HD12 LEU 5 -8.783 -6.078 -3.818
33 3HD1 LEU 5 HD13 LEU 5 -9.022 -5.216 -2.300
34 1HD2 LEU 5 HD21 LEU 5 -9.045 -3.021 -3.599
35 2HD2 LEU 5 HD22 LEU 5 -8.809 -3.938 -5.085
36 3HD2 LEU 5 HD23 LEU 5 -7.692 -2.641 -4.680
37 H HIS 6 HN HIS 6 -3.552 -4.947 -4.183
38 HA HIS 6 HA HIS 6 -2.729 -7.052 -2.370
39 1HB HIS 6 HB2 HIS 6 -3.282 -8.871 -3.993
40 2HB HIS 6 HB1 HIS 6 -4.691 -8.093 -3.299
41 HD1 HIS 6 HD1 HIS 6 -2.679 -7.953 -6.544
42 HD2 HIS 6 HD2 HIS 6 -6.533 -7.333 -5.107
43 HE1 HIS 6 HE1 HIS 6 -4.077 -7.464 -8.557
44 HE2 HIS 6 HE2 HIS 6 -6.386 -7.011 -7.666
45 H ASP 7 HN ASP 7 -1.543 -4.787 -3.517
46 HA ASP 7 HA ASP 7 0.331 -5.951 -5.510
47 1HB ASP 7 HB2 ASP 7 -0.639 -3.878 -6.182
48 2HB ASP 7 HB1 ASP 7 -0.192 -3.069 -4.698
49 H ASN 8 HN ASN 8 2.240 -6.477 -4.951
50 HA ASN 8 HA ASN 8 3.162 -6.502 -2.297
51 1HB ASN 8 HB2 ASN 8 5.292 -7.283 -3.156
52 2HB ASN 8 HB1 ASN 8 3.979 -8.040 -4.045
53 1HD2 ASN 8 HD21 ASN 8 3.594 -7.445 -6.218
54 2HD2 ASN 8 HD22 ASN 8 4.817 -6.631 -7.122
55 H CYS 9 HN CYS 9 3.831 -4.973 -1.111
56 HA CYS 9 HA CYS 9 5.122 -2.581 -2.234
57 1HB CYS 9 HB2 CYS 9 2.696 -2.150 -2.135
58 2HB CYS 9 HB1 CYS 9 2.680 -2.505 -0.416
59 H VAL 10 HN VAL 10 6.620 -1.813 -1.086
60 HA VAL 10 HA VAL 10 7.247 -3.002 1.552
61 HB VAL 10 HB VAL 10 9.412 -1.808 1.333
62 1HG1 VAL 10 HG11 VAL 10 9.195 -4.114 0.533
63 2HG1 VAL 10 HG12 VAL 10 10.342 -3.179 -0.419
64 3HG1 VAL 10 HG13 VAL 10 8.740 -3.515 -1.072
65 1HG2 VAL 10 HG21 VAL 10 8.786 0.116 -0.019
66 2HG2 VAL 10 HG22 VAL 10 8.329 -0.930 -1.369
67 3HG2 VAL 10 HG23 VAL 10 10.001 -0.824 -0.858
68 H TYR 11 HN TYR 11 7.450 -1.823 3.301
69 HA TYR 11 HA TYR 11 5.500 0.142 3.739
70 1HB TYR 11 HB2 TYR 11 6.453 0.315 6.036
71 2HB TYR 11 HB1 TYR 11 6.147 -1.328 5.502
72 HD1 TYR 11 HD1 TYR 11 8.593 0.857 6.910
73 HD2 TYR 11 HD2 TYR 11 8.161 -2.689 4.551
74 HE1 TYR 11 HE1 TYR 11 10.885 0.196 7.452
75 HE2 TYR 11 HE2 TYR 11 10.450 -3.320 5.086
76 HH TYR 11 HH TYR 11 12.666 -1.845 5.852
77 H VAL 12 HN VAL 12 5.989 1.623 2.101
78 HA VAL 12 HA VAL 12 7.811 3.754 3.086
79 HB VAL 12 HB VAL 12 8.097 4.467 0.722
80 1HG1 VAL 12 HG11 VAL 12 9.247 1.780 1.410
81 2HG1 VAL 12 HG12 VAL 12 9.874 3.350 1.947
82 3HG1 VAL 12 HG13 VAL 12 9.881 2.934 0.237
83 1HG2 VAL 12 HG21 VAL 12 7.692 3.020 -1.079
84 2HG2 VAL 12 HG22 VAL 12 6.180 3.032 -0.210
85 3HG2 VAL 12 HG23 VAL 12 7.282 1.685 -0.040
86 HA PRO 13 HA PRO 13 3.604 5.460 3.062
87 1HB PRO 13 HB2 PRO 13 4.050 7.109 5.192
88 2HB PRO 13 HB1 PRO 13 3.622 5.406 5.341
89 1HG PRO 13 HG2 PRO 13 6.303 6.690 5.608
90 2HG PRO 13 HG1 PRO 13 5.568 5.386 6.548
91 1HD PRO 13 HD2 PRO 13 7.401 4.999 4.586
92 2HD PRO 13 HD1 PRO 13 6.204 3.772 5.077
93 H ALA 14 HN ALA 14 6.639 7.181 3.661
94 HA ALA 14 HA ALA 14 5.759 9.721 2.707
95 1HB ALA 14 HB1 ALA 14 8.094 10.363 3.004
96 2HB ALA 14 HB2 ALA 14 8.550 8.663 3.238
97 3HB ALA 14 HB3 ALA 14 7.492 9.465 4.393
98 H GLN 15 HN GLN 15 6.618 6.856 1.248
99 HA GLN 15 HA GLN 15 6.915 8.171 -1.370
100 1HB GLN 15 HB2 GLN 15 9.095 7.430 -0.471
101 2HB GLN 15 HB1 GLN 15 8.494 5.805 -0.309
102 1HG GLN 15 HG2 GLN 15 8.173 5.707 -2.792
103 2HG GLN 15 HG1 GLN 15 8.828 7.341 -2.882
104 1HE2 GLN 15 HE21 GLN 15 9.523 3.967 -2.240
105 2HE2 GLN 15 HE22 GLN 15 11.236 4.139 -2.383
106 H ASN 16 HN ASN 16 4.606 7.331 -0.160
107 HA ASN 16 HA ASN 16 3.840 4.681 -0.587
108 1HB ASN 16 HB2 ASN 16 2.585 6.253 0.791
109 2HB ASN 16 HB1 ASN 16 2.091 7.162 -0.629
110 1HD2 ASN 16 HD21 ASN 16 1.599 4.329 1.309
111 2HD2 ASN 16 HD22 ASN 16 0.209 3.766 0.452
112 HA PRO 17 HA PRO 17 3.715 4.852 -5.091
113 1HB PRO 17 HB2 PRO 17 3.887 2.220 -5.471
114 2HB PRO 17 HB1 PRO 17 5.243 3.120 -4.782
115 1HG PRO 17 HG2 PRO 17 3.167 1.491 -3.324
116 2HG PRO 17 HG1 PRO 17 4.934 1.464 -3.174
117 1HD PRO 17 HD2 PRO 17 3.302 2.856 -1.508
118 2HD PRO 17 HD1 PRO 17 4.994 3.293 -1.845
119 H CYS 18 HN CYS 18 1.532 3.771 -2.799
120 HA CYS 18 HA CYS 18 -0.363 2.478 -4.446
121 1HB CYS 18 HB2 CYS 18 -0.551 3.459 -1.624
122 2HB CYS 18 HB1 CYS 18 -1.731 2.456 -2.421
123 H CYS 19 HN CYS 19 -2.461 3.087 -4.822
124 HA CYS 19 HA CYS 19 -2.787 5.882 -5.461
125 1HB CYS 19 HB2 CYS 19 -4.624 3.499 -5.484
126 2HB CYS 19 HB1 CYS 19 -5.283 5.122 -5.704
127 H ARG 20 HN ARG 20 -3.696 7.405 -4.409
128 HA ARG 20 HA ARG 20 -3.418 7.380 -1.591
129 1HB ARG 20 HB2 ARG 20 -4.867 9.385 -3.365
130 2HB ARG 20 HB1 ARG 20 -4.405 9.677 -1.684
131 1HG ARG 20 HG2 ARG 20 -2.612 9.321 -4.083
132 2HG ARG 20 HG1 ARG 20 -2.833 10.749 -3.072
133 1HD ARG 20 HD2 ARG 20 -1.881 9.492 -1.149
134 2HD ARG 20 HD1 ARG 20 -1.557 8.145 -2.239
135 HE ARG 20 HE ARG 20 -0.368 10.846 -2.557
136 1HH1 ARG 20 HH11 ARG 20 -0.049 7.328 -2.620
137 2HH1 ARG 20 HH12 ARG 20 1.589 7.421 -3.043
138 1HH2 ARG 20 HH21 ARG 20 1.835 10.878 -3.054
139 2HH2 ARG 20 HH22 ARG 20 2.706 9.391 -3.237
140 H GLY 21 HN GLY 21 -4.522 6.400 -0.247
141 1HA GLY 21 HA2 GLY 21 -6.823 6.462 0.787
142 2HA GLY 21 HA1 GLY 21 -7.416 5.866 -0.759
143 H LEU 22 HN LEU 22 -4.739 4.385 -0.958
144 HA LEU 22 HA LEU 22 -5.550 2.048 0.681
145 1HB LEU 22 HB2 LEU 22 -3.881 2.267 -1.842
146 2HB LEU 22 HB1 LEU 22 -4.051 0.792 -0.895
147 HG LEU 22 HG LEU 22 -6.538 0.908 -1.325
148 1HD1 LEU 22 HD11 LEU 22 -5.690 3.113 -3.195
149 2HD1 LEU 22 HD12 LEU 22 -6.907 3.167 -1.922
150 3HD1 LEU 22 HD13 LEU 22 -7.186 2.209 -3.345
151 1HD2 LEU 22 HD21 LEU 22 -6.370 -0.037 -3.512
152 2HD2 LEU 22 HD22 LEU 22 -5.012 -0.594 -2.543
153 3HD2 LEU 22 HD23 LEU 22 -4.780 0.681 -3.753
154 H GLN 23 HN GLN 23 -4.274 1.131 2.038
155 HA GLN 23 HA GLN 23 -1.908 2.660 2.909
156 1HB GLN 23 HB2 GLN 23 -3.600 2.091 4.525
157 2HB GLN 23 HB1 GLN 23 -3.438 0.392 4.251
158 1HG GLN 23 HG2 GLN 23 -0.971 0.775 5.003
159 2HG GLN 23 HG1 GLN 23 -1.549 2.353 5.542
160 1HE2 GLN 23 HE21 GLN 23 -0.429 0.106 7.053
161 2HE2 GLN 23 HE22 GLN 23 -1.645 -0.288 8.215
162 H CYS 24 HN CYS 24 0.045 1.992 2.638
163 HA CYS 24 HA CYS 24 0.566 -0.652 1.466
164 1HB CYS 24 HB2 CYS 24 1.717 1.190 0.457
165 2HB CYS 24 HB1 CYS 24 2.385 1.697 1.984
166 H ARG 25 HN ARG 25 0.654 -2.230 2.748
167 HA ARG 25 HA ARG 25 1.782 -1.890 5.488
168 1HB ARG 25 HB2 ARG 25 -0.505 -2.595 5.480
169 2HB ARG 25 HB1 ARG 25 -0.190 -3.867 4.297
170 1HG ARG 25 HG2 ARG 25 1.137 -5.105 5.946
171 2HG ARG 25 HG1 ARG 25 0.943 -3.789 7.118
172 1HD ARG 25 HD2 ARG 25 -1.305 -4.245 7.426
173 2HD ARG 25 HD1 ARG 25 -1.446 -5.146 5.903
174 HE ARG 25 HE ARG 25 0.368 -6.511 7.558
175 1HH1 ARG 25 HH11 ARG 25 -3.042 -5.657 7.566
176 2HH1 ARG 25 HH12 ARG 25 -3.511 -7.145 8.290
177 1HH2 ARG 25 HH21 ARG 25 -0.275 -8.450 8.503
178 2HH2 ARG 25 HH22 ARG 25 -1.951 -8.739 8.833
179 H TYR 26 HN TYR 26 3.116 -3.435 6.254
180 HA TYR 26 HA TYR 26 5.326 -4.099 4.790
181 1HB TYR 26 HB2 TYR 26 4.176 -5.441 7.248
182 2HB TYR 26 HB1 TYR 26 5.754 -5.879 6.587
183 HD1 TYR 26 HD1 TYR 26 3.821 -2.878 7.767
184 HD2 TYR 26 HD2 TYR 26 7.646 -4.756 7.372
185 HE1 TYR 26 HE1 TYR 26 4.842 -1.066 9.039
186 HE2 TYR 26 HE2 TYR 26 8.650 -2.961 8.691
187 HH TYR 26 HH TYR 26 7.134 -0.943 10.590
188 H GLY 27 HN GLY 27 5.012 -4.939 2.864
189 1HA GLY 27 HA2 GLY 27 5.375 -7.145 1.880
190 2HA GLY 27 HA1 GLY 27 3.968 -7.740 2.739
191 H LYS 28 HN LYS 28 2.172 -5.673 2.325
192 HA LYS 28 HA LYS 28 1.899 -5.427 -0.594
193 1HB LYS 28 HB2 LYS 28 -0.169 -6.591 -0.737
194 2HB LYS 28 HB1 LYS 28 0.985 -7.657 0.066
195 1HG LYS 28 HG2 LYS 28 0.031 -7.298 2.201
196 2HG LYS 28 HG1 LYS 28 -0.999 -5.974 1.628
197 1HD LYS 28 HD2 LYS 28 -2.186 -7.602 0.150
198 2HD LYS 28 HD1 LYS 28 -1.233 -8.900 0.895
199 1HE LYS 28 HE2 LYS 28 -2.165 -8.308 3.092
200 2HE LYS 28 HE1 LYS 28 -3.115 -7.016 2.339
201 1HZ LYS 28 HZ1 LYS 28 -4.415 -8.986 2.699
202 2HZ LYS 28 HZ2 LYS 28 -3.375 -9.930 1.764
203 3HZ LYS 28 HZ3 LYS 28 -4.290 -8.691 1.040
204 H CYS 29 HN CYS 29 0.324 -4.099 -1.272
205 HA CYS 29 HA CYS 29 -0.514 -2.043 0.641
206 1HB CYS 29 HB2 CYS 29 0.499 -1.533 -1.610
207 2HB CYS 29 HB1 CYS 29 -0.955 -2.108 -2.359
208 H LEU 30 HN LEU 30 -2.611 -1.533 0.989
209 HA LEU 30 HA LEU 30 -4.745 -3.212 -0.060
210 1HB LEU 30 HB2 LEU 30 -5.520 -3.816 2.243
211 2HB LEU 30 HB1 LEU 30 -4.089 -4.626 1.649
212 HG LEU 30 HG LEU 30 -2.717 -2.893 2.986
213 1HD1 LEU 30 HD11 LEU 30 -4.284 -1.236 3.544
214 2HD1 LEU 30 HD12 LEU 30 -3.989 -2.107 5.025
215 3HD1 LEU 30 HD13 LEU 30 -5.474 -2.398 4.123
216 1HD2 LEU 30 HD21 LEU 30 -3.046 -4.170 5.070
217 2HD2 LEU 30 HD22 LEU 30 -2.784 -5.180 3.656
218 3HD2 LEU 30 HD23 LEU 30 -4.411 -5.000 4.338
219 H VAL 31 HN VAL 31 -6.791 -2.578 0.567
220 HA VAL 31 HA VAL 31 -7.079 0.290 0.491
221 HB VAL 31 HB VAL 31 -9.555 -0.218 0.601
222 1HG1 VAL 31 HG11 VAL 31 -7.748 -1.274 -1.513
223 2HG1 VAL 31 HG12 VAL 31 -8.817 0.113 -1.519
224 3HG1 VAL 31 HG13 VAL 31 -9.486 -1.507 -1.638
225 1HG2 VAL 31 HG21 VAL 31 -9.481 -2.348 1.845
226 2HG2 VAL 31 HG22 VAL 31 -8.609 -3.096 0.505
227 3HG2 VAL 31 HG23 VAL 31 -10.249 -2.525 0.284
228 H GLN 32 HN GLN 32 -6.983 1.565 2.083
229 HA GLN 32 HA GLN 32 -6.919 0.563 4.818
230 1HB GLN 32 HB2 GLN 32 -5.411 2.335 3.786
231 2HB GLN 32 HB1 GLN 32 -6.747 3.451 3.871
232 1HG GLN 32 HG2 GLN 32 -6.855 3.150 6.322
233 2HG GLN 32 HG1 GLN 32 -5.491 2.030 6.239
234 1HE2 GLN 32 HE21 GLN 32 -5.734 4.539 7.707
235 2HE2 GLN 32 HE22 GLN 32 -4.455 5.533 7.109
236 H VAL 33 HN VAL 33 -9.218 -0.104 4.148
237 HA VAL 33 HA VAL 33 -11.229 2.009 4.603
238 HB VAL 33 HB VAL 33 -12.878 0.416 3.780
239 1HG1 VAL 33 HG11 VAL 33 -11.997 0.118 1.439
240 2HG1 VAL 33 HG12 VAL 33 -10.481 0.818 2.003
241 3HG1 VAL 33 HG13 VAL 33 -11.972 1.755 2.082
242 1HG2 VAL 33 HG21 VAL 33 -12.077 -1.716 4.492
243 2HG2 VAL 33 HG22 VAL 33 -10.552 -1.529 3.621
244 3HG2 VAL 33 HG23 VAL 33 -12.053 -1.734 2.741
245 1HG HSL 34 HG1 HSL 34 -14.839 2.418 9.654
246 2HG HSL 34 HG2 HSL 34 -13.830 1.426 10.728
247 H HSL 34 HN HSL 34 -12.772 1.774 6.103
248 HA HSL 34 HA HSL 34 -12.057 -0.128 8.469
249 1HB HSL 34 HB1 HSL 34 -12.129 1.953 9.366
250 2HB HSL 34 HB2 HSL 34 -13.220 2.564 8.116
Start of MODEL 22
1 1H ALA 1 HT1 ALA 1 4.286 3.242 -11.323
2 2H ALA 1 HT2 ALA 1 2.889 3.857 -12.080
3 3H ALA 1 HT3 ALA 1 3.829 2.694 -12.858
4 HA ALA 1 HA ALA 1 1.856 1.674 -12.023
5 1HB ALA 1 HB1 ALA 1 3.895 0.365 -12.118
6 2HB ALA 1 HB2 ALA 1 2.894 -0.161 -10.770
7 3HB ALA 1 HB3 ALA 1 4.329 0.844 -10.480
8 H CYS 2 HN CYS 2 0.255 2.238 -10.842
9 HA CYS 2 HA CYS 2 0.637 3.419 -8.180
10 1HB CYS 2 HB2 CYS 2 -1.046 4.222 -9.901
11 2HB CYS 2 HB1 CYS 2 -2.002 2.791 -9.551
12 H GLY 3 HN GLY 3 0.642 2.287 -6.456
13 1HA GLY 3 HA2 GLY 3 0.419 -0.508 -6.329
14 2HA GLY 3 HA1 GLY 3 0.490 0.596 -4.968
15 H ILE 4 HN ILE 4 -1.252 -1.766 -5.998
16 HA ILE 4 HA ILE 4 -3.900 -0.565 -5.413
17 HB ILE 4 HB ILE 4 -4.872 -2.531 -6.626
18 1HG1 ILE 4 HG12 ILE 4 -2.001 -2.926 -7.545
19 2HG1 ILE 4 HG11 ILE 4 -2.880 -4.037 -6.489
20 1HG2 ILE 4 HG21 ILE 4 -3.088 -0.748 -8.312
21 2HG2 ILE 4 HG22 ILE 4 -4.658 -0.294 -7.633
22 3HG2 ILE 4 HG23 ILE 4 -4.564 -1.588 -8.812
23 1HD1 ILE 4 HD11 ILE 4 -4.504 -4.388 -8.337
24 2HD1 ILE 4 HD12 ILE 4 -2.853 -4.902 -8.668
25 3HD1 ILE 4 HD13 ILE 4 -3.452 -3.404 -9.370
26 H LEU 5 HN LEU 5 -5.404 -2.062 -4.582
27 HA LEU 5 HA LEU 5 -4.762 -2.638 -1.965
28 1HB LEU 5 HB2 LEU 5 -6.999 -3.673 -1.800
29 2HB LEU 5 HB1 LEU 5 -6.977 -2.103 -2.565
30 HG LEU 5 HG LEU 5 -6.861 -4.398 -4.449
31 1HD1 LEU 5 HD11 LEU 5 -8.449 -5.251 -2.782
32 2HD1 LEU 5 HD12 LEU 5 -9.207 -4.852 -4.319
33 3HD1 LEU 5 HD13 LEU 5 -9.394 -3.760 -2.948
34 1HD2 LEU 5 HD21 LEU 5 -8.405 -1.811 -4.355
35 2HD2 LEU 5 HD22 LEU 5 -8.451 -2.993 -5.658
36 3HD2 LEU 5 HD23 LEU 5 -6.961 -2.147 -5.315
37 H HIS 6 HN HIS 6 -4.104 -4.570 -4.642
38 HA HIS 6 HA HIS 6 -3.205 -6.705 -2.827
39 1HB HIS 6 HB2 HIS 6 -3.997 -8.414 -4.461
40 2HB HIS 6 HB1 HIS 6 -5.302 -7.518 -3.705
41 HD1 HIS 6 HD1 HIS 6 -3.649 -8.060 -7.026
42 HD2 HIS 6 HD2 HIS 6 -6.879 -6.030 -5.413
43 HE1 HIS 6 HE1 HIS 6 -5.004 -7.266 -8.984
44 HE2 HIS 6 HE2 HIS 6 -6.970 -6.060 -7.976
45 H ASP 7 HN ASP 7 -1.677 -4.717 -3.605
46 HA ASP 7 HA ASP 7 0.170 -6.157 -5.469
47 1HB ASP 7 HB2 ASP 7 -0.712 -3.786 -6.088
48 2HB ASP 7 HB1 ASP 7 0.396 -3.176 -4.893
49 H ASN 8 HN ASN 8 2.455 -5.674 -4.970
50 HA ASN 8 HA ASN 8 2.775 -6.108 -2.073
51 1HB ASN 8 HB2 ASN 8 4.367 -7.101 -4.435
52 2HB ASN 8 HB1 ASN 8 4.843 -7.347 -2.748
53 1HD2 ASN 8 HD21 ASN 8 4.208 -9.317 -4.818
54 2HD2 ASN 8 HD22 ASN 8 2.907 -10.243 -4.159
55 H CYS 9 HN CYS 9 3.819 -4.776 -0.935
56 HA CYS 9 HA CYS 9 5.972 -3.102 -1.877
57 1HB CYS 9 HB2 CYS 9 4.724 -0.961 -1.416
58 2HB CYS 9 HB1 CYS 9 4.150 -1.843 -2.818
59 H VAL 10 HN VAL 10 6.843 -1.797 -0.275
60 HA VAL 10 HA VAL 10 6.496 -2.977 2.435
61 HB VAL 10 HB VAL 10 8.712 -1.917 2.936
62 1HG1 VAL 10 HG11 VAL 10 8.534 -4.275 2.290
63 2HG1 VAL 10 HG12 VAL 10 10.022 -3.531 1.716
64 3HG1 VAL 10 HG13 VAL 10 8.703 -3.821 0.585
65 1HG2 VAL 10 HG21 VAL 10 10.081 -1.109 1.131
66 2HG2 VAL 10 HG22 VAL 10 8.635 -0.124 1.183
67 3HG2 VAL 10 HG23 VAL 10 8.814 -1.377 -0.051
68 H TYR 11 HN TYR 11 6.537 -1.702 4.229
69 HA TYR 11 HA TYR 11 4.726 0.545 3.992
70 1HB TYR 11 HB2 TYR 11 4.473 -1.130 5.764
71 2HB TYR 11 HB1 TYR 11 6.023 -0.680 6.459
72 HD1 TYR 11 HD1 TYR 11 6.006 0.871 8.216
73 HD2 TYR 11 HD2 TYR 11 2.742 0.892 5.469
74 HE1 TYR 11 HE1 TYR 11 4.865 2.568 9.563
75 HE2 TYR 11 HE2 TYR 11 1.604 2.578 6.814
76 HH TYR 11 HH TYR 11 2.961 4.477 8.931
77 H VAL 12 HN VAL 12 6.177 1.771 2.719
78 HA VAL 12 HA VAL 12 7.874 3.504 4.440
79 HB VAL 12 HB VAL 12 8.267 2.955 1.490
80 1HG1 VAL 12 HG11 VAL 12 8.892 5.211 1.856
81 2HG1 VAL 12 HG12 VAL 12 10.379 4.291 1.939
82 3HG1 VAL 12 HG13 VAL 12 9.622 4.851 3.427
83 1HG2 VAL 12 HG21 VAL 12 10.016 2.202 3.843
84 2HG2 VAL 12 HG22 VAL 12 10.334 1.912 2.134
85 3HG2 VAL 12 HG23 VAL 12 8.999 1.083 2.923
86 HA PRO 13 HA PRO 13 4.119 5.821 3.732
87 1HB PRO 13 HB2 PRO 13 5.781 7.872 5.156
88 2HB PRO 13 HB1 PRO 13 4.141 7.292 5.473
89 1HG PRO 13 HG2 PRO 13 6.201 6.534 6.969
90 2HG PRO 13 HG1 PRO 13 4.885 5.406 6.591
91 1HD PRO 13 HD2 PRO 13 7.657 5.560 5.473
92 2HD PRO 13 HD1 PRO 13 6.612 4.158 5.836
93 H ALA 14 HN ALA 14 7.272 7.425 3.441
94 HA ALA 14 HA ALA 14 6.359 9.578 1.826
95 1HB ALA 14 HB1 ALA 14 8.719 10.057 1.481
96 2HB ALA 14 HB2 ALA 14 9.158 8.463 2.126
97 3HB ALA 14 HB3 ALA 14 8.385 9.657 3.162
98 H GLN 15 HN GLN 15 7.172 6.317 1.153
99 HA GLN 15 HA GLN 15 7.009 6.856 -1.752
100 1HB GLN 15 HB2 GLN 15 9.264 6.237 -0.978
101 2HB GLN 15 HB1 GLN 15 8.638 4.735 -0.293
102 1HG GLN 15 HG2 GLN 15 8.026 3.946 -2.531
103 2HG GLN 15 HG1 GLN 15 8.509 5.490 -3.235
104 1HE2 GLN 15 HE21 GLN 15 9.407 2.721 -3.747
105 2HE2 GLN 15 HE22 GLN 15 11.114 2.777 -3.490
106 H ASN 16 HN ASN 16 4.849 6.433 0.003
107 HA ASN 16 HA ASN 16 3.878 3.763 -0.318
108 1HB ASN 16 HB2 ASN 16 3.038 5.277 1.424
109 2HB ASN 16 HB1 ASN 16 2.327 6.333 0.212
110 1HD2 ASN 16 HD21 ASN 16 0.387 5.728 -0.758
111 2HD2 ASN 16 HD22 ASN 16 -0.521 4.378 -0.188
112 HA PRO 17 HA PRO 17 3.481 4.632 -4.705
113 1HB PRO 17 HB2 PRO 17 3.428 2.095 -5.532
114 2HB PRO 17 HB1 PRO 17 4.865 2.773 -4.759
115 1HG PRO 17 HG2 PRO 17 2.712 1.077 -3.505
116 2HG PRO 17 HG1 PRO 17 4.475 0.891 -3.440
117 1HD PRO 17 HD2 PRO 17 3.037 2.119 -1.495
118 2HD PRO 17 HD1 PRO 17 4.727 2.481 -1.843
119 H CYS 18 HN CYS 18 1.189 3.443 -2.591
120 HA CYS 18 HA CYS 18 -0.640 2.377 -4.462
121 1HB CYS 18 HB2 CYS 18 -0.916 2.937 -1.519
122 2HB CYS 18 HB1 CYS 18 -2.055 2.078 -2.524
123 H CYS 19 HN CYS 19 -2.498 3.041 -5.077
124 HA CYS 19 HA CYS 19 -2.937 5.755 -5.659
125 1HB CYS 19 HB2 CYS 19 -5.010 3.534 -5.407
126 2HB CYS 19 HB1 CYS 19 -5.188 5.041 -6.320
127 H ARG 20 HN ARG 20 -4.010 7.320 -4.777
128 HA ARG 20 HA ARG 20 -3.913 7.697 -2.061
129 1HB ARG 20 HB2 ARG 20 -5.271 9.665 -2.362
130 2HB ARG 20 HB1 ARG 20 -4.127 9.479 -3.691
131 1HG ARG 20 HG2 ARG 20 -5.985 8.528 -5.089
132 2HG ARG 20 HG1 ARG 20 -7.104 8.925 -3.780
133 1HD ARG 20 HD2 ARG 20 -5.469 10.836 -5.424
134 2HD ARG 20 HD1 ARG 20 -7.218 10.618 -5.372
135 HE ARG 20 HE ARG 20 -5.840 11.469 -2.899
136 1HH1 ARG 20 HH11 ARG 20 -7.965 12.342 -5.561
137 2HH1 ARG 20 HH12 ARG 20 -8.389 13.833 -4.832
138 1HH2 ARG 20 HH21 ARG 20 -6.439 13.422 -1.980
139 2HH2 ARG 20 HH22 ARG 20 -7.542 14.463 -2.818
140 H GLY 21 HN GLY 21 -4.761 6.593 -0.562
141 1HA GLY 21 HA2 GLY 21 -6.894 6.291 0.665
142 2HA GLY 21 HA1 GLY 21 -7.576 5.593 -0.796
143 H LEU 22 HN LEU 22 -4.764 4.438 -1.249
144 HA LEU 22 HA LEU 22 -5.163 2.016 0.415
145 1HB LEU 22 HB2 LEU 22 -3.596 2.405 -2.123
146 2HB LEU 22 HB1 LEU 22 -3.851 0.876 -1.301
147 HG LEU 22 HG LEU 22 -5.978 2.571 -2.616
148 1HD1 LEU 22 HD11 LEU 22 -4.715 0.006 -3.538
149 2HD1 LEU 22 HD12 LEU 22 -4.412 1.595 -4.245
150 3HD1 LEU 22 HD13 LEU 22 -6.015 0.876 -4.330
151 1HD2 LEU 22 HD21 LEU 22 -6.996 1.322 -0.868
152 2HD2 LEU 22 HD22 LEU 22 -6.066 -0.138 -1.255
153 3HD2 LEU 22 HD23 LEU 22 -7.305 0.451 -2.360
154 H GLN 23 HN GLN 23 -3.553 1.134 1.519
155 HA GLN 23 HA GLN 23 -1.030 2.669 1.802
156 1HB GLN 23 HB2 GLN 23 -2.690 3.379 3.524
157 2HB GLN 23 HB1 GLN 23 -2.758 1.722 4.132
158 1HG GLN 23 HG2 GLN 23 -0.316 1.863 4.660
159 2HG GLN 23 HG1 GLN 23 -0.315 3.536 4.081
160 1HE2 GLN 23 HE21 GLN 23 -1.422 5.122 5.298
161 2HE2 GLN 23 HE22 GLN 23 -1.798 4.825 6.957
162 H CYS 24 HN CYS 24 0.685 1.519 2.124
163 HA CYS 24 HA CYS 24 0.506 -1.316 1.624
164 1HB CYS 24 HB2 CYS 24 2.846 0.522 1.995
165 2HB CYS 24 HB1 CYS 24 3.020 -1.208 1.684
166 H ARG 25 HN ARG 25 0.274 -2.788 3.061
167 HA ARG 25 HA ARG 25 1.541 -2.630 5.692
168 1HB ARG 25 HB2 ARG 25 -0.365 -4.068 5.524
169 2HB ARG 25 HB1 ARG 25 0.227 -4.858 4.090
170 1HG ARG 25 HG2 ARG 25 0.521 -6.393 5.791
171 2HG ARG 25 HG1 ARG 25 2.142 -5.799 5.523
172 1HD ARG 25 HD2 ARG 25 1.963 -5.827 7.784
173 2HD ARG 25 HD1 ARG 25 1.582 -4.137 7.480
174 HE ARG 25 HE ARG 25 -0.882 -5.196 7.486
175 1HH1 ARG 25 HH11 ARG 25 1.800 -5.635 9.740
176 2HH1 ARG 25 HH12 ARG 25 0.753 -5.985 11.053
177 1HH2 ARG 25 HH21 ARG 25 -2.212 -5.670 9.240
178 2HH2 ARG 25 HH22 ARG 25 -1.518 -6.002 10.793
179 H TYR 26 HN TYR 26 3.455 -3.610 6.205
180 HA TYR 26 HA TYR 26 5.517 -3.452 4.297
181 1HB TYR 26 HB2 TYR 26 5.694 -3.355 6.830
182 2HB TYR 26 HB1 TYR 26 5.666 -5.111 6.841
183 HD1 TYR 26 HD1 TYR 26 7.616 -2.110 6.009
184 HD2 TYR 26 HD2 TYR 26 7.588 -6.391 5.925
185 HE1 TYR 26 HE1 TYR 26 10.023 -2.123 5.601
186 HE2 TYR 26 HE2 TYR 26 10.001 -6.388 5.524
187 HH TYR 26 HH TYR 26 11.976 -4.022 6.130
188 H GLY 27 HN GLY 27 4.790 -4.564 2.542
189 1HA GLY 27 HA2 GLY 27 5.725 -6.799 1.667
190 2HA GLY 27 HA1 GLY 27 4.496 -7.509 2.711
191 H LYS 28 HN LYS 28 2.414 -5.719 2.368
192 HA LYS 28 HA LYS 28 1.846 -5.599 -0.494
193 1HB LYS 28 HB2 LYS 28 -0.066 -6.969 -0.435
194 2HB LYS 28 HB1 LYS 28 1.262 -7.892 0.241
195 1HG LYS 28 HG2 LYS 28 0.512 -7.695 2.448
196 2HG LYS 28 HG1 LYS 28 -0.681 -6.452 2.086
197 1HD LYS 28 HD2 LYS 28 -0.771 -9.331 1.136
198 2HD LYS 28 HD1 LYS 28 -1.698 -8.621 2.456
199 1HE LYS 28 HE2 LYS 28 -2.790 -7.076 0.877
200 2HE LYS 28 HE1 LYS 28 -1.898 -7.808 -0.461
201 1HZ LYS 28 HZ1 LYS 28 -3.847 -9.211 1.278
202 2HZ LYS 28 HZ2 LYS 28 -2.975 -9.909 -0.006
203 3HZ LYS 28 HZ3 LYS 28 -4.088 -8.676 -0.306
204 H CYS 29 HN CYS 29 0.181 -4.407 -1.091
205 HA CYS 29 HA CYS 29 -0.425 -2.199 0.653
206 1HB CYS 29 HB2 CYS 29 0.126 -2.003 -1.795
207 2HB CYS 29 HB1 CYS 29 -1.406 -2.699 -2.131
208 H LEU 30 HN LEU 30 -2.348 -1.561 1.346
209 HA LEU 30 HA LEU 30 -4.611 -3.479 1.195
210 1HB LEU 30 HB2 LEU 30 -3.539 -2.116 3.693
211 2HB LEU 30 HB1 LEU 30 -4.986 -3.126 3.610
212 HG LEU 30 HG LEU 30 -2.164 -4.109 3.086
213 1HD1 LEU 30 HD11 LEU 30 -2.470 -3.429 5.413
214 2HD1 LEU 30 HD12 LEU 30 -2.335 -5.174 5.233
215 3HD1 LEU 30 HD13 LEU 30 -3.915 -4.450 5.521
216 1HD2 LEU 30 HD21 LEU 30 -4.801 -5.579 3.374
217 2HD2 LEU 30 HD22 LEU 30 -3.207 -6.318 3.273
218 3HD2 LEU 30 HD23 LEU 30 -3.840 -5.442 1.894
219 H VAL 31 HN VAL 31 -6.577 -2.638 1.810
220 HA VAL 31 HA VAL 31 -7.025 0.058 0.806
221 HB VAL 31 HB VAL 31 -9.048 -1.889 1.958
222 1HG1 VAL 31 HG11 VAL 31 -9.309 0.668 0.346
223 2HG1 VAL 31 HG12 VAL 31 -10.005 0.292 1.932
224 3HG1 VAL 31 HG13 VAL 31 -10.595 -0.524 0.500
225 1HG2 VAL 31 HG21 VAL 31 -7.849 -2.875 0.035
226 2HG2 VAL 31 HG22 VAL 31 -8.310 -1.469 -0.941
227 3HG2 VAL 31 HG23 VAL 31 -9.546 -2.541 -0.293
228 H GLN 32 HN GLN 32 -6.469 1.599 2.091
229 HA GLN 32 HA GLN 32 -6.790 1.417 4.980
230 1HB GLN 32 HB2 GLN 32 -4.899 2.574 3.842
231 2HB GLN 32 HB1 GLN 32 -5.969 3.838 3.303
232 1HG GLN 32 HG2 GLN 32 -5.633 3.094 6.228
233 2HG GLN 32 HG1 GLN 32 -4.582 4.232 5.398
234 1HE2 GLN 32 HE21 GLN 32 -6.580 4.520 7.637
235 2HE2 GLN 32 HE22 GLN 32 -7.570 5.834 7.113
236 H VAL 33 HN VAL 33 -8.802 1.317 5.533
237 HA VAL 33 HA VAL 33 -10.467 3.716 5.115
238 HB VAL 33 HB VAL 33 -11.191 2.181 3.338
239 1HG1 VAL 33 HG11 VAL 33 -12.021 0.171 5.431
240 2HG1 VAL 33 HG12 VAL 33 -10.493 0.058 4.550
241 3HG1 VAL 33 HG13 VAL 33 -12.020 0.025 3.683
242 1HG2 VAL 33 HG21 VAL 33 -12.833 3.648 4.599
243 2HG2 VAL 33 HG22 VAL 33 -13.319 2.195 5.488
244 3HG2 VAL 33 HG23 VAL 33 -13.502 2.266 3.745
245 1HG HSL 34 HG1 HSL 34 -9.807 2.001 11.822
246 2HG HSL 34 HG2 HSL 34 -8.103 1.912 11.330
247 H HSL 34 HN HSL 34 -9.344 3.754 7.193
248 HA HSL 34 HA HSL 34 -11.069 3.219 9.068
249 1HB HSL 34 HB1 HSL 34 -10.281 1.215 9.777
250 2HB HSL 34 HB2 HSL 34 -8.645 1.536 9.191
Start of MODEL 23
1 1H ALA 1 HT1 ALA 1 1.241 3.039 -13.723
2 2H ALA 1 HT2 ALA 1 2.359 2.501 -12.574
3 3H ALA 1 HT3 ALA 1 1.610 4.021 -12.400
4 HA ALA 1 HA ALA 1 -0.549 2.966 -12.172
5 1HB ALA 1 HB1 ALA 1 1.003 0.368 -12.261
6 2HB ALA 1 HB2 ALA 1 -0.068 1.000 -13.506
7 3HB ALA 1 HB3 ALA 1 -0.735 0.537 -11.945
8 H CYS 2 HN CYS 2 -0.961 3.625 -10.274
9 HA CYS 2 HA CYS 2 0.803 3.471 -8.030
10 1HB CYS 2 HB2 CYS 2 -1.201 4.267 -6.752
11 2HB CYS 2 HB1 CYS 2 -0.781 5.243 -8.125
12 H GLY 3 HN GLY 3 0.663 2.276 -6.211
13 1HA GLY 3 HA2 GLY 3 0.239 -0.425 -6.387
14 2HA GLY 3 HA1 GLY 3 0.340 0.468 -4.890
15 H ILE 4 HN ILE 4 -1.485 -1.596 -6.446
16 HA ILE 4 HA ILE 4 -4.132 -0.521 -5.835
17 HB ILE 4 HB ILE 4 -4.980 -2.584 -6.937
18 1HG1 ILE 4 HG12 ILE 4 -2.055 -3.201 -7.468
19 2HG1 ILE 4 HG11 ILE 4 -3.049 -4.096 -6.318
20 1HG2 ILE 4 HG21 ILE 4 -2.921 -1.121 -8.602
21 2HG2 ILE 4 HG22 ILE 4 -4.544 -0.535 -8.209
22 3HG2 ILE 4 HG23 ILE 4 -4.356 -1.990 -9.168
23 1HD1 ILE 4 HD11 ILE 4 -3.380 -3.945 -9.299
24 2HD1 ILE 4 HD12 ILE 4 -4.528 -4.732 -8.203
25 3HD1 ILE 4 HD13 ILE 4 -2.870 -5.312 -8.317
26 H LEU 5 HN LEU 5 -5.667 -2.298 -5.151
27 HA LEU 5 HA LEU 5 -5.610 -2.230 -2.453
28 1HB LEU 5 HB2 LEU 5 -7.556 -3.567 -2.441
29 2HB LEU 5 HB1 LEU 5 -7.570 -2.629 -3.919
30 HG LEU 5 HG LEU 5 -6.784 -5.560 -3.792
31 1HD1 LEU 5 HD11 LEU 5 -9.127 -5.250 -3.209
32 2HD1 LEU 5 HD12 LEU 5 -8.907 -6.027 -4.771
33 3HD1 LEU 5 HD13 LEU 5 -9.372 -4.328 -4.704
34 1HD2 LEU 5 HD21 LEU 5 -7.256 -3.682 -6.121
35 2HD2 LEU 5 HD22 LEU 5 -7.104 -5.432 -6.239
36 3HD2 LEU 5 HD23 LEU 5 -5.739 -4.484 -5.692
37 H HIS 6 HN HIS 6 -4.067 -4.642 -4.395
38 HA HIS 6 HA HIS 6 -2.906 -5.812 -1.962
39 1HB HIS 6 HB2 HIS 6 -3.356 -8.108 -2.716
40 2HB HIS 6 HB1 HIS 6 -4.854 -7.224 -2.472
41 HD1 HIS 6 HD1 HIS 6 -2.576 -8.107 -5.422
42 HD2 HIS 6 HD2 HIS 6 -6.590 -7.576 -4.501
43 HE1 HIS 6 HE1 HIS 6 -3.809 -8.549 -7.543
44 HE2 HIS 6 HE2 HIS 6 -6.231 -8.148 -6.994
45 H ASP 7 HN ASP 7 -1.697 -4.052 -3.472
46 HA ASP 7 HA ASP 7 0.022 -5.506 -5.386
47 1HB ASP 7 HB2 ASP 7 -0.742 -3.280 -5.967
48 2HB ASP 7 HB1 ASP 7 -0.001 -2.566 -4.567
49 H ASN 8 HN ASN 8 2.121 -5.879 -5.094
50 HA ASN 8 HA ASN 8 2.910 -6.296 -2.323
51 1HB ASN 8 HB2 ASN 8 4.300 -6.880 -4.962
52 2HB ASN 8 HB1 ASN 8 4.994 -7.279 -3.384
53 1HD2 ASN 8 HD21 ASN 8 4.245 -9.016 -5.610
54 2HD2 ASN 8 HD22 ASN 8 3.110 -10.128 -4.931
55 H CYS 9 HN CYS 9 4.081 -5.098 -1.155
56 HA CYS 9 HA CYS 9 6.172 -3.404 -1.934
57 1HB CYS 9 HB2 CYS 9 5.094 -1.185 -1.559
58 2HB CYS 9 HB1 CYS 9 4.493 -1.990 -2.984
59 H VAL 10 HN VAL 10 7.199 -2.527 -0.282
60 HA VAL 10 HA VAL 10 6.597 -3.600 2.362
61 HB VAL 10 HB VAL 10 8.715 -2.501 3.050
62 1HG1 VAL 10 HG11 VAL 10 8.740 -4.776 2.148
63 2HG1 VAL 10 HG12 VAL 10 10.199 -3.878 1.748
64 3HG1 VAL 10 HG13 VAL 10 8.966 -4.127 0.514
65 1HG2 VAL 10 HG21 VAL 10 10.106 -1.380 1.471
66 2HG2 VAL 10 HG22 VAL 10 8.572 -0.544 1.463
67 3HG2 VAL 10 HG23 VAL 10 8.981 -1.646 0.154
68 H TYR 11 HN TYR 11 6.920 -2.140 4.234
69 HA TYR 11 HA TYR 11 4.729 -0.247 4.127
70 1HB TYR 11 HB2 TYR 11 5.034 -1.805 6.002
71 2HB TYR 11 HB1 TYR 11 6.556 -1.042 6.431
72 HD1 TYR 11 HD1 TYR 11 6.566 0.910 7.823
73 HD2 TYR 11 HD2 TYR 11 2.884 -0.460 6.150
74 HE1 TYR 11 HE1 TYR 11 5.329 2.484 9.228
75 HE2 TYR 11 HE2 TYR 11 1.654 1.124 7.542
76 HH TYR 11 HH TYR 11 2.276 2.311 9.970
77 H VAL 12 HN VAL 12 5.717 1.092 2.595
78 HA VAL 12 HA VAL 12 7.494 3.135 3.841
79 HB VAL 12 HB VAL 12 8.214 3.705 1.497
80 1HG1 VAL 12 HG11 VAL 12 8.976 1.031 2.678
81 2HG1 VAL 12 HG12 VAL 12 9.741 2.601 2.947
82 3HG1 VAL 12 HG13 VAL 12 9.836 1.836 1.366
83 1HG2 VAL 12 HG21 VAL 12 8.038 1.982 -0.199
84 2HG2 VAL 12 HG22 VAL 12 6.432 2.510 0.238
85 3HG2 VAL 12 HG23 VAL 12 7.060 0.982 0.848
86 HA PRO 13 HA PRO 13 3.434 5.026 3.048
87 1HB PRO 13 HB2 PRO 13 3.332 6.468 5.329
88 2HB PRO 13 HB1 PRO 13 2.976 4.743 5.257
89 1HG PRO 13 HG2 PRO 13 5.488 6.095 6.158
90 2HG PRO 13 HG1 PRO 13 4.623 4.720 6.869
91 1HD PRO 13 HD2 PRO 13 6.832 4.493 5.283
92 2HD PRO 13 HD1 PRO 13 5.600 3.229 5.503
93 H ALA 14 HN ALA 14 6.509 6.422 3.973
94 HA ALA 14 HA ALA 14 6.009 9.136 3.725
95 1HB ALA 14 HB1 ALA 14 8.068 8.202 4.619
96 2HB ALA 14 HB2 ALA 14 8.414 9.389 3.367
97 3HB ALA 14 HB3 ALA 14 8.559 7.654 3.019
98 H GLN 15 HN GLN 15 7.040 6.779 1.351
99 HA GLN 15 HA GLN 15 5.896 8.518 -0.773
100 1HB GLN 15 HB2 GLN 15 8.396 8.318 -0.891
101 2HB GLN 15 HB1 GLN 15 8.245 6.575 -1.002
102 1HG GLN 15 HG2 GLN 15 8.639 7.603 -3.163
103 2HG GLN 15 HG1 GLN 15 7.100 6.769 -3.156
104 1HE2 GLN 15 HE21 GLN 15 8.710 9.870 -3.209
105 2HE2 GLN 15 HE22 GLN 15 7.315 10.773 -3.679
106 H ASN 16 HN ASN 16 4.148 7.266 0.378
107 HA ASN 16 HA ASN 16 3.728 4.532 -0.126
108 1HB ASN 16 HB2 ASN 16 2.451 5.701 1.528
109 2HB ASN 16 HB1 ASN 16 1.748 6.771 0.351
110 1HD2 ASN 16 HD21 ASN 16 -0.017 6.085 -0.819
111 2HD2 ASN 16 HD22 ASN 16 -0.812 4.597 -0.476
112 HA PRO 17 HA PRO 17 3.424 5.113 -4.550
113 1HB PRO 17 HB2 PRO 17 3.796 2.548 -5.217
114 2HB PRO 17 HB1 PRO 17 5.073 3.492 -4.444
115 1HG PRO 17 HG2 PRO 17 3.148 1.573 -3.152
116 2HG PRO 17 HG1 PRO 17 4.916 1.646 -3.023
117 1HD PRO 17 HD2 PRO 17 3.283 2.744 -1.181
118 2HD PRO 17 HD1 PRO 17 4.892 3.391 -1.558
119 H CYS 18 HN CYS 18 1.233 3.615 -2.491
120 HA CYS 18 HA CYS 18 -0.422 2.382 -4.430
121 1HB CYS 18 HB2 CYS 18 -0.805 2.939 -1.512
122 2HB CYS 18 HB1 CYS 18 -1.942 2.082 -2.521
123 H CYS 19 HN CYS 19 -2.517 2.826 -4.837
124 HA CYS 19 HA CYS 19 -2.993 5.476 -5.738
125 1HB CYS 19 HB2 CYS 19 -5.093 3.334 -5.235
126 2HB CYS 19 HB1 CYS 19 -5.158 4.677 -6.383
127 H ARG 20 HN ARG 20 -4.520 6.947 -5.057
128 HA ARG 20 HA ARG 20 -4.177 7.602 -2.327
129 1HB ARG 20 HB2 ARG 20 -4.536 9.188 -4.222
130 2HB ARG 20 HB1 ARG 20 -6.252 8.773 -4.230
131 1HG ARG 20 HG2 ARG 20 -6.480 9.627 -1.937
132 2HG ARG 20 HG1 ARG 20 -4.742 9.960 -1.870
133 1HD ARG 20 HD2 ARG 20 -5.824 11.987 -2.292
134 2HD ARG 20 HD1 ARG 20 -5.062 11.505 -3.808
135 HE ARG 20 HE ARG 20 -7.912 10.831 -3.379
136 1HH1 ARG 20 HH11 ARG 20 -5.536 12.842 -5.036
137 2HH1 ARG 20 HH12 ARG 20 -6.710 13.528 -6.077
138 1HH2 ARG 20 HH21 ARG 20 -9.420 11.767 -4.782
139 2HH2 ARG 20 HH22 ARG 20 -8.906 12.936 -5.952
140 H GLY 21 HN GLY 21 -4.952 6.381 -0.840
141 1HA GLY 21 HA2 GLY 21 -7.048 6.065 0.448
142 2HA GLY 21 HA1 GLY 21 -7.775 5.393 -1.004
143 H LEU 22 HN LEU 22 -4.658 4.470 -1.134
144 HA LEU 22 HA LEU 22 -5.073 1.977 0.446
145 1HB LEU 22 HB2 LEU 22 -3.641 2.289 -2.198
146 2HB LEU 22 HB1 LEU 22 -3.903 0.787 -1.326
147 HG LEU 22 HG LEU 22 -6.065 2.500 -2.565
148 1HD1 LEU 22 HD11 LEU 22 -4.579 1.504 -4.258
149 2HD1 LEU 22 HD12 LEU 22 -6.196 0.821 -4.277
150 3HD1 LEU 22 HD13 LEU 22 -4.881 -0.076 -3.550
151 1HD2 LEU 22 HD21 LEU 22 -6.976 1.243 -0.742
152 2HD2 LEU 22 HD22 LEU 22 -6.111 -0.224 -1.235
153 3HD2 LEU 22 HD23 LEU 22 -7.408 0.424 -2.233
154 H GLN 23 HN GLN 23 -3.280 1.067 1.334
155 HA GLN 23 HA GLN 23 -0.848 2.733 1.457
156 1HB GLN 23 HB2 GLN 23 -2.226 3.465 3.256
157 2HB GLN 23 HB1 GLN 23 -2.462 1.834 3.869
158 1HG GLN 23 HG2 GLN 23 0.006 1.756 4.343
159 2HG GLN 23 HG1 GLN 23 0.136 3.421 3.755
160 1HE2 GLN 23 HE21 GLN 23 0.929 4.130 5.748
161 2HE2 GLN 23 HE22 GLN 23 -0.108 4.251 7.122
162 H CYS 24 HN CYS 24 0.932 1.689 1.537
163 HA CYS 24 HA CYS 24 0.982 -1.147 1.216
164 1HB CYS 24 HB2 CYS 24 3.149 0.897 1.509
165 2HB CYS 24 HB1 CYS 24 3.482 -0.830 1.358
166 H ARG 25 HN ARG 25 0.643 -2.500 2.718
167 HA ARG 25 HA ARG 25 1.706 -2.077 5.415
168 1HB ARG 25 HB2 ARG 25 -0.560 -3.090 5.099
169 2HB ARG 25 HB1 ARG 25 0.150 -4.420 4.221
170 1HG ARG 25 HG2 ARG 25 -0.313 -5.112 6.442
171 2HG ARG 25 HG1 ARG 25 1.430 -5.092 6.254
172 1HD ARG 25 HD2 ARG 25 1.360 -2.751 7.309
173 2HD ARG 25 HD1 ARG 25 -0.347 -3.093 7.650
174 HE ARG 25 HE ARG 25 1.221 -5.206 8.661
175 1HH1 ARG 25 HH11 ARG 25 0.550 -1.806 9.253
176 2HH1 ARG 25 HH12 ARG 25 1.003 -1.902 10.909
177 1HH2 ARG 25 HH21 ARG 25 1.785 -5.303 10.857
178 2HH2 ARG 25 HH22 ARG 25 1.702 -3.875 11.834
179 H TYR 26 HN TYR 26 3.146 -3.546 6.337
180 HA TYR 26 HA TYR 26 5.431 -4.079 4.953
181 1HB TYR 26 HB2 TYR 26 5.317 -4.085 7.375
182 2HB TYR 26 HB1 TYR 26 4.372 -5.568 7.386
183 HD1 TYR 26 HD1 TYR 26 7.686 -4.166 6.323
184 HD2 TYR 26 HD2 TYR 26 5.496 -7.658 7.479
185 HE1 TYR 26 HE1 TYR 26 9.763 -5.457 6.382
186 HE2 TYR 26 HE2 TYR 26 7.581 -8.938 7.535
187 HH TYR 26 HH TYR 26 10.492 -7.754 7.751
188 H GLY 27 HN GLY 27 5.132 -4.945 3.017
189 1HA GLY 27 HA2 GLY 27 5.693 -7.150 2.063
190 2HA GLY 27 HA1 GLY 27 4.288 -7.810 2.880
191 H LYS 28 HN LYS 28 2.458 -5.765 2.420
192 HA LYS 28 HA LYS 28 2.248 -5.298 -0.434
193 1HB LYS 28 HB2 LYS 28 0.160 -6.658 -0.693
194 2HB LYS 28 HB1 LYS 28 1.649 -7.580 -0.497
195 1HG LYS 28 HG2 LYS 28 1.107 -7.958 1.890
196 2HG LYS 28 HG1 LYS 28 -0.433 -7.096 1.653
197 1HD LYS 28 HD2 LYS 28 -1.205 -8.744 0.085
198 2HD LYS 28 HD1 LYS 28 0.373 -9.548 0.052
199 1HE LYS 28 HE2 LYS 28 -1.099 -10.832 1.387
200 2HE LYS 28 HE1 LYS 28 0.071 -10.095 2.475
201 1HZ LYS 28 HZ1 LYS 28 -2.271 -10.050 3.234
202 2HZ LYS 28 HZ2 LYS 28 -2.665 -8.989 1.983
203 3HZ LYS 28 HZ3 LYS 28 -1.562 -8.521 3.191
204 H CYS 29 HN CYS 29 0.350 -4.311 -1.039
205 HA CYS 29 HA CYS 29 -0.289 -2.182 0.780
206 1HB CYS 29 HB2 CYS 29 0.230 -1.966 -1.698
207 2HB CYS 29 HB1 CYS 29 -1.335 -2.616 -2.007
208 H LEU 30 HN LEU 30 -2.163 -1.678 1.621
209 HA LEU 30 HA LEU 30 -4.420 -3.586 1.302
210 1HB LEU 30 HB2 LEU 30 -3.334 -2.357 3.864
211 2HB LEU 30 HB1 LEU 30 -4.866 -3.230 3.747
212 HG LEU 30 HG LEU 30 -2.106 -4.394 3.303
213 1HD1 LEU 30 HD11 LEU 30 -2.621 -3.904 5.654
214 2HD1 LEU 30 HD12 LEU 30 -2.559 -5.631 5.325
215 3HD1 LEU 30 HD13 LEU 30 -4.122 -4.839 5.517
216 1HD2 LEU 30 HD21 LEU 30 -4.865 -5.632 3.078
217 2HD2 LEU 30 HD22 LEU 30 -3.378 -6.553 3.269
218 3HD2 LEU 30 HD23 LEU 30 -3.602 -5.568 1.843
219 H VAL 31 HN VAL 31 -6.387 -2.819 1.909
220 HA VAL 31 HA VAL 31 -6.885 -0.176 0.838
221 HB VAL 31 HB VAL 31 -9.287 -0.752 1.088
222 1HG1 VAL 31 HG11 VAL 31 -9.310 -2.587 -0.529
223 2HG1 VAL 31 HG12 VAL 31 -7.588 -2.853 -0.274
224 3HG1 VAL 31 HG13 VAL 31 -8.164 -1.334 -0.970
225 1HG2 VAL 31 HG21 VAL 31 -9.281 -2.158 3.068
226 2HG2 VAL 31 HG22 VAL 31 -8.218 -3.330 2.297
227 3HG2 VAL 31 HG23 VAL 31 -9.851 -3.092 1.708
228 H GLN 32 HN GLN 32 -6.831 1.542 1.925
229 HA GLN 32 HA GLN 32 -6.919 1.621 4.816
230 1HB GLN 32 HB2 GLN 32 -6.861 3.747 2.679
231 2HB GLN 32 HB1 GLN 32 -7.049 4.153 4.371
232 1HG GLN 32 HG2 GLN 32 -4.903 2.943 4.823
233 2HG GLN 32 HG1 GLN 32 -4.699 2.785 3.072
234 1HE2 GLN 32 HE21 GLN 32 -3.160 4.262 5.160
235 2HE2 GLN 32 HE22 GLN 32 -3.037 5.853 4.534
236 H VAL 33 HN VAL 33 -8.836 0.561 5.139
237 HA VAL 33 HA VAL 33 -11.356 1.946 4.587
238 HB VAL 33 HB VAL 33 -12.352 0.234 6.133
239 1HG1 VAL 33 HG11 VAL 33 -12.070 -1.647 4.615
240 2HG1 VAL 33 HG12 VAL 33 -10.701 -0.850 3.848
241 3HG1 VAL 33 HG13 VAL 33 -12.318 -0.142 3.734
242 1HG2 VAL 33 HG21 VAL 33 -10.362 -0.224 7.557
243 2HG2 VAL 33 HG22 VAL 33 -9.552 -0.946 6.166
244 3HG2 VAL 33 HG23 VAL 33 -11.010 -1.668 6.812
245 1HG HSL 34 HG1 HSL 34 -8.466 7.517 6.999
246 2HG HSL 34 HG2 HSL 34 -8.575 6.886 8.656
247 H HSL 34 HN HSL 34 -10.219 3.869 5.384
248 HA HSL 34 HA HSL 34 -10.208 4.126 8.044
249 1HB HSL 34 HB1 HSL 34 -8.091 4.887 7.765
250 2HB HSL 34 HB2 HSL 34 -8.404 5.459 6.122
Start of MODEL 24
1 1H ALA 1 HT1 ALA 1 2.003 5.278 -13.223
2 2H ALA 1 HT2 ALA 1 2.854 4.293 -12.144
3 3H ALA 1 HT3 ALA 1 2.221 5.788 -11.628
4 HA ALA 1 HA ALA 1 -0.033 5.009 -12.023
5 1HB ALA 1 HB1 ALA 1 1.291 2.362 -12.680
6 2HB ALA 1 HB2 ALA 1 0.499 3.452 -13.812
7 3HB ALA 1 HB3 ALA 1 -0.456 2.655 -12.567
8 H CYS 2 HN CYS 2 -1.178 4.283 -10.337
9 HA CYS 2 HA CYS 2 0.343 4.009 -7.881
10 1HB CYS 2 HB2 CYS 2 -1.695 4.370 -6.794
11 2HB CYS 2 HB1 CYS 2 -1.704 5.440 -8.136
12 H GLY 3 HN GLY 3 0.438 2.255 -6.620
13 1HA GLY 3 HA2 GLY 3 -0.160 -0.328 -7.477
14 2HA GLY 3 HA1 GLY 3 0.273 0.151 -5.844
15 H ILE 4 HN ILE 4 -1.630 -1.814 -6.566
16 HA ILE 4 HA ILE 4 -4.270 -0.561 -5.994
17 HB ILE 4 HB ILE 4 -5.227 -2.740 -6.777
18 1HG1 ILE 4 HG12 ILE 4 -2.366 -3.294 -7.614
19 2HG1 ILE 4 HG11 ILE 4 -3.229 -4.166 -6.345
20 1HG2 ILE 4 HG21 ILE 4 -3.497 -1.333 -8.815
21 2HG2 ILE 4 HG22 ILE 4 -5.063 -0.764 -8.220
22 3HG2 ILE 4 HG23 ILE 4 -4.968 -2.274 -9.105
23 1HD1 ILE 4 HD11 ILE 4 -4.855 -4.913 -8.059
24 2HD1 ILE 4 HD12 ILE 4 -3.199 -5.462 -8.293
25 3HD1 ILE 4 HD13 ILE 4 -3.827 -4.153 -9.285
26 H LEU 5 HN LEU 5 -5.750 -1.964 -4.956
27 HA LEU 5 HA LEU 5 -5.278 -1.905 -2.274
28 1HB LEU 5 HB2 LEU 5 -7.440 -2.919 -1.996
29 2HB LEU 5 HB1 LEU 5 -7.473 -1.771 -3.318
30 HG LEU 5 HG LEU 5 -7.159 -4.737 -3.835
31 1HD1 LEU 5 HD11 LEU 5 -9.166 -4.452 -2.492
32 2HD1 LEU 5 HD12 LEU 5 -9.505 -4.911 -4.156
33 3HD1 LEU 5 HD13 LEU 5 -9.751 -3.241 -3.647
34 1HD2 LEU 5 HD21 LEU 5 -7.877 -2.333 -5.499
35 2HD2 LEU 5 HD22 LEU 5 -8.367 -3.964 -5.957
36 3HD2 LEU 5 HD23 LEU 5 -6.670 -3.591 -5.778
37 H HIS 6 HN HIS 6 -4.184 -4.359 -4.293
38 HA HIS 6 HA HIS 6 -3.270 -5.849 -1.965
39 1HB HIS 6 HB2 HIS 6 -4.029 -8.007 -2.866
40 2HB HIS 6 HB1 HIS 6 -5.367 -6.944 -2.461
41 HD1 HIS 6 HD1 HIS 6 -3.445 -8.079 -5.547
42 HD2 HIS 6 HD2 HIS 6 -7.188 -6.662 -4.442
43 HE1 HIS 6 HE1 HIS 6 -4.821 -8.118 -7.630
44 HE2 HIS 6 HE2 HIS 6 -7.051 -7.155 -6.970
45 H ASP 7 HN ASP 7 -1.799 -4.207 -3.384
46 HA ASP 7 HA ASP 7 -0.222 -5.974 -5.181
47 1HB ASP 7 HB2 ASP 7 -0.880 -3.538 -5.750
48 2HB ASP 7 HB1 ASP 7 0.389 -3.044 -4.646
49 H ASN 8 HN ASN 8 2.253 -5.113 -4.865
50 HA ASN 8 HA ASN 8 2.925 -5.984 -2.135
51 1HB ASN 8 HB2 ASN 8 3.534 -7.576 -3.859
52 2HB ASN 8 HB1 ASN 8 4.378 -6.347 -4.791
53 1HD2 ASN 8 HD21 ASN 8 6.437 -5.644 -4.079
54 2HD2 ASN 8 HD22 ASN 8 7.301 -6.521 -2.867
55 H CYS 9 HN CYS 9 4.133 -4.780 -0.926
56 HA CYS 9 HA CYS 9 6.073 -2.912 -1.773
57 1HB CYS 9 HB2 CYS 9 4.849 -0.797 -1.135
58 2HB CYS 9 HB1 CYS 9 4.274 -1.535 -2.609
59 H VAL 10 HN VAL 10 7.105 -1.931 -0.183
60 HA VAL 10 HA VAL 10 6.751 -3.022 2.521
61 HB VAL 10 HB VAL 10 9.005 -2.880 1.500
62 1HG1 VAL 10 HG11 VAL 10 10.111 -0.844 1.095
63 2HG1 VAL 10 HG12 VAL 10 8.820 0.129 1.771
64 3HG1 VAL 10 HG13 VAL 10 8.586 -0.721 0.238
65 1HG2 VAL 10 HG21 VAL 10 10.146 -2.073 3.414
66 2HG2 VAL 10 HG22 VAL 10 8.656 -2.805 3.991
67 3HG2 VAL 10 HG23 VAL 10 8.810 -1.042 3.902
68 H TYR 11 HN TYR 11 6.625 -1.716 4.339
69 HA TYR 11 HA TYR 11 4.693 0.391 4.086
70 1HB TYR 11 HB2 TYR 11 5.040 -1.313 6.007
71 2HB TYR 11 HB1 TYR 11 6.252 -0.205 6.624
72 HD1 TYR 11 HD1 TYR 11 5.280 2.416 6.554
73 HD2 TYR 11 HD2 TYR 11 2.990 -1.142 7.113
74 HE1 TYR 11 HE1 TYR 11 3.550 3.714 7.647
75 HE2 TYR 11 HE2 TYR 11 1.206 0.175 8.126
76 HH TYR 11 HH TYR 11 1.368 2.592 9.556
77 H VAL 12 HN VAL 12 5.917 1.675 2.641
78 HA VAL 12 HA VAL 12 7.518 3.650 4.154
79 HB VAL 12 HB VAL 12 9.051 2.513 2.694
80 1HG1 VAL 12 HG11 VAL 12 7.303 1.785 0.994
81 2HG1 VAL 12 HG12 VAL 12 8.842 2.337 0.374
82 3HG1 VAL 12 HG13 VAL 12 7.451 3.398 0.292
83 1HG2 VAL 12 HG21 VAL 12 9.119 5.055 3.066
84 2HG2 VAL 12 HG22 VAL 12 8.512 5.181 1.413
85 3HG2 VAL 12 HG23 VAL 12 10.034 4.383 1.726
86 HA PRO 13 HA PRO 13 3.671 5.670 2.916
87 1HB PRO 13 HB2 PRO 13 4.049 7.822 4.606
88 2HB PRO 13 HB1 PRO 13 3.352 6.273 5.076
89 1HG PRO 13 HG2 PRO 13 6.146 7.263 5.455
90 2HG PRO 13 HG1 PRO 13 5.096 6.370 6.572
91 1HD PRO 13 HD2 PRO 13 7.060 5.203 5.198
92 2HD PRO 13 HD1 PRO 13 5.560 4.332 5.594
93 H ALA 14 HN ALA 14 6.821 7.186 3.330
94 HA ALA 14 HA ALA 14 6.412 9.583 1.973
95 1HB ALA 14 HB1 ALA 14 8.348 9.097 3.360
96 2HB ALA 14 HB2 ALA 14 8.840 9.688 1.777
97 3HB ALA 14 HB3 ALA 14 8.964 7.960 2.165
98 H GLN 15 HN GLN 15 7.146 6.378 0.842
99 HA GLN 15 HA GLN 15 6.737 7.283 -1.954
100 1HB GLN 15 HB2 GLN 15 8.775 5.382 -0.773
101 2HB GLN 15 HB1 GLN 15 8.319 5.243 -2.470
102 1HG GLN 15 HG2 GLN 15 9.503 7.708 -1.154
103 2HG GLN 15 HG1 GLN 15 10.377 6.512 -2.108
104 1HE2 GLN 15 HE21 GLN 15 10.126 6.457 -4.361
105 2HE2 GLN 15 HE22 GLN 15 9.345 7.750 -5.198
106 H ASN 16 HN ASN 16 4.668 6.676 -0.459
107 HA ASN 16 HA ASN 16 3.814 3.978 -0.764
108 1HB ASN 16 HB2 ASN 16 2.716 5.550 0.762
109 2HB ASN 16 HB1 ASN 16 2.125 6.508 -0.588
110 1HD2 ASN 16 HD21 ASN 16 0.581 5.181 1.498
111 2HD2 ASN 16 HD22 ASN 16 -0.439 4.054 0.679
112 HA PRO 17 HA PRO 17 3.658 4.487 -5.222
113 1HB PRO 17 HB2 PRO 17 3.617 1.865 -5.828
114 2HB PRO 17 HB1 PRO 17 5.050 2.662 -5.177
115 1HG PRO 17 HG2 PRO 17 3.052 0.952 -3.745
116 2HG PRO 17 HG1 PRO 17 4.822 0.962 -3.636
117 1HD PRO 17 HD2 PRO 17 3.151 2.217 -1.865
118 2HD PRO 17 HD1 PRO 17 4.841 2.634 -2.128
119 H CYS 18 HN CYS 18 1.366 3.109 -3.104
120 HA CYS 18 HA CYS 18 -0.520 2.289 -5.067
121 1HB CYS 18 HB2 CYS 18 -0.711 2.468 -2.079
122 2HB CYS 18 HB1 CYS 18 -1.951 1.816 -3.142
123 H CYS 19 HN CYS 19 -2.635 2.967 -5.199
124 HA CYS 19 HA CYS 19 -2.955 5.757 -5.516
125 1HB CYS 19 HB2 CYS 19 -4.703 3.377 -5.642
126 2HB CYS 19 HB1 CYS 19 -5.557 4.856 -5.228
127 H ARG 20 HN ARG 20 -4.111 7.229 -4.431
128 HA ARG 20 HA ARG 20 -3.454 7.248 -1.634
129 1HB ARG 20 HB2 ARG 20 -4.999 9.187 -3.386
130 2HB ARG 20 HB1 ARG 20 -4.592 9.504 -1.684
131 1HG ARG 20 HG2 ARG 20 -2.237 9.425 -2.166
132 2HG ARG 20 HG1 ARG 20 -2.539 8.925 -3.838
133 1HD ARG 20 HD2 ARG 20 -3.670 11.060 -4.249
134 2HD ARG 20 HD1 ARG 20 -3.340 11.557 -2.592
135 HE ARG 20 HE ARG 20 -0.933 11.383 -3.096
136 1HH1 ARG 20 HH11 ARG 20 -3.207 11.847 -5.758
137 2HH1 ARG 20 HH12 ARG 20 -2.028 12.589 -6.752
138 1HH2 ARG 20 HH21 ARG 20 0.588 12.348 -4.463
139 2HH2 ARG 20 HH22 ARG 20 0.119 12.882 -6.043
140 H GLY 21 HN GLY 21 -4.468 6.401 -0.124
141 1HA GLY 21 HA2 GLY 21 -6.596 6.176 1.068
142 2HA GLY 21 HA1 GLY 21 -7.364 5.713 -0.445
143 H LEU 22 HN LEU 22 -4.439 4.428 -0.771
144 HA LEU 22 HA LEU 22 -5.202 1.851 0.503
145 1HB LEU 22 HB2 LEU 22 -3.292 2.377 -1.767
146 2HB LEU 22 HB1 LEU 22 -3.808 0.796 -1.189
147 HG LEU 22 HG LEU 22 -5.534 2.867 -2.580
148 1HD1 LEU 22 HD11 LEU 22 -4.051 1.874 -4.142
149 2HD1 LEU 22 HD12 LEU 22 -5.627 1.134 -4.357
150 3HD1 LEU 22 HD13 LEU 22 -4.357 0.265 -3.510
151 1HD2 LEU 22 HD21 LEU 22 -6.857 1.569 -0.954
152 2HD2 LEU 22 HD22 LEU 22 -6.219 0.070 -1.663
153 3HD2 LEU 22 HD23 LEU 22 -7.237 1.135 -2.611
154 H GLN 23 HN GLN 23 -3.783 0.743 1.650
155 HA GLN 23 HA GLN 23 -1.508 2.336 2.724
156 1HB GLN 23 HB2 GLN 23 -3.201 2.061 4.357
157 2HB GLN 23 HB1 GLN 23 -3.349 0.344 4.059
158 1HG GLN 23 HG2 GLN 23 -1.071 -0.004 4.956
159 2HG GLN 23 HG1 GLN 23 -0.913 1.737 5.217
160 1HE2 GLN 23 HE21 GLN 23 -1.982 2.680 6.956
161 2HE2 GLN 23 HE22 GLN 23 -2.705 1.710 8.190
162 H CYS 24 HN CYS 24 0.369 1.647 2.364
163 HA CYS 24 HA CYS 24 0.901 -1.125 1.536
164 1HB CYS 24 HB2 CYS 24 2.461 1.422 1.579
165 2HB CYS 24 HB1 CYS 24 3.347 -0.103 1.575
166 H ARG 25 HN ARG 25 0.654 -2.414 3.167
167 HA ARG 25 HA ARG 25 2.075 -1.892 5.690
168 1HB ARG 25 HB2 ARG 25 0.078 -3.912 4.757
169 2HB ARG 25 HB1 ARG 25 1.088 -4.264 6.168
170 1HG ARG 25 HG2 ARG 25 0.233 -2.232 7.280
171 2HG ARG 25 HG1 ARG 25 -0.788 -1.902 5.871
172 1HD ARG 25 HD2 ARG 25 -1.925 -3.001 7.787
173 2HD ARG 25 HD1 ARG 25 -2.073 -3.826 6.253
174 HE ARG 25 HE ARG 25 0.130 -4.864 7.764
175 1HH1 ARG 25 HH11 ARG 25 -3.380 -4.897 7.722
176 2HH1 ARG 25 HH12 ARG 25 -3.459 -6.479 8.392
177 1HH2 ARG 25 HH21 ARG 25 -0.011 -6.941 8.602
178 2HH2 ARG 25 HH22 ARG 25 -1.566 -7.644 8.898
179 H TYR 26 HN TYR 26 3.211 -3.782 6.585
180 HA TYR 26 HA TYR 26 5.609 -4.008 5.168
181 1HB TYR 26 HB2 TYR 26 4.510 -5.666 7.457
182 2HB TYR 26 HB1 TYR 26 6.168 -5.812 6.862
183 HD1 TYR 26 HD1 TYR 26 7.838 -4.177 7.427
184 HD2 TYR 26 HD2 TYR 26 3.754 -3.548 8.547
185 HE1 TYR 26 HE1 TYR 26 8.512 -2.344 8.897
186 HE2 TYR 26 HE2 TYR 26 4.443 -1.720 10.015
187 HH TYR 26 HH TYR 26 6.828 -1.147 11.291
188 H GLY 27 HN GLY 27 5.232 -4.649 3.131
189 1HA GLY 27 HA2 GLY 27 5.917 -6.591 1.881
190 2HA GLY 27 HA1 GLY 27 4.806 -7.588 2.797
191 H LYS 28 HN LYS 28 2.630 -5.596 2.692
192 HA LYS 28 HA LYS 28 1.924 -5.846 -0.164
193 1HB LYS 28 HB2 LYS 28 -0.161 -6.994 0.361
194 2HB LYS 28 HB1 LYS 28 1.253 -7.925 0.852
195 1HG LYS 28 HG2 LYS 28 0.939 -7.469 3.140
196 2HG LYS 28 HG1 LYS 28 -0.293 -6.229 2.831
197 1HD LYS 28 HD2 LYS 28 -1.814 -7.926 1.942
198 2HD LYS 28 HD1 LYS 28 -0.591 -9.183 2.203
199 1HE LYS 28 HE2 LYS 28 -1.751 -7.467 4.414
200 2HE LYS 28 HE1 LYS 28 -2.358 -9.047 3.935
201 1HZ LYS 28 HZ1 LYS 28 0.322 -8.445 5.066
202 2HZ LYS 28 HZ2 LYS 28 -0.091 -9.955 4.398
203 3HZ LYS 28 HZ3 LYS 28 -0.922 -9.362 5.741
204 H CYS 29 HN CYS 29 0.413 -4.656 -0.893
205 HA CYS 29 HA CYS 29 -0.432 -2.322 0.655
206 1HB CYS 29 HB2 CYS 29 0.597 -2.092 -1.610
207 2HB CYS 29 HB1 CYS 29 -0.756 -2.891 -2.300
208 H LEU 30 HN LEU 30 -2.445 -1.993 1.220
209 HA LEU 30 HA LEU 30 -4.584 -3.660 0.132
210 1HB LEU 30 HB2 LEU 30 -5.453 -4.077 2.437
211 2HB LEU 30 HB1 LEU 30 -4.002 -4.933 1.971
212 HG LEU 30 HG LEU 30 -2.669 -3.138 3.236
213 1HD1 LEU 30 HD11 LEU 30 -4.071 -2.150 5.136
214 2HD1 LEU 30 HD12 LEU 30 -5.476 -2.426 4.110
215 3HD1 LEU 30 HD13 LEU 30 -4.163 -1.381 3.576
216 1HD2 LEU 30 HD21 LEU 30 -3.820 -4.262 5.476
217 2HD2 LEU 30 HD22 LEU 30 -2.533 -4.948 4.494
218 3HD2 LEU 30 HD23 LEU 30 -4.200 -5.432 4.220
219 H VAL 31 HN VAL 31 -6.627 -2.939 0.470
220 HA VAL 31 HA VAL 31 -6.876 -0.100 0.276
221 HB VAL 31 HB VAL 31 -8.422 -1.512 -0.940
222 1HG1 VAL 31 HG11 VAL 31 -9.659 -2.349 1.676
223 2HG1 VAL 31 HG12 VAL 31 -8.534 -3.365 0.766
224 3HG1 VAL 31 HG13 VAL 31 -10.059 -2.880 0.053
225 1HG2 VAL 31 HG21 VAL 31 -9.112 0.783 -0.159
226 2HG2 VAL 31 HG22 VAL 31 -10.035 -0.030 1.117
227 3HG2 VAL 31 HG23 VAL 31 -10.400 -0.338 -0.572
228 H GLN 32 HN GLN 32 -6.952 1.300 1.738
229 HA GLN 32 HA GLN 32 -7.250 0.470 4.542
230 1HB GLN 32 HB2 GLN 32 -5.387 1.910 3.841
231 2HB GLN 32 HB1 GLN 32 -6.507 3.168 3.353
232 1HG GLN 32 HG2 GLN 32 -7.307 3.349 5.690
233 2HG GLN 32 HG1 GLN 32 -6.163 2.084 6.163
234 1HE2 GLN 32 HE21 GLN 32 -6.423 4.865 7.060
235 2HE2 GLN 32 HE22 GLN 32 -4.881 5.572 6.733
236 H VAL 33 HN VAL 33 -8.928 0.799 5.663
237 HA VAL 33 HA VAL 33 -11.362 1.797 4.430
238 HB VAL 33 HB VAL 33 -12.461 1.158 6.552
239 1HG1 VAL 33 HG11 VAL 33 -12.117 -1.223 6.379
240 2HG1 VAL 33 HG12 VAL 33 -10.623 -0.990 5.476
241 3HG1 VAL 33 HG13 VAL 33 -12.176 -0.502 4.774
242 1HG2 VAL 33 HG21 VAL 33 -9.647 0.471 7.472
243 2HG2 VAL 33 HG22 VAL 33 -11.123 -0.076 8.244
244 3HG2 VAL 33 HG23 VAL 33 -10.760 1.635 8.203
245 1HG HSL 34 HG1 HSL 34 -12.164 7.822 3.739
246 2HG HSL 34 HG2 HSL 34 -11.336 8.389 5.205
247 H HSL 34 HN HSL 34 -12.311 3.623 4.702
248 HA HSL 34 HA HSL 34 -11.278 5.582 6.873
249 1HB HSL 34 HB1 HSL 34 -11.288 5.772 3.925
250 2HB HSL 34 HB2 HSL 34 -10.174 6.474 5.104
Start of MODEL 25
1 1H ALA 1 HT1 ALA 1 1.342 3.917 -13.753
2 2H ALA 1 HT2 ALA 1 2.467 3.329 -12.636
3 3H ALA 1 HT3 ALA 1 1.650 4.795 -12.344
4 HA ALA 1 HA ALA 1 -0.466 3.635 -12.238
5 1HB ALA 1 HB1 ALA 1 1.207 1.122 -12.537
6 2HB ALA 1 HB2 ALA 1 0.112 1.806 -13.733
7 3HB ALA 1 HB3 ALA 1 -0.539 1.179 -12.223
8 H CYS 2 HN CYS 2 -1.196 3.469 -10.271
9 HA CYS 2 HA CYS 2 0.781 3.530 -8.091
10 1HB CYS 2 HB2 CYS 2 -1.185 4.293 -6.743
11 2HB CYS 2 HB1 CYS 2 -0.718 5.344 -8.035
12 H GLY 3 HN GLY 3 0.626 2.289 -6.309
13 1HA GLY 3 HA2 GLY 3 0.082 -0.419 -6.643
14 2HA GLY 3 HA1 GLY 3 0.448 0.386 -5.126
15 H ILE 4 HN ILE 4 -1.422 -1.745 -5.746
16 HA ILE 4 HA ILE 4 -3.971 -0.549 -4.814
17 HB ILE 4 HB ILE 4 -5.152 -2.305 -6.181
18 1HG1 ILE 4 HG12 ILE 4 -2.388 -2.652 -7.409
19 2HG1 ILE 4 HG11 ILE 4 -3.299 -3.885 -6.534
20 1HG2 ILE 4 HG21 ILE 4 -4.959 0.055 -6.874
21 2HG2 ILE 4 HG22 ILE 4 -5.094 -1.063 -8.217
22 3HG2 ILE 4 HG23 ILE 4 -3.521 -0.351 -7.822
23 1HD1 ILE 4 HD11 ILE 4 -3.905 -2.698 -9.220
24 2HD1 ILE 4 HD12 ILE 4 -5.041 -3.724 -8.332
25 3HD1 ILE 4 HD13 ILE 4 -3.467 -4.352 -8.809
26 H LEU 5 HN LEU 5 -5.472 -2.294 -4.130
27 HA LEU 5 HA LEU 5 -4.451 -3.180 -1.670
28 1HB LEU 5 HB2 LEU 5 -6.657 -4.010 -1.224
29 2HB LEU 5 HB1 LEU 5 -6.739 -2.488 -2.080
30 HG LEU 5 HG LEU 5 -6.949 -4.122 -4.210
31 1HD1 LEU 5 HD11 LEU 5 -6.888 -6.239 -3.111
32 2HD1 LEU 5 HD12 LEU 5 -8.554 -5.942 -3.536
33 3HD1 LEU 5 HD13 LEU 5 -8.029 -5.714 -1.872
34 1HD2 LEU 5 HD21 LEU 5 -9.255 -3.370 -2.420
35 2HD2 LEU 5 HD22 LEU 5 -9.320 -3.780 -4.134
36 3HD2 LEU 5 HD23 LEU 5 -8.485 -2.318 -3.622
37 H HIS 6 HN HIS 6 -4.092 -4.637 -4.649
38 HA HIS 6 HA HIS 6 -3.153 -7.090 -3.320
39 1HB HIS 6 HB2 HIS 6 -3.964 -8.374 -5.363
40 2HB HIS 6 HB1 HIS 6 -5.197 -7.808 -4.254
41 HD1 HIS 6 HD1 HIS 6 -4.157 -7.610 -7.784
42 HD2 HIS 6 HD2 HIS 6 -6.809 -5.722 -5.263
43 HE1 HIS 6 HE1 HIS 6 -5.748 -6.363 -9.268
44 HE2 HIS 6 HE2 HIS 6 -7.381 -5.262 -7.701
45 H ASP 7 HN ASP 7 -1.679 -4.955 -3.743
46 HA ASP 7 HA ASP 7 0.278 -6.102 -5.664
47 1HB ASP 7 HB2 ASP 7 -0.718 -4.076 -6.680
48 2HB ASP 7 HB1 ASP 7 -0.299 -3.133 -5.257
49 H ASN 8 HN ASN 8 2.153 -6.451 -4.814
50 HA ASN 8 HA ASN 8 2.504 -6.140 -2.008
51 1HB ASN 8 HB2 ASN 8 4.309 -7.182 -4.154
52 2HB ASN 8 HB1 ASN 8 4.820 -7.097 -2.463
53 1HD2 ASN 8 HD21 ASN 8 2.726 -8.697 -4.764
54 2HD2 ASN 8 HD22 ASN 8 2.283 -9.984 -3.701
55 H CYS 9 HN CYS 9 4.211 -5.060 -0.921
56 HA CYS 9 HA CYS 9 5.405 -2.765 -2.143
57 1HB CYS 9 HB2 CYS 9 3.048 -2.006 -2.106
58 2HB CYS 9 HB1 CYS 9 2.971 -2.268 -0.368
59 H VAL 10 HN VAL 10 6.526 -1.462 -0.737
60 HA VAL 10 HA VAL 10 7.458 -2.855 1.682
61 HB VAL 10 HB VAL 10 8.587 -0.416 0.251
62 1HG1 VAL 10 HG11 VAL 10 9.353 -0.356 2.513
63 2HG1 VAL 10 HG12 VAL 10 10.647 -1.055 1.560
64 3HG1 VAL 10 HG13 VAL 10 9.633 -2.104 2.545
65 1HG2 VAL 10 HG21 VAL 10 10.269 -1.913 -0.616
66 2HG2 VAL 10 HG22 VAL 10 8.674 -2.419 -1.159
67 3HG2 VAL 10 HG23 VAL 10 9.492 -3.301 0.144
68 H TYR 11 HN TYR 11 7.681 -1.837 3.562
69 HA TYR 11 HA TYR 11 5.512 -0.186 4.427
70 1HB TYR 11 HB2 TYR 11 6.780 -0.283 6.662
71 2HB TYR 11 HB1 TYR 11 6.230 -1.795 5.960
72 HD1 TYR 11 HD1 TYR 11 9.170 0.157 6.919
73 HD2 TYR 11 HD2 TYR 11 7.834 -3.379 4.907
74 HE1 TYR 11 HE1 TYR 11 11.438 -0.760 7.004
75 HE2 TYR 11 HE2 TYR 11 10.102 -4.277 4.996
76 HH TYR 11 HH TYR 11 12.582 -3.047 5.166
77 H VAL 12 HN VAL 12 6.102 1.461 2.792
78 HA VAL 12 HA VAL 12 7.579 3.611 4.157
79 HB VAL 12 HB VAL 12 9.182 2.760 2.567
80 1HG1 VAL 12 HG11 VAL 12 7.481 1.735 0.987
81 2HG1 VAL 12 HG12 VAL 12 8.845 2.568 0.261
82 3HG1 VAL 12 HG13 VAL 12 7.279 3.352 0.300
83 1HG2 VAL 12 HG21 VAL 12 8.064 5.316 1.408
84 2HG2 VAL 12 HG22 VAL 12 9.731 4.774 1.509
85 3HG2 VAL 12 HG23 VAL 12 8.889 5.253 2.975
86 HA PRO 13 HA PRO 13 3.321 4.854 2.964
87 1HB PRO 13 HB2 PRO 13 3.572 6.368 5.496
88 2HB PRO 13 HB1 PRO 13 2.342 5.221 4.958
89 1HG PRO 13 HG2 PRO 13 4.124 4.618 6.864
90 2HG PRO 13 HG1 PRO 13 3.514 3.394 5.734
91 1HD PRO 13 HD2 PRO 13 6.132 4.877 5.716
92 2HD PRO 13 HD1 PRO 13 5.759 3.169 5.424
93 H ALA 14 HN ALA 14 6.096 6.581 4.171
94 HA ALA 14 HA ALA 14 5.484 9.206 3.848
95 1HB ALA 14 HB1 ALA 14 7.566 8.367 4.782
96 2HB ALA 14 HB2 ALA 14 7.876 9.611 3.578
97 3HB ALA 14 HB3 ALA 14 8.137 7.900 3.184
98 H GLN 15 HN GLN 15 6.573 6.929 1.411
99 HA GLN 15 HA GLN 15 5.270 8.613 -0.625
100 1HB GLN 15 HB2 GLN 15 7.707 9.081 -0.751
101 2HB GLN 15 HB1 GLN 15 8.050 7.365 -0.892
102 1HG GLN 15 HG2 GLN 15 8.144 8.597 -3.027
103 2HG GLN 15 HG1 GLN 15 7.013 7.264 -3.077
104 1HE2 GLN 15 HE21 GLN 15 7.408 10.724 -3.136
105 2HE2 GLN 15 HE22 GLN 15 5.774 11.080 -3.567
106 H ASN 16 HN ASN 16 3.887 6.889 0.358
107 HA ASN 16 HA ASN 16 4.087 4.244 -0.562
108 1HB ASN 16 HB2 ASN 16 1.548 4.183 -0.217
109 2HB ASN 16 HB1 ASN 16 2.572 4.541 1.149
110 1HD2 ASN 16 HD21 ASN 16 1.813 6.994 -1.321
111 2HD2 ASN 16 HD22 ASN 16 0.858 7.904 -0.266
112 HA PRO 17 HA PRO 17 3.555 5.027 -4.898
113 1HB PRO 17 HB2 PRO 17 3.683 2.451 -5.692
114 2HB PRO 17 HB1 PRO 17 5.081 3.293 -5.014
115 1HG PRO 17 HG2 PRO 17 3.144 1.473 -3.584
116 2HG PRO 17 HG1 PRO 17 4.919 1.407 -3.640
117 1HD PRO 17 HD2 PRO 17 3.650 2.534 -1.618
118 2HD PRO 17 HD1 PRO 17 5.183 3.203 -2.194
119 H CYS 18 HN CYS 18 1.397 3.679 -2.772
120 HA CYS 18 HA CYS 18 -0.443 2.506 -4.560
121 1HB CYS 18 HB2 CYS 18 -0.628 3.178 -1.631
122 2HB CYS 18 HB1 CYS 18 -1.795 2.262 -2.561
123 H CYS 19 HN CYS 19 -2.477 3.066 -4.944
124 HA CYS 19 HA CYS 19 -2.938 5.777 -5.685
125 1HB CYS 19 HB2 CYS 19 -5.117 3.706 -5.243
126 2HB CYS 19 HB1 CYS 19 -5.082 5.052 -6.383
127 H ARG 20 HN ARG 20 -4.181 7.303 -4.799
128 HA ARG 20 HA ARG 20 -4.079 7.645 -1.995
129 1HB ARG 20 HB2 ARG 20 -5.935 9.010 -3.980
130 2HB ARG 20 HB1 ARG 20 -5.577 9.576 -2.334
131 1HG ARG 20 HG2 ARG 20 -3.256 9.957 -2.927
132 2HG ARG 20 HG1 ARG 20 -3.523 9.305 -4.550
133 1HD ARG 20 HD2 ARG 20 -4.676 11.810 -3.342
134 2HD ARG 20 HD1 ARG 20 -3.536 11.670 -4.685
135 HE ARG 20 HE ARG 20 -5.602 10.305 -5.698
136 1HH1 ARG 20 HH11 ARG 20 -5.431 13.489 -4.194
137 2HH1 ARG 20 HH12 ARG 20 -6.857 14.033 -4.979
138 1HH2 ARG 20 HH21 ARG 20 -7.490 11.047 -6.671
139 2HH2 ARG 20 HH22 ARG 20 -8.031 12.669 -6.392
140 H GLY 21 HN GLY 21 -5.053 6.571 -0.556
141 1HA GLY 21 HA2 GLY 21 -7.275 6.065 0.412
142 2HA GLY 21 HA1 GLY 21 -7.723 5.345 -1.127
143 H LEU 22 HN LEU 22 -4.782 4.429 -1.257
144 HA LEU 22 HA LEU 22 -5.164 1.939 0.314
145 1HB LEU 22 HB2 LEU 22 -3.440 2.659 -2.048
146 2HB LEU 22 HB1 LEU 22 -3.251 1.163 -1.176
147 HG LEU 22 HG LEU 22 -4.462 0.794 -3.210
148 1HD1 LEU 22 HD11 LEU 22 -5.088 -0.510 -1.193
149 2HD1 LEU 22 HD12 LEU 22 -6.370 -0.333 -2.373
150 3HD1 LEU 22 HD13 LEU 22 -6.409 0.634 -0.912
151 1HD2 LEU 22 HD21 LEU 22 -6.659 2.603 -2.247
152 2HD2 LEU 22 HD22 LEU 22 -6.432 1.870 -3.820
153 3HD2 LEU 22 HD23 LEU 22 -5.387 3.163 -3.312
154 H GLN 23 HN GLN 23 -3.272 0.985 1.218
155 HA GLN 23 HA GLN 23 -1.054 2.777 1.913
156 1HB GLN 23 HB2 GLN 23 -2.705 3.209 3.664
157 2HB GLN 23 HB1 GLN 23 -2.868 1.481 4.000
158 1HG GLN 23 HG2 GLN 23 -0.428 1.465 4.674
159 2HG GLN 23 HG1 GLN 23 -0.407 3.216 4.427
160 1HE2 GLN 23 HE21 GLN 23 -1.452 4.543 5.931
161 2HE2 GLN 23 HE22 GLN 23 -1.969 3.912 7.454
162 H CYS 24 HN CYS 24 0.763 1.773 2.262
163 HA CYS 24 HA CYS 24 0.907 -1.028 1.527
164 1HB CYS 24 HB2 CYS 24 3.057 0.960 2.221
165 2HB CYS 24 HB1 CYS 24 3.359 -0.708 1.715
166 H ARG 25 HN ARG 25 0.630 -2.545 2.847
167 HA ARG 25 HA ARG 25 1.443 -2.319 5.667
168 1HB ARG 25 HB2 ARG 25 -0.785 -3.343 4.974
169 2HB ARG 25 HB1 ARG 25 0.095 -4.643 4.201
170 1HG ARG 25 HG2 ARG 25 -0.639 -5.388 6.318
171 2HG ARG 25 HG1 ARG 25 1.104 -5.249 6.418
172 1HD ARG 25 HD2 ARG 25 0.898 -3.142 7.598
173 2HD ARG 25 HD1 ARG 25 -0.849 -3.127 7.382
174 HE ARG 25 HE ARG 25 0.768 -4.838 9.167
175 1HH1 ARG 25 HH11 ARG 25 -2.414 -3.861 8.012
176 2HH1 ARG 25 HH12 ARG 25 -3.218 -4.487 9.388
177 1HH2 ARG 25 HH21 ARG 25 -0.351 -5.676 10.981
178 2HH2 ARG 25 HH22 ARG 25 -2.075 -5.525 11.074
179 H TYR 26 HN TYR 26 2.756 -3.951 6.546
180 HA TYR 26 HA TYR 26 5.194 -4.292 5.245
181 1HB TYR 26 HB2 TYR 26 4.000 -5.744 7.621
182 2HB TYR 26 HB1 TYR 26 5.666 -5.993 7.080
183 HD1 TYR 26 HD1 TYR 26 3.302 -3.262 8.123
184 HD2 TYR 26 HD2 TYR 26 7.347 -4.653 7.985
185 HE1 TYR 26 HE1 TYR 26 4.005 -1.350 9.458
186 HE2 TYR 26 HE2 TYR 26 8.053 -2.686 9.255
187 HH TYR 26 HH TYR 26 6.209 -1.032 11.136
188 H GLY 27 HN GLY 27 4.956 -5.064 3.289
189 1HA GLY 27 HA2 GLY 27 5.525 -7.286 2.309
190 2HA GLY 27 HA1 GLY 27 4.012 -7.881 2.971
191 H LYS 28 HN LYS 28 2.366 -5.678 2.444
192 HA LYS 28 HA LYS 28 2.406 -5.134 -0.371
193 1HB LYS 28 HB2 LYS 28 0.423 -6.417 -0.980
194 2HB LYS 28 HB1 LYS 28 1.731 -7.468 -0.444
195 1HG LYS 28 HG2 LYS 28 0.726 -7.769 1.718
196 2HG LYS 28 HG1 LYS 28 -0.563 -6.602 1.345
197 1HD LYS 28 HD2 LYS 28 -1.375 -8.049 -0.457
198 2HD LYS 28 HD1 LYS 28 -0.086 -9.219 -0.114
199 1HE LYS 28 HE2 LYS 28 -2.257 -8.392 1.827
200 2HE LYS 28 HE1 LYS 28 -2.234 -9.855 0.852
201 1HZ LYS 28 HZ1 LYS 28 -0.420 -9.145 3.087
202 2HZ LYS 28 HZ2 LYS 28 -0.042 -10.388 1.989
203 3HZ LYS 28 HZ3 LYS 28 -1.442 -10.476 2.925
204 H CYS 29 HN CYS 29 0.478 -4.211 -1.185
205 HA CYS 29 HA CYS 29 -0.284 -2.079 0.631
206 1HB CYS 29 HB2 CYS 29 0.524 -1.741 -1.708
207 2HB CYS 29 HB1 CYS 29 -0.971 -2.420 -2.288
208 H LEU 30 HN LEU 30 -2.142 -1.783 1.499
209 HA LEU 30 HA LEU 30 -4.473 -3.445 0.680
210 1HB LEU 30 HB2 LEU 30 -3.532 -2.816 3.502
211 2HB LEU 30 HB1 LEU 30 -5.054 -3.611 3.099
212 HG LEU 30 HG LEU 30 -2.290 -4.736 2.566
213 1HD1 LEU 30 HD11 LEU 30 -2.857 -4.659 4.954
214 2HD1 LEU 30 HD12 LEU 30 -2.822 -6.300 4.322
215 3HD1 LEU 30 HD13 LEU 30 -4.373 -5.516 4.619
216 1HD2 LEU 30 HD21 LEU 30 -3.599 -6.818 2.114
217 2HD2 LEU 30 HD22 LEU 30 -3.793 -5.587 0.890
218 3HD2 LEU 30 HD23 LEU 30 -5.069 -5.856 2.084
219 H VAL 31 HN VAL 31 -6.424 -2.626 1.810
220 HA VAL 31 HA VAL 31 -6.728 0.162 1.020
221 HB VAL 31 HB VAL 31 -9.149 -0.210 1.463
222 1HG1 VAL 31 HG11 VAL 31 -7.946 -2.357 -0.257
223 2HG1 VAL 31 HG12 VAL 31 -8.154 -0.678 -0.758
224 3HG1 VAL 31 HG13 VAL 31 -9.551 -1.669 -0.377
225 1HG2 VAL 31 HG21 VAL 31 -8.298 -3.044 2.160
226 2HG2 VAL 31 HG22 VAL 31 -9.938 -2.468 1.939
227 3HG2 VAL 31 HG23 VAL 31 -8.993 -1.869 3.281
228 H GLN 32 HN GLN 32 -7.323 1.794 2.212
229 HA GLN 32 HA GLN 32 -6.720 1.720 5.074
230 1HB GLN 32 HB2 GLN 32 -7.711 3.938 3.241
231 2HB GLN 32 HB1 GLN 32 -7.313 4.149 4.960
232 1HG GLN 32 HG2 GLN 32 -4.987 3.543 4.504
233 2HG GLN 32 HG1 GLN 32 -5.376 3.300 2.797
234 1HE2 GLN 32 HE21 GLN 32 -3.928 4.931 2.131
235 2HE2 GLN 32 HE22 GLN 32 -4.268 6.580 2.380
236 H VAL 33 HN VAL 33 -8.177 0.482 6.002
237 HA VAL 33 HA VAL 33 -11.039 0.776 5.515
238 HB VAL 33 HB VAL 33 -9.663 -0.786 7.736
239 1HG1 VAL 33 HG11 VAL 33 -12.001 -0.504 8.211
240 2HG1 VAL 33 HG12 VAL 33 -11.770 -2.126 7.588
241 3HG1 VAL 33 HG13 VAL 33 -12.450 -0.886 6.541
242 1HG2 VAL 33 HG21 VAL 33 -9.852 -2.731 6.307
243 2HG2 VAL 33 HG22 VAL 33 -8.802 -1.531 5.570
244 3HG2 VAL 33 HG23 VAL 33 -10.458 -1.747 4.977
245 1HG HSL 34 HG1 HSL 34 -12.028 7.159 6.689
246 2HG HSL 34 HG2 HSL 34 -11.436 7.025 8.358
247 H HSL 34 HN HSL 34 -11.027 3.014 5.897
248 HA HSL 34 HA HSL 34 -10.901 3.805 8.450
249 1HB HSL 34 HB1 HSL 34 -10.755 5.451 6.002
250 2HB HSL 34 HB2 HSL 34 -9.895 5.619 7.536