NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
12411 |
1sxm   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 1 HN THR 1 -9.887 -1.965 4.339
2 2H THR 1 HN3 THR 1 -9.696 -2.965 2.980
3 3H THR 1 HN2 THR 1 -10.112 -3.643 4.481
4 HA THR 1 HA THR 1 -8.049 -2.966 5.408
5 HB THR 1 HB THR 1 -6.492 -4.503 4.116
6 HG1 THR 1 HG1 THR 1 -7.404 -4.163 2.052
7 1HG2 THR 1 HG21 THR 1 -8.022 -5.259 5.942
8 2HG2 THR 1 HG22 THR 1 -9.337 -5.540 4.740
9 3HG2 THR 1 HG23 THR 1 -7.821 -6.516 4.669
10 H ILE 2 HN ILE 2 -7.748 -0.740 5.378
11 HA ILE 2 HA ILE 2 -6.115 0.392 3.220
12 HB ILE 2 HB ILE 2 -8.393 1.673 4.846
13 1HG1 ILE 2 HG12 ILE 2 -8.174 0.927 1.865
14 2HG1 ILE 2 HG13 ILE 2 -9.277 0.228 3.083
15 1HG2 ILE 2 HG21 ILE 2 -6.386 2.891 2.833
16 2HG2 ILE 2 HG22 ILE 2 -7.871 3.727 3.425
17 3HG2 ILE 2 HG23 ILE 2 -6.579 3.308 4.574
18 1HD1 ILE 2 HD13 ILE 2 -10.398 2.481 3.356
19 2HD1 ILE 2 HD11 ILE 2 -9.384 3.108 1.997
20 3HD1 ILE 2 HD12 ILE 2 -10.547 1.769 1.706
21 H ILE 3 HN ILE 3 -4.196 1.181 4.017
22 HA ILE 3 HA ILE 3 -3.819 1.379 6.943
23 HB ILE 3 HB ILE 3 -1.533 1.013 6.721
24 1HG1 ILE 3 HG12 ILE 3 -1.959 0.343 3.742
25 2HG1 ILE 3 HG13 ILE 3 -1.256 1.897 4.305
26 1HG2 ILE 3 HG21 ILE 3 -3.226 -0.814 7.103
27 2HG2 ILE 3 HG22 ILE 3 -3.195 -1.186 5.337
28 3HG2 ILE 3 HG23 ILE 3 -1.710 -1.391 6.332
29 1HD1 ILE 3 HD12 ILE 3 0.486 0.676 5.600
30 2HD1 ILE 3 HD13 ILE 3 -0.105 -0.892 4.931
31 3HD1 ILE 3 HD11 ILE 3 0.577 0.342 3.819
32 H ASN 4 HN ASN 4 -1.650 2.981 7.154
33 HA ASN 4 HA ASN 4 -2.336 5.534 5.839
34 1HB ASN 4 HB2 ASN 4 -1.814 5.061 8.849
35 2HB ASN 4 HB3 ASN 4 -1.915 6.679 8.058
36 1HD2 ASN 4 HD22 ASN 4 -5.313 4.852 9.285
37 2HD2 ASN 4 HD21 ASN 4 -3.718 4.358 9.748
38 H VAL 5 HN VAL 5 -0.590 4.882 4.407
39 HA VAL 5 HA VAL 5 1.986 5.817 5.437
40 HB VAL 5 HB VAL 5 1.459 3.339 3.709
41 1HG1 VAL 5 HG12 VAL 5 4.017 5.077 3.707
42 2HG1 VAL 5 HG13 VAL 5 3.993 3.346 3.226
43 3HG1 VAL 5 HG11 VAL 5 3.037 4.509 2.283
44 1HG2 VAL 5 HG23 VAL 5 3.259 3.912 6.152
45 2HG2 VAL 5 HG21 VAL 5 1.726 2.957 6.136
46 3HG2 VAL 5 HG22 VAL 5 3.175 2.347 5.266
47 H LYS 6 HN LYS 6 2.661 7.536 4.300
48 HA LYS 6 HA LYS 6 0.925 8.624 2.328
49 1HB LYS 6 HB2 LYS 6 3.663 9.662 3.289
50 2HB LYS 6 HB3 LYS 6 2.422 10.597 2.379
51 1HG LYS 6 HG2 LYS 6 2.166 9.495 5.247
52 2HG LYS 6 HG3 LYS 6 2.528 11.183 4.755
53 1HD LYS 6 HD2 LYS 6 0.285 11.242 3.535
54 2HD LYS 6 HD3 LYS 6 -0.107 9.660 4.292
55 1HE LYS 6 HE2 LYS 6 0.537 12.304 5.782
56 2HE LYS 6 HE3 LYS 6 -1.098 11.549 5.596
57 1HZ LYS 6 HZ1 LYS 6 1.235 10.353 7.001
58 2HZ LYS 6 HZ2 LYS 6 -0.113 11.090 7.726
59 3HZ LYS 6 HZ3 LYS 6 -0.305 9.655 6.836
60 H CYS 7 HN CYS 7 1.324 8.834 0.044
61 HA CYS 7 HA CYS 7 3.785 7.684 -1.057
62 1HB CYS 7 HB2 CYS 7 2.678 5.999 -2.354
63 2HB CYS 7 HB3 CYS 7 2.200 5.811 -0.606
64 H THR 8 HN THR 8 3.699 7.822 -3.490
65 HA THR 8 HA THR 8 1.973 9.754 -4.679
66 HB THR 8 HB THR 8 3.693 11.233 -3.651
67 HG1 THR 8 HG1 THR 8 3.849 11.075 -6.458
68 1HG2 THR 8 HG23 THR 8 5.632 9.621 -3.665
69 2HG2 THR 8 HG21 THR 8 5.756 9.792 -5.457
70 3HG2 THR 8 HG22 THR 8 6.034 11.214 -4.394
71 H SER 9 HN SER 9 2.658 6.840 -4.638
72 HA SER 9 HA SER 9 2.794 6.274 -7.346
73 1HB SER 9 HB2 SER 9 4.987 5.031 -7.469
74 2HB SER 9 HB3 SER 9 5.230 6.787 -7.166
75 HG SER 9 HG SER 9 5.335 4.804 -5.198
76 HA PRO 10 HA PRO 10 1.260 2.635 -5.036
77 1HB PRO 10 HB2 PRO 10 1.687 1.116 -7.652
78 2HB PRO 10 HB3 PRO 10 0.263 1.155 -6.547
79 1HG PRO 10 HG2 PRO 10 0.282 2.589 -8.887
80 2HG PRO 10 HG3 PRO 10 -0.383 3.337 -7.373
81 1HD PRO 10 HD2 PRO 10 2.438 3.680 -8.564
82 2HD PRO 10 HD3 PRO 10 1.260 4.955 -8.002
83 H LYS 11 HN LYS 11 4.417 2.593 -6.678
84 HA LYS 11 HA LYS 11 5.453 0.288 -5.379
85 1HB LYS 11 HB2 LYS 11 6.921 2.591 -6.768
86 2HB LYS 11 HB3 LYS 11 7.619 0.983 -6.349
87 1HG LYS 11 HG2 LYS 11 5.349 1.525 -8.361
88 2HG LYS 11 HG3 LYS 11 7.066 1.175 -8.735
89 1HD LYS 11 HD2 LYS 11 6.845 -1.087 -7.678
90 2HD LYS 11 HD3 LYS 11 5.106 -0.756 -7.341
91 1HE LYS 11 HE2 LYS 11 4.660 -0.521 -9.804
92 2HE LYS 11 HE3 LYS 11 6.404 -0.870 -10.150
93 1HZ LYS 11 HZ2 LYS 11 4.491 -2.683 -8.772
94 2HZ LYS 11 HZ3 LYS 11 5.029 -2.809 -10.378
95 3HZ LYS 11 HZ1 LYS 11 6.125 -3.011 -9.096
96 H GLN 12 HN GLN 12 4.876 3.505 -4.138
97 HA GLN 12 HA GLN 12 6.840 3.372 -2.039
98 1HB GLN 12 HB2 GLN 12 6.367 5.504 -3.148
99 2HB GLN 12 HB3 GLN 12 4.673 5.363 -2.832
100 1HG GLN 12 HG2 GLN 12 5.832 7.010 -1.339
101 2HG GLN 12 HG3 GLN 12 5.176 5.682 -0.327
102 1HE2 GLN 12 HE21 GLN 12 9.315 5.959 -1.031
103 2HE2 GLN 12 HE22 GLN 12 8.188 6.562 -2.201
104 H CYS 13 HN CYS 13 3.772 2.057 -2.776
105 HA CYS 13 HA CYS 13 2.882 1.847 0.009
106 1HB CYS 13 HB2 CYS 13 1.338 3.049 -1.555
107 2HB CYS 13 HB3 CYS 13 1.425 1.714 -2.724
108 H SER 14 HN SER 14 4.388 0.096 -2.680
109 HA SER 14 HA SER 14 3.497 -2.532 -1.871
110 1HB SER 14 HB2 SER 14 5.658 -1.583 -3.860
111 2HB SER 14 HB3 SER 14 5.167 -3.304 -3.611
112 HG SER 14 HG SER 14 3.500 -1.184 -4.442
113 H LYS 15 HN LYS 15 5.574 -0.274 -0.504
114 HA LYS 15 HA LYS 15 7.647 -1.939 0.483
115 1HB LYS 15 HB2 LYS 15 6.737 0.955 0.650
116 2HB LYS 15 HB3 LYS 15 7.953 0.338 1.800
117 1HG LYS 15 HG2 LYS 15 9.404 -0.305 -0.161
118 2HG LYS 15 HG3 LYS 15 8.097 0.245 -1.275
119 1HD LYS 15 HD2 LYS 15 8.277 2.563 -0.332
120 2HD LYS 15 HD3 LYS 15 9.648 2.022 0.705
121 1HE LYS 15 HE2 LYS 15 10.977 1.447 -1.365
122 2HE LYS 15 HE3 LYS 15 9.590 1.989 -2.398
123 1HZ LYS 15 HZ2 LYS 15 9.806 4.179 -1.439
124 2HZ LYS 15 HZ3 LYS 15 11.109 3.673 -0.475
125 3HZ LYS 15 HZ1 LYS 15 11.257 3.680 -2.168
126 HA PRO 16 HA PRO 16 5.095 -1.724 4.560
127 1HB PRO 16 HB2 PRO 16 2.597 -0.530 4.641
128 2HB PRO 16 HB3 PRO 16 4.159 0.343 4.916
129 1HG PRO 16 HG2 PRO 16 2.564 -0.082 2.377
130 2HG PRO 16 HG3 PRO 16 3.036 1.525 3.050
131 1HD PRO 16 HD2 PRO 16 4.582 0.407 1.130
132 2HD PRO 16 HD3 PRO 16 5.416 1.074 2.561
133 H CYS 17 HN CYS 17 2.841 -2.099 1.692
134 HA CYS 17 HA CYS 17 1.242 -4.032 2.793
135 1HB CYS 17 HB2 CYS 17 1.713 -3.506 -0.198
136 2HB CYS 17 HB3 CYS 17 0.339 -4.420 0.522
137 H LYS 18 HN LYS 18 4.332 -4.408 0.887
138 HA LYS 18 HA LYS 18 4.036 -7.304 0.828
139 1HB LYS 18 HB2 LYS 18 6.207 -5.511 -0.300
140 2HB LYS 18 HB3 LYS 18 6.200 -7.311 -0.391
141 1HG LYS 18 HG2 LYS 18 3.944 -7.244 -1.446
142 2HG LYS 18 HG3 LYS 18 4.028 -5.447 -1.475
143 1HD LYS 18 HD2 LYS 18 5.959 -5.529 -3.027
144 2HD LYS 18 HD3 LYS 18 6.066 -7.316 -2.849
145 1HE LYS 18 HE2 LYS 18 4.982 -6.702 -5.017
146 2HE LYS 18 HE3 LYS 18 3.837 -7.605 -3.943
147 1HZ LYS 18 HZ2 LYS 18 3.933 -4.656 -4.311
148 2HZ LYS 18 HZ3 LYS 18 2.806 -5.727 -4.997
149 3HZ LYS 18 HZ1 LYS 18 2.856 -5.511 -3.313
150 H GLU 19 HN GLU 19 5.152 -4.981 3.036
151 HA GLU 19 HA GLU 19 6.784 -6.869 4.554
152 1HB GLU 19 HB2 GLU 19 7.256 -4.417 4.456
153 2HB GLU 19 HB3 GLU 19 5.771 -4.108 5.400
154 1HG GLU 19 HG2 GLU 19 6.737 -5.461 7.317
155 2HG GLU 19 HG3 GLU 19 8.209 -5.785 6.325
156 H LEU 20 HN LEU 20 3.429 -6.034 4.184
157 HA LEU 20 HA LEU 20 2.518 -7.185 6.707
158 1HB LEU 20 HB2 LEU 20 1.188 -5.697 4.379
159 2HB LEU 20 HB3 LEU 20 0.190 -6.500 5.668
160 HG LEU 20 HG LEU 20 2.109 -4.177 6.018
161 1HD1 LEU 20 HD11 LEU 20 -0.018 -3.620 4.902
162 2HD1 LEU 20 HD12 LEU 20 -0.946 -4.353 6.263
163 3HD1 LEU 20 HD13 LEU 20 0.072 -2.891 6.548
164 1HD2 LEU 20 HD22 LEU 20 0.430 -5.639 8.156
165 2HD2 LEU 20 HD23 LEU 20 2.232 -5.553 8.085
166 3HD2 LEU 20 HD21 LEU 20 1.276 -4.063 8.391
167 H TYR 21 HN TYR 21 1.598 -7.545 3.236
168 HA TYR 21 HA TYR 21 0.332 -10.084 3.752
169 1HB TYR 21 HB2 TYR 21 0.203 -8.091 1.414
170 2HB TYR 21 HB3 TYR 21 -0.685 -9.658 1.427
171 HD1 TYR 21 HD2 TYR 21 -0.472 -6.292 3.091
172 HD2 TYR 21 HD1 TYR 21 -2.539 -10.059 2.842
173 HE1 TYR 21 HE2 TYR 21 -2.350 -5.354 4.369
174 HE2 TYR 21 HE1 TYR 21 -4.447 -9.097 4.071
175 HH TYR 21 HH TYR 21 -5.293 -7.277 5.097
176 H GLY 22 HN GLY 22 3.395 -9.051 2.534
177 1HA GLY 22 HA1 GLY 22 5.036 -10.557 2.401
178 2HA GLY 22 HA2 GLY 22 3.933 -11.837 1.804
179 H SER 23 HN SER 23 3.040 -11.486 -0.440
180 HA SER 23 HA SER 23 4.626 -9.931 -2.272
181 1HB SER 23 HB2 SER 23 6.013 -12.069 -1.858
182 2HB SER 23 HB3 SER 23 4.648 -13.021 -2.525
183 HG SER 23 HG SER 23 6.118 -10.943 -3.810
184 H SER 24 HN SER 24 1.855 -11.430 -1.076
185 HA SER 24 HA SER 24 0.318 -11.214 -3.576
186 1HB SER 24 HB2 SER 24 0.250 -13.415 -2.344
187 2HB SER 24 HB3 SER 24 -0.440 -12.583 -0.915
188 HG SER 24 HG SER 24 -1.992 -13.535 -2.267
189 H ALA 25 HN ALA 25 0.774 -8.787 -3.226
190 HA ALA 25 HA ALA 25 -1.051 -7.550 -1.270
191 1HB ALA 25 HB3 ALA 25 1.798 -6.687 -2.125
192 2HB ALA 25 HB1 ALA 25 0.687 -5.693 -1.129
193 3HB ALA 25 HB2 ALA 25 1.304 -7.260 -0.499
194 H GLY 26 HN GLY 26 -2.607 -6.441 -2.337
195 1HA GLY 26 HA1 GLY 26 -2.148 -5.407 -5.050
196 2HA GLY 26 HA2 GLY 26 -3.688 -5.608 -4.127
197 H ALA 27 HN ALA 27 -0.667 -3.736 -4.402
198 HA ALA 27 HA ALA 27 -1.395 -1.931 -2.258
199 1HB ALA 27 HB3 ALA 27 1.139 -2.216 -3.986
200 2HB ALA 27 HB1 ALA 27 0.943 -1.083 -2.594
201 3HB ALA 27 HB2 ALA 27 0.890 -2.857 -2.330
202 H LYS 28 HN LYS 28 -2.590 -0.112 -2.708
203 HA LYS 28 HA LYS 28 -2.463 1.080 -5.409
204 1HB LYS 28 HB2 LYS 28 -4.856 0.881 -3.480
205 2HB LYS 28 HB3 LYS 28 -4.892 1.557 -5.158
206 1HG LYS 28 HG2 LYS 28 -4.160 -0.788 -5.944
207 2HG LYS 28 HG3 LYS 28 -4.504 -1.341 -4.259
208 1HD LYS 28 HD2 LYS 28 -6.875 -0.674 -4.489
209 2HD LYS 28 HD3 LYS 28 -6.545 0.085 -6.081
210 1HE LYS 28 HE2 LYS 28 -7.655 -2.138 -6.359
211 2HE LYS 28 HE3 LYS 28 -5.995 -2.134 -7.082
212 1HZ LYS 28 HZ2 LYS 28 -6.743 -3.235 -4.425
213 2HZ LYS 28 HZ3 LYS 28 -6.435 -4.122 -5.841
214 3HZ LYS 28 HZ1 LYS 28 -5.188 -3.231 -5.108
215 H CYS 29 HN CYS 29 -2.427 3.287 -5.465
216 HA CYS 29 HA CYS 29 -2.096 4.745 -2.909
217 1HB CYS 29 HB2 CYS 29 0.106 4.379 -4.032
218 2HB CYS 29 HB3 CYS 29 -0.509 5.146 -5.519
219 H MET 30 HN MET 30 -3.855 5.948 -2.697
220 HA MET 30 HA MET 30 -5.017 7.360 -5.006
221 1HB MET 30 HB2 MET 30 -6.375 6.182 -2.516
222 2HB MET 30 HB3 MET 30 -7.190 7.323 -3.633
223 1HG MET 30 HG2 MET 30 -6.118 4.526 -4.292
224 2HG MET 30 HG3 MET 30 -7.826 5.006 -4.083
225 1HE MET 30 HE1 MET 30 -9.212 6.443 -5.668
226 2HE MET 30 HE2 MET 30 -8.047 7.815 -5.664
227 3HE MET 30 HE3 MET 30 -8.653 7.157 -7.219
228 H ASN 31 HN ASN 31 -4.576 9.650 -4.722
229 HA ASN 31 HA ASN 31 -4.453 11.607 -3.864
230 1HB ASN 31 HB2 ASN 31 -5.185 10.550 -1.077
231 2HB ASN 31 HB3 ASN 31 -5.066 12.278 -1.569
232 1HD2 ASN 31 HD22 ASN 31 -8.034 12.182 -3.688
233 2HD2 ASN 31 HD21 ASN 31 -6.429 12.830 -3.645
234 H GLY 32 HN GLY 32 -3.266 10.099 -0.897
235 1HA GLY 32 HA1 GLY 32 -0.639 9.747 -1.690
236 2HA GLY 32 HA2 GLY 32 -0.806 11.285 -0.719
237 H LYS 33 HN LYS 33 -2.372 8.019 -0.734
238 HA LYS 33 HA LYS 33 -1.305 7.295 1.817
239 1HB LYS 33 HB2 LYS 33 -4.267 8.024 1.620
240 2HB LYS 33 HB3 LYS 33 -3.719 6.691 2.698
241 1HG LYS 33 HG2 LYS 33 -2.040 8.254 3.745
242 2HG LYS 33 HG3 LYS 33 -2.865 9.612 2.916
243 1HD LYS 33 HD2 LYS 33 -5.018 9.062 3.991
244 2HD LYS 33 HD3 LYS 33 -4.310 7.602 4.761
245 1HE LYS 33 HE2 LYS 33 -3.388 10.505 5.335
246 2HE LYS 33 HE3 LYS 33 -4.533 9.545 6.362
247 1HZ LYS 33 HZ3 LYS 33 -2.806 7.917 6.681
248 2HZ LYS 33 HZ1 LYS 33 -1.728 8.808 5.719
249 3HZ LYS 33 HZ2 LYS 33 -2.295 9.458 7.182
250 H CYS 34 HN CYS 34 -1.732 5.095 2.246
251 HA CYS 34 HA CYS 34 -1.659 3.581 -0.245
252 1HB CYS 34 HB2 CYS 34 0.400 3.835 1.078
253 2HB CYS 34 HB3 CYS 34 -0.424 3.269 2.551
254 H LYS 35 HN LYS 35 -2.775 1.686 -0.523
255 HA LYS 35 HA LYS 35 -4.550 0.681 1.609
256 1HB LYS 35 HB2 LYS 35 -4.952 0.874 -1.441
257 2HB LYS 35 HB3 LYS 35 -5.966 -0.137 -0.354
258 1HG LYS 35 HG2 LYS 35 -6.488 1.924 0.975
259 2HG LYS 35 HG3 LYS 35 -5.691 2.931 -0.281
260 1HD LYS 35 HD2 LYS 35 -8.017 0.982 -0.781
261 2HD LYS 35 HD3 LYS 35 -8.234 2.742 -0.449
262 1HE LYS 35 HE2 LYS 35 -6.891 3.272 -2.527
263 2HE LYS 35 HE3 LYS 35 -6.777 1.500 -2.883
264 1HZ LYS 35 HZ2 LYS 35 -9.283 3.072 -2.652
265 2HZ LYS 35 HZ3 LYS 35 -8.548 2.538 -4.087
266 3HZ LYS 35 HZ1 LYS 35 -9.167 1.409 -2.978
267 H CYS 36 HN CYS 36 -4.396 -1.516 1.940
268 HA CYS 36 HA CYS 36 -2.535 -3.064 0.216
269 1HB CYS 36 HB2 CYS 36 -2.816 -3.347 3.267
270 2HB CYS 36 HB3 CYS 36 -1.748 -4.325 2.102
271 H TYR 37 HN TYR 37 -3.777 -4.403 -0.926
272 HA TYR 37 HA TYR 37 -6.008 -5.819 0.333
273 1HB TYR 37 HB2 TYR 37 -5.319 -5.018 -2.577
274 2HB TYR 37 HB3 TYR 37 -6.669 -6.102 -2.133
275 HD1 TYR 37 HD2 TYR 37 -8.344 -5.232 -0.358
276 HD2 TYR 37 HD1 TYR 37 -5.727 -2.627 -2.575
277 HE1 TYR 37 HE2 TYR 37 -9.867 -3.344 0.041
278 HE2 TYR 37 HE1 TYR 37 -7.279 -0.783 -2.287
279 HH TYR 37 HH TYR 37 -9.278 -0.105 -1.368
280 H ASN 38 HN ASN 38 -5.798 -7.685 -2.031
281 HA ASN 38 HA ASN 38 -3.263 -9.102 -1.585
282 1HB ASN 38 HB2 ASN 38 -6.114 -10.304 -1.462
283 2HB ASN 38 HB3 ASN 38 -4.643 -11.304 -1.751
284 1HD2 ASN 38 HD22 ASN 38 -3.420 -11.221 1.575
285 2HD2 ASN 38 HD21 ASN 38 -3.049 -11.532 -0.088
286 H ASN 39 HN ASN 39 -2.717 -10.415 -3.452
287 HA ASN 39 HA ASN 39 -3.882 -9.529 -5.986
288 1HB ASN 39 HB2 ASN 39 -1.490 -11.342 -5.298
289 2HB ASN 39 HB3 ASN 39 -2.071 -11.020 -6.976
290 1HD2 ASN 39 HD21 ASN 39 0.762 -8.638 -5.883
291 2HD2 ASN 39 HD22 ASN 39 0.561 -10.345 -5.662
292 1H NH2 40 HT1 ASN 39 -5.460 -10.753 -6.951
293 2H NH2 40 HT2 ASN 39 -5.825 -12.408 -6.589
No H/Q in entry = 293
Start of MODEL 2
1 1H THR 1 HN2 THR 1 -5.992 -3.622 4.398
2 2H THR 1 HN THR 1 -7.191 -2.990 5.422
3 3H THR 1 HN3 THR 1 -7.368 -4.549 4.767
4 HA THR 1 HA THR 1 -7.476 -3.666 2.585
5 HB THR 1 HB THR 1 -9.724 -2.514 2.688
6 HG1 THR 1 HG1 THR 1 -9.317 -2.837 5.480
7 1HG2 THR 1 HG21 THR 1 -9.407 -4.994 2.625
8 2HG2 THR 1 HG22 THR 1 -9.333 -5.043 4.426
9 3HG2 THR 1 HG23 THR 1 -10.847 -4.524 3.597
10 H ILE 2 HN ILE 2 -7.541 -0.882 4.938
11 HA ILE 2 HA ILE 2 -6.104 0.778 3.011
12 HB ILE 2 HB ILE 2 -8.392 1.634 4.879
13 1HG1 ILE 2 HG12 ILE 2 -8.362 1.248 1.825
14 2HG1 ILE 2 HG13 ILE 2 -9.323 0.333 3.021
15 1HG2 ILE 2 HG23 ILE 2 -6.647 3.168 2.833
16 2HG2 ILE 2 HG21 ILE 2 -8.073 3.856 3.698
17 3HG2 ILE 2 HG22 ILE 2 -6.628 3.370 4.621
18 1HD1 ILE 2 HD13 ILE 2 -10.545 2.457 3.655
19 2HD1 ILE 2 HD11 ILE 2 -9.679 3.312 2.321
20 3HD1 ILE 2 HD12 ILE 2 -10.784 1.946 1.943
21 H ILE 3 HN ILE 3 -4.187 1.388 3.916
22 HA ILE 3 HA ILE 3 -3.884 1.430 6.856
23 HB ILE 3 HB ILE 3 -1.595 1.023 6.698
24 1HG1 ILE 3 HG12 ILE 3 -1.946 0.381 3.704
25 2HG1 ILE 3 HG13 ILE 3 -1.231 1.917 4.298
26 1HG2 ILE 3 HG22 ILE 3 -3.328 -0.778 7.017
27 2HG2 ILE 3 HG23 ILE 3 -3.252 -1.138 5.250
28 3HG2 ILE 3 HG21 ILE 3 -1.802 -1.376 6.285
29 1HD1 ILE 3 HD13 ILE 3 0.449 0.647 5.636
30 2HD1 ILE 3 HD11 ILE 3 -0.152 -0.900 4.929
31 3HD1 ILE 3 HD12 ILE 3 0.588 0.333 3.853
32 H ASN 4 HN ASN 4 -1.642 3.006 7.083
33 HA ASN 4 HA ASN 4 -2.289 5.559 5.748
34 1HB ASN 4 HB2 ASN 4 -1.775 5.150 8.769
35 2HB ASN 4 HB3 ASN 4 -1.888 6.744 7.931
36 1HD2 ASN 4 HD22 ASN 4 -5.270 4.890 9.203
37 2HD2 ASN 4 HD21 ASN 4 -3.671 4.387 9.642
38 H VAL 5 HN VAL 5 -0.535 4.854 4.341
39 HA VAL 5 HA VAL 5 2.037 5.782 5.390
40 HB VAL 5 HB VAL 5 1.527 3.301 3.663
41 1HG1 VAL 5 HG11 VAL 5 4.089 5.029 3.737
42 2HG1 VAL 5 HG12 VAL 5 4.078 3.297 3.258
43 3HG1 VAL 5 HG13 VAL 5 3.151 4.464 2.286
44 1HG2 VAL 5 HG22 VAL 5 3.254 3.866 6.159
45 2HG2 VAL 5 HG23 VAL 5 1.721 2.915 6.095
46 3HG2 VAL 5 HG21 VAL 5 3.194 2.302 5.271
47 H LYS 6 HN LYS 6 2.742 7.481 4.237
48 HA LYS 6 HA LYS 6 0.973 8.557 2.277
49 1HB LYS 6 HB2 LYS 6 3.638 9.694 3.301
50 2HB LYS 6 HB3 LYS 6 2.351 10.588 2.412
51 1HG LYS 6 HG2 LYS 6 2.128 9.358 5.233
52 2HG LYS 6 HG3 LYS 6 2.388 11.086 4.829
53 1HD LYS 6 HD2 LYS 6 0.154 11.176 3.702
54 2HD LYS 6 HD3 LYS 6 -0.099 9.435 4.063
55 1HE LYS 6 HE2 LYS 6 -1.349 10.799 5.690
56 2HE LYS 6 HE3 LYS 6 -0.015 9.912 6.533
57 1HZ LYS 6 HZ3 LYS 6 1.296 11.926 6.442
58 2HZ LYS 6 HZ1 LYS 6 0.039 12.753 5.656
59 3HZ LYS 6 HZ2 LYS 6 -0.180 12.185 7.241
60 H CYS 7 HN CYS 7 1.361 8.801 0.019
61 HA CYS 7 HA CYS 7 3.805 7.642 -1.125
62 1HB CYS 7 HB2 CYS 7 2.667 5.985 -2.389
63 2HB CYS 7 HB3 CYS 7 2.196 5.811 -0.638
64 H THR 8 HN THR 8 3.735 7.903 -3.554
65 HA THR 8 HA THR 8 1.904 9.777 -4.676
66 HB THR 8 HB THR 8 3.627 11.288 -3.706
67 HG1 THR 8 HG1 THR 8 4.100 12.378 -5.588
68 1HG2 THR 8 HG21 THR 8 5.594 9.718 -3.778
69 2HG2 THR 8 HG22 THR 8 5.656 9.877 -5.574
70 3HG2 THR 8 HG23 THR 8 5.944 11.311 -4.530
71 H SER 9 HN SER 9 2.670 6.873 -4.644
72 HA SER 9 HA SER 9 2.725 6.306 -7.362
73 1HB SER 9 HB2 SER 9 4.928 5.155 -7.589
74 2HB SER 9 HB3 SER 9 5.170 6.889 -7.161
75 HG SER 9 HG SER 9 5.493 6.299 -5.047
76 HA PRO 10 HA PRO 10 1.262 2.656 -5.027
77 1HB PRO 10 HB2 PRO 10 1.701 1.131 -7.641
78 2HB PRO 10 HB3 PRO 10 0.295 1.131 -6.511
79 1HG PRO 10 HG2 PRO 10 0.240 2.568 -8.853
80 2HG PRO 10 HG3 PRO 10 -0.410 3.310 -7.329
81 1HD PRO 10 HD2 PRO 10 2.384 3.694 -8.573
82 2HD PRO 10 HD3 PRO 10 1.198 4.954 -7.991
83 H LYS 11 HN LYS 11 4.427 2.641 -6.654
84 HA LYS 11 HA LYS 11 5.457 0.361 -5.267
85 1HB LYS 11 HB2 LYS 11 6.921 2.555 -6.817
86 2HB LYS 11 HB3 LYS 11 7.608 0.971 -6.296
87 1HG LYS 11 HG2 LYS 11 5.318 1.408 -8.304
88 2HG LYS 11 HG3 LYS 11 7.017 0.985 -8.683
89 1HD LYS 11 HD2 LYS 11 6.785 -1.185 -7.489
90 2HD LYS 11 HD3 LYS 11 5.079 -0.807 -7.072
91 1HE LYS 11 HE2 LYS 11 6.170 -1.104 -9.949
92 2HE LYS 11 HE3 LYS 11 5.236 -2.352 -9.024
93 1HZ LYS 11 HZ1 LYS 11 3.401 -0.816 -8.901
94 2HZ LYS 11 HZ2 LYS 11 4.271 0.361 -9.762
95 3HZ LYS 11 HZ3 LYS 11 3.848 -1.103 -10.514
96 H GLN 12 HN GLN 12 4.698 3.487 -4.066
97 HA GLN 12 HA GLN 12 6.728 3.428 -1.984
98 1HB GLN 12 HB2 GLN 12 6.340 5.478 -3.322
99 2HB GLN 12 HB3 GLN 12 4.720 5.582 -2.751
100 1HG GLN 12 HG2 GLN 12 5.609 5.982 -0.391
101 2HG GLN 12 HG3 GLN 12 7.264 5.526 -0.935
102 1HE2 GLN 12 HE22 GLN 12 7.672 8.629 -2.933
103 2HE2 GLN 12 HE21 GLN 12 7.800 6.919 -3.179
104 H CYS 13 HN CYS 13 4.013 1.825 -2.682
105 HA CYS 13 HA CYS 13 2.927 1.801 0.039
106 1HB CYS 13 HB2 CYS 13 1.392 3.022 -1.539
107 2HB CYS 13 HB3 CYS 13 1.488 1.691 -2.709
108 H SER 14 HN SER 14 4.448 0.019 -2.659
109 HA SER 14 HA SER 14 3.512 -2.568 -1.822
110 1HB SER 14 HB2 SER 14 5.687 -1.683 -3.821
111 2HB SER 14 HB3 SER 14 5.139 -3.388 -3.566
112 HG SER 14 HG SER 14 3.062 -2.698 -4.150
113 H LYS 15 HN LYS 15 5.648 -0.351 -0.455
114 HA LYS 15 HA LYS 15 7.638 -2.110 0.564
115 1HB LYS 15 HB2 LYS 15 6.908 0.814 0.635
116 2HB LYS 15 HB3 LYS 15 7.907 0.182 1.973
117 1HG LYS 15 HG2 LYS 15 9.526 -0.740 0.274
118 2HG LYS 15 HG3 LYS 15 8.537 0.013 -1.033
119 1HD LYS 15 HD2 LYS 15 9.894 1.541 1.283
120 2HD LYS 15 HD3 LYS 15 10.602 1.320 -0.357
121 1HE LYS 15 HE2 LYS 15 8.685 2.560 -1.385
122 2HE LYS 15 HE3 LYS 15 7.956 2.817 0.253
123 1HZ LYS 15 HZ2 LYS 15 10.615 3.782 -0.654
124 2HZ LYS 15 HZ3 LYS 15 9.202 4.707 -0.485
125 3HZ LYS 15 HZ1 LYS 15 9.934 4.018 0.884
126 HA PRO 16 HA PRO 16 5.057 -1.799 4.601
127 1HB PRO 16 HB2 PRO 16 2.592 -0.540 4.654
128 2HB PRO 16 HB3 PRO 16 4.174 0.293 4.934
129 1HG PRO 16 HG2 PRO 16 2.589 -0.111 2.387
130 2HG PRO 16 HG3 PRO 16 3.099 1.490 3.048
131 1HD PRO 16 HD2 PRO 16 4.611 0.312 1.148
132 2HD PRO 16 HD3 PRO 16 5.474 0.970 2.568
133 H CYS 17 HN CYS 17 2.829 -2.144 1.716
134 HA CYS 17 HA CYS 17 1.186 -4.055 2.791
135 1HB CYS 17 HB2 CYS 17 1.726 -3.542 -0.192
136 2HB CYS 17 HB3 CYS 17 0.326 -4.438 0.501
137 H LYS 18 HN LYS 18 4.304 -4.471 0.935
138 HA LYS 18 HA LYS 18 3.983 -7.366 0.869
139 1HB LYS 18 HB2 LYS 18 6.198 -5.577 -0.186
140 2HB LYS 18 HB3 LYS 18 6.174 -7.375 -0.306
141 1HG LYS 18 HG2 LYS 18 3.940 -7.253 -1.429
142 2HG LYS 18 HG3 LYS 18 4.064 -5.458 -1.424
143 1HD LYS 18 HD2 LYS 18 6.120 -5.598 -2.846
144 2HD LYS 18 HD3 LYS 18 6.024 -7.398 -2.818
145 1HE LYS 18 HE2 LYS 18 3.804 -7.315 -3.996
146 2HE LYS 18 HE3 LYS 18 3.877 -5.505 -4.012
147 1HZ LYS 18 HZ3 LYS 18 5.813 -7.349 -5.312
148 2HZ LYS 18 HZ1 LYS 18 4.588 -6.458 -6.081
149 3HZ LYS 18 HZ2 LYS 18 5.879 -5.652 -5.328
150 H GLU 19 HN GLU 19 5.048 -5.062 3.117
151 HA GLU 19 HA GLU 19 6.658 -6.958 4.654
152 1HB GLU 19 HB2 GLU 19 7.166 -4.514 4.561
153 2HB GLU 19 HB3 GLU 19 5.664 -4.181 5.470
154 1HG GLU 19 HG2 GLU 19 6.571 -5.536 7.415
155 2HG GLU 19 HG3 GLU 19 8.060 -5.882 6.458
156 H LEU 20 HN LEU 20 3.320 -6.069 4.237
157 HA LEU 20 HA LEU 20 2.355 -7.207 6.743
158 1HB LEU 20 HB2 LEU 20 1.085 -5.708 4.390
159 2HB LEU 20 HB3 LEU 20 0.054 -6.498 5.661
160 HG LEU 20 HG LEU 20 1.985 -4.190 6.038
161 1HD1 LEU 20 HD11 LEU 20 -0.130 -3.626 4.899
162 2HD1 LEU 20 HD12 LEU 20 -1.074 -4.353 6.252
163 3HD1 LEU 20 HD13 LEU 20 -0.052 -2.894 6.544
164 1HD2 LEU 20 HD22 LEU 20 0.277 -5.644 8.160
165 2HD2 LEU 20 HD23 LEU 20 2.080 -5.564 8.109
166 3HD2 LEU 20 HD21 LEU 20 1.125 -4.072 8.403
167 H TYR 21 HN TYR 21 1.496 -7.564 3.256
168 HA TYR 21 HA TYR 21 0.201 -10.095 3.750
169 1HB TYR 21 HB2 TYR 21 0.124 -8.106 1.407
170 2HB TYR 21 HB3 TYR 21 -0.770 -9.669 1.414
171 HD1 TYR 21 HD2 TYR 21 -0.561 -6.303 3.083
172 HD2 TYR 21 HD1 TYR 21 -2.665 -10.046 2.777
173 HE1 TYR 21 HE2 TYR 21 -2.456 -5.347 4.323
174 HE2 TYR 21 HE1 TYR 21 -4.589 -9.063 3.963
175 HH TYR 21 HH TYR 21 -4.531 -5.653 5.111
176 H GLY 22 HN GLY 22 3.277 -9.045 2.539
177 1HA GLY 22 HA1 GLY 22 4.931 -10.539 2.450
178 2HA GLY 22 HA2 GLY 22 3.845 -11.842 1.877
179 H SER 23 HN SER 23 2.985 -11.583 -0.373
180 HA SER 23 HA SER 23 4.671 -10.141 -2.255
181 1HB SER 23 HB2 SER 23 4.418 -13.227 -2.261
182 2HB SER 23 HB3 SER 23 5.086 -12.242 -3.622
183 HG SER 23 HG SER 23 6.665 -13.102 -2.289
184 H SER 24 HN SER 24 1.781 -11.571 -1.091
185 HA SER 24 HA SER 24 0.300 -11.219 -3.605
186 1HB SER 24 HB2 SER 24 0.147 -13.439 -2.424
187 2HB SER 24 HB3 SER 24 -0.555 -12.621 -0.993
188 HG SER 24 HG SER 24 -2.225 -11.897 -2.423
189 H ALA 25 HN ALA 25 0.759 -8.804 -3.232
190 HA ALA 25 HA ALA 25 -1.049 -7.568 -1.262
191 1HB ALA 25 HB3 ALA 25 1.803 -6.727 -2.130
192 2HB ALA 25 HB1 ALA 25 0.709 -5.729 -1.118
193 3HB ALA 25 HB2 ALA 25 1.313 -7.308 -0.503
194 H GLY 26 HN GLY 26 -2.613 -6.454 -2.327
195 1HA GLY 26 HA1 GLY 26 -2.159 -5.419 -5.038
196 2HA GLY 26 HA2 GLY 26 -3.693 -5.612 -4.107
197 H ALA 27 HN ALA 27 -0.669 -3.749 -4.403
198 HA ALA 27 HA ALA 27 -1.386 -1.932 -2.268
199 1HB ALA 27 HB2 ALA 27 1.143 -2.219 -4.002
200 2HB ALA 27 HB3 ALA 27 0.952 -1.082 -2.612
201 3HB ALA 27 HB1 ALA 27 0.901 -2.855 -2.344
202 H LYS 28 HN LYS 28 -2.563 -0.106 -2.711
203 HA LYS 28 HA LYS 28 -2.460 1.079 -5.416
204 1HB LYS 28 HB2 LYS 28 -4.838 0.890 -3.464
205 2HB LYS 28 HB3 LYS 28 -4.887 1.573 -5.138
206 1HG LYS 28 HG2 LYS 28 -4.182 -0.773 -5.942
207 2HG LYS 28 HG3 LYS 28 -4.514 -1.330 -4.255
208 1HD LYS 28 HD2 LYS 28 -6.879 -0.634 -4.454
209 2HD LYS 28 HD3 LYS 28 -6.559 0.123 -6.048
210 1HE LYS 28 HE2 LYS 28 -7.698 -2.085 -6.319
211 2HE LYS 28 HE3 LYS 28 -6.047 -2.099 -7.060
212 1HZ LYS 28 HZ3 LYS 28 -6.779 -3.195 -4.396
213 2HZ LYS 28 HZ1 LYS 28 -6.498 -4.084 -5.816
214 3HZ LYS 28 HZ2 LYS 28 -5.233 -3.210 -5.096
215 H CYS 29 HN CYS 29 -2.432 3.294 -5.468
216 HA CYS 29 HA CYS 29 -2.102 4.749 -2.910
217 1HB CYS 29 HB2 CYS 29 0.105 4.396 -4.038
218 2HB CYS 29 HB3 CYS 29 -0.518 5.154 -5.524
219 H MET 30 HN MET 30 -3.824 5.999 -2.694
220 HA MET 30 HA MET 30 -5.000 7.382 -5.015
221 1HB MET 30 HB2 MET 30 -6.397 6.298 -2.498
222 2HB MET 30 HB3 MET 30 -7.183 7.344 -3.733
223 1HG MET 30 HG2 MET 30 -6.049 4.525 -4.153
224 2HG MET 30 HG3 MET 30 -7.771 4.982 -3.995
225 1HE MET 30 HE2 MET 30 -8.136 3.459 -6.025
226 2HE MET 30 HE3 MET 30 -7.335 3.637 -7.623
227 3HE MET 30 HE1 MET 30 -6.369 3.170 -6.182
228 H ASN 31 HN ASN 31 -4.535 9.672 -4.733
229 HA ASN 31 HA ASN 31 -4.387 11.631 -3.877
230 1HB ASN 31 HB2 ASN 31 -5.164 10.587 -1.098
231 2HB ASN 31 HB3 ASN 31 -5.011 12.313 -1.587
232 1HD2 ASN 31 HD22 ASN 31 -7.955 12.267 -3.741
233 2HD2 ASN 31 HD21 ASN 31 -6.339 12.887 -3.680
234 H GLY 32 HN GLY 32 -3.252 10.115 -0.891
235 1HA GLY 32 HA1 GLY 32 -0.626 9.722 -1.669
236 2HA GLY 32 HA2 GLY 32 -0.774 11.264 -0.702
237 H LYS 33 HN LYS 33 -2.382 8.018 -0.710
238 HA LYS 33 HA LYS 33 -1.279 7.279 1.821
239 1HB LYS 33 HB2 LYS 33 -4.276 7.900 1.671
240 2HB LYS 33 HB3 LYS 33 -3.615 6.652 2.787
241 1HG LYS 33 HG2 LYS 33 -1.960 8.426 3.625
242 2HG LYS 33 HG3 LYS 33 -3.034 9.645 2.857
243 1HD LYS 33 HD2 LYS 33 -3.865 7.565 4.980
244 2HD LYS 33 HD3 LYS 33 -3.507 9.300 5.291
245 1HE LYS 33 HE2 LYS 33 -5.450 9.972 3.831
246 2HE LYS 33 HE3 LYS 33 -5.836 8.225 3.545
247 1HZ LYS 33 HZ1 LYS 33 -5.795 9.604 6.176
248 2HZ LYS 33 HZ2 LYS 33 -7.169 9.166 5.279
249 3HZ LYS 33 HZ3 LYS 33 -6.148 7.964 5.910
250 H CYS 34 HN CYS 34 -1.688 5.077 2.241
251 HA CYS 34 HA CYS 34 -1.620 3.579 -0.258
252 1HB CYS 34 HB2 CYS 34 0.442 3.811 1.063
253 2HB CYS 34 HB3 CYS 34 -0.387 3.258 2.539
254 H LYS 35 HN LYS 35 -2.717 1.668 -0.530
255 HA LYS 35 HA LYS 35 -4.502 0.675 1.598
256 1HB LYS 35 HB2 LYS 35 -4.926 0.927 -1.442
257 2HB LYS 35 HB3 LYS 35 -5.939 -0.109 -0.381
258 1HG LYS 35 HG2 LYS 35 -6.447 1.930 1.010
259 2HG LYS 35 HG3 LYS 35 -5.664 2.955 -0.244
260 1HD LYS 35 HD2 LYS 35 -7.992 1.005 -0.732
261 2HD LYS 35 HD3 LYS 35 -8.204 2.767 -0.405
262 1HE LYS 35 HE2 LYS 35 -6.869 3.279 -2.492
263 2HE LYS 35 HE3 LYS 35 -6.767 1.505 -2.844
264 1HZ LYS 35 HZ1 LYS 35 -9.264 3.093 -2.605
265 2HZ LYS 35 HZ2 LYS 35 -8.538 2.549 -4.042
266 3HZ LYS 35 HZ3 LYS 35 -9.158 1.428 -2.927
267 H CYS 36 HN CYS 36 -4.345 -1.500 1.942
268 HA CYS 36 HA CYS 36 -2.523 -3.074 0.209
269 1HB CYS 36 HB2 CYS 36 -2.789 -3.326 3.264
270 2HB CYS 36 HB3 CYS 36 -1.725 -4.314 2.104
271 H TYR 37 HN TYR 37 -3.742 -4.441 -0.901
272 HA TYR 37 HA TYR 37 -5.989 -5.829 0.365
273 1HB TYR 37 HB2 TYR 37 -5.324 -5.001 -2.545
274 2HB TYR 37 HB3 TYR 37 -6.679 -6.076 -2.098
275 HD1 TYR 37 HD1 TYR 37 -8.299 -5.187 -0.243
276 HD2 TYR 37 HD2 TYR 37 -5.731 -2.618 -2.559
277 HE1 TYR 37 HE1 TYR 37 -9.802 -3.286 0.176
278 HE2 TYR 37 HE2 TYR 37 -7.267 -0.765 -2.251
279 HH TYR 37 HH TYR 37 -9.250 -0.073 -1.292
280 H ASN 38 HN ASN 38 -5.795 -7.655 -2.051
281 HA ASN 38 HA ASN 38 -3.259 -9.072 -1.651
282 1HB ASN 38 HB2 ASN 38 -6.092 -10.321 -1.506
283 2HB ASN 38 HB3 ASN 38 -4.594 -11.283 -1.801
284 1HD2 ASN 38 HD22 ASN 38 -5.530 -10.059 2.010
285 2HD2 ASN 38 HD21 ASN 38 -6.519 -9.632 0.654
286 H ASN 39 HN ASN 39 -2.724 -10.354 -3.532
287 HA ASN 39 HA ASN 39 -3.891 -9.428 -6.042
288 1HB ASN 39 HB2 ASN 39 -1.543 -11.312 -5.390
289 2HB ASN 39 HB3 ASN 39 -2.113 -10.935 -7.061
290 1HD2 ASN 39 HD21 ASN 39 0.769 -8.643 -5.867
291 2HD2 ASN 39 HD22 ASN 39 0.523 -10.346 -5.665
292 1H NH2 40 HT1 ASN 39 -5.563 -10.565 -6.949
293 2H NH2 40 HT2 ASN 39 -5.941 -12.229 -6.649
No H/Q in entry = 293
Start of MODEL 3
1 1H THR 1 HN THR 1 -9.086 -2.836 2.868
2 2H THR 1 HN3 THR 1 -7.710 -3.774 2.534
3 3H THR 1 HN2 THR 1 -8.872 -4.335 3.640
4 HA THR 1 HA THR 1 -8.403 -2.521 5.102
5 HB THR 1 HB THR 1 -5.888 -4.111 4.296
6 HG1 THR 1 HG1 THR 1 -7.722 -5.329 4.813
7 1HG2 THR 1 HG22 THR 1 -6.599 -2.668 6.950
8 2HG2 THR 1 HG23 THR 1 -5.219 -3.806 6.717
9 3HG2 THR 1 HG21 THR 1 -5.239 -2.245 5.842
10 H ILE 2 HN ILE 2 -7.671 -0.434 5.391
11 HA ILE 2 HA ILE 2 -6.059 0.836 3.288
12 HB ILE 2 HB ILE 2 -8.354 1.978 4.980
13 1HG1 ILE 2 HG12 ILE 2 -8.212 1.184 2.005
14 2HG1 ILE 2 HG13 ILE 2 -9.235 0.458 3.272
15 1HG2 ILE 2 HG23 ILE 2 -6.527 3.249 2.829
16 2HG2 ILE 2 HG21 ILE 2 -7.979 4.037 3.554
17 3HG2 ILE 2 HG22 ILE 2 -6.571 3.664 4.580
18 1HD1 ILE 2 HD11 ILE 2 -10.448 2.663 3.551
19 2HD1 ILE 2 HD12 ILE 2 -9.509 3.315 2.152
20 3HD1 ILE 2 HD13 ILE 2 -10.621 1.923 1.916
21 H ILE 3 HN ILE 3 -4.072 1.294 4.112
22 HA ILE 3 HA ILE 3 -3.675 1.347 7.022
23 HB ILE 3 HB ILE 3 -1.417 0.874 6.721
24 1HG1 ILE 3 HG12 ILE 3 -1.893 0.439 3.715
25 2HG1 ILE 3 HG13 ILE 3 -1.185 1.964 4.342
26 1HG2 ILE 3 HG22 ILE 3 -3.204 -0.881 6.965
27 2HG2 ILE 3 HG23 ILE 3 -3.246 -1.068 5.171
28 3HG2 ILE 3 HG21 ILE 3 -1.751 -1.467 6.086
29 1HD1 ILE 3 HD11 ILE 3 0.593 0.723 5.528
30 2HD1 ILE 3 HD12 ILE 3 -0.027 -0.841 4.888
31 3HD1 ILE 3 HD13 ILE 3 0.624 0.385 3.747
32 H ASN 4 HN ASN 4 -1.570 2.732 7.555
33 HA ASN 4 HA ASN 4 -2.169 5.499 6.752
34 1HB ASN 4 HB2 ASN 4 -2.779 4.751 9.121
35 2HB ASN 4 HB3 ASN 4 -1.044 4.480 9.440
36 1HD2 ASN 4 HD22 ASN 4 -2.634 8.352 9.056
37 2HD2 ASN 4 HD21 ASN 4 -3.445 6.990 8.358
38 H VAL 5 HN VAL 5 -0.691 4.878 4.886
39 HA VAL 5 HA VAL 5 1.978 5.845 5.499
40 HB VAL 5 HB VAL 5 1.316 3.356 3.827
41 1HG1 VAL 5 HG12 VAL 5 3.850 5.117 3.585
42 2HG1 VAL 5 HG13 VAL 5 3.713 3.439 2.956
43 3HG1 VAL 5 HG11 VAL 5 2.672 4.703 2.270
44 1HG2 VAL 5 HG22 VAL 5 3.383 3.947 6.040
45 2HG2 VAL 5 HG23 VAL 5 1.915 2.902 6.170
46 3HG2 VAL 5 HG21 VAL 5 3.280 2.408 5.116
47 H LYS 6 HN LYS 6 2.728 7.278 4.042
48 HA LYS 6 HA LYS 6 0.695 8.421 2.271
49 1HB LYS 6 HB2 LYS 6 3.300 9.699 3.321
50 2HB LYS 6 HB3 LYS 6 1.952 10.515 2.445
51 1HG LYS 6 HG2 LYS 6 1.883 9.277 5.267
52 2HG LYS 6 HG3 LYS 6 1.982 11.021 4.869
53 1HD LYS 6 HD2 LYS 6 -0.264 10.978 3.846
54 2HD LYS 6 HD3 LYS 6 -0.392 9.206 4.111
55 1HE LYS 6 HE2 LYS 6 -0.140 11.289 6.381
56 2HE LYS 6 HE3 LYS 6 -1.680 10.516 5.822
57 1HZ LYS 6 HZ2 LYS 6 -0.765 8.379 6.400
58 2HZ LYS 6 HZ3 LYS 6 0.685 9.093 6.923
59 3HZ LYS 6 HZ1 LYS 6 -0.767 9.425 7.739
60 H CYS 7 HN CYS 7 1.238 8.711 0.018
61 HA CYS 7 HA CYS 7 3.785 7.610 -0.949
62 1HB CYS 7 HB2 CYS 7 2.727 5.956 -2.359
63 2HB CYS 7 HB3 CYS 7 2.222 5.717 -0.627
64 H THR 8 HN THR 8 3.668 7.731 -3.466
65 HA THR 8 HA THR 8 2.016 9.741 -4.606
66 HB THR 8 HB THR 8 3.780 11.158 -3.559
67 HG1 THR 8 HG1 THR 8 3.925 11.041 -6.369
68 1HG2 THR 8 HG22 THR 8 5.673 9.493 -3.604
69 2HG2 THR 8 HG23 THR 8 5.798 9.689 -5.392
70 3HG2 THR 8 HG21 THR 8 6.117 11.085 -4.309
71 H SER 9 HN SER 9 2.596 6.813 -4.631
72 HA SER 9 HA SER 9 2.762 6.252 -7.326
73 1HB SER 9 HB2 SER 9 4.966 5.002 -7.434
74 2HB SER 9 HB3 SER 9 5.192 6.766 -7.176
75 HG SER 9 HG SER 9 6.537 5.563 -5.911
76 HA PRO 10 HA PRO 10 1.300 2.569 -5.000
77 1HB PRO 10 HB2 PRO 10 1.596 1.102 -7.659
78 2HB PRO 10 HB3 PRO 10 0.216 1.146 -6.500
79 1HG PRO 10 HG2 PRO 10 0.169 2.603 -8.825
80 2HG PRO 10 HG3 PRO 10 -0.449 3.328 -7.282
81 1HD PRO 10 HD2 PRO 10 2.333 3.692 -8.552
82 2HD PRO 10 HD3 PRO 10 1.173 4.958 -7.936
83 H LYS 11 HN LYS 11 4.365 2.701 -6.733
84 HA LYS 11 HA LYS 11 5.603 0.399 -5.695
85 1HB LYS 11 HB2 LYS 11 6.860 2.991 -6.739
86 2HB LYS 11 HB3 LYS 11 7.700 1.407 -6.537
87 1HG LYS 11 HG2 LYS 11 5.384 2.020 -8.478
88 2HG LYS 11 HG3 LYS 11 7.126 1.886 -8.881
89 1HD LYS 11 HD2 LYS 11 7.117 -0.513 -8.156
90 2HD LYS 11 HD3 LYS 11 5.357 -0.395 -7.791
91 1HE LYS 11 HE2 LYS 11 4.879 0.143 -10.199
92 2HE LYS 11 HE3 LYS 11 6.647 0.011 -10.576
93 1HZ LYS 11 HZ1 LYS 11 4.919 -2.149 -9.487
94 2HZ LYS 11 HZ2 LYS 11 5.459 -1.994 -11.089
95 3HZ LYS 11 HZ3 LYS 11 6.575 -2.273 -9.839
96 H GLN 12 HN GLN 12 4.972 3.564 -4.204
97 HA GLN 12 HA GLN 12 6.905 3.323 -2.105
98 1HB GLN 12 HB2 GLN 12 6.418 5.506 -3.116
99 2HB GLN 12 HB3 GLN 12 4.722 5.320 -2.831
100 1HG GLN 12 HG2 GLN 12 5.869 6.932 -1.267
101 2HG GLN 12 HG3 GLN 12 5.165 5.580 -0.321
102 1HE2 GLN 12 HE22 GLN 12 9.332 5.714 -0.920
103 2HE2 GLN 12 HE21 GLN 12 8.261 6.301 -2.149
104 H CYS 13 HN CYS 13 3.756 2.144 -2.856
105 HA CYS 13 HA CYS 13 2.899 1.884 -0.067
106 1HB CYS 13 HB2 CYS 13 1.376 3.079 -1.671
107 2HB CYS 13 HB3 CYS 13 1.425 1.696 -2.786
108 H SER 14 HN SER 14 4.378 0.041 -2.712
109 HA SER 14 HA SER 14 3.418 -2.517 -1.714
110 1HB SER 14 HB2 SER 14 4.746 -3.513 -3.545
111 2HB SER 14 HB3 SER 14 3.552 -2.302 -4.112
112 HG SER 14 HG SER 14 6.314 -1.833 -3.709
113 H LYS 15 HN LYS 15 5.574 -0.280 -0.538
114 HA LYS 15 HA LYS 15 7.660 -1.942 0.419
115 1HB LYS 15 HB2 LYS 15 6.749 0.948 0.594
116 2HB LYS 15 HB3 LYS 15 7.937 0.336 1.773
117 1HG LYS 15 HG2 LYS 15 9.431 -0.310 -0.167
118 2HG LYS 15 HG3 LYS 15 8.172 0.319 -1.297
119 1HD LYS 15 HD2 LYS 15 8.390 2.600 -0.260
120 2HD LYS 15 HD3 LYS 15 9.638 1.961 0.863
121 1HE LYS 15 HE2 LYS 15 10.742 3.181 -0.970
122 2HE LYS 15 HE3 LYS 15 11.122 1.417 -1.128
123 1HZ LYS 15 HZ1 LYS 15 9.044 2.917 -2.639
124 2HZ LYS 15 HZ2 LYS 15 10.560 2.417 -3.222
125 3HZ LYS 15 HZ3 LYS 15 9.392 1.262 -2.792
126 HA PRO 16 HA PRO 16 5.165 -1.726 4.535
127 1HB PRO 16 HB2 PRO 16 2.673 -0.532 4.663
128 2HB PRO 16 HB3 PRO 16 4.239 0.348 4.894
129 1HG PRO 16 HG2 PRO 16 2.586 -0.100 2.396
130 2HG PRO 16 HG3 PRO 16 3.072 1.513 3.049
131 1HD PRO 16 HD2 PRO 16 4.569 0.374 1.098
132 2HD PRO 16 HD3 PRO 16 5.430 1.074 2.497
133 H CYS 17 HN CYS 17 2.891 -2.107 1.693
134 HA CYS 17 HA CYS 17 1.289 -4.032 2.821
135 1HB CYS 17 HB2 CYS 17 1.699 -3.444 -0.164
136 2HB CYS 17 HB3 CYS 17 0.338 -4.374 0.559
137 H LYS 18 HN LYS 18 4.350 -4.410 0.866
138 HA LYS 18 HA LYS 18 4.039 -7.310 0.807
139 1HB LYS 18 HB2 LYS 18 6.227 -5.534 -0.324
140 2HB LYS 18 HB3 LYS 18 6.192 -7.331 -0.421
141 1HG LYS 18 HG2 LYS 18 3.913 -7.206 -1.460
142 2HG LYS 18 HG3 LYS 18 4.074 -5.415 -1.520
143 1HD LYS 18 HD2 LYS 18 6.053 -5.638 -3.023
144 2HD LYS 18 HD3 LYS 18 5.978 -7.433 -2.881
145 1HE LYS 18 HE2 LYS 18 3.719 -7.449 -3.980
146 2HE LYS 18 HE3 LYS 18 3.774 -5.645 -4.125
147 1HZ LYS 18 HZ3 LYS 18 5.683 -7.563 -5.357
148 2HZ LYS 18 HZ1 LYS 18 4.426 -6.737 -6.145
149 3HZ LYS 18 HZ2 LYS 18 5.734 -5.872 -5.494
150 H GLU 19 HN GLU 19 5.185 -4.982 3.005
151 HA GLU 19 HA GLU 19 6.831 -6.870 4.507
152 1HB GLU 19 HB2 GLU 19 7.311 -4.423 4.411
153 2HB GLU 19 HB3 GLU 19 5.822 -4.105 5.346
154 1HG GLU 19 HG2 GLU 19 6.780 -5.416 7.290
155 2HG GLU 19 HG3 GLU 19 8.233 -5.805 6.292
156 H LEU 20 HN LEU 20 3.477 -6.038 4.170
157 HA LEU 20 HA LEU 20 2.586 -7.209 6.689
158 1HB LEU 20 HB2 LEU 20 1.235 -5.705 4.385
159 2HB LEU 20 HB3 LEU 20 0.250 -6.523 5.673
160 HG LEU 20 HG LEU 20 2.148 -4.183 6.015
161 1HD1 LEU 20 HD11 LEU 20 -0.023 -3.660 4.964
162 2HD1 LEU 20 HD12 LEU 20 -0.896 -4.418 6.347
163 3HD1 LEU 20 HD13 LEU 20 0.102 -2.937 6.611
164 1HD2 LEU 20 HD23 LEU 20 0.557 -5.698 8.185
165 2HD2 LEU 20 HD21 LEU 20 2.355 -5.570 8.067
166 3HD2 LEU 20 HD22 LEU 20 1.373 -4.106 8.411
167 H TYR 21 HN TYR 21 1.662 -7.558 3.213
168 HA TYR 21 HA TYR 21 0.403 -10.103 3.732
169 1HB TYR 21 HB2 TYR 21 0.252 -8.101 1.400
170 2HB TYR 21 HB3 TYR 21 -0.629 -9.671 1.411
171 HD1 TYR 21 HD1 TYR 21 -0.419 -6.312 3.087
172 HD2 TYR 21 HD2 TYR 21 -2.469 -10.089 2.839
173 HE1 TYR 21 HE1 TYR 21 -2.277 -5.399 4.411
174 HE2 TYR 21 HE2 TYR 21 -4.353 -9.154 4.122
175 HH TYR 21 HH TYR 21 -5.180 -7.357 5.200
176 H GLY 22 HN GLY 22 3.456 -9.055 2.506
177 1HA GLY 22 HA1 GLY 22 5.101 -10.554 2.360
178 2HA GLY 22 HA2 GLY 22 3.999 -11.837 1.769
179 H SER 23 HN SER 23 3.123 -11.531 -0.464
180 HA SER 23 HA SER 23 4.751 -10.012 -2.330
181 1HB SER 23 HB2 SER 23 4.572 -13.104 -2.421
182 2HB SER 23 HB3 SER 23 5.191 -12.064 -3.765
183 HG SER 23 HG SER 23 6.776 -11.324 -2.329
184 H SER 24 HN SER 24 1.915 -11.508 -1.143
185 HA SER 24 HA SER 24 0.384 -11.183 -3.629
186 1HB SER 24 HB2 SER 24 0.310 -13.407 -2.452
187 2HB SER 24 HB3 SER 24 -0.385 -12.612 -1.006
188 HG SER 24 HG SER 24 -1.458 -12.640 -3.646
189 H ALA 25 HN ALA 25 0.795 -8.756 -3.250
190 HA ALA 25 HA ALA 25 -1.056 -7.581 -1.282
191 1HB ALA 25 HB2 ALA 25 1.765 -6.614 -2.121
192 2HB ALA 25 HB3 ALA 25 0.623 -5.703 -1.076
193 3HB ALA 25 HB1 ALA 25 1.309 -7.266 -0.514
194 H GLY 26 HN GLY 26 -2.613 -6.441 -2.320
195 1HA GLY 26 HA1 GLY 26 -2.176 -5.405 -5.035
196 2HA GLY 26 HA2 GLY 26 -3.708 -5.614 -4.104
197 H ALA 27 HN ALA 27 -0.684 -3.737 -4.369
198 HA ALA 27 HA ALA 27 -1.433 -1.924 -2.242
199 1HB ALA 27 HB3 ALA 27 1.112 -2.178 -3.963
200 2HB ALA 27 HB1 ALA 27 0.891 -1.051 -2.569
201 3HB ALA 27 HB2 ALA 27 0.864 -2.827 -2.309
202 H LYS 28 HN LYS 28 -2.595 -0.085 -2.670
203 HA LYS 28 HA LYS 28 -2.541 1.066 -5.389
204 1HB LYS 28 HB2 LYS 28 -4.861 0.932 -3.369
205 2HB LYS 28 HB3 LYS 28 -4.961 1.569 -5.056
206 1HG LYS 28 HG2 LYS 28 -4.320 -0.810 -5.825
207 2HG LYS 28 HG3 LYS 28 -4.573 -1.309 -4.109
208 1HD LYS 28 HD2 LYS 28 -6.927 -0.435 -4.226
209 2HD LYS 28 HD3 LYS 28 -6.670 0.015 -5.946
210 1HE LYS 28 HE2 LYS 28 -6.303 -2.386 -6.554
211 2HE LYS 28 HE3 LYS 28 -6.481 -2.868 -4.817
212 1HZ LYS 28 HZ3 LYS 28 -8.721 -2.009 -4.862
213 2HZ LYS 28 HZ1 LYS 28 -8.558 -1.558 -6.492
214 3HZ LYS 28 HZ2 LYS 28 -8.493 -3.197 -6.054
215 H CYS 29 HN CYS 29 -2.392 3.243 -5.467
216 HA CYS 29 HA CYS 29 -2.072 4.752 -2.940
217 1HB CYS 29 HB2 CYS 29 0.121 4.350 -4.076
218 2HB CYS 29 HB3 CYS 29 -0.490 5.139 -5.552
219 H MET 30 HN MET 30 -3.844 5.957 -2.757
220 HA MET 30 HA MET 30 -4.994 7.328 -5.099
221 1HB MET 30 HB2 MET 30 -6.347 6.249 -2.561
222 2HB MET 30 HB3 MET 30 -7.156 7.358 -3.716
223 1HG MET 30 HG2 MET 30 -6.119 4.525 -4.270
224 2HG MET 30 HG3 MET 30 -7.821 5.038 -4.082
225 1HE MET 30 HE2 MET 30 -9.181 6.442 -5.722
226 2HE MET 30 HE3 MET 30 -7.990 7.790 -5.772
227 3HE MET 30 HE1 MET 30 -8.609 7.084 -7.299
228 H ASN 31 HN ASN 31 -4.522 9.619 -4.891
229 HA ASN 31 HA ASN 31 -4.353 11.602 -4.097
230 1HB ASN 31 HB2 ASN 31 -5.072 10.651 -1.269
231 2HB ASN 31 HB3 ASN 31 -4.924 12.356 -1.824
232 1HD2 ASN 31 HD22 ASN 31 -8.433 10.407 -2.323
233 2HD2 ASN 31 HD21 ASN 31 -7.143 9.858 -1.305
234 H GLY 32 HN GLY 32 -3.171 10.165 -1.094
235 1HA GLY 32 HA1 GLY 32 -0.565 9.706 -1.901
236 2HA GLY 32 HA2 GLY 32 -0.674 11.277 -0.972
237 H LYS 33 HN LYS 33 -2.293 8.037 -0.905
238 HA LYS 33 HA LYS 33 -1.361 7.422 1.749
239 1HB LYS 33 HB2 LYS 33 -4.358 7.955 1.242
240 2HB LYS 33 HB3 LYS 33 -3.746 6.883 2.552
241 1HG LYS 33 HG2 LYS 33 -2.316 8.835 3.362
242 2HG LYS 33 HG3 LYS 33 -3.258 9.885 2.258
243 1HD LYS 33 HD2 LYS 33 -4.203 10.063 4.485
244 2HD LYS 33 HD3 LYS 33 -5.385 9.249 3.406
245 1HE LYS 33 HE2 LYS 33 -5.280 8.221 5.712
246 2HE LYS 33 HE3 LYS 33 -4.832 7.030 4.432
247 1HZ LYS 33 HZ3 LYS 33 -2.941 8.580 6.122
248 2HZ LYS 33 HZ1 LYS 33 -3.353 6.941 6.299
249 3HZ LYS 33 HZ2 LYS 33 -2.519 7.464 4.915
250 H CYS 34 HN CYS 34 -1.683 5.233 2.172
251 HA CYS 34 HA CYS 34 -1.630 3.640 -0.269
252 1HB CYS 34 HB2 CYS 34 0.455 3.977 1.008
253 2HB CYS 34 HB3 CYS 34 -0.336 3.421 2.505
254 H LYS 35 HN LYS 35 -2.721 1.745 -0.471
255 HA LYS 35 HA LYS 35 -4.435 0.746 1.713
256 1HB LYS 35 HB2 LYS 35 -4.923 0.948 -1.325
257 2HB LYS 35 HB3 LYS 35 -5.908 -0.070 -0.220
258 1HG LYS 35 HG2 LYS 35 -6.425 1.973 1.127
259 2HG LYS 35 HG3 LYS 35 -5.633 3.000 -0.117
260 1HD LYS 35 HD2 LYS 35 -7.934 1.046 -0.690
261 2HD LYS 35 HD3 LYS 35 -8.194 2.777 -0.252
262 1HE LYS 35 HE2 LYS 35 -6.893 3.477 -2.292
263 2HE LYS 35 HE3 LYS 35 -6.692 1.736 -2.750
264 1HZ LYS 35 HZ1 LYS 35 -9.273 3.166 -2.438
265 2HZ LYS 35 HZ2 LYS 35 -8.510 2.757 -3.900
266 3HZ LYS 35 HZ3 LYS 35 -9.073 1.534 -2.863
267 H CYS 36 HN CYS 36 -4.337 -1.476 1.994
268 HA CYS 36 HA CYS 36 -2.521 -3.033 0.238
269 1HB CYS 36 HB2 CYS 36 -2.859 -3.418 3.270
270 2HB CYS 36 HB3 CYS 36 -1.784 -4.363 2.086
271 H TYR 37 HN TYR 37 -3.643 -4.540 -0.850
272 HA TYR 37 HA TYR 37 -5.938 -5.858 0.407
273 1HB TYR 37 HB2 TYR 37 -5.338 -4.996 -2.509
274 2HB TYR 37 HB3 TYR 37 -6.673 -6.084 -2.042
275 HD1 TYR 37 HD1 TYR 37 -8.254 -5.205 -0.127
276 HD2 TYR 37 HD2 TYR 37 -5.769 -2.617 -2.509
277 HE1 TYR 37 HE1 TYR 37 -9.719 -3.295 0.396
278 HE2 TYR 37 HE2 TYR 37 -7.263 -0.745 -2.072
279 HH TYR 37 HH TYR 37 -9.175 -0.053 -0.997
280 H ASN 38 HN ASN 38 -5.763 -7.677 -2.013
281 HA ASN 38 HA ASN 38 -3.228 -9.104 -1.586
282 1HB ASN 38 HB2 ASN 38 -6.082 -10.299 -1.463
283 2HB ASN 38 HB3 ASN 38 -4.612 -11.301 -1.762
284 1HD2 ASN 38 HD22 ASN 38 -3.364 -11.216 1.558
285 2HD2 ASN 38 HD21 ASN 38 -2.990 -11.503 -0.110
286 H ASN 39 HN ASN 39 -2.698 -10.415 -3.467
287 HA ASN 39 HA ASN 39 -3.874 -9.507 -5.989
288 1HB ASN 39 HB2 ASN 39 -1.477 -11.325 -5.326
289 2HB ASN 39 HB3 ASN 39 -2.070 -10.997 -6.999
290 1HD2 ASN 39 HD22 ASN 39 0.770 -8.618 -5.917
291 2HD2 ASN 39 HD21 ASN 39 0.570 -10.325 -5.696
292 1H NH2 40 HT1 ASN 39 -5.425 -10.737 -6.989
293 2H NH2 40 HT2 ASN 39 -5.803 -12.388 -6.620
No H/Q in entry = 293
Start of MODEL 4
1 1H THR 1 HN2 THR 1 -8.524 -3.621 2.512
2 2H THR 1 HN THR 1 -6.950 -4.220 2.738
3 3H THR 1 HN3 THR 1 -8.238 -4.853 3.647
4 HA THR 1 HA THR 1 -8.578 -2.775 4.697
5 HB THR 1 HB THR 1 -6.559 -2.694 6.164
6 HG1 THR 1 HG1 THR 1 -4.904 -4.154 5.722
7 1HG2 THR 1 HG21 THR 1 -8.352 -4.427 6.441
8 2HG2 THR 1 HG22 THR 1 -7.437 -5.551 5.367
9 3HG2 THR 1 HG23 THR 1 -6.729 -5.029 6.938
10 H ILE 2 HN ILE 2 -7.613 -0.639 5.370
11 HA ILE 2 HA ILE 2 -6.197 0.772 3.232
12 HB ILE 2 HB ILE 2 -8.455 1.817 5.042
13 1HG1 ILE 2 HG12 ILE 2 -8.498 1.075 2.050
14 2HG1 ILE 2 HG13 ILE 2 -9.402 0.289 3.372
15 1HG2 ILE 2 HG21 ILE 2 -6.790 3.129 2.786
16 2HG2 ILE 2 HG22 ILE 2 -8.197 3.891 3.618
17 3HG2 ILE 2 HG23 ILE 2 -6.714 3.528 4.540
18 1HD1 ILE 2 HD12 ILE 2 -10.650 2.449 3.796
19 2HD1 ILE 2 HD13 ILE 2 -9.835 3.164 2.352
20 3HD1 ILE 2 HD11 ILE 2 -10.923 1.747 2.158
21 H ILE 3 HN ILE 3 -4.198 1.233 4.045
22 HA ILE 3 HA ILE 3 -3.805 1.494 6.956
23 HB ILE 3 HB ILE 3 -1.544 1.032 6.716
24 1HG1 ILE 3 HG12 ILE 3 -2.012 0.344 3.750
25 2HG1 ILE 3 HG13 ILE 3 -1.250 1.880 4.287
26 1HG2 ILE 3 HG21 ILE 3 -3.309 -0.724 7.121
27 2HG2 ILE 3 HG22 ILE 3 -3.317 -1.100 5.356
28 3HG2 ILE 3 HG23 ILE 3 -1.834 -1.375 6.331
29 1HD1 ILE 3 HD12 ILE 3 0.469 0.627 5.570
30 2HD1 ILE 3 HD13 ILE 3 -0.198 -0.937 4.970
31 3HD1 ILE 3 HD11 ILE 3 0.515 0.222 3.801
32 H ASN 4 HN ASN 4 -1.608 3.044 7.180
33 HA ASN 4 HA ASN 4 -2.242 5.602 5.833
34 1HB ASN 4 HB2 ASN 4 -1.694 5.176 8.843
35 2HB ASN 4 HB3 ASN 4 -1.795 6.777 8.013
36 1HD2 ASN 4 HD22 ASN 4 -5.191 4.960 9.297
37 2HD2 ASN 4 HD21 ASN 4 -3.597 4.441 9.731
38 H VAL 5 HN VAL 5 -0.528 4.861 4.398
39 HA VAL 5 HA VAL 5 2.065 5.804 5.380
40 HB VAL 5 HB VAL 5 1.514 3.321 3.670
41 1HG1 VAL 5 HG12 VAL 5 4.086 5.038 3.691
42 2HG1 VAL 5 HG13 VAL 5 4.043 3.312 3.193
43 3HG1 VAL 5 HG11 VAL 5 3.106 4.499 2.258
44 1HG2 VAL 5 HG23 VAL 5 3.295 3.898 6.126
45 2HG2 VAL 5 HG21 VAL 5 1.764 2.941 6.099
46 3HG2 VAL 5 HG22 VAL 5 3.222 2.330 5.246
47 H LYS 6 HN LYS 6 2.700 7.518 4.265
48 HA LYS 6 HA LYS 6 0.926 8.601 2.317
49 1HB LYS 6 HB2 LYS 6 3.616 9.725 3.318
50 2HB LYS 6 HB3 LYS 6 2.306 10.634 2.478
51 1HG LYS 6 HG2 LYS 6 2.147 9.330 5.270
52 2HG LYS 6 HG3 LYS 6 2.441 11.062 4.922
53 1HD LYS 6 HD2 LYS 6 0.216 11.284 3.866
54 2HD LYS 6 HD3 LYS 6 -0.137 9.547 4.157
55 1HE LYS 6 HE2 LYS 6 0.454 11.607 6.397
56 2HE LYS 6 HE3 LYS 6 -1.198 11.089 5.873
57 1HZ LYS 6 HZ2 LYS 6 -0.629 8.835 6.465
58 2HZ LYS 6 HZ3 LYS 6 0.925 9.312 6.955
59 3HZ LYS 6 HZ1 LYS 6 -0.441 9.884 7.788
60 H CYS 7 HN CYS 7 1.341 8.824 0.041
61 HA CYS 7 HA CYS 7 3.827 7.699 -1.055
62 1HB CYS 7 HB2 CYS 7 2.706 6.015 -2.340
63 2HB CYS 7 HB3 CYS 7 2.252 5.837 -0.584
64 H THR 8 HN THR 8 3.743 7.885 -3.513
65 HA THR 8 HA THR 8 1.861 9.671 -4.663
66 HB THR 8 HB THR 8 3.442 11.335 -3.715
67 HG1 THR 8 HG1 THR 8 3.545 11.128 -6.522
68 1HG2 THR 8 HG22 THR 8 5.539 9.965 -3.733
69 2HG2 THR 8 HG23 THR 8 5.598 10.054 -5.533
70 3HG2 THR 8 HG21 THR 8 5.750 11.549 -4.549
71 H SER 9 HN SER 9 2.669 6.862 -4.622
72 HA SER 9 HA SER 9 2.800 6.290 -7.336
73 1HB SER 9 HB2 SER 9 4.995 5.078 -7.467
74 2HB SER 9 HB3 SER 9 5.233 6.829 -7.122
75 HG SER 9 HG SER 9 6.560 5.554 -5.910
76 HA PRO 10 HA PRO 10 1.224 2.682 -5.011
77 1HB PRO 10 HB2 PRO 10 1.626 1.156 -7.629
78 2HB PRO 10 HB3 PRO 10 0.211 1.202 -6.512
79 1HG PRO 10 HG2 PRO 10 0.223 2.641 -8.850
80 2HG PRO 10 HG3 PRO 10 -0.422 3.395 -7.331
81 1HD PRO 10 HD2 PRO 10 2.391 3.711 -8.548
82 2HD PRO 10 HD3 PRO 10 1.232 4.997 -7.969
83 H LYS 11 HN LYS 11 4.384 2.603 -6.644
84 HA LYS 11 HA LYS 11 5.383 0.297 -5.297
85 1HB LYS 11 HB2 LYS 11 6.873 2.530 -6.770
86 2HB LYS 11 HB3 LYS 11 7.560 0.935 -6.286
87 1HG LYS 11 HG2 LYS 11 5.285 1.401 -8.312
88 2HG LYS 11 HG3 LYS 11 7.005 1.047 -8.677
89 1HD LYS 11 HD2 LYS 11 6.790 -1.190 -7.549
90 2HD LYS 11 HD3 LYS 11 5.066 -0.837 -7.185
91 1HE LYS 11 HE2 LYS 11 5.209 -2.303 -9.162
92 2HE LYS 11 HE3 LYS 11 4.565 -0.683 -9.651
93 1HZ LYS 11 HZ1 LYS 11 6.773 -0.105 -10.409
94 2HZ LYS 11 HZ2 LYS 11 7.370 -1.629 -9.952
95 3HZ LYS 11 HZ3 LYS 11 6.202 -1.507 -11.181
96 H GLN 12 HN GLN 12 4.772 3.498 -4.086
97 HA GLN 12 HA GLN 12 6.758 3.356 -1.987
98 1HB GLN 12 HB2 GLN 12 6.376 5.457 -3.177
99 2HB GLN 12 HB3 GLN 12 4.703 5.471 -2.750
100 1HG GLN 12 HG2 GLN 12 5.349 5.822 -0.318
101 2HG GLN 12 HG3 GLN 12 7.071 5.442 -0.717
102 1HE2 GLN 12 HE22 GLN 12 6.927 9.126 -0.453
103 2HE2 GLN 12 HE21 GLN 12 6.801 7.741 0.579
104 H CYS 13 HN CYS 13 3.820 1.942 -2.734
105 HA CYS 13 HA CYS 13 2.845 1.811 0.029
106 1HB CYS 13 HB2 CYS 13 1.305 3.022 -1.534
107 2HB CYS 13 HB3 CYS 13 1.393 1.690 -2.706
108 H SER 14 HN SER 14 4.358 0.095 -2.674
109 HA SER 14 HA SER 14 3.505 -2.546 -1.867
110 1HB SER 14 HB2 SER 14 5.644 -1.568 -3.865
111 2HB SER 14 HB3 SER 14 5.168 -3.294 -3.620
112 HG SER 14 HG SER 14 4.133 -2.320 -5.346
113 H LYS 15 HN LYS 15 5.556 -0.263 -0.502
114 HA LYS 15 HA LYS 15 7.654 -1.907 0.475
115 1HB LYS 15 HB2 LYS 15 6.718 0.973 0.617
116 2HB LYS 15 HB3 LYS 15 7.889 0.383 1.828
117 1HG LYS 15 HG2 LYS 15 9.461 -0.226 -0.018
118 2HG LYS 15 HG3 LYS 15 8.194 0.195 -1.228
119 1HD LYS 15 HD2 LYS 15 9.803 2.001 -1.141
120 2HD LYS 15 HD3 LYS 15 8.230 2.570 -0.480
121 1HE LYS 15 HE2 LYS 15 9.127 2.343 1.868
122 2HE LYS 15 HE3 LYS 15 10.700 1.741 1.200
123 1HZ LYS 15 HZ1 LYS 15 10.946 3.838 0.055
124 2HZ LYS 15 HZ2 LYS 15 9.469 4.397 0.680
125 3HZ LYS 15 HZ3 LYS 15 10.764 4.068 1.728
126 HA PRO 16 HA PRO 16 5.113 -1.740 4.555
127 1HB PRO 16 HB2 PRO 16 2.597 -0.578 4.651
128 2HB PRO 16 HB3 PRO 16 4.149 0.310 4.929
129 1HG PRO 16 HG2 PRO 16 2.552 -0.111 2.393
130 2HG PRO 16 HG3 PRO 16 3.017 1.496 3.073
131 1HD PRO 16 HD2 PRO 16 4.547 0.393 1.136
132 2HD PRO 16 HD3 PRO 16 5.397 1.066 2.560
133 H CYS 17 HN CYS 17 2.848 -2.119 1.703
134 HA CYS 17 HA CYS 17 1.276 -4.074 2.804
135 1HB CYS 17 HB2 CYS 17 1.704 -3.474 -0.178
136 2HB CYS 17 HB3 CYS 17 0.353 -4.431 0.526
137 H LYS 18 HN LYS 18 4.348 -4.414 0.854
138 HA LYS 18 HA LYS 18 4.057 -7.315 0.769
139 1HB LYS 18 HB2 LYS 18 6.220 -5.510 -0.357
140 2HB LYS 18 HB3 LYS 18 6.199 -7.306 -0.474
141 1HG LYS 18 HG2 LYS 18 3.926 -7.206 -1.501
142 2HG LYS 18 HG3 LYS 18 4.031 -5.410 -1.513
143 1HD LYS 18 HD2 LYS 18 5.938 -5.494 -3.089
144 2HD LYS 18 HD3 LYS 18 6.041 -7.282 -2.925
145 1HE LYS 18 HE2 LYS 18 4.933 -6.647 -5.076
146 2HE LYS 18 HE3 LYS 18 3.803 -7.562 -3.996
147 1HZ LYS 18 HZ1 LYS 18 3.887 -4.609 -4.338
148 2HZ LYS 18 HZ2 LYS 18 2.754 -5.677 -5.018
149 3HZ LYS 18 HZ3 LYS 18 2.827 -5.475 -3.334
150 H GLU 19 HN GLU 19 5.197 -5.001 2.991
151 HA GLU 19 HA GLU 19 6.848 -6.910 4.458
152 1HB GLU 19 HB2 GLU 19 7.345 -4.448 4.405
153 2HB GLU 19 HB3 GLU 19 5.855 -4.145 5.331
154 1HG GLU 19 HG2 GLU 19 7.834 -4.085 6.795
155 2HG GLU 19 HG3 GLU 19 6.787 -5.464 7.269
156 H LEU 20 HN LEU 20 3.493 -6.021 4.187
157 HA LEU 20 HA LEU 20 2.630 -7.220 6.700
158 1HB LEU 20 HB2 LEU 20 1.245 -5.706 4.419
159 2HB LEU 20 HB3 LEU 20 0.283 -6.524 5.727
160 HG LEU 20 HG LEU 20 2.186 -4.185 6.040
161 1HD1 LEU 20 HD12 LEU 20 0.005 -3.655 5.017
162 2HD1 LEU 20 HD13 LEU 20 -0.854 -4.413 6.408
163 3HD1 LEU 20 HD11 LEU 20 0.151 -2.936 6.663
164 1HD2 LEU 20 HD22 LEU 20 0.619 -5.700 8.226
165 2HD2 LEU 20 HD23 LEU 20 2.415 -5.580 8.085
166 3HD2 LEU 20 HD21 LEU 20 1.444 -4.111 8.446
167 H TYR 21 HN TYR 21 1.663 -7.530 3.239
168 HA TYR 21 HA TYR 21 0.411 -10.087 3.736
169 1HB TYR 21 HB2 TYR 21 0.174 -8.026 1.465
170 2HB TYR 21 HB3 TYR 21 -0.702 -9.602 1.477
171 HD1 TYR 21 HD1 TYR 21 -0.485 -6.252 3.155
172 HD2 TYR 21 HD2 TYR 21 -2.409 -10.100 3.054
173 HE1 TYR 21 HE1 TYR 21 -2.285 -5.395 4.601
174 HE2 TYR 21 HE2 TYR 21 -4.219 -9.237 4.487
175 HH TYR 21 HH TYR 21 -5.023 -7.486 5.632
176 H GLY 22 HN GLY 22 3.432 -9.015 2.500
177 1HA GLY 22 HA1 GLY 22 5.084 -10.470 2.263
178 2HA GLY 22 HA2 GLY 22 3.975 -11.778 1.748
179 H SER 23 HN SER 23 3.012 -11.535 -0.450
180 HA SER 23 HA SER 23 4.557 -10.079 -2.430
181 1HB SER 23 HB2 SER 23 4.408 -13.173 -2.395
182 2HB SER 23 HB3 SER 23 4.970 -12.184 -3.800
183 HG SER 23 HG SER 23 6.117 -12.223 -1.217
184 H SER 24 HN SER 24 1.765 -11.464 -1.069
185 HA SER 24 HA SER 24 0.150 -11.248 -3.519
186 1HB SER 24 HB2 SER 24 0.087 -13.430 -2.250
187 2HB SER 24 HB3 SER 24 -0.544 -12.563 -0.814
188 HG SER 24 HG SER 24 -2.302 -11.915 -2.171
189 H ALA 25 HN ALA 25 0.704 -8.831 -3.189
190 HA ALA 25 HA ALA 25 -1.082 -7.529 -1.239
191 1HB ALA 25 HB3 ALA 25 1.745 -6.703 -2.179
192 2HB ALA 25 HB1 ALA 25 0.658 -5.677 -1.186
193 3HB ALA 25 HB2 ALA 25 1.280 -7.232 -0.527
194 H GLY 26 HN GLY 26 -2.623 -6.360 -2.246
195 1HA GLY 26 HA1 GLY 26 -2.218 -5.378 -4.992
196 2HA GLY 26 HA2 GLY 26 -3.743 -5.563 -4.040
197 H ALA 27 HN ALA 27 -0.717 -3.727 -4.384
198 HA ALA 27 HA ALA 27 -1.406 -1.914 -2.232
199 1HB ALA 27 HB3 ALA 27 1.115 -2.243 -3.976
200 2HB ALA 27 HB1 ALA 27 0.945 -1.088 -2.599
201 3HB ALA 27 HB2 ALA 27 0.874 -2.858 -2.308
202 H LYS 28 HN LYS 28 -2.616 -0.135 -2.684
203 HA LYS 28 HA LYS 28 -2.517 1.071 -5.378
204 1HB LYS 28 HB2 LYS 28 -4.865 0.872 -3.397
205 2HB LYS 28 HB3 LYS 28 -4.940 1.549 -5.078
206 1HG LYS 28 HG2 LYS 28 -4.267 -0.813 -5.879
207 2HG LYS 28 HG3 LYS 28 -4.542 -1.347 -4.177
208 1HD LYS 28 HD2 LYS 28 -6.900 -0.489 -4.314
209 2HD LYS 28 HD3 LYS 28 -6.624 -0.023 -6.028
210 1HE LYS 28 HE2 LYS 28 -6.212 -2.421 -6.641
211 2HE LYS 28 HE3 LYS 28 -6.417 -2.910 -4.910
212 1HZ LYS 28 HZ1 LYS 28 -8.666 -2.081 -4.997
213 2HZ LYS 28 HZ2 LYS 28 -8.478 -1.620 -6.620
214 3HZ LYS 28 HZ3 LYS 28 -8.401 -3.261 -6.189
215 H CYS 29 HN CYS 29 -2.472 3.279 -5.430
216 HA CYS 29 HA CYS 29 -2.177 4.747 -2.881
217 1HB CYS 29 HB2 CYS 29 0.085 4.312 -3.847
218 2HB CYS 29 HB3 CYS 29 -0.422 5.015 -5.403
219 H MET 30 HN MET 30 -3.976 5.976 -2.838
220 HA MET 30 HA MET 30 -4.796 7.491 -5.235
221 1HB MET 30 HB2 MET 30 -6.459 6.218 -3.015
222 2HB MET 30 HB3 MET 30 -7.065 7.674 -3.844
223 1HG MET 30 HG2 MET 30 -8.086 5.865 -4.897
224 2HG MET 30 HG3 MET 30 -6.926 6.598 -6.043
225 1HE MET 30 HE3 MET 30 -8.484 3.885 -6.428
226 2HE MET 30 HE1 MET 30 -7.346 4.598 -7.624
227 3HE MET 30 HE2 MET 30 -7.202 2.866 -7.167
228 H ASN 31 HN ASN 31 -4.297 9.770 -4.862
229 HA ASN 31 HA ASN 31 -4.208 11.699 -3.938
230 1HB ASN 31 HB2 ASN 31 -5.095 10.573 -1.225
231 2HB ASN 31 HB3 ASN 31 -4.912 12.310 -1.657
232 1HD2 ASN 31 HD22 ASN 31 -8.388 10.420 -2.489
233 2HD2 ASN 31 HD21 ASN 31 -7.164 9.800 -1.432
234 H GLY 32 HN GLY 32 -3.202 10.109 -0.947
235 1HA GLY 32 HA1 GLY 32 -0.560 9.688 -1.625
236 2HA GLY 32 HA2 GLY 32 -0.714 11.233 -0.663
237 H LYS 33 HN LYS 33 -2.350 7.998 -0.733
238 HA LYS 33 HA LYS 33 -1.321 7.259 1.836
239 1HB LYS 33 HB2 LYS 33 -4.311 7.881 1.584
240 2HB LYS 33 HB3 LYS 33 -3.689 6.634 2.725
241 1HG LYS 33 HG2 LYS 33 -2.083 8.395 3.657
242 2HG LYS 33 HG3 LYS 33 -3.086 9.616 2.806
243 1HD LYS 33 HD2 LYS 33 -5.145 8.773 3.990
244 2HD LYS 33 HD3 LYS 33 -4.145 7.540 4.831
245 1HE LYS 33 HE2 LYS 33 -4.606 9.448 6.347
246 2HE LYS 33 HE3 LYS 33 -2.838 9.366 5.973
247 1HZ LYS 33 HZ3 LYS 33 -4.828 11.163 4.684
248 2HZ LYS 33 HZ1 LYS 33 -3.687 11.597 5.865
249 3HZ LYS 33 HZ2 LYS 33 -3.169 11.091 4.329
250 H CYS 34 HN CYS 34 -1.727 5.070 2.252
251 HA CYS 34 HA CYS 34 -1.666 3.537 -0.227
252 1HB CYS 34 HB2 CYS 34 0.408 3.799 1.073
253 2HB CYS 34 HB3 CYS 34 -0.403 3.251 2.561
254 H LYS 35 HN LYS 35 -2.774 1.642 -0.462
255 HA LYS 35 HA LYS 35 -4.487 0.620 1.724
256 1HB LYS 35 HB2 LYS 35 -4.981 0.951 -1.291
257 2HB LYS 35 HB3 LYS 35 -5.942 -0.188 -0.285
258 1HG LYS 35 HG2 LYS 35 -6.719 1.605 1.146
259 2HG LYS 35 HG3 LYS 35 -5.733 2.826 0.298
260 1HD LYS 35 HD2 LYS 35 -7.972 1.143 -0.992
261 2HD LYS 35 HD3 LYS 35 -8.182 2.817 -0.346
262 1HE LYS 35 HE2 LYS 35 -6.529 1.897 -2.778
263 2HE LYS 35 HE3 LYS 35 -7.935 3.025 -2.752
264 1HZ LYS 35 HZ3 LYS 35 -5.263 3.514 -1.537
265 2HZ LYS 35 HZ1 LYS 35 -5.856 4.178 -2.984
266 3HZ LYS 35 HZ2 LYS 35 -6.584 4.581 -1.505
267 H CYS 36 HN CYS 36 -4.283 -1.580 2.059
268 HA CYS 36 HA CYS 36 -2.534 -3.116 0.223
269 1HB CYS 36 HB2 CYS 36 -2.839 -3.551 3.255
270 2HB CYS 36 HB3 CYS 36 -1.761 -4.458 2.042
271 H TYR 37 HN TYR 37 -3.689 -4.582 -0.876
272 HA TYR 37 HA TYR 37 -6.008 -5.876 0.362
273 1HB TYR 37 HB2 TYR 37 -5.338 -5.012 -2.536
274 2HB TYR 37 HB3 TYR 37 -6.697 -6.089 -2.113
275 HD1 TYR 37 HD2 TYR 37 -8.278 -5.194 -0.177
276 HD2 TYR 37 HD1 TYR 37 -5.769 -2.618 -2.562
277 HE1 TYR 37 HE2 TYR 37 -9.724 -3.265 0.351
278 HE2 TYR 37 HE1 TYR 37 -7.262 -0.753 -2.145
279 HH TYR 37 HH TYR 37 -10.170 -1.129 -0.006
280 H ASN 38 HN ASN 38 -6.066 -7.893 -1.695
281 HA ASN 38 HA ASN 38 -3.516 -9.344 -1.343
282 1HB ASN 38 HB2 ASN 38 -6.379 -10.389 -0.826
283 2HB ASN 38 HB3 ASN 38 -4.968 -11.474 -1.128
284 1HD2 ASN 38 HD22 ASN 38 -5.438 -9.701 2.554
285 2HD2 ASN 38 HD21 ASN 38 -6.535 -9.380 1.253
286 H ASN 39 HN ASN 39 -2.889 -8.861 -3.467
287 HA ASN 39 HA ASN 39 -4.343 -10.348 -5.537
288 1HB ASN 39 HB2 ASN 39 -3.318 -7.451 -5.848
289 2HB ASN 39 HB3 ASN 39 -3.750 -8.542 -7.213
290 1HD2 ASN 39 HD22 ASN 39 -6.681 -6.416 -5.359
291 2HD2 ASN 39 HD21 ASN 39 -4.988 -6.140 -5.112
292 1H NH2 40 HT1 ASN 39 -1.095 -11.707 -5.730
293 2H NH2 40 HT2 ASN 39 -2.774 -11.974 -5.392
No H/Q in entry = 293
Start of MODEL 5
1 1H THR 1 HN2 THR 1 -5.984 -3.611 4.403
2 2H THR 1 HN THR 1 -7.184 -2.980 5.427
3 3H THR 1 HN3 THR 1 -7.358 -4.540 4.777
4 HA THR 1 HA THR 1 -7.469 -3.662 2.593
5 HB THR 1 HB THR 1 -9.719 -2.517 2.692
6 HG1 THR 1 HG1 THR 1 -9.397 -1.458 4.694
7 1HG2 THR 1 HG23 THR 1 -9.397 -4.998 2.646
8 2HG2 THR 1 HG21 THR 1 -9.325 -5.033 4.448
9 3HG2 THR 1 HG22 THR 1 -10.839 -4.523 3.615
10 H ILE 2 HN ILE 2 -7.535 -0.877 4.943
11 HA ILE 2 HA ILE 2 -6.112 0.789 3.009
12 HB ILE 2 HB ILE 2 -8.401 1.631 4.884
13 1HG1 ILE 2 HG12 ILE 2 -8.376 1.258 1.827
14 2HG1 ILE 2 HG13 ILE 2 -9.325 0.326 3.021
15 1HG2 ILE 2 HG22 ILE 2 -6.669 3.178 2.835
16 2HG2 ILE 2 HG23 ILE 2 -8.099 3.856 3.703
17 3HG2 ILE 2 HG21 ILE 2 -6.650 3.379 4.624
18 1HD1 ILE 2 HD12 ILE 2 -10.566 2.433 3.672
19 2HD1 ILE 2 HD13 ILE 2 -9.711 3.306 2.339
20 3HD1 ILE 2 HD11 ILE 2 -10.804 1.931 1.956
21 H ILE 3 HN ILE 3 -4.198 1.414 3.907
22 HA ILE 3 HA ILE 3 -3.891 1.485 6.846
23 HB ILE 3 HB ILE 3 -1.598 1.077 6.687
24 1HG1 ILE 3 HG12 ILE 3 -1.971 0.382 3.706
25 2HG1 ILE 3 HG13 ILE 3 -1.240 1.922 4.273
26 1HG2 ILE 3 HG22 ILE 3 -3.331 -0.713 7.053
27 2HG2 ILE 3 HG23 ILE 3 -3.264 -1.110 5.293
28 3HG2 ILE 3 HG21 ILE 3 -1.809 -1.327 6.327
29 1HD1 ILE 3 HD11 ILE 3 0.434 0.651 5.624
30 2HD1 ILE 3 HD12 ILE 3 -0.178 -0.897 4.927
31 3HD1 ILE 3 HD13 ILE 3 0.568 0.325 3.843
32 H ASN 4 HN ASN 4 -1.610 3.068 6.994
33 HA ASN 4 HA ASN 4 -2.230 5.550 5.565
34 1HB ASN 4 HB2 ASN 4 -1.948 6.878 7.692
35 2HB ASN 4 HB3 ASN 4 -3.465 5.955 7.542
36 1HD2 ASN 4 HD22 ASN 4 -2.905 3.768 10.312
37 2HD2 ASN 4 HD21 ASN 4 -3.772 3.984 8.829
38 H VAL 5 HN VAL 5 -0.481 4.853 4.249
39 HA VAL 5 HA VAL 5 2.086 5.782 5.326
40 HB VAL 5 HB VAL 5 1.558 3.329 3.569
41 1HG1 VAL 5 HG12 VAL 5 4.160 4.994 3.713
42 2HG1 VAL 5 HG13 VAL 5 4.090 3.281 3.164
43 3HG1 VAL 5 HG11 VAL 5 3.216 4.517 2.235
44 1HG2 VAL 5 HG23 VAL 5 3.259 3.846 6.093
45 2HG2 VAL 5 HG21 VAL 5 1.712 2.919 6.001
46 3HG2 VAL 5 HG22 VAL 5 3.187 2.291 5.191
47 H LYS 6 HN LYS 6 2.743 7.531 4.244
48 HA LYS 6 HA LYS 6 1.034 8.658 2.287
49 1HB LYS 6 HB2 LYS 6 3.737 9.652 3.357
50 2HB LYS 6 HB3 LYS 6 2.564 10.634 2.419
51 1HG LYS 6 HG2 LYS 6 2.068 9.395 5.201
52 2HG LYS 6 HG3 LYS 6 2.571 11.084 4.885
53 1HD LYS 6 HD2 LYS 6 -0.072 9.841 3.903
54 2HD LYS 6 HD3 LYS 6 0.132 10.810 5.399
55 1HE LYS 6 HE2 LYS 6 0.856 12.801 4.068
56 2HE LYS 6 HE3 LYS 6 0.672 11.857 2.533
57 1HZ LYS 6 HZ1 LYS 6 -1.486 12.458 4.483
58 2HZ LYS 6 HZ2 LYS 6 -1.228 13.219 2.988
59 3HZ LYS 6 HZ3 LYS 6 -1.651 11.575 3.041
60 H CYS 7 HN CYS 7 1.417 8.954 0.031
61 HA CYS 7 HA CYS 7 3.818 7.777 -1.160
62 1HB CYS 7 HB2 CYS 7 2.672 6.072 -2.372
63 2HB CYS 7 HB3 CYS 7 2.215 5.924 -0.616
64 H THR 8 HN THR 8 3.738 8.015 -3.576
65 HA THR 8 HA THR 8 1.764 9.714 -4.715
66 HB THR 8 HB THR 8 3.316 11.427 -3.818
67 HG1 THR 8 HG1 THR 8 3.381 11.183 -6.622
68 1HG2 THR 8 HG23 THR 8 5.447 10.114 -3.847
69 2HG2 THR 8 HG21 THR 8 5.475 10.172 -5.650
70 3HG2 THR 8 HG22 THR 8 5.606 11.688 -4.695
71 H SER 9 HN SER 9 2.676 6.921 -4.643
72 HA SER 9 HA SER 9 2.750 6.328 -7.364
73 1HB SER 9 HB2 SER 9 4.967 5.173 -7.533
74 2HB SER 9 HB3 SER 9 5.178 6.925 -7.173
75 HG SER 9 HG SER 9 6.545 5.663 -5.994
76 HA PRO 10 HA PRO 10 1.309 2.675 -5.013
77 1HB PRO 10 HB2 PRO 10 1.737 1.144 -7.623
78 2HB PRO 10 HB3 PRO 10 0.325 1.162 -6.501
79 1HG PRO 10 HG2 PRO 10 0.291 2.581 -8.851
80 2HG PRO 10 HG3 PRO 10 -0.370 3.329 -7.336
81 1HD PRO 10 HD2 PRO 10 2.431 3.711 -8.561
82 2HD PRO 10 HD3 PRO 10 1.237 4.972 -7.997
83 H LYS 11 HN LYS 11 4.482 2.748 -6.596
84 HA LYS 11 HA LYS 11 5.532 0.469 -5.180
85 1HB LYS 11 HB2 LYS 11 6.959 2.617 -6.823
86 2HB LYS 11 HB3 LYS 11 7.674 1.067 -6.238
87 1HG LYS 11 HG2 LYS 11 5.367 1.380 -8.253
88 2HG LYS 11 HG3 LYS 11 7.073 0.972 -8.622
89 1HD LYS 11 HD2 LYS 11 6.883 -1.148 -7.331
90 2HD LYS 11 HD3 LYS 11 5.170 -0.783 -6.930
91 1HE LYS 11 HE2 LYS 11 6.268 -1.187 -9.791
92 2HE LYS 11 HE3 LYS 11 5.356 -2.410 -8.813
93 1HZ LYS 11 HZ2 LYS 11 3.492 -0.903 -8.756
94 2HZ LYS 11 HZ3 LYS 11 4.343 0.250 -9.668
95 3HZ LYS 11 HZ1 LYS 11 3.947 -1.252 -10.355
96 H GLN 12 HN GLN 12 4.557 3.400 -3.930
97 HA GLN 12 HA GLN 12 6.631 3.476 -1.868
98 1HB GLN 12 HB2 GLN 12 6.331 5.517 -3.260
99 2HB GLN 12 HB3 GLN 12 4.681 5.644 -2.777
100 1HG GLN 12 HG2 GLN 12 5.473 6.048 -0.364
101 2HG GLN 12 HG3 GLN 12 7.160 5.663 -0.876
102 1HE2 GLN 12 HE22 GLN 12 6.897 9.376 -0.746
103 2HE2 GLN 12 HE21 GLN 12 6.813 8.050 0.364
104 H CYS 13 HN CYS 13 4.320 1.645 -2.497
105 HA CYS 13 HA CYS 13 2.953 1.705 0.073
106 1HB CYS 13 HB2 CYS 13 1.472 2.968 -1.547
107 2HB CYS 13 HB3 CYS 13 1.572 1.632 -2.712
108 H SER 14 HN SER 14 4.427 -0.124 -2.679
109 HA SER 14 HA SER 14 3.450 -2.669 -1.827
110 1HB SER 14 HB2 SER 14 5.660 -1.808 -3.806
111 2HB SER 14 HB3 SER 14 5.067 -3.501 -3.582
112 HG SER 14 HG SER 14 4.122 -2.440 -5.310
113 H LYS 15 HN LYS 15 5.626 -0.495 -0.467
114 HA LYS 15 HA LYS 15 7.587 -2.290 0.540
115 1HB LYS 15 HB2 LYS 15 6.914 0.670 0.609
116 2HB LYS 15 HB3 LYS 15 8.052 0.016 1.814
117 1HG LYS 15 HG2 LYS 15 8.329 -0.197 -1.257
118 2HG LYS 15 HG3 LYS 15 9.108 1.049 -0.225
119 1HD LYS 15 HD2 LYS 15 10.369 -0.734 0.997
120 2HD LYS 15 HD3 LYS 15 9.641 -1.983 -0.077
121 1HE LYS 15 HE2 LYS 15 10.708 -0.896 -2.080
122 2HE LYS 15 HE3 LYS 15 11.448 0.357 -1.002
123 1HZ LYS 15 HZ1 LYS 15 11.920 -2.576 -0.868
124 2HZ LYS 15 HZ2 LYS 15 12.970 -1.409 -1.517
125 3HZ LYS 15 HZ3 LYS 15 12.614 -1.401 0.144
126 HA PRO 16 HA PRO 16 5.044 -1.823 4.598
127 1HB PRO 16 HB2 PRO 16 2.567 -0.563 4.588
128 2HB PRO 16 HB3 PRO 16 4.146 0.265 4.908
129 1HG PRO 16 HG2 PRO 16 2.625 -0.146 2.321
130 2HG PRO 16 HG3 PRO 16 3.118 1.456 2.993
131 1HD PRO 16 HD2 PRO 16 4.715 0.308 1.146
132 2HD PRO 16 HD3 PRO 16 5.491 0.924 2.641
133 H CYS 17 HN CYS 17 2.827 -2.198 1.706
134 HA CYS 17 HA CYS 17 1.163 -4.070 2.814
135 1HB CYS 17 HB2 CYS 17 1.706 -3.611 -0.178
136 2HB CYS 17 HB3 CYS 17 0.295 -4.478 0.531
137 H LYS 18 HN LYS 18 4.268 -4.562 0.965
138 HA LYS 18 HA LYS 18 3.909 -7.454 0.954
139 1HB LYS 18 HB2 LYS 18 6.125 -5.711 -0.169
140 2HB LYS 18 HB3 LYS 18 6.104 -7.512 -0.226
141 1HG LYS 18 HG2 LYS 18 3.867 -7.448 -1.322
142 2HG LYS 18 HG3 LYS 18 3.962 -5.651 -1.376
143 1HD LYS 18 HD2 LYS 18 5.923 -5.770 -2.892
144 2HD LYS 18 HD3 LYS 18 6.003 -7.556 -2.696
145 1HE LYS 18 HE2 LYS 18 4.962 -6.955 -4.886
146 2HE LYS 18 HE3 LYS 18 3.783 -7.823 -3.819
147 1HZ LYS 18 HZ1 LYS 18 3.940 -4.881 -4.225
148 2HZ LYS 18 HZ2 LYS 18 2.804 -5.941 -4.914
149 3HZ LYS 18 HZ3 LYS 18 2.832 -5.702 -3.232
150 H GLU 19 HN GLU 19 5.028 -5.118 3.143
151 HA GLU 19 HA GLU 19 6.604 -7.008 4.718
152 1HB GLU 19 HB2 GLU 19 7.144 -4.577 4.593
153 2HB GLU 19 HB3 GLU 19 5.635 -4.206 5.475
154 1HG GLU 19 HG2 GLU 19 6.504 -5.498 7.473
155 2HG GLU 19 HG3 GLU 19 7.976 -5.940 6.527
156 H LEU 20 HN LEU 20 3.277 -6.098 4.283
157 HA LEU 20 HA LEU 20 2.300 -7.186 6.807
158 1HB LEU 20 HB2 LEU 20 1.044 -5.704 4.436
159 2HB LEU 20 HB3 LEU 20 0.007 -6.461 5.721
160 HG LEU 20 HG LEU 20 1.971 -4.174 6.057
161 1HD1 LEU 20 HD11 LEU 20 -0.140 -3.597 4.917
162 2HD1 LEU 20 HD12 LEU 20 -1.090 -4.293 6.282
163 3HD1 LEU 20 HD13 LEU 20 -0.048 -2.843 6.552
164 1HD2 LEU 20 HD22 LEU 20 0.249 -5.573 8.206
165 2HD2 LEU 20 HD23 LEU 20 2.053 -5.517 8.148
166 3HD2 LEU 20 HD21 LEU 20 1.118 -4.008 8.422
167 H TYR 21 HN TYR 21 1.425 -7.584 3.328
168 HA TYR 21 HA TYR 21 0.099 -10.090 3.866
169 1HB TYR 21 HB2 TYR 21 0.043 -8.133 1.494
170 2HB TYR 21 HB3 TYR 21 -0.870 -9.685 1.519
171 HD1 TYR 21 HD1 TYR 21 -0.616 -6.305 3.153
172 HD2 TYR 21 HD2 TYR 21 -2.774 -10.019 2.876
173 HE1 TYR 21 HE1 TYR 21 -2.499 -5.311 4.381
174 HE2 TYR 21 HE2 TYR 21 -4.687 -8.999 4.047
175 HH TYR 21 HH TYR 21 -5.512 -7.149 5.037
176 H GLY 22 HN GLY 22 3.191 -9.115 2.650
177 1HA GLY 22 HA1 GLY 22 4.813 -10.648 2.585
178 2HA GLY 22 HA2 GLY 22 3.702 -11.929 2.008
179 H SER 23 HN SER 23 2.874 -11.669 -0.250
180 HA SER 23 HA SER 23 4.595 -10.255 -2.122
181 1HB SER 23 HB2 SER 23 4.294 -13.339 -2.127
182 2HB SER 23 HB3 SER 23 4.992 -12.365 -3.482
183 HG SER 23 HG SER 23 6.563 -11.643 -2.019
184 H SER 24 HN SER 24 1.678 -11.650 -0.980
185 HA SER 24 HA SER 24 0.219 -11.294 -3.504
186 1HB SER 24 HB2 SER 24 0.025 -13.495 -2.303
187 2HB SER 24 HB3 SER 24 -0.664 -12.654 -0.880
188 HG SER 24 HG SER 24 -1.687 -12.671 -3.541
189 H ALA 25 HN ALA 25 0.654 -8.873 -3.196
190 HA ALA 25 HA ALA 25 -1.147 -7.607 -1.240
191 1HB ALA 25 HB1 ALA 25 1.735 -6.812 -2.041
192 2HB ALA 25 HB2 ALA 25 0.631 -5.791 -1.066
193 3HB ALA 25 HB3 ALA 25 1.198 -7.373 -0.424
194 H GLY 26 HN GLY 26 -2.662 -6.467 -2.324
195 1HA GLY 26 HA1 GLY 26 -2.149 -5.447 -5.033
196 2HA GLY 26 HA2 GLY 26 -3.704 -5.627 -4.133
197 H ALA 27 HN ALA 27 -0.678 -3.771 -4.408
198 HA ALA 27 HA ALA 27 -1.403 -1.958 -2.271
199 1HB ALA 27 HB3 ALA 27 1.137 -2.252 -3.985
200 2HB ALA 27 HB1 ALA 27 0.942 -1.119 -2.593
201 3HB ALA 27 HB2 ALA 27 0.880 -2.892 -2.331
202 H LYS 28 HN LYS 28 -2.544 -0.107 -2.706
203 HA LYS 28 HA LYS 28 -2.430 1.076 -5.411
204 1HB LYS 28 HB2 LYS 28 -4.814 0.921 -3.461
205 2HB LYS 28 HB3 LYS 28 -4.853 1.591 -5.140
206 1HG LYS 28 HG2 LYS 28 -4.194 -0.780 -5.924
207 2HG LYS 28 HG3 LYS 28 -4.527 -1.310 -4.232
208 1HD LYS 28 HD2 LYS 28 -6.865 -0.365 -4.441
209 2HD LYS 28 HD3 LYS 28 -6.529 0.049 -6.154
210 1HE LYS 28 HE2 LYS 28 -6.480 -2.811 -4.945
211 2HE LYS 28 HE3 LYS 28 -7.815 -2.103 -5.942
212 1HZ LYS 28 HZ1 LYS 28 -5.009 -2.533 -6.824
213 2HZ LYS 28 HZ2 LYS 28 -6.355 -3.485 -7.230
214 3HZ LYS 28 HZ3 LYS 28 -6.265 -1.874 -7.759
215 H CYS 29 HN CYS 29 -2.385 3.301 -5.455
216 HA CYS 29 HA CYS 29 -2.074 4.744 -2.888
217 1HB CYS 29 HB2 CYS 29 0.140 4.426 -3.996
218 2HB CYS 29 HB3 CYS 29 -0.485 5.160 -5.495
219 H MET 30 HN MET 30 -3.805 6.004 -2.674
220 HA MET 30 HA MET 30 -4.981 7.365 -5.007
221 1HB MET 30 HB2 MET 30 -6.404 6.194 -2.543
222 2HB MET 30 HB3 MET 30 -7.196 7.249 -3.763
223 1HG MET 30 HG2 MET 30 -5.994 4.469 -4.233
224 2HG MET 30 HG3 MET 30 -7.726 4.892 -4.104
225 1HE MET 30 HE1 MET 30 -8.007 3.407 -6.175
226 2HE MET 30 HE2 MET 30 -7.183 3.647 -7.755
227 3HE MET 30 HE3 MET 30 -6.232 3.164 -6.309
228 H ASN 31 HN ASN 31 -4.617 9.669 -4.681
229 HA ASN 31 HA ASN 31 -4.567 11.613 -3.783
230 1HB ASN 31 HB2 ASN 31 -5.256 10.490 -1.013
231 2HB ASN 31 HB3 ASN 31 -5.180 12.225 -1.479
232 1HD2 ASN 31 HD21 ASN 31 -7.292 9.612 -1.101
233 2HD2 ASN 31 HD22 ASN 31 -8.599 10.157 -2.099
234 H GLY 32 HN GLY 32 -3.324 10.068 -0.854
235 1HA GLY 32 HA1 GLY 32 -0.705 9.776 -1.690
236 2HA GLY 32 HA2 GLY 32 -0.876 11.291 -0.686
237 H LYS 33 HN LYS 33 -2.421 8.006 -0.709
238 HA LYS 33 HA LYS 33 -1.235 7.264 1.781
239 1HB LYS 33 HB2 LYS 33 -4.222 7.914 1.739
240 2HB LYS 33 HB3 LYS 33 -3.578 6.596 2.779
241 1HG LYS 33 HG2 LYS 33 -1.857 8.264 3.689
242 2HG LYS 33 HG3 LYS 33 -2.883 9.557 2.979
243 1HD LYS 33 HD2 LYS 33 -4.842 8.762 4.320
244 2HD LYS 33 HD3 LYS 33 -3.867 7.384 4.939
245 1HE LYS 33 HE2 LYS 33 -3.994 9.139 6.670
246 2HE LYS 33 HE3 LYS 33 -2.290 8.995 6.076
247 1HZ LYS 33 HZ3 LYS 33 -4.284 11.033 5.226
248 2HZ LYS 33 HZ1 LYS 33 -2.989 11.268 6.300
249 3HZ LYS 33 HZ2 LYS 33 -2.684 10.903 4.670
250 H CYS 34 HN CYS 34 -1.652 5.058 2.229
251 HA CYS 34 HA CYS 34 -1.602 3.561 -0.270
252 1HB CYS 34 HB2 CYS 34 0.470 3.785 1.032
253 2HB CYS 34 HB3 CYS 34 -0.351 3.242 2.516
254 H LYS 35 HN LYS 35 -2.692 1.650 -0.524
255 HA LYS 35 HA LYS 35 -4.486 0.669 1.602
256 1HB LYS 35 HB2 LYS 35 -4.911 0.937 -1.436
257 2HB LYS 35 HB3 LYS 35 -5.927 -0.107 -0.387
258 1HG LYS 35 HG2 LYS 35 -6.435 1.923 1.022
259 2HG LYS 35 HG3 LYS 35 -5.650 2.956 -0.223
260 1HD LYS 35 HD2 LYS 35 -7.962 1.000 -0.743
261 2HD LYS 35 HD3 LYS 35 -8.199 2.751 -0.376
262 1HE LYS 35 HE2 LYS 35 -6.884 3.337 -2.447
263 2HE LYS 35 HE3 LYS 35 -6.727 1.577 -2.837
264 1HZ LYS 35 HZ3 LYS 35 -9.273 3.079 -2.574
265 2HZ LYS 35 HZ1 LYS 35 -8.525 2.595 -4.021
266 3HZ LYS 35 HZ2 LYS 35 -9.112 1.426 -2.936
267 H CYS 36 HN CYS 36 -4.356 -1.517 1.931
268 HA CYS 36 HA CYS 36 -2.532 -3.092 0.203
269 1HB CYS 36 HB2 CYS 36 -2.802 -3.329 3.261
270 2HB CYS 36 HB3 CYS 36 -1.738 -4.328 2.109
271 H TYR 37 HN TYR 37 -3.768 -4.456 -0.903
272 HA TYR 37 HA TYR 37 -6.022 -5.822 0.372
273 1HB TYR 37 HB2 TYR 37 -5.347 -5.025 -2.544
274 2HB TYR 37 HB3 TYR 37 -6.716 -6.081 -2.087
275 HD1 TYR 37 HD2 TYR 37 -8.315 -5.160 -0.231
276 HD2 TYR 37 HD1 TYR 37 -5.745 -2.639 -2.598
277 HE1 TYR 37 HE2 TYR 37 -9.805 -3.246 0.173
278 HE2 TYR 37 HE1 TYR 37 -7.260 -0.764 -2.283
279 HH TYR 37 HH TYR 37 -9.238 -0.052 -1.327
280 H ASN 38 HN ASN 38 -5.827 -7.656 -2.048
281 HA ASN 38 HA ASN 38 -3.330 -9.129 -1.587
282 1HB ASN 38 HB2 ASN 38 -6.200 -10.285 -1.499
283 2HB ASN 38 HB3 ASN 38 -4.740 -11.306 -1.773
284 1HD2 ASN 38 HD22 ASN 38 -3.547 -11.233 1.568
285 2HD2 ASN 38 HD21 ASN 38 -3.146 -11.524 -0.091
286 H ASN 39 HN ASN 39 -2.787 -10.431 -3.459
287 HA ASN 39 HA ASN 39 -3.908 -9.501 -5.995
288 1HB ASN 39 HB2 ASN 39 -1.575 -11.389 -5.298
289 2HB ASN 39 HB3 ASN 39 -2.129 -11.034 -6.980
290 1HD2 ASN 39 HD22 ASN 39 0.752 -8.737 -5.798
291 2HD2 ASN 39 HD21 ASN 39 0.499 -10.436 -5.573
292 1H NH2 40 HT1 ASN 39 -5.946 -12.308 -6.625
293 2H NH2 40 HT2 ASN 39 -5.542 -10.654 -6.952
No H/Q in entry = 293
Start of MODEL 6
1 1H THR 1 HN2 THR 1 -8.575 -3.609 2.552
2 2H THR 1 HN THR 1 -6.994 -4.207 2.723
3 3H THR 1 HN3 THR 1 -8.241 -4.816 3.702
4 HA THR 1 HA THR 1 -8.533 -2.713 4.716
5 HB THR 1 HB THR 1 -6.446 -2.600 6.087
6 HG1 THR 1 HG1 THR 1 -4.968 -3.018 4.399
7 1HG2 THR 1 HG22 THR 1 -8.232 -4.312 6.495
8 2HG2 THR 1 HG23 THR 1 -7.376 -5.471 5.411
9 3HG2 THR 1 HG21 THR 1 -6.592 -4.912 6.933
10 H ILE 2 HN ILE 2 -7.576 -0.559 5.282
11 HA ILE 2 HA ILE 2 -6.145 0.778 3.109
12 HB ILE 2 HB ILE 2 -8.512 1.835 4.762
13 1HG1 ILE 2 HG12 ILE 2 -8.282 1.074 1.784
14 2HG1 ILE 2 HG13 ILE 2 -9.303 0.297 3.024
15 1HG2 ILE 2 HG21 ILE 2 -6.684 3.186 2.663
16 2HG2 ILE 2 HG22 ILE 2 -8.184 3.915 3.350
17 3HG2 ILE 2 HG23 ILE 2 -6.792 3.589 4.413
18 1HD1 ILE 2 HD13 ILE 2 -10.604 2.454 3.296
19 2HD1 ILE 2 HD11 ILE 2 -9.663 3.153 1.922
20 3HD1 ILE 2 HD12 ILE 2 -10.715 1.722 1.651
21 H ILE 3 HN ILE 3 -4.175 1.232 3.971
22 HA ILE 3 HA ILE 3 -3.854 1.503 6.882
23 HB ILE 3 HB ILE 3 -1.589 1.012 6.680
24 1HG1 ILE 3 HG12 ILE 3 -2.023 0.356 3.700
25 2HG1 ILE 3 HG13 ILE 3 -1.258 1.884 4.256
26 1HG2 ILE 3 HG22 ILE 3 -3.387 -0.718 7.039
27 2HG2 ILE 3 HG23 ILE 3 -3.379 -1.074 5.270
28 3HG2 ILE 3 HG21 ILE 3 -1.913 -1.385 6.260
29 1HD1 ILE 3 HD13 ILE 3 0.438 0.621 5.549
30 2HD1 ILE 3 HD11 ILE 3 -0.236 -0.939 4.951
31 3HD1 ILE 3 HD12 ILE 3 0.497 0.208 3.783
32 H ASN 4 HN ASN 4 -1.646 2.989 7.195
33 HA ASN 4 HA ASN 4 -2.263 5.622 5.989
34 1HB ASN 4 HB2 ASN 4 -1.640 4.983 8.947
35 2HB ASN 4 HB3 ASN 4 -1.798 6.640 8.245
36 1HD2 ASN 4 HD22 ASN 4 -5.405 6.370 7.718
37 2HD2 ASN 4 HD21 ASN 4 -3.974 6.955 6.938
38 H VAL 5 HN VAL 5 -0.552 4.909 4.477
39 HA VAL 5 HA VAL 5 2.049 5.830 5.450
40 HB VAL 5 HB VAL 5 1.482 3.336 3.756
41 1HG1 VAL 5 HG11 VAL 5 4.057 5.048 3.736
42 2HG1 VAL 5 HG12 VAL 5 4.018 3.311 3.276
43 3HG1 VAL 5 HG13 VAL 5 3.072 4.473 2.319
44 1HG2 VAL 5 HG22 VAL 5 3.285 3.917 6.197
45 2HG2 VAL 5 HG23 VAL 5 1.752 2.962 6.182
46 3HG2 VAL 5 HG21 VAL 5 3.202 2.347 5.321
47 H LYS 6 HN LYS 6 2.751 7.499 4.273
48 HA LYS 6 HA LYS 6 1.009 8.597 2.307
49 1HB LYS 6 HB2 LYS 6 3.775 9.592 3.247
50 2HB LYS 6 HB3 LYS 6 2.551 10.543 2.326
51 1HG LYS 6 HG2 LYS 6 2.282 9.482 5.208
52 2HG LYS 6 HG3 LYS 6 2.672 11.156 4.695
53 1HD LYS 6 HD2 LYS 6 0.427 11.240 3.480
54 2HD LYS 6 HD3 LYS 6 0.008 9.673 4.260
55 1HE LYS 6 HE2 LYS 6 0.699 12.329 5.710
56 2HE LYS 6 HE3 LYS 6 -0.947 11.593 5.542
57 1HZ LYS 6 HZ3 LYS 6 1.375 10.387 6.955
58 2HZ LYS 6 HZ1 LYS 6 0.040 11.154 7.674
59 3HZ LYS 6 HZ2 LYS 6 -0.176 9.709 6.807
60 H CYS 7 HN CYS 7 1.407 8.811 0.024
61 HA CYS 7 HA CYS 7 3.835 7.625 -1.103
62 1HB CYS 7 HB2 CYS 7 2.700 5.962 -2.394
63 2HB CYS 7 HB3 CYS 7 2.244 5.769 -0.643
64 H THR 8 HN THR 8 3.723 7.831 -3.560
65 HA THR 8 HA THR 8 1.835 9.615 -4.685
66 HB THR 8 HB THR 8 3.400 11.293 -3.743
67 HG1 THR 8 HG1 THR 8 3.776 12.387 -5.642
68 1HG2 THR 8 HG21 THR 8 5.511 9.951 -3.760
69 2HG2 THR 8 HG22 THR 8 5.567 10.033 -5.561
70 3HG2 THR 8 HG23 THR 8 5.705 11.534 -4.583
71 H SER 9 HN SER 9 2.629 6.821 -4.665
72 HA SER 9 HA SER 9 2.770 6.246 -7.372
73 1HB SER 9 HB2 SER 9 4.968 5.043 -7.513
74 2HB SER 9 HB3 SER 9 5.207 6.794 -7.161
75 HG SER 9 HG SER 9 5.314 4.755 -5.251
76 HA PRO 10 HA PRO 10 1.218 2.631 -5.044
77 1HB PRO 10 HB2 PRO 10 1.667 1.092 -7.648
78 2HB PRO 10 HB3 PRO 10 0.241 1.126 -6.544
79 1HG PRO 10 HG2 PRO 10 0.253 2.552 -8.890
80 2HG PRO 10 HG3 PRO 10 -0.411 3.308 -7.380
81 1HD PRO 10 HD2 PRO 10 2.408 3.645 -8.576
82 2HD PRO 10 HD3 PRO 10 1.232 4.923 -8.016
83 H LYS 11 HN LYS 11 4.392 2.553 -6.656
84 HA LYS 11 HA LYS 11 5.379 0.254 -5.284
85 1HB LYS 11 HB2 LYS 11 6.884 2.442 -6.803
86 2HB LYS 11 HB3 LYS 11 7.551 0.844 -6.296
87 1HG LYS 11 HG2 LYS 11 5.268 1.326 -8.304
88 2HG LYS 11 HG3 LYS 11 6.964 0.891 -8.685
89 1HD LYS 11 HD2 LYS 11 6.709 -1.287 -7.509
90 2HD LYS 11 HD3 LYS 11 5.006 -0.898 -7.096
91 1HE LYS 11 HE2 LYS 11 6.105 -1.179 -9.972
92 2HE LYS 11 HE3 LYS 11 5.157 -2.427 -9.062
93 1HZ LYS 11 HZ3 LYS 11 3.333 -0.878 -8.931
94 2HZ LYS 11 HZ1 LYS 11 4.216 0.300 -9.776
95 3HZ LYS 11 HZ2 LYS 11 3.786 -1.152 -10.544
96 H GLN 12 HN GLN 12 4.792 3.471 -4.109
97 HA GLN 12 HA GLN 12 6.791 3.346 -2.021
98 1HB GLN 12 HB2 GLN 12 6.384 5.431 -3.240
99 2HB GLN 12 HB3 GLN 12 4.720 5.447 -2.782
100 1HG GLN 12 HG2 GLN 12 5.416 5.814 -0.362
101 2HG GLN 12 HG3 GLN 12 7.132 5.458 -0.801
102 1HE2 GLN 12 HE22 GLN 12 6.880 9.153 -0.549
103 2HE2 GLN 12 HE21 GLN 12 6.770 7.779 0.501
104 H CYS 13 HN CYS 13 3.831 1.947 -2.734
105 HA CYS 13 HA CYS 13 2.864 1.850 0.034
106 1HB CYS 13 HB2 CYS 13 1.336 3.062 -1.531
107 2HB CYS 13 HB3 CYS 13 1.425 1.732 -2.706
108 H SER 14 HN SER 14 4.366 0.099 -2.653
109 HA SER 14 HA SER 14 3.526 -2.534 -1.804
110 1HB SER 14 HB2 SER 14 5.657 -1.578 -3.821
111 2HB SER 14 HB3 SER 14 5.194 -3.302 -3.544
112 HG SER 14 HG SER 14 4.153 -2.369 -5.288
113 H LYS 15 HN LYS 15 5.542 -0.223 -0.446
114 HA LYS 15 HA LYS 15 7.656 -1.840 0.543
115 1HB LYS 15 HB2 LYS 15 6.687 1.031 0.678
116 2HB LYS 15 HB3 LYS 15 7.860 0.452 1.893
117 1HG LYS 15 HG2 LYS 15 9.445 -0.140 0.050
118 2HG LYS 15 HG3 LYS 15 8.177 0.272 -1.163
119 1HD LYS 15 HD2 LYS 15 9.766 2.095 -1.068
120 2HD LYS 15 HD3 LYS 15 8.187 2.645 -0.405
121 1HE LYS 15 HE2 LYS 15 9.088 2.417 1.942
122 2HE LYS 15 HE3 LYS 15 10.667 1.836 1.271
123 1HZ LYS 15 HZ1 LYS 15 10.889 3.939 0.134
124 2HZ LYS 15 HZ2 LYS 15 9.405 4.480 0.760
125 3HZ LYS 15 HZ3 LYS 15 10.704 4.162 1.807
126 HA PRO 16 HA PRO 16 5.073 -1.718 4.593
127 1HB PRO 16 HB2 PRO 16 2.556 -0.564 4.680
128 2HB PRO 16 HB3 PRO 16 4.103 0.330 4.970
129 1HG PRO 16 HG2 PRO 16 2.522 -0.088 2.422
130 2HG PRO 16 HG3 PRO 16 2.969 1.518 3.114
131 1HD PRO 16 HD2 PRO 16 4.524 0.435 1.182
132 2HD PRO 16 HD3 PRO 16 5.358 1.108 2.615
133 H CYS 17 HN CYS 17 2.835 -2.089 1.712
134 HA CYS 17 HA CYS 17 1.266 -4.062 2.792
135 1HB CYS 17 HB2 CYS 17 1.710 -3.463 -0.185
136 2HB CYS 17 HB3 CYS 17 0.361 -4.428 0.513
137 H LYS 18 HN LYS 18 4.365 -4.373 0.882
138 HA LYS 18 HA LYS 18 4.094 -7.274 0.785
139 1HB LYS 18 HB2 LYS 18 6.289 -5.471 -0.284
140 2HB LYS 18 HB3 LYS 18 6.244 -7.267 -0.425
141 1HG LYS 18 HG2 LYS 18 4.003 -7.112 -1.521
142 2HG LYS 18 HG3 LYS 18 4.140 -5.317 -1.495
143 1HD LYS 18 HD2 LYS 18 6.177 -5.451 -2.939
144 2HD LYS 18 HD3 LYS 18 6.077 -7.251 -2.929
145 1HE LYS 18 HE2 LYS 18 3.851 -7.155 -4.090
146 2HE LYS 18 HE3 LYS 18 3.920 -5.345 -4.082
147 1HZ LYS 18 HZ3 LYS 18 5.851 -7.166 -5.422
148 2HZ LYS 18 HZ1 LYS 18 4.617 -6.268 -6.170
149 3HZ LYS 18 HZ2 LYS 18 5.911 -5.468 -5.416
150 H GLU 19 HN GLU 19 5.199 -4.953 3.022
151 HA GLU 19 HA GLU 19 6.855 -6.833 4.518
152 1HB GLU 19 HB2 GLU 19 7.329 -4.392 4.443
153 2HB GLU 19 HB3 GLU 19 5.817 -4.074 5.343
154 1HG GLU 19 HG2 GLU 19 6.737 -5.372 7.314
155 2HG GLU 19 HG3 GLU 19 8.211 -5.762 6.350
156 H LEU 20 HN LEU 20 3.485 -5.972 4.218
157 HA LEU 20 HA LEU 20 2.612 -7.163 6.729
158 1HB LEU 20 HB2 LEU 20 1.236 -5.680 4.422
159 2HB LEU 20 HB3 LEU 20 0.266 -6.500 5.721
160 HG LEU 20 HG LEU 20 2.140 -4.141 6.049
161 1HD1 LEU 20 HD11 LEU 20 -0.027 -3.634 4.985
162 2HD1 LEU 20 HD12 LEU 20 -0.903 -4.396 6.365
163 3HD1 LEU 20 HD13 LEU 20 0.084 -2.907 6.631
164 1HD2 LEU 20 HD23 LEU 20 0.551 -5.658 8.217
165 2HD2 LEU 20 HD21 LEU 20 2.349 -5.522 8.104
166 3HD2 LEU 20 HD22 LEU 20 1.358 -4.061 8.440
167 H TYR 21 HN TYR 21 1.686 -7.510 3.260
168 HA TYR 21 HA TYR 21 0.441 -10.066 3.766
169 1HB TYR 21 HB2 TYR 21 0.246 -8.045 1.454
170 2HB TYR 21 HB3 TYR 21 -0.624 -9.625 1.478
171 HD1 TYR 21 HD2 TYR 21 -0.448 -6.242 3.107
172 HD2 TYR 21 HD1 TYR 21 -2.361 -10.096 3.029
173 HE1 TYR 21 HE2 TYR 21 -2.272 -5.372 4.510
174 HE2 TYR 21 HE1 TYR 21 -4.195 -9.219 4.422
175 HH TYR 21 HH TYR 21 -5.021 -7.454 5.528
176 H GLY 22 HN GLY 22 3.443 -8.926 2.453
177 1HA GLY 22 HA1 GLY 22 5.149 -10.333 2.311
178 2HA GLY 22 HA2 GLY 22 4.092 -11.711 1.882
179 H SER 23 HN SER 23 3.007 -11.481 -0.332
180 HA SER 23 HA SER 23 4.800 -10.411 -2.384
181 1HB SER 23 HB2 SER 23 4.739 -12.724 -3.523
182 2HB SER 23 HB3 SER 23 5.773 -12.599 -2.059
183 HG SER 23 HG SER 23 4.071 -13.503 -0.870
184 H SER 24 HN SER 24 1.834 -11.947 -1.309
185 HA SER 24 HA SER 24 0.271 -11.216 -3.645
186 1HB SER 24 HB2 SER 24 0.038 -13.452 -2.530
187 2HB SER 24 HB3 SER 24 -0.579 -12.648 -1.052
188 HG SER 24 HG SER 24 -2.262 -11.808 -2.399
189 H ALA 25 HN ALA 25 0.759 -8.819 -3.271
190 HA ALA 25 HA ALA 25 -0.981 -7.572 -1.253
191 1HB ALA 25 HB2 ALA 25 1.852 -6.732 -2.181
192 2HB ALA 25 HB3 ALA 25 0.777 -5.737 -1.146
193 3HB ALA 25 HB1 ALA 25 1.398 -7.314 -0.543
194 H GLY 26 HN GLY 26 -2.524 -6.391 -2.255
195 1HA GLY 26 HA1 GLY 26 -2.106 -5.383 -4.989
196 2HA GLY 26 HA2 GLY 26 -3.635 -5.589 -4.053
197 H ALA 27 HN ALA 27 -0.647 -3.698 -4.396
198 HA ALA 27 HA ALA 27 -1.376 -1.878 -2.260
199 1HB ALA 27 HB2 ALA 27 1.149 -2.164 -4.003
200 2HB ALA 27 HB3 ALA 27 0.951 -0.991 -2.645
201 3HB ALA 27 HB1 ALA 27 0.928 -2.757 -2.324
202 H LYS 28 HN LYS 28 -2.581 -0.090 -2.717
203 HA LYS 28 HA LYS 28 -2.496 1.089 -5.425
204 1HB LYS 28 HB2 LYS 28 -4.856 0.882 -3.457
205 2HB LYS 28 HB3 LYS 28 -4.925 1.562 -5.128
206 1HG LYS 28 HG2 LYS 28 -4.236 -0.815 -5.927
207 2HG LYS 28 HG3 LYS 28 -4.510 -1.330 -4.224
208 1HD LYS 28 HD2 LYS 28 -6.503 -1.868 -5.478
209 2HD LYS 28 HD3 LYS 28 -6.886 -0.508 -4.371
210 1HE LYS 28 HE2 LYS 28 -7.959 -0.185 -6.591
211 2HE LYS 28 HE3 LYS 28 -6.738 1.114 -6.300
212 1HZ LYS 28 HZ3 LYS 28 -6.342 -1.340 -7.931
213 2HZ LYS 28 HZ1 LYS 28 -6.605 0.235 -8.511
214 3HZ LYS 28 HZ2 LYS 28 -5.184 -0.129 -7.654
215 H CYS 29 HN CYS 29 -2.469 3.308 -5.467
216 HA CYS 29 HA CYS 29 -2.125 4.746 -2.901
217 1HB CYS 29 HB2 CYS 29 0.075 4.372 -4.031
218 2HB CYS 29 HB3 CYS 29 -0.537 5.151 -5.511
219 H MET 30 HN MET 30 -3.866 5.993 -2.680
220 HA MET 30 HA MET 30 -4.982 7.443 -4.993
221 1HB MET 30 HB2 MET 30 -6.390 6.309 -2.518
222 2HB MET 30 HB3 MET 30 -7.121 7.557 -3.583
223 1HG MET 30 HG2 MET 30 -6.727 5.959 -5.552
224 2HG MET 30 HG3 MET 30 -6.298 4.708 -4.348
225 1HE MET 30 HE2 MET 30 -8.975 6.884 -6.087
226 2HE MET 30 HE3 MET 30 -10.477 6.662 -5.127
227 3HE MET 30 HE1 MET 30 -9.124 7.630 -4.457
228 H ASN 31 HN ASN 31 -4.405 9.710 -4.728
229 HA ASN 31 HA ASN 31 -4.265 11.674 -3.884
230 1HB ASN 31 HB2 ASN 31 -5.066 10.662 -1.100
231 2HB ASN 31 HB3 ASN 31 -4.897 12.378 -1.610
232 1HD2 ASN 31 HD22 ASN 31 -8.396 10.452 -2.258
233 2HD2 ASN 31 HD21 ASN 31 -7.137 9.871 -1.219
234 H GLY 32 HN GLY 32 -3.165 10.172 -0.880
235 1HA GLY 32 HA1 GLY 32 -0.543 9.733 -1.650
236 2HA GLY 32 HA2 GLY 32 -0.669 11.274 -0.680
237 H LYS 33 HN LYS 33 -2.303 8.042 -0.717
238 HA LYS 33 HA LYS 33 -1.255 7.290 1.828
239 1HB LYS 33 HB2 LYS 33 -4.204 8.067 1.655
240 2HB LYS 33 HB3 LYS 33 -3.674 6.712 2.715
241 1HG LYS 33 HG2 LYS 33 -1.937 8.247 3.742
242 2HG LYS 33 HG3 LYS 33 -2.785 9.620 2.964
243 1HD LYS 33 HD2 LYS 33 -4.901 9.055 4.102
244 2HD LYS 33 HD3 LYS 33 -4.173 7.577 4.816
245 1HE LYS 33 HE2 LYS 33 -3.221 10.465 5.417
246 2HE LYS 33 HE3 LYS 33 -4.324 9.483 6.467
247 1HZ LYS 33 HZ1 LYS 33 -1.548 8.756 5.695
248 2HZ LYS 33 HZ2 LYS 33 -2.053 9.378 7.193
249 3HZ LYS 33 HZ3 LYS 33 -2.588 7.848 6.685
250 H CYS 34 HN CYS 34 -1.728 5.095 2.256
251 HA CYS 34 HA CYS 34 -1.651 3.595 -0.241
252 1HB CYS 34 HB2 CYS 34 0.399 3.827 1.103
253 2HB CYS 34 HB3 CYS 34 -0.442 3.260 2.565
254 H LYS 35 HN LYS 35 -2.734 1.668 -0.509
255 HA LYS 35 HA LYS 35 -4.531 0.667 1.608
256 1HB LYS 35 HB2 LYS 35 -4.922 0.840 -1.448
257 2HB LYS 35 HB3 LYS 35 -5.940 -0.164 -0.358
258 1HG LYS 35 HG2 LYS 35 -6.447 1.930 0.953
259 2HG LYS 35 HG3 LYS 35 -5.698 2.906 -0.360
260 1HD LYS 35 HD2 LYS 35 -7.974 0.875 -0.728
261 2HD LYS 35 HD3 LYS 35 -8.257 2.636 -0.454
262 1HE LYS 35 HE2 LYS 35 -7.084 3.166 -2.608
263 2HE LYS 35 HE3 LYS 35 -6.764 1.404 -2.868
264 1HZ LYS 35 HZ3 LYS 35 -9.119 1.013 -2.891
265 2HZ LYS 35 HZ1 LYS 35 -9.437 2.666 -2.658
266 3HZ LYS 35 HZ2 LYS 35 -8.669 2.142 -4.078
267 H CYS 36 HN CYS 36 -4.419 -1.551 1.897
268 HA CYS 36 HA CYS 36 -2.566 -3.093 0.164
269 1HB CYS 36 HB2 CYS 36 -2.911 -3.505 3.192
270 2HB CYS 36 HB3 CYS 36 -1.826 -4.429 2.001
271 H TYR 37 HN TYR 37 -3.613 -4.665 -0.888
272 HA TYR 37 HA TYR 37 -5.966 -5.941 0.304
273 1HB TYR 37 HB2 TYR 37 -5.248 -5.098 -2.590
274 2HB TYR 37 HB3 TYR 37 -6.594 -6.200 -2.189
275 HD1 TYR 37 HD2 TYR 37 -8.263 -5.337 -0.343
276 HD2 TYR 37 HD1 TYR 37 -5.703 -2.715 -2.615
277 HE1 TYR 37 HE2 TYR 37 -9.777 -3.444 0.107
278 HE2 TYR 37 HE1 TYR 37 -7.243 -0.867 -2.247
279 HH TYR 37 HH TYR 37 -9.220 -0.203 -1.280
280 H ASN 38 HN ASN 38 -5.940 -7.967 -1.753
281 HA ASN 38 HA ASN 38 -3.356 -9.352 -1.411
282 1HB ASN 38 HB2 ASN 38 -6.185 -10.485 -0.873
283 2HB ASN 38 HB3 ASN 38 -4.751 -11.530 -1.209
284 1HD2 ASN 38 HD21 ASN 38 -5.214 -9.823 2.503
285 2HD2 ASN 38 HD22 ASN 38 -6.336 -9.506 1.222
286 H ASN 39 HN ASN 39 -2.826 -8.726 -3.560
287 HA ASN 39 HA ASN 39 -4.244 -10.260 -5.627
288 1HB ASN 39 HB2 ASN 39 -3.385 -7.308 -5.905
289 2HB ASN 39 HB3 ASN 39 -3.849 -8.389 -7.267
290 1HD2 ASN 39 HD21 ASN 39 -6.746 -6.435 -5.176
291 2HD2 ASN 39 HD22 ASN 39 -5.053 -6.102 -5.013
292 1H NH2 40 HT1 ASN 39 -0.924 -11.417 -5.935
293 2H NH2 40 HT2 ASN 39 -2.564 -11.793 -5.522
No H/Q in entry = 293
Start of MODEL 7
1 1H THR 1 HN THR 1 -8.483 -3.670 2.330
2 2H THR 1 HN3 THR 1 -6.931 -4.266 2.673
3 3H THR 1 HN2 THR 1 -8.279 -4.883 3.502
4 HA THR 1 HA THR 1 -8.687 -2.787 4.492
5 HB THR 1 HB THR 1 -6.777 -2.687 6.093
6 HG1 THR 1 HG1 THR 1 -5.108 -3.068 4.585
7 1HG2 THR 1 HG23 THR 1 -8.580 -4.422 6.268
8 2HG2 THR 1 HG21 THR 1 -7.590 -5.557 5.276
9 3HG2 THR 1 HG22 THR 1 -6.996 -5.011 6.886
10 H ILE 2 HN ILE 2 -7.653 -0.662 5.244
11 HA ILE 2 HA ILE 2 -6.173 0.723 3.132
12 HB ILE 2 HB ILE 2 -8.457 1.796 4.892
13 1HG1 ILE 2 HG12 ILE 2 -8.413 1.083 1.894
14 2HG1 ILE 2 HG13 ILE 2 -9.379 0.307 3.178
15 1HG2 ILE 2 HG23 ILE 2 -6.696 3.114 2.713
16 2HG2 ILE 2 HG21 ILE 2 -8.127 3.884 3.497
17 3HG2 ILE 2 HG22 ILE 2 -6.687 3.494 4.472
18 1HD1 ILE 2 HD13 ILE 2 -10.600 2.490 3.571
19 2HD1 ILE 2 HD11 ILE 2 -9.721 3.195 2.158
20 3HD1 ILE 2 HD12 ILE 2 -10.828 1.799 1.921
21 H ILE 3 HN ILE 3 -4.196 1.236 3.978
22 HA ILE 3 HA ILE 3 -3.848 1.433 6.899
23 HB ILE 3 HB ILE 3 -1.578 1.002 6.687
24 1HG1 ILE 3 HG12 ILE 3 -1.982 0.372 3.699
25 2HG1 ILE 3 HG13 ILE 3 -1.264 1.914 4.277
26 1HG2 ILE 3 HG21 ILE 3 -3.324 -0.782 7.022
27 2HG2 ILE 3 HG22 ILE 3 -3.302 -1.117 5.249
28 3HG2 ILE 3 HG23 ILE 3 -1.828 -1.394 6.240
29 1HD1 ILE 3 HD12 ILE 3 0.456 0.673 5.573
30 2HD1 ILE 3 HD13 ILE 3 -0.160 -0.892 4.923
31 3HD1 ILE 3 HD11 ILE 3 0.547 0.314 3.796
32 H ASN 4 HN ASN 4 -1.678 2.982 7.200
33 HA ASN 4 HA ASN 4 -2.327 5.580 5.941
34 1HB ASN 4 HB2 ASN 4 -1.719 5.051 8.923
35 2HB ASN 4 HB3 ASN 4 -1.912 6.677 8.159
36 1HD2 ASN 4 HD21 ASN 4 -4.093 6.865 6.811
37 2HD2 ASN 4 HD22 ASN 4 -5.511 6.285 7.619
38 H VAL 5 HN VAL 5 -0.602 4.851 4.467
39 HA VAL 5 HA VAL 5 1.990 5.795 5.455
40 HB VAL 5 HB VAL 5 1.441 3.324 3.724
41 1HG1 VAL 5 HG11 VAL 5 4.001 5.057 3.754
42 2HG1 VAL 5 HG12 VAL 5 3.992 3.325 3.279
43 3HG1 VAL 5 HG13 VAL 5 3.040 4.483 2.319
44 1HG2 VAL 5 HG21 VAL 5 3.222 3.867 6.187
45 2HG2 VAL 5 HG22 VAL 5 1.683 2.923 6.151
46 3HG2 VAL 5 HG23 VAL 5 3.137 2.309 5.290
47 H LYS 6 HN LYS 6 2.664 7.493 4.325
48 HA LYS 6 HA LYS 6 0.953 8.613 2.347
49 1HB LYS 6 HB2 LYS 6 3.696 9.548 3.399
50 2HB LYS 6 HB3 LYS 6 2.571 10.539 2.401
51 1HG LYS 6 HG2 LYS 6 1.956 9.470 5.230
52 2HG LYS 6 HG3 LYS 6 2.601 11.094 4.827
53 1HD LYS 6 HD2 LYS 6 0.570 11.533 3.405
54 2HD LYS 6 HD3 LYS 6 -0.135 9.975 3.973
55 1HE LYS 6 HE2 LYS 6 -0.123 10.795 6.332
56 2HE LYS 6 HE3 LYS 6 0.698 12.326 5.816
57 1HZ LYS 6 HZ3 LYS 6 -1.214 12.833 4.460
58 2HZ LYS 6 HZ1 LYS 6 -1.990 11.404 4.949
59 3HZ LYS 6 HZ2 LYS 6 -1.651 12.618 6.086
60 H CYS 7 HN CYS 7 1.394 8.855 0.079
61 HA CYS 7 HA CYS 7 3.821 7.663 -1.035
62 1HB CYS 7 HB2 CYS 7 2.706 5.989 -2.334
63 2HB CYS 7 HB3 CYS 7 2.240 5.794 -0.584
64 H THR 8 HN THR 8 3.689 7.840 -3.506
65 HA THR 8 HA THR 8 1.816 9.651 -4.619
66 HB THR 8 HB THR 8 3.413 11.307 -3.685
67 HG1 THR 8 HG1 THR 8 3.484 11.107 -6.493
68 1HG2 THR 8 HG22 THR 8 5.504 9.927 -3.730
69 2HG2 THR 8 HG23 THR 8 5.545 10.024 -5.531
70 3HG2 THR 8 HG21 THR 8 5.714 11.514 -4.541
71 H SER 9 HN SER 9 2.586 6.842 -4.608
72 HA SER 9 HA SER 9 2.747 6.261 -7.314
73 1HB SER 9 HB2 SER 9 4.965 5.066 -7.415
74 2HB SER 9 HB3 SER 9 5.170 6.829 -7.111
75 HG SER 9 HG SER 9 5.302 4.853 -5.142
76 HA PRO 10 HA PRO 10 1.279 2.583 -4.991
77 1HB PRO 10 HB2 PRO 10 1.651 1.142 -7.666
78 2HB PRO 10 HB3 PRO 10 0.254 1.120 -6.520
79 1HG PRO 10 HG2 PRO 10 0.175 2.614 -8.814
80 2HG PRO 10 HG3 PRO 10 -0.454 3.311 -7.261
81 1HD PRO 10 HD2 PRO 10 2.321 3.734 -8.532
82 2HD PRO 10 HD3 PRO 10 1.140 4.975 -7.900
83 H LYS 11 HN LYS 11 4.368 2.722 -6.688
84 HA LYS 11 HA LYS 11 5.620 0.446 -5.641
85 1HB LYS 11 HB2 LYS 11 6.302 1.687 -7.683
86 2HB LYS 11 HB3 LYS 11 6.787 3.085 -6.684
87 1HG LYS 11 HG2 LYS 11 8.729 1.793 -7.434
88 2HG LYS 11 HG3 LYS 11 8.617 1.712 -5.649
89 1HD LYS 11 HD2 LYS 11 7.604 -0.587 -5.830
90 2HD LYS 11 HD3 LYS 11 7.716 -0.482 -7.625
91 1HE LYS 11 HE2 LYS 11 10.224 -0.317 -7.455
92 2HE LYS 11 HE3 LYS 11 10.104 -0.395 -5.648
93 1HZ LYS 11 HZ3 LYS 11 9.092 -2.561 -5.865
94 2HZ LYS 11 HZ1 LYS 11 9.206 -2.490 -7.557
95 3HZ LYS 11 HZ2 LYS 11 10.617 -2.517 -6.613
96 H GLN 12 HN GLN 12 4.914 3.610 -4.149
97 HA GLN 12 HA GLN 12 6.833 3.372 -2.026
98 1HB GLN 12 HB2 GLN 12 6.402 5.496 -3.157
99 2HB GLN 12 HB3 GLN 12 4.731 5.464 -2.726
100 1HG GLN 12 HG2 GLN 12 5.370 5.766 -0.287
101 2HG GLN 12 HG3 GLN 12 7.099 5.431 -0.693
102 1HE2 GLN 12 HE22 GLN 12 6.867 9.106 -0.325
103 2HE2 GLN 12 HE21 GLN 12 6.758 7.692 0.669
104 H CYS 13 HN CYS 13 3.793 2.094 -2.788
105 HA CYS 13 HA CYS 13 2.859 1.906 -0.007
106 1HB CYS 13 HB2 CYS 13 1.330 3.096 -1.593
107 2HB CYS 13 HB3 CYS 13 1.432 1.754 -2.754
108 H SER 14 HN SER 14 4.359 0.070 -2.667
109 HA SER 14 HA SER 14 3.374 -2.494 -1.703
110 1HB SER 14 HB2 SER 14 4.704 -3.471 -3.544
111 2HB SER 14 HB3 SER 14 3.522 -2.245 -4.099
112 HG SER 14 HG SER 14 5.219 -0.746 -4.175
113 H LYS 15 HN LYS 15 5.545 -0.276 -0.523
114 HA LYS 15 HA LYS 15 7.625 -1.945 0.427
115 1HB LYS 15 HB2 LYS 15 6.723 0.955 0.616
116 2HB LYS 15 HB3 LYS 15 7.974 0.331 1.723
117 1HG LYS 15 HG2 LYS 15 9.340 -0.330 -0.305
118 2HG LYS 15 HG3 LYS 15 8.003 0.271 -1.354
119 1HD LYS 15 HD2 LYS 15 8.274 2.567 -0.330
120 2HD LYS 15 HD3 LYS 15 9.713 1.972 0.566
121 1HE LYS 15 HE2 LYS 15 9.389 2.050 -2.522
122 2HE LYS 15 HE3 LYS 15 10.355 3.211 -1.525
123 1HZ LYS 15 HZ2 LYS 15 10.831 0.285 -1.758
124 2HZ LYS 15 HZ3 LYS 15 11.715 1.519 -2.521
125 3HZ LYS 15 HZ1 LYS 15 11.739 1.379 -0.828
126 HA PRO 16 HA PRO 16 5.118 -1.711 4.540
127 1HB PRO 16 HB2 PRO 16 2.607 -0.536 4.623
128 2HB PRO 16 HB3 PRO 16 4.162 0.349 4.895
129 1HG PRO 16 HG2 PRO 16 2.569 -0.095 2.360
130 2HG PRO 16 HG3 PRO 16 3.026 1.519 3.028
131 1HD PRO 16 HD2 PRO 16 4.583 0.412 1.110
132 2HD PRO 16 HD3 PRO 16 5.413 1.087 2.534
133 H CYS 17 HN CYS 17 2.863 -2.115 1.678
134 HA CYS 17 HA CYS 17 1.269 -4.040 2.799
135 1HB CYS 17 HB2 CYS 17 1.734 -3.506 -0.192
136 2HB CYS 17 HB3 CYS 17 0.368 -4.438 0.518
137 H LYS 18 HN LYS 18 4.342 -4.424 0.878
138 HA LYS 18 HA LYS 18 4.062 -7.325 0.824
139 1HB LYS 18 HB2 LYS 18 6.228 -5.508 -0.289
140 2HB LYS 18 HB3 LYS 18 6.230 -7.306 -0.394
141 1HG LYS 18 HG2 LYS 18 3.967 -7.228 -1.465
142 2HG LYS 18 HG3 LYS 18 4.072 -5.432 -1.493
143 1HD LYS 18 HD2 LYS 18 6.080 -5.563 -2.968
144 2HD LYS 18 HD3 LYS 18 6.053 -7.363 -2.871
145 1HE LYS 18 HE2 LYS 18 3.815 -7.413 -4.009
146 2HE LYS 18 HE3 LYS 18 3.811 -5.605 -4.096
147 1HZ LYS 18 HZ1 LYS 18 5.801 -7.416 -5.360
148 2HZ LYS 18 HZ2 LYS 18 4.528 -6.606 -6.139
149 3HZ LYS 18 HZ3 LYS 18 5.797 -5.720 -5.440
150 H GLU 19 HN GLU 19 5.199 -4.970 3.012
151 HA GLU 19 HA GLU 19 6.856 -6.835 4.526
152 1HB GLU 19 HB2 GLU 19 7.329 -4.388 4.399
153 2HB GLU 19 HB3 GLU 19 5.845 -4.062 5.341
154 1HG GLU 19 HG2 GLU 19 6.819 -5.380 7.279
155 2HG GLU 19 HG3 GLU 19 8.288 -5.720 6.288
156 H LEU 20 HN LEU 20 3.492 -5.983 4.221
157 HA LEU 20 HA LEU 20 2.620 -7.131 6.752
158 1HB LEU 20 HB2 LEU 20 1.243 -5.697 4.414
159 2HB LEU 20 HB3 LEU 20 0.272 -6.504 5.719
160 HG LEU 20 HG LEU 20 2.120 -4.123 6.015
161 1HD1 LEU 20 HD11 LEU 20 -0.060 -3.667 4.947
162 2HD1 LEU 20 HD12 LEU 20 -0.918 -4.412 6.347
163 3HD1 LEU 20 HD13 LEU 20 0.051 -2.906 6.578
164 1HD2 LEU 20 HD22 LEU 20 0.555 -5.625 8.211
165 2HD2 LEU 20 HD23 LEU 20 2.350 -5.466 8.094
166 3HD2 LEU 20 HD21 LEU 20 1.340 -4.013 8.407
167 H TYR 21 HN TYR 21 1.707 -7.549 3.286
168 HA TYR 21 HA TYR 21 0.474 -10.100 3.847
169 1HB TYR 21 HB2 TYR 21 0.239 -8.110 1.517
170 2HB TYR 21 HB3 TYR 21 -0.622 -9.694 1.570
171 HD1 TYR 21 HD1 TYR 21 -2.300 -10.181 3.194
172 HD2 TYR 21 HD2 TYR 21 -0.479 -6.280 3.117
173 HE1 TYR 21 HE1 TYR 21 -4.153 -9.292 4.555
174 HE2 TYR 21 HE2 TYR 21 -2.323 -5.401 4.489
175 HH TYR 21 HH TYR 21 -4.260 -5.841 5.545
176 H GLY 22 HN GLY 22 3.467 -8.986 2.513
177 1HA GLY 22 HA1 GLY 22 5.162 -10.406 2.299
178 2HA GLY 22 HA2 GLY 22 4.083 -11.763 1.850
179 H SER 23 HN SER 23 3.020 -11.572 -0.315
180 HA SER 23 HA SER 23 4.457 -10.136 -2.384
181 1HB SER 23 HB2 SER 23 4.389 -13.232 -2.277
182 2HB SER 23 HB3 SER 23 4.869 -12.260 -3.724
183 HG SER 23 HG SER 23 6.525 -11.376 -2.459
184 H SER 24 HN SER 24 1.731 -11.408 -0.869
185 HA SER 24 HA SER 24 0.043 -11.377 -3.282
186 1HB SER 24 HB2 SER 24 0.052 -13.487 -1.880
187 2HB SER 24 HB3 SER 24 -0.559 -12.543 -0.484
188 HG SER 24 HG SER 24 -1.786 -12.842 -3.041
189 H ALA 25 HN ALA 25 0.699 -8.953 -3.014
190 HA ALA 25 HA ALA 25 -1.079 -7.537 -1.134
191 1HB ALA 25 HB1 ALA 25 1.757 -6.808 -2.120
192 2HB ALA 25 HB2 ALA 25 0.698 -5.718 -1.167
193 3HB ALA 25 HB3 ALA 25 1.286 -7.259 -0.446
194 H GLY 26 HN GLY 26 -2.598 -6.356 -2.171
195 1HA GLY 26 HA1 GLY 26 -2.146 -5.440 -4.936
196 2HA GLY 26 HA2 GLY 26 -3.693 -5.605 -4.019
197 H ALA 27 HN ALA 27 -0.672 -3.766 -4.361
198 HA ALA 27 HA ALA 27 -1.377 -1.926 -2.236
199 1HB ALA 27 HB2 ALA 27 1.152 -2.232 -3.975
200 2HB ALA 27 HB3 ALA 27 0.957 -1.077 -2.602
201 3HB ALA 27 HB1 ALA 27 0.916 -2.845 -2.306
202 H LYS 28 HN LYS 28 -2.558 -0.128 -2.695
203 HA LYS 28 HA LYS 28 -2.471 1.038 -5.408
204 1HB LYS 28 HB2 LYS 28 -4.843 0.848 -3.462
205 2HB LYS 28 HB3 LYS 28 -4.889 1.502 -5.149
206 1HG LYS 28 HG2 LYS 28 -4.213 -0.913 -5.890
207 2HG LYS 28 HG3 LYS 28 -4.491 -1.365 -4.169
208 1HD LYS 28 HD2 LYS 28 -6.507 -1.951 -5.087
209 2HD LYS 28 HD3 LYS 28 -6.894 -0.298 -4.506
210 1HE LYS 28 HE2 LYS 28 -6.132 -1.089 -7.419
211 2HE LYS 28 HE3 LYS 28 -7.816 -0.838 -6.810
212 1HZ LYS 28 HZ1 LYS 28 -5.673 1.215 -6.892
213 2HZ LYS 28 HZ2 LYS 28 -6.979 1.069 -7.969
214 3HZ LYS 28 HZ3 LYS 28 -7.262 1.441 -6.335
215 H CYS 29 HN CYS 29 -2.400 3.240 -5.464
216 HA CYS 29 HA CYS 29 -2.153 4.712 -2.910
217 1HB CYS 29 HB2 CYS 29 0.096 4.330 -3.923
218 2HB CYS 29 HB3 CYS 29 -0.449 5.076 -5.446
219 H MET 30 HN MET 30 -3.801 6.125 -2.798
220 HA MET 30 HA MET 30 -4.731 7.542 -5.208
221 1HB MET 30 HB2 MET 30 -6.394 6.404 -2.896
222 2HB MET 30 HB3 MET 30 -7.016 7.689 -3.984
223 1HG MET 30 HG2 MET 30 -6.641 6.216 -5.962
224 2HG MET 30 HG3 MET 30 -6.107 4.903 -4.872
225 1HE MET 30 HE1 MET 30 -8.170 4.333 -6.951
226 2HE MET 30 HE2 MET 30 -7.685 3.178 -5.662
227 3HE MET 30 HE3 MET 30 -9.425 3.431 -6.033
228 H ASN 31 HN ASN 31 -4.214 9.817 -4.849
229 HA ASN 31 HA ASN 31 -4.147 11.755 -3.938
230 1HB ASN 31 HB2 ASN 31 -5.058 10.649 -1.225
231 2HB ASN 31 HB3 ASN 31 -4.880 12.382 -1.672
232 1HD2 ASN 31 HD22 ASN 31 -8.339 10.469 -2.520
233 2HD2 ASN 31 HD21 ASN 31 -7.123 9.865 -1.444
234 H GLY 32 HN GLY 32 -3.167 10.150 -0.944
235 1HA GLY 32 HA1 GLY 32 -0.535 9.708 -1.613
236 2HA GLY 32 HA2 GLY 32 -0.663 11.254 -0.649
237 H LYS 33 HN LYS 33 -2.329 8.033 -0.723
238 HA LYS 33 HA LYS 33 -1.316 7.283 1.839
239 1HB LYS 33 HB2 LYS 33 -4.296 7.958 1.630
240 2HB LYS 33 HB3 LYS 33 -3.681 6.692 2.751
241 1HG LYS 33 HG2 LYS 33 -2.024 8.431 3.662
242 2HG LYS 33 HG3 LYS 33 -3.044 9.667 2.853
243 1HD LYS 33 HD2 LYS 33 -5.063 8.826 4.086
244 2HD LYS 33 HD3 LYS 33 -4.039 7.591 4.905
245 1HE LYS 33 HE2 LYS 33 -2.686 9.418 5.987
246 2HE LYS 33 HE3 LYS 33 -3.717 10.661 5.161
247 1HZ LYS 33 HZ3 LYS 33 -5.618 9.777 6.325
248 2HZ LYS 33 HZ1 LYS 33 -4.655 8.612 7.098
249 3HZ LYS 33 HZ2 LYS 33 -4.406 10.263 7.410
250 H CYS 34 HN CYS 34 -1.757 5.092 2.250
251 HA CYS 34 HA CYS 34 -1.691 3.588 -0.248
252 1HB CYS 34 HB2 CYS 34 0.381 3.847 1.061
253 2HB CYS 34 HB3 CYS 34 -0.430 3.266 2.537
254 H LYS 35 HN LYS 35 -2.735 1.644 -0.479
255 HA LYS 35 HA LYS 35 -4.513 0.640 1.657
256 1HB LYS 35 HB2 LYS 35 -4.926 0.904 -1.383
257 2HB LYS 35 HB3 LYS 35 -5.926 -0.182 -0.357
258 1HG LYS 35 HG2 LYS 35 -6.629 1.721 1.024
259 2HG LYS 35 HG3 LYS 35 -5.681 2.865 0.031
260 1HD LYS 35 HD2 LYS 35 -7.980 1.084 -0.988
261 2HD LYS 35 HD3 LYS 35 -8.150 2.816 -0.507
262 1HE LYS 35 HE2 LYS 35 -6.657 1.631 -2.926
263 2HE LYS 35 HE3 LYS 35 -8.035 2.789 -2.921
264 1HZ LYS 35 HZ3 LYS 35 -6.575 4.427 -1.924
265 2HZ LYS 35 HZ1 LYS 35 -5.279 3.330 -1.940
266 3HZ LYS 35 HZ2 LYS 35 -5.958 3.863 -3.403
267 H CYS 36 HN CYS 36 -4.324 -1.556 2.002
268 HA CYS 36 HA CYS 36 -2.527 -3.107 0.224
269 1HB CYS 36 HB2 CYS 36 -2.789 -3.442 3.275
270 2HB CYS 36 HB3 CYS 36 -1.726 -4.394 2.084
271 H TYR 37 HN TYR 37 -3.721 -4.542 -0.857
272 HA TYR 37 HA TYR 37 -6.035 -5.818 0.412
273 1HB TYR 37 HB2 TYR 37 -5.308 -5.055 -2.498
274 2HB TYR 37 HB3 TYR 37 -6.675 -6.124 -2.076
275 HD1 TYR 37 HD2 TYR 37 -8.313 -5.198 -0.226
276 HD2 TYR 37 HD1 TYR 37 -5.732 -2.663 -2.574
277 HE1 TYR 37 HE2 TYR 37 -9.794 -3.271 0.197
278 HE2 TYR 37 HE1 TYR 37 -7.254 -0.792 -2.250
279 HH TYR 37 HH TYR 37 -9.185 -0.065 -1.255
280 H ASN 38 HN ASN 38 -6.210 -7.950 -1.356
281 HA ASN 38 HA ASN 38 -3.702 -9.476 -0.962
282 1HB ASN 38 HB2 ASN 38 -6.630 -10.361 -0.496
283 2HB ASN 38 HB3 ASN 38 -5.242 -11.507 -0.635
284 1HD2 ASN 38 HD22 ASN 38 -5.794 -9.314 2.835
285 2HD2 ASN 38 HD21 ASN 38 -6.730 -8.971 1.417
286 H ASN 39 HN ASN 39 -3.068 -8.992 -3.131
287 HA ASN 39 HA ASN 39 -4.534 -10.535 -5.164
288 1HB ASN 39 HB2 ASN 39 -3.440 -7.672 -5.528
289 2HB ASN 39 HB3 ASN 39 -3.914 -8.775 -6.872
290 1HD2 ASN 39 HD22 ASN 39 -6.769 -6.560 -4.988
291 2HD2 ASN 39 HD21 ASN 39 -5.068 -6.331 -4.753
292 1H NH2 40 HT1 ASN 39 -1.324 -11.977 -5.349
293 2H NH2 40 HT2 ASN 39 -3.007 -12.197 -4.999
No H/Q in entry = 293
Start of MODEL 8
1 1H THR 1 HN THR 1 -8.361 -3.774 2.523
2 2H THR 1 HN3 THR 1 -6.813 -4.310 2.970
3 3H THR 1 HN2 THR 1 -8.188 -4.950 3.737
4 HA THR 1 HA THR 1 -8.719 -2.850 4.641
5 HB THR 1 HB THR 1 -7.262 -4.535 5.829
6 HG1 THR 1 HG1 THR 1 -8.075 -2.727 6.867
7 1HG2 THR 1 HG23 THR 1 -5.180 -4.275 4.421
8 2HG2 THR 1 HG21 THR 1 -4.916 -2.633 5.118
9 3HG2 THR 1 HG22 THR 1 -4.866 -4.082 6.177
10 H ILE 2 HN ILE 2 -7.768 -0.649 5.351
11 HA ILE 2 HA ILE 2 -6.262 0.695 3.223
12 HB ILE 2 HB ILE 2 -8.498 1.795 5.027
13 1HG1 ILE 2 HG12 ILE 2 -8.543 1.042 2.038
14 2HG1 ILE 2 HG13 ILE 2 -9.456 0.263 3.361
15 1HG2 ILE 2 HG22 ILE 2 -6.813 3.067 2.762
16 2HG2 ILE 2 HG23 ILE 2 -8.213 3.855 3.585
17 3HG2 ILE 2 HG21 ILE 2 -6.735 3.482 4.513
18 1HD1 ILE 2 HD13 ILE 2 -10.687 2.433 3.781
19 2HD1 ILE 2 HD11 ILE 2 -9.865 3.140 2.337
20 3HD1 ILE 2 HD12 ILE 2 -10.964 1.731 2.144
21 H ILE 3 HN ILE 3 -4.261 1.204 4.026
22 HA ILE 3 HA ILE 3 -3.852 1.439 6.933
23 HB ILE 3 HB ILE 3 -1.593 1.008 6.685
24 1HG1 ILE 3 HG12 ILE 3 -2.036 0.370 3.704
25 2HG1 ILE 3 HG13 ILE 3 -1.306 1.911 4.270
26 1HG2 ILE 3 HG22 ILE 3 -3.345 -0.789 7.028
27 2HG2 ILE 3 HG23 ILE 3 -3.304 -1.125 5.254
28 3HG2 ILE 3 HG21 ILE 3 -1.840 -1.392 6.256
29 1HD1 ILE 3 HD13 ILE 3 0.432 0.673 5.539
30 2HD1 ILE 3 HD11 ILE 3 -0.201 -0.895 4.914
31 3HD1 ILE 3 HD12 ILE 3 0.490 0.295 3.765
32 H ASN 4 HN ASN 4 -1.606 3.009 7.066
33 HA ASN 4 HA ASN 4 -2.279 5.541 5.739
34 1HB ASN 4 HB2 ASN 4 -2.025 6.796 7.892
35 2HB ASN 4 HB3 ASN 4 -3.496 5.796 7.764
36 1HD2 ASN 4 HD22 ASN 4 -0.990 5.255 10.920
37 2HD2 ASN 4 HD21 ASN 4 -0.800 6.530 9.762
38 H VAL 5 HN VAL 5 -0.543 4.839 4.384
39 HA VAL 5 HA VAL 5 2.024 5.816 5.414
40 HB VAL 5 HB VAL 5 1.493 3.344 3.686
41 1HG1 VAL 5 HG11 VAL 5 4.068 5.057 3.724
42 2HG1 VAL 5 HG12 VAL 5 4.021 3.331 3.220
43 3HG1 VAL 5 HG13 VAL 5 3.094 4.525 2.284
44 1HG2 VAL 5 HG22 VAL 5 3.260 3.918 6.153
45 2HG2 VAL 5 HG23 VAL 5 1.728 2.964 6.117
46 3HG2 VAL 5 HG21 VAL 5 3.190 2.352 5.273
47 H LYS 6 HN LYS 6 2.655 7.554 4.316
48 HA LYS 6 HA LYS 6 0.939 8.653 2.341
49 1HB LYS 6 HB2 LYS 6 3.653 9.661 3.391
50 2HB LYS 6 HB3 LYS 6 2.474 10.627 2.435
51 1HG LYS 6 HG2 LYS 6 1.964 9.477 5.255
52 2HG LYS 6 HG3 LYS 6 2.512 11.141 4.865
53 1HD LYS 6 HD2 LYS 6 0.428 11.494 3.497
54 2HD LYS 6 HD3 LYS 6 -0.176 9.886 4.045
55 1HE LYS 6 HE2 LYS 6 -0.159 10.656 6.422
56 2HE LYS 6 HE3 LYS 6 0.553 12.245 5.919
57 1HZ LYS 6 HZ3 LYS 6 -1.416 12.655 4.612
58 2HZ LYS 6 HZ1 LYS 6 -2.089 11.169 5.089
59 3HZ LYS 6 HZ2 LYS 6 -1.803 12.382 6.243
60 H CYS 7 HN CYS 7 1.352 8.890 0.072
61 HA CYS 7 HA CYS 7 3.797 7.715 -1.039
62 1HB CYS 7 HB2 CYS 7 2.694 6.002 -2.284
63 2HB CYS 7 HB3 CYS 7 2.212 5.855 -0.534
64 H THR 8 HN THR 8 3.766 7.849 -3.421
65 HA THR 8 HA THR 8 2.043 9.802 -4.647
66 HB THR 8 HB THR 8 3.859 11.189 -3.652
67 HG1 THR 8 HG1 THR 8 2.875 11.795 -5.567
68 1HG2 THR 8 HG22 THR 8 5.714 9.480 -3.719
69 2HG2 THR 8 HG23 THR 8 5.798 9.648 -5.514
70 3HG2 THR 8 HG21 THR 8 6.176 11.051 -4.458
71 H SER 9 HN SER 9 2.741 6.825 -4.563
72 HA SER 9 HA SER 9 2.688 6.264 -7.290
73 1HB SER 9 HB2 SER 9 4.854 4.968 -7.503
74 2HB SER 9 HB3 SER 9 5.126 6.728 -7.258
75 HG SER 9 HG SER 9 5.314 4.785 -5.249
76 HA PRO 10 HA PRO 10 1.247 2.577 -4.976
77 1HB PRO 10 HB2 PRO 10 1.608 1.129 -7.650
78 2HB PRO 10 HB3 PRO 10 0.219 1.112 -6.497
79 1HG PRO 10 HG2 PRO 10 0.134 2.601 -8.795
80 2HG PRO 10 HG3 PRO 10 -0.487 3.307 -7.243
81 1HD PRO 10 HD2 PRO 10 2.288 3.710 -8.522
82 2HD PRO 10 HD3 PRO 10 1.114 4.960 -7.895
83 H LYS 11 HN LYS 11 4.322 2.664 -6.726
84 HA LYS 11 HA LYS 11 5.541 0.376 -5.641
85 1HB LYS 11 HB2 LYS 11 6.820 2.931 -6.746
86 2HB LYS 11 HB3 LYS 11 7.646 1.345 -6.511
87 1HG LYS 11 HG2 LYS 11 5.327 1.932 -8.457
88 2HG LYS 11 HG3 LYS 11 7.067 1.776 -8.862
89 1HD LYS 11 HD2 LYS 11 7.046 -0.604 -8.083
90 2HD LYS 11 HD3 LYS 11 5.287 -0.466 -7.716
91 1HE LYS 11 HE2 LYS 11 4.808 0.018 -10.136
92 2HE LYS 11 HE3 LYS 11 6.573 -0.131 -10.513
93 1HZ LYS 11 HZ1 LYS 11 4.837 -2.258 -9.371
94 2HZ LYS 11 HZ2 LYS 11 5.374 -2.143 -10.978
95 3HZ LYS 11 HZ3 LYS 11 6.492 -2.399 -9.724
96 H GLN 12 HN GLN 12 4.899 3.539 -4.198
97 HA GLN 12 HA GLN 12 6.852 3.358 -2.110
98 1HB GLN 12 HB2 GLN 12 6.380 5.508 -3.182
99 2HB GLN 12 HB3 GLN 12 4.676 5.327 -2.924
100 1HG GLN 12 HG2 GLN 12 5.694 7.003 -1.440
101 2HG GLN 12 HG3 GLN 12 5.065 5.662 -0.422
102 1HE2 GLN 12 HE22 GLN 12 8.218 6.238 1.195
103 2HE2 GLN 12 HE21 GLN 12 6.538 6.680 1.151
104 H CYS 13 HN CYS 13 3.728 2.125 -2.817
105 HA CYS 13 HA CYS 13 2.872 1.920 -0.020
106 1HB CYS 13 HB2 CYS 13 1.321 3.090 -1.593
107 2HB CYS 13 HB3 CYS 13 1.419 1.745 -2.750
108 H SER 14 HN SER 14 4.361 0.065 -2.658
109 HA SER 14 HA SER 14 3.420 -2.492 -1.643
110 1HB SER 14 HB2 SER 14 4.746 -3.490 -3.464
111 2HB SER 14 HB3 SER 14 3.562 -2.276 -4.041
112 HG SER 14 HG SER 14 5.258 -0.777 -4.144
113 H LYS 15 HN LYS 15 5.538 -0.232 -0.449
114 HA LYS 15 HA LYS 15 7.633 -1.870 0.527
115 1HB LYS 15 HB2 LYS 15 6.679 1.008 0.714
116 2HB LYS 15 HB3 LYS 15 7.873 0.398 1.889
117 1HG LYS 15 HG2 LYS 15 9.373 -0.217 -0.057
118 2HG LYS 15 HG3 LYS 15 8.108 0.413 -1.179
119 1HD LYS 15 HD2 LYS 15 8.313 2.687 -0.123
120 2HD LYS 15 HD3 LYS 15 9.566 2.045 0.993
121 1HE LYS 15 HE2 LYS 15 10.660 3.284 -0.839
122 2HE LYS 15 HE3 LYS 15 11.054 1.523 -1.000
123 1HZ LYS 15 HZ2 LYS 15 8.963 3.011 -2.508
124 2HZ LYS 15 HZ3 LYS 15 10.482 2.522 -3.092
125 3HZ LYS 15 HZ1 LYS 15 9.321 1.358 -2.663
126 HA PRO 16 HA PRO 16 5.057 -1.735 4.594
127 1HB PRO 16 HB2 PRO 16 2.547 -0.568 4.683
128 2HB PRO 16 HB3 PRO 16 4.098 0.324 4.963
129 1HG PRO 16 HG2 PRO 16 2.507 -0.105 2.422
130 2HG PRO 16 HG3 PRO 16 2.960 1.505 3.106
131 1HD PRO 16 HD2 PRO 16 4.514 0.412 1.176
132 2HD PRO 16 HD3 PRO 16 5.336 1.099 2.604
133 H CYS 17 HN CYS 17 2.850 -2.104 1.698
134 HA CYS 17 HA CYS 17 1.243 -4.049 2.775
135 1HB CYS 17 HB2 CYS 17 1.725 -3.445 -0.198
136 2HB CYS 17 HB3 CYS 17 0.360 -4.405 0.477
137 H LYS 18 HN LYS 18 4.353 -4.401 0.902
138 HA LYS 18 HA LYS 18 4.061 -7.302 0.781
139 1HB LYS 18 HB2 LYS 18 6.283 -5.470 -0.198
140 2HB LYS 18 HB3 LYS 18 6.278 -7.267 -0.342
141 1HG LYS 18 HG2 LYS 18 4.078 -7.127 -1.570
142 2HG LYS 18 HG3 LYS 18 4.198 -5.335 -1.484
143 1HD LYS 18 HD2 LYS 18 4.918 -5.999 -3.683
144 2HD LYS 18 HD3 LYS 18 6.382 -5.468 -2.783
145 1HE LYS 18 HE2 LYS 18 6.996 -7.900 -2.388
146 2HE LYS 18 HE3 LYS 18 5.500 -8.403 -3.276
147 1HZ LYS 18 HZ3 LYS 18 6.350 -7.293 -5.225
148 2HZ LYS 18 HZ1 LYS 18 7.752 -6.817 -4.392
149 3HZ LYS 18 HZ2 LYS 18 7.442 -8.465 -4.659
150 H GLU 19 HN GLU 19 5.161 -4.969 3.038
151 HA GLU 19 HA GLU 19 6.760 -6.862 4.576
152 1HB GLU 19 HB2 GLU 19 7.239 -4.413 4.476
153 2HB GLU 19 HB3 GLU 19 5.742 -4.095 5.399
154 1HG GLU 19 HG2 GLU 19 6.683 -5.439 7.335
155 2HG GLU 19 HG3 GLU 19 8.168 -5.767 6.365
156 H LEU 20 HN LEU 20 3.404 -6.007 4.197
157 HA LEU 20 HA LEU 20 2.488 -7.168 6.712
158 1HB LEU 20 HB2 LEU 20 1.156 -5.656 4.399
159 2HB LEU 20 HB3 LEU 20 0.162 -6.474 5.681
160 HG LEU 20 HG LEU 20 2.043 -4.123 6.032
161 1HD1 LEU 20 HD12 LEU 20 -0.140 -3.625 4.993
162 2HD1 LEU 20 HD13 LEU 20 -0.996 -4.399 6.377
163 3HD1 LEU 20 HD11 LEU 20 -0.014 -2.907 6.642
164 1HD2 LEU 20 HD21 LEU 20 0.483 -5.667 8.202
165 2HD2 LEU 20 HD22 LEU 20 2.278 -5.514 8.077
166 3HD2 LEU 20 HD23 LEU 20 1.278 -4.064 8.430
167 H TYR 21 HN TYR 21 1.544 -7.484 3.247
168 HA TYR 21 HA TYR 21 0.305 -10.043 3.729
169 1HB TYR 21 HB2 TYR 21 0.149 -7.995 1.437
170 2HB TYR 21 HB3 TYR 21 -0.698 -9.584 1.393
171 HD1 TYR 21 HD2 TYR 21 -0.589 -6.274 3.184
172 HD2 TYR 21 HD1 TYR 21 -2.538 -10.088 2.762
173 HE1 TYR 21 HE2 TYR 21 -2.492 -5.453 4.520
174 HE2 TYR 21 HE1 TYR 21 -4.451 -9.261 4.074
175 HH TYR 21 HH TYR 21 -4.515 -5.934 5.410
176 H GLY 22 HN GLY 22 3.347 -8.946 2.500
177 1HA GLY 22 HA1 GLY 22 5.025 -10.390 2.373
178 2HA GLY 22 HA2 GLY 22 3.950 -11.731 1.875
179 H SER 23 HN SER 23 3.029 -11.561 -0.352
180 HA SER 23 HA SER 23 4.705 -10.247 -2.339
181 1HB SER 23 HB2 SER 23 4.388 -13.320 -2.170
182 2HB SER 23 HB3 SER 23 5.065 -12.425 -3.589
183 HG SER 23 HG SER 23 6.666 -11.632 -2.198
184 H SER 24 HN SER 24 1.800 -11.555 -1.068
185 HA SER 24 HA SER 24 0.299 -11.259 -3.581
186 1HB SER 24 HB2 SER 24 0.139 -13.462 -2.369
187 2HB SER 24 HB3 SER 24 -0.540 -12.618 -0.941
188 HG SER 24 HG SER 24 -2.219 -11.898 -2.364
189 H ALA 25 HN ALA 25 0.793 -8.844 -3.240
190 HA ALA 25 HA ALA 25 -0.992 -7.567 -1.273
191 1HB ALA 25 HB3 ALA 25 1.852 -6.742 -2.181
192 2HB ALA 25 HB1 ALA 25 0.769 -5.737 -1.161
193 3HB ALA 25 HB2 ALA 25 1.383 -7.310 -0.547
194 H GLY 26 HN GLY 26 -2.575 -6.480 -2.351
195 1HA GLY 26 HA1 GLY 26 -2.111 -5.449 -5.064
196 2HA GLY 26 HA2 GLY 26 -3.653 -5.669 -4.150
197 H ALA 27 HN ALA 27 -0.639 -3.767 -4.380
198 HA ALA 27 HA ALA 27 -1.433 -1.962 -2.265
199 1HB ALA 27 HB1 ALA 27 1.138 -2.175 -3.955
200 2HB ALA 27 HB2 ALA 27 0.888 -1.068 -2.550
201 3HB ALA 27 HB3 ALA 27 0.876 -2.846 -2.313
202 H LYS 28 HN LYS 28 -2.576 -0.124 -2.683
203 HA LYS 28 HA LYS 28 -2.512 1.064 -5.386
204 1HB LYS 28 HB2 LYS 28 -4.856 0.849 -3.406
205 2HB LYS 28 HB3 LYS 28 -4.937 1.536 -5.083
206 1HG LYS 28 HG2 LYS 28 -4.258 -0.826 -5.893
207 2HG LYS 28 HG3 LYS 28 -4.540 -1.361 -4.190
208 1HD LYS 28 HD2 LYS 28 -6.896 -0.503 -4.335
209 2HD LYS 28 HD3 LYS 28 -6.613 -0.025 -6.045
210 1HE LYS 28 HE2 LYS 28 -6.209 -2.419 -6.674
211 2HE LYS 28 HE3 LYS 28 -6.422 -2.920 -4.947
212 1HZ LYS 28 HZ3 LYS 28 -8.668 -2.078 -5.035
213 2HZ LYS 28 HZ1 LYS 28 -8.471 -1.610 -6.657
214 3HZ LYS 28 HZ2 LYS 28 -8.403 -3.254 -6.232
215 H CYS 29 HN CYS 29 -2.431 3.257 -5.423
216 HA CYS 29 HA CYS 29 -2.152 4.719 -2.865
217 1HB CYS 29 HB2 CYS 29 0.090 4.330 -3.888
218 2HB CYS 29 HB3 CYS 29 -0.462 5.061 -5.416
219 H MET 30 HN MET 30 -3.784 6.160 -2.743
220 HA MET 30 HA MET 30 -4.730 7.548 -5.159
221 1HB MET 30 HB2 MET 30 -6.421 6.459 -2.832
222 2HB MET 30 HB3 MET 30 -7.043 7.627 -4.043
223 1HG MET 30 HG2 MET 30 -6.047 4.786 -4.620
224 2HG MET 30 HG3 MET 30 -7.747 5.322 -4.508
225 1HE MET 30 HE3 MET 30 -8.049 3.994 -6.710
226 2HE MET 30 HE1 MET 30 -7.136 4.284 -8.231
227 3HE MET 30 HE2 MET 30 -6.288 3.642 -6.782
228 H ASN 31 HN ASN 31 -4.255 9.827 -4.793
229 HA ASN 31 HA ASN 31 -4.190 11.761 -3.878
230 1HB ASN 31 HB2 ASN 31 -5.131 10.645 -1.178
231 2HB ASN 31 HB3 ASN 31 -4.953 12.383 -1.614
232 1HD2 ASN 31 HD22 ASN 31 -7.764 12.386 -3.942
233 2HD2 ASN 31 HD21 ASN 31 -6.155 13.004 -3.773
234 H GLY 32 HN GLY 32 -3.235 10.157 -0.875
235 1HA GLY 32 HA1 GLY 32 -0.578 9.764 -1.508
236 2HA GLY 32 HA2 GLY 32 -0.762 11.291 -0.525
237 H LYS 33 HN LYS 33 -2.377 8.045 -0.673
238 HA LYS 33 HA LYS 33 -1.334 7.257 1.860
239 1HB LYS 33 HB2 LYS 33 -4.306 7.947 1.717
240 2HB LYS 33 HB3 LYS 33 -3.720 6.594 2.744
241 1HG LYS 33 HG2 LYS 33 -1.980 8.259 3.715
242 2HG LYS 33 HG3 LYS 33 -3.077 9.539 3.094
243 1HD LYS 33 HD2 LYS 33 -4.989 8.525 4.371
244 2HD LYS 33 HD3 LYS 33 -3.903 7.207 4.945
245 1HE LYS 33 HE2 LYS 33 -2.474 8.914 6.145
246 2HE LYS 33 HE3 LYS 33 -3.621 10.215 5.616
247 1HZ LYS 33 HZ3 LYS 33 -5.371 9.068 6.795
248 2HZ LYS 33 HZ1 LYS 33 -4.293 7.853 7.293
249 3HZ LYS 33 HZ2 LYS 33 -4.079 9.451 7.829
250 H CYS 34 HN CYS 34 -1.772 5.069 2.267
251 HA CYS 34 HA CYS 34 -1.707 3.567 -0.232
252 1HB CYS 34 HB2 CYS 34 0.375 3.840 1.059
253 2HB CYS 34 HB3 CYS 34 -0.421 3.262 2.544
254 H LYS 35 HN LYS 35 -2.777 1.635 -0.459
255 HA LYS 35 HA LYS 35 -4.508 0.615 1.709
256 1HB LYS 35 HB2 LYS 35 -4.971 0.958 -1.310
257 2HB LYS 35 HB3 LYS 35 -5.932 -0.202 -0.332
258 1HG LYS 35 HG2 LYS 35 -6.770 1.564 1.097
259 2HG LYS 35 HG3 LYS 35 -5.769 2.805 0.294
260 1HD LYS 35 HD2 LYS 35 -7.974 1.134 -1.072
261 2HD LYS 35 HD3 LYS 35 -8.191 2.803 -0.418
262 1HE LYS 35 HE2 LYS 35 -6.501 1.890 -2.823
263 2HE LYS 35 HE3 LYS 35 -7.888 3.040 -2.810
264 1HZ LYS 35 HZ1 LYS 35 -5.228 3.476 -1.548
265 2HZ LYS 35 HZ2 LYS 35 -5.788 4.164 -2.997
266 3HZ LYS 35 HZ3 LYS 35 -6.533 4.564 -1.524
267 H CYS 36 HN CYS 36 -4.303 -1.595 2.025
268 HA CYS 36 HA CYS 36 -2.511 -3.104 0.209
269 1HB CYS 36 HB2 CYS 36 -2.823 -3.511 3.243
270 2HB CYS 36 HB3 CYS 36 -1.739 -4.432 2.049
271 H TYR 37 HN TYR 37 -3.647 -4.563 -0.910
272 HA TYR 37 HA TYR 37 -5.930 -5.922 0.326
273 1HB TYR 37 HB2 TYR 37 -5.312 -5.019 -2.575
274 2HB TYR 37 HB3 TYR 37 -6.654 -6.106 -2.130
275 HD1 TYR 37 HD1 TYR 37 -8.195 -5.219 -0.144
276 HD2 TYR 37 HD2 TYR 37 -5.781 -2.637 -2.620
277 HE1 TYR 37 HE1 TYR 37 -9.643 -3.303 0.409
278 HE2 TYR 37 HE2 TYR 37 -7.271 -0.784 -2.170
279 HH TYR 37 HH TYR 37 -9.118 -0.066 -1.016
280 H ASN 38 HN ASN 38 -5.776 -7.734 -2.077
281 HA ASN 38 HA ASN 38 -3.231 -9.148 -1.673
282 1HB ASN 38 HB2 ASN 38 -6.065 -10.385 -1.520
283 2HB ASN 38 HB3 ASN 38 -4.568 -11.352 -1.793
284 1HD2 ASN 38 HD21 ASN 38 -5.521 -10.075 1.993
285 2HD2 ASN 38 HD22 ASN 38 -6.512 -9.684 0.627
286 H ASN 39 HN ASN 39 -2.683 -10.434 -3.542
287 HA ASN 39 HA ASN 39 -3.851 -9.535 -6.064
288 1HB ASN 39 HB2 ASN 39 -1.483 -11.388 -5.394
289 2HB ASN 39 HB3 ASN 39 -2.049 -11.021 -7.069
290 1HD2 ASN 39 HD21 ASN 39 0.800 -8.693 -5.865
291 2HD2 ASN 39 HD22 ASN 39 0.574 -10.399 -5.664
292 1H NH2 40 HT1 ASN 39 -5.859 -12.368 -6.667
293 2H NH2 40 HT2 ASN 39 -5.500 -10.701 -6.975
No H/Q in entry = 293
Start of MODEL 9
1 1H THR 1 HN3 THR 1 -8.163 -2.176 6.763
2 2H THR 1 HN2 THR 1 -9.146 -2.349 5.389
3 3H THR 1 HN THR 1 -8.957 -3.650 6.466
4 HA THR 1 HA THR 1 -6.673 -3.803 5.965
5 HB THR 1 HB THR 1 -8.444 -5.082 4.742
6 HG1 THR 1 HG1 THR 1 -7.111 -5.783 3.104
7 1HG2 THR 1 HG22 THR 1 -9.454 -3.152 3.453
8 2HG2 THR 1 HG23 THR 1 -7.978 -3.081 2.418
9 3HG2 THR 1 HG21 THR 1 -9.012 -4.549 2.410
10 H ILE 2 HN ILE 2 -7.664 -0.727 5.576
11 HA ILE 2 HA ILE 2 -5.727 0.138 3.550
12 HB ILE 2 HB ILE 2 -8.172 1.481 4.811
13 1HG1 ILE 2 HG12 ILE 2 -7.617 0.437 1.959
14 2HG1 ILE 2 HG13 ILE 2 -8.667 -0.344 3.176
15 1HG2 ILE 2 HG22 ILE 2 -6.035 2.578 2.860
16 2HG2 ILE 2 HG23 ILE 2 -7.655 3.332 3.087
17 3HG2 ILE 2 HG21 ILE 2 -6.514 3.251 4.452
18 1HD1 ILE 2 HD11 ILE 2 -10.167 1.680 3.204
19 2HD1 ILE 2 HD12 ILE 2 -9.177 2.404 1.880
20 3HD1 ILE 2 HD13 ILE 2 -10.069 0.871 1.596
21 H ILE 3 HN ILE 3 -3.905 1.033 4.209
22 HA ILE 3 HA ILE 3 -3.448 1.415 7.095
23 HB ILE 3 HB ILE 3 -1.134 1.077 6.706
24 1HG1 ILE 3 HG12 ILE 3 -1.908 0.266 3.828
25 2HG1 ILE 3 HG13 ILE 3 -1.109 1.825 4.233
26 1HG2 ILE 3 HG23 ILE 3 -2.803 -0.694 7.367
27 2HG2 ILE 3 HG21 ILE 3 -2.961 -1.166 5.633
28 3HG2 ILE 3 HG22 ILE 3 -1.385 -1.343 6.481
29 1HD1 ILE 3 HD13 ILE 3 0.749 0.623 5.352
30 2HD1 ILE 3 HD11 ILE 3 0.025 -0.961 4.899
31 3HD1 ILE 3 HD12 ILE 3 0.600 0.147 3.608
32 H ASN 4 HN ASN 4 -1.393 2.970 7.394
33 HA ASN 4 HA ASN 4 -2.185 5.608 6.318
34 1HB ASN 4 HB2 ASN 4 -1.177 4.891 9.150
35 2HB ASN 4 HB3 ASN 4 -1.599 6.544 8.556
36 1HD2 ASN 4 HD22 ASN 4 -5.193 5.876 8.482
37 2HD2 ASN 4 HD21 ASN 4 -3.952 6.659 7.562
38 H VAL 5 HN VAL 5 -0.516 4.776 4.633
39 HA VAL 5 HA VAL 5 2.107 5.861 5.384
40 HB VAL 5 HB VAL 5 1.486 3.367 3.710
41 1HG1 VAL 5 HG13 VAL 5 4.058 5.088 3.632
42 2HG1 VAL 5 HG11 VAL 5 3.965 3.381 3.069
43 3HG1 VAL 5 HG12 VAL 5 2.995 4.615 2.238
44 1HG2 VAL 5 HG23 VAL 5 3.386 3.943 6.075
45 2HG2 VAL 5 HG21 VAL 5 1.865 2.970 6.118
46 3HG2 VAL 5 HG22 VAL 5 3.285 2.382 5.187
47 H LYS 6 HN LYS 6 2.684 7.543 4.216
48 HA LYS 6 HA LYS 6 0.795 8.553 2.298
49 1HB LYS 6 HB2 LYS 6 3.414 9.844 3.275
50 2HB LYS 6 HB3 LYS 6 2.036 10.652 2.442
51 1HG LYS 6 HG2 LYS 6 2.046 9.411 5.268
52 2HG LYS 6 HG3 LYS 6 2.139 11.152 4.854
53 1HD LYS 6 HD2 LYS 6 -0.146 11.054 3.850
54 2HD LYS 6 HD3 LYS 6 -0.256 9.304 4.267
55 1HE LYS 6 HE2 LYS 6 -0.038 9.848 6.707
56 2HE LYS 6 HE3 LYS 6 0.072 11.611 6.306
57 1HZ LYS 6 HZ2 LYS 6 -2.221 9.816 5.706
58 2HZ LYS 6 HZ3 LYS 6 -2.131 10.963 6.957
59 3HZ LYS 6 HZ1 LYS 6 -2.118 11.471 5.336
60 H CYS 7 HN CYS 7 1.220 8.723 0.016
61 HA CYS 7 HA CYS 7 3.771 7.655 -1.006
62 1HB CYS 7 HB2 CYS 7 2.685 5.986 -2.352
63 2HB CYS 7 HB3 CYS 7 2.200 5.785 -0.609
64 H THR 8 HN THR 8 3.678 7.754 -3.481
65 HA THR 8 HA THR 8 2.025 9.740 -4.674
66 HB THR 8 HB THR 8 3.774 11.172 -3.629
67 HG1 THR 8 HG1 THR 8 2.840 11.759 -5.572
68 1HG2 THR 8 HG23 THR 8 5.673 9.511 -3.635
69 2HG2 THR 8 HG21 THR 8 5.814 9.686 -5.425
70 3HG2 THR 8 HG22 THR 8 6.119 11.096 -4.355
71 H SER 9 HN SER 9 2.619 6.813 -4.643
72 HA SER 9 HA SER 9 2.787 6.229 -7.337
73 1HB SER 9 HB2 SER 9 4.971 4.957 -7.429
74 2HB SER 9 HB3 SER 9 5.226 6.716 -7.155
75 HG SER 9 HG SER 9 6.538 5.478 -5.889
76 HA PRO 10 HA PRO 10 1.217 2.611 -5.009
77 1HB PRO 10 HB2 PRO 10 1.643 1.087 -7.625
78 2HB PRO 10 HB3 PRO 10 0.224 1.124 -6.514
79 1HG PRO 10 HG2 PRO 10 0.234 2.558 -8.856
80 2HG PRO 10 HG3 PRO 10 -0.425 3.311 -7.342
81 1HD PRO 10 HD2 PRO 10 2.394 3.643 -8.542
82 2HD PRO 10 HD3 PRO 10 1.222 4.925 -7.977
83 H LYS 11 HN LYS 11 4.370 2.568 -6.644
84 HA LYS 11 HA LYS 11 5.409 0.246 -5.395
85 1HB LYS 11 HB2 LYS 11 6.885 2.579 -6.716
86 2HB LYS 11 HB3 LYS 11 7.567 0.951 -6.345
87 1HG LYS 11 HG2 LYS 11 5.299 1.594 -8.325
88 2HG LYS 11 HG3 LYS 11 7.001 1.197 -8.725
89 1HD LYS 11 HD2 LYS 11 6.740 -1.077 -7.754
90 2HD LYS 11 HD3 LYS 11 5.033 -0.728 -7.317
91 1HE LYS 11 HE2 LYS 11 6.149 -0.752 -10.199
92 2HE LYS 11 HE3 LYS 11 5.193 -2.074 -9.409
93 1HZ LYS 11 HZ2 LYS 11 3.372 -0.539 -9.152
94 2HZ LYS 11 HZ3 LYS 11 4.261 0.707 -9.886
95 3HZ LYS 11 HZ1 LYS 11 3.832 -0.670 -10.782
96 H GLN 12 HN GLN 12 4.889 3.483 -4.118
97 HA GLN 12 HA GLN 12 6.832 3.314 -2.013
98 1HB GLN 12 HB2 GLN 12 6.370 5.462 -3.104
99 2HB GLN 12 HB3 GLN 12 4.674 5.313 -2.810
100 1HG GLN 12 HG2 GLN 12 5.848 6.960 -1.307
101 2HG GLN 12 HG3 GLN 12 5.125 5.654 -0.314
102 1HE2 GLN 12 HE22 GLN 12 9.293 5.704 -0.916
103 2HE2 GLN 12 HE21 GLN 12 8.230 6.263 -2.164
104 H CYS 13 HN CYS 13 3.767 2.025 -2.752
105 HA CYS 13 HA CYS 13 2.863 1.807 0.027
106 1HB CYS 13 HB2 CYS 13 1.357 3.044 -1.549
107 2HB CYS 13 HB3 CYS 13 1.420 1.705 -2.713
108 H SER 14 HN SER 14 4.371 0.095 -2.648
109 HA SER 14 HA SER 14 3.538 -2.556 -1.832
110 1HB SER 14 HB2 SER 14 5.636 -1.569 -3.872
111 2HB SER 14 HB3 SER 14 5.192 -3.299 -3.601
112 HG SER 14 HG SER 14 3.075 -2.745 -4.158
113 H LYS 15 HN LYS 15 5.590 -0.232 -0.523
114 HA LYS 15 HA LYS 15 7.712 -1.853 0.436
115 1HB LYS 15 HB2 LYS 15 6.750 1.019 0.613
116 2HB LYS 15 HB3 LYS 15 7.940 0.427 1.801
117 1HG LYS 15 HG2 LYS 15 9.460 -0.194 -0.123
118 2HG LYS 15 HG3 LYS 15 8.200 0.411 -1.264
119 1HD LYS 15 HD2 LYS 15 8.371 2.695 -0.214
120 2HD LYS 15 HD3 LYS 15 9.636 2.076 0.899
121 1HE LYS 15 HE2 LYS 15 10.710 3.319 -0.936
122 2HE LYS 15 HE3 LYS 15 11.117 1.563 -1.107
123 1HZ LYS 15 HZ3 LYS 15 9.005 3.040 -2.593
124 2HZ LYS 15 HZ1 LYS 15 10.522 2.566 -3.191
125 3HZ LYS 15 HZ2 LYS 15 9.374 1.390 -2.758
126 HA PRO 16 HA PRO 16 5.226 -1.711 4.546
127 1HB PRO 16 HB2 PRO 16 2.712 -0.574 4.690
128 2HB PRO 16 HB3 PRO 16 4.260 0.331 4.929
129 1HG PRO 16 HG2 PRO 16 2.609 -0.108 2.430
130 2HG PRO 16 HG3 PRO 16 3.079 1.503 3.098
131 1HD PRO 16 HD2 PRO 16 4.580 0.405 1.130
132 2HD PRO 16 HD3 PRO 16 5.442 1.093 2.540
133 H CYS 17 HN CYS 17 2.880 -2.117 1.753
134 HA CYS 17 HA CYS 17 1.398 -4.137 2.901
135 1HB CYS 17 HB2 CYS 17 1.644 -3.445 -0.070
136 2HB CYS 17 HB3 CYS 17 0.360 -4.458 0.677
137 H LYS 18 HN LYS 18 4.430 -4.388 0.884
138 HA LYS 18 HA LYS 18 4.166 -7.293 0.794
139 1HB LYS 18 HB2 LYS 18 6.310 -5.488 -0.359
140 2HB LYS 18 HB3 LYS 18 6.294 -7.286 -0.462
141 1HG LYS 18 HG2 LYS 18 4.020 -7.206 -1.474
142 2HG LYS 18 HG3 LYS 18 4.109 -5.408 -1.498
143 1HD LYS 18 HD2 LYS 18 6.000 -5.488 -3.092
144 2HD LYS 18 HD3 LYS 18 6.127 -7.273 -2.909
145 1HE LYS 18 HE2 LYS 18 4.995 -6.671 -5.059
146 2HE LYS 18 HE3 LYS 18 3.887 -7.591 -3.962
147 1HZ LYS 18 HZ3 LYS 18 3.927 -4.641 -4.331
148 2HZ LYS 18 HZ1 LYS 18 2.804 -5.731 -4.993
149 3HZ LYS 18 HZ2 LYS 18 2.887 -5.513 -3.310
150 H GLU 19 HN GLU 19 5.322 -4.965 2.991
151 HA GLU 19 HA GLU 19 7.026 -6.836 4.445
152 1HB GLU 19 HB2 GLU 19 7.474 -4.389 4.348
153 2HB GLU 19 HB3 GLU 19 5.998 -4.088 5.315
154 1HG GLU 19 HG2 GLU 19 7.012 -5.408 7.226
155 2HG GLU 19 HG3 GLU 19 8.460 -5.743 6.203
156 H LEU 20 HN LEU 20 3.646 -6.010 4.231
157 HA LEU 20 HA LEU 20 2.856 -7.205 6.770
158 1HB LEU 20 HB2 LEU 20 1.409 -5.696 4.531
159 2HB LEU 20 HB3 LEU 20 0.486 -6.503 5.875
160 HG LEU 20 HG LEU 20 2.443 -4.195 6.127
161 1HD1 LEU 20 HD13 LEU 20 0.285 -3.587 5.114
162 2HD1 LEU 20 HD11 LEU 20 -0.602 -4.323 6.502
163 3HD1 LEU 20 HD12 LEU 20 0.450 -2.879 6.763
164 1HD2 LEU 20 HD21 LEU 20 0.840 -5.637 8.337
165 2HD2 LEU 20 HD22 LEU 20 2.638 -5.585 8.181
166 3HD2 LEU 20 HD23 LEU 20 1.726 -4.078 8.537
167 H TYR 21 HN TYR 21 1.803 -7.519 3.326
168 HA TYR 21 HA TYR 21 0.552 -10.063 3.867
169 1HB TYR 21 HB2 TYR 21 0.316 -8.077 1.531
170 2HB TYR 21 HB3 TYR 21 -0.594 -9.628 1.633
171 HD1 TYR 21 HD2 TYR 21 -0.213 -6.228 3.202
172 HD2 TYR 21 HD1 TYR 21 -2.359 -9.961 3.188
173 HE1 TYR 21 HE2 TYR 21 -1.963 -5.233 4.604
174 HE2 TYR 21 HE1 TYR 21 -4.138 -8.943 4.559
175 HH TYR 21 HH TYR 21 -4.858 -7.092 5.628
176 H GLY 22 HN GLY 22 3.575 -9.038 2.590
177 1HA GLY 22 HA1 GLY 22 5.204 -10.531 2.378
178 2HA GLY 22 HA2 GLY 22 4.079 -11.812 1.830
179 H SER 23 HN SER 23 3.126 -11.500 -0.378
180 HA SER 23 HA SER 23 4.637 -9.971 -2.291
181 1HB SER 23 HB2 SER 23 6.055 -12.090 -1.887
182 2HB SER 23 HB3 SER 23 4.675 -13.064 -2.487
183 HG SER 23 HG SER 23 4.865 -11.834 -4.436
184 H SER 24 HN SER 24 1.925 -11.458 -0.966
185 HA SER 24 HA SER 24 0.288 -11.297 -3.404
186 1HB SER 24 HB2 SER 24 0.259 -13.466 -2.111
187 2HB SER 24 HB3 SER 24 -0.363 -12.591 -0.676
188 HG SER 24 HG SER 24 -1.977 -13.570 -1.932
189 H ALA 25 HN ALA 25 0.810 -8.871 -3.115
190 HA ALA 25 HA ALA 25 -0.976 -7.564 -1.170
191 1HB ALA 25 HB1 ALA 25 1.857 -6.718 -2.083
192 2HB ALA 25 HB2 ALA 25 0.758 -5.721 -1.071
193 3HB ALA 25 HB3 ALA 25 1.396 -7.283 -0.443
194 H GLY 26 HN GLY 26 -2.463 -6.359 -2.172
195 1HA GLY 26 HA1 GLY 26 -2.038 -5.400 -4.932
196 2HA GLY 26 HA2 GLY 26 -3.581 -5.615 -4.020
197 H ALA 27 HN ALA 27 -0.636 -3.672 -4.384
198 HA ALA 27 HA ALA 27 -1.371 -1.861 -2.234
199 1HB ALA 27 HB2 ALA 27 1.131 -2.140 -4.007
200 2HB ALA 27 HB3 ALA 27 0.938 -0.934 -2.679
201 3HB ALA 27 HB1 ALA 27 0.945 -2.691 -2.310
202 H LYS 28 HN LYS 28 -2.609 -0.065 -2.688
203 HA LYS 28 HA LYS 28 -2.520 1.091 -5.406
204 1HB LYS 28 HB2 LYS 28 -4.891 0.927 -3.453
205 2HB LYS 28 HB3 LYS 28 -4.936 1.565 -5.142
206 1HG LYS 28 HG2 LYS 28 -4.250 -0.848 -5.871
207 2HG LYS 28 HG3 LYS 28 -4.552 -1.299 -4.156
208 1HD LYS 28 HD2 LYS 28 -6.540 -1.896 -5.145
209 2HD LYS 28 HD3 LYS 28 -6.955 -0.270 -4.515
210 1HE LYS 28 HE2 LYS 28 -6.135 -0.931 -7.441
211 2HE LYS 28 HE3 LYS 28 -7.836 -0.762 -6.850
212 1HZ LYS 28 HZ1 LYS 28 -7.370 1.511 -6.273
213 2HZ LYS 28 HZ2 LYS 28 -5.767 1.366 -6.814
214 3HZ LYS 28 HZ3 LYS 28 -7.051 1.218 -7.916
215 H CYS 29 HN CYS 29 -2.463 3.301 -5.472
216 HA CYS 29 HA CYS 29 -2.133 4.774 -2.925
217 1HB CYS 29 HB2 CYS 29 0.069 4.375 -4.042
218 2HB CYS 29 HB3 CYS 29 -0.531 5.156 -5.527
219 H MET 30 HN MET 30 -3.943 5.919 -2.738
220 HA MET 30 HA MET 30 -5.038 7.384 -5.051
221 1HB MET 30 HB2 MET 30 -6.443 6.254 -2.573
222 2HB MET 30 HB3 MET 30 -7.190 7.466 -3.675
223 1HG MET 30 HG2 MET 30 -6.748 5.869 -5.605
224 2HG MET 30 HG3 MET 30 -6.298 4.623 -4.398
225 1HE MET 30 HE1 MET 30 -8.011 3.099 -5.564
226 2HE MET 30 HE2 MET 30 -9.742 3.488 -5.851
227 3HE MET 30 HE3 MET 30 -8.459 4.421 -6.698
228 H ASN 31 HN ASN 31 -4.483 9.655 -4.799
229 HA ASN 31 HA ASN 31 -4.346 11.619 -3.973
230 1HB ASN 31 HB2 ASN 31 -6.244 11.075 -2.418
231 2HB ASN 31 HB3 ASN 31 -5.064 10.663 -1.143
232 1HD2 ASN 31 HD22 ASN 31 -5.555 14.648 -2.395
233 2HD2 ASN 31 HD21 ASN 31 -5.886 13.343 -3.485
234 H GLY 32 HN GLY 32 -3.192 10.139 -0.981
235 1HA GLY 32 HA1 GLY 32 -0.588 9.642 -1.761
236 2HA GLY 32 HA2 GLY 32 -0.679 11.216 -0.835
237 H LYS 33 HN LYS 33 -2.358 8.010 -0.778
238 HA LYS 33 HA LYS 33 -1.367 7.340 1.840
239 1HB LYS 33 HB2 LYS 33 -4.360 7.911 1.435
240 2HB LYS 33 HB3 LYS 33 -3.753 6.762 2.680
241 1HG LYS 33 HG2 LYS 33 -2.258 8.642 3.571
242 2HG LYS 33 HG3 LYS 33 -3.144 9.758 2.487
243 1HD LYS 33 HD2 LYS 33 -4.187 9.985 4.609
244 2HD LYS 33 HD3 LYS 33 -5.331 9.070 3.567
245 1HE LYS 33 HE2 LYS 33 -4.628 6.920 4.716
246 2HE LYS 33 HE3 LYS 33 -3.460 7.861 5.732
247 1HZ LYS 33 HZ2 LYS 33 -5.320 9.109 6.602
248 2HZ LYS 33 HZ3 LYS 33 -6.411 8.222 5.650
249 3HZ LYS 33 HZ1 LYS 33 -5.516 7.443 6.866
250 H CYS 34 HN CYS 34 -1.718 5.141 2.242
251 HA CYS 34 HA CYS 34 -1.649 3.604 -0.234
252 1HB CYS 34 HB2 CYS 34 0.425 3.870 1.065
253 2HB CYS 34 HB3 CYS 34 -0.386 3.315 2.551
254 H LYS 35 HN LYS 35 -2.787 1.754 -0.508
255 HA LYS 35 HA LYS 35 -4.504 0.715 1.656
256 1HB LYS 35 HB2 LYS 35 -4.936 0.716 -1.405
257 2HB LYS 35 HB3 LYS 35 -5.916 -0.189 -0.194
258 1HG LYS 35 HG2 LYS 35 -6.413 2.003 0.926
259 2HG LYS 35 HG3 LYS 35 -5.705 2.871 -0.480
260 1HD LYS 35 HD2 LYS 35 -7.942 0.768 -0.663
261 2HD LYS 35 HD3 LYS 35 -8.283 2.524 -0.420
262 1HE LYS 35 HE2 LYS 35 -7.207 3.057 -2.619
263 2HE LYS 35 HE3 LYS 35 -6.835 1.303 -2.862
264 1HZ LYS 35 HZ2 LYS 35 -9.175 0.831 -2.792
265 2HZ LYS 35 HZ3 LYS 35 -9.543 2.474 -2.561
266 3HZ LYS 35 HZ1 LYS 35 -8.814 1.963 -4.008
267 H CYS 36 HN CYS 36 -4.429 -1.508 1.909
268 HA CYS 36 HA CYS 36 -2.602 -3.065 0.155
269 1HB CYS 36 HB2 CYS 36 -3.143 -3.693 3.107
270 2HB CYS 36 HB3 CYS 36 -2.033 -4.558 1.898
271 H TYR 37 HN TYR 37 -3.478 -4.960 -0.677
272 HA TYR 37 HA TYR 37 -6.023 -5.951 0.299
273 1HB TYR 37 HB2 TYR 37 -5.184 -5.150 -2.584
274 2HB TYR 37 HB3 TYR 37 -6.521 -6.277 -2.238
275 HD1 TYR 37 HD1 TYR 37 -8.337 -5.434 -0.546
276 HD2 TYR 37 HD2 TYR 37 -5.656 -2.775 -2.622
277 HE1 TYR 37 HE1 TYR 37 -9.889 -3.558 -0.178
278 HE2 TYR 37 HE2 TYR 37 -7.212 -0.935 -2.318
279 HH TYR 37 HH TYR 37 -9.232 -0.280 -1.460
280 H ASN 38 HN ASN 38 -5.931 -8.044 -1.703
281 HA ASN 38 HA ASN 38 -3.349 -9.396 -1.251
282 1HB ASN 38 HB2 ASN 38 -6.174 -10.544 -0.747
283 2HB ASN 38 HB3 ASN 38 -4.723 -11.582 -1.020
284 1HD2 ASN 38 HD22 ASN 38 -5.292 -9.785 2.634
285 2HD2 ASN 38 HD21 ASN 38 -6.396 -9.533 1.322
286 H ASN 39 HN ASN 39 -2.670 -9.009 -3.354
287 HA ASN 39 HA ASN 39 -4.115 -10.477 -5.449
288 1HB ASN 39 HB2 ASN 39 -2.954 -7.630 -5.734
289 2HB ASN 39 HB3 ASN 39 -3.404 -8.696 -7.114
290 1HD2 ASN 39 HD21 ASN 39 -6.989 -8.493 -6.529
291 2HD2 ASN 39 HD22 ASN 39 -5.745 -9.598 -7.014
292 1H NH2 40 HT1 ASN 39 -2.634 -12.168 -5.371
293 2H NH2 40 HT2 ASN 39 -0.932 -11.971 -5.625
No H/Q in entry = 293
Start of MODEL 10
1 1H THR 1 HN2 THR 1 -9.794 -2.018 4.655
2 2H THR 1 HN THR 1 -9.685 -2.972 3.255
3 3H THR 1 HN3 THR 1 -10.016 -3.700 4.754
4 HA THR 1 HA THR 1 -7.900 -3.056 5.581
5 HB THR 1 HB THR 1 -6.427 -4.556 4.159
6 HG1 THR 1 HG1 THR 1 -7.488 -5.685 2.528
7 1HG2 THR 1 HG21 THR 1 -7.866 -5.373 6.030
8 2HG2 THR 1 HG22 THR 1 -9.242 -5.607 4.887
9 3HG2 THR 1 HG23 THR 1 -7.737 -6.583 4.702
10 H ILE 2 HN ILE 2 -7.719 -0.777 5.546
11 HA ILE 2 HA ILE 2 -6.149 0.389 3.360
12 HB ILE 2 HB ILE 2 -8.330 1.677 5.112
13 1HG1 ILE 2 HG12 ILE 2 -8.388 0.796 2.162
14 2HG1 ILE 2 HG13 ILE 2 -9.386 0.186 3.509
15 1HG2 ILE 2 HG22 ILE 2 -6.513 2.809 2.879
16 2HG2 ILE 2 HG23 ILE 2 -7.922 3.680 3.596
17 3HG2 ILE 2 HG21 ILE 2 -6.519 3.277 4.615
18 1HD1 ILE 2 HD12 ILE 2 -10.437 2.477 3.760
19 2HD1 ILE 2 HD13 ILE 2 -9.537 3.009 2.286
20 3HD1 ILE 2 HD11 ILE 2 -10.747 1.686 2.170
21 H ILE 3 HN ILE 3 -4.189 1.134 4.104
22 HA ILE 3 HA ILE 3 -3.744 1.386 7.019
23 HB ILE 3 HB ILE 3 -1.459 1.028 6.750
24 1HG1 ILE 3 HG12 ILE 3 -1.977 0.268 3.807
25 2HG1 ILE 3 HG13 ILE 3 -1.237 1.828 4.308
26 1HG2 ILE 3 HG21 ILE 3 -3.139 -0.782 7.244
27 2HG2 ILE 3 HG22 ILE 3 -3.161 -1.215 5.492
28 3HG2 ILE 3 HG23 ILE 3 -1.649 -1.390 6.451
29 1HD1 ILE 3 HD11 ILE 3 0.528 0.608 5.582
30 2HD1 ILE 3 HD12 ILE 3 -0.109 -0.964 4.968
31 3HD1 ILE 3 HD13 ILE 3 0.563 0.225 3.808
32 H ASN 4 HN ASN 4 -1.580 3.009 7.159
33 HA ASN 4 HA ASN 4 -2.295 5.516 5.771
34 1HB ASN 4 HB2 ASN 4 -1.737 5.192 8.793
35 2HB ASN 4 HB3 ASN 4 -1.891 6.764 7.917
36 1HD2 ASN 4 HD22 ASN 4 -5.221 4.898 9.291
37 2HD2 ASN 4 HD21 ASN 4 -3.607 4.455 9.737
38 H VAL 5 HN VAL 5 -0.554 4.806 4.362
39 HA VAL 5 HA VAL 5 2.017 5.803 5.351
40 HB VAL 5 HB VAL 5 1.519 3.309 3.637
41 1HG1 VAL 5 HG11 VAL 5 4.067 5.062 3.704
42 2HG1 VAL 5 HG12 VAL 5 4.053 3.337 3.193
43 3HG1 VAL 5 HG13 VAL 5 3.115 4.519 2.252
44 1HG2 VAL 5 HG23 VAL 5 3.261 3.896 6.119
45 2HG2 VAL 5 HG21 VAL 5 1.740 2.924 6.068
46 3HG2 VAL 5 HG22 VAL 5 3.215 2.330 5.230
47 H LYS 6 HN LYS 6 2.589 7.552 4.235
48 HA LYS 6 HA LYS 6 0.800 8.497 2.202
49 1HB LYS 6 HB2 LYS 6 3.137 9.775 3.685
50 2HB LYS 6 HB3 LYS 6 2.311 10.599 2.327
51 1HG LYS 6 HG2 LYS 6 1.467 11.464 4.397
52 2HG LYS 6 HG3 LYS 6 0.185 10.653 3.445
53 1HD LYS 6 HD2 LYS 6 -0.141 10.267 5.818
54 2HD LYS 6 HD3 LYS 6 0.204 8.717 4.992
55 1HE LYS 6 HE2 LYS 6 2.602 8.827 5.858
56 2HE LYS 6 HE3 LYS 6 2.196 10.377 6.701
57 1HZ LYS 6 HZ2 LYS 6 0.522 9.184 7.948
58 2HZ LYS 6 HZ3 LYS 6 0.909 7.734 7.152
59 3HZ LYS 6 HZ1 LYS 6 2.057 8.486 8.153
60 H CYS 7 HN CYS 7 1.366 8.949 0.023
61 HA CYS 7 HA CYS 7 3.827 7.757 -1.029
62 1HB CYS 7 HB2 CYS 7 2.697 6.047 -2.301
63 2HB CYS 7 HB3 CYS 7 2.228 5.897 -0.547
64 H THR 8 HN THR 8 3.766 7.864 -3.467
65 HA THR 8 HA THR 8 2.044 9.796 -4.686
66 HB THR 8 HB THR 8 3.798 11.249 -3.675
67 HG1 THR 8 HG1 THR 8 2.835 11.808 -5.613
68 1HG2 THR 8 HG23 THR 8 5.706 9.599 -3.691
69 2HG2 THR 8 HG21 THR 8 5.822 9.755 -5.484
70 3HG2 THR 8 HG22 THR 8 6.134 11.178 -4.433
71 H SER 9 HN SER 9 2.721 6.861 -4.600
72 HA SER 9 HA SER 9 2.823 6.281 -7.318
73 1HB SER 9 HB2 SER 9 4.991 4.996 -7.424
74 2HB SER 9 HB3 SER 9 5.264 6.750 -7.134
75 HG SER 9 HG SER 9 5.327 4.777 -5.151
76 HA PRO 10 HA PRO 10 1.194 2.673 -5.026
77 1HB PRO 10 HB2 PRO 10 1.668 1.161 -7.645
78 2HB PRO 10 HB3 PRO 10 0.223 1.187 -6.563
79 1HG PRO 10 HG2 PRO 10 0.277 2.640 -8.888
80 2HG PRO 10 HG3 PRO 10 -0.401 3.386 -7.378
81 1HD PRO 10 HD2 PRO 10 2.436 3.714 -8.535
82 2HD PRO 10 HD3 PRO 10 1.262 4.995 -7.977
83 H LYS 11 HN LYS 11 4.373 2.582 -6.628
84 HA LYS 11 HA LYS 11 5.350 0.263 -5.306
85 1HB LYS 11 HB2 LYS 11 6.871 2.497 -6.738
86 2HB LYS 11 HB3 LYS 11 7.535 0.886 -6.272
87 1HG LYS 11 HG2 LYS 11 5.274 1.425 -8.290
88 2HG LYS 11 HG3 LYS 11 6.974 0.993 -8.661
89 1HD LYS 11 HD2 LYS 11 6.691 -1.212 -7.529
90 2HD LYS 11 HD3 LYS 11 4.979 -0.824 -7.150
91 1HE LYS 11 HE2 LYS 11 6.152 -1.047 -10.005
92 2HE LYS 11 HE3 LYS 11 5.175 -2.312 -9.151
93 1HZ LYS 11 HZ3 LYS 11 3.356 -0.757 -9.032
94 2HZ LYS 11 HZ1 LYS 11 4.266 0.436 -9.827
95 3HZ LYS 11 HZ2 LYS 11 3.850 -0.996 -10.639
96 H GLN 12 HN GLN 12 4.847 3.507 -4.096
97 HA GLN 12 HA GLN 12 6.792 3.338 -1.985
98 1HB GLN 12 HB2 GLN 12 6.373 5.482 -3.086
99 2HB GLN 12 HB3 GLN 12 4.672 5.371 -2.794
100 1HG GLN 12 HG2 GLN 12 5.875 6.994 -1.290
101 2HG GLN 12 HG3 GLN 12 5.123 5.701 -0.298
102 1HE2 GLN 12 HE22 GLN 12 9.293 5.672 -0.889
103 2HE2 GLN 12 HE21 GLN 12 8.244 6.250 -2.142
104 H CYS 13 HN CYS 13 3.721 2.062 -2.736
105 HA CYS 13 HA CYS 13 2.842 1.814 0.048
106 1HB CYS 13 HB2 CYS 13 1.272 3.001 -1.498
107 2HB CYS 13 HB3 CYS 13 1.367 1.671 -2.672
108 H SER 14 HN SER 14 4.334 0.117 -2.681
109 HA SER 14 HA SER 14 3.541 -2.536 -1.844
110 1HB SER 14 HB2 SER 14 5.617 -1.541 -3.900
111 2HB SER 14 HB3 SER 14 5.169 -3.269 -3.635
112 HG SER 14 HG SER 14 4.082 -2.319 -5.341
113 H LYS 15 HN LYS 15 5.595 -0.211 -0.535
114 HA LYS 15 HA LYS 15 7.692 -1.855 0.444
115 1HB LYS 15 HB2 LYS 15 6.742 1.027 0.654
116 2HB LYS 15 HB3 LYS 15 7.935 0.406 1.826
117 1HG LYS 15 HG2 LYS 15 9.443 -0.185 -0.118
118 2HG LYS 15 HG3 LYS 15 8.180 0.447 -1.239
119 1HD LYS 15 HD2 LYS 15 8.365 2.711 -0.152
120 2HD LYS 15 HD3 LYS 15 9.631 2.066 0.947
121 1HE LYS 15 HE2 LYS 15 10.706 3.337 -0.868
122 2HE LYS 15 HE3 LYS 15 11.103 1.583 -1.074
123 1HZ LYS 15 HZ2 LYS 15 8.993 3.100 -2.524
124 2HZ LYS 15 HZ3 LYS 15 10.506 2.630 -3.136
125 3HZ LYS 15 HZ1 LYS 15 9.353 1.452 -2.723
126 HA PRO 16 HA PRO 16 5.134 -1.748 4.514
127 1HB PRO 16 HB2 PRO 16 2.610 -0.612 4.608
128 2HB PRO 16 HB3 PRO 16 4.154 0.282 4.920
129 1HG PRO 16 HG2 PRO 16 2.578 -0.091 2.364
130 2HG PRO 16 HG3 PRO 16 3.039 1.501 3.080
131 1HD PRO 16 HD2 PRO 16 4.588 0.439 1.130
132 2HD PRO 16 HD3 PRO 16 5.417 1.088 2.573
133 H CYS 17 HN CYS 17 2.851 -2.092 1.662
134 HA CYS 17 HA CYS 17 1.309 -4.076 2.738
135 1HB CYS 17 HB2 CYS 17 1.725 -3.480 -0.244
136 2HB CYS 17 HB3 CYS 17 0.380 -4.443 0.465
137 H LYS 18 HN LYS 18 4.372 -4.403 0.756
138 HA LYS 18 HA LYS 18 4.060 -7.303 0.608
139 1HB LYS 18 HB2 LYS 18 6.282 -5.502 -0.427
140 2HB LYS 18 HB3 LYS 18 6.172 -7.287 -0.649
141 1HG LYS 18 HG2 LYS 18 3.934 -6.967 -1.777
142 2HG LYS 18 HG3 LYS 18 4.151 -5.194 -1.599
143 1HD LYS 18 HD2 LYS 18 4.782 -5.688 -3.851
144 2HD LYS 18 HD3 LYS 18 6.303 -5.375 -2.953
145 1HE LYS 18 HE2 LYS 18 6.616 -7.288 -4.483
146 2HE LYS 18 HE3 LYS 18 6.660 -7.913 -2.786
147 1HZ LYS 18 HZ3 LYS 18 4.325 -7.971 -4.629
148 2HZ LYS 18 HZ1 LYS 18 5.331 -9.278 -4.226
149 3HZ LYS 18 HZ2 LYS 18 4.355 -8.560 -3.036
150 H GLU 19 HN GLU 19 5.250 -5.016 2.873
151 HA GLU 19 HA GLU 19 6.915 -6.945 4.292
152 1HB GLU 19 HB2 GLU 19 7.433 -4.515 4.227
153 2HB GLU 19 HB3 GLU 19 5.952 -4.174 5.166
154 1HG GLU 19 HG2 GLU 19 6.896 -5.505 7.105
155 2HG GLU 19 HG3 GLU 19 8.338 -5.915 6.100
156 H LEU 20 HN LEU 20 3.544 -5.992 4.132
157 HA LEU 20 HA LEU 20 2.755 -7.163 6.678
158 1HB LEU 20 HB2 LEU 20 1.326 -5.625 4.444
159 2HB LEU 20 HB3 LEU 20 0.385 -6.419 5.786
160 HG LEU 20 HG LEU 20 2.375 -4.141 6.049
161 1HD1 LEU 20 HD12 LEU 20 0.216 -3.515 5.037
162 2HD1 LEU 20 HD13 LEU 20 -0.670 -4.247 6.427
163 3HD1 LEU 20 HD11 LEU 20 0.392 -2.811 6.688
164 1HD2 LEU 20 HD21 LEU 20 0.759 -5.579 8.252
165 2HD2 LEU 20 HD22 LEU 20 2.558 -5.544 8.095
166 3HD2 LEU 20 HD23 LEU 20 1.661 -4.030 8.458
167 H TYR 21 HN TYR 21 1.630 -7.457 3.268
168 HA TYR 21 HA TYR 21 0.342 -9.978 3.790
169 1HB TYR 21 HB2 TYR 21 0.185 -7.995 1.451
170 2HB TYR 21 HB3 TYR 21 -0.713 -9.559 1.503
171 HD1 TYR 21 HD2 TYR 21 -0.371 -6.228 3.259
172 HD2 TYR 21 HD1 TYR 21 -2.591 -9.887 2.830
173 HE1 TYR 21 HE2 TYR 21 -2.187 -5.290 4.622
174 HE2 TYR 21 HE1 TYR 21 -4.440 -8.922 4.150
175 HH TYR 21 HH TYR 21 -4.236 -5.589 5.488
176 H GLY 22 HN GLY 22 3.293 -8.838 2.279
177 1HA GLY 22 HA1 GLY 22 5.041 -10.193 2.097
178 2HA GLY 22 HA2 GLY 22 4.009 -11.630 1.844
179 H SER 23 HN SER 23 2.739 -11.579 -0.245
180 HA SER 23 HA SER 23 4.196 -10.552 -2.545
181 1HB SER 23 HB2 SER 23 3.805 -13.572 -2.009
182 2HB SER 23 HB3 SER 23 4.337 -12.861 -3.584
183 HG SER 23 HG SER 23 6.033 -13.597 -2.324
184 H SER 24 HN SER 24 1.402 -11.371 -0.808
185 HA SER 24 HA SER 24 -0.339 -11.359 -3.188
186 1HB SER 24 HB2 SER 24 -0.447 -13.421 -1.711
187 2HB SER 24 HB3 SER 24 -0.965 -12.387 -0.341
188 HG SER 24 HG SER 24 -2.257 -12.689 -2.865
189 H ALA 25 HN ALA 25 0.563 -8.992 -2.961
190 HA ALA 25 HA ALA 25 -1.111 -7.386 -1.132
191 1HB ALA 25 HB1 ALA 25 1.717 -6.852 -2.246
192 2HB ALA 25 HB2 ALA 25 0.746 -5.659 -1.319
193 3HB ALA 25 HB3 ALA 25 1.276 -7.194 -0.536
194 H GLY 26 HN GLY 26 -2.665 -6.275 -2.203
195 1HA GLY 26 HA1 GLY 26 -2.199 -5.389 -4.977
196 2HA GLY 26 HA2 GLY 26 -3.759 -5.556 -4.076
197 H ALA 27 HN ALA 27 -0.713 -3.745 -4.353
198 HA ALA 27 HA ALA 27 -1.423 -1.935 -2.210
199 1HB ALA 27 HB2 ALA 27 1.123 -2.256 -3.919
200 2HB ALA 27 HB3 ALA 27 0.938 -1.141 -2.509
201 3HB ALA 27 HB1 ALA 27 0.848 -2.919 -2.277
202 H LYS 28 HN LYS 28 -2.636 -0.159 -2.678
203 HA LYS 28 HA LYS 28 -2.441 1.090 -5.348
204 1HB LYS 28 HB2 LYS 28 -4.807 0.882 -3.386
205 2HB LYS 28 HB3 LYS 28 -4.860 1.696 -5.017
206 1HG LYS 28 HG2 LYS 28 -4.440 -1.274 -4.397
207 2HG LYS 28 HG3 LYS 28 -5.963 -0.493 -4.949
208 1HD LYS 28 HD2 LYS 28 -4.899 0.120 -7.115
209 2HD LYS 28 HD3 LYS 28 -3.349 -0.627 -6.584
210 1HE LYS 28 HE2 LYS 28 -4.467 -2.872 -6.414
211 2HE LYS 28 HE3 LYS 28 -6.024 -2.134 -6.975
212 1HZ LYS 28 HZ1 LYS 28 -3.465 -2.202 -8.489
213 2HZ LYS 28 HZ2 LYS 28 -4.825 -3.186 -8.753
214 3HZ LYS 28 HZ3 LYS 28 -4.924 -1.510 -9.018
215 H CYS 29 HN CYS 29 -2.509 3.265 -5.401
216 HA CYS 29 HA CYS 29 -2.172 4.764 -2.871
217 1HB CYS 29 HB2 CYS 29 0.096 4.347 -3.842
218 2HB CYS 29 HB3 CYS 29 -0.424 5.047 -5.396
219 H MET 30 HN MET 30 -3.878 6.090 -2.805
220 HA MET 30 HA MET 30 -4.772 7.495 -5.232
221 1HB MET 30 HB2 MET 30 -6.504 6.405 -2.934
222 2HB MET 30 HB3 MET 30 -7.112 7.493 -4.223
223 1HG MET 30 HG2 MET 30 -6.006 4.659 -4.600
224 2HG MET 30 HG3 MET 30 -7.722 5.151 -4.615
225 1HE MET 30 HE3 MET 30 -7.763 3.636 -6.750
226 2HE MET 30 HE1 MET 30 -6.776 3.906 -8.227
227 3HE MET 30 HE2 MET 30 -5.980 3.411 -6.694
228 H ASN 31 HN ASN 31 -4.382 9.792 -4.844
229 HA ASN 31 HA ASN 31 -4.380 11.709 -3.904
230 1HB ASN 31 HB2 ASN 31 -6.310 11.014 -2.450
231 2HB ASN 31 HB3 ASN 31 -5.158 10.574 -1.157
232 1HD2 ASN 31 HD22 ASN 31 -5.758 14.601 -2.211
233 2HD2 ASN 31 HD21 ASN 31 -6.006 13.346 -3.379
234 H GLY 32 HN GLY 32 -3.271 10.046 -0.987
235 1HA GLY 32 HA1 GLY 32 -0.651 9.651 -1.689
236 2HA GLY 32 HA2 GLY 32 -0.776 11.202 -0.733
237 H LYS 33 HN LYS 33 -2.422 7.966 -0.755
238 HA LYS 33 HA LYS 33 -1.353 7.250 1.800
239 1HB LYS 33 HB2 LYS 33 -4.324 7.953 1.630
240 2HB LYS 33 HB3 LYS 33 -3.751 6.633 2.710
241 1HG LYS 33 HG2 LYS 33 -2.052 8.237 3.701
242 2HG LYS 33 HG3 LYS 33 -2.952 9.570 2.901
243 1HD LYS 33 HD2 LYS 33 -5.013 8.981 4.142
244 2HD LYS 33 HD3 LYS 33 -4.221 7.514 4.814
245 1HE LYS 33 HE2 LYS 33 -4.286 9.327 6.521
246 2HE LYS 33 HE3 LYS 33 -2.578 8.930 6.069
247 1HZ LYS 33 HZ1 LYS 33 -2.582 10.836 4.608
248 2HZ LYS 33 HZ2 LYS 33 -4.183 11.210 5.034
249 3HZ LYS 33 HZ3 LYS 33 -2.955 11.282 6.205
250 H CYS 34 HN CYS 34 -1.762 5.067 2.254
251 HA CYS 34 HA CYS 34 -1.696 3.517 -0.212
252 1HB CYS 34 HB2 CYS 34 0.379 3.792 1.075
253 2HB CYS 34 HB3 CYS 34 -0.426 3.263 2.574
254 H LYS 35 HN LYS 35 -2.832 1.661 -0.464
255 HA LYS 35 HA LYS 35 -4.524 0.614 1.732
256 1HB LYS 35 HB2 LYS 35 -5.007 0.930 -1.284
257 2HB LYS 35 HB3 LYS 35 -5.970 -0.205 -0.273
258 1HG LYS 35 HG2 LYS 35 -6.809 1.560 1.109
259 2HG LYS 35 HG3 LYS 35 -5.751 2.793 0.373
260 1HD LYS 35 HD2 LYS 35 -7.966 1.244 -1.109
261 2HD LYS 35 HD3 LYS 35 -8.146 2.896 -0.405
262 1HE LYS 35 HE2 LYS 35 -6.396 2.013 -2.780
263 2HE LYS 35 HE3 LYS 35 -7.759 3.193 -2.783
264 1HZ LYS 35 HZ2 LYS 35 -5.140 3.531 -1.408
265 2HZ LYS 35 HZ3 LYS 35 -5.629 4.274 -2.856
266 3HZ LYS 35 HZ1 LYS 35 -6.421 4.646 -1.400
267 H CYS 36 HN CYS 36 -4.282 -1.574 2.087
268 HA CYS 36 HA CYS 36 -2.529 -3.110 0.251
269 1HB CYS 36 HB2 CYS 36 -2.764 -3.467 3.299
270 2HB CYS 36 HB3 CYS 36 -1.719 -4.419 2.092
271 H TYR 37 HN TYR 37 -3.841 -4.391 -0.896
272 HA TYR 37 HA TYR 37 -6.131 -5.703 0.364
273 1HB TYR 37 HB2 TYR 37 -5.366 -4.942 -2.535
274 2HB TYR 37 HB3 TYR 37 -6.750 -5.995 -2.134
275 HD1 TYR 37 HD1 TYR 37 -8.366 -5.058 -0.261
276 HD2 TYR 37 HD2 TYR 37 -5.794 -2.538 -2.645
277 HE1 TYR 37 HE1 TYR 37 -9.826 -3.122 0.182
278 HE2 TYR 37 HE2 TYR 37 -7.306 -0.665 -2.305
279 HH TYR 37 HH TYR 37 -9.203 0.082 -1.278
280 H ASN 38 HN ASN 38 -6.422 -7.853 -1.238
281 HA ASN 38 HA ASN 38 -3.973 -9.473 -0.835
282 1HB ASN 38 HB2 ASN 38 -6.953 -10.215 -0.501
283 2HB ASN 38 HB3 ASN 38 -5.612 -11.419 -0.536
284 1HD2 ASN 38 HD21 ASN 38 -4.685 -10.979 2.826
285 2HD2 ASN 38 HD22 ASN 38 -4.480 -11.829 1.331
286 H ASN 39 HN ASN 39 -3.279 -8.961 -3.029
287 HA ASN 39 HA ASN 39 -4.771 -10.456 -5.093
288 1HB ASN 39 HB2 ASN 39 -3.473 -7.680 -5.432
289 2HB ASN 39 HB3 ASN 39 -4.030 -8.734 -6.781
290 1HD2 ASN 39 HD21 ASN 39 -7.575 -8.309 -6.079
291 2HD2 ASN 39 HD22 ASN 39 -6.417 -9.491 -6.593
292 1H NH2 40 HT1 ASN 39 -3.366 -12.215 -4.964
293 2H NH2 40 HT2 ASN 39 -1.665 -12.102 -5.267
No H/Q in entry = 293
Start of MODEL 11
1 1H THR 1 HN3 THR 1 -7.448 -2.692 6.511
2 2H THR 1 HN2 THR 1 -8.865 -2.259 5.681
3 3H THR 1 HN THR 1 -8.532 -3.896 5.993
4 HA THR 1 HA THR 1 -6.620 -3.816 4.629
5 HB THR 1 HB THR 1 -7.712 -3.598 2.363
6 HG1 THR 1 HG1 THR 1 -9.916 -3.186 2.369
7 1HG2 THR 1 HG23 THR 1 -7.810 -5.670 3.759
8 2HG2 THR 1 HG21 THR 1 -9.328 -5.086 4.538
9 3HG2 THR 1 HG22 THR 1 -9.298 -5.443 2.771
10 H ILE 2 HN ILE 2 -7.881 -0.589 5.254
11 HA ILE 2 HA ILE 2 -6.043 0.657 3.339
12 HB ILE 2 HB ILE 2 -8.461 1.742 4.860
13 1HG1 ILE 2 HG12 ILE 2 -8.078 0.838 1.936
14 2HG1 ILE 2 HG13 ILE 2 -9.109 0.067 3.173
15 1HG2 ILE 2 HG23 ILE 2 -6.561 3.033 2.780
16 2HG2 ILE 2 HG21 ILE 2 -8.131 3.741 3.311
17 3HG2 ILE 2 HG22 ILE 2 -6.806 3.549 4.483
18 1HD1 ILE 2 HD11 ILE 2 -10.522 2.162 3.299
19 2HD1 ILE 2 HD12 ILE 2 -9.562 2.849 1.930
20 3HD1 ILE 2 HD13 ILE 2 -10.531 1.356 1.686
21 H ILE 3 HN ILE 3 -4.139 1.207 4.126
22 HA ILE 3 HA ILE 3 -3.731 1.644 7.008
23 HB ILE 3 HB ILE 3 -1.457 1.191 6.738
24 1HG1 ILE 3 HG12 ILE 3 -2.033 0.419 3.805
25 2HG1 ILE 3 HG13 ILE 3 -1.211 1.944 4.288
26 1HG2 ILE 3 HG21 ILE 3 -3.217 -0.546 7.258
27 2HG2 ILE 3 HG22 ILE 3 -3.257 -1.001 5.512
28 3HG2 ILE 3 HG23 ILE 3 -1.755 -1.227 6.471
29 1HD1 ILE 3 HD11 ILE 3 0.501 0.645 5.553
30 2HD1 ILE 3 HD12 ILE 3 -0.223 -0.896 4.961
31 3HD1 ILE 3 HD13 ILE 3 0.498 0.246 3.783
32 H ASN 4 HN ASN 4 -1.587 3.204 7.222
33 HA ASN 4 HA ASN 4 -2.211 5.733 5.816
34 1HB ASN 4 HB2 ASN 4 -1.637 5.352 8.827
35 2HB ASN 4 HB3 ASN 4 -1.773 6.938 7.975
36 1HD2 ASN 4 HD22 ASN 4 -5.124 5.066 9.312
37 2HD2 ASN 4 HD21 ASN 4 -3.516 4.572 9.726
38 H VAL 5 HN VAL 5 -0.483 4.885 4.398
39 HA VAL 5 HA VAL 5 2.121 5.846 5.354
40 HB VAL 5 HB VAL 5 1.536 3.357 3.665
41 1HG1 VAL 5 HG11 VAL 5 4.126 5.046 3.722
42 2HG1 VAL 5 HG12 VAL 5 4.088 3.310 3.258
43 3HG1 VAL 5 HG13 VAL 5 3.179 4.481 2.276
44 1HG2 VAL 5 HG21 VAL 5 3.277 3.915 6.154
45 2HG2 VAL 5 HG22 VAL 5 1.725 2.993 6.102
46 3HG2 VAL 5 HG23 VAL 5 3.185 2.343 5.283
47 H LYS 6 HN LYS 6 2.738 7.562 4.225
48 HA LYS 6 HA LYS 6 0.948 8.591 2.264
49 1HB LYS 6 HB2 LYS 6 3.563 9.818 3.311
50 2HB LYS 6 HB3 LYS 6 2.233 10.673 2.449
51 1HG LYS 6 HG2 LYS 6 2.068 9.349 5.229
52 2HG LYS 6 HG3 LYS 6 2.271 11.098 4.902
53 1HD LYS 6 HD2 LYS 6 0.068 11.246 3.844
54 2HD LYS 6 HD3 LYS 6 -0.173 9.472 3.966
55 1HE LYS 6 HE2 LYS 6 0.126 11.346 6.408
56 2HE LYS 6 HE3 LYS 6 -1.443 10.749 5.726
57 1HZ LYS 6 HZ1 LYS 6 -0.724 8.504 6.151
58 2HZ LYS 6 HZ2 LYS 6 0.752 9.051 6.788
59 3HZ LYS 6 HZ3 LYS 6 -0.706 9.432 7.573
60 H CYS 7 HN CYS 7 1.344 8.822 0.005
61 HA CYS 7 HA CYS 7 3.831 7.711 -1.100
62 1HB CYS 7 HB2 CYS 7 2.710 6.010 -2.356
63 2HB CYS 7 HB3 CYS 7 2.259 5.852 -0.598
64 H THR 8 HN THR 8 3.749 7.885 -3.547
65 HA THR 8 HA THR 8 1.847 9.640 -4.715
66 HB THR 8 HB THR 8 3.414 11.325 -3.790
67 HG1 THR 8 HG1 THR 8 2.344 11.699 -5.714
68 1HG2 THR 8 HG23 THR 8 5.524 9.978 -3.794
69 2HG2 THR 8 HG21 THR 8 5.578 10.040 -5.595
70 3HG2 THR 8 HG22 THR 8 5.720 11.551 -4.634
71 H SER 9 HN SER 9 2.674 6.838 -4.639
72 HA SER 9 HA SER 9 2.795 6.237 -7.348
73 1HB SER 9 HB2 SER 9 4.991 5.030 -7.476
74 2HB SER 9 HB3 SER 9 5.227 6.784 -7.151
75 HG SER 9 HG SER 9 5.340 4.776 -5.210
76 HA PRO 10 HA PRO 10 1.248 2.638 -4.992
77 1HB PRO 10 HB2 PRO 10 1.658 1.099 -7.601
78 2HB PRO 10 HB3 PRO 10 0.245 1.139 -6.480
79 1HG PRO 10 HG2 PRO 10 0.234 2.565 -8.824
80 2HG PRO 10 HG3 PRO 10 -0.407 3.324 -7.306
81 1HD PRO 10 HD2 PRO 10 2.397 3.650 -8.538
82 2HD PRO 10 HD3 PRO 10 1.232 4.932 -7.963
83 H LYS 11 HN LYS 11 4.411 2.559 -6.622
84 HA LYS 11 HA LYS 11 5.410 0.267 -5.283
85 1HB LYS 11 HB2 LYS 11 6.132 1.114 -7.525
86 2HB LYS 11 HB3 LYS 11 6.892 2.522 -6.741
87 1HG LYS 11 HG2 LYS 11 8.515 0.765 -7.407
88 2HG LYS 11 HG3 LYS 11 8.559 1.068 -5.644
89 1HD LYS 11 HD2 LYS 11 8.794 -1.320 -6.137
90 2HD LYS 11 HD3 LYS 11 7.292 -1.013 -5.208
91 1HE LYS 11 HE2 LYS 11 5.935 -1.227 -7.336
92 2HE LYS 11 HE3 LYS 11 7.463 -1.537 -8.259
93 1HZ LYS 11 HZ3 LYS 11 7.822 -3.474 -6.884
94 2HZ LYS 11 HZ1 LYS 11 6.390 -3.176 -6.022
95 3HZ LYS 11 HZ2 LYS 11 6.323 -3.551 -7.677
96 H GLN 12 HN GLN 12 4.829 3.507 -4.094
97 HA GLN 12 HA GLN 12 6.780 3.379 -1.967
98 1HB GLN 12 HB2 GLN 12 6.384 5.460 -3.201
99 2HB GLN 12 HB3 GLN 12 4.712 5.473 -2.768
100 1HG GLN 12 HG2 GLN 12 5.365 5.875 -0.347
101 2HG GLN 12 HG3 GLN 12 7.088 5.497 -0.745
102 1HE2 GLN 12 HE22 GLN 12 6.919 9.186 -0.556
103 2HE2 GLN 12 HE21 GLN 12 6.805 7.822 0.506
104 H CYS 13 HN CYS 13 3.877 1.934 -2.712
105 HA CYS 13 HA CYS 13 2.876 1.825 0.047
106 1HB CYS 13 HB2 CYS 13 1.349 3.051 -1.524
107 2HB CYS 13 HB3 CYS 13 1.441 1.724 -2.700
108 H SER 14 HN SER 14 4.400 0.080 -2.639
109 HA SER 14 HA SER 14 3.496 -2.543 -1.816
110 1HB SER 14 HB2 SER 14 5.629 -1.608 -3.838
111 2HB SER 14 HB3 SER 14 5.153 -3.329 -3.566
112 HG SER 14 HG SER 14 3.046 -2.734 -4.136
113 H LYS 15 HN LYS 15 5.590 -0.278 -0.476
114 HA LYS 15 HA LYS 15 7.625 -1.999 0.518
115 1HB LYS 15 HB2 LYS 15 6.832 0.925 0.604
116 2HB LYS 15 HB3 LYS 15 7.957 0.321 1.836
117 1HG LYS 15 HG2 LYS 15 8.303 0.168 -1.229
118 2HG LYS 15 HG3 LYS 15 9.048 1.397 -0.160
119 1HD LYS 15 HD2 LYS 15 9.647 -1.631 -0.161
120 2HD LYS 15 HD3 LYS 15 10.673 -0.337 -0.853
121 1HE LYS 15 HE2 LYS 15 10.007 -0.684 2.157
122 2HE LYS 15 HE3 LYS 15 11.561 -1.107 1.340
123 1HZ LYS 15 HZ1 LYS 15 11.836 1.203 0.763
124 2HZ LYS 15 HZ2 LYS 15 10.371 1.609 1.520
125 3HZ LYS 15 HZ3 LYS 15 11.664 1.006 2.442
126 HA PRO 16 HA PRO 16 5.070 -1.710 4.570
127 1HB PRO 16 HB2 PRO 16 2.557 -0.528 4.606
128 2HB PRO 16 HB3 PRO 16 4.110 0.350 4.915
129 1HG PRO 16 HG2 PRO 16 2.571 -0.076 2.342
130 2HG PRO 16 HG3 PRO 16 3.019 1.531 3.030
131 1HD PRO 16 HD2 PRO 16 4.621 0.447 1.145
132 2HD PRO 16 HD3 PRO 16 5.401 1.092 2.627
133 H CYS 17 HN CYS 17 2.831 -2.094 1.692
134 HA CYS 17 HA CYS 17 1.239 -4.033 2.802
135 1HB CYS 17 HB2 CYS 17 1.689 -3.483 -0.185
136 2HB CYS 17 HB3 CYS 17 0.327 -4.417 0.529
137 H LYS 18 HN LYS 18 4.331 -4.408 0.904
138 HA LYS 18 HA LYS 18 4.028 -7.305 0.827
139 1HB LYS 18 HB2 LYS 18 6.240 -5.518 -0.239
140 2HB LYS 18 HB3 LYS 18 6.199 -7.317 -0.364
141 1HG LYS 18 HG2 LYS 18 3.967 -7.170 -1.480
142 2HG LYS 18 HG3 LYS 18 4.109 -5.375 -1.471
143 1HD LYS 18 HD2 LYS 18 6.195 -5.549 -2.866
144 2HD LYS 18 HD3 LYS 18 6.031 -7.338 -2.894
145 1HE LYS 18 HE2 LYS 18 3.972 -5.326 -4.053
146 2HE LYS 18 HE3 LYS 18 5.180 -6.274 -5.013
147 1HZ LYS 18 HZ2 LYS 18 4.129 -8.290 -4.236
148 2HZ LYS 18 HZ3 LYS 18 2.994 -7.398 -3.341
149 3HZ LYS 18 HZ1 LYS 18 3.020 -7.281 -5.036
150 H GLU 19 HN GLU 19 5.143 -4.978 3.054
151 HA GLU 19 HA GLU 19 6.748 -6.878 4.582
152 1HB GLU 19 HB2 GLU 19 7.252 -4.436 4.469
153 2HB GLU 19 HB3 GLU 19 5.767 -4.099 5.405
154 1HG GLU 19 HG2 GLU 19 6.709 -5.445 7.338
155 2HG GLU 19 HG3 GLU 19 8.180 -5.799 6.356
156 H LEU 20 HN LEU 20 3.395 -5.984 4.231
157 HA LEU 20 HA LEU 20 2.499 -7.096 6.778
158 1HB LEU 20 HB2 LEU 20 1.168 -5.566 4.480
159 2HB LEU 20 HB3 LEU 20 0.176 -6.336 5.797
160 HG LEU 20 HG LEU 20 2.175 -4.070 6.094
161 1HD1 LEU 20 HD12 LEU 20 0.044 -3.443 5.028
162 2HD1 LEU 20 HD13 LEU 20 -0.879 -4.159 6.403
163 3HD1 LEU 20 HD11 LEU 20 0.184 -2.726 6.676
164 1HD2 LEU 20 HD21 LEU 20 0.503 -5.478 8.275
165 2HD2 LEU 20 HD22 LEU 20 2.305 -5.450 8.159
166 3HD2 LEU 20 HD23 LEU 20 1.403 -3.931 8.486
167 H TYR 21 HN TYR 21 1.466 -7.412 3.338
168 HA TYR 21 HA TYR 21 0.172 -9.934 3.846
169 1HB TYR 21 HB2 TYR 21 0.089 -7.959 1.489
170 2HB TYR 21 HB3 TYR 21 -0.816 -9.514 1.504
171 HD1 TYR 21 HD1 TYR 21 -0.504 -6.196 3.285
172 HD2 TYR 21 HD2 TYR 21 -2.788 -9.801 2.733
173 HE1 TYR 21 HE1 TYR 21 -2.366 -5.213 4.554
174 HE2 TYR 21 HE2 TYR 21 -4.685 -8.784 3.932
175 HH TYR 21 HH TYR 21 -5.462 -6.972 5.024
176 H GLY 22 HN GLY 22 3.221 -8.881 2.543
177 1HA GLY 22 HA1 GLY 22 4.898 -10.334 2.527
178 2HA GLY 22 HA2 GLY 22 3.831 -11.698 2.080
179 H SER 23 HN SER 23 2.868 -11.521 -0.184
180 HA SER 23 HA SER 23 4.776 -10.529 -2.174
181 1HB SER 23 HB2 SER 23 4.730 -12.872 -3.251
182 2HB SER 23 HB3 SER 23 5.692 -12.726 -1.740
183 HG SER 23 HG SER 23 4.409 -14.566 -1.786
184 H SER 24 HN SER 24 1.746 -11.945 -1.172
185 HA SER 24 HA SER 24 0.283 -11.229 -3.586
186 1HB SER 24 HB2 SER 24 -0.034 -13.447 -2.453
187 2HB SER 24 HB3 SER 24 -0.681 -12.613 -1.006
188 HG SER 24 HG SER 24 -2.296 -11.751 -2.421
189 H ALA 25 HN ALA 25 0.727 -8.821 -3.273
190 HA ALA 25 HA ALA 25 -1.025 -7.552 -1.280
191 1HB ALA 25 HB3 ALA 25 1.844 -6.728 -2.106
192 2HB ALA 25 HB1 ALA 25 0.745 -5.742 -1.093
193 3HB ALA 25 HB2 ALA 25 1.341 -7.328 -0.493
194 H GLY 26 HN GLY 26 -2.577 -6.481 -2.396
195 1HA GLY 26 HA1 GLY 26 -2.052 -5.429 -5.089
196 2HA GLY 26 HA2 GLY 26 -3.613 -5.657 -4.211
197 H ALA 27 HN ALA 27 -0.625 -3.725 -4.407
198 HA ALA 27 HA ALA 27 -1.432 -1.940 -2.282
199 1HB ALA 27 HB3 ALA 27 1.124 -2.138 -3.984
200 2HB ALA 27 HB1 ALA 27 0.882 -1.021 -2.585
201 3HB ALA 27 HB2 ALA 27 0.880 -2.798 -2.333
202 H LYS 28 HN LYS 28 -2.599 -0.089 -2.695
203 HA LYS 28 HA LYS 28 -2.514 1.097 -5.400
204 1HB LYS 28 HB2 LYS 28 -4.883 0.913 -3.441
205 2HB LYS 28 HB3 LYS 28 -4.942 1.567 -5.123
206 1HG LYS 28 HG2 LYS 28 -4.233 -0.798 -5.889
207 2HG LYS 28 HG3 LYS 28 -4.568 -1.321 -4.195
208 1HD LYS 28 HD2 LYS 28 -6.922 -0.438 -4.424
209 2HD LYS 28 HD3 LYS 28 -6.585 -0.004 -6.132
210 1HE LYS 28 HE2 LYS 28 -6.476 -2.872 -4.950
211 2HE LYS 28 HE3 LYS 28 -7.823 -2.185 -5.943
212 1HZ LYS 28 HZ1 LYS 28 -6.271 -1.902 -7.752
213 2HZ LYS 28 HZ2 LYS 28 -5.005 -2.542 -6.820
214 3HZ LYS 28 HZ3 LYS 28 -6.330 -3.521 -7.240
215 H CYS 29 HN CYS 29 -2.441 3.303 -5.439
216 HA CYS 29 HA CYS 29 -2.114 4.748 -2.874
217 1HB CYS 29 HB2 CYS 29 0.094 4.376 -3.982
218 2HB CYS 29 HB3 CYS 29 -0.509 5.138 -5.474
219 H MET 30 HN MET 30 -3.916 5.915 -2.677
220 HA MET 30 HA MET 30 -5.009 7.392 -4.984
221 1HB MET 30 HB2 MET 30 -6.415 6.238 -2.518
222 2HB MET 30 HB3 MET 30 -7.155 7.480 -3.582
223 1HG MET 30 HG2 MET 30 -6.720 5.888 -5.554
224 2HG MET 30 HG3 MET 30 -6.303 4.640 -4.344
225 1HE MET 30 HE2 MET 30 -8.961 6.803 -6.123
226 2HE MET 30 HE3 MET 30 -10.477 6.575 -5.188
227 3HE MET 30 HE1 MET 30 -9.139 7.550 -4.497
228 H ASN 31 HN ASN 31 -4.463 9.666 -4.715
229 HA ASN 31 HA ASN 31 -4.347 11.632 -3.869
230 1HB ASN 31 HB2 ASN 31 -5.122 10.607 -1.081
231 2HB ASN 31 HB3 ASN 31 -4.976 12.326 -1.591
232 1HD2 ASN 31 HD22 ASN 31 -8.458 10.364 -2.216
233 2HD2 ASN 31 HD21 ASN 31 -7.187 9.801 -1.182
234 H GLY 32 HN GLY 32 -3.219 10.124 -0.878
235 1HA GLY 32 HA1 GLY 32 -0.603 9.697 -1.649
236 2HA GLY 32 HA2 GLY 32 -0.727 11.249 -0.695
237 H LYS 33 HN LYS 33 -2.342 8.008 -0.696
238 HA LYS 33 HA LYS 33 -1.281 7.281 1.852
239 1HB LYS 33 HB2 LYS 33 -4.259 7.967 1.665
240 2HB LYS 33 HB3 LYS 33 -3.665 6.677 2.773
241 1HG LYS 33 HG2 LYS 33 -1.987 8.336 3.713
242 2HG LYS 33 HG3 LYS 33 -2.911 9.635 2.895
243 1HD LYS 33 HD2 LYS 33 -4.033 7.626 4.952
244 2HD LYS 33 HD3 LYS 33 -3.563 9.322 5.302
245 1HE LYS 33 HE2 LYS 33 -5.860 8.445 3.408
246 2HE LYS 33 HE3 LYS 33 -6.036 9.108 5.079
247 1HZ LYS 33 HZ1 LYS 33 -5.007 11.140 4.330
248 2HZ LYS 33 HZ2 LYS 33 -4.830 10.520 2.759
249 3HZ LYS 33 HZ3 LYS 33 -6.382 10.771 3.403
250 H CYS 34 HN CYS 34 -1.718 5.080 2.279
251 HA CYS 34 HA CYS 34 -1.649 3.583 -0.222
252 1HB CYS 34 HB2 CYS 34 0.409 3.814 1.096
253 2HB CYS 34 HB3 CYS 34 -0.415 3.251 2.571
254 H LYS 35 HN LYS 35 -2.735 1.669 -0.501
255 HA LYS 35 HA LYS 35 -4.495 0.637 1.630
256 1HB LYS 35 HB2 LYS 35 -4.962 0.802 -1.416
257 2HB LYS 35 HB3 LYS 35 -5.946 -0.172 -0.267
258 1HG LYS 35 HG2 LYS 35 -6.416 1.945 1.007
259 2HG LYS 35 HG3 LYS 35 -5.692 2.897 -0.337
260 1HD LYS 35 HD2 LYS 35 -7.980 0.868 -0.630
261 2HD LYS 35 HD3 LYS 35 -8.257 2.630 -0.358
262 1HE LYS 35 HE2 LYS 35 -7.140 3.158 -2.537
263 2HE LYS 35 HE3 LYS 35 -6.811 1.398 -2.802
264 1HZ LYS 35 HZ1 LYS 35 -9.164 0.989 -2.775
265 2HZ LYS 35 HZ2 LYS 35 -9.490 2.639 -2.530
266 3HZ LYS 35 HZ3 LYS 35 -8.750 2.124 -3.969
267 H CYS 36 HN CYS 36 -4.435 -1.585 1.837
268 HA CYS 36 HA CYS 36 -2.541 -3.112 0.145
269 1HB CYS 36 HB2 CYS 36 -2.909 -3.448 3.182
270 2HB CYS 36 HB3 CYS 36 -1.800 -4.398 2.030
271 H TYR 37 HN TYR 37 -3.695 -4.553 -0.986
272 HA TYR 37 HA TYR 37 -5.971 -5.928 0.248
273 1HB TYR 37 HB2 TYR 37 -5.311 -5.071 -2.654
274 2HB TYR 37 HB3 TYR 37 -6.647 -6.173 -2.219
275 HD1 TYR 37 HD2 TYR 37 -8.303 -5.330 -0.382
276 HD2 TYR 37 HD1 TYR 37 -5.748 -2.688 -2.627
277 HE1 TYR 37 HE2 TYR 37 -9.821 -3.449 0.080
278 HE2 TYR 37 HE1 TYR 37 -7.284 -0.845 -2.253
279 HH TYR 37 HH TYR 37 -9.265 -0.188 -1.280
280 H ASN 38 HN ASN 38 -5.722 -7.737 -2.182
281 HA ASN 38 HA ASN 38 -3.184 -9.141 -1.718
282 1HB ASN 38 HB2 ASN 38 -6.017 -10.392 -1.694
283 2HB ASN 38 HB3 ASN 38 -4.510 -11.354 -1.929
284 1HD2 ASN 38 HD22 ASN 38 -3.419 -11.226 1.454
285 2HD2 ASN 38 HD21 ASN 38 -2.950 -11.494 -0.193
286 H ASN 39 HN ASN 39 -2.570 -10.365 -3.627
287 HA ASN 39 HA ASN 39 -3.674 -9.387 -6.142
288 1HB ASN 39 HB2 ASN 39 -1.354 -11.299 -5.474
289 2HB ASN 39 HB3 ASN 39 -1.879 -10.885 -7.150
290 1HD2 ASN 39 HD21 ASN 39 0.970 -8.622 -5.798
291 2HD2 ASN 39 HD22 ASN 39 0.711 -10.324 -5.609
292 1H NH2 40 HT1 ASN 39 -5.740 -12.149 -6.864
293 2H NH2 40 HT2 ASN 39 -5.360 -10.473 -7.083
No H/Q in entry = 293
Start of MODEL 12
1 1H THR 1 HN3 THR 1 -8.526 -3.671 2.499
2 2H THR 1 HN2 THR 1 -6.953 -4.263 2.744
3 3H THR 1 HN THR 1 -8.245 -4.881 3.658
4 HA THR 1 HA THR 1 -8.593 -2.784 4.668
5 HB THR 1 HB THR 1 -6.586 -2.677 6.144
6 HG1 THR 1 HG1 THR 1 -5.504 -4.539 4.298
7 1HG2 THR 1 HG22 THR 1 -8.373 -4.413 6.437
8 2HG2 THR 1 HG23 THR 1 -7.444 -5.550 5.388
9 3HG2 THR 1 HG21 THR 1 -6.750 -4.999 6.955
10 H ILE 2 HN ILE 2 -7.586 -0.642 5.323
11 HA ILE 2 HA ILE 2 -6.140 0.718 3.173
12 HB ILE 2 HB ILE 2 -8.475 1.777 4.871
13 1HG1 ILE 2 HG12 ILE 2 -8.305 1.051 1.880
14 2HG1 ILE 2 HG13 ILE 2 -9.314 0.274 3.128
15 1HG2 ILE 2 HG21 ILE 2 -6.651 3.134 2.769
16 2HG2 ILE 2 HG22 ILE 2 -8.135 3.873 3.480
17 3HG2 ILE 2 HG23 ILE 2 -6.737 3.513 4.524
18 1HD1 ILE 2 HD12 ILE 2 -10.579 2.444 3.453
19 2HD1 ILE 2 HD13 ILE 2 -9.653 3.149 2.072
20 3HD1 ILE 2 HD11 ILE 2 -10.731 1.737 1.801
21 H ILE 3 HN ILE 3 -4.172 1.221 4.019
22 HA ILE 3 HA ILE 3 -3.827 1.452 6.936
23 HB ILE 3 HB ILE 3 -1.562 0.983 6.721
24 1HG1 ILE 3 HG12 ILE 3 -1.987 0.348 3.737
25 2HG1 ILE 3 HG13 ILE 3 -1.243 1.881 4.304
26 1HG2 ILE 3 HG22 ILE 3 -3.338 -0.769 7.068
27 2HG2 ILE 3 HG23 ILE 3 -3.324 -1.112 5.296
28 3HG2 ILE 3 HG21 ILE 3 -1.853 -1.408 6.286
29 1HD1 ILE 3 HD12 ILE 3 0.463 0.619 5.601
30 2HD1 ILE 3 HD13 ILE 3 -0.181 -0.937 4.960
31 3HD1 ILE 3 HD11 ILE 3 0.544 0.251 3.826
32 H ASN 4 HN ASN 4 -1.513 2.964 7.073
33 HA ASN 4 HA ASN 4 -2.187 5.545 5.845
34 1HB ASN 4 HB2 ASN 4 -1.796 6.690 8.060
35 2HB ASN 4 HB3 ASN 4 -3.312 5.763 7.920
36 1HD2 ASN 4 HD22 ASN 4 -2.580 3.360 10.457
37 2HD2 ASN 4 HD21 ASN 4 -3.535 3.695 9.051
38 H VAL 5 HN VAL 5 -0.510 4.866 4.391
39 HA VAL 5 HA VAL 5 2.077 5.853 5.339
40 HB VAL 5 HB VAL 5 1.545 3.385 3.600
41 1HG1 VAL 5 HG12 VAL 5 4.109 5.115 3.626
42 2HG1 VAL 5 HG13 VAL 5 4.041 3.410 3.054
43 3HG1 VAL 5 HG11 VAL 5 3.098 4.645 2.192
44 1HG2 VAL 5 HG22 VAL 5 3.347 3.955 6.041
45 2HG2 VAL 5 HG23 VAL 5 1.838 2.963 6.014
46 3HG2 VAL 5 HG21 VAL 5 3.301 2.404 5.132
47 H LYS 6 HN LYS 6 2.651 7.605 4.246
48 HA LYS 6 HA LYS 6 0.833 8.656 2.315
49 1HB LYS 6 HB2 LYS 6 3.480 9.858 3.321
50 2HB LYS 6 HB3 LYS 6 2.153 10.724 2.467
51 1HG LYS 6 HG2 LYS 6 2.011 9.450 5.275
52 2HG LYS 6 HG3 LYS 6 2.225 11.188 4.891
53 1HD LYS 6 HD2 LYS 6 -0.013 11.231 3.774
54 2HD LYS 6 HD3 LYS 6 -0.251 9.496 4.195
55 1HE LYS 6 HE2 LYS 6 -0.124 10.046 6.637
56 2HE LYS 6 HE3 LYS 6 0.143 11.792 6.236
57 1HZ LYS 6 HZ1 LYS 6 -2.251 10.177 5.528
58 2HZ LYS 6 HZ2 LYS 6 -2.134 11.324 6.776
59 3HZ LYS 6 HZ3 LYS 6 -1.999 11.815 5.155
60 H CYS 7 HN CYS 7 1.213 8.887 0.042
61 HA CYS 7 HA CYS 7 3.720 7.826 -1.099
62 1HB CYS 7 HB2 CYS 7 2.660 6.045 -2.298
63 2HB CYS 7 HB3 CYS 7 2.164 5.902 -0.549
64 H THR 8 HN THR 8 3.732 7.774 -3.237
65 HA THR 8 HA THR 8 2.707 10.148 -4.589
66 HB THR 8 HB THR 8 5.561 8.966 -4.557
67 HG1 THR 8 HG1 THR 8 6.052 10.892 -3.527
68 1HG2 THR 8 HG23 THR 8 4.336 11.490 -5.850
69 2HG2 THR 8 HG21 THR 8 6.103 11.096 -5.792
70 3HG2 THR 8 HG22 THR 8 4.981 10.048 -6.737
71 H SER 9 HN SER 9 4.295 6.956 -4.739
72 HA SER 9 HA SER 9 3.045 6.311 -7.307
73 1HB SER 9 HB2 SER 9 4.996 4.791 -7.647
74 2HB SER 9 HB3 SER 9 5.503 6.491 -7.301
75 HG SER 9 HG SER 9 5.492 4.414 -5.421
76 HA PRO 10 HA PRO 10 1.303 2.729 -5.016
77 1HB PRO 10 HB2 PRO 10 1.644 1.151 -7.598
78 2HB PRO 10 HB3 PRO 10 0.213 1.333 -6.520
79 1HG PRO 10 HG2 PRO 10 0.402 2.698 -8.905
80 2HG PRO 10 HG3 PRO 10 -0.261 3.521 -7.432
81 1HD PRO 10 HD2 PRO 10 2.615 3.652 -8.528
82 2HD PRO 10 HD3 PRO 10 1.505 5.018 -8.045
83 H LYS 11 HN LYS 11 4.460 2.513 -6.664
84 HA LYS 11 HA LYS 11 5.400 0.197 -5.352
85 1HB LYS 11 HB2 LYS 11 6.217 1.071 -7.532
86 2HB LYS 11 HB3 LYS 11 6.938 2.480 -6.703
87 1HG LYS 11 HG2 LYS 11 8.612 0.765 -7.304
88 2HG LYS 11 HG3 LYS 11 8.548 0.984 -5.529
89 1HD LYS 11 HD2 LYS 11 7.167 -1.117 -5.329
90 2HD LYS 11 HD3 LYS 11 7.195 -1.292 -7.119
91 1HE LYS 11 HE2 LYS 11 8.847 -2.810 -6.082
92 2HE LYS 11 HE3 LYS 11 9.720 -1.532 -7.025
93 1HZ LYS 11 HZ3 LYS 11 9.267 -1.555 -4.084
94 2HZ LYS 11 HZ1 LYS 11 10.716 -1.924 -4.889
95 3HZ LYS 11 HZ2 LYS 11 10.081 -0.350 -4.961
96 H GLN 12 HN GLN 12 4.944 3.466 -4.151
97 HA GLN 12 HA GLN 12 6.817 3.358 -1.996
98 1HB GLN 12 HB2 GLN 12 6.358 5.480 -3.114
99 2HB GLN 12 HB3 GLN 12 4.650 5.257 -2.958
100 1HG GLN 12 HG2 GLN 12 5.622 7.004 -1.449
101 2HG GLN 12 HG3 GLN 12 4.833 5.710 -0.481
102 1HE2 GLN 12 HE22 GLN 12 7.756 5.668 1.510
103 2HE2 GLN 12 HE21 GLN 12 6.048 5.952 1.382
104 H CYS 13 HN CYS 13 3.710 2.104 -2.760
105 HA CYS 13 HA CYS 13 2.852 1.823 0.028
106 1HB CYS 13 HB2 CYS 13 1.290 3.034 -1.518
107 2HB CYS 13 HB3 CYS 13 1.369 1.703 -2.690
108 H SER 14 HN SER 14 4.334 0.101 -2.695
109 HA SER 14 HA SER 14 3.464 -2.533 -1.872
110 1HB SER 14 HB2 SER 14 5.578 -1.594 -3.911
111 2HB SER 14 HB3 SER 14 5.085 -3.312 -3.650
112 HG SER 14 HG SER 14 2.982 -2.689 -4.200
113 H LYS 15 HN LYS 15 5.602 -0.266 -0.589
114 HA LYS 15 HA LYS 15 7.632 -1.990 0.397
115 1HB LYS 15 HB2 LYS 15 6.829 0.936 0.533
116 2HB LYS 15 HB3 LYS 15 8.021 0.306 1.696
117 1HG LYS 15 HG2 LYS 15 8.228 0.182 -1.385
118 2HG LYS 15 HG3 LYS 15 8.984 1.432 -0.342
119 1HD LYS 15 HD2 LYS 15 10.357 -0.335 0.787
120 2HD LYS 15 HD3 LYS 15 9.643 -1.579 -0.305
121 1HE LYS 15 HE2 LYS 15 10.586 -0.369 -2.306
122 2HE LYS 15 HE3 LYS 15 11.329 0.859 -1.203
123 1HZ LYS 15 HZ2 LYS 15 11.896 -2.060 -1.218
124 2HZ LYS 15 HZ3 LYS 15 12.883 -0.832 -1.854
125 3HZ LYS 15 HZ1 LYS 15 12.595 -0.909 -0.183
126 HA PRO 16 HA PRO 16 5.125 -1.692 4.488
127 1HB PRO 16 HB2 PRO 16 2.603 -0.519 4.537
128 2HB PRO 16 HB3 PRO 16 4.156 0.358 4.845
129 1HG PRO 16 HG2 PRO 16 2.608 -0.064 2.277
130 2HG PRO 16 HG3 PRO 16 3.064 1.545 2.966
131 1HD PRO 16 HD2 PRO 16 4.659 0.464 1.071
132 2HD PRO 16 HD3 PRO 16 5.440 1.098 2.555
133 H CYS 17 HN CYS 17 2.848 -2.104 1.639
134 HA CYS 17 HA CYS 17 1.283 -4.044 2.780
135 1HB CYS 17 HB2 CYS 17 1.691 -3.502 -0.214
136 2HB CYS 17 HB3 CYS 17 0.343 -4.441 0.519
137 H LYS 18 HN LYS 18 4.346 -4.409 0.839
138 HA LYS 18 HA LYS 18 4.065 -7.312 0.778
139 1HB LYS 18 HB2 LYS 18 6.219 -5.496 -0.354
140 2HB LYS 18 HB3 LYS 18 6.227 -7.294 -0.452
141 1HG LYS 18 HG2 LYS 18 3.967 -7.247 -1.500
142 2HG LYS 18 HG3 LYS 18 4.030 -5.447 -1.519
143 1HD LYS 18 HD2 LYS 18 5.951 -5.495 -3.081
144 2HD LYS 18 HD3 LYS 18 6.090 -7.280 -2.910
145 1HE LYS 18 HE2 LYS 18 4.986 -6.673 -5.071
146 2HE LYS 18 HE3 LYS 18 3.867 -7.608 -3.998
147 1HZ LYS 18 HZ3 LYS 18 3.894 -4.656 -4.349
148 2HZ LYS 18 HZ1 LYS 18 2.787 -5.749 -5.035
149 3HZ LYS 18 HZ2 LYS 18 2.843 -5.540 -3.349
150 H GLU 19 HN GLU 19 5.205 -4.969 2.974
151 HA GLU 19 HA GLU 19 6.855 -6.859 4.466
152 1HB GLU 19 HB2 GLU 19 7.349 -4.397 4.382
153 2HB GLU 19 HB3 GLU 19 5.860 -4.084 5.307
154 1HG GLU 19 HG2 GLU 19 7.841 -4.005 6.766
155 2HG GLU 19 HG3 GLU 19 6.796 -5.378 7.258
156 H LEU 20 HN LEU 20 3.503 -5.987 4.174
157 HA LEU 20 HA LEU 20 2.630 -7.153 6.698
158 1HB LEU 20 HB2 LEU 20 1.249 -5.694 4.379
159 2HB LEU 20 HB3 LEU 20 0.285 -6.497 5.691
160 HG LEU 20 HG LEU 20 2.160 -4.134 5.975
161 1HD1 LEU 20 HD13 LEU 20 -0.027 -3.652 4.935
162 2HD1 LEU 20 HD11 LEU 20 -0.878 -4.395 6.339
163 3HD1 LEU 20 HD12 LEU 20 0.107 -2.900 6.568
164 1HD2 LEU 20 HD21 LEU 20 0.605 -5.629 8.183
165 2HD2 LEU 20 HD22 LEU 20 2.400 -5.486 8.047
166 3HD2 LEU 20 HD23 LEU 20 1.408 -4.025 8.376
167 H TYR 21 HN TYR 21 1.703 -7.536 3.231
168 HA TYR 21 HA TYR 21 0.462 -10.090 3.772
169 1HB TYR 21 HB2 TYR 21 0.221 -8.069 1.465
170 2HB TYR 21 HB3 TYR 21 -0.647 -9.650 1.501
171 HD1 TYR 21 HD2 TYR 21 -2.330 -10.142 3.115
172 HD2 TYR 21 HD1 TYR 21 -0.475 -6.259 3.093
173 HE1 TYR 21 HE2 TYR 21 -4.160 -9.265 4.513
174 HE2 TYR 21 HE1 TYR 21 -2.293 -5.389 4.504
175 HH TYR 21 HH TYR 21 -4.998 -7.491 5.596
176 H GLY 22 HN GLY 22 3.471 -9.003 2.498
177 1HA GLY 22 HA1 GLY 22 5.140 -10.447 2.279
178 2HA GLY 22 HA2 GLY 22 4.045 -11.772 1.779
179 H SER 23 HN SER 23 3.059 -11.551 -0.410
180 HA SER 23 HA SER 23 4.552 -10.079 -2.412
181 1HB SER 23 HB2 SER 23 4.485 -13.176 -2.360
182 2HB SER 23 HB3 SER 23 5.002 -12.181 -3.779
183 HG SER 23 HG SER 23 6.184 -12.171 -1.213
184 H SER 24 HN SER 24 1.797 -11.431 -1.000
185 HA SER 24 HA SER 24 0.161 -11.308 -3.444
186 1HB SER 24 HB2 SER 24 0.131 -13.463 -2.120
187 2HB SER 24 HB3 SER 24 -0.499 -12.568 -0.702
188 HG SER 24 HG SER 24 -2.105 -13.568 -1.952
189 H ALA 25 HN ALA 25 0.732 -8.883 -3.144
190 HA ALA 25 HA ALA 25 -1.040 -7.547 -1.201
191 1HB ALA 25 HB2 ALA 25 1.789 -6.758 -2.167
192 2HB ALA 25 HB3 ALA 25 0.721 -5.712 -1.176
193 3HB ALA 25 HB1 ALA 25 1.331 -7.268 -0.508
194 H GLY 26 HN GLY 26 -2.573 -6.370 -2.207
195 1HA GLY 26 HA1 GLY 26 -2.159 -5.400 -4.958
196 2HA GLY 26 HA2 GLY 26 -3.689 -5.592 -4.020
197 H ALA 27 HN ALA 27 -0.700 -3.711 -4.395
198 HA ALA 27 HA ALA 27 -1.411 -1.890 -2.250
199 1HB ALA 27 HB1 ALA 27 1.104 -2.190 -4.003
200 2HB ALA 27 HB2 ALA 27 0.918 -1.016 -2.644
201 3HB ALA 27 HB3 ALA 27 0.888 -2.782 -2.323
202 H LYS 28 HN LYS 28 -2.638 -0.121 -2.713
203 HA LYS 28 HA LYS 28 -2.543 1.071 -5.417
204 1HB LYS 28 HB2 LYS 28 -4.866 1.008 -3.392
205 2HB LYS 28 HB3 LYS 28 -4.940 1.654 -5.083
206 1HG LYS 28 HG2 LYS 28 -4.587 -1.276 -4.227
207 2HG LYS 28 HG3 LYS 28 -6.102 -0.488 -4.774
208 1HD LYS 28 HD2 LYS 28 -5.022 0.015 -7.000
209 2HD LYS 28 HD3 LYS 28 -3.573 -0.918 -6.490
210 1HE LYS 28 HE2 LYS 28 -6.453 -2.038 -6.749
211 2HE LYS 28 HE3 LYS 28 -5.099 -2.296 -7.923
212 1HZ LYS 28 HZ3 LYS 28 -5.141 -3.162 -5.080
213 2HZ LYS 28 HZ1 LYS 28 -5.383 -4.147 -6.443
214 3HZ LYS 28 HZ2 LYS 28 -3.876 -3.409 -6.185
215 H CYS 29 HN CYS 29 -2.407 3.270 -5.467
216 HA CYS 29 HA CYS 29 -2.070 4.733 -2.913
217 1HB CYS 29 HB2 CYS 29 0.144 4.364 -4.016
218 2HB CYS 29 HB3 CYS 29 -0.460 5.111 -5.517
219 H MET 30 HN MET 30 -3.867 5.890 -2.728
220 HA MET 30 HA MET 30 -5.017 7.286 -5.054
221 1HB MET 30 HB2 MET 30 -6.412 6.151 -2.560
222 2HB MET 30 HB3 MET 30 -7.214 7.186 -3.791
223 1HG MET 30 HG2 MET 30 -6.010 4.398 -4.225
224 2HG MET 30 HG3 MET 30 -7.742 4.822 -4.094
225 1HE MET 30 HE1 MET 30 -8.081 3.339 -6.143
226 2HE MET 30 HE2 MET 30 -7.273 3.545 -7.736
227 3HE MET 30 HE3 MET 30 -6.313 3.054 -6.299
228 H ASN 31 HN ASN 31 -4.634 9.590 -4.769
229 HA ASN 31 HA ASN 31 -4.554 11.551 -3.908
230 1HB ASN 31 HB2 ASN 31 -5.257 10.487 -1.118
231 2HB ASN 31 HB3 ASN 31 -5.166 12.213 -1.618
232 1HD2 ASN 31 HD22 ASN 31 -8.605 10.168 -2.193
233 2HD2 ASN 31 HD21 ASN 31 -7.304 9.638 -1.179
234 H GLY 32 HN GLY 32 -3.338 10.059 -0.944
235 1HA GLY 32 HA1 GLY 32 -0.724 9.699 -1.749
236 2HA GLY 32 HA2 GLY 32 -0.871 11.254 -0.804
237 H LYS 33 HN LYS 33 -2.449 7.995 -0.742
238 HA LYS 33 HA LYS 33 -1.367 7.328 1.834
239 1HB LYS 33 HB2 LYS 33 -4.388 7.826 1.558
240 2HB LYS 33 HB3 LYS 33 -3.678 6.718 2.784
241 1HG LYS 33 HG2 LYS 33 -2.192 8.690 3.540
242 2HG LYS 33 HG3 LYS 33 -3.266 9.734 2.550
243 1HD LYS 33 HD2 LYS 33 -4.126 9.877 4.759
244 2HD LYS 33 HD3 LYS 33 -5.271 8.825 3.856
245 1HE LYS 33 HE2 LYS 33 -4.210 6.785 4.928
246 2HE LYS 33 HE3 LYS 33 -3.038 7.864 5.787
247 1HZ LYS 33 HZ1 LYS 33 -4.896 8.906 6.892
248 2HZ LYS 33 HZ2 LYS 33 -5.995 7.895 6.083
249 3HZ LYS 33 HZ3 LYS 33 -4.873 7.230 7.171
250 H CYS 34 HN CYS 34 -1.748 5.111 2.276
251 HA CYS 34 HA CYS 34 -1.672 3.574 -0.200
252 1HB CYS 34 HB2 CYS 34 0.387 3.832 1.114
253 2HB CYS 34 HB3 CYS 34 -0.435 3.277 2.593
254 H LYS 35 HN LYS 35 -2.766 1.698 -0.467
255 HA LYS 35 HA LYS 35 -4.532 0.657 1.661
256 1HB LYS 35 HB2 LYS 35 -4.962 0.876 -1.382
257 2HB LYS 35 HB3 LYS 35 -5.961 -0.161 -0.307
258 1HG LYS 35 HG2 LYS 35 -6.488 1.877 1.061
259 2HG LYS 35 HG3 LYS 35 -5.723 2.910 -0.197
260 1HD LYS 35 HD2 LYS 35 -7.988 0.902 -0.722
261 2HD LYS 35 HD3 LYS 35 -8.284 2.636 -0.312
262 1HE LYS 35 HE2 LYS 35 -6.994 3.315 -2.376
263 2HE LYS 35 HE3 LYS 35 -6.803 1.566 -2.811
264 1HZ LYS 35 HZ3 LYS 35 -9.376 3.009 -2.486
265 2HZ LYS 35 HZ1 LYS 35 -8.634 2.574 -3.950
266 3HZ LYS 35 HZ2 LYS 35 -9.186 1.369 -2.887
267 H CYS 36 HN CYS 36 -4.370 -1.541 1.980
268 HA CYS 36 HA CYS 36 -2.560 -3.088 0.207
269 1HB CYS 36 HB2 CYS 36 -2.843 -3.463 3.248
270 2HB CYS 36 HB3 CYS 36 -1.778 -4.402 2.049
271 H TYR 37 HN TYR 37 -3.688 -4.575 -0.868
272 HA TYR 37 HA TYR 37 -6.016 -5.864 0.361
273 1HB TYR 37 HB2 TYR 37 -5.284 -5.067 -2.542
274 2HB TYR 37 HB3 TYR 37 -6.649 -6.140 -2.126
275 HD1 TYR 37 HD2 TYR 37 -8.262 -5.209 -0.231
276 HD2 TYR 37 HD1 TYR 37 -5.744 -2.695 -2.665
277 HE1 TYR 37 HE2 TYR 37 -9.771 -3.298 0.158
278 HE2 TYR 37 HE1 TYR 37 -7.291 -0.833 -2.364
279 HH TYR 37 HH TYR 37 -9.271 -0.141 -1.424
280 H ASN 38 HN ASN 38 -6.060 -7.921 -1.620
281 HA ASN 38 HA ASN 38 -3.507 -9.369 -1.276
282 1HB ASN 38 HB2 ASN 38 -6.377 -10.373 -0.747
283 2HB ASN 38 HB3 ASN 38 -5.014 -11.500 -1.104
284 1HD2 ASN 38 HD21 ASN 38 -3.354 -11.170 2.003
285 2HD2 ASN 38 HD22 ASN 38 -3.230 -11.665 0.348
286 H ASN 39 HN ASN 39 -2.879 -8.871 -3.405
287 HA ASN 39 HA ASN 39 -4.333 -10.354 -5.477
288 1HB ASN 39 HB2 ASN 39 -3.312 -7.457 -5.789
289 2HB ASN 39 HB3 ASN 39 -3.748 -8.548 -7.153
290 1HD2 ASN 39 HD22 ASN 39 -6.672 -6.428 -5.279
291 2HD2 ASN 39 HD21 ASN 39 -4.979 -6.155 -5.032
292 1H NH2 40 HT1 ASN 39 -1.075 -11.712 -5.604
293 2H NH2 40 HT2 ASN 39 -2.745 -11.975 -5.222
No H/Q in entry = 293
Start of MODEL 13
1 1H THR 1 HN THR 1 -9.321 -2.772 2.757
2 2H THR 1 HN3 THR 1 -8.001 -3.777 2.391
3 3H THR 1 HN2 THR 1 -9.170 -4.285 3.514
4 HA THR 1 HA THR 1 -8.585 -2.509 4.980
5 HB THR 1 HB THR 1 -6.184 -4.236 4.114
6 HG1 THR 1 HG1 THR 1 -8.172 -4.585 6.095
7 1HG2 THR 1 HG22 THR 1 -6.718 -2.730 6.773
8 2HG2 THR 1 HG23 THR 1 -5.427 -3.962 6.516
9 3HG2 THR 1 HG21 THR 1 -5.365 -2.412 5.623
10 H ILE 2 HN ILE 2 -7.808 -0.452 5.237
11 HA ILE 2 HA ILE 2 -6.109 0.739 3.158
12 HB ILE 2 HB ILE 2 -8.404 1.979 4.777
13 1HG1 ILE 2 HG12 ILE 2 -8.199 1.162 1.813
14 2HG1 ILE 2 HG13 ILE 2 -9.288 0.484 3.052
15 1HG2 ILE 2 HG23 ILE 2 -6.447 3.176 2.700
16 2HG2 ILE 2 HG21 ILE 2 -7.910 4.014 3.339
17 3HG2 ILE 2 HG22 ILE 2 -6.571 3.608 4.441
18 1HD1 ILE 2 HD12 ILE 2 -10.426 2.736 3.277
19 2HD1 ILE 2 HD13 ILE 2 -9.420 3.341 1.903
20 3HD1 ILE 2 HD11 ILE 2 -10.576 1.988 1.643
21 H ILE 3 HN ILE 3 -4.155 1.265 3.998
22 HA ILE 3 HA ILE 3 -3.804 1.515 6.914
23 HB ILE 3 HB ILE 3 -1.543 1.029 6.702
24 1HG1 ILE 3 HG12 ILE 3 -1.971 0.374 3.722
25 2HG1 ILE 3 HG13 ILE 3 -1.215 1.904 4.281
26 1HG2 ILE 3 HG22 ILE 3 -3.331 -0.715 7.057
27 2HG2 ILE 3 HG23 ILE 3 -3.306 -1.074 5.288
28 3HG2 ILE 3 HG21 ILE 3 -1.844 -1.366 6.290
29 1HD1 ILE 3 HD11 ILE 3 0.476 0.636 5.588
30 2HD1 ILE 3 HD12 ILE 3 -0.177 -0.919 4.951
31 3HD1 ILE 3 HD13 ILE 3 0.558 0.261 3.814
32 H ASN 4 HN ASN 4 -1.478 3.023 7.022
33 HA ASN 4 HA ASN 4 -2.111 5.571 5.710
34 1HB ASN 4 HB2 ASN 4 -1.782 6.807 7.869
35 2HB ASN 4 HB3 ASN 4 -3.281 5.849 7.759
36 1HD2 ASN 4 HD22 ASN 4 -0.729 5.205 10.861
37 2HD2 ASN 4 HD21 ASN 4 -0.519 6.481 9.708
38 H VAL 5 HN VAL 5 -0.409 4.840 4.320
39 HA VAL 5 HA VAL 5 2.174 5.805 5.306
40 HB VAL 5 HB VAL 5 1.636 3.323 3.587
41 1HG1 VAL 5 HG13 VAL 5 4.233 5.002 3.678
42 2HG1 VAL 5 HG11 VAL 5 4.144 3.295 3.108
43 3HG1 VAL 5 HG12 VAL 5 3.254 4.549 2.217
44 1HG2 VAL 5 HG21 VAL 5 3.377 3.885 6.075
45 2HG2 VAL 5 HG22 VAL 5 1.850 2.922 6.013
46 3HG2 VAL 5 HG23 VAL 5 3.327 2.324 5.182
47 H LYS 6 HN LYS 6 2.792 7.539 4.183
48 HA LYS 6 HA LYS 6 0.958 8.577 2.259
49 1HB LYS 6 HB2 LYS 6 3.576 9.819 3.283
50 2HB LYS 6 HB3 LYS 6 2.228 10.661 2.436
51 1HG LYS 6 HG2 LYS 6 2.141 9.367 5.236
52 2HG LYS 6 HG3 LYS 6 2.242 11.115 4.847
53 1HD LYS 6 HD2 LYS 6 -0.008 10.989 3.728
54 2HD LYS 6 HD3 LYS 6 -0.111 9.245 4.147
55 1HE LYS 6 HE2 LYS 6 -1.440 10.537 5.758
56 2HE LYS 6 HE3 LYS 6 -0.009 9.820 6.605
57 1HZ LYS 6 HZ1 LYS 6 1.094 11.949 6.402
58 2HZ LYS 6 HZ2 LYS 6 -0.255 12.615 5.613
59 3HZ LYS 6 HZ3 LYS 6 -0.385 12.095 7.225
60 H CYS 7 HN CYS 7 1.330 8.848 -0.005
61 HA CYS 7 HA CYS 7 3.809 7.771 -1.157
62 1HB CYS 7 HB2 CYS 7 2.686 6.066 -2.407
63 2HB CYS 7 HB3 CYS 7 2.242 5.899 -0.650
64 H THR 8 HN THR 8 3.696 7.978 -3.608
65 HA THR 8 HA THR 8 1.737 9.692 -4.733
66 HB THR 8 HB THR 8 3.285 11.410 -3.839
67 HG1 THR 8 HG1 THR 8 3.355 11.165 -6.643
68 1HG2 THR 8 HG21 THR 8 5.418 10.102 -3.863
69 2HG2 THR 8 HG22 THR 8 5.449 10.156 -5.665
70 3HG2 THR 8 HG23 THR 8 5.575 11.674 -4.713
71 H SER 9 HN SER 9 2.610 6.908 -4.676
72 HA SER 9 HA SER 9 2.713 6.299 -7.386
73 1HB SER 9 HB2 SER 9 4.937 5.144 -7.536
74 2HB SER 9 HB3 SER 9 5.139 6.904 -7.204
75 HG SER 9 HG SER 9 5.309 4.891 -5.273
76 HA PRO 10 HA PRO 10 1.291 2.652 -5.008
77 1HB PRO 10 HB2 PRO 10 1.744 1.131 -7.623
78 2HB PRO 10 HB3 PRO 10 0.344 1.101 -6.485
79 1HG PRO 10 HG2 PRO 10 0.241 2.536 -8.825
80 2HG PRO 10 HG3 PRO 10 -0.407 3.269 -7.297
81 1HD PRO 10 HD2 PRO 10 2.369 3.698 -8.565
82 2HD PRO 10 HD3 PRO 10 1.166 4.939 -7.977
83 H LYS 11 HN LYS 11 4.456 2.730 -6.616
84 HA LYS 11 HA LYS 11 5.522 0.473 -5.167
85 1HB LYS 11 HB2 LYS 11 6.924 2.562 -6.904
86 2HB LYS 11 HB3 LYS 11 7.646 1.031 -6.282
87 1HG LYS 11 HG2 LYS 11 5.301 1.279 -8.260
88 2HG LYS 11 HG3 LYS 11 6.999 0.860 -8.650
89 1HD LYS 11 HD2 LYS 11 6.841 -1.216 -7.290
90 2HD LYS 11 HD3 LYS 11 5.138 -0.840 -6.861
91 1HE LYS 11 HE2 LYS 11 6.165 -1.333 -9.734
92 2HE LYS 11 HE3 LYS 11 5.282 -2.526 -8.694
93 1HZ LYS 11 HZ1 LYS 11 3.417 -1.022 -8.637
94 2HZ LYS 11 HZ2 LYS 11 4.239 0.103 -9.607
95 3HZ LYS 11 HZ3 LYS 11 3.830 -1.422 -10.236
96 H GLN 12 HN GLN 12 4.558 3.406 -3.952
97 HA GLN 12 HA GLN 12 6.665 3.487 -1.920
98 1HB GLN 12 HB2 GLN 12 6.336 5.530 -3.279
99 2HB GLN 12 HB3 GLN 12 4.685 5.634 -2.798
100 1HG GLN 12 HG2 GLN 12 5.462 6.053 -0.388
101 2HG GLN 12 HG3 GLN 12 7.155 5.673 -0.886
102 1HE2 GLN 12 HE21 GLN 12 6.804 8.056 0.347
103 2HE2 GLN 12 HE22 GLN 12 6.886 9.383 -0.764
104 H CYS 13 HN CYS 13 4.280 1.669 -2.544
105 HA CYS 13 HA CYS 13 2.982 1.720 0.071
106 1HB CYS 13 HB2 CYS 13 1.492 2.996 -1.521
107 2HB CYS 13 HB3 CYS 13 1.570 1.667 -2.695
108 H SER 14 HN SER 14 4.472 -0.104 -2.638
109 HA SER 14 HA SER 14 3.465 -2.650 -1.812
110 1HB SER 14 HB2 SER 14 5.695 -1.793 -3.768
111 2HB SER 14 HB3 SER 14 5.094 -3.485 -3.554
112 HG SER 14 HG SER 14 3.575 -1.244 -4.365
113 H LYS 15 HN LYS 15 5.623 -0.494 -0.405
114 HA LYS 15 HA LYS 15 7.591 -2.305 0.587
115 1HB LYS 15 HB2 LYS 15 7.021 0.647 0.566
116 2HB LYS 15 HB3 LYS 15 7.930 0.022 1.966
117 1HG LYS 15 HG2 LYS 15 9.505 0.795 0.343
118 2HG LYS 15 HG3 LYS 15 9.621 -0.999 0.389
119 1HD LYS 15 HD2 LYS 15 8.309 -1.142 -1.737
120 2HD LYS 15 HD3 LYS 15 8.037 0.632 -1.696
121 1HE LYS 15 HE2 LYS 15 9.811 0.075 -3.335
122 2HE LYS 15 HE3 LYS 15 10.522 1.015 -1.960
123 1HZ LYS 15 HZ1 LYS 15 10.611 -1.938 -2.307
124 2HZ LYS 15 HZ2 LYS 15 11.882 -0.846 -2.585
125 3HZ LYS 15 HZ3 LYS 15 11.276 -1.063 -1.013
126 HA PRO 16 HA PRO 16 5.051 -1.856 4.646
127 1HB PRO 16 HB2 PRO 16 2.590 -0.575 4.671
128 2HB PRO 16 HB3 PRO 16 4.179 0.242 4.962
129 1HG PRO 16 HG2 PRO 16 2.613 -0.158 2.401
130 2HG PRO 16 HG3 PRO 16 3.141 1.442 3.061
131 1HD PRO 16 HD2 PRO 16 4.655 0.252 1.184
132 2HD PRO 16 HD3 PRO 16 5.495 0.893 2.636
133 H CYS 17 HN CYS 17 2.817 -2.207 1.772
134 HA CYS 17 HA CYS 17 1.170 -4.106 2.867
135 1HB CYS 17 HB2 CYS 17 1.678 -3.569 -0.114
136 2HB CYS 17 HB3 CYS 17 0.281 -4.466 0.585
137 H LYS 18 HN LYS 18 4.274 -4.551 0.990
138 HA LYS 18 HA LYS 18 3.920 -7.446 0.957
139 1HB LYS 18 HB2 LYS 18 6.139 -5.710 -0.164
140 2HB LYS 18 HB3 LYS 18 6.099 -7.509 -0.235
141 1HG LYS 18 HG2 LYS 18 3.858 -7.417 -1.317
142 2HG LYS 18 HG3 LYS 18 3.970 -5.622 -1.362
143 1HD LYS 18 HD2 LYS 18 5.924 -5.750 -2.887
144 2HD LYS 18 HD3 LYS 18 5.991 -7.537 -2.699
145 1HE LYS 18 HE2 LYS 18 4.950 -6.919 -4.883
146 2HE LYS 18 HE3 LYS 18 3.767 -7.782 -3.818
147 1HZ LYS 18 HZ1 LYS 18 3.945 -4.840 -4.212
148 2HZ LYS 18 HZ2 LYS 18 2.801 -5.888 -4.904
149 3HZ LYS 18 HZ3 LYS 18 2.833 -5.656 -3.221
150 H GLU 19 HN GLU 19 4.997 -5.153 3.182
151 HA GLU 19 HA GLU 19 6.605 -7.047 4.726
152 1HB GLU 19 HB2 GLU 19 7.160 -4.661 4.660
153 2HB GLU 19 HB3 GLU 19 5.631 -4.231 5.454
154 1HG GLU 19 HG2 GLU 19 7.720 -6.122 6.743
155 2HG GLU 19 HG3 GLU 19 7.865 -4.330 6.817
156 H LEU 20 HN LEU 20 3.255 -6.053 4.362
157 HA LEU 20 HA LEU 20 2.293 -7.253 6.821
158 1HB LEU 20 HB2 LEU 20 1.031 -5.723 4.487
159 2HB LEU 20 HB3 LEU 20 -0.001 -6.493 5.769
160 HG LEU 20 HG LEU 20 1.978 -4.221 6.115
161 1HD1 LEU 20 HD13 LEU 20 -0.151 -3.619 5.027
162 2HD1 LEU 20 HD11 LEU 20 -1.077 -4.338 6.397
163 3HD1 LEU 20 HD12 LEU 20 -0.028 -2.894 6.672
164 1HD2 LEU 20 HD23 LEU 20 0.303 -5.651 8.276
165 2HD2 LEU 20 HD21 LEU 20 2.106 -5.592 8.180
166 3HD2 LEU 20 HD22 LEU 20 1.174 -4.088 8.498
167 H TYR 21 HN TYR 21 1.523 -7.622 3.309
168 HA TYR 21 HA TYR 21 0.129 -10.115 3.806
169 1HB TYR 21 HB2 TYR 21 0.089 -8.113 1.469
170 2HB TYR 21 HB3 TYR 21 -0.827 -9.662 1.463
171 HD1 TYR 21 HD1 TYR 21 -0.573 -6.310 3.153
172 HD2 TYR 21 HD2 TYR 21 -2.726 -10.022 2.818
173 HE1 TYR 21 HE1 TYR 21 -2.430 -5.355 4.454
174 HE2 TYR 21 HE2 TYR 21 -4.607 -9.047 4.077
175 HH TYR 21 HH TYR 21 -5.396 -7.247 5.170
176 H GLY 22 HN GLY 22 3.243 -9.148 2.684
177 1HA GLY 22 HA1 GLY 22 4.855 -10.679 2.590
178 2HA GLY 22 HA2 GLY 22 3.740 -11.945 1.987
179 H SER 23 HN SER 23 2.944 -11.662 -0.279
180 HA SER 23 HA SER 23 4.684 -10.222 -2.113
181 1HB SER 23 HB2 SER 23 4.379 -13.305 -2.168
182 2HB SER 23 HB3 SER 23 5.090 -12.311 -3.501
183 HG SER 23 HG SER 23 6.652 -11.617 -2.020
184 H SER 24 HN SER 24 1.758 -11.642 -1.018
185 HA SER 24 HA SER 24 0.324 -11.258 -3.550
186 1HB SER 24 HB2 SER 24 0.140 -13.477 -2.377
187 2HB SER 24 HB3 SER 24 -0.587 -12.659 -0.960
188 HG SER 24 HG SER 24 -2.103 -13.534 -2.405
189 H ALA 25 HN ALA 25 0.753 -8.838 -3.189
190 HA ALA 25 HA ALA 25 -1.133 -7.619 -1.285
191 1HB ALA 25 HB3 ALA 25 1.732 -6.712 -2.031
192 2HB ALA 25 HB1 ALA 25 0.569 -5.755 -1.055
193 3HB ALA 25 HB2 ALA 25 1.198 -7.319 -0.431
194 H GLY 26 HN GLY 26 -2.625 -6.450 -2.368
195 1HA GLY 26 HA1 GLY 26 -2.084 -5.429 -5.074
196 2HA GLY 26 HA2 GLY 26 -3.654 -5.629 -4.203
197 H ALA 27 HN ALA 27 -0.627 -3.755 -4.388
198 HA ALA 27 HA ALA 27 -1.415 -1.956 -2.262
199 1HB ALA 27 HB3 ALA 27 1.160 -2.217 -3.927
200 2HB ALA 27 HB1 ALA 27 0.923 -1.091 -2.535
201 3HB ALA 27 HB2 ALA 27 0.877 -2.867 -2.280
202 H LYS 28 HN LYS 28 -2.521 -0.078 -2.689
203 HA LYS 28 HA LYS 28 -2.417 1.082 -5.406
204 1HB LYS 28 HB2 LYS 28 -4.782 0.915 -3.439
205 2HB LYS 28 HB3 LYS 28 -4.842 1.610 -5.104
206 1HG LYS 28 HG2 LYS 28 -4.227 -0.769 -5.935
207 2HG LYS 28 HG3 LYS 28 -4.470 -1.297 -4.227
208 1HD LYS 28 HD2 LYS 28 -6.496 -1.789 -5.412
209 2HD LYS 28 HD3 LYS 28 -6.832 -0.393 -4.328
210 1HE LYS 28 HE2 LYS 28 -6.647 1.175 -6.299
211 2HE LYS 28 HE3 LYS 28 -6.307 -0.238 -7.378
212 1HZ LYS 28 HZ1 LYS 28 -8.767 0.196 -5.766
213 2HZ LYS 28 HZ2 LYS 28 -8.599 0.431 -7.440
214 3HZ LYS 28 HZ3 LYS 28 -8.457 -1.128 -6.782
215 H CYS 29 HN CYS 29 -2.401 3.311 -5.465
216 HA CYS 29 HA CYS 29 -2.081 4.767 -2.909
217 1HB CYS 29 HB2 CYS 29 0.119 4.445 -4.058
218 2HB CYS 29 HB3 CYS 29 -0.524 5.211 -5.532
219 H MET 30 HN MET 30 -3.843 5.969 -2.683
220 HA MET 30 HA MET 30 -5.028 7.376 -4.981
221 1HB MET 30 HB2 MET 30 -6.420 6.042 -2.585
222 2HB MET 30 HB3 MET 30 -7.253 7.184 -3.693
223 1HG MET 30 HG2 MET 30 -6.016 4.483 -4.449
224 2HG MET 30 HG3 MET 30 -7.752 4.854 -4.231
225 1HE MET 30 HE2 MET 30 -8.012 3.555 -6.448
226 2HE MET 30 HE3 MET 30 -7.263 4.008 -8.018
227 3HE MET 30 HE1 MET 30 -6.233 3.417 -6.671
228 H ASN 31 HN ASN 31 -4.774 9.684 -4.587
229 HA ASN 31 HA ASN 31 -4.791 11.591 -3.619
230 1HB ASN 31 HB2 ASN 31 -6.488 10.793 -1.951
231 2HB ASN 31 HB3 ASN 31 -5.169 10.373 -0.821
232 1HD2 ASN 31 HD22 ASN 31 -6.040 14.395 -1.677
233 2HD2 ASN 31 HD21 ASN 31 -6.381 13.161 -2.844
234 H GLY 32 HN GLY 32 -3.267 10.043 -0.841
235 1HA GLY 32 HA1 GLY 32 -0.757 9.656 -1.899
236 2HA GLY 32 HA2 GLY 32 -0.775 11.208 -0.934
237 H LYS 33 HN LYS 33 -2.400 7.974 -0.745
238 HA LYS 33 HA LYS 33 -1.228 7.340 1.810
239 1HB LYS 33 HB2 LYS 33 -4.285 7.679 1.590
240 2HB LYS 33 HB3 LYS 33 -3.431 6.777 2.890
241 1HG LYS 33 HG2 LYS 33 -3.519 8.674 4.055
242 2HG LYS 33 HG3 LYS 33 -2.104 9.160 3.059
243 1HD LYS 33 HD2 LYS 33 -3.810 10.249 1.420
244 2HD LYS 33 HD3 LYS 33 -5.106 9.769 2.557
245 1HE LYS 33 HE2 LYS 33 -4.597 12.133 2.922
246 2HE LYS 33 HE3 LYS 33 -3.996 11.211 4.361
247 1HZ LYS 33 HZ1 LYS 33 -2.365 12.138 2.051
248 2HZ LYS 33 HZ2 LYS 33 -2.426 12.843 3.596
249 3HZ LYS 33 HZ3 LYS 33 -1.792 11.279 3.399
250 H CYS 34 HN CYS 34 -1.627 5.094 2.271
251 HA CYS 34 HA CYS 34 -1.575 3.579 -0.224
252 1HB CYS 34 HB2 CYS 34 0.492 3.799 1.080
253 2HB CYS 34 HB3 CYS 34 -0.330 3.245 2.561
254 H LYS 35 HN LYS 35 -2.697 1.698 -0.509
255 HA LYS 35 HA LYS 35 -4.489 0.698 1.613
256 1HB LYS 35 HB2 LYS 35 -4.872 0.895 -1.439
257 2HB LYS 35 HB3 LYS 35 -5.908 -0.097 -0.358
258 1HG LYS 35 HG2 LYS 35 -6.408 1.981 0.959
259 2HG LYS 35 HG3 LYS 35 -5.597 2.969 -0.306
260 1HD LYS 35 HD2 LYS 35 -7.924 1.023 -0.809
261 2HD LYS 35 HD3 LYS 35 -8.153 2.782 -0.469
262 1HE LYS 35 HE2 LYS 35 -6.815 3.327 -2.543
263 2HE LYS 35 HE3 LYS 35 -6.679 1.556 -2.899
264 1HZ LYS 35 HZ1 LYS 35 -9.206 3.094 -2.680
265 2HZ LYS 35 HZ2 LYS 35 -8.456 2.571 -4.112
266 3HZ LYS 35 HZ3 LYS 35 -9.063 1.433 -3.007
267 H CYS 36 HN CYS 36 -4.431 -1.524 1.879
268 HA CYS 36 HA CYS 36 -2.561 -3.084 0.183
269 1HB CYS 36 HB2 CYS 36 -2.942 -3.435 3.216
270 2HB CYS 36 HB3 CYS 36 -1.852 -4.397 2.059
271 H TYR 37 HN TYR 37 -3.685 -4.562 -0.928
272 HA TYR 37 HA TYR 37 -6.004 -5.877 0.285
273 1HB TYR 37 HB2 TYR 37 -5.326 -5.028 -2.617
274 2HB TYR 37 HB3 TYR 37 -6.686 -6.102 -2.181
275 HD1 TYR 37 HD2 TYR 37 -8.296 -5.209 -0.303
276 HD2 TYR 37 HD1 TYR 37 -5.744 -2.641 -2.642
277 HE1 TYR 37 HE2 TYR 37 -9.764 -3.291 0.176
278 HE2 TYR 37 HE1 TYR 37 -7.227 -0.760 -2.233
279 HH TYR 37 HH TYR 37 -10.223 -1.165 -0.209
280 H ASN 38 HN ASN 38 -5.786 -7.693 -2.136
281 HA ASN 38 HA ASN 38 -3.274 -9.142 -1.657
282 1HB ASN 38 HB2 ASN 38 -6.134 -10.328 -1.630
283 2HB ASN 38 HB3 ASN 38 -4.652 -11.328 -1.865
284 1HD2 ASN 38 HD21 ASN 38 -3.535 -11.206 1.507
285 2HD2 ASN 38 HD22 ASN 38 -3.079 -11.483 -0.140
286 H ASN 39 HN ASN 39 -2.715 -10.446 -3.555
287 HA ASN 39 HA ASN 39 -3.833 -9.480 -6.078
288 1HB ASN 39 HB2 ASN 39 -1.532 -11.433 -5.456
289 2HB ASN 39 HB3 ASN 39 -2.085 -10.989 -7.114
290 1HD2 ASN 39 HD22 ASN 39 -0.986 -7.445 -6.676
291 2HD2 ASN 39 HD21 ASN 39 -2.467 -8.266 -7.047
292 1H NH2 40 HT1 ASN 39 -5.469 -10.606 -7.057
293 2H NH2 40 HT2 ASN 39 -5.898 -12.255 -6.744
No H/Q in entry = 293
Start of MODEL 14
1 1H THR 1 HN2 THR 1 -8.413 -3.653 2.977
2 2H THR 1 HN THR 1 -6.820 -4.197 3.200
3 3H THR 1 HN3 THR 1 -8.063 -4.779 4.200
4 HA THR 1 HA THR 1 -8.420 -2.632 5.085
5 HB THR 1 HB THR 1 -6.830 -4.272 6.128
6 HG1 THR 1 HG1 THR 1 -6.174 -1.560 6.523
7 1HG2 THR 1 HG21 THR 1 -5.027 -4.228 4.379
8 2HG2 THR 1 HG22 THR 1 -4.593 -2.545 4.847
9 3HG2 THR 1 HG23 THR 1 -4.386 -3.884 6.022
10 H ILE 2 HN ILE 2 -7.520 -0.402 5.475
11 HA ILE 2 HA ILE 2 -6.090 0.790 3.211
12 HB ILE 2 HB ILE 2 -8.469 1.908 4.803
13 1HG1 ILE 2 HG12 ILE 2 -8.198 1.024 1.858
14 2HG1 ILE 2 HG13 ILE 2 -9.209 0.279 3.123
15 1HG2 ILE 2 HG21 ILE 2 -6.635 3.206 2.675
16 2HG2 ILE 2 HG22 ILE 2 -8.166 3.930 3.297
17 3HG2 ILE 2 HG23 ILE 2 -6.791 3.683 4.404
18 1HD1 ILE 2 HD13 ILE 2 -10.559 2.413 3.298
19 2HD1 ILE 2 HD11 ILE 2 -9.623 3.078 1.904
20 3HD1 ILE 2 HD12 ILE 2 -10.641 1.614 1.683
21 H ILE 3 HN ILE 3 -4.109 1.254 4.027
22 HA ILE 3 HA ILE 3 -3.739 1.677 6.908
23 HB ILE 3 HB ILE 3 -1.463 1.203 6.672
24 1HG1 ILE 3 HG12 ILE 3 -2.002 0.422 3.737
25 2HG1 ILE 3 HG13 ILE 3 -1.190 1.953 4.216
26 1HG2 ILE 3 HG22 ILE 3 -3.254 -0.511 7.167
27 2HG2 ILE 3 HG23 ILE 3 -3.274 -0.954 5.418
28 3HG2 ILE 3 HG21 ILE 3 -1.791 -1.211 6.396
29 1HD1 ILE 3 HD12 ILE 3 0.517 0.683 5.502
30 2HD1 ILE 3 HD13 ILE 3 -0.204 -0.873 4.953
31 3HD1 ILE 3 HD11 ILE 3 0.523 0.235 3.743
32 H ASN 4 HN ASN 4 -1.538 3.178 7.143
33 HA ASN 4 HA ASN 4 -2.144 5.758 5.826
34 1HB ASN 4 HB2 ASN 4 -1.529 5.267 8.812
35 2HB ASN 4 HB3 ASN 4 -1.661 6.883 8.020
36 1HD2 ASN 4 HD22 ASN 4 -5.012 4.997 9.339
37 2HD2 ASN 4 HD21 ASN 4 -3.404 4.470 9.708
38 H VAL 5 HN VAL 5 -0.439 4.865 4.365
39 HA VAL 5 HA VAL 5 2.174 5.848 5.275
40 HB VAL 5 HB VAL 5 1.583 3.358 3.585
41 1HG1 VAL 5 HG12 VAL 5 4.172 5.051 3.638
42 2HG1 VAL 5 HG13 VAL 5 4.115 3.329 3.124
43 3HG1 VAL 5 HG11 VAL 5 3.201 4.536 2.191
44 1HG2 VAL 5 HG21 VAL 5 3.347 3.917 6.058
45 2HG2 VAL 5 HG22 VAL 5 1.805 2.978 6.017
46 3HG2 VAL 5 HG23 VAL 5 3.266 2.350 5.179
47 H LYS 6 HN LYS 6 2.656 7.633 4.186
48 HA LYS 6 HA LYS 6 0.821 8.543 2.182
49 1HB LYS 6 HB2 LYS 6 3.143 9.896 3.619
50 2HB LYS 6 HB3 LYS 6 2.220 10.696 2.307
51 1HG LYS 6 HG2 LYS 6 1.408 11.493 4.402
52 2HG LYS 6 HG3 LYS 6 0.126 10.578 3.546
53 1HD LYS 6 HD2 LYS 6 0.424 8.659 5.083
54 2HD LYS 6 HD3 LYS 6 1.792 9.503 5.904
55 1HE LYS 6 HE2 LYS 6 0.199 11.299 6.667
56 2HE LYS 6 HE3 LYS 6 -1.154 10.473 5.788
57 1HZ LYS 6 HZ3 LYS 6 -0.820 8.554 7.190
58 2HZ LYS 6 HZ1 LYS 6 0.445 9.328 8.017
59 3HZ LYS 6 HZ2 LYS 6 -1.134 9.944 8.115
60 H CYS 7 HN CYS 7 1.317 9.006 -0.002
61 HA CYS 7 HA CYS 7 3.789 7.868 -1.090
62 1HB CYS 7 HB2 CYS 7 2.679 6.114 -2.313
63 2HB CYS 7 HB3 CYS 7 2.222 5.990 -0.555
64 H THR 8 HN THR 8 3.716 7.941 -3.516
65 HA THR 8 HA THR 8 1.930 9.802 -4.754
66 HB THR 8 HB THR 8 3.649 11.327 -3.794
67 HG1 THR 8 HG1 THR 8 3.765 11.082 -6.597
68 1HG2 THR 8 HG21 THR 8 5.604 9.734 -3.789
69 2HG2 THR 8 HG22 THR 8 5.698 9.850 -5.587
70 3HG2 THR 8 HG23 THR 8 5.980 11.306 -4.573
71 H SER 9 HN SER 9 2.659 6.898 -4.616
72 HA SER 9 HA SER 9 2.787 6.256 -7.323
73 1HB SER 9 HB2 SER 9 4.988 5.007 -7.369
74 2HB SER 9 HB3 SER 9 5.212 6.777 -7.144
75 HG SER 9 HG SER 9 5.314 4.885 -5.089
76 HA PRO 10 HA PRO 10 1.317 2.604 -4.951
77 1HB PRO 10 HB2 PRO 10 1.673 1.137 -7.610
78 2HB PRO 10 HB3 PRO 10 0.286 1.136 -6.458
79 1HG PRO 10 HG2 PRO 10 0.204 2.597 -8.777
80 2HG PRO 10 HG3 PRO 10 -0.426 3.315 -7.234
81 1HD PRO 10 HD2 PRO 10 2.353 3.716 -8.503
82 2HD PRO 10 HD3 PRO 10 1.171 4.969 -7.899
83 H LYS 11 HN LYS 11 4.400 2.754 -6.664
84 HA LYS 11 HA LYS 11 5.629 0.466 -5.564
85 1HB LYS 11 HB2 LYS 11 6.887 3.012 -6.709
86 2HB LYS 11 HB3 LYS 11 7.731 1.441 -6.439
87 1HG LYS 11 HG2 LYS 11 5.413 1.954 -8.405
88 2HG LYS 11 HG3 LYS 11 7.158 1.823 -8.797
89 1HD LYS 11 HD2 LYS 11 7.167 -0.556 -7.984
90 2HD LYS 11 HD3 LYS 11 5.417 -0.427 -7.600
91 1HE LYS 11 HE2 LYS 11 5.698 -1.588 -9.753
92 2HE LYS 11 HE3 LYS 11 4.908 0.016 -10.032
93 1HZ LYS 11 HZ3 LYS 11 7.054 0.893 -10.670
94 2HZ LYS 11 HZ1 LYS 11 7.790 -0.617 -10.412
95 3HZ LYS 11 HZ2 LYS 11 6.620 -0.440 -11.631
96 H GLN 12 HN GLN 12 4.855 3.558 -4.088
97 HA GLN 12 HA GLN 12 6.827 3.412 -1.999
98 1HB GLN 12 HB2 GLN 12 6.348 5.561 -3.042
99 2HB GLN 12 HB3 GLN 12 4.645 5.378 -2.797
100 1HG GLN 12 HG2 GLN 12 5.736 7.022 -1.240
101 2HG GLN 12 HG3 GLN 12 5.016 5.684 -0.285
102 1HE2 GLN 12 HE22 GLN 12 9.196 5.863 -0.761
103 2HE2 GLN 12 HE21 GLN 12 8.155 6.404 -2.035
104 H CYS 13 HN CYS 13 3.829 1.991 -2.768
105 HA CYS 13 HA CYS 13 2.887 1.807 0.007
106 1HB CYS 13 HB2 CYS 13 1.385 3.028 -1.587
107 2HB CYS 13 HB3 CYS 13 1.468 1.682 -2.745
108 H SER 14 HN SER 14 4.414 0.013 -2.621
109 HA SER 14 HA SER 14 3.442 -2.588 -1.738
110 1HB SER 14 HB2 SER 14 4.893 -3.464 -3.565
111 2HB SER 14 HB3 SER 14 3.684 -2.264 -4.123
112 HG SER 14 HG SER 14 5.326 -0.704 -4.084
113 H LYS 15 HN LYS 15 5.615 -0.359 -0.479
114 HA LYS 15 HA LYS 15 7.616 -2.128 0.520
115 1HB LYS 15 HB2 LYS 15 7.011 0.790 0.464
116 2HB LYS 15 HB3 LYS 15 7.811 0.226 1.959
117 1HG LYS 15 HG2 LYS 15 9.561 -0.910 0.554
118 2HG LYS 15 HG3 LYS 15 8.828 -0.165 -0.912
119 1HD LYS 15 HD2 LYS 15 9.916 1.378 1.537
120 2HD LYS 15 HD3 LYS 15 10.881 1.035 0.064
121 1HE LYS 15 HE2 LYS 15 8.267 2.703 0.084
122 2HE LYS 15 HE3 LYS 15 9.945 3.377 0.102
123 1HZ LYS 15 HZ1 LYS 15 10.360 2.286 -1.989
124 2HZ LYS 15 HZ2 LYS 15 8.786 1.647 -2.016
125 3HZ LYS 15 HZ3 LYS 15 9.021 3.327 -2.092
126 HA PRO 16 HA PRO 16 5.102 -1.778 4.589
127 1HB PRO 16 HB2 PRO 16 2.630 -0.529 4.667
128 2HB PRO 16 HB3 PRO 16 4.216 0.308 4.919
129 1HG PRO 16 HG2 PRO 16 2.586 -0.105 2.404
130 2HG PRO 16 HG3 PRO 16 3.127 1.496 3.043
131 1HD PRO 16 HD2 PRO 16 4.559 0.274 1.116
132 2HD PRO 16 HD3 PRO 16 5.477 0.963 2.491
133 H CYS 17 HN CYS 17 2.807 -2.142 1.764
134 HA CYS 17 HA CYS 17 1.210 -4.075 2.884
135 1HB CYS 17 HB2 CYS 17 1.636 -3.466 -0.096
136 2HB CYS 17 HB3 CYS 17 0.274 -4.409 0.608
137 H LYS 18 HN LYS 18 4.259 -4.459 0.910
138 HA LYS 18 HA LYS 18 3.922 -7.350 0.820
139 1HB LYS 18 HB2 LYS 18 6.149 -5.646 -0.327
140 2HB LYS 18 HB3 LYS 18 5.955 -7.431 -0.499
141 1HG LYS 18 HG2 LYS 18 3.663 -7.047 -1.466
142 2HG LYS 18 HG3 LYS 18 3.981 -5.285 -1.461
143 1HD LYS 18 HD2 LYS 18 5.763 -5.544 -3.124
144 2HD LYS 18 HD3 LYS 18 5.785 -7.328 -2.904
145 1HE LYS 18 HE2 LYS 18 4.629 -6.681 -5.040
146 2HE LYS 18 HE3 LYS 18 3.531 -7.561 -3.900
147 1HZ LYS 18 HZ1 LYS 18 3.638 -4.618 -4.293
148 2HZ LYS 18 HZ2 LYS 18 2.466 -5.683 -4.909
149 3HZ LYS 18 HZ3 LYS 18 2.610 -5.456 -3.232
150 H GLU 19 HN GLU 19 5.093 -5.092 3.048
151 HA GLU 19 HA GLU 19 6.733 -7.024 4.497
152 1HB GLU 19 HB2 GLU 19 7.295 -4.603 4.407
153 2HB GLU 19 HB3 GLU 19 5.812 -4.226 5.330
154 1HG GLU 19 HG2 GLU 19 6.715 -5.550 7.291
155 2HG GLU 19 HG3 GLU 19 8.160 -5.996 6.306
156 H LEU 20 HN LEU 20 3.377 -6.017 4.281
157 HA LEU 20 HA LEU 20 2.550 -7.114 6.849
158 1HB LEU 20 HB2 LEU 20 1.155 -5.622 4.560
159 2HB LEU 20 HB3 LEU 20 0.189 -6.387 5.898
160 HG LEU 20 HG LEU 20 2.160 -4.100 6.154
161 1HD1 LEU 20 HD11 LEU 20 0.001 -3.513 5.124
162 2HD1 LEU 20 HD12 LEU 20 -0.886 -4.235 6.518
163 3HD1 LEU 20 HD13 LEU 20 0.160 -2.784 6.764
164 1HD2 LEU 20 HD23 LEU 20 0.549 -5.528 8.366
165 2HD2 LEU 20 HD21 LEU 20 2.348 -5.469 8.222
166 3HD2 LEU 20 HD22 LEU 20 1.425 -3.964 8.558
167 H TYR 21 HN TYR 21 1.429 -7.483 3.454
168 HA TYR 21 HA TYR 21 0.079 -9.960 4.066
169 1HB TYR 21 HB2 TYR 21 -0.041 -7.957 1.733
170 2HB TYR 21 HB3 TYR 21 -0.946 -9.518 1.717
171 HD1 TYR 21 HD2 TYR 21 -0.691 -6.185 3.454
172 HD2 TYR 21 HD1 TYR 21 -2.723 -9.970 3.200
173 HE1 TYR 21 HE2 TYR 21 -2.499 -5.313 4.880
174 HE2 TYR 21 HE1 TYR 21 -4.537 -9.098 4.622
175 HH TYR 21 HH TYR 21 -4.463 -5.761 5.925
176 H GLY 22 HN GLY 22 2.868 -8.810 2.204
177 1HA GLY 22 HA1 GLY 22 4.595 -10.217 1.659
178 2HA GLY 22 HA2 GLY 22 3.452 -11.570 1.320
179 H SER 23 HN SER 23 4.761 -11.562 -0.729
180 HA SER 23 HA SER 23 4.752 -9.499 -2.581
181 1HB SER 23 HB2 SER 23 5.271 -12.493 -2.998
182 2HB SER 23 HB3 SER 23 5.759 -11.173 -4.139
183 HG SER 23 HG SER 23 6.978 -10.298 -2.440
184 H SER 24 HN SER 24 2.087 -11.453 -1.843
185 HA SER 24 HA SER 24 0.742 -10.811 -4.387
186 1HB SER 24 HB2 SER 24 0.767 -13.262 -3.747
187 2HB SER 24 HB3 SER 24 -0.112 -12.857 -2.240
188 HG SER 24 HG SER 24 -1.753 -11.985 -3.621
189 H ALA 25 HN ALA 25 1.103 -8.561 -3.286
190 HA ALA 25 HA ALA 25 -1.177 -7.918 -1.524
191 1HB ALA 25 HB2 ALA 25 1.487 -6.350 -1.835
192 2HB ALA 25 HB3 ALA 25 0.068 -5.876 -0.848
193 3HB ALA 25 HB1 ALA 25 0.991 -7.343 -0.411
194 H GLY 26 HN GLY 26 -2.595 -6.389 -2.300
195 1HA GLY 26 HA1 GLY 26 -2.205 -5.315 -5.014
196 2HA GLY 26 HA2 GLY 26 -3.721 -5.506 -4.056
197 H ALA 27 HN ALA 27 -0.687 -3.695 -4.408
198 HA ALA 27 HA ALA 27 -1.328 -1.890 -2.230
199 1HB ALA 27 HB2 ALA 27 1.157 -2.230 -4.030
200 2HB ALA 27 HB3 ALA 27 1.014 -1.052 -2.672
201 3HB ALA 27 HB1 ALA 27 0.954 -2.816 -2.346
202 H LYS 28 HN LYS 28 -2.575 -0.112 -2.678
203 HA LYS 28 HA LYS 28 -2.471 1.094 -5.374
204 1HB LYS 28 HB2 LYS 28 -4.858 0.871 -3.448
205 2HB LYS 28 HB3 LYS 28 -4.900 1.531 -5.130
206 1HG LYS 28 HG2 LYS 28 -4.146 -0.805 -5.904
207 2HG LYS 28 HG3 LYS 28 -4.474 -1.357 -4.215
208 1HD LYS 28 HD2 LYS 28 -6.853 -0.742 -4.431
209 2HD LYS 28 HD3 LYS 28 -6.550 0.032 -6.022
210 1HE LYS 28 HE2 LYS 28 -7.618 -2.216 -6.299
211 2HE LYS 28 HE3 LYS 28 -5.969 -2.166 -7.044
212 1HZ LYS 28 HZ3 LYS 28 -6.653 -3.305 -4.385
213 2HZ LYS 28 HZ1 LYS 28 -6.344 -4.173 -5.813
214 3HZ LYS 28 HZ2 LYS 28 -5.108 -3.258 -5.090
215 H CYS 29 HN CYS 29 -2.364 3.275 -5.409
216 HA CYS 29 HA CYS 29 -2.078 4.730 -2.845
217 1HB CYS 29 HB2 CYS 29 0.129 4.406 -3.939
218 2HB CYS 29 HB3 CYS 29 -0.485 5.133 -5.444
219 H MET 30 HN MET 30 -3.859 5.935 -2.643
220 HA MET 30 HA MET 30 -5.025 7.313 -4.973
221 1HB MET 30 HB2 MET 30 -6.408 6.186 -2.469
222 2HB MET 30 HB3 MET 30 -7.213 7.241 -3.681
223 1HG MET 30 HG2 MET 30 -6.034 4.447 -4.153
224 2HG MET 30 HG3 MET 30 -7.763 4.873 -3.990
225 1HE MET 30 HE1 MET 30 -8.105 3.379 -6.045
226 2HE MET 30 HE2 MET 30 -7.306 3.596 -7.640
227 3HE MET 30 HE3 MET 30 -6.335 3.118 -6.206
228 H ASN 31 HN ASN 31 -4.615 9.615 -4.696
229 HA ASN 31 HA ASN 31 -4.591 11.572 -3.831
230 1HB ASN 31 HB2 ASN 31 -6.458 10.905 -2.312
231 2HB ASN 31 HB3 ASN 31 -5.274 10.498 -1.036
232 1HD2 ASN 31 HD22 ASN 31 -5.160 13.828 0.144
233 2HD2 ASN 31 HD21 ASN 31 -4.946 12.131 0.422
234 H GLY 32 HN GLY 32 -3.348 10.076 -0.877
235 1HA GLY 32 HA1 GLY 32 -0.725 9.749 -1.666
236 2HA GLY 32 HA2 GLY 32 -0.896 11.301 -0.720
237 H LYS 33 HN LYS 33 -2.434 8.020 -0.669
238 HA LYS 33 HA LYS 33 -1.270 7.318 1.839
239 1HB LYS 33 HB2 LYS 33 -4.298 7.824 1.763
240 2HB LYS 33 HB3 LYS 33 -3.525 6.661 2.900
241 1HG LYS 33 HG2 LYS 33 -1.985 8.560 3.658
242 2HG LYS 33 HG3 LYS 33 -3.138 9.684 2.857
243 1HD LYS 33 HD2 LYS 33 -3.821 7.632 5.057
244 2HD LYS 33 HD3 LYS 33 -3.561 9.394 5.307
245 1HE LYS 33 HE2 LYS 33 -5.555 9.903 3.850
246 2HE LYS 33 HE3 LYS 33 -5.841 8.129 3.627
247 1HZ LYS 33 HZ1 LYS 33 -5.852 9.593 6.211
248 2HZ LYS 33 HZ2 LYS 33 -7.209 9.048 5.347
249 3HZ LYS 33 HZ3 LYS 33 -6.113 7.927 6.002
250 H CYS 34 HN CYS 34 -1.688 5.081 2.271
251 HA CYS 34 HA CYS 34 -1.663 3.604 -0.244
252 1HB CYS 34 HB2 CYS 34 0.418 3.813 1.031
253 2HB CYS 34 HB3 CYS 34 -0.381 3.259 2.524
254 H LYS 35 HN LYS 35 -2.696 1.628 -0.477
255 HA LYS 35 HA LYS 35 -4.490 0.651 1.653
256 1HB LYS 35 HB2 LYS 35 -4.916 0.830 -1.399
257 2HB LYS 35 HB3 LYS 35 -5.930 -0.165 -0.290
258 1HG LYS 35 HG2 LYS 35 -6.420 1.920 1.021
259 2HG LYS 35 HG3 LYS 35 -5.644 2.902 -0.270
260 1HD LYS 35 HD2 LYS 35 -7.976 0.941 -0.691
261 2HD LYS 35 HD3 LYS 35 -8.191 2.707 -0.389
262 1HE LYS 35 HE2 LYS 35 -6.872 3.191 -2.495
263 2HE LYS 35 HE3 LYS 35 -6.780 1.414 -2.824
264 1HZ LYS 35 HZ1 LYS 35 -9.270 3.011 -2.576
265 2HZ LYS 35 HZ2 LYS 35 -8.562 2.450 -4.015
266 3HZ LYS 35 HZ3 LYS 35 -9.171 1.342 -2.881
267 H CYS 36 HN CYS 36 -4.417 -1.573 1.929
268 HA CYS 36 HA CYS 36 -2.580 -3.127 0.191
269 1HB CYS 36 HB2 CYS 36 -2.980 -3.614 3.199
270 2HB CYS 36 HB3 CYS 36 -1.860 -4.482 2.001
271 H TYR 37 HN TYR 37 -3.638 -4.687 -0.888
272 HA TYR 37 HA TYR 37 -6.035 -5.917 0.258
273 1HB TYR 37 HB2 TYR 37 -5.287 -5.046 -2.617
274 2HB TYR 37 HB3 TYR 37 -6.649 -6.137 -2.236
275 HD1 TYR 37 HD2 TYR 37 -8.350 -5.303 -0.449
276 HD2 TYR 37 HD1 TYR 37 -5.674 -2.645 -2.533
277 HE1 TYR 37 HE2 TYR 37 -9.853 -3.403 0.013
278 HE2 TYR 37 HE1 TYR 37 -7.212 -0.797 -2.188
279 HH TYR 37 HH TYR 37 -10.313 -1.270 -0.355
280 H ASN 38 HN ASN 38 -5.910 -7.850 -2.002
281 HA ASN 38 HA ASN 38 -3.512 -9.425 -1.282
282 1HB ASN 38 HB2 ASN 38 -6.455 -10.367 -1.402
283 2HB ASN 38 HB3 ASN 38 -5.035 -11.475 -1.281
284 1HD2 ASN 38 HD22 ASN 38 -4.210 -10.668 2.120
285 2HD2 ASN 38 HD21 ASN 38 -3.526 -11.127 0.597
286 H ASN 39 HN ASN 39 -4.365 -7.647 -3.654
287 HA ASN 39 HA ASN 39 -4.781 -9.594 -5.799
288 1HB ASN 39 HB2 ASN 39 -4.652 -6.525 -5.865
289 2HB ASN 39 HB3 ASN 39 -5.070 -7.604 -7.248
290 1HD2 ASN 39 HD22 ASN 39 -8.301 -8.598 -5.832
291 2HD2 ASN 39 HD21 ASN 39 -6.934 -9.268 -6.659
292 1H NH2 40 HT1 ASN 39 -1.196 -9.810 -6.134
293 2H NH2 40 HT2 ASN 39 -2.568 -10.578 -5.406
No H/Q in entry = 293
Start of MODEL 15
1 1H THR 1 HN2 THR 1 -8.484 -3.667 2.831
2 2H THR 1 HN THR 1 -6.904 -4.234 3.094
3 3H THR 1 HN3 THR 1 -8.186 -4.818 4.045
4 HA THR 1 HA THR 1 -8.548 -2.683 4.955
5 HB THR 1 HB THR 1 -7.018 -4.355 6.025
6 HG1 THR 1 HG1 THR 1 -7.563 -2.452 7.068
7 1HG2 THR 1 HG23 THR 1 -5.154 -4.332 4.347
8 2HG2 THR 1 HG21 THR 1 -4.712 -2.654 4.834
9 3HG2 THR 1 HG22 THR 1 -4.565 -4.001 6.011
10 H ILE 2 HN ILE 2 -7.632 -0.464 5.409
11 HA ILE 2 HA ILE 2 -6.150 0.745 3.186
12 HB ILE 2 HB ILE 2 -8.515 1.883 4.783
13 1HG1 ILE 2 HG12 ILE 2 -8.251 1.027 1.830
14 2HG1 ILE 2 HG13 ILE 2 -9.279 0.284 3.084
15 1HG2 ILE 2 HG22 ILE 2 -6.647 3.165 2.674
16 2HG2 ILE 2 HG23 ILE 2 -8.164 3.914 3.298
17 3HG2 ILE 2 HG21 ILE 2 -6.799 3.628 4.406
18 1HD1 ILE 2 HD12 ILE 2 -10.592 2.440 3.283
19 2HD1 ILE 2 HD13 ILE 2 -9.640 3.105 1.898
20 3HD1 ILE 2 HD11 ILE 2 -10.685 1.662 1.658
21 H ILE 3 HN ILE 3 -4.174 1.200 4.015
22 HA ILE 3 HA ILE 3 -3.815 1.571 6.907
23 HB ILE 3 HB ILE 3 -1.545 1.095 6.678
24 1HG1 ILE 3 HG12 ILE 3 -2.052 0.381 3.721
25 2HG1 ILE 3 HG13 ILE 3 -1.247 1.901 4.242
26 1HG2 ILE 3 HG23 ILE 3 -3.340 -0.635 7.111
27 2HG2 ILE 3 HG21 ILE 3 -3.339 -1.037 5.352
28 3HG2 ILE 3 HG22 ILE 3 -1.867 -1.315 6.342
29 1HD1 ILE 3 HD12 ILE 3 0.452 0.611 5.515
30 2HD1 ILE 3 HD13 ILE 3 -0.263 -0.937 4.935
31 3HD1 ILE 3 HD11 ILE 3 0.469 0.190 3.749
32 H ASN 4 HN ASN 4 -1.654 3.102 7.206
33 HA ASN 4 HA ASN 4 -2.258 5.677 5.874
34 1HB ASN 4 HB2 ASN 4 -1.696 5.214 8.872
35 2HB ASN 4 HB3 ASN 4 -1.874 6.818 8.062
36 1HD2 ASN 4 HD22 ASN 4 -5.168 4.917 9.422
37 2HD2 ASN 4 HD21 ASN 4 -3.543 4.526 9.877
38 H VAL 5 HN VAL 5 -0.518 4.858 4.449
39 HA VAL 5 HA VAL 5 2.073 5.829 5.423
40 HB VAL 5 HB VAL 5 1.505 3.318 3.751
41 1HG1 VAL 5 HG11 VAL 5 4.085 5.021 3.782
42 2HG1 VAL 5 HG12 VAL 5 4.066 3.276 3.361
43 3HG1 VAL 5 HG13 VAL 5 3.144 4.412 2.347
44 1HG2 VAL 5 HG23 VAL 5 3.251 3.894 6.233
45 2HG2 VAL 5 HG21 VAL 5 1.699 2.970 6.192
46 3HG2 VAL 5 HG22 VAL 5 3.158 2.316 5.371
47 H LYS 6 HN LYS 6 2.744 7.504 4.214
48 HA LYS 6 HA LYS 6 0.966 8.511 2.219
49 1HB LYS 6 HB2 LYS 6 3.541 9.618 3.451
50 2HB LYS 6 HB3 LYS 6 2.660 10.461 2.132
51 1HG LYS 6 HG2 LYS 6 2.104 11.492 4.185
52 2HG LYS 6 HG3 LYS 6 0.647 10.705 3.492
53 1HD LYS 6 HD2 LYS 6 0.708 8.947 5.180
54 2HD LYS 6 HD3 LYS 6 2.353 9.438 5.719
55 1HE LYS 6 HE2 LYS 6 0.599 10.186 7.342
56 2HE LYS 6 HE3 LYS 6 1.461 11.596 6.603
57 1HZ LYS 6 HZ1 LYS 6 -0.379 11.853 5.082
58 2HZ LYS 6 HZ2 LYS 6 -1.191 10.535 5.781
59 3HZ LYS 6 HZ3 LYS 6 -0.896 11.935 6.697
60 H CYS 7 HN CYS 7 1.459 8.865 -0.011
61 HA CYS 7 HA CYS 7 3.832 7.598 -1.158
62 1HB CYS 7 HB2 CYS 7 2.681 5.934 -2.401
63 2HB CYS 7 HB3 CYS 7 2.203 5.778 -0.651
64 H THR 8 HN THR 8 3.825 7.888 -3.555
65 HA THR 8 HA THR 8 1.981 9.748 -4.708
66 HB THR 8 HB THR 8 3.699 11.254 -3.729
67 HG1 THR 8 HG1 THR 8 2.682 11.784 -5.649
68 1HG2 THR 8 HG23 THR 8 5.665 9.686 -3.779
69 2HG2 THR 8 HG21 THR 8 5.739 9.830 -5.575
70 3HG2 THR 8 HG22 THR 8 6.023 11.272 -4.541
71 H SER 9 HN SER 9 2.760 6.844 -4.646
72 HA SER 9 HA SER 9 2.798 6.273 -7.371
73 1HB SER 9 HB2 SER 9 4.979 5.087 -7.589
74 2HB SER 9 HB3 SER 9 5.253 6.814 -7.147
75 HG SER 9 HG SER 9 5.352 4.677 -5.350
76 HA PRO 10 HA PRO 10 1.261 2.656 -5.035
77 1HB PRO 10 HB2 PRO 10 1.689 1.098 -7.628
78 2HB PRO 10 HB3 PRO 10 0.270 1.152 -6.518
79 1HG PRO 10 HG2 PRO 10 0.285 2.559 -8.879
80 2HG PRO 10 HG3 PRO 10 -0.375 3.330 -7.374
81 1HD PRO 10 HD2 PRO 10 2.444 3.648 -8.575
82 2HD PRO 10 HD3 PRO 10 1.274 4.935 -8.025
83 H LYS 11 HN LYS 11 4.438 2.573 -6.641
84 HA LYS 11 HA LYS 11 5.420 0.285 -5.240
85 1HB LYS 11 HB2 LYS 11 6.919 2.471 -6.771
86 2HB LYS 11 HB3 LYS 11 7.608 0.897 -6.231
87 1HG LYS 11 HG2 LYS 11 5.343 1.283 -8.283
88 2HG LYS 11 HG3 LYS 11 7.064 0.910 -8.626
89 1HD LYS 11 HD2 LYS 11 6.843 -1.261 -7.389
90 2HD LYS 11 HD3 LYS 11 5.100 -0.911 -7.095
91 1HE LYS 11 HE2 LYS 11 4.675 -0.881 -9.572
92 2HE LYS 11 HE3 LYS 11 6.423 -1.247 -9.874
93 1HZ LYS 11 HZ3 LYS 11 4.507 -2.951 -8.369
94 2HZ LYS 11 HZ1 LYS 11 5.060 -3.205 -9.955
95 3HZ LYS 11 HZ2 LYS 11 6.145 -3.295 -8.652
96 H GLN 12 HN GLN 12 4.757 3.466 -4.070
97 HA GLN 12 HA GLN 12 6.757 3.362 -1.965
98 1HB GLN 12 HB2 GLN 12 6.371 5.410 -3.305
99 2HB GLN 12 HB3 GLN 12 4.749 5.523 -2.740
100 1HG GLN 12 HG2 GLN 12 5.635 5.913 -0.374
101 2HG GLN 12 HG3 GLN 12 7.294 5.477 -0.925
102 1HE2 GLN 12 HE22 GLN 12 7.628 8.596 -2.931
103 2HE2 GLN 12 HE21 GLN 12 7.758 6.889 -3.202
104 H CYS 13 HN CYS 13 3.915 1.884 -2.686
105 HA CYS 13 HA CYS 13 2.869 1.849 0.054
106 1HB CYS 13 HB2 CYS 13 1.347 3.066 -1.523
107 2HB CYS 13 HB3 CYS 13 1.455 1.746 -2.707
108 H SER 14 HN SER 14 4.388 0.067 -2.629
109 HA SER 14 HA SER 14 3.495 -2.538 -1.763
110 1HB SER 14 HB2 SER 14 5.635 -1.662 -3.808
111 2HB SER 14 HB3 SER 14 5.070 -3.358 -3.529
112 HG SER 14 HG SER 14 3.490 -1.178 -4.369
113 H LYS 15 HN LYS 15 5.551 -0.237 -0.454
114 HA LYS 15 HA LYS 15 7.644 -1.887 0.527
115 1HB LYS 15 HB2 LYS 15 6.732 1.013 0.664
116 2HB LYS 15 HB3 LYS 15 7.969 0.421 1.803
117 1HG LYS 15 HG2 LYS 15 8.113 0.305 -1.283
118 2HG LYS 15 HG3 LYS 15 8.827 1.597 -0.261
119 1HD LYS 15 HD2 LYS 15 10.341 -0.073 0.826
120 2HD LYS 15 HD3 LYS 15 9.624 -1.382 -0.174
121 1HE LYS 15 HE2 LYS 15 11.779 -0.672 -1.153
122 2HE LYS 15 HE3 LYS 15 10.425 -0.238 -2.272
123 1HZ LYS 15 HZ3 LYS 15 10.518 2.007 -1.417
124 2HZ LYS 15 HZ1 LYS 15 11.794 1.595 -0.373
125 3HZ LYS 15 HZ2 LYS 15 12.017 1.525 -2.056
126 HA PRO 16 HA PRO 16 5.053 -1.706 4.569
127 1HB PRO 16 HB2 PRO 16 2.516 -0.578 4.596
128 2HB PRO 16 HB3 PRO 16 4.046 0.326 4.938
129 1HG PRO 16 HG2 PRO 16 2.544 -0.088 2.342
130 2HG PRO 16 HG3 PRO 16 2.950 1.516 3.062
131 1HD PRO 16 HD2 PRO 16 4.601 0.499 1.176
132 2HD PRO 16 HD3 PRO 16 5.347 1.133 2.681
133 H CYS 17 HN CYS 17 2.838 -2.093 1.664
134 HA CYS 17 HA CYS 17 1.276 -4.062 2.763
135 1HB CYS 17 HB2 CYS 17 1.687 -3.459 -0.217
136 2HB CYS 17 HB3 CYS 17 0.351 -4.435 0.491
137 H LYS 18 HN LYS 18 4.382 -4.391 0.887
138 HA LYS 18 HA LYS 18 4.089 -7.291 0.760
139 1HB LYS 18 HB2 LYS 18 6.334 -5.498 -0.231
140 2HB LYS 18 HB3 LYS 18 6.290 -7.300 -0.360
141 1HG LYS 18 HG2 LYS 18 3.978 -7.003 -1.471
142 2HG LYS 18 HG3 LYS 18 4.418 -5.274 -1.651
143 1HD LYS 18 HD2 LYS 18 5.871 -7.758 -2.792
144 2HD LYS 18 HD3 LYS 18 4.909 -6.553 -3.720
145 1HE LYS 18 HE2 LYS 18 6.645 -4.780 -3.167
146 2HE LYS 18 HE3 LYS 18 7.621 -6.032 -2.301
147 1HZ LYS 18 HZ3 LYS 18 6.846 -6.085 -5.169
148 2HZ LYS 18 HZ1 LYS 18 8.370 -5.687 -4.535
149 3HZ LYS 18 HZ2 LYS 18 7.760 -7.263 -4.356
150 H GLU 19 HN GLU 19 5.256 -4.945 2.989
151 HA GLU 19 HA GLU 19 6.835 -6.850 4.517
152 1HB GLU 19 HB2 GLU 19 7.339 -4.393 4.435
153 2HB GLU 19 HB3 GLU 19 5.839 -4.072 5.339
154 1HG GLU 19 HG2 GLU 19 7.806 -3.996 6.822
155 2HG GLU 19 HG3 GLU 19 6.748 -5.362 7.308
156 H LEU 20 HN LEU 20 3.488 -5.967 4.199
157 HA LEU 20 HA LEU 20 2.597 -7.143 6.716
158 1HB LEU 20 HB2 LEU 20 1.230 -5.640 4.416
159 2HB LEU 20 HB3 LEU 20 0.264 -6.444 5.731
160 HG LEU 20 HG LEU 20 2.168 -4.102 6.022
161 1HD1 LEU 20 HD11 LEU 20 -0.016 -3.581 4.997
162 2HD1 LEU 20 HD12 LEU 20 -0.872 -4.332 6.396
163 3HD1 LEU 20 HD13 LEU 20 0.131 -2.851 6.638
164 1HD2 LEU 20 HD21 LEU 20 0.605 -5.598 8.224
165 2HD2 LEU 20 HD22 LEU 20 2.401 -5.478 8.079
166 3HD2 LEU 20 HD23 LEU 20 1.429 -4.007 8.428
167 H TYR 21 HN TYR 21 1.653 -7.462 3.246
168 HA TYR 21 HA TYR 21 0.395 -10.013 3.759
169 1HB TYR 21 HB2 TYR 21 0.151 -7.960 1.483
170 2HB TYR 21 HB3 TYR 21 -0.715 -9.540 1.495
171 HD1 TYR 21 HD1 TYR 21 -2.408 -10.055 3.067
172 HD2 TYR 21 HD2 TYR 21 -0.528 -6.187 3.176
173 HE1 TYR 21 HE1 TYR 21 -4.222 -9.221 4.511
174 HE2 TYR 21 HE2 TYR 21 -2.336 -5.353 4.631
175 HH TYR 21 HH TYR 21 -4.255 -5.845 5.721
176 H GLY 22 HN GLY 22 3.431 -8.991 2.545
177 1HA GLY 22 HA1 GLY 22 5.059 -10.470 2.312
178 2HA GLY 22 HA2 GLY 22 3.931 -11.760 1.795
179 H SER 23 HN SER 23 2.966 -11.486 -0.411
180 HA SER 23 HA SER 23 4.495 -10.043 -2.375
181 1HB SER 23 HB2 SER 23 5.886 -12.163 -1.893
182 2HB SER 23 HB3 SER 23 4.494 -13.142 -2.456
183 HG SER 23 HG SER 23 4.700 -11.991 -4.451
184 H SER 24 HN SER 24 1.756 -11.451 -1.009
185 HA SER 24 HA SER 24 0.133 -11.312 -3.462
186 1HB SER 24 HB2 SER 24 0.069 -13.475 -2.157
187 2HB SER 24 HB3 SER 24 -0.551 -12.583 -0.732
188 HG SER 24 HG SER 24 -2.313 -11.950 -2.088
189 H ALA 25 HN ALA 25 0.707 -8.895 -3.165
190 HA ALA 25 HA ALA 25 -1.029 -7.546 -1.202
191 1HB ALA 25 HB2 ALA 25 1.783 -6.764 -2.230
192 2HB ALA 25 HB3 ALA 25 0.737 -5.717 -1.214
193 3HB ALA 25 HB1 ALA 25 1.359 -7.275 -0.562
194 H GLY 26 HN GLY 26 -2.546 -6.295 -2.162
195 1HA GLY 26 HA1 GLY 26 -2.172 -5.362 -4.936
196 2HA GLY 26 HA2 GLY 26 -3.697 -5.545 -3.989
197 H ALA 27 HN ALA 27 -0.684 -3.704 -4.375
198 HA ALA 27 HA ALA 27 -1.349 -1.868 -2.231
199 1HB ALA 27 HB1 ALA 27 1.141 -2.208 -4.011
200 2HB ALA 27 HB2 ALA 27 0.989 -1.023 -2.658
201 3HB ALA 27 HB3 ALA 27 0.938 -2.786 -2.325
202 H LYS 28 HN LYS 28 -2.577 -0.092 -2.695
203 HA LYS 28 HA LYS 28 -2.479 1.084 -5.404
204 1HB LYS 28 HB2 LYS 28 -4.874 0.851 -3.482
205 2HB LYS 28 HB3 LYS 28 -4.917 1.503 -5.169
206 1HG LYS 28 HG2 LYS 28 -4.140 -0.836 -5.923
207 2HG LYS 28 HG3 LYS 28 -4.472 -1.376 -4.229
208 1HD LYS 28 HD2 LYS 28 -6.855 -0.779 -4.464
209 2HD LYS 28 HD3 LYS 28 -6.548 -0.023 -6.063
210 1HE LYS 28 HE2 LYS 28 -7.597 -2.278 -6.323
211 2HE LYS 28 HE3 LYS 28 -5.941 -2.230 -7.051
212 1HZ LYS 28 HZ1 LYS 28 -5.096 -3.291 -5.071
213 2HZ LYS 28 HZ2 LYS 28 -6.649 -3.339 -4.386
214 3HZ LYS 28 HZ3 LYS 28 -6.316 -4.223 -5.799
215 H CYS 29 HN CYS 29 -2.435 3.280 -5.454
216 HA CYS 29 HA CYS 29 -2.093 4.732 -2.894
217 1HB CYS 29 HB2 CYS 29 0.092 4.361 -4.054
218 2HB CYS 29 HB3 CYS 29 -0.545 5.124 -5.532
219 H MET 30 HN MET 30 -3.819 5.986 -2.649
220 HA MET 30 HA MET 30 -5.010 7.392 -4.949
221 1HB MET 30 HB2 MET 30 -6.370 6.179 -2.475
222 2HB MET 30 HB3 MET 30 -7.187 7.324 -3.587
223 1HG MET 30 HG2 MET 30 -6.101 4.537 -4.258
224 2HG MET 30 HG3 MET 30 -7.811 5.011 -4.058
225 1HE MET 30 HE3 MET 30 -9.195 6.444 -5.650
226 2HE MET 30 HE1 MET 30 -8.038 7.822 -5.625
227 3HE MET 30 HE2 MET 30 -8.625 7.172 -7.190
228 H ASN 31 HN ASN 31 -4.585 9.680 -4.636
229 HA ASN 31 HA ASN 31 -4.512 11.621 -3.748
230 1HB ASN 31 HB2 ASN 31 -6.364 10.950 -2.187
231 2HB ASN 31 HB3 ASN 31 -5.149 10.551 -0.940
232 1HD2 ASN 31 HD22 ASN 31 -5.825 14.547 -2.067
233 2HD2 ASN 31 HD21 ASN 31 -6.116 13.261 -3.191
234 H GLY 32 HN GLY 32 -3.249 10.105 -0.816
235 1HA GLY 32 HA1 GLY 32 -0.632 9.766 -1.649
236 2HA GLY 32 HA2 GLY 32 -0.792 11.299 -0.669
237 H LYS 33 HN LYS 33 -2.356 8.032 -0.679
238 HA LYS 33 HA LYS 33 -1.229 7.283 1.830
239 1HB LYS 33 HB2 LYS 33 -4.214 7.953 1.732
240 2HB LYS 33 HB3 LYS 33 -3.576 6.659 2.808
241 1HG LYS 33 HG2 LYS 33 -1.901 8.333 3.741
242 2HG LYS 33 HG3 LYS 33 -2.874 9.620 2.954
243 1HD LYS 33 HD2 LYS 33 -4.909 8.884 4.188
244 2HD LYS 33 HD3 LYS 33 -3.978 7.539 4.944
245 1HE LYS 33 HE2 LYS 33 -2.495 9.184 6.111
246 2HE LYS 33 HE3 LYS 33 -3.397 10.556 5.342
247 1HZ LYS 33 HZ3 LYS 33 -5.384 9.795 6.458
248 2HZ LYS 33 HZ1 LYS 33 -4.534 8.513 7.179
249 3HZ LYS 33 HZ2 LYS 33 -4.140 10.119 7.567
250 H CYS 34 HN CYS 34 -1.716 5.069 2.269
251 HA CYS 34 HA CYS 34 -1.654 3.584 -0.239
252 1HB CYS 34 HB2 CYS 34 0.406 3.792 1.087
253 2HB CYS 34 HB3 CYS 34 -0.427 3.226 2.556
254 H LYS 35 HN LYS 35 -2.732 1.647 -0.502
255 HA LYS 35 HA LYS 35 -4.528 0.661 1.622
256 1HB LYS 35 HB2 LYS 35 -4.936 0.861 -1.430
257 2HB LYS 35 HB3 LYS 35 -5.952 -0.154 -0.339
258 1HG LYS 35 HG2 LYS 35 -6.475 1.900 0.990
259 2HG LYS 35 HG3 LYS 35 -5.678 2.915 -0.262
260 1HD LYS 35 HD2 LYS 35 -7.987 0.953 -0.792
261 2HD LYS 35 HD3 LYS 35 -8.228 2.704 -0.425
262 1HE LYS 35 HE2 LYS 35 -6.881 3.288 -2.487
263 2HE LYS 35 HE3 LYS 35 -6.757 1.524 -2.880
264 1HZ LYS 35 HZ3 LYS 35 -9.273 3.077 -2.617
265 2HZ LYS 35 HZ1 LYS 35 -8.532 2.580 -4.063
266 3HZ LYS 35 HZ2 LYS 35 -9.145 1.423 -2.981
267 H CYS 36 HN CYS 36 -4.409 -1.553 1.927
268 HA CYS 36 HA CYS 36 -2.594 -3.109 0.168
269 1HB CYS 36 HB2 CYS 36 -2.923 -3.534 3.195
270 2HB CYS 36 HB3 CYS 36 -1.851 -4.458 1.993
271 H TYR 37 HN TYR 37 -3.632 -4.704 -0.855
272 HA TYR 37 HA TYR 37 -6.036 -5.907 0.310
273 1HB TYR 37 HB2 TYR 37 -5.271 -5.058 -2.568
274 2HB TYR 37 HB3 TYR 37 -6.631 -6.153 -2.201
275 HD1 TYR 37 HD2 TYR 37 -8.337 -5.297 -0.393
276 HD2 TYR 37 HD1 TYR 37 -5.684 -2.669 -2.544
277 HE1 TYR 37 HE2 TYR 37 -9.842 -3.394 0.043
278 HE2 TYR 37 HE1 TYR 37 -7.226 -0.819 -2.225
279 HH TYR 37 HH TYR 37 -10.310 -1.269 -0.357
280 H ASN 38 HN ASN 38 -6.029 -7.930 -1.764
281 HA ASN 38 HA ASN 38 -3.497 -9.386 -1.351
282 1HB ASN 38 HB2 ASN 38 -6.368 -10.405 -0.864
283 2HB ASN 38 HB3 ASN 38 -4.989 -11.522 -1.185
284 1HD2 ASN 38 HD21 ASN 38 -3.384 -11.141 1.949
285 2HD2 ASN 38 HD22 ASN 38 -3.213 -11.634 0.297
286 H ASN 39 HN ASN 39 -2.949 -8.655 -3.494
287 HA ASN 39 HA ASN 39 -4.463 -10.011 -5.661
288 1HB ASN 39 HB2 ASN 39 -2.569 -7.589 -5.793
289 2HB ASN 39 HB3 ASN 39 -3.195 -8.498 -7.218
290 1HD2 ASN 39 HD21 ASN 39 -5.338 -5.498 -6.905
291 2HD2 ASN 39 HD22 ASN 39 -3.681 -5.867 -7.253
292 1H NH2 40 HT1 ASN 39 -3.469 -12.042 -5.519
293 2H NH2 40 HT2 ASN 39 -1.760 -12.287 -5.651
No H/Q in entry = 293
Start of MODEL 16
1 1H THR 1 HN THR 1 -8.558 -3.041 3.868
2 2H THR 1 HN3 THR 1 -7.490 -4.110 3.093
3 3H THR 1 HN2 THR 1 -8.506 -4.675 4.332
4 HA THR 1 HA THR 1 -7.417 -3.291 5.909
5 HB THR 1 HB THR 1 -5.155 -4.454 5.983
6 HG1 THR 1 HG1 THR 1 -4.879 -4.658 3.720
7 1HG2 THR 1 HG21 THR 1 -7.251 -5.405 6.965
8 2HG2 THR 1 HG22 THR 1 -7.633 -6.211 5.397
9 3HG2 THR 1 HG23 THR 1 -6.165 -6.690 6.326
10 H ILE 2 HN ILE 2 -7.454 -1.064 5.515
11 HA ILE 2 HA ILE 2 -5.577 0.060 3.560
12 HB ILE 2 HB ILE 2 -8.134 1.123 4.839
13 1HG1 ILE 2 HG12 ILE 2 -7.444 0.303 1.936
14 2HG1 ILE 2 HG13 ILE 2 -8.423 -0.640 3.094
15 1HG2 ILE 2 HG21 ILE 2 -6.043 2.524 3.040
16 2HG2 ILE 2 HG22 ILE 2 -7.740 3.104 3.216
17 3HG2 ILE 2 HG23 ILE 2 -6.666 3.055 4.635
18 1HD1 ILE 2 HD12 ILE 2 -10.107 1.230 3.220
19 2HD1 ILE 2 HD13 ILE 2 -9.178 2.122 1.955
20 3HD1 ILE 2 HD11 ILE 2 -9.921 0.531 1.569
21 H ILE 3 HN ILE 3 -3.814 0.983 4.265
22 HA ILE 3 HA ILE 3 -3.404 1.447 7.148
23 HB ILE 3 HB ILE 3 -1.060 1.155 6.765
24 1HG1 ILE 3 HG12 ILE 3 -1.883 0.193 3.941
25 2HG1 ILE 3 HG13 ILE 3 -1.026 1.739 4.279
26 1HG2 ILE 3 HG21 ILE 3 -2.688 -0.601 7.565
27 2HG2 ILE 3 HG22 ILE 3 -2.847 -1.195 5.869
28 3HG2 ILE 3 HG23 ILE 3 -1.261 -1.280 6.717
29 1HD1 ILE 3 HD13 ILE 3 0.788 0.472 5.446
30 2HD1 ILE 3 HD11 ILE 3 0.001 -1.079 4.978
31 3HD1 ILE 3 HD12 ILE 3 0.637 0.015 3.697
32 H ASN 4 HN ASN 4 -1.329 3.101 7.305
33 HA ASN 4 HA ASN 4 -2.138 5.600 5.943
34 1HB ASN 4 HB2 ASN 4 -1.410 5.240 8.924
35 2HB ASN 4 HB3 ASN 4 -1.734 6.812 8.095
36 1HD2 ASN 4 HD22 ASN 4 -5.318 6.157 7.709
37 2HD2 ASN 4 HD21 ASN 4 -3.971 6.789 6.822
38 H VAL 5 HN VAL 5 -0.410 4.858 4.460
39 HA VAL 5 HA VAL 5 2.180 5.926 5.341
40 HB VAL 5 HB VAL 5 1.619 3.417 3.678
41 1HG1 VAL 5 HG11 VAL 5 4.158 5.179 3.565
42 2HG1 VAL 5 HG12 VAL 5 4.113 3.449 3.074
43 3HG1 VAL 5 HG13 VAL 5 3.120 4.619 2.182
44 1HG2 VAL 5 HG22 VAL 5 3.495 4.065 6.043
45 2HG2 VAL 5 HG23 VAL 5 1.978 3.087 6.102
46 3HG2 VAL 5 HG21 VAL 5 3.406 2.482 5.192
47 H LYS 6 HN LYS 6 2.668 7.694 4.241
48 HA LYS 6 HA LYS 6 0.847 8.672 2.290
49 1HB LYS 6 HB2 LYS 6 3.502 9.896 3.260
50 2HB LYS 6 HB3 LYS 6 2.192 10.753 2.371
51 1HG LYS 6 HG2 LYS 6 1.975 9.555 5.207
52 2HG LYS 6 HG3 LYS 6 2.294 11.270 4.787
53 1HD LYS 6 HD2 LYS 6 0.068 11.393 3.615
54 2HD LYS 6 HD3 LYS 6 -0.260 9.691 4.090
55 1HE LYS 6 HE2 LYS 6 -1.420 11.250 5.630
56 2HE LYS 6 HE3 LYS 6 -0.137 10.337 6.525
57 1HZ LYS 6 HZ2 LYS 6 0.082 13.105 5.458
58 2HZ LYS 6 HZ3 LYS 6 -0.158 12.659 7.079
59 3HZ LYS 6 HZ1 LYS 6 1.294 12.257 6.294
60 H CYS 7 HN CYS 7 1.216 8.869 0.007
61 HA CYS 7 HA CYS 7 3.721 7.784 -1.089
62 1HB CYS 7 HB2 CYS 7 2.631 6.047 -2.330
63 2HB CYS 7 HB3 CYS 7 2.165 5.902 -0.576
64 H THR 8 HN THR 8 3.685 7.892 -3.499
65 HA THR 8 HA THR 8 1.912 9.751 -4.752
66 HB THR 8 HB THR 8 3.606 11.274 -3.746
67 HG1 THR 8 HG1 THR 8 4.146 12.326 -5.630
68 1HG2 THR 8 HG21 THR 8 5.569 9.691 -3.727
69 2HG2 THR 8 HG22 THR 8 5.694 9.829 -5.521
70 3HG2 THR 8 HG23 THR 8 5.949 11.276 -4.486
71 H SER 9 HN SER 9 2.674 6.844 -4.629
72 HA SER 9 HA SER 9 2.813 6.238 -7.340
73 1HB SER 9 HB2 SER 9 5.013 5.010 -7.419
74 2HB SER 9 HB3 SER 9 5.239 6.772 -7.141
75 HG SER 9 HG SER 9 5.335 4.816 -5.143
76 HA PRO 10 HA PRO 10 1.263 2.621 -5.010
77 1HB PRO 10 HB2 PRO 10 1.712 1.079 -7.606
78 2HB PRO 10 HB3 PRO 10 0.281 1.130 -6.512
79 1HG PRO 10 HG2 PRO 10 0.319 2.541 -8.866
80 2HG PRO 10 HG3 PRO 10 -0.360 3.303 -7.366
81 1HD PRO 10 HD2 PRO 10 2.470 3.637 -8.535
82 2HD PRO 10 HD3 PRO 10 1.286 4.917 -7.994
83 H LYS 11 HN LYS 11 4.447 2.574 -6.614
84 HA LYS 11 HA LYS 11 5.444 0.299 -5.195
85 1HB LYS 11 HB2 LYS 11 6.901 2.449 -6.803
86 2HB LYS 11 HB3 LYS 11 7.635 0.921 -6.192
87 1HG LYS 11 HG2 LYS 11 5.346 1.131 -8.239
88 2HG LYS 11 HG3 LYS 11 7.076 0.793 -8.575
89 1HD LYS 11 HD2 LYS 11 6.919 -1.323 -7.208
90 2HD LYS 11 HD3 LYS 11 5.180 -0.990 -6.913
91 1HE LYS 11 HE2 LYS 11 5.400 -2.648 -8.722
92 2HE LYS 11 HE3 LYS 11 4.727 -1.108 -9.394
93 1HZ LYS 11 HZ2 LYS 11 6.938 -0.553 -10.164
94 2HZ LYS 11 HZ3 LYS 11 7.560 -2.003 -9.536
95 3HZ LYS 11 HZ1 LYS 11 6.418 -2.043 -10.794
96 H GLN 12 HN GLN 12 4.761 3.472 -4.045
97 HA GLN 12 HA GLN 12 6.754 3.418 -1.950
98 1HB GLN 12 HB2 GLN 12 6.314 5.529 -3.081
99 2HB GLN 12 HB3 GLN 12 4.612 5.408 -2.799
100 1HG GLN 12 HG2 GLN 12 5.799 7.063 -1.309
101 2HG GLN 12 HG3 GLN 12 5.039 5.783 -0.308
102 1HE2 GLN 12 HE22 GLN 12 9.216 5.784 -0.833
103 2HE2 GLN 12 HE21 GLN 12 8.183 6.362 -2.099
104 H CYS 13 HN CYS 13 3.828 1.920 -2.699
105 HA CYS 13 HA CYS 13 2.882 1.760 0.074
106 1HB CYS 13 HB2 CYS 13 1.333 2.946 -1.501
107 2HB CYS 13 HB3 CYS 13 1.411 1.590 -2.648
108 H SER 14 HN SER 14 4.392 0.083 -2.617
109 HA SER 14 HA SER 14 3.654 -2.594 -1.777
110 1HB SER 14 HB2 SER 14 5.687 -1.564 -3.865
111 2HB SER 14 HB3 SER 14 5.277 -3.300 -3.584
112 HG SER 14 HG SER 14 4.164 -2.382 -5.291
113 H LYS 15 HN LYS 15 5.678 -0.177 -0.582
114 HA LYS 15 HA LYS 15 7.842 -1.733 0.397
115 1HB LYS 15 HB2 LYS 15 6.849 1.129 0.474
116 2HB LYS 15 HB3 LYS 15 8.041 0.596 1.694
117 1HG LYS 15 HG2 LYS 15 9.610 -0.054 -0.140
118 2HG LYS 15 HG3 LYS 15 8.326 0.315 -1.345
119 1HD LYS 15 HD2 LYS 15 9.846 2.116 -1.434
120 2HD LYS 15 HD3 LYS 15 8.377 2.747 -0.627
121 1HE LYS 15 HE2 LYS 15 10.932 1.830 0.884
122 2HE LYS 15 HE3 LYS 15 10.643 3.525 0.321
123 1HZ LYS 15 HZ3 LYS 15 8.682 3.611 1.677
124 2HZ LYS 15 HZ1 LYS 15 8.927 2.019 2.217
125 3HZ LYS 15 HZ2 LYS 15 10.053 3.231 2.607
126 HA PRO 16 HA PRO 16 5.402 -1.541 4.520
127 1HB PRO 16 HB2 PRO 16 2.840 -0.478 4.644
128 2HB PRO 16 HB3 PRO 16 4.367 0.461 4.892
129 1HG PRO 16 HG2 PRO 16 2.744 -0.031 2.388
130 2HG PRO 16 HG3 PRO 16 3.181 1.595 3.042
131 1HD PRO 16 HD2 PRO 16 4.697 0.508 1.085
132 2HD PRO 16 HD3 PRO 16 5.568 1.207 2.486
133 H CYS 17 HN CYS 17 2.964 -2.078 1.802
134 HA CYS 17 HA CYS 17 1.638 -4.152 3.051
135 1HB CYS 17 HB2 CYS 17 1.697 -3.488 0.068
136 2HB CYS 17 HB3 CYS 17 0.512 -4.562 0.891
137 H LYS 18 HN LYS 18 4.594 -4.316 0.910
138 HA LYS 18 HA LYS 18 4.422 -7.231 0.888
139 1HB LYS 18 HB2 LYS 18 6.509 -5.436 -0.373
140 2HB LYS 18 HB3 LYS 18 6.435 -7.228 -0.482
141 1HG LYS 18 HG2 LYS 18 4.110 -7.064 -1.406
142 2HG LYS 18 HG3 LYS 18 4.277 -5.272 -1.434
143 1HD LYS 18 HD2 LYS 18 6.199 -5.477 -3.021
144 2HD LYS 18 HD3 LYS 18 6.064 -7.273 -2.963
145 1HE LYS 18 HE2 LYS 18 3.757 -7.152 -3.950
146 2HE LYS 18 HE3 LYS 18 3.863 -5.345 -3.990
147 1HZ LYS 18 HZ1 LYS 18 5.645 -7.237 -5.434
148 2HZ LYS 18 HZ2 LYS 18 4.377 -6.327 -6.104
149 3HZ LYS 18 HZ3 LYS 18 5.743 -5.542 -5.470
150 H GLU 19 HN GLU 19 5.617 -4.814 2.992
151 HA GLU 19 HA GLU 19 7.476 -6.591 4.370
152 1HB GLU 19 HB2 GLU 19 7.868 -4.153 4.230
153 2HB GLU 19 HB3 GLU 19 6.399 -3.851 5.207
154 1HG GLU 19 HG2 GLU 19 7.474 -5.053 7.159
155 2HG GLU 19 HG3 GLU 19 8.899 -5.435 6.121
156 H LEU 20 HN LEU 20 4.067 -5.789 4.405
157 HA LEU 20 HA LEU 20 3.437 -7.026 6.948
158 1HB LEU 20 HB2 LEU 20 1.807 -5.723 4.694
159 2HB LEU 20 HB3 LEU 20 0.998 -6.531 6.108
160 HG LEU 20 HG LEU 20 2.752 -4.070 6.171
161 1HD1 LEU 20 HD11 LEU 20 0.501 -3.698 5.241
162 2HD1 LEU 20 HD12 LEU 20 -0.243 -4.423 6.717
163 3HD1 LEU 20 HD13 LEU 20 0.696 -2.887 6.839
164 1HD2 LEU 20 HD22 LEU 20 1.389 -5.531 8.522
165 2HD2 LEU 20 HD23 LEU 20 3.166 -5.332 8.273
166 3HD2 LEU 20 HD21 LEU 20 2.142 -3.894 8.608
167 H TYR 21 HN TYR 21 2.506 -7.559 3.483
168 HA TYR 21 HA TYR 21 1.338 -10.132 4.183
169 1HB TYR 21 HB2 TYR 21 0.726 -8.174 1.901
170 2HB TYR 21 HB3 TYR 21 -0.101 -9.753 2.182
171 HD1 TYR 21 HD2 TYR 21 -1.282 -10.172 4.319
172 HD2 TYR 21 HD1 TYR 21 0.055 -6.210 3.264
173 HE1 TYR 21 HE2 TYR 21 -2.850 -9.200 5.954
174 HE2 TYR 21 HE1 TYR 21 -1.564 -5.253 4.832
175 HH TYR 21 HH TYR 21 -3.126 -5.643 6.395
176 H GLY 22 HN GLY 22 4.244 -9.102 2.869
177 1HA GLY 22 HA1 GLY 22 5.835 -10.556 2.402
178 2HA GLY 22 HA2 GLY 22 4.660 -11.800 1.875
179 H SER 23 HN SER 23 3.655 -11.508 -0.255
180 HA SER 23 HA SER 23 4.956 -9.806 -2.204
181 1HB SER 23 HB2 SER 23 5.015 -12.896 -2.421
182 2HB SER 23 HB3 SER 23 5.394 -11.761 -3.777
183 HG SER 23 HG SER 23 6.748 -11.920 -1.302
184 H SER 24 HN SER 24 2.372 -11.328 -0.713
185 HA SER 24 HA SER 24 0.556 -11.306 -3.015
186 1HB SER 24 HB2 SER 24 0.725 -13.383 -1.612
187 2HB SER 24 HB3 SER 24 0.188 -12.459 -0.174
188 HG SER 24 HG SER 24 -1.223 -12.815 -2.625
189 H ALA 25 HN ALA 25 0.720 -8.843 -3.033
190 HA ALA 25 HA ALA 25 -0.995 -7.558 -1.051
191 1HB ALA 25 HB2 ALA 25 1.891 -6.689 -1.779
192 2HB ALA 25 HB3 ALA 25 0.719 -5.673 -0.882
193 3HB ALA 25 HB1 ALA 25 1.306 -7.217 -0.161
194 H GLY 26 HN GLY 26 -2.499 -6.413 -2.185
195 1HA GLY 26 HA1 GLY 26 -1.919 -5.505 -4.921
196 2HA GLY 26 HA2 GLY 26 -3.497 -5.687 -4.070
197 H ALA 27 HN ALA 27 -0.516 -3.776 -4.332
198 HA ALA 27 HA ALA 27 -1.271 -1.954 -2.222
199 1HB ALA 27 HB1 ALA 27 1.233 -2.254 -3.950
200 2HB ALA 27 HB2 ALA 27 1.033 -1.066 -2.604
201 3HB ALA 27 HB3 ALA 27 0.987 -2.830 -2.265
202 H LYS 28 HN LYS 28 -2.585 -0.203 -2.681
203 HA LYS 28 HA LYS 28 -2.443 1.021 -5.363
204 1HB LYS 28 HB2 LYS 28 -4.790 0.945 -3.358
205 2HB LYS 28 HB3 LYS 28 -4.834 1.604 -5.053
206 1HG LYS 28 HG2 LYS 28 -4.445 -1.311 -4.181
207 2HG LYS 28 HG3 LYS 28 -5.979 -0.556 -4.735
208 1HD LYS 28 HD2 LYS 28 -5.083 -0.232 -7.000
209 2HD LYS 28 HD3 LYS 28 -3.450 -0.775 -6.485
210 1HE LYS 28 HE2 LYS 28 -4.631 -2.592 -7.716
211 2HE LYS 28 HE3 LYS 28 -4.305 -3.068 -6.000
212 1HZ LYS 28 HZ2 LYS 28 -6.573 -2.488 -5.467
213 2HZ LYS 28 HZ3 LYS 28 -6.882 -2.049 -7.079
214 3HZ LYS 28 HZ1 LYS 28 -6.507 -3.660 -6.695
215 H CYS 29 HN CYS 29 -2.450 3.207 -5.421
216 HA CYS 29 HA CYS 29 -2.090 4.699 -2.881
217 1HB CYS 29 HB2 CYS 29 0.126 4.368 -3.993
218 2HB CYS 29 HB3 CYS 29 -0.499 5.099 -5.494
219 H MET 30 HN MET 30 -3.854 5.892 -2.683
220 HA MET 30 HA MET 30 -5.025 7.264 -5.012
221 1HB MET 30 HB2 MET 30 -6.437 6.095 -2.542
222 2HB MET 30 HB3 MET 30 -7.234 7.144 -3.765
223 1HG MET 30 HG2 MET 30 -6.021 4.367 -4.227
224 2HG MET 30 HG3 MET 30 -7.754 4.783 -4.101
225 1HE MET 30 HE3 MET 30 -8.026 3.293 -6.171
226 2HE MET 30 HE1 MET 30 -7.204 3.536 -7.751
227 3HE MET 30 HE2 MET 30 -6.249 3.059 -6.307
228 H ASN 31 HN ASN 31 -4.658 9.566 -4.695
229 HA ASN 31 HA ASN 31 -4.593 11.515 -3.812
230 1HB ASN 31 HB2 ASN 31 -5.323 10.407 -1.045
231 2HB ASN 31 HB3 ASN 31 -5.240 12.142 -1.513
232 1HD2 ASN 31 HD22 ASN 31 -8.187 12.008 -3.659
233 2HD2 ASN 31 HD21 ASN 31 -6.596 12.690 -3.596
234 H GLY 32 HN GLY 32 -3.398 9.982 -0.861
235 1HA GLY 32 HA1 GLY 32 -0.767 9.676 -1.627
236 2HA GLY 32 HA2 GLY 32 -0.953 11.219 -0.668
237 H LYS 33 HN LYS 33 -2.477 7.928 -0.656
238 HA LYS 33 HA LYS 33 -1.337 7.245 1.882
239 1HB LYS 33 HB2 LYS 33 -4.345 7.787 1.714
240 2HB LYS 33 HB3 LYS 33 -3.694 6.517 2.810
241 1HG LYS 33 HG2 LYS 33 -2.086 8.263 3.763
242 2HG LYS 33 HG3 LYS 33 -3.071 9.506 2.927
243 1HD LYS 33 HD2 LYS 33 -5.127 8.726 4.109
244 2HD LYS 33 HD3 LYS 33 -4.168 7.453 4.950
245 1HE LYS 33 HE2 LYS 33 -2.800 9.210 6.100
246 2HE LYS 33 HE3 LYS 33 -3.719 10.508 5.230
247 1HZ LYS 33 HZ2 LYS 33 -5.722 9.728 6.301
248 2HZ LYS 33 HZ3 LYS 33 -4.859 8.514 7.118
249 3HZ LYS 33 HZ1 LYS 33 -4.536 10.150 7.443
250 H CYS 34 HN CYS 34 -1.665 5.033 2.326
251 HA CYS 34 HA CYS 34 -1.565 3.505 -0.153
252 1HB CYS 34 HB2 CYS 34 0.503 3.780 1.137
253 2HB CYS 34 HB3 CYS 34 -0.302 3.239 2.631
254 H LYS 35 HN LYS 35 -2.638 1.634 -0.427
255 HA LYS 35 HA LYS 35 -4.366 0.556 1.717
256 1HB LYS 35 HB2 LYS 35 -4.881 0.713 -1.321
257 2HB LYS 35 HB3 LYS 35 -5.866 -0.203 -0.125
258 1HG LYS 35 HG2 LYS 35 -6.266 1.938 1.102
259 2HG LYS 35 HG3 LYS 35 -5.479 2.856 -0.225
260 1HD LYS 35 HD2 LYS 35 -7.944 1.023 -0.560
261 2HD LYS 35 HD3 LYS 35 -8.025 2.793 -0.244
262 1HE LYS 35 HE2 LYS 35 -6.764 3.246 -2.369
263 2HE LYS 35 HE3 LYS 35 -6.754 1.475 -2.737
264 1HZ LYS 35 HZ1 LYS 35 -9.169 3.165 -2.384
265 2HZ LYS 35 HZ2 LYS 35 -8.523 2.612 -3.854
266 3HZ LYS 35 HZ3 LYS 35 -9.146 1.502 -2.731
267 H CYS 36 HN CYS 36 -4.348 -1.660 1.912
268 HA CYS 36 HA CYS 36 -2.647 -3.263 0.079
269 1HB CYS 36 HB2 CYS 36 -3.211 -4.049 2.983
270 2HB CYS 36 HB3 CYS 36 -2.061 -4.802 1.749
271 H TYR 37 HN TYR 37 -3.776 -4.974 -0.911
272 HA TYR 37 HA TYR 37 -6.632 -5.283 -0.204
273 1HB TYR 37 HB2 TYR 37 -5.158 -4.961 -2.848
274 2HB TYR 37 HB3 TYR 37 -6.547 -6.058 -2.824
275 HD1 TYR 37 HD2 TYR 37 -5.502 -2.522 -2.011
276 HD2 TYR 37 HD1 TYR 37 -8.766 -5.236 -2.714
277 HE1 TYR 37 HE2 TYR 37 -7.056 -0.634 -2.043
278 HE2 TYR 37 HE1 TYR 37 -10.334 -3.334 -2.751
279 HH TYR 37 HH TYR 37 -10.587 -1.105 -2.563
280 H ASN 38 HN ASN 38 -3.543 -6.763 -0.826
281 HA ASN 38 HA ASN 38 -2.674 -8.691 -0.222
282 1HB ASN 38 HB2 ASN 38 -5.389 -9.634 0.762
283 2HB ASN 38 HB3 ASN 38 -3.793 -10.431 1.071
284 1HD2 ASN 38 HD21 ASN 38 -4.781 -8.352 4.059
285 2HD2 ASN 38 HD22 ASN 38 -5.510 -9.645 3.165
286 H ASN 39 HN ASN 39 -3.352 -8.163 -2.842
287 HA ASN 39 HA ASN 39 -4.633 -10.447 -4.054
288 1HB ASN 39 HB2 ASN 39 -3.279 -7.992 -5.301
289 2HB ASN 39 HB3 ASN 39 -4.176 -9.267 -6.210
290 1HD2 ASN 39 HD21 ASN 39 -6.416 -6.275 -5.514
291 2HD2 ASN 39 HD22 ASN 39 -4.844 -6.463 -6.217
292 1H NH2 40 HT1 ASN 39 -0.630 -10.405 -5.198
293 2H NH2 40 HT2 ASN 39 -1.510 -8.919 -5.118
No H/Q in entry = 293
Start of MODEL 17
1 1H THR 1 HN2 THR 1 -9.868 -1.916 4.419
2 2H THR 1 HN THR 1 -9.713 -2.897 3.041
3 3H THR 1 HN3 THR 1 -10.112 -3.594 4.538
4 HA THR 1 HA THR 1 -8.024 -2.957 5.439
5 HB THR 1 HB THR 1 -6.509 -4.494 4.095
6 HG1 THR 1 HG1 THR 1 -8.848 -4.717 2.497
7 1HG2 THR 1 HG22 THR 1 -8.020 -5.260 5.934
8 2HG2 THR 1 HG23 THR 1 -9.358 -5.504 4.748
9 3HG2 THR 1 HG21 THR 1 -7.857 -6.497 4.635
10 H ILE 2 HN ILE 2 -7.796 -0.689 5.384
11 HA ILE 2 HA ILE 2 -6.111 0.415 3.252
12 HB ILE 2 HB ILE 2 -8.367 1.753 4.863
13 1HG1 ILE 2 HG12 ILE 2 -8.212 0.894 1.909
14 2HG1 ILE 2 HG13 ILE 2 -9.317 0.286 3.170
15 1HG2 ILE 2 HG21 ILE 2 -6.347 2.880 2.807
16 2HG2 ILE 2 HG22 ILE 2 -7.813 3.760 3.379
17 3HG2 ILE 2 HG23 ILE 2 -6.526 3.344 4.533
18 1HD1 ILE 2 HD12 ILE 2 -10.359 2.585 3.362
19 2HD1 ILE 2 HD13 ILE 2 -9.344 3.121 1.966
20 3HD1 ILE 2 HD11 ILE 2 -10.555 1.812 1.745
21 H ILE 3 HN ILE 3 -4.186 1.139 4.063
22 HA ILE 3 HA ILE 3 -3.834 1.411 6.987
23 HB ILE 3 HB ILE 3 -1.539 1.045 6.775
24 1HG1 ILE 3 HG12 ILE 3 -1.994 0.295 3.817
25 2HG1 ILE 3 HG13 ILE 3 -1.251 1.843 4.343
26 1HG2 ILE 3 HG21 ILE 3 -3.239 -0.762 7.226
27 2HG2 ILE 3 HG22 ILE 3 -3.213 -1.196 5.474
28 3HG2 ILE 3 HG23 ILE 3 -1.729 -1.372 6.474
29 1HD1 ILE 3 HD11 ILE 3 0.466 0.593 5.658
30 2HD1 ILE 3 HD12 ILE 3 -0.164 -0.963 4.998
31 3HD1 ILE 3 HD13 ILE 3 0.549 0.247 3.878
32 H ASN 4 HN ASN 4 -1.631 3.036 7.126
33 HA ASN 4 HA ASN 4 -2.286 5.502 5.648
34 1HB ASN 4 HB2 ASN 4 -1.880 5.261 8.702
35 2HB ASN 4 HB3 ASN 4 -1.896 6.819 7.788
36 1HD2 ASN 4 HD21 ASN 4 -5.448 6.687 7.010
37 2HD2 ASN 4 HD22 ASN 4 -3.924 7.105 6.301
38 H VAL 5 HN VAL 5 -0.544 4.909 4.300
39 HA VAL 5 HA VAL 5 2.010 5.834 5.372
40 HB VAL 5 HB VAL 5 1.534 3.359 3.626
41 1HG1 VAL 5 HG11 VAL 5 4.098 5.085 3.719
42 2HG1 VAL 5 HG12 VAL 5 4.058 3.369 3.183
43 3HG1 VAL 5 HG13 VAL 5 3.141 4.579 2.259
44 1HG2 VAL 5 HG21 VAL 5 3.263 3.923 6.120
45 2HG2 VAL 5 HG22 VAL 5 1.741 2.953 6.052
46 3HG2 VAL 5 HG23 VAL 5 3.219 2.366 5.218
47 H LYS 6 HN LYS 6 2.689 7.553 4.263
48 HA LYS 6 HA LYS 6 0.984 8.672 2.284
49 1HB LYS 6 HB2 LYS 6 3.698 9.619 3.378
50 2HB LYS 6 HB3 LYS 6 2.609 10.610 2.357
51 1HG LYS 6 HG2 LYS 6 1.931 9.489 5.144
52 2HG LYS 6 HG3 LYS 6 2.559 11.134 4.827
53 1HD LYS 6 HD2 LYS 6 -0.114 10.125 3.653
54 2HD LYS 6 HD3 LYS 6 0.064 10.874 5.267
55 1HE LYS 6 HE2 LYS 6 -0.655 12.643 3.831
56 2HE LYS 6 HE3 LYS 6 1.091 12.947 4.174
57 1HZ LYS 6 HZ3 LYS 6 -0.043 11.717 1.714
58 2HZ LYS 6 HZ1 LYS 6 0.534 13.305 1.882
59 3HZ LYS 6 HZ2 LYS 6 1.605 11.993 2.021
60 H CYS 7 HN CYS 7 1.424 8.902 0.020
61 HA CYS 7 HA CYS 7 3.848 7.696 -1.100
62 1HB CYS 7 HB2 CYS 7 2.713 6.019 -2.370
63 2HB CYS 7 HB3 CYS 7 2.246 5.850 -0.618
64 H THR 8 HN THR 8 3.719 7.875 -3.566
65 HA THR 8 HA THR 8 1.838 9.664 -4.691
66 HB THR 8 HB THR 8 3.423 11.340 -3.778
67 HG1 THR 8 HG1 THR 8 3.498 11.109 -6.583
68 1HG2 THR 8 HG22 THR 8 5.524 9.982 -3.800
69 2HG2 THR 8 HG23 THR 8 5.564 10.045 -5.602
70 3HG2 THR 8 HG21 THR 8 5.722 11.554 -4.641
71 H SER 9 HN SER 9 2.625 6.857 -4.655
72 HA SER 9 HA SER 9 2.742 6.268 -7.361
73 1HB SER 9 HB2 SER 9 4.944 5.065 -7.508
74 2HB SER 9 HB3 SER 9 5.175 6.820 -7.183
75 HG SER 9 HG SER 9 5.476 6.360 -5.031
76 HA PRO 10 HA PRO 10 1.204 2.654 -5.017
77 1HB PRO 10 HB2 PRO 10 1.668 1.146 -7.642
78 2HB PRO 10 HB3 PRO 10 0.257 1.120 -6.518
79 1HG PRO 10 HG2 PRO 10 0.191 2.587 -8.836
80 2HG PRO 10 HG3 PRO 10 -0.449 3.316 -7.303
81 1HD PRO 10 HD2 PRO 10 2.339 3.704 -8.556
82 2HD PRO 10 HD3 PRO 10 1.160 4.961 -7.953
83 H LYS 11 HN LYS 11 4.363 2.576 -6.662
84 HA LYS 11 HA LYS 11 5.381 0.294 -5.317
85 1HB LYS 11 HB2 LYS 11 6.069 1.096 -7.580
86 2HB LYS 11 HB3 LYS 11 6.822 2.531 -6.841
87 1HG LYS 11 HG2 LYS 11 8.462 0.782 -7.493
88 2HG LYS 11 HG3 LYS 11 8.521 1.143 -5.745
89 1HD LYS 11 HD2 LYS 11 8.845 -1.194 -6.051
90 2HD LYS 11 HD3 LYS 11 7.258 -0.990 -5.258
91 1HE LYS 11 HE2 LYS 11 7.623 -1.467 -8.308
92 2HE LYS 11 HE3 LYS 11 7.429 -2.796 -7.096
93 1HZ LYS 11 HZ1 LYS 11 5.302 -1.898 -6.492
94 2HZ LYS 11 HZ2 LYS 11 5.462 -0.637 -7.620
95 3HZ LYS 11 HZ3 LYS 11 5.371 -2.247 -8.153
96 H GLN 12 HN GLN 12 4.775 3.511 -4.117
97 HA GLN 12 HA GLN 12 6.784 3.390 -2.033
98 1HB GLN 12 HB2 GLN 12 6.379 5.472 -3.250
99 2HB GLN 12 HB3 GLN 12 4.712 5.488 -2.798
100 1HG GLN 12 HG2 GLN 12 5.398 5.877 -0.380
101 2HG GLN 12 HG3 GLN 12 7.114 5.507 -0.805
102 1HE2 GLN 12 HE22 GLN 12 6.889 9.204 -0.586
103 2HE2 GLN 12 HE21 GLN 12 6.766 7.839 0.474
104 H CYS 13 HN CYS 13 3.873 1.933 -2.720
105 HA CYS 13 HA CYS 13 2.929 1.825 0.060
106 1HB CYS 13 HB2 CYS 13 1.358 3.036 -1.472
107 2HB CYS 13 HB3 CYS 13 1.438 1.715 -2.656
108 H SER 14 HN SER 14 4.417 0.088 -2.647
109 HA SER 14 HA SER 14 3.533 -2.531 -1.834
110 1HB SER 14 HB2 SER 14 5.698 -1.584 -3.813
111 2HB SER 14 HB3 SER 14 5.196 -3.303 -3.579
112 HG SER 14 HG SER 14 3.106 -2.672 -4.166
113 H LYS 15 HN LYS 15 5.663 -0.307 -0.449
114 HA LYS 15 HA LYS 15 7.636 -2.115 0.557
115 1HB LYS 15 HB2 LYS 15 7.109 0.820 0.507
116 2HB LYS 15 HB3 LYS 15 7.869 0.229 2.003
117 1HG LYS 15 HG2 LYS 15 9.625 0.910 0.546
118 2HG LYS 15 HG3 LYS 15 9.679 -0.886 0.615
119 1HD LYS 15 HD2 LYS 15 8.514 -0.992 -1.611
120 2HD LYS 15 HD3 LYS 15 8.406 0.807 -1.620
121 1HE LYS 15 HE2 LYS 15 10.917 0.963 -1.673
122 2HE LYS 15 HE3 LYS 15 11.026 -0.846 -1.663
123 1HZ LYS 15 HZ3 LYS 15 9.699 0.820 -3.738
124 2HZ LYS 15 HZ1 LYS 15 11.215 0.064 -3.863
125 3HZ LYS 15 HZ2 LYS 15 9.805 -0.875 -3.729
126 HA PRO 16 HA PRO 16 5.070 -1.760 4.598
127 1HB PRO 16 HB2 PRO 16 2.588 -0.530 4.633
128 2HB PRO 16 HB3 PRO 16 4.160 0.314 4.934
129 1HG PRO 16 HG2 PRO 16 2.605 -0.085 2.370
130 2HG PRO 16 HG3 PRO 16 3.104 1.516 3.046
131 1HD PRO 16 HD2 PRO 16 4.630 0.364 1.151
132 2HD PRO 16 HD3 PRO 16 5.468 1.016 2.603
133 H CYS 17 HN CYS 17 2.831 -2.124 1.720
134 HA CYS 17 HA CYS 17 1.224 -4.064 2.795
135 1HB CYS 17 HB2 CYS 17 1.735 -3.522 -0.187
136 2HB CYS 17 HB3 CYS 17 0.351 -4.441 0.508
137 H LYS 18 HN LYS 18 4.330 -4.443 0.913
138 HA LYS 18 HA LYS 18 4.026 -7.343 0.839
139 1HB LYS 18 HB2 LYS 18 6.205 -5.530 -0.248
140 2HB LYS 18 HB3 LYS 18 6.210 -7.328 -0.358
141 1HG LYS 18 HG2 LYS 18 3.969 -7.267 -1.442
142 2HG LYS 18 HG3 LYS 18 4.035 -5.468 -1.444
143 1HD LYS 18 HD2 LYS 18 5.988 -5.509 -2.972
144 2HD LYS 18 HD3 LYS 18 6.106 -7.297 -2.824
145 1HE LYS 18 HE2 LYS 18 5.043 -6.649 -4.993
146 2HE LYS 18 HE3 LYS 18 3.894 -7.582 -3.951
147 1HZ LYS 18 HZ2 LYS 18 3.969 -4.626 -4.262
148 2HZ LYS 18 HZ3 LYS 18 2.858 -5.693 -4.980
149 3HZ LYS 18 HZ1 LYS 18 2.888 -5.508 -3.292
150 H GLU 19 HN GLU 19 5.091 -5.047 3.086
151 HA GLU 19 HA GLU 19 6.732 -6.940 4.598
152 1HB GLU 19 HB2 GLU 19 7.230 -4.497 4.519
153 2HB GLU 19 HB3 GLU 19 5.728 -4.170 5.434
154 1HG GLU 19 HG2 GLU 19 6.646 -5.527 7.371
155 2HG GLU 19 HG3 GLU 19 8.132 -5.868 6.409
156 H LEU 20 HN LEU 20 3.382 -6.049 4.230
157 HA LEU 20 HA LEU 20 2.453 -7.213 6.735
158 1HB LEU 20 HB2 LEU 20 1.144 -5.703 4.409
159 2HB LEU 20 HB3 LEU 20 0.137 -6.500 5.695
160 HG LEU 20 HG LEU 20 2.070 -4.190 6.047
161 1HD1 LEU 20 HD13 LEU 20 -0.063 -3.623 4.945
162 2HD1 LEU 20 HD11 LEU 20 -0.984 -4.357 6.309
163 3HD1 LEU 20 HD12 LEU 20 0.040 -2.898 6.593
164 1HD2 LEU 20 HD23 LEU 20 0.399 -5.653 8.191
165 2HD2 LEU 20 HD21 LEU 20 2.201 -5.571 8.110
166 3HD2 LEU 20 HD22 LEU 20 1.248 -4.081 8.425
167 H TYR 21 HN TYR 21 1.549 -7.542 3.260
168 HA TYR 21 HA TYR 21 0.272 -10.085 3.745
169 1HB TYR 21 HB2 TYR 21 0.132 -8.065 1.432
170 2HB TYR 21 HB3 TYR 21 -0.764 -9.629 1.448
171 HD1 TYR 21 HD2 TYR 21 -0.524 -6.265 3.102
172 HD2 TYR 21 HD1 TYR 21 -2.582 -10.040 2.922
173 HE1 TYR 21 HE2 TYR 21 -2.375 -5.327 4.423
174 HE2 TYR 21 HE1 TYR 21 -4.459 -9.081 4.201
175 HH TYR 21 HH TYR 21 -4.399 -5.664 5.325
176 H GLY 22 HN GLY 22 3.322 -9.011 2.525
177 1HA GLY 22 HA1 GLY 22 4.986 -10.473 2.377
178 2HA GLY 22 HA2 GLY 22 3.898 -11.791 1.844
179 H SER 23 HN SER 23 2.982 -11.561 -0.382
180 HA SER 23 HA SER 23 4.608 -10.140 -2.330
181 1HB SER 23 HB2 SER 23 4.385 -13.230 -2.280
182 2HB SER 23 HB3 SER 23 5.013 -12.260 -3.672
183 HG SER 23 HG SER 23 6.613 -11.477 -2.275
184 H SER 24 HN SER 24 1.753 -11.523 -1.056
185 HA SER 24 HA SER 24 0.210 -11.234 -3.543
186 1HB SER 24 HB2 SER 24 0.079 -13.434 -2.315
187 2HB SER 24 HB3 SER 24 -0.576 -12.583 -0.880
188 HG SER 24 HG SER 24 -2.288 -11.883 -2.269
189 H ALA 25 HN ALA 25 0.762 -8.828 -3.177
190 HA ALA 25 HA ALA 25 -1.029 -7.532 -1.228
191 1HB ALA 25 HB2 ALA 25 1.814 -6.737 -2.149
192 2HB ALA 25 HB3 ALA 25 0.740 -5.695 -1.164
193 3HB ALA 25 HB1 ALA 25 1.331 -7.261 -0.501
194 H GLY 26 HN GLY 26 -2.556 -6.337 -2.234
195 1HA GLY 26 HA1 GLY 26 -2.130 -5.351 -4.975
196 2HA GLY 26 HA2 GLY 26 -3.661 -5.541 -4.036
197 H ALA 27 HN ALA 27 -0.641 -3.689 -4.363
198 HA ALA 27 HA ALA 27 -1.365 -1.858 -2.240
199 1HB ALA 27 HB2 ALA 27 1.158 -2.153 -3.987
200 2HB ALA 27 HB3 ALA 27 0.970 -0.985 -2.624
201 3HB ALA 27 HB1 ALA 27 0.938 -2.752 -2.312
202 H LYS 28 HN LYS 28 -2.583 -0.076 -2.702
203 HA LYS 28 HA LYS 28 -2.476 1.113 -5.410
204 1HB LYS 28 HB2 LYS 28 -4.799 0.958 -3.398
205 2HB LYS 28 HB3 LYS 28 -4.897 1.676 -5.061
206 1HG LYS 28 HG2 LYS 28 -4.474 -1.278 -4.322
207 2HG LYS 28 HG3 LYS 28 -6.006 -0.506 -4.846
208 1HD LYS 28 HD2 LYS 28 -4.938 0.104 -7.046
209 2HD LYS 28 HD3 LYS 28 -3.458 -0.795 -6.566
210 1HE LYS 28 HE2 LYS 28 -6.294 -2.013 -6.870
211 2HE LYS 28 HE3 LYS 28 -4.935 -2.167 -8.058
212 1HZ LYS 28 HZ1 LYS 28 -4.929 -3.153 -5.254
213 2HZ LYS 28 HZ2 LYS 28 -5.138 -4.089 -6.656
214 3HZ LYS 28 HZ3 LYS 28 -3.659 -3.300 -6.372
215 H CYS 29 HN CYS 29 -2.485 3.350 -5.466
216 HA CYS 29 HA CYS 29 -2.150 4.805 -2.914
217 1HB CYS 29 HB2 CYS 29 0.084 4.407 -3.977
218 2HB CYS 29 HB3 CYS 29 -0.484 5.165 -5.485
219 H MET 30 HN MET 30 -3.925 6.033 -2.781
220 HA MET 30 HA MET 30 -4.818 7.632 -5.079
221 1HB MET 30 HB2 MET 30 -6.563 6.108 -3.053
222 2HB MET 30 HB3 MET 30 -7.217 7.387 -4.117
223 1HG MET 30 HG2 MET 30 -6.486 6.096 -6.131
224 2HG MET 30 HG3 MET 30 -5.929 4.776 -5.060
225 1HE MET 30 HE3 MET 30 -7.672 4.085 -7.354
226 2HE MET 30 HE1 MET 30 -7.196 2.935 -6.056
227 3HE MET 30 HE2 MET 30 -8.905 3.010 -6.608
228 H ASN 31 HN ASN 31 -4.710 9.914 -4.378
229 HA ASN 31 HA ASN 31 -4.929 11.666 -3.171
230 1HB ASN 31 HB2 ASN 31 -5.703 10.051 -0.688
231 2HB ASN 31 HB3 ASN 31 -5.840 11.830 -0.900
232 1HD2 ASN 31 HD22 ASN 31 -8.903 9.506 -2.091
233 2HD2 ASN 31 HD21 ASN 31 -7.634 9.005 -1.023
234 H GLY 32 HN GLY 32 -2.626 9.297 -2.455
235 1HA GLY 32 HA1 GLY 32 -0.515 9.541 -1.907
236 2HA GLY 32 HA2 GLY 32 -0.826 11.097 -1.049
237 H LYS 33 HN LYS 33 -2.454 7.847 -0.813
238 HA LYS 33 HA LYS 33 -1.332 7.285 1.775
239 1HB LYS 33 HB2 LYS 33 -4.362 7.743 1.490
240 2HB LYS 33 HB3 LYS 33 -3.614 6.744 2.783
241 1HG LYS 33 HG2 LYS 33 -3.599 8.610 4.008
242 2HG LYS 33 HG3 LYS 33 -2.112 9.014 3.072
243 1HD LYS 33 HD2 LYS 33 -3.637 10.280 1.423
244 2HD LYS 33 HD3 LYS 33 -5.029 9.907 2.493
245 1HE LYS 33 HE2 LYS 33 -3.957 11.213 4.358
246 2HE LYS 33 HE3 LYS 33 -2.526 11.546 3.297
247 1HZ LYS 33 HZ3 LYS 33 -3.986 12.689 1.776
248 2HZ LYS 33 HZ1 LYS 33 -5.330 12.380 2.768
249 3HZ LYS 33 HZ2 LYS 33 -4.068 13.368 3.331
250 H CYS 34 HN CYS 34 -1.712 5.076 2.280
251 HA CYS 34 HA CYS 34 -1.615 3.511 -0.177
252 1HB CYS 34 HB2 CYS 34 0.428 3.803 1.163
253 2HB CYS 34 HB3 CYS 34 -0.405 3.229 2.630
254 H LYS 35 HN LYS 35 -2.795 1.721 -0.494
255 HA LYS 35 HA LYS 35 -4.530 0.640 1.650
256 1HB LYS 35 HB2 LYS 35 -4.934 0.873 -1.390
257 2HB LYS 35 HB3 LYS 35 -5.945 -0.167 -0.328
258 1HG LYS 35 HG2 LYS 35 -6.576 1.805 1.012
259 2HG LYS 35 HG3 LYS 35 -5.651 2.890 -0.065
260 1HD LYS 35 HD2 LYS 35 -8.006 1.083 -0.900
261 2HD LYS 35 HD3 LYS 35 -8.136 2.845 -0.522
262 1HE LYS 35 HE2 LYS 35 -6.765 1.486 -2.921
263 2HE LYS 35 HE3 LYS 35 -8.113 2.682 -2.930
264 1HZ LYS 35 HZ1 LYS 35 -6.569 4.331 -2.089
265 2HZ LYS 35 HZ2 LYS 35 -5.305 3.197 -2.089
266 3HZ LYS 35 HZ3 LYS 35 -6.028 3.665 -3.553
267 H CYS 36 HN CYS 36 -4.384 -1.573 1.943
268 HA CYS 36 HA CYS 36 -2.530 -3.086 0.190
269 1HB CYS 36 HB2 CYS 36 -2.806 -3.416 3.239
270 2HB CYS 36 HB3 CYS 36 -1.729 -4.366 2.057
271 H TYR 37 HN TYR 37 -3.737 -4.452 -0.942
272 HA TYR 37 HA TYR 37 -6.015 -5.830 0.276
273 1HB TYR 37 HB2 TYR 37 -5.278 -4.981 -2.611
274 2HB TYR 37 HB3 TYR 37 -6.640 -6.067 -2.221
275 HD1 TYR 37 HD1 TYR 37 -8.297 -5.203 -0.379
276 HD2 TYR 37 HD2 TYR 37 -5.717 -2.586 -2.638
277 HE1 TYR 37 HE1 TYR 37 -9.806 -3.308 0.068
278 HE2 TYR 37 HE2 TYR 37 -7.271 -0.745 -2.299
279 HH TYR 37 HH TYR 37 -10.286 -1.182 -0.333
280 H ASN 38 HN ASN 38 -5.950 -7.785 -1.919
281 HA ASN 38 HA ASN 38 -3.416 -9.232 -1.516
282 1HB ASN 38 HB2 ASN 38 -6.276 -10.347 -1.133
283 2HB ASN 38 HB3 ASN 38 -4.839 -11.395 -1.440
284 1HD2 ASN 38 HD22 ASN 38 -5.469 -9.827 2.307
285 2HD2 ASN 38 HD21 ASN 38 -6.532 -9.467 0.987
286 H ASN 39 HN ASN 39 -2.637 -8.954 -3.565
287 HA ASN 39 HA ASN 39 -4.116 -10.259 -5.720
288 1HB ASN 39 HB2 ASN 39 -2.833 -7.457 -5.949
289 2HB ASN 39 HB3 ASN 39 -3.240 -8.503 -7.357
290 1HD2 ASN 39 HD22 ASN 39 -6.843 -8.193 -6.973
291 2HD2 ASN 39 HD21 ASN 39 -5.613 -9.347 -7.369
292 1H NH2 40 HT1 ASN 39 -1.000 -11.886 -5.844
293 2H NH2 40 HT2 ASN 39 -2.718 -12.008 -5.670
No H/Q in entry = 293
Start of MODEL 18
1 1H THR 1 HN THR 1 -9.266 -2.877 2.887
2 2H THR 1 HN3 THR 1 -7.936 -3.857 2.486
3 3H THR 1 HN2 THR 1 -9.046 -4.372 3.665
4 HA THR 1 HA THR 1 -8.445 -2.552 5.073
5 HB THR 1 HB THR 1 -6.030 -4.231 4.143
6 HG1 THR 1 HG1 THR 1 -7.936 -4.611 6.197
7 1HG2 THR 1 HG21 THR 1 -6.518 -2.706 6.800
8 2HG2 THR 1 HG22 THR 1 -5.196 -3.896 6.510
9 3HG2 THR 1 HG23 THR 1 -5.220 -2.357 5.597
10 H ILE 2 HN ILE 2 -7.690 -0.467 5.258
11 HA ILE 2 HA ILE 2 -6.027 0.675 3.124
12 HB ILE 2 HB ILE 2 -8.457 1.889 4.552
13 1HG1 ILE 2 HG12 ILE 2 -8.815 2.303 1.855
14 2HG1 ILE 2 HG13 ILE 2 -7.968 0.730 1.787
15 1HG2 ILE 2 HG21 ILE 2 -6.327 3.165 2.714
16 2HG2 ILE 2 HG22 ILE 2 -7.913 3.920 3.123
17 3HG2 ILE 2 HG23 ILE 2 -6.714 3.616 4.418
18 1HD1 ILE 2 HD11 ILE 2 -10.570 1.358 3.339
19 2HD1 ILE 2 HD12 ILE 2 -10.419 0.448 1.787
20 3HD1 ILE 2 HD13 ILE 2 -9.752 -0.249 3.309
21 H ILE 3 HN ILE 3 -4.109 1.247 3.968
22 HA ILE 3 HA ILE 3 -3.789 1.524 6.878
23 HB ILE 3 HB ILE 3 -1.499 1.079 6.645
24 1HG1 ILE 3 HG12 ILE 3 -2.006 0.364 3.690
25 2HG1 ILE 3 HG13 ILE 3 -1.243 1.909 4.197
26 1HG2 ILE 3 HG23 ILE 3 -3.272 -0.663 7.079
27 2HG2 ILE 3 HG21 ILE 3 -3.288 -1.055 5.317
28 3HG2 ILE 3 HG22 ILE 3 -1.801 -1.324 6.290
29 1HD1 ILE 3 HD11 ILE 3 0.500 0.683 5.466
30 2HD1 ILE 3 HD12 ILE 3 -0.176 -0.893 4.913
31 3HD1 ILE 3 HD13 ILE 3 0.516 0.239 3.705
32 H ASN 4 HN ASN 4 -1.662 3.031 7.257
33 HA ASN 4 HA ASN 4 -2.269 5.662 6.043
34 1HB ASN 4 HB2 ASN 4 -1.582 5.040 8.989
35 2HB ASN 4 HB3 ASN 4 -1.839 6.683 8.280
36 1HD2 ASN 4 HD22 ASN 4 -5.445 6.211 7.853
37 2HD2 ASN 4 HD21 ASN 4 -4.071 6.864 7.025
38 H VAL 5 HN VAL 5 -0.540 4.812 4.537
39 HA VAL 5 HA VAL 5 2.067 5.791 5.460
40 HB VAL 5 HB VAL 5 1.475 3.276 3.804
41 1HG1 VAL 5 HG13 VAL 5 4.030 5.014 3.752
42 2HG1 VAL 5 HG11 VAL 5 4.046 3.260 3.377
43 3HG1 VAL 5 HG12 VAL 5 3.075 4.345 2.352
44 1HG2 VAL 5 HG23 VAL 5 3.276 3.877 6.242
45 2HG2 VAL 5 HG21 VAL 5 1.728 2.946 6.244
46 3HG2 VAL 5 HG22 VAL 5 3.169 2.293 5.393
47 H LYS 6 HN LYS 6 2.777 7.417 4.203
48 HA LYS 6 HA LYS 6 0.913 8.459 2.294
49 1HB LYS 6 HB2 LYS 6 3.500 9.571 3.495
50 2HB LYS 6 HB3 LYS 6 2.571 10.438 2.227
51 1HG LYS 6 HG2 LYS 6 2.069 11.404 4.331
52 2HG LYS 6 HG3 LYS 6 0.602 10.635 3.651
53 1HD LYS 6 HD2 LYS 6 0.793 8.755 5.236
54 2HD LYS 6 HD3 LYS 6 2.341 9.408 5.882
55 1HE LYS 6 HE2 LYS 6 -0.424 10.811 6.028
56 2HE LYS 6 HE3 LYS 6 0.356 9.884 7.373
57 1HZ LYS 6 HZ1 LYS 6 1.447 12.321 6.068
58 2HZ LYS 6 HZ2 LYS 6 0.688 12.236 7.586
59 3HZ LYS 6 HZ3 LYS 6 2.171 11.449 7.333
60 H CYS 7 HN CYS 7 1.335 8.843 0.060
61 HA CYS 7 HA CYS 7 3.700 7.616 -1.143
62 1HB CYS 7 HB2 CYS 7 2.593 5.934 -2.361
63 2HB CYS 7 HB3 CYS 7 1.994 5.810 -0.638
64 H THR 8 HN THR 8 3.665 7.894 -3.537
65 HA THR 8 HA THR 8 1.696 9.566 -4.707
66 HB THR 8 HB THR 8 3.183 11.317 -3.771
67 HG1 THR 8 HG1 THR 8 3.285 11.094 -6.575
68 1HG2 THR 8 HG23 THR 8 5.352 10.058 -3.786
69 2HG2 THR 8 HG21 THR 8 5.401 10.145 -5.587
70 3HG2 THR 8 HG22 THR 8 5.476 11.649 -4.609
71 H SER 9 HN SER 9 2.691 6.792 -4.642
72 HA SER 9 HA SER 9 2.806 6.247 -7.371
73 1HB SER 9 HB2 SER 9 5.033 5.136 -7.545
74 2HB SER 9 HB3 SER 9 5.223 6.878 -7.124
75 HG SER 9 HG SER 9 5.515 6.304 -4.996
76 HA PRO 10 HA PRO 10 1.302 2.620 -5.054
77 1HB PRO 10 HB2 PRO 10 1.660 1.044 -7.633
78 2HB PRO 10 HB3 PRO 10 0.248 1.167 -6.521
79 1HG PRO 10 HG2 PRO 10 0.317 2.540 -8.905
80 2HG PRO 10 HG3 PRO 10 -0.344 3.329 -7.411
81 1HD PRO 10 HD2 PRO 10 2.484 3.607 -8.596
82 2HD PRO 10 HD3 PRO 10 1.327 4.907 -8.050
83 H LYS 11 HN LYS 11 4.478 2.532 -6.648
84 HA LYS 11 HA LYS 11 5.464 0.249 -5.296
85 1HB LYS 11 HB2 LYS 11 6.325 1.090 -7.459
86 2HB LYS 11 HB3 LYS 11 6.939 2.564 -6.659
87 1HG LYS 11 HG2 LYS 11 8.717 0.915 -7.161
88 2HG LYS 11 HG3 LYS 11 8.606 1.218 -5.400
89 1HD LYS 11 HD2 LYS 11 7.357 -0.927 -5.095
90 2HD LYS 11 HD3 LYS 11 7.420 -1.220 -6.873
91 1HE LYS 11 HE2 LYS 11 9.933 -1.340 -6.757
92 2HE LYS 11 HE3 LYS 11 9.865 -1.004 -4.978
93 1HZ LYS 11 HZ3 LYS 11 8.592 -3.021 -4.703
94 2HZ LYS 11 HZ1 LYS 11 8.657 -3.337 -6.370
95 3HZ LYS 11 HZ2 LYS 11 10.085 -3.334 -5.450
96 H GLN 12 HN GLN 12 4.867 3.531 -4.133
97 HA GLN 12 HA GLN 12 6.730 3.419 -1.945
98 1HB GLN 12 HB2 GLN 12 6.304 5.470 -3.235
99 2HB GLN 12 HB3 GLN 12 4.640 5.480 -2.775
100 1HG GLN 12 HG2 GLN 12 5.341 5.889 -0.359
101 2HG GLN 12 HG3 GLN 12 7.061 5.567 -0.807
102 1HE2 GLN 12 HE22 GLN 12 6.709 9.262 -0.620
103 2HE2 GLN 12 HE21 GLN 12 6.634 7.907 0.457
104 H CYS 13 HN CYS 13 3.835 1.984 -2.736
105 HA CYS 13 HA CYS 13 2.793 1.857 0.007
106 1HB CYS 13 HB2 CYS 13 1.292 3.056 -1.624
107 2HB CYS 13 HB3 CYS 13 1.410 1.702 -2.768
108 H SER 14 HN SER 14 4.378 0.127 -2.653
109 HA SER 14 HA SER 14 3.513 -2.513 -1.822
110 1HB SER 14 HB2 SER 14 5.625 -1.566 -3.860
111 2HB SER 14 HB3 SER 14 5.182 -3.292 -3.564
112 HG SER 14 HG SER 14 3.064 -2.746 -4.139
113 H LYS 15 HN LYS 15 5.592 -0.189 -0.552
114 HA LYS 15 HA LYS 15 7.668 -1.817 0.477
115 1HB LYS 15 HB2 LYS 15 6.712 1.057 0.603
116 2HB LYS 15 HB3 LYS 15 7.872 0.482 1.829
117 1HG LYS 15 HG2 LYS 15 9.445 -0.175 -0.012
118 2HG LYS 15 HG3 LYS 15 8.212 0.337 -1.224
119 1HD LYS 15 HD2 LYS 15 8.334 2.689 -0.358
120 2HD LYS 15 HD3 LYS 15 9.546 2.173 0.864
121 1HE LYS 15 HE2 LYS 15 10.685 3.279 -1.037
122 2HE LYS 15 HE3 LYS 15 11.139 1.527 -0.996
123 1HZ LYS 15 HZ3 LYS 15 9.085 2.774 -2.750
124 2HZ LYS 15 HZ1 LYS 15 10.647 2.288 -3.205
125 3HZ LYS 15 HZ2 LYS 15 9.504 1.130 -2.714
126 HA PRO 16 HA PRO 16 5.114 -1.687 4.538
127 1HB PRO 16 HB2 PRO 16 2.589 -0.546 4.635
128 2HB PRO 16 HB3 PRO 16 4.132 0.363 4.902
129 1HG PRO 16 HG2 PRO 16 2.534 -0.096 2.370
130 2HG PRO 16 HG3 PRO 16 2.967 1.519 3.042
131 1HD PRO 16 HD2 PRO 16 4.528 0.437 1.113
132 2HD PRO 16 HD3 PRO 16 5.359 1.129 2.535
133 H CYS 17 HN CYS 17 2.848 -2.094 1.682
134 HA CYS 17 HA CYS 17 1.299 -4.059 2.810
135 1HB CYS 17 HB2 CYS 17 1.681 -3.468 -0.175
136 2HB CYS 17 HB3 CYS 17 0.347 -4.433 0.552
137 H LYS 18 HN LYS 18 4.386 -4.366 0.896
138 HA LYS 18 HA LYS 18 4.119 -7.269 0.775
139 1HB LYS 18 HB2 LYS 18 6.305 -5.440 -0.269
140 2HB LYS 18 HB3 LYS 18 6.297 -7.237 -0.407
141 1HG LYS 18 HG2 LYS 18 4.070 -7.128 -1.536
142 2HG LYS 18 HG3 LYS 18 4.167 -5.331 -1.504
143 1HD LYS 18 HD2 LYS 18 6.230 -5.418 -2.917
144 2HD LYS 18 HD3 LYS 18 6.170 -7.219 -2.910
145 1HE LYS 18 HE2 LYS 18 3.966 -7.172 -4.112
146 2HE LYS 18 HE3 LYS 18 3.988 -5.361 -4.096
147 1HZ LYS 18 HZ2 LYS 18 5.988 -7.127 -5.409
148 2HZ LYS 18 HZ3 LYS 18 4.746 -6.256 -6.174
149 3HZ LYS 18 HZ1 LYS 18 6.007 -5.429 -5.393
150 H GLU 19 HN GLU 19 5.254 -4.928 2.999
151 HA GLU 19 HA GLU 19 6.897 -6.802 4.510
152 1HB GLU 19 HB2 GLU 19 7.350 -4.350 4.415
153 2HB GLU 19 HB3 GLU 19 5.859 -4.049 5.353
154 1HG GLU 19 HG2 GLU 19 6.835 -5.354 7.291
155 2HG GLU 19 HG3 GLU 19 8.289 -5.726 6.290
156 H LEU 20 HN LEU 20 3.528 -5.978 4.200
157 HA LEU 20 HA LEU 20 2.666 -7.161 6.722
158 1HB LEU 20 HB2 LEU 20 1.280 -5.668 4.430
159 2HB LEU 20 HB3 LEU 20 0.320 -6.478 5.745
160 HG LEU 20 HG LEU 20 2.230 -4.139 6.042
161 1HD1 LEU 20 HD13 LEU 20 0.063 -3.597 4.997
162 2HD1 LEU 20 HD11 LEU 20 -0.815 -4.344 6.385
163 3HD1 LEU 20 HD12 LEU 20 0.198 -2.871 6.641
164 1HD2 LEU 20 HD23 LEU 20 0.635 -5.622 8.231
165 2HD2 LEU 20 HD21 LEU 20 2.434 -5.518 8.100
166 3HD2 LEU 20 HD22 LEU 20 1.471 -4.038 8.441
167 H TYR 21 HN TYR 21 1.717 -7.502 3.250
168 HA TYR 21 HA TYR 21 0.472 -10.055 3.772
169 1HB TYR 21 HB2 TYR 21 0.256 -8.053 1.448
170 2HB TYR 21 HB3 TYR 21 -0.629 -9.621 1.506
171 HD1 TYR 21 HD2 TYR 21 -0.365 -6.232 3.108
172 HD2 TYR 21 HD1 TYR 21 -2.390 -10.029 3.053
173 HE1 TYR 21 HE2 TYR 21 -2.160 -5.302 4.505
174 HE2 TYR 21 HE1 TYR 21 -4.209 -9.081 4.420
175 HH TYR 21 HH TYR 21 -4.996 -7.266 5.498
176 H GLY 22 HN GLY 22 3.509 -9.008 2.555
177 1HA GLY 22 HA1 GLY 22 5.152 -10.486 2.364
178 2HA GLY 22 HA2 GLY 22 4.045 -11.779 1.810
179 H SER 23 HN SER 23 3.116 -11.485 -0.413
180 HA SER 23 HA SER 23 4.667 -9.988 -2.321
181 1HB SER 23 HB2 SER 23 6.072 -12.102 -1.849
182 2HB SER 23 HB3 SER 23 4.704 -13.084 -2.464
183 HG SER 23 HG SER 23 6.149 -11.049 -3.840
184 H SER 24 HN SER 24 1.919 -11.460 -1.037
185 HA SER 24 HA SER 24 0.347 -11.295 -3.521
186 1HB SER 24 HB2 SER 24 0.299 -13.487 -2.266
187 2HB SER 24 HB3 SER 24 -0.374 -12.641 -0.837
188 HG SER 24 HG SER 24 -1.488 -12.763 -3.458
189 H ALA 25 HN ALA 25 0.872 -8.878 -3.160
190 HA ALA 25 HA ALA 25 -0.930 -7.600 -1.209
191 1HB ALA 25 HB1 ALA 25 1.876 -6.725 -2.178
192 2HB ALA 25 HB2 ALA 25 0.789 -5.736 -1.148
193 3HB ALA 25 HB3 ALA 25 1.449 -7.291 -0.530
194 H GLY 26 HN GLY 26 -2.485 -6.430 -2.206
195 1HA GLY 26 HA1 GLY 26 -2.097 -5.455 -4.957
196 2HA GLY 26 HA2 GLY 26 -3.618 -5.658 -4.004
197 H ALA 27 HN ALA 27 -0.617 -3.783 -4.359
198 HA ALA 27 HA ALA 27 -1.345 -1.927 -2.254
199 1HB ALA 27 HB3 ALA 27 1.163 -2.244 -4.015
200 2HB ALA 27 HB1 ALA 27 0.977 -1.032 -2.691
201 3HB ALA 27 HB2 ALA 27 0.964 -2.789 -2.317
202 H LYS 28 HN LYS 28 -2.599 -0.182 -2.749
203 HA LYS 28 HA LYS 28 -2.560 0.932 -5.482
204 1HB LYS 28 HB2 LYS 28 -4.910 0.878 -3.485
205 2HB LYS 28 HB3 LYS 28 -4.992 1.335 -5.229
206 1HG LYS 28 HG2 LYS 28 -4.508 -1.459 -4.044
207 2HG LYS 28 HG3 LYS 28 -6.052 -0.825 -4.694
208 1HD LYS 28 HD2 LYS 28 -5.052 -0.632 -6.968
209 2HD LYS 28 HD3 LYS 28 -3.481 -1.247 -6.342
210 1HE LYS 28 HE2 LYS 28 -4.596 -3.416 -5.675
211 2HE LYS 28 HE3 LYS 28 -6.155 -2.810 -6.365
212 1HZ LYS 28 HZ2 LYS 28 -3.609 -3.201 -7.851
213 2HZ LYS 28 HZ3 LYS 28 -4.971 -4.215 -7.889
214 3HZ LYS 28 HZ1 LYS 28 -5.072 -2.634 -8.503
215 H CYS 29 HN CYS 29 -2.401 3.136 -5.529
216 HA CYS 29 HA CYS 29 -1.978 4.551 -2.952
217 1HB CYS 29 HB2 CYS 29 0.122 4.243 -4.201
218 2HB CYS 29 HB3 CYS 29 -0.594 4.987 -5.655
219 H MET 30 HN MET 30 -3.381 6.064 -2.523
220 HA MET 30 HA MET 30 -4.957 7.404 -4.627
221 1HB MET 30 HB2 MET 30 -5.528 7.077 -1.613
222 2HB MET 30 HB3 MET 30 -6.541 7.977 -2.799
223 1HG MET 30 HG2 MET 30 -5.964 4.966 -2.665
224 2HG MET 30 HG3 MET 30 -7.494 5.786 -2.250
225 1HE MET 30 HE1 MET 30 -9.152 6.837 -3.877
226 2HE MET 30 HE2 MET 30 -7.919 7.914 -4.624
227 3HE MET 30 HE3 MET 30 -8.983 6.913 -5.665
228 H ASN 31 HN ASN 31 -2.728 8.408 -4.910
229 HA ASN 31 HA ASN 31 -0.845 9.366 -3.990
230 1HB ASN 31 HB2 ASN 31 -2.637 11.378 -5.442
231 2HB ASN 31 HB3 ASN 31 -0.838 11.487 -5.314
232 1HD2 ASN 31 HD22 ASN 31 -2.491 9.176 -8.210
233 2HD2 ASN 31 HD21 ASN 31 -3.378 10.320 -7.259
234 H GLY 32 HN GLY 32 -0.887 9.321 -1.700
235 1HA GLY 32 HA1 GLY 32 -0.558 11.460 -0.192
236 2HA GLY 32 HA2 GLY 32 -2.365 11.326 -0.284
237 H LYS 33 HN LYS 33 -2.439 8.352 -0.498
238 HA LYS 33 HA LYS 33 -1.228 7.363 1.903
239 1HB LYS 33 HB2 LYS 33 -4.234 7.919 1.890
240 2HB LYS 33 HB3 LYS 33 -3.519 6.604 2.886
241 1HG LYS 33 HG2 LYS 33 -1.895 8.291 3.874
242 2HG LYS 33 HG3 LYS 33 -2.949 9.577 3.189
243 1HD LYS 33 HD2 LYS 33 -4.898 8.713 4.476
244 2HD LYS 33 HD3 LYS 33 -3.908 7.337 5.076
245 1HE LYS 33 HE2 LYS 33 -4.105 9.088 6.833
246 2HE LYS 33 HE3 LYS 33 -2.386 8.928 6.287
247 1HZ LYS 33 HZ3 LYS 33 -2.717 10.849 4.882
248 2HZ LYS 33 HZ1 LYS 33 -4.328 10.998 5.399
249 3HZ LYS 33 HZ2 LYS 33 -3.058 11.208 6.506
250 H CYS 34 HN CYS 34 -1.740 5.120 2.241
251 HA CYS 34 HA CYS 34 -1.702 3.701 -0.305
252 1HB CYS 34 HB2 CYS 34 0.379 3.858 0.995
253 2HB CYS 34 HB3 CYS 34 -0.447 3.312 2.475
254 H LYS 35 HN LYS 35 -2.623 1.618 -0.456
255 HA LYS 35 HA LYS 35 -4.517 0.699 1.590
256 1HB LYS 35 HB2 LYS 35 -4.883 0.779 -1.478
257 2HB LYS 35 HB3 LYS 35 -5.926 -0.156 -0.345
258 1HG LYS 35 HG2 LYS 35 -6.363 2.028 0.860
259 2HG LYS 35 HG3 LYS 35 -5.644 2.900 -0.538
260 1HD LYS 35 HD2 LYS 35 -7.981 0.894 -0.700
261 2HD LYS 35 HD3 LYS 35 -8.198 2.676 -0.531
262 1HE LYS 35 HE2 LYS 35 -6.971 2.990 -2.749
263 2HE LYS 35 HE3 LYS 35 -6.914 1.194 -2.926
264 1HZ LYS 35 HZ3 LYS 35 -9.306 1.155 -2.838
265 2HZ LYS 35 HZ1 LYS 35 -9.367 2.846 -2.675
266 3HZ LYS 35 HZ2 LYS 35 -8.751 2.150 -4.097
267 H CYS 36 HN CYS 36 -4.456 -1.525 1.871
268 HA CYS 36 HA CYS 36 -2.580 -3.099 0.185
269 1HB CYS 36 HB2 CYS 36 -2.959 -3.495 3.205
270 2HB CYS 36 HB3 CYS 36 -1.873 -4.433 2.024
271 H TYR 37 HN TYR 37 -3.624 -4.662 -0.882
272 HA TYR 37 HA TYR 37 -5.987 -5.941 0.289
273 1HB TYR 37 HB2 TYR 37 -5.240 -5.098 -2.597
274 2HB TYR 37 HB3 TYR 37 -6.570 -6.226 -2.219
275 HD1 TYR 37 HD2 TYR 37 -8.337 -5.419 -0.488
276 HD2 TYR 37 HD1 TYR 37 -5.677 -2.708 -2.523
277 HE1 TYR 37 HE2 TYR 37 -9.875 -3.548 -0.036
278 HE2 TYR 37 HE1 TYR 37 -7.236 -0.877 -2.154
279 HH TYR 37 HH TYR 37 -9.222 -0.236 -1.227
280 H ASN 38 HN ASN 38 -5.951 -7.984 -1.725
281 HA ASN 38 HA ASN 38 -3.360 -9.354 -1.389
282 1HB ASN 38 HB2 ASN 38 -6.180 -10.499 -0.842
283 2HB ASN 38 HB3 ASN 38 -4.742 -11.536 -1.175
284 1HD2 ASN 38 HD21 ASN 38 -5.208 -9.814 2.531
285 2HD2 ASN 38 HD22 ASN 38 -6.333 -9.509 1.249
286 H ASN 39 HN ASN 39 -2.862 -8.680 -3.539
287 HA ASN 39 HA ASN 39 -4.253 -10.253 -5.604
288 1HB ASN 39 HB2 ASN 39 -3.329 -7.327 -5.916
289 2HB ASN 39 HB3 ASN 39 -3.816 -8.418 -7.261
290 1HD2 ASN 39 HD22 ASN 39 -6.667 -6.311 -5.297
291 2HD2 ASN 39 HD21 ASN 39 -4.968 -5.993 -5.190
292 1H NH2 40 HT1 ASN 39 -0.923 -11.470 -5.679
293 2H NH2 40 HT2 ASN 39 -2.559 -11.792 -5.206
No H/Q in entry = 293
Start of MODEL 19
1 1H THR 1 HN3 THR 1 -6.107 -3.258 6.797
2 2H THR 1 HN2 THR 1 -7.586 -2.421 6.828
3 3H THR 1 HN THR 1 -7.571 -4.121 6.841
4 HA THR 1 HA THR 1 -6.592 -4.162 4.678
5 HB THR 1 HB THR 1 -9.154 -2.450 4.744
6 HG1 THR 1 HG1 THR 1 -8.749 -5.250 4.671
7 1HG2 THR 1 HG21 THR 1 -7.983 -4.326 2.559
8 2HG2 THR 1 HG22 THR 1 -9.621 -3.574 2.524
9 3HG2 THR 1 HG23 THR 1 -8.165 -2.538 2.419
10 H ILE 2 HN ILE 2 -7.640 -0.764 5.478
11 HA ILE 2 HA ILE 2 -5.762 0.294 3.493
12 HB ILE 2 HB ILE 2 -8.252 1.463 4.828
13 1HG1 ILE 2 HG12 ILE 2 -7.696 0.470 1.959
14 2HG1 ILE 2 HG13 ILE 2 -8.726 -0.327 3.181
15 1HG2 ILE 2 HG22 ILE 2 -6.210 2.700 2.859
16 2HG2 ILE 2 HG23 ILE 2 -7.857 3.376 3.142
17 3HG2 ILE 2 HG21 ILE 2 -6.681 3.313 4.478
18 1HD1 ILE 2 HD11 ILE 2 -10.260 1.674 3.208
19 2HD1 ILE 2 HD12 ILE 2 -9.293 2.400 1.868
20 3HD1 ILE 2 HD13 ILE 2 -10.160 0.849 1.608
21 H ILE 3 HN ILE 3 -3.953 1.151 4.193
22 HA ILE 3 HA ILE 3 -3.531 1.610 7.076
23 HB ILE 3 HB ILE 3 -1.220 1.267 6.743
24 1HG1 ILE 3 HG12 ILE 3 -1.907 0.427 3.850
25 2HG1 ILE 3 HG13 ILE 3 -1.101 1.978 4.277
26 1HG2 ILE 3 HG21 ILE 3 -2.892 -0.512 7.381
27 2HG2 ILE 3 HG22 ILE 3 -2.983 -1.016 5.650
28 3HG2 ILE 3 HG23 ILE 3 -1.435 -1.156 6.556
29 1HD1 ILE 3 HD13 ILE 3 0.691 0.727 5.484
30 2HD1 ILE 3 HD11 ILE 3 -0.025 -0.831 4.932
31 3HD1 ILE 3 HD12 ILE 3 0.628 0.323 3.717
32 H ASN 4 HN ASN 4 -1.422 3.215 7.244
33 HA ASN 4 HA ASN 4 -2.102 5.722 5.853
34 1HB ASN 4 HB2 ASN 4 -3.061 5.611 8.212
35 2HB ASN 4 HB3 ASN 4 -1.404 5.434 8.852
36 1HD2 ASN 4 HD22 ASN 4 -0.845 8.950 8.832
37 2HD2 ASN 4 HD21 ASN 4 -0.387 7.375 9.388
38 H VAL 5 HN VAL 5 -0.430 4.962 4.379
39 HA VAL 5 HA VAL 5 2.199 5.897 5.265
40 HB VAL 5 HB VAL 5 1.591 3.438 3.532
41 1HG1 VAL 5 HG12 VAL 5 4.198 5.105 3.595
42 2HG1 VAL 5 HG13 VAL 5 4.086 3.415 2.983
43 3HG1 VAL 5 HG11 VAL 5 3.182 4.697 2.148
44 1HG2 VAL 5 HG21 VAL 5 3.400 3.942 5.983
45 2HG2 VAL 5 HG22 VAL 5 1.864 2.996 5.947
46 3HG2 VAL 5 HG23 VAL 5 3.311 2.397 5.067
47 H LYS 6 HN LYS 6 2.663 7.697 4.218
48 HA LYS 6 HA LYS 6 0.826 8.696 2.289
49 1HB LYS 6 HB2 LYS 6 3.441 9.982 3.277
50 2HB LYS 6 HB3 LYS 6 2.065 10.807 2.460
51 1HG LYS 6 HG2 LYS 6 2.021 9.490 5.253
52 2HG LYS 6 HG3 LYS 6 2.189 11.238 4.893
53 1HD LYS 6 HD2 LYS 6 -0.069 11.247 3.819
54 2HD LYS 6 HD3 LYS 6 -0.267 9.503 4.228
55 1HE LYS 6 HE2 LYS 6 -0.109 10.029 6.670
56 2HE LYS 6 HE3 LYS 6 0.148 11.781 6.287
57 1HZ LYS 6 HZ2 LYS 6 -2.014 11.814 5.248
58 2HZ LYS 6 HZ3 LYS 6 -2.257 10.172 5.608
59 3HZ LYS 6 HZ1 LYS 6 -2.116 11.305 6.865
60 H CYS 7 HN CYS 7 1.189 8.878 0.009
61 HA CYS 7 HA CYS 7 3.728 7.838 -1.069
62 1HB CYS 7 HB2 CYS 7 2.652 6.096 -2.317
63 2HB CYS 7 HB3 CYS 7 2.182 5.956 -0.564
64 H THR 8 HN THR 8 3.673 7.908 -3.498
65 HA THR 8 HA THR 8 1.919 9.785 -4.752
66 HB THR 8 HB THR 8 3.631 11.300 -3.765
67 HG1 THR 8 HG1 THR 8 3.785 11.060 -6.568
68 1HG2 THR 8 HG21 THR 8 5.578 9.698 -3.735
69 2HG2 THR 8 HG22 THR 8 5.700 9.816 -5.529
70 3HG2 THR 8 HG23 THR 8 5.973 11.269 -4.511
71 H SER 9 HN SER 9 2.622 6.879 -4.616
72 HA SER 9 HA SER 9 2.788 6.233 -7.315
73 1HB SER 9 HB2 SER 9 4.991 4.987 -7.342
74 2HB SER 9 HB3 SER 9 5.210 6.757 -7.119
75 HG SER 9 HG SER 9 5.301 4.873 -5.059
76 HA PRO 10 HA PRO 10 1.307 2.584 -4.939
77 1HB PRO 10 HB2 PRO 10 1.666 1.112 -7.593
78 2HB PRO 10 HB3 PRO 10 0.279 1.116 -6.440
79 1HG PRO 10 HG2 PRO 10 0.201 2.571 -8.766
80 2HG PRO 10 HG3 PRO 10 -0.431 3.293 -7.226
81 1HD PRO 10 HD2 PRO 10 2.350 3.692 -8.492
82 2HD PRO 10 HD3 PRO 10 1.167 4.946 -7.890
83 H LYS 11 HN LYS 11 4.391 2.735 -6.654
84 HA LYS 11 HA LYS 11 5.628 0.447 -5.570
85 1HB LYS 11 HB2 LYS 11 6.883 3.005 -6.693
86 2HB LYS 11 HB3 LYS 11 7.722 1.428 -6.447
87 1HG LYS 11 HG2 LYS 11 5.400 1.983 -8.398
88 2HG LYS 11 HG3 LYS 11 7.141 1.833 -8.801
89 1HD LYS 11 HD2 LYS 11 7.132 -0.541 -8.001
90 2HD LYS 11 HD3 LYS 11 5.372 -0.409 -7.637
91 1HE LYS 11 HE2 LYS 11 4.892 0.053 -10.061
92 2HE LYS 11 HE3 LYS 11 6.658 -0.094 -10.436
93 1HZ LYS 11 HZ1 LYS 11 4.928 -2.215 -9.276
94 2HZ LYS 11 HZ2 LYS 11 5.467 -2.113 -10.883
95 3HZ LYS 11 HZ3 LYS 11 6.584 -2.353 -9.626
96 H GLN 12 HN GLN 12 4.875 3.548 -4.084
97 HA GLN 12 HA GLN 12 6.852 3.406 -2.006
98 1HB GLN 12 HB2 GLN 12 6.328 5.559 -3.016
99 2HB GLN 12 HB3 GLN 12 4.629 5.338 -2.774
100 1HG GLN 12 HG2 GLN 12 5.688 6.986 -1.196
101 2HG GLN 12 HG3 GLN 12 4.994 5.624 -0.256
102 1HE2 GLN 12 HE22 GLN 12 9.170 5.889 -0.737
103 2HE2 GLN 12 HE21 GLN 12 8.115 6.433 -1.999
104 H CYS 13 HN CYS 13 3.833 1.993 -2.754
105 HA CYS 13 HA CYS 13 2.927 1.784 0.030
106 1HB CYS 13 HB2 CYS 13 1.429 3.027 -1.559
107 2HB CYS 13 HB3 CYS 13 1.491 1.680 -2.715
108 H SER 14 HN SER 14 4.420 -0.017 -2.615
109 HA SER 14 HA SER 14 3.414 -2.594 -1.734
110 1HB SER 14 HB2 SER 14 4.803 -3.512 -3.583
111 2HB SER 14 HB3 SER 14 3.621 -2.277 -4.122
112 HG SER 14 HG SER 14 6.369 -1.826 -3.617
113 H LYS 15 HN LYS 15 5.671 -0.423 -0.526
114 HA LYS 15 HA LYS 15 7.631 -2.234 0.463
115 1HB LYS 15 HB2 LYS 15 7.057 0.705 0.448
116 2HB LYS 15 HB3 LYS 15 7.921 0.100 1.889
117 1HG LYS 15 HG2 LYS 15 9.581 -1.029 0.349
118 2HG LYS 15 HG3 LYS 15 8.789 -0.203 -1.041
119 1HD LYS 15 HD2 LYS 15 10.026 1.201 1.421
120 2HD LYS 15 HD3 LYS 15 10.911 0.914 -0.112
121 1HE LYS 15 HE2 LYS 15 8.333 2.624 0.107
122 2HE LYS 15 HE3 LYS 15 10.021 3.269 0.095
123 1HZ LYS 15 HZ2 LYS 15 10.338 2.282 -2.065
124 2HZ LYS 15 HZ3 LYS 15 8.752 1.671 -2.063
125 3HZ LYS 15 HZ1 LYS 15 9.016 3.349 -2.061
126 HA PRO 16 HA PRO 16 5.176 -1.776 4.570
127 1HB PRO 16 HB2 PRO 16 2.724 -0.498 4.651
128 2HB PRO 16 HB3 PRO 16 4.324 0.314 4.892
129 1HG PRO 16 HG2 PRO 16 2.670 -0.070 2.391
130 2HG PRO 16 HG3 PRO 16 3.264 1.517 3.017
131 1HD PRO 16 HD2 PRO 16 4.649 0.245 1.082
132 2HD PRO 16 HD3 PRO 16 5.586 0.920 2.448
133 H CYS 17 HN CYS 17 2.788 -2.125 1.820
134 HA CYS 17 HA CYS 17 1.208 -4.049 2.968
135 1HB CYS 17 HB2 CYS 17 1.584 -3.430 -0.013
136 2HB CYS 17 HB3 CYS 17 0.228 -4.371 0.702
137 H LYS 18 HN LYS 18 4.190 -4.513 0.898
138 HA LYS 18 HA LYS 18 3.755 -7.390 0.863
139 1HB LYS 18 HB2 LYS 18 5.989 -5.749 -0.372
140 2HB LYS 18 HB3 LYS 18 5.786 -7.538 -0.507
141 1HG LYS 18 HG2 LYS 18 3.497 -7.189 -1.449
142 2HG LYS 18 HG3 LYS 18 3.776 -5.411 -1.419
143 1HD LYS 18 HD2 LYS 18 5.684 -5.682 -3.010
144 2HD LYS 18 HD3 LYS 18 5.441 -7.467 -3.007
145 1HE LYS 18 HE2 LYS 18 3.134 -7.165 -3.975
146 2HE LYS 18 HE3 LYS 18 3.372 -5.371 -3.983
147 1HZ LYS 18 HZ1 LYS 18 5.007 -7.365 -5.465
148 2HZ LYS 18 HZ2 LYS 18 3.809 -6.351 -6.115
149 3HZ LYS 18 HZ3 LYS 18 5.233 -5.681 -5.472
150 H GLU 19 HN GLU 19 5.067 -5.158 3.036
151 HA GLU 19 HA GLU 19 6.709 -7.130 4.434
152 1HB GLU 19 HB2 GLU 19 7.322 -4.719 4.331
153 2HB GLU 19 HB3 GLU 19 5.886 -4.317 5.318
154 1HG GLU 19 HG2 GLU 19 6.830 -5.713 7.215
155 2HG GLU 19 HG3 GLU 19 8.249 -6.129 6.181
156 H LEU 20 HN LEU 20 3.375 -6.020 4.343
157 HA LEU 20 HA LEU 20 2.607 -7.090 6.933
158 1HB LEU 20 HB2 LEU 20 1.198 -5.561 4.688
159 2HB LEU 20 HB3 LEU 20 0.244 -6.267 6.072
160 HG LEU 20 HG LEU 20 2.378 -4.114 6.245
161 1HD1 LEU 20 HD13 LEU 20 0.281 -3.354 5.201
162 2HD1 LEU 20 HD11 LEU 20 -0.669 -3.979 6.600
163 3HD1 LEU 20 HD12 LEU 20 0.495 -2.620 6.833
164 1HD2 LEU 20 HD22 LEU 20 0.650 -5.348 8.486
165 2HD2 LEU 20 HD23 LEU 20 2.446 -5.460 8.337
166 3HD2 LEU 20 HD21 LEU 20 1.669 -3.869 8.647
167 H TYR 21 HN TYR 21 1.442 -7.497 3.540
168 HA TYR 21 HA TYR 21 -0.048 -9.864 4.210
169 1HB TYR 21 HB2 TYR 21 0.037 -8.026 1.744
170 2HB TYR 21 HB3 TYR 21 -0.974 -9.515 1.809
171 HD1 TYR 21 HD2 TYR 21 -0.427 -6.157 3.476
172 HD2 TYR 21 HD1 TYR 21 -2.957 -9.613 3.080
173 HE1 TYR 21 HE2 TYR 21 -2.167 -5.037 4.791
174 HE2 TYR 21 HE1 TYR 21 -4.735 -8.458 4.333
175 HH TYR 21 HH TYR 21 -4.247 -5.134 5.627
176 H GLY 22 HN GLY 22 2.820 -8.953 2.265
177 1HA GLY 22 HA1 GLY 22 4.623 -10.185 2.103
178 2HA GLY 22 HA2 GLY 22 3.743 -11.661 2.588
179 H SER 23 HN SER 23 4.854 -9.632 -0.052
180 HA SER 23 HA SER 23 5.598 -10.098 -1.971
181 1HB SER 23 HB2 SER 23 4.649 -13.007 -1.817
182 2HB SER 23 HB3 SER 23 5.751 -12.308 -3.061
183 HG SER 23 HG SER 23 7.156 -11.754 -1.375
184 H SER 24 HN SER 24 2.328 -11.573 -1.716
185 HA SER 24 HA SER 24 1.579 -10.461 -4.336
186 1HB SER 24 HB2 SER 24 1.522 -12.970 -4.058
187 2HB SER 24 HB3 SER 24 0.286 -12.784 -2.775
188 HG SER 24 HG SER 24 0.130 -11.896 -5.480
189 H ALA 25 HN ALA 25 1.523 -8.347 -2.998
190 HA ALA 25 HA ALA 25 -1.021 -8.035 -1.545
191 1HB ALA 25 HB2 ALA 25 1.067 -7.346 -0.283
192 2HB ALA 25 HB3 ALA 25 1.423 -6.134 -1.565
193 3HB ALA 25 HB1 ALA 25 -0.081 -6.002 -0.583
194 H GLY 26 HN GLY 26 -2.444 -6.433 -2.263
195 1HA GLY 26 HA1 GLY 26 -2.027 -5.333 -4.962
196 2HA GLY 26 HA2 GLY 26 -3.550 -5.563 -4.026
197 H ALA 27 HN ALA 27 -0.598 -3.640 -4.385
198 HA ALA 27 HA ALA 27 -1.306 -1.838 -2.218
199 1HB ALA 27 HB2 ALA 27 1.176 -2.115 -4.027
200 2HB ALA 27 HB3 ALA 27 0.993 -0.901 -2.707
201 3HB ALA 27 HB1 ALA 27 1.007 -2.655 -2.323
202 H LYS 28 HN LYS 28 -2.579 -0.056 -2.665
203 HA LYS 28 HA LYS 28 -2.496 1.115 -5.380
204 1HB LYS 28 HB2 LYS 28 -4.848 0.926 -3.412
205 2HB LYS 28 HB3 LYS 28 -4.912 1.620 -5.076
206 1HG LYS 28 HG2 LYS 28 -4.270 -0.736 -5.924
207 2HG LYS 28 HG3 LYS 28 -4.513 -1.293 -4.226
208 1HD LYS 28 HD2 LYS 28 -6.522 -1.789 -5.458
209 2HD LYS 28 HD3 LYS 28 -6.890 -0.443 -4.324
210 1HE LYS 28 HE2 LYS 28 -6.736 1.207 -6.230
211 2HE LYS 28 HE3 LYS 28 -6.345 -0.154 -7.360
212 1HZ LYS 28 HZ1 LYS 28 -8.474 -1.128 -6.821
213 2HZ LYS 28 HZ2 LYS 28 -8.834 0.149 -5.760
214 3HZ LYS 28 HZ3 LYS 28 -8.654 0.451 -7.422
215 H CYS 29 HN CYS 29 -2.376 3.295 -5.435
216 HA CYS 29 HA CYS 29 -2.071 4.775 -2.888
217 1HB CYS 29 HB2 CYS 29 0.117 4.442 -4.030
218 2HB CYS 29 HB3 CYS 29 -0.521 5.205 -5.509
219 H MET 30 HN MET 30 -3.889 5.898 -2.664
220 HA MET 30 HA MET 30 -5.096 7.298 -4.960
221 1HB MET 30 HB2 MET 30 -6.407 6.108 -2.450
222 2HB MET 30 HB3 MET 30 -7.254 7.200 -3.594
223 1HG MET 30 HG2 MET 30 -6.097 4.422 -4.178
224 2HG MET 30 HG3 MET 30 -7.820 4.859 -3.998
225 1HE MET 30 HE3 MET 30 -9.227 6.219 -5.629
226 2HE MET 30 HE1 MET 30 -8.097 7.619 -5.655
227 3HE MET 30 HE2 MET 30 -8.673 6.905 -7.196
228 H ASN 31 HN ASN 31 -4.699 9.596 -4.684
229 HA ASN 31 HA ASN 31 -4.597 11.559 -3.835
230 1HB ASN 31 HB2 ASN 31 -5.293 10.502 -1.038
231 2HB ASN 31 HB3 ASN 31 -5.203 12.229 -1.537
232 1HD2 ASN 31 HD22 ASN 31 -8.183 12.077 -3.639
233 2HD2 ASN 31 HD21 ASN 31 -6.586 12.748 -3.613
234 H GLY 32 HN GLY 32 -3.369 10.081 -0.870
235 1HA GLY 32 HA1 GLY 32 -0.741 9.759 -1.670
236 2HA GLY 32 HA2 GLY 32 -0.924 11.304 -0.714
237 H LYS 33 HN LYS 33 -2.442 8.018 -0.697
238 HA LYS 33 HA LYS 33 -1.349 7.322 1.862
239 1HB LYS 33 HB2 LYS 33 -4.363 7.845 1.599
240 2HB LYS 33 HB3 LYS 33 -3.699 6.656 2.777
241 1HG LYS 33 HG2 LYS 33 -2.169 8.496 3.659
242 2HG LYS 33 HG3 LYS 33 -3.180 9.668 2.754
243 1HD LYS 33 HD2 LYS 33 -4.226 7.690 4.877
244 2HD LYS 33 HD3 LYS 33 -3.879 9.433 5.147
245 1HE LYS 33 HE2 LYS 33 -5.648 10.061 3.468
246 2HE LYS 33 HE3 LYS 33 -6.039 8.308 3.232
247 1HZ LYS 33 HZ1 LYS 33 -6.223 9.816 5.785
248 2HZ LYS 33 HZ2 LYS 33 -7.514 9.360 4.779
249 3HZ LYS 33 HZ3 LYS 33 -6.587 8.173 5.563
250 H CYS 34 HN CYS 34 -1.697 5.106 2.266
251 HA CYS 34 HA CYS 34 -1.645 3.599 -0.229
252 1HB CYS 34 HB2 CYS 34 0.434 3.857 1.050
253 2HB CYS 34 HB3 CYS 34 -0.364 3.301 2.544
254 H LYS 35 HN LYS 35 -2.777 1.724 -0.511
255 HA LYS 35 HA LYS 35 -4.498 0.692 1.656
256 1HB LYS 35 HB2 LYS 35 -4.951 0.737 -1.398
257 2HB LYS 35 HB3 LYS 35 -5.927 -0.186 -0.200
258 1HG LYS 35 HG2 LYS 35 -6.450 1.976 0.952
259 2HG LYS 35 HG3 LYS 35 -5.708 2.878 -0.414
260 1HD LYS 35 HD2 LYS 35 -7.951 0.793 -0.719
261 2HD LYS 35 HD3 LYS 35 -8.281 2.546 -0.429
262 1HE LYS 35 HE2 LYS 35 -7.061 3.113 -2.561
263 2HE LYS 35 HE3 LYS 35 -6.815 1.347 -2.873
264 1HZ LYS 35 HZ3 LYS 35 -9.191 1.064 -2.891
265 2HZ LYS 35 HZ1 LYS 35 -9.431 2.721 -2.608
266 3HZ LYS 35 HZ2 LYS 35 -8.697 2.203 -4.049
267 H CYS 36 HN CYS 36 -4.519 -1.567 1.827
268 HA CYS 36 HA CYS 36 -2.606 -3.093 0.152
269 1HB CYS 36 HB2 CYS 36 -3.128 -3.624 3.130
270 2HB CYS 36 HB3 CYS 36 -1.962 -4.474 1.963
271 H TYR 37 HN TYR 37 -3.498 -4.865 -0.807
272 HA TYR 37 HA TYR 37 -5.977 -6.018 0.212
273 1HB TYR 37 HB2 TYR 37 -5.148 -5.149 -2.649
274 2HB TYR 37 HB3 TYR 37 -6.489 -6.278 -2.317
275 HD1 TYR 37 HD2 TYR 37 -8.310 -5.484 -0.653
276 HD2 TYR 37 HD1 TYR 37 -5.595 -2.750 -2.586
277 HE1 TYR 37 HE2 TYR 37 -9.863 -3.623 -0.234
278 HE2 TYR 37 HE1 TYR 37 -7.151 -0.921 -2.229
279 HH TYR 37 HH TYR 37 -9.179 -0.295 -1.367
280 H ASN 38 HN ASN 38 -5.850 -8.055 -1.842
281 HA ASN 38 HA ASN 38 -3.233 -9.369 -1.491
282 1HB ASN 38 HB2 ASN 38 -6.014 -10.566 -0.871
283 2HB ASN 38 HB3 ASN 38 -4.579 -11.596 -1.241
284 1HD2 ASN 38 HD22 ASN 38 -2.794 -10.965 1.770
285 2HD2 ASN 38 HD21 ASN 38 -2.627 -11.360 0.091
286 H ASN 39 HN ASN 39 -3.475 -8.035 -3.733
287 HA ASN 39 HA ASN 39 -4.847 -9.701 -5.751
288 1HB ASN 39 HB2 ASN 39 -3.549 -6.938 -6.031
289 2HB ASN 39 HB3 ASN 39 -4.384 -7.863 -7.330
290 1HD2 ASN 39 HD22 ASN 39 -6.628 -5.323 -5.318
291 2HD2 ASN 39 HD21 ASN 39 -4.946 -5.196 -5.712
292 1H NH2 40 HT1 ASN 39 -3.585 -11.210 -6.757
293 2H NH2 40 HT2 ASN 39 -1.865 -11.130 -6.947
No H/Q in entry = 293
Start of MODEL 20
1 1H THR 1 HN2 THR 1 -6.196 -3.659 4.408
2 2H THR 1 HN THR 1 -7.429 -2.981 5.361
3 3H THR 1 HN3 THR 1 -7.614 -4.542 4.716
4 HA THR 1 HA THR 1 -7.583 -3.686 2.522
5 HB THR 1 HB THR 1 -9.803 -2.474 2.494
6 HG1 THR 1 HG1 THR 1 -9.546 -2.763 5.307
7 1HG2 THR 1 HG23 THR 1 -9.551 -4.963 2.484
8 2HG2 THR 1 HG21 THR 1 -9.573 -4.984 4.287
9 3HG2 THR 1 HG22 THR 1 -11.027 -4.438 3.372
10 H ILE 2 HN ILE 2 -7.615 -0.898 4.863
11 HA ILE 2 HA ILE 2 -6.130 0.730 2.945
12 HB ILE 2 HB ILE 2 -8.419 1.627 4.789
13 1HG1 ILE 2 HG12 ILE 2 -8.364 1.216 1.737
14 2HG1 ILE 2 HG13 ILE 2 -9.363 0.344 2.932
15 1HG2 ILE 2 HG22 ILE 2 -6.626 3.133 2.764
16 2HG2 ILE 2 HG23 ILE 2 -8.055 3.842 3.609
17 3HG2 ILE 2 HG21 ILE 2 -6.632 3.335 4.553
18 1HD1 ILE 2 HD11 ILE 2 -10.538 2.507 3.522
19 2HD1 ILE 2 HD12 ILE 2 -9.633 3.320 2.186
20 3HD1 ILE 2 HD13 ILE 2 -10.768 1.977 1.814
21 H ILE 3 HN ILE 3 -4.214 1.352 3.864
22 HA ILE 3 HA ILE 3 -3.916 1.328 6.804
23 HB ILE 3 HB ILE 3 -1.631 0.950 6.646
24 1HG1 ILE 3 HG12 ILE 3 -1.900 0.412 3.627
25 2HG1 ILE 3 HG13 ILE 3 -1.279 1.966 4.271
26 1HG2 ILE 3 HG21 ILE 3 -3.315 -0.902 6.858
27 2HG2 ILE 3 HG22 ILE 3 -3.236 -1.163 5.074
28 3HG2 ILE 3 HG23 ILE 3 -1.777 -1.431 6.092
29 1HD1 ILE 3 HD13 ILE 3 0.434 0.763 5.621
30 2HD1 ILE 3 HD11 ILE 3 -0.060 -0.797 4.866
31 3HD1 ILE 3 HD12 ILE 3 0.634 0.506 3.838
32 H ASN 4 HN ASN 4 -1.690 2.922 7.077
33 HA ASN 4 HA ASN 4 -2.343 5.501 5.803
34 1HB ASN 4 HB2 ASN 4 -1.817 5.015 8.810
35 2HB ASN 4 HB3 ASN 4 -1.918 6.636 8.020
36 1HD2 ASN 4 HD22 ASN 4 -5.504 6.457 7.430
37 2HD2 ASN 4 HD21 ASN 4 -4.034 6.989 6.685
38 H VAL 5 HN VAL 5 -0.604 4.895 4.365
39 HA VAL 5 HA VAL 5 1.967 5.791 5.423
40 HB VAL 5 HB VAL 5 1.480 3.326 3.660
41 1HG1 VAL 5 HG11 VAL 5 4.013 5.096 3.727
42 2HG1 VAL 5 HG12 VAL 5 4.034 3.369 3.239
43 3HG1 VAL 5 HG13 VAL 5 3.074 4.518 2.281
44 1HG2 VAL 5 HG22 VAL 5 3.234 3.872 6.142
45 2HG2 VAL 5 HG23 VAL 5 1.709 2.906 6.086
46 3HG2 VAL 5 HG21 VAL 5 3.176 2.321 5.230
47 H LYS 6 HN LYS 6 2.655 7.510 4.292
48 HA LYS 6 HA LYS 6 0.912 8.588 2.309
49 1HB LYS 6 HB2 LYS 6 3.587 9.677 3.370
50 2HB LYS 6 HB3 LYS 6 2.365 10.596 2.419
51 1HG LYS 6 HG2 LYS 6 1.959 9.429 5.246
52 2HG LYS 6 HG3 LYS 6 2.355 11.130 4.838
53 1HD LYS 6 HD2 LYS 6 0.215 11.332 3.556
54 2HD LYS 6 HD3 LYS 6 -0.213 9.644 4.015
55 1HE LYS 6 HE2 LYS 6 -0.221 10.279 6.440
56 2HE LYS 6 HE3 LYS 6 0.242 11.975 6.001
57 1HZ LYS 6 HZ1 LYS 6 -2.233 10.562 5.157
58 2HZ LYS 6 HZ2 LYS 6 -2.104 11.745 6.370
59 3HZ LYS 6 HZ3 LYS 6 -1.796 12.152 4.750
60 H CYS 7 HN CYS 7 1.337 8.824 0.050
61 HA CYS 7 HA CYS 7 3.800 7.677 -1.055
62 1HB CYS 7 HB2 CYS 7 2.694 5.994 -2.338
63 2HB CYS 7 HB3 CYS 7 2.208 5.814 -0.592
64 H THR 8 HN THR 8 3.718 7.881 -3.505
65 HA THR 8 HA THR 8 1.817 9.650 -4.650
66 HB THR 8 HB THR 8 3.376 11.331 -3.707
67 HG1 THR 8 HG1 THR 8 3.483 11.121 -6.513
68 1HG2 THR 8 HG21 THR 8 5.490 9.991 -3.718
69 2HG2 THR 8 HG22 THR 8 5.549 10.070 -5.519
70 3HG2 THR 8 HG23 THR 8 5.683 11.572 -4.544
71 H SER 9 HN SER 9 2.639 6.853 -4.611
72 HA SER 9 HA SER 9 2.773 6.277 -7.323
73 1HB SER 9 HB2 SER 9 4.983 5.081 -7.451
74 2HB SER 9 HB3 SER 9 5.202 6.837 -7.114
75 HG SER 9 HG SER 9 5.478 6.370 -4.963
76 HA PRO 10 HA PRO 10 1.305 2.595 -5.002
77 1HB PRO 10 HB2 PRO 10 1.707 1.110 -7.641
78 2HB PRO 10 HB3 PRO 10 0.286 1.136 -6.528
79 1HG PRO 10 HG2 PRO 10 0.287 2.575 -8.860
80 2HG PRO 10 HG3 PRO 10 -0.383 3.307 -7.340
81 1HD PRO 10 HD2 PRO 10 2.431 3.691 -8.536
82 2HD PRO 10 HD3 PRO 10 1.236 4.950 -7.969
83 H LYS 11 HN LYS 11 4.414 2.751 -6.642
84 HA LYS 11 HA LYS 11 5.641 0.460 -5.558
85 1HB LYS 11 HB2 LYS 11 6.803 2.984 -6.830
86 2HB LYS 11 HB3 LYS 11 7.787 1.578 -6.290
87 1HG LYS 11 HG2 LYS 11 7.580 1.203 -8.532
88 2HG LYS 11 HG3 LYS 11 6.385 0.084 -7.795
89 1HD LYS 11 HD2 LYS 11 4.548 1.738 -8.431
90 2HD LYS 11 HD3 LYS 11 5.788 2.770 -9.217
91 1HE LYS 11 HE2 LYS 11 5.124 -0.169 -9.945
92 2HE LYS 11 HE3 LYS 11 4.516 1.290 -10.834
93 1HZ LYS 11 HZ1 LYS 11 7.364 0.498 -10.513
94 2HZ LYS 11 HZ2 LYS 11 6.410 0.305 -11.905
95 3HZ LYS 11 HZ3 LYS 11 6.789 1.863 -11.344
96 H GLN 12 HN GLN 12 4.785 3.519 -4.048
97 HA GLN 12 HA GLN 12 6.802 3.387 -1.972
98 1HB GLN 12 HB2 GLN 12 6.379 5.483 -3.174
99 2HB GLN 12 HB3 GLN 12 4.713 5.479 -2.733
100 1HG GLN 12 HG2 GLN 12 5.378 5.853 -0.306
101 2HG GLN 12 HG3 GLN 12 7.101 5.508 -0.724
102 1HE2 GLN 12 HE22 GLN 12 6.840 9.198 -0.482
103 2HE2 GLN 12 HE21 GLN 12 6.736 7.823 0.567
104 H CYS 13 HN CYS 13 3.971 1.846 -2.701
105 HA CYS 13 HA CYS 13 2.913 1.817 0.044
106 1HB CYS 13 HB2 CYS 13 1.424 3.055 -1.559
107 2HB CYS 13 HB3 CYS 13 1.512 1.716 -2.725
108 H SER 14 HN SER 14 4.336 -0.038 -2.659
109 HA SER 14 HA SER 14 3.321 -2.593 -1.704
110 1HB SER 14 HB2 SER 14 4.660 -3.540 -3.584
111 2HB SER 14 HB3 SER 14 3.468 -2.308 -4.103
112 HG SER 14 HG SER 14 5.463 -2.057 -5.092
113 H LYS 15 HN LYS 15 5.575 -0.418 -0.561
114 HA LYS 15 HA LYS 15 7.591 -2.181 0.378
115 1HB LYS 15 HB2 LYS 15 6.870 0.774 0.486
116 2HB LYS 15 HB3 LYS 15 8.106 0.127 1.596
117 1HG LYS 15 HG2 LYS 15 8.141 -0.056 -1.490
118 2HG LYS 15 HG3 LYS 15 8.966 1.207 -0.517
119 1HD LYS 15 HD2 LYS 15 10.402 -0.537 0.561
120 2HD LYS 15 HD3 LYS 15 9.578 -1.815 -0.397
121 1HE LYS 15 HE2 LYS 15 11.745 -1.258 -1.444
122 2HE LYS 15 HE3 LYS 15 10.390 -0.756 -2.535
123 1HZ LYS 15 HZ3 LYS 15 10.650 1.492 -1.720
124 2HZ LYS 15 HZ1 LYS 15 11.923 1.015 -0.702
125 3HZ LYS 15 HZ2 LYS 15 12.097 0.905 -2.389
126 HA PRO 16 HA PRO 16 5.148 -1.716 4.512
127 1HB PRO 16 HB2 PRO 16 2.633 -0.521 4.528
128 2HB PRO 16 HB3 PRO 16 4.197 0.329 4.862
129 1HG PRO 16 HG2 PRO 16 2.663 -0.036 2.282
130 2HG PRO 16 HG3 PRO 16 3.175 1.545 2.976
131 1HD PRO 16 HD2 PRO 16 4.732 0.409 1.076
132 2HD PRO 16 HD3 PRO 16 5.531 1.031 2.551
133 H CYS 17 HN CYS 17 2.762 -2.077 1.753
134 HA CYS 17 HA CYS 17 1.197 -3.989 2.867
135 1HB CYS 17 HB2 CYS 17 1.691 -3.560 -0.140
136 2HB CYS 17 HB3 CYS 17 0.298 -4.431 0.591
137 H LYS 18 HN LYS 18 4.172 -4.515 0.815
138 HA LYS 18 HA LYS 18 3.822 -7.399 0.892
139 1HB LYS 18 HB2 LYS 18 5.989 -5.741 -0.439
140 2HB LYS 18 HB3 LYS 18 5.794 -7.530 -0.545
141 1HG LYS 18 HG2 LYS 18 3.483 -7.211 -1.443
142 2HG LYS 18 HG3 LYS 18 3.739 -5.430 -1.428
143 1HD LYS 18 HD2 LYS 18 5.588 -5.646 -3.064
144 2HD LYS 18 HD3 LYS 18 5.455 -7.439 -3.018
145 1HE LYS 18 HE2 LYS 18 3.129 -7.314 -3.963
146 2HE LYS 18 HE3 LYS 18 3.239 -5.508 -4.004
147 1HZ LYS 18 HZ1 LYS 18 4.992 -7.409 -5.472
148 2HZ LYS 18 HZ2 LYS 18 3.718 -6.494 -6.124
149 3HZ LYS 18 HZ3 LYS 18 5.097 -5.715 -5.513
150 H GLU 19 HN GLU 19 5.127 -5.072 2.993
151 HA GLU 19 HA GLU 19 6.804 -7.026 4.383
152 1HB GLU 19 HB2 GLU 19 7.397 -4.594 4.300
153 2HB GLU 19 HB3 GLU 19 5.951 -4.220 5.270
154 1HG GLU 19 HG2 GLU 19 7.976 -4.229 6.669
155 2HG GLU 19 HG3 GLU 19 6.890 -5.559 7.191
156 H LEU 20 HN LEU 20 3.457 -5.929 4.355
157 HA LEU 20 HA LEU 20 2.808 -6.914 7.012
158 1HB LEU 20 HB2 LEU 20 1.344 -5.314 4.864
159 2HB LEU 20 HB3 LEU 20 0.459 -5.940 6.336
160 HG LEU 20 HG LEU 20 2.741 -3.925 6.302
161 1HD1 LEU 20 HD12 LEU 20 0.614 -3.055 5.396
162 2HD1 LEU 20 HD13 LEU 20 -0.255 -3.587 6.885
163 3HD1 LEU 20 HD11 LEU 20 1.008 -2.303 6.987
164 1HD2 LEU 20 HD22 LEU 20 1.108 -5.015 8.685
165 2HD2 LEU 20 HD23 LEU 20 2.874 -5.254 8.403
166 3HD2 LEU 20 HD21 LEU 20 2.235 -3.609 8.742
167 H TYR 21 HN TYR 21 1.477 -7.404 3.652
168 HA TYR 21 HA TYR 21 -0.369 -9.366 4.659
169 1HB TYR 21 HB2 TYR 21 -0.180 -7.730 2.081
170 2HB TYR 21 HB3 TYR 21 -1.334 -9.103 2.224
171 HD1 TYR 21 HD1 TYR 21 -0.377 -5.835 3.848
172 HD2 TYR 21 HD2 TYR 21 -3.339 -8.911 3.395
173 HE1 TYR 21 HE1 TYR 21 -1.953 -4.507 5.188
174 HE2 TYR 21 HE2 TYR 21 -4.957 -7.544 4.658
175 HH TYR 21 HH TYR 21 -5.313 -5.624 5.792
176 H GLY 22 HN GLY 22 2.490 -9.314 2.457
177 1HA GLY 22 HA1 GLY 22 3.007 -11.955 2.858
178 2HA GLY 22 HA2 GLY 22 1.980 -11.864 1.358
179 H SER 23 HN SER 23 2.986 -11.566 -0.489
180 HA SER 23 HA SER 23 5.319 -9.880 -0.754
181 1HB SER 23 HB2 SER 23 5.346 -12.857 -1.614
182 2HB SER 23 HB3 SER 23 6.557 -11.622 -2.139
183 HG SER 23 HG SER 23 7.068 -11.336 0.047
184 H SER 24 HN SER 24 2.317 -11.228 -1.624
185 HA SER 24 HA SER 24 2.339 -9.968 -4.282
186 1HB SER 24 HB2 SER 24 2.423 -12.496 -4.419
187 2HB SER 24 HB3 SER 24 0.915 -12.581 -3.456
188 HG SER 24 HG SER 24 1.313 -11.283 -5.969
189 H ALA 25 HN ALA 25 1.750 -8.097 -2.756
190 HA ALA 25 HA ALA 25 -0.968 -8.209 -1.670
191 1HB ALA 25 HB3 ALA 25 0.876 -7.385 -0.169
192 2HB ALA 25 HB1 ALA 25 1.237 -6.056 -1.334
193 3HB ALA 25 HB2 ALA 25 -0.363 -6.137 -0.496
194 H GLY 26 HN GLY 26 -2.500 -6.544 -2.280
195 1HA GLY 26 HA1 GLY 26 -2.130 -5.388 -4.947
196 2HA GLY 26 HA2 GLY 26 -3.621 -5.601 -3.960
197 H ALA 27 HN ALA 27 -0.647 -3.708 -4.385
198 HA ALA 27 HA ALA 27 -1.336 -1.874 -2.240
199 1HB ALA 27 HB3 ALA 27 1.169 -2.190 -4.009
200 2HB ALA 27 HB1 ALA 27 0.986 -0.998 -2.666
201 3HB ALA 27 HB2 ALA 27 0.963 -2.758 -2.320
202 H LYS 28 HN LYS 28 -2.530 -0.077 -2.709
203 HA LYS 28 HA LYS 28 -2.453 1.073 -5.430
204 1HB LYS 28 HB2 LYS 28 -4.832 0.876 -3.488
205 2HB LYS 28 HB3 LYS 28 -4.883 1.535 -5.167
206 1HG LYS 28 HG2 LYS 28 -4.185 -0.840 -5.938
207 2HG LYS 28 HG3 LYS 28 -4.453 -1.347 -4.232
208 1HD LYS 28 HD2 LYS 28 -6.441 -1.919 -5.468
209 2HD LYS 28 HD3 LYS 28 -6.836 -0.546 -4.381
210 1HE LYS 28 HE2 LYS 28 -7.917 -0.268 -6.605
211 2HE LYS 28 HE3 LYS 28 -6.709 1.046 -6.333
212 1HZ LYS 28 HZ1 LYS 28 -6.290 -1.425 -7.931
213 2HZ LYS 28 HZ2 LYS 28 -6.571 0.138 -8.532
214 3HZ LYS 28 HZ3 LYS 28 -5.145 -0.198 -7.673
215 H CYS 29 HN CYS 29 -2.380 3.270 -5.486
216 HA CYS 29 HA CYS 29 -2.084 4.739 -2.928
217 1HB CYS 29 HB2 CYS 29 0.120 4.386 -4.040
218 2HB CYS 29 HB3 CYS 29 -0.489 5.163 -5.523
219 H MET 30 HN MET 30 -3.802 6.004 -2.714
220 HA MET 30 HA MET 30 -4.971 7.388 -5.036
221 1HB MET 30 HB2 MET 30 -6.374 6.214 -2.563
222 2HB MET 30 HB3 MET 30 -7.173 7.311 -3.743
223 1HG MET 30 HG2 MET 30 -6.018 4.530 -4.318
224 2HG MET 30 HG3 MET 30 -7.742 4.960 -4.124
225 1HE MET 30 HE2 MET 30 -8.027 3.515 -6.251
226 2HE MET 30 HE3 MET 30 -7.260 3.842 -7.844
227 3HE MET 30 HE1 MET 30 -6.251 3.326 -6.450
228 H ASN 31 HN ASN 31 -4.575 9.686 -4.724
229 HA ASN 31 HA ASN 31 -4.499 11.635 -3.838
230 1HB ASN 31 HB2 ASN 31 -5.194 10.529 -1.059
231 2HB ASN 31 HB3 ASN 31 -5.108 12.264 -1.530
232 1HD2 ASN 31 HD22 ASN 31 -8.089 12.139 -3.633
233 2HD2 ASN 31 HD21 ASN 31 -6.493 12.811 -3.599
234 H GLY 32 HN GLY 32 -3.274 10.102 -0.900
235 1HA GLY 32 HA1 GLY 32 -0.659 9.770 -1.713
236 2HA GLY 32 HA2 GLY 32 -0.816 11.306 -0.736
237 H LYS 33 HN LYS 33 -2.369 8.034 -0.745
238 HA LYS 33 HA LYS 33 -1.307 7.316 1.809
239 1HB LYS 33 HB2 LYS 33 -4.284 7.998 1.592
240 2HB LYS 33 HB3 LYS 33 -3.702 6.710 2.709
241 1HG LYS 33 HG2 LYS 33 -2.047 8.364 3.683
242 2HG LYS 33 HG3 LYS 33 -2.937 9.666 2.835
243 1HD LYS 33 HD2 LYS 33 -4.158 7.666 4.845
244 2HD LYS 33 HD3 LYS 33 -3.652 9.342 5.237
245 1HE LYS 33 HE2 LYS 33 -5.907 8.567 3.252
246 2HE LYS 33 HE3 LYS 33 -6.121 9.201 4.932
247 1HZ LYS 33 HZ3 LYS 33 -5.011 11.217 4.262
248 2HZ LYS 33 HZ1 LYS 33 -4.798 10.626 2.684
249 3HZ LYS 33 HZ2 LYS 33 -6.363 10.907 3.282
250 H CYS 34 HN CYS 34 -1.717 5.114 2.223
251 HA CYS 34 HA CYS 34 -1.652 3.613 -0.272
252 1HB CYS 34 HB2 CYS 34 0.408 3.843 1.054
253 2HB CYS 34 HB3 CYS 34 -0.424 3.278 2.524
254 H LYS 35 HN LYS 35 -2.725 1.688 -0.529
255 HA LYS 35 HA LYS 35 -4.544 0.713 1.572
256 1HB LYS 35 HB2 LYS 35 -4.911 0.930 -1.479
257 2HB LYS 35 HB3 LYS 35 -5.937 -0.109 -0.432
258 1HG LYS 35 HG2 LYS 35 -6.497 1.936 0.928
259 2HG LYS 35 HG3 LYS 35 -5.702 2.960 -0.318
260 1HD LYS 35 HD2 LYS 35 -7.974 0.959 -0.867
261 2HD LYS 35 HD3 LYS 35 -8.249 2.707 -0.510
262 1HE LYS 35 HE2 LYS 35 -6.888 3.302 -2.561
263 2HE LYS 35 HE3 LYS 35 -6.728 1.539 -2.941
264 1HZ LYS 35 HZ2 LYS 35 -9.273 3.048 -2.725
265 2HZ LYS 35 HZ3 LYS 35 -8.504 2.555 -4.156
266 3HZ LYS 35 HZ1 LYS 35 -9.111 1.394 -3.075
267 H CYS 36 HN CYS 36 -4.395 -1.470 1.927
268 HA CYS 36 HA CYS 36 -2.548 -3.045 0.222
269 1HB CYS 36 HB2 CYS 36 -2.844 -3.286 3.273
270 2HB CYS 36 HB3 CYS 36 -1.773 -4.286 2.122
271 H TYR 37 HN TYR 37 -3.685 -4.502 -0.836
272 HA TYR 37 HA TYR 37 -5.966 -5.855 0.402
273 1HB TYR 37 HB2 TYR 37 -5.227 -5.077 -2.504
274 2HB TYR 37 HB3 TYR 37 -6.571 -6.177 -2.089
275 HD1 TYR 37 HD2 TYR 37 -8.274 -5.276 -0.300
276 HD2 TYR 37 HD1 TYR 37 -5.668 -2.694 -2.566
277 HE1 TYR 37 HE2 TYR 37 -9.793 -3.377 0.092
278 HE2 TYR 37 HE1 TYR 37 -7.215 -0.837 -2.257
279 HH TYR 37 HH TYR 37 -10.273 -1.265 -0.344
280 H ASN 38 HN ASN 38 -6.026 -7.996 -1.363
281 HA ASN 38 HA ASN 38 -3.403 -9.345 -1.139
282 1HB ASN 38 HB2 ASN 38 -6.207 -10.455 -0.462
283 2HB ASN 38 HB3 ASN 38 -4.758 -11.499 -0.729
284 1HD2 ASN 38 HD22 ASN 38 -3.081 -10.629 2.308
285 2HD2 ASN 38 HD21 ASN 38 -2.847 -11.153 0.673
286 H ASN 39 HN ASN 39 -3.215 -8.453 -3.364
287 HA ASN 39 HA ASN 39 -4.678 -10.117 -5.333
288 1HB ASN 39 HB2 ASN 39 -3.568 -7.283 -5.747
289 2HB ASN 39 HB3 ASN 39 -4.262 -8.347 -7.023
290 1HD2 ASN 39 HD22 ASN 39 -7.685 -8.112 -5.739
291 2HD2 ASN 39 HD21 ASN 39 -6.569 -9.271 -6.381
292 1H NH2 40 HT1 ASN 39 -0.730 -9.415 -6.222
293 2H NH2 40 HT2 ASN 39 -1.862 -8.109 -6.120
No H/Q in entry = 293
Start of MODEL 21
1 1H THR 1 HN3 THR 1 -7.246 -2.573 6.271
2 2H THR 1 HN2 THR 1 -8.834 -2.401 5.694
3 3H THR 1 HN THR 1 -8.237 -3.942 6.091
4 HA THR 1 HA THR 1 -6.639 -3.823 4.386
5 HB THR 1 HB THR 1 -8.930 -4.788 4.072
6 HG1 THR 1 HG1 THR 1 -7.314 -5.033 2.538
7 1HG2 THR 1 HG22 THR 1 -10.224 -2.600 4.090
8 2HG2 THR 1 HG23 THR 1 -9.555 -2.216 2.458
9 3HG2 THR 1 HG21 THR 1 -10.603 -3.656 2.684
10 H ILE 2 HN ILE 2 -7.477 -0.769 5.384
11 HA ILE 2 HA ILE 2 -6.040 0.553 3.204
12 HB ILE 2 HB ILE 2 -8.427 1.608 4.829
13 1HG1 ILE 2 HG12 ILE 2 -8.142 0.873 1.848
14 2HG1 ILE 2 HG13 ILE 2 -9.177 0.085 3.068
15 1HG2 ILE 2 HG22 ILE 2 -6.533 2.992 2.809
16 2HG2 ILE 2 HG23 ILE 2 -8.076 3.701 3.415
17 3HG2 ILE 2 HG21 ILE 2 -6.740 3.387 4.549
18 1HD1 ILE 2 HD13 ILE 2 -10.494 2.230 3.335
19 2HD1 ILE 2 HD11 ILE 2 -9.536 2.944 1.980
20 3HD1 ILE 2 HD12 ILE 2 -10.577 1.509 1.684
21 H ILE 3 HN ILE 3 -4.127 1.209 4.025
22 HA ILE 3 HA ILE 3 -3.786 1.513 6.943
23 HB ILE 3 HB ILE 3 -1.484 1.135 6.714
24 1HG1 ILE 3 HG12 ILE 3 -2.005 0.360 3.772
25 2HG1 ILE 3 HG13 ILE 3 -1.228 1.902 4.271
26 1HG2 ILE 3 HG23 ILE 3 -3.198 -0.642 7.218
27 2HG2 ILE 3 HG21 ILE 3 -3.212 -1.097 5.472
28 3HG2 ILE 3 HG22 ILE 3 -1.711 -1.283 6.446
29 1HD1 ILE 3 HD13 ILE 3 0.501 0.637 5.553
30 2HD1 ILE 3 HD11 ILE 3 -0.180 -0.918 4.942
31 3HD1 ILE 3 HD12 ILE 3 0.530 0.249 3.780
32 H ASN 4 HN ASN 4 -1.620 3.103 7.158
33 HA ASN 4 HA ASN 4 -2.292 5.642 5.800
34 1HB ASN 4 HB2 ASN 4 -1.745 5.217 8.812
35 2HB ASN 4 HB3 ASN 4 -1.867 6.820 7.991
36 1HD2 ASN 4 HD22 ASN 4 -5.239 4.956 9.264
37 2HD2 ASN 4 HD21 ASN 4 -3.637 4.463 9.702
38 H VAL 5 HN VAL 5 -0.549 4.896 4.376
39 HA VAL 5 HA VAL 5 2.038 5.843 5.378
40 HB VAL 5 HB VAL 5 1.490 3.371 3.651
41 1HG1 VAL 5 HG11 VAL 5 4.074 5.069 3.724
42 2HG1 VAL 5 HG12 VAL 5 4.026 3.346 3.213
43 3HG1 VAL 5 HG13 VAL 5 3.114 4.546 2.272
44 1HG2 VAL 5 HG23 VAL 5 3.238 3.916 6.137
45 2HG2 VAL 5 HG21 VAL 5 1.696 2.977 6.083
46 3HG2 VAL 5 HG22 VAL 5 3.161 2.355 5.246
47 H LYS 6 HN LYS 6 2.683 7.564 4.273
48 HA LYS 6 HA LYS 6 0.940 8.666 2.322
49 1HB LYS 6 HB2 LYS 6 3.641 9.728 3.336
50 2HB LYS 6 HB3 LYS 6 2.399 10.668 2.442
51 1HG LYS 6 HG2 LYS 6 2.089 9.420 5.247
52 2HG LYS 6 HG3 LYS 6 2.471 11.133 4.897
53 1HD LYS 6 HD2 LYS 6 -0.134 9.724 4.043
54 2HD LYS 6 HD3 LYS 6 0.082 10.695 5.538
55 1HE LYS 6 HE2 LYS 6 0.598 12.739 4.200
56 2HE LYS 6 HE3 LYS 6 0.409 11.801 2.664
57 1HZ LYS 6 HZ2 LYS 6 -1.690 12.226 4.723
58 2HZ LYS 6 HZ3 LYS 6 -1.564 13.015 3.224
59 3HZ LYS 6 HZ1 LYS 6 -1.862 11.343 3.283
60 H CYS 7 HN CYS 7 1.310 8.885 0.056
61 HA CYS 7 HA CYS 7 3.750 7.756 -1.132
62 1HB CYS 7 HB2 CYS 7 2.633 5.954 -2.274
63 2HB CYS 7 HB3 CYS 7 2.167 5.858 -0.521
64 H THR 8 HN THR 8 3.437 7.613 -3.441
65 HA THR 8 HA THR 8 2.549 10.094 -4.626
66 HB THR 8 HB THR 8 5.434 8.978 -4.538
67 HG1 THR 8 HG1 THR 8 5.869 10.928 -3.534
68 1HG2 THR 8 HG22 THR 8 4.207 11.459 -5.909
69 2HG2 THR 8 HG23 THR 8 5.976 11.090 -5.794
70 3HG2 THR 8 HG21 THR 8 4.899 10.012 -6.751
71 H SER 9 HN SER 9 4.341 7.011 -4.859
72 HA SER 9 HA SER 9 3.051 6.286 -7.373
73 1HB SER 9 HB2 SER 9 4.999 4.789 -7.699
74 2HB SER 9 HB3 SER 9 5.519 6.475 -7.299
75 HG SER 9 HG SER 9 5.459 4.355 -5.477
76 HA PRO 10 HA PRO 10 1.281 2.730 -5.050
77 1HB PRO 10 HB2 PRO 10 1.674 1.150 -7.632
78 2HB PRO 10 HB3 PRO 10 0.235 1.293 -6.557
79 1HG PRO 10 HG2 PRO 10 0.394 2.670 -8.936
80 2HG PRO 10 HG3 PRO 10 -0.272 3.489 -7.460
81 1HD PRO 10 HD2 PRO 10 2.602 3.642 -8.562
82 2HD PRO 10 HD3 PRO 10 1.480 5.000 -8.082
83 H LYS 11 HN LYS 11 4.454 2.497 -6.693
84 HA LYS 11 HA LYS 11 5.340 0.198 -5.245
85 1HB LYS 11 HB2 LYS 11 6.927 2.239 -6.867
86 2HB LYS 11 HB3 LYS 11 7.552 0.670 -6.251
87 1HG LYS 11 HG2 LYS 11 5.344 1.105 -8.346
88 2HG LYS 11 HG3 LYS 11 7.012 0.508 -8.618
89 1HD LYS 11 HD2 LYS 11 4.763 -0.952 -7.093
90 2HD LYS 11 HD3 LYS 11 5.364 -1.315 -8.743
91 1HE LYS 11 HE2 LYS 11 7.606 -1.965 -7.809
92 2HE LYS 11 HE3 LYS 11 7.019 -1.600 -6.135
93 1HZ LYS 11 HZ1 LYS 11 5.874 -3.622 -7.984
94 2HZ LYS 11 HZ2 LYS 11 6.881 -3.920 -6.649
95 3HZ LYS 11 HZ3 LYS 11 5.329 -3.272 -6.413
96 H GLN 12 HN GLN 12 4.801 3.385 -4.126
97 HA GLN 12 HA GLN 12 6.813 3.359 -2.061
98 1HB GLN 12 HB2 GLN 12 6.286 5.472 -3.244
99 2HB GLN 12 HB3 GLN 12 4.611 5.278 -2.917
100 1HG GLN 12 HG2 GLN 12 5.757 7.010 -1.486
101 2HG GLN 12 HG3 GLN 12 5.100 5.716 -0.431
102 1HE2 GLN 12 HE22 GLN 12 9.244 5.965 -1.122
103 2HE2 GLN 12 HE21 GLN 12 8.125 6.511 -2.328
104 H CYS 13 HN CYS 13 3.778 1.942 -2.740
105 HA CYS 13 HA CYS 13 2.883 1.832 0.049
106 1HB CYS 13 HB2 CYS 13 1.327 3.023 -1.516
107 2HB CYS 13 HB3 CYS 13 1.419 1.687 -2.682
108 H SER 14 HN SER 14 4.309 0.069 -2.656
109 HA SER 14 HA SER 14 3.498 -2.574 -1.811
110 1HB SER 14 HB2 SER 14 5.630 -1.586 -3.824
111 2HB SER 14 HB3 SER 14 5.149 -3.310 -3.582
112 HG SER 14 HG SER 14 3.049 -2.702 -4.161
113 H LYS 15 HN LYS 15 5.548 -0.253 -0.483
114 HA LYS 15 HA LYS 15 7.650 -1.905 0.479
115 1HB LYS 15 HB2 LYS 15 6.747 1.003 0.675
116 2HB LYS 15 HB3 LYS 15 8.034 0.381 1.726
117 1HG LYS 15 HG2 LYS 15 7.975 0.390 -1.361
118 2HG LYS 15 HG3 LYS 15 8.819 1.593 -0.332
119 1HD LYS 15 HD2 LYS 15 10.315 -0.200 0.562
120 2HD LYS 15 HD3 LYS 15 9.521 -1.409 -0.503
121 1HE LYS 15 HE2 LYS 15 11.047 1.104 -1.478
122 2HE LYS 15 HE3 LYS 15 11.681 -0.592 -1.479
123 1HZ LYS 15 HZ1 LYS 15 9.302 0.385 -2.969
124 2HZ LYS 15 HZ2 LYS 15 10.839 0.062 -3.615
125 3HZ LYS 15 HZ3 LYS 15 9.905 -1.202 -2.970
126 HA PRO 16 HA PRO 16 5.097 -1.695 4.552
127 1HB PRO 16 HB2 PRO 16 2.560 -0.572 4.586
128 2HB PRO 16 HB3 PRO 16 4.092 0.328 4.931
129 1HG PRO 16 HG2 PRO 16 2.579 -0.065 2.338
130 2HG PRO 16 HG3 PRO 16 3.007 1.531 3.061
131 1HD PRO 16 HD2 PRO 16 4.640 0.504 1.162
132 2HD PRO 16 HD3 PRO 16 5.392 1.130 2.663
133 H CYS 17 HN CYS 17 2.825 -2.078 1.688
134 HA CYS 17 HA CYS 17 1.292 -4.054 2.794
135 1HB CYS 17 HB2 CYS 17 1.691 -3.521 -0.200
136 2HB CYS 17 HB3 CYS 17 0.349 -4.457 0.548
137 H LYS 18 HN LYS 18 4.372 -4.399 0.877
138 HA LYS 18 HA LYS 18 4.106 -7.301 0.765
139 1HB LYS 18 HB2 LYS 18 6.299 -5.498 -0.301
140 2HB LYS 18 HB3 LYS 18 6.213 -7.292 -0.476
141 1HG LYS 18 HG2 LYS 18 3.950 -7.038 -1.538
142 2HG LYS 18 HG3 LYS 18 4.160 -5.259 -1.511
143 1HD LYS 18 HD2 LYS 18 6.029 -5.405 -3.093
144 2HD LYS 18 HD3 LYS 18 6.136 -7.188 -2.888
145 1HE LYS 18 HE2 LYS 18 5.042 -6.573 -5.067
146 2HE LYS 18 HE3 LYS 18 3.943 -7.525 -3.988
147 1HZ LYS 18 HZ1 LYS 18 3.916 -4.574 -4.338
148 2HZ LYS 18 HZ2 LYS 18 2.827 -5.687 -5.019
149 3HZ LYS 18 HZ3 LYS 18 2.887 -5.479 -3.335
150 H GLU 19 HN GLU 19 5.262 -4.972 2.992
151 HA GLU 19 HA GLU 19 6.860 -6.890 4.493
152 1HB GLU 19 HB2 GLU 19 7.380 -4.455 4.375
153 2HB GLU 19 HB3 GLU 19 5.897 -4.100 5.306
154 1HG GLU 19 HG2 GLU 19 6.836 -5.403 7.265
155 2HG GLU 19 HG3 GLU 19 8.282 -5.826 6.273
156 H LEU 20 HN LEU 20 3.487 -5.953 4.236
157 HA LEU 20 HA LEU 20 2.691 -7.014 6.842
158 1HB LEU 20 HB2 LEU 20 1.281 -5.440 4.620
159 2HB LEU 20 HB3 LEU 20 0.350 -6.166 6.010
160 HG LEU 20 HG LEU 20 2.451 -3.975 6.166
161 1HD1 LEU 20 HD13 LEU 20 0.299 -3.271 5.189
162 2HD1 LEU 20 HD11 LEU 20 -0.586 -3.929 6.616
163 3HD1 LEU 20 HD12 LEU 20 0.549 -2.541 6.819
164 1HD2 LEU 20 HD22 LEU 20 0.822 -5.290 8.436
165 2HD2 LEU 20 HD23 LEU 20 2.615 -5.350 8.234
166 3HD2 LEU 20 HD21 LEU 20 1.805 -3.785 8.588
167 H TYR 21 HN TYR 21 1.362 -7.236 3.515
168 HA TYR 21 HA TYR 21 0.016 -9.715 4.079
169 1HB TYR 21 HB2 TYR 21 -0.121 -7.716 1.744
170 2HB TYR 21 HB3 TYR 21 -1.085 -9.237 1.793
171 HD1 TYR 21 HD2 TYR 21 -0.527 -5.956 3.568
172 HD2 TYR 21 HD1 TYR 21 -2.987 -9.460 3.161
173 HE1 TYR 21 HE2 TYR 21 -2.258 -4.906 4.963
174 HE2 TYR 21 HE1 TYR 21 -4.751 -8.383 4.504
175 HH TYR 21 HH TYR 21 -4.314 -5.074 5.850
176 H GLY 22 HN GLY 22 2.843 -8.603 2.294
177 1HA GLY 22 HA1 GLY 22 4.544 -9.925 1.667
178 2HA GLY 22 HA2 GLY 22 3.461 -11.350 1.480
179 H SER 23 HN SER 23 4.385 -11.699 -0.599
180 HA SER 23 HA SER 23 4.283 -9.899 -2.756
181 1HB SER 23 HB2 SER 23 4.597 -12.953 -2.753
182 2HB SER 23 HB3 SER 23 4.965 -11.860 -4.148
183 HG SER 23 HG SER 23 6.151 -11.775 -1.581
184 H SER 24 HN SER 24 1.709 -11.526 -1.303
185 HA SER 24 HA SER 24 -0.051 -11.218 -3.642
186 1HB SER 24 HB2 SER 24 -0.125 -13.455 -2.475
187 2HB SER 24 HB3 SER 24 -0.620 -12.636 -0.959
188 HG SER 24 HG SER 24 -2.434 -11.850 -2.159
189 H ALA 25 HN ALA 25 0.569 -8.828 -3.267
190 HA ALA 25 HA ALA 25 -1.209 -7.567 -1.298
191 1HB ALA 25 HB1 ALA 25 1.691 -6.757 -2.018
192 2HB ALA 25 HB2 ALA 25 0.541 -5.679 -1.169
193 3HB ALA 25 HB3 ALA 25 1.050 -7.217 -0.399
194 H GLY 26 HN GLY 26 -2.656 -6.338 -2.316
195 1HA GLY 26 HA1 GLY 26 -2.167 -5.335 -5.044
196 2HA GLY 26 HA2 GLY 26 -3.720 -5.506 -4.139
197 H ALA 27 HN ALA 27 -0.682 -3.690 -4.417
198 HA ALA 27 HA ALA 27 -1.357 -1.899 -2.242
199 1HB ALA 27 HB1 ALA 27 1.148 -2.220 -4.000
200 2HB ALA 27 HB2 ALA 27 0.990 -1.075 -2.614
201 3HB ALA 27 HB3 ALA 27 0.914 -2.846 -2.337
202 H LYS 28 HN LYS 28 -2.615 -0.124 -2.703
203 HA LYS 28 HA LYS 28 -2.474 1.091 -5.393
204 1HB LYS 28 HB2 LYS 28 -4.869 0.890 -3.470
205 2HB LYS 28 HB3 LYS 28 -4.895 1.564 -5.149
206 1HG LYS 28 HG2 LYS 28 -4.163 -0.774 -5.937
207 2HG LYS 28 HG3 LYS 28 -4.502 -1.335 -4.253
208 1HD LYS 28 HD2 LYS 28 -6.875 -0.677 -4.477
209 2HD LYS 28 HD3 LYS 28 -6.551 0.084 -6.069
210 1HE LYS 28 HE2 LYS 28 -7.650 -2.146 -6.346
211 2HE LYS 28 HE3 LYS 28 -5.993 -2.130 -7.073
212 1HZ LYS 28 HZ3 LYS 28 -5.175 -3.221 -5.099
213 2HZ LYS 28 HZ1 LYS 28 -6.729 -3.237 -4.414
214 3HZ LYS 28 HZ2 LYS 28 -6.416 -4.121 -5.831
215 H CYS 29 HN CYS 29 -2.426 3.290 -5.448
216 HA CYS 29 HA CYS 29 -2.108 4.751 -2.894
217 1HB CYS 29 HB2 CYS 29 0.103 4.374 -4.009
218 2HB CYS 29 HB3 CYS 29 -0.502 5.149 -5.495
219 H MET 30 HN MET 30 -3.875 5.945 -2.698
220 HA MET 30 HA MET 30 -5.053 7.328 -5.017
221 1HB MET 30 HB2 MET 30 -6.367 6.158 -2.497
222 2HB MET 30 HB3 MET 30 -7.222 7.270 -3.611
223 1HG MET 30 HG2 MET 30 -6.107 4.490 -4.256
224 2HG MET 30 HG3 MET 30 -7.820 4.944 -4.035
225 1HE MET 30 HE2 MET 30 -9.251 6.324 -5.623
226 2HE MET 30 HE3 MET 30 -8.118 7.722 -5.639
227 3HE MET 30 HE1 MET 30 -8.722 7.039 -7.184
228 H ASN 31 HN ASN 31 -4.703 9.634 -4.750
229 HA ASN 31 HA ASN 31 -4.321 11.553 -4.000
230 1HB ASN 31 HB2 ASN 31 -5.043 12.546 -1.938
231 2HB ASN 31 HB3 ASN 31 -6.295 11.658 -2.837
232 1HD2 ASN 31 HD22 ASN 31 -7.236 9.563 -0.165
233 2HD2 ASN 31 HD21 ASN 31 -7.466 10.040 -1.815
234 H GLY 32 HN GLY 32 -3.286 10.020 -0.968
235 1HA GLY 32 HA1 GLY 32 -0.653 9.667 -1.708
236 2HA GLY 32 HA2 GLY 32 -0.814 11.216 -0.756
237 H LYS 33 HN LYS 33 -2.419 7.967 -0.725
238 HA LYS 33 HA LYS 33 -1.333 7.268 1.823
239 1HB LYS 33 HB2 LYS 33 -4.308 7.971 1.651
240 2HB LYS 33 HB3 LYS 33 -3.719 6.679 2.757
241 1HG LYS 33 HG2 LYS 33 -2.016 8.344 3.677
242 2HG LYS 33 HG3 LYS 33 -2.959 9.634 2.864
243 1HD LYS 33 HD2 LYS 33 -5.016 8.969 4.090
244 2HD LYS 33 HD3 LYS 33 -4.140 7.613 4.877
245 1HE LYS 33 HE2 LYS 33 -3.457 10.616 5.239
246 2HE LYS 33 HE3 LYS 33 -4.399 9.599 6.404
247 1HZ LYS 33 HZ3 LYS 33 -2.481 8.179 6.641
248 2HZ LYS 33 HZ1 LYS 33 -1.591 9.132 5.551
249 3HZ LYS 33 HZ2 LYS 33 -2.107 9.791 7.031
250 H CYS 34 HN CYS 34 -1.741 5.073 2.266
251 HA CYS 34 HA CYS 34 -1.668 3.565 -0.225
252 1HB CYS 34 HB2 CYS 34 0.388 3.816 1.094
253 2HB CYS 34 HB3 CYS 34 -0.436 3.261 2.571
254 H LYS 35 HN LYS 35 -2.769 1.667 -0.511
255 HA LYS 35 HA LYS 35 -4.536 0.644 1.622
256 1HB LYS 35 HB2 LYS 35 -4.969 0.835 -1.424
257 2HB LYS 35 HB3 LYS 35 -5.974 -0.157 -0.314
258 1HG LYS 35 HG2 LYS 35 -6.459 1.921 1.005
259 2HG LYS 35 HG3 LYS 35 -5.678 2.909 -0.277
260 1HD LYS 35 HD2 LYS 35 -8.024 0.968 -0.718
261 2HD LYS 35 HD3 LYS 35 -8.225 2.733 -0.395
262 1HE LYS 35 HE2 LYS 35 -6.920 3.250 -2.492
263 2HE LYS 35 HE3 LYS 35 -6.807 1.478 -2.844
264 1HZ LYS 35 HZ2 LYS 35 -9.314 3.043 -2.582
265 2HZ LYS 35 HZ3 LYS 35 -8.597 2.509 -4.026
266 3HZ LYS 35 HZ1 LYS 35 -9.197 1.380 -2.907
267 H CYS 36 HN CYS 36 -4.418 -1.555 1.925
268 HA CYS 36 HA CYS 36 -2.581 -3.113 0.188
269 1HB CYS 36 HB2 CYS 36 -2.880 -3.449 3.229
270 2HB CYS 36 HB3 CYS 36 -1.810 -4.405 2.045
271 H TYR 37 HN TYR 37 -3.871 -4.396 -0.975
272 HA TYR 37 HA TYR 37 -6.130 -5.791 0.252
273 1HB TYR 37 HB2 TYR 37 -5.349 -5.026 -2.641
274 2HB TYR 37 HB3 TYR 37 -6.710 -6.119 -2.240
275 HD1 TYR 37 HD2 TYR 37 -8.510 -5.280 -0.651
276 HD2 TYR 37 HD1 TYR 37 -5.694 -2.605 -2.515
277 HE1 TYR 37 HE2 TYR 37 -10.030 -3.385 -0.257
278 HE2 TYR 37 HE1 TYR 37 -7.241 -0.752 -2.237
279 HH TYR 37 HH TYR 37 -10.447 -1.226 -0.602
280 H ASN 38 HN ASN 38 -6.096 -7.892 -1.715
281 HA ASN 38 HA ASN 38 -3.505 -9.258 -1.363
282 1HB ASN 38 HB2 ASN 38 -6.314 -10.399 -0.759
283 2HB ASN 38 HB3 ASN 38 -4.868 -11.435 -1.071
284 1HD2 ASN 38 HD22 ASN 38 -5.357 -9.669 2.598
285 2HD2 ASN 38 HD21 ASN 38 -6.514 -9.463 1.324
286 H ASN 39 HN ASN 39 -2.922 -8.847 -3.498
287 HA ASN 39 HA ASN 39 -4.427 -10.348 -5.524
288 1HB ASN 39 HB2 ASN 39 -3.381 -7.462 -5.865
289 2HB ASN 39 HB3 ASN 39 -3.846 -8.552 -7.221
290 1HD2 ASN 39 HD22 ASN 39 -6.726 -6.419 -5.282
291 2HD2 ASN 39 HD21 ASN 39 -5.028 -6.166 -5.049
292 1H NH2 40 HT1 ASN 39 -1.216 -11.735 -5.886
293 2H NH2 40 HT2 ASN 39 -2.902 -11.987 -5.576
No H/Q in entry = 293
Start of MODEL 22
1 1H THR 1 HN2 THR 1 -8.456 -3.683 2.797
2 2H THR 1 HN THR 1 -6.892 -4.267 3.114
3 3H THR 1 HN3 THR 1 -8.213 -4.850 4.010
4 HA THR 1 HA THR 1 -8.592 -2.722 4.928
5 HB THR 1 HB THR 1 -7.115 -4.420 6.033
6 HG1 THR 1 HG1 THR 1 -6.219 -3.015 7.507
7 1HG2 THR 1 HG21 THR 1 -5.183 -4.386 4.433
8 2HG2 THR 1 HG22 THR 1 -4.751 -2.717 4.964
9 3HG2 THR 1 HG23 THR 1 -4.662 -4.083 6.125
10 H ILE 2 HN ILE 2 -7.632 -0.517 5.458
11 HA ILE 2 HA ILE 2 -6.128 0.709 3.260
12 HB ILE 2 HB ILE 2 -8.401 1.899 4.955
13 1HG1 ILE 2 HG12 ILE 2 -8.332 1.018 2.001
14 2HG1 ILE 2 HG13 ILE 2 -9.318 0.328 3.318
15 1HG2 ILE 2 HG22 ILE 2 -6.602 3.097 2.739
16 2HG2 ILE 2 HG23 ILE 2 -8.047 3.910 3.449
17 3HG2 ILE 2 HG21 ILE 2 -6.629 3.569 4.474
18 1HD1 ILE 2 HD12 ILE 2 -10.524 2.541 3.565
19 2HD1 ILE 2 HD13 ILE 2 -9.622 3.153 2.124
20 3HD1 ILE 2 HD11 ILE 2 -10.740 1.755 1.956
21 H ILE 3 HN ILE 3 -4.133 1.178 4.062
22 HA ILE 3 HA ILE 3 -3.735 1.502 6.961
23 HB ILE 3 HB ILE 3 -1.476 1.020 6.723
24 1HG1 ILE 3 HG12 ILE 3 -1.966 0.311 3.764
25 2HG1 ILE 3 HG13 ILE 3 -1.187 1.845 4.281
26 1HG2 ILE 3 HG23 ILE 3 -3.267 -0.710 7.142
27 2HG2 ILE 3 HG21 ILE 3 -3.268 -1.101 5.380
28 3HG2 ILE 3 HG22 ILE 3 -1.793 -1.383 6.365
29 1HD1 ILE 3 HD12 ILE 3 0.532 0.594 5.561
30 2HD1 ILE 3 HD13 ILE 3 -0.159 -0.972 4.999
31 3HD1 ILE 3 HD11 ILE 3 0.557 0.152 3.801
32 H ASN 4 HN ASN 4 -1.433 3.010 7.063
33 HA ASN 4 HA ASN 4 -2.134 5.584 5.824
34 1HB ASN 4 HB2 ASN 4 -1.732 6.726 8.046
35 2HB ASN 4 HB3 ASN 4 -3.246 5.796 7.902
36 1HD2 ASN 4 HD22 ASN 4 -2.512 3.398 10.438
37 2HD2 ASN 4 HD21 ASN 4 -3.484 3.752 9.049
38 H VAL 5 HN VAL 5 -0.429 4.755 4.384
39 HA VAL 5 HA VAL 5 2.151 5.816 5.291
40 HB VAL 5 HB VAL 5 1.616 3.325 3.591
41 1HG1 VAL 5 HG11 VAL 5 4.182 5.054 3.632
42 2HG1 VAL 5 HG12 VAL 5 4.121 3.343 3.076
43 3HG1 VAL 5 HG13 VAL 5 3.190 4.571 2.189
44 1HG2 VAL 5 HG21 VAL 5 3.389 3.928 6.049
45 2HG2 VAL 5 HG22 VAL 5 1.876 2.942 6.017
46 3HG2 VAL 5 HG23 VAL 5 3.349 2.360 5.167
47 H LYS 6 HN LYS 6 2.695 7.565 4.197
48 HA LYS 6 HA LYS 6 0.765 8.542 2.316
49 1HB LYS 6 HB2 LYS 6 3.222 10.075 3.290
50 2HB LYS 6 HB3 LYS 6 1.656 10.705 2.673
51 1HG LYS 6 HG2 LYS 6 2.216 9.260 5.338
52 2HG LYS 6 HG3 LYS 6 1.894 11.006 5.108
53 1HD LYS 6 HD2 LYS 6 -0.448 10.550 4.475
54 2HD LYS 6 HD3 LYS 6 -0.149 8.777 4.498
55 1HE LYS 6 HE2 LYS 6 0.433 8.906 6.959
56 2HE LYS 6 HE3 LYS 6 -0.035 10.657 6.946
57 1HZ LYS 6 HZ1 LYS 6 -2.235 9.987 6.224
58 2HZ LYS 6 HZ2 LYS 6 -1.781 8.350 6.255
59 3HZ LYS 6 HZ3 LYS 6 -1.809 9.251 7.695
60 H CYS 7 HN CYS 7 1.128 8.646 0.047
61 HA CYS 7 HA CYS 7 3.745 7.727 -0.977
62 1HB CYS 7 HB2 CYS 7 2.665 6.045 -2.322
63 2HB CYS 7 HB3 CYS 7 2.202 5.851 -0.573
64 H THR 8 HN THR 8 3.648 7.794 -3.462
65 HA THR 8 HA THR 8 1.999 9.775 -4.672
66 HB THR 8 HB THR 8 3.747 11.216 -3.634
67 HG1 THR 8 HG1 THR 8 3.928 11.039 -6.438
68 1HG2 THR 8 HG22 THR 8 5.643 9.553 -3.619
69 2HG2 THR 8 HG23 THR 8 5.791 9.711 -5.409
70 3HG2 THR 8 HG21 THR 8 6.095 11.131 -4.351
71 H SER 9 HN SER 9 2.589 6.848 -4.623
72 HA SER 9 HA SER 9 2.775 6.253 -7.317
73 1HB SER 9 HB2 SER 9 4.961 4.973 -7.373
74 2HB SER 9 HB3 SER 9 5.212 6.734 -7.117
75 HG SER 9 HG SER 9 5.450 6.364 -4.938
76 HA PRO 10 HA PRO 10 1.169 2.627 -5.016
77 1HB PRO 10 HB2 PRO 10 1.696 1.127 -7.634
78 2HB PRO 10 HB3 PRO 10 0.244 1.117 -6.560
79 1HG PRO 10 HG2 PRO 10 0.275 2.574 -8.882
80 2HG PRO 10 HG3 PRO 10 -0.422 3.307 -7.376
81 1HD PRO 10 HD2 PRO 10 2.414 3.684 -8.519
82 2HD PRO 10 HD3 PRO 10 1.215 4.947 -7.972
83 H LYS 11 HN LYS 11 4.337 2.619 -6.610
84 HA LYS 11 HA LYS 11 5.423 0.303 -5.421
85 1HB LYS 11 HB2 LYS 11 6.741 2.678 -6.826
86 2HB LYS 11 HB3 LYS 11 7.626 1.228 -6.234
87 1HG LYS 11 HG2 LYS 11 7.347 0.780 -8.469
88 2HG LYS 11 HG3 LYS 11 6.101 -0.223 -7.656
89 1HD LYS 11 HD2 LYS 11 4.356 1.499 -8.340
90 2HD LYS 11 HD3 LYS 11 5.653 2.442 -9.156
91 1HE LYS 11 HE2 LYS 11 6.074 0.473 -10.687
92 2HE LYS 11 HE3 LYS 11 4.786 -0.458 -9.812
93 1HZ LYS 11 HZ3 LYS 11 3.199 1.213 -10.487
94 2HZ LYS 11 HZ1 LYS 11 4.403 2.088 -11.304
95 3HZ LYS 11 HZ2 LYS 11 3.977 0.532 -11.835
96 H GLN 12 HN GLN 12 4.839 3.517 -4.080
97 HA GLN 12 HA GLN 12 6.788 3.344 -1.980
98 1HB GLN 12 HB2 GLN 12 6.341 5.501 -3.033
99 2HB GLN 12 HB3 GLN 12 4.637 5.350 -2.770
100 1HG GLN 12 HG2 GLN 12 5.787 6.974 -1.223
101 2HG GLN 12 HG3 GLN 12 5.046 5.654 -0.261
102 1HE2 GLN 12 HE22 GLN 12 9.224 5.746 -0.778
103 2HE2 GLN 12 HE21 GLN 12 8.181 6.343 -2.026
104 H CYS 13 HN CYS 13 3.721 2.045 -2.732
105 HA CYS 13 HA CYS 13 2.855 1.773 0.055
106 1HB CYS 13 HB2 CYS 13 1.295 2.982 -1.480
107 2HB CYS 13 HB3 CYS 13 1.363 1.648 -2.654
108 H SER 14 HN SER 14 4.351 0.082 -2.663
109 HA SER 14 HA SER 14 3.532 -2.569 -1.837
110 1HB SER 14 HB2 SER 14 5.615 -1.588 -3.889
111 2HB SER 14 HB3 SER 14 5.150 -3.315 -3.624
112 HG SER 14 HG SER 14 3.436 -1.213 -4.404
113 H LYS 15 HN LYS 15 5.582 -0.260 -0.512
114 HA LYS 15 HA LYS 15 7.688 -1.905 0.452
115 1HB LYS 15 HB2 LYS 15 6.762 0.977 0.603
116 2HB LYS 15 HB3 LYS 15 7.930 0.378 1.815
117 1HG LYS 15 HG2 LYS 15 9.494 -0.246 -0.037
118 2HG LYS 15 HG3 LYS 15 8.236 0.206 -1.242
119 1HD LYS 15 HD2 LYS 15 9.886 1.995 -1.127
120 2HD LYS 15 HD3 LYS 15 8.304 2.569 -0.506
121 1HE LYS 15 HE2 LYS 15 10.178 3.448 0.874
122 2HE LYS 15 HE3 LYS 15 9.146 2.347 1.866
123 1HZ LYS 15 HZ1 LYS 15 11.722 1.641 0.556
124 2HZ LYS 15 HZ2 LYS 15 11.473 1.953 2.207
125 3HZ LYS 15 HZ3 LYS 15 10.753 0.597 1.481
126 HA PRO 16 HA PRO 16 5.153 -1.763 4.530
127 1HB PRO 16 HB2 PRO 16 2.638 -0.601 4.636
128 2HB PRO 16 HB3 PRO 16 4.193 0.281 4.925
129 1HG PRO 16 HG2 PRO 16 2.594 -0.108 2.385
130 2HG PRO 16 HG3 PRO 16 3.072 1.490 3.080
131 1HD PRO 16 HD2 PRO 16 4.589 0.396 1.130
132 2HD PRO 16 HD3 PRO 16 5.444 1.054 2.557
133 H CYS 17 HN CYS 17 2.858 -2.122 1.689
134 HA CYS 17 HA CYS 17 1.317 -4.100 2.806
135 1HB CYS 17 HB2 CYS 17 1.661 -3.454 -0.171
136 2HB CYS 17 HB3 CYS 17 0.336 -4.435 0.550
137 H LYS 18 HN LYS 18 4.369 -4.414 0.810
138 HA LYS 18 HA LYS 18 4.054 -7.314 0.663
139 1HB LYS 18 HB2 LYS 18 6.278 -5.517 -0.367
140 2HB LYS 18 HB3 LYS 18 6.199 -7.304 -0.552
141 1HG LYS 18 HG2 LYS 18 3.958 -7.051 -1.692
142 2HG LYS 18 HG3 LYS 18 4.154 -5.268 -1.575
143 1HD LYS 18 HD2 LYS 18 4.766 -5.908 -3.811
144 2HD LYS 18 HD3 LYS 18 6.283 -5.462 -2.953
145 1HE LYS 18 HE2 LYS 18 6.806 -7.925 -2.637
146 2HE LYS 18 HE3 LYS 18 5.257 -8.345 -3.477
147 1HZ LYS 18 HZ2 LYS 18 6.082 -7.226 -5.432
148 2HZ LYS 18 HZ3 LYS 18 7.532 -6.830 -4.644
149 3HZ LYS 18 HZ1 LYS 18 7.142 -8.457 -4.935
150 H GLU 19 HN GLU 19 5.254 -5.016 2.913
151 HA GLU 19 HA GLU 19 6.910 -6.931 4.354
152 1HB GLU 19 HB2 GLU 19 7.416 -4.499 4.285
153 2HB GLU 19 HB3 GLU 19 5.930 -4.164 5.220
154 1HG GLU 19 HG2 GLU 19 6.877 -5.485 7.163
155 2HG GLU 19 HG3 GLU 19 8.323 -5.891 6.164
156 H LEU 20 HN LEU 20 3.544 -6.019 4.154
157 HA LEU 20 HA LEU 20 2.722 -7.236 6.669
158 1HB LEU 20 HB2 LEU 20 1.296 -5.717 4.416
159 2HB LEU 20 HB3 LEU 20 0.359 -6.542 5.737
160 HG LEU 20 HG LEU 20 2.253 -4.194 6.023
161 1HD1 LEU 20 HD11 LEU 20 0.046 -3.676 5.050
162 2HD1 LEU 20 HD12 LEU 20 -0.776 -4.450 6.455
163 3HD1 LEU 20 HD13 LEU 20 0.221 -2.965 6.697
164 1HD2 LEU 20 HD22 LEU 20 0.748 -5.731 8.236
165 2HD2 LEU 20 HD23 LEU 20 2.539 -5.594 8.056
166 3HD2 LEU 20 HD21 LEU 20 1.562 -4.135 8.444
167 H TYR 21 HN TYR 21 1.716 -7.533 3.216
168 HA TYR 21 HA TYR 21 0.470 -10.090 3.727
169 1HB TYR 21 HB2 TYR 21 0.178 -8.017 1.477
170 2HB TYR 21 HB3 TYR 21 -0.693 -9.596 1.501
171 HD1 TYR 21 HD2 TYR 21 -2.319 -10.131 3.160
172 HD2 TYR 21 HD1 TYR 21 -0.474 -6.242 3.167
173 HE1 TYR 21 HE2 TYR 21 -4.099 -9.294 4.644
174 HE2 TYR 21 HE1 TYR 21 -2.249 -5.408 4.656
175 HH TYR 21 HH TYR 21 -4.133 -5.897 5.799
176 H GLY 22 HN GLY 22 3.457 -8.996 2.422
177 1HA GLY 22 HA1 GLY 22 5.119 -10.422 2.137
178 2HA GLY 22 HA2 GLY 22 4.012 -11.757 1.696
179 H SER 23 HN SER 23 2.952 -11.566 -0.454
180 HA SER 23 HA SER 23 4.409 -10.188 -2.548
181 1HB SER 23 HB2 SER 23 4.291 -13.278 -2.387
182 2HB SER 23 HB3 SER 23 4.782 -12.341 -3.853
183 HG SER 23 HG SER 23 6.517 -13.066 -2.644
184 H SER 24 HN SER 24 1.664 -11.390 -1.012
185 HA SER 24 HA SER 24 -0.029 -11.304 -3.422
186 1HB SER 24 HB2 SER 24 -0.073 -13.438 -2.063
187 2HB SER 24 HB3 SER 24 -0.650 -12.507 -0.645
188 HG SER 24 HG SER 24 -2.441 -11.893 -1.973
189 H ALA 25 HN ALA 25 0.641 -8.894 -3.150
190 HA ALA 25 HA ALA 25 -1.111 -7.486 -1.241
191 1HB ALA 25 HB2 ALA 25 1.723 -6.734 -2.217
192 2HB ALA 25 HB3 ALA 25 0.657 -5.673 -1.238
193 3HB ALA 25 HB1 ALA 25 1.259 -7.224 -0.553
194 H GLY 26 HN GLY 26 -2.651 -6.347 -2.291
195 1HA GLY 26 HA1 GLY 26 -2.201 -5.402 -5.046
196 2HA GLY 26 HA2 GLY 26 -3.749 -5.594 -4.131
197 H ALA 27 HN ALA 27 -0.698 -3.766 -4.353
198 HA ALA 27 HA ALA 27 -1.462 -1.975 -2.213
199 1HB ALA 27 HB3 ALA 27 1.128 -2.281 -3.852
200 2HB ALA 27 HB1 ALA 27 0.902 -1.186 -2.435
201 3HB ALA 27 HB2 ALA 27 0.804 -2.966 -2.227
202 H LYS 28 HN LYS 28 -2.616 -0.159 -2.669
203 HA LYS 28 HA LYS 28 -2.410 1.080 -5.341
204 1HB LYS 28 HB2 LYS 28 -4.742 0.820 -3.348
205 2HB LYS 28 HB3 LYS 28 -4.846 1.753 -4.900
206 1HG LYS 28 HG2 LYS 28 -4.439 -1.236 -4.486
207 2HG LYS 28 HG3 LYS 28 -5.943 -0.411 -5.023
208 1HD LYS 28 HD2 LYS 28 -3.311 -0.587 -6.653
209 2HD LYS 28 HD3 LYS 28 -4.758 -1.616 -6.848
210 1HE LYS 28 HE2 LYS 28 -4.902 -0.015 -8.605
211 2HE LYS 28 HE3 LYS 28 -6.121 0.517 -7.379
212 1HZ LYS 28 HZ3 LYS 28 -3.383 1.624 -7.767
213 2HZ LYS 28 HZ1 LYS 28 -4.846 2.338 -8.255
214 3HZ LYS 28 HZ2 LYS 28 -4.506 2.138 -6.601
215 H CYS 29 HN CYS 29 -2.544 3.254 -5.420
216 HA CYS 29 HA CYS 29 -2.197 4.786 -2.914
217 1HB CYS 29 HB2 CYS 29 0.063 4.378 -3.932
218 2HB CYS 29 HB3 CYS 29 -0.483 5.118 -5.458
219 H MET 30 HN MET 30 -3.918 6.069 -2.834
220 HA MET 30 HA MET 30 -4.830 7.514 -5.234
221 1HB MET 30 HB2 MET 30 -6.476 6.328 -2.937
222 2HB MET 30 HB3 MET 30 -7.112 7.631 -3.989
223 1HG MET 30 HG2 MET 30 -6.742 6.211 -6.007
224 2HG MET 30 HG3 MET 30 -6.155 4.888 -4.960
225 1HE MET 30 HE3 MET 30 -9.114 7.032 -6.250
226 2HE MET 30 HE1 MET 30 -10.533 6.501 -5.286
227 3HE MET 30 HE2 MET 30 -9.249 7.486 -4.515
228 H ASN 31 HN ASN 31 -4.353 9.797 -4.864
229 HA ASN 31 HA ASN 31 -4.288 11.728 -3.938
230 1HB ASN 31 HB2 ASN 31 -5.103 10.594 -1.206
231 2HB ASN 31 HB3 ASN 31 -4.949 12.331 -1.645
232 1HD2 ASN 31 HD22 ASN 31 -8.422 10.399 -2.396
233 2HD2 ASN 31 HD21 ASN 31 -7.167 9.795 -1.367
234 H GLY 32 HN GLY 32 -3.205 10.071 -1.011
235 1HA GLY 32 HA1 GLY 32 -0.614 9.602 -1.746
236 2HA GLY 32 HA2 GLY 32 -0.674 11.170 -0.813
237 H LYS 33 HN LYS 33 -2.396 7.978 -0.754
238 HA LYS 33 HA LYS 33 -1.363 7.309 1.853
239 1HB LYS 33 HB2 LYS 33 -4.394 7.739 1.506
240 2HB LYS 33 HB3 LYS 33 -3.638 6.784 2.835
241 1HG LYS 33 HG2 LYS 33 -2.294 8.869 3.451
242 2HG LYS 33 HG3 LYS 33 -3.338 9.776 2.306
243 1HD LYS 33 HD2 LYS 33 -5.392 8.895 3.583
244 2HD LYS 33 HD3 LYS 33 -4.254 8.265 4.822
245 1HE LYS 33 HE2 LYS 33 -5.147 10.452 5.556
246 2HE LYS 33 HE3 LYS 33 -3.392 10.653 5.167
247 1HZ LYS 33 HZ2 LYS 33 -5.675 11.347 3.395
248 2HZ LYS 33 HZ3 LYS 33 -4.719 12.429 4.291
249 3HZ LYS 33 HZ1 LYS 33 -4.027 11.532 3.024
250 H CYS 34 HN CYS 34 -1.719 5.096 2.276
251 HA CYS 34 HA CYS 34 -1.651 3.557 -0.199
252 1HB CYS 34 HB2 CYS 34 0.411 3.811 1.095
253 2HB CYS 34 HB3 CYS 34 -0.403 3.292 2.592
254 H LYS 35 HN LYS 35 -2.814 1.694 -0.492
255 HA LYS 35 HA LYS 35 -4.512 0.651 1.696
256 1HB LYS 35 HB2 LYS 35 -4.955 0.876 -1.337
257 2HB LYS 35 HB3 LYS 35 -5.954 -0.179 -0.276
258 1HG LYS 35 HG2 LYS 35 -6.642 1.749 1.057
259 2HG LYS 35 HG3 LYS 35 -5.663 2.871 0.070
260 1HD LYS 35 HD2 LYS 35 -7.981 1.132 -0.976
261 2HD LYS 35 HD3 LYS 35 -8.124 2.868 -0.501
262 1HE LYS 35 HE2 LYS 35 -6.606 1.652 -2.888
263 2HE LYS 35 HE3 LYS 35 -7.977 2.818 -2.916
264 1HZ LYS 35 HZ1 LYS 35 -5.236 3.351 -1.889
265 2HZ LYS 35 HZ2 LYS 35 -5.883 3.874 -3.370
266 3HZ LYS 35 HZ3 LYS 35 -6.525 4.456 -1.910
267 H CYS 36 HN CYS 36 -4.345 -1.553 2.033
268 HA CYS 36 HA CYS 36 -2.562 -3.114 0.243
269 1HB CYS 36 HB2 CYS 36 -2.929 -3.564 3.263
270 2HB CYS 36 HB3 CYS 36 -1.857 -4.491 2.062
271 H TYR 37 HN TYR 37 -3.729 -4.551 -0.897
272 HA TYR 37 HA TYR 37 -6.073 -5.829 0.316
273 1HB TYR 37 HB2 TYR 37 -5.360 -4.999 -2.581
274 2HB TYR 37 HB3 TYR 37 -6.723 -6.069 -2.164
275 HD1 TYR 37 HD1 TYR 37 -8.304 -5.143 -0.223
276 HD2 TYR 37 HD2 TYR 37 -5.817 -2.614 -2.680
277 HE1 TYR 37 HE1 TYR 37 -9.757 -3.210 0.264
278 HE2 TYR 37 HE2 TYR 37 -7.311 -0.737 -2.282
279 HH TYR 37 HH TYR 37 -10.223 -1.092 -0.147
280 H ASN 38 HN ASN 38 -6.210 -7.929 -1.508
281 HA ASN 38 HA ASN 38 -3.659 -9.396 -1.165
282 1HB ASN 38 HB2 ASN 38 -6.541 -10.356 -0.604
283 2HB ASN 38 HB3 ASN 38 -5.145 -11.476 -0.834
284 1HD2 ASN 38 HD22 ASN 38 -5.580 -9.421 2.720
285 2HD2 ASN 38 HD21 ASN 38 -6.633 -9.113 1.380
286 H ASN 39 HN ASN 39 -3.087 -8.878 -3.331
287 HA ASN 39 HA ASN 39 -4.543 -10.448 -5.350
288 1HB ASN 39 HB2 ASN 39 -3.530 -7.556 -5.722
289 2HB ASN 39 HB3 ASN 39 -4.009 -8.664 -7.058
290 1HD2 ASN 39 HD22 ASN 39 -6.868 -6.529 -5.082
291 2HD2 ASN 39 HD21 ASN 39 -5.168 -6.269 -4.874
292 1H NH2 40 HT1 ASN 39 -1.292 -11.797 -5.569
293 2H NH2 40 HT2 ASN 39 -2.961 -12.066 -5.189
No H/Q in entry = 293
Start of MODEL 23
1 1H THR 1 HN3 THR 1 -7.250 -2.459 6.385
2 2H THR 1 HN2 THR 1 -8.840 -2.323 5.799
3 3H THR 1 HN THR 1 -8.231 -3.842 6.261
4 HA THR 1 HA THR 1 -6.633 -3.785 4.556
5 HB THR 1 HB THR 1 -8.923 -4.771 4.282
6 HG1 THR 1 HG1 THR 1 -7.717 -3.829 1.921
7 1HG2 THR 1 HG23 THR 1 -10.221 -2.588 4.190
8 2HG2 THR 1 HG21 THR 1 -9.544 -2.280 2.546
9 3HG2 THR 1 HG22 THR 1 -10.590 -3.710 2.833
10 H ILE 2 HN ILE 2 -7.534 -0.696 5.407
11 HA ILE 2 HA ILE 2 -6.093 0.553 3.183
12 HB ILE 2 HB ILE 2 -8.437 1.671 4.829
13 1HG1 ILE 2 HG12 ILE 2 -8.238 0.827 1.871
14 2HG1 ILE 2 HG13 ILE 2 -9.240 0.087 3.149
15 1HG2 ILE 2 HG22 ILE 2 -6.591 2.973 2.709
16 2HG2 ILE 2 HG23 ILE 2 -8.110 3.713 3.338
17 3HG2 ILE 2 HG21 ILE 2 -6.741 3.427 4.440
18 1HD1 ILE 2 HD13 ILE 2 -10.541 2.245 3.375
19 2HD1 ILE 2 HD11 ILE 2 -9.618 2.908 1.970
20 3HD1 ILE 2 HD12 ILE 2 -10.671 1.468 1.753
21 H ILE 3 HN ILE 3 -4.148 1.182 3.969
22 HA ILE 3 HA ILE 3 -3.776 1.533 6.876
23 HB ILE 3 HB ILE 3 -1.495 1.134 6.652
24 1HG1 ILE 3 HG12 ILE 3 -1.968 0.383 3.698
25 2HG1 ILE 3 HG13 ILE 3 -1.220 1.935 4.212
26 1HG2 ILE 3 HG22 ILE 3 -3.219 -0.651 7.104
27 2HG2 ILE 3 HG23 ILE 3 -3.210 -1.079 5.351
28 3HG2 ILE 3 HG21 ILE 3 -1.723 -1.282 6.340
29 1HD1 ILE 3 HD12 ILE 3 0.510 0.704 5.513
30 2HD1 ILE 3 HD13 ILE 3 -0.137 -0.866 4.908
31 3HD1 ILE 3 HD11 ILE 3 0.564 0.306 3.743
32 H ASN 4 HN ASN 4 -1.611 3.114 7.071
33 HA ASN 4 HA ASN 4 -2.322 5.667 5.756
34 1HB ASN 4 HB2 ASN 4 -1.678 5.195 8.744
35 2HB ASN 4 HB3 ASN 4 -1.869 6.810 7.960
36 1HD2 ASN 4 HD22 ASN 4 -5.470 6.470 7.485
37 2HD2 ASN 4 HD21 ASN 4 -4.051 7.054 6.680
38 H VAL 5 HN VAL 5 -0.594 4.978 4.270
39 HA VAL 5 HA VAL 5 2.015 5.865 5.274
40 HB VAL 5 HB VAL 5 1.429 3.450 3.493
41 1HG1 VAL 5 HG12 VAL 5 4.047 5.096 3.592
42 2HG1 VAL 5 HG13 VAL 5 3.939 3.402 2.995
43 3HG1 VAL 5 HG11 VAL 5 3.053 4.675 2.131
44 1HG2 VAL 5 HG21 VAL 5 3.196 3.943 5.978
45 2HG2 VAL 5 HG22 VAL 5 1.656 3.003 5.911
46 3HG2 VAL 5 HG23 VAL 5 3.119 2.399 5.061
47 H LYS 6 HN LYS 6 2.615 7.640 4.319
48 HA LYS 6 HA LYS 6 1.003 8.815 2.300
49 1HB LYS 6 HB2 LYS 6 3.611 9.827 3.587
50 2HB LYS 6 HB3 LYS 6 2.477 10.812 2.601
51 1HG LYS 6 HG2 LYS 6 1.874 9.495 5.325
52 2HG LYS 6 HG3 LYS 6 2.306 11.213 5.056
53 1HD LYS 6 HD2 LYS 6 -0.222 9.835 3.957
54 2HD LYS 6 HD3 LYS 6 -0.127 10.832 5.446
55 1HE LYS 6 HE2 LYS 6 0.537 12.843 4.111
56 2HE LYS 6 HE3 LYS 6 0.449 11.870 2.586
57 1HZ LYS 6 HZ1 LYS 6 -1.792 12.376 4.469
58 2HZ LYS 6 HZ2 LYS 6 -1.539 13.126 2.966
59 3HZ LYS 6 HZ3 LYS 6 -1.869 11.462 3.039
60 H CYS 7 HN CYS 7 1.587 9.180 0.077
61 HA CYS 7 HA CYS 7 4.067 7.902 -0.896
62 1HB CYS 7 HB2 CYS 7 2.965 6.286 -2.174
63 2HB CYS 7 HB3 CYS 7 2.144 6.249 -0.558
64 H THR 8 HN THR 8 3.965 7.953 -3.371
65 HA THR 8 HA THR 8 2.468 10.082 -4.574
66 HB THR 8 HB THR 8 4.513 11.255 -3.766
67 HG1 THR 8 HG1 THR 8 3.485 11.904 -5.642
68 1HG2 THR 8 HG22 THR 8 6.120 9.313 -3.867
69 2HG2 THR 8 HG23 THR 8 6.102 9.397 -5.668
70 3HG2 THR 8 HG21 THR 8 6.731 10.779 -4.709
71 H SER 9 HN SER 9 2.751 7.019 -4.423
72 HA SER 9 HA SER 9 2.529 6.372 -7.103
73 1HB SER 9 HB2 SER 9 4.602 4.906 -7.399
74 2HB SER 9 HB3 SER 9 4.993 6.650 -7.256
75 HG SER 9 HG SER 9 5.180 4.790 -5.169
76 HA PRO 10 HA PRO 10 1.099 2.619 -4.885
77 1HB PRO 10 HB2 PRO 10 1.559 1.300 -7.612
78 2HB PRO 10 HB3 PRO 10 0.164 1.157 -6.471
79 1HG PRO 10 HG2 PRO 10 0.017 2.753 -8.696
80 2HG PRO 10 HG3 PRO 10 -0.619 3.377 -7.114
81 1HD PRO 10 HD2 PRO 10 2.147 3.899 -8.372
82 2HD PRO 10 HD3 PRO 10 0.938 5.097 -7.710
83 H LYS 11 HN LYS 11 4.192 2.757 -6.648
84 HA LYS 11 HA LYS 11 5.365 0.406 -5.640
85 1HB LYS 11 HB2 LYS 11 6.606 2.902 -6.900
86 2HB LYS 11 HB3 LYS 11 7.527 1.423 -6.448
87 1HG LYS 11 HG2 LYS 11 7.186 1.145 -8.702
88 2HG LYS 11 HG3 LYS 11 5.976 0.065 -7.934
89 1HD LYS 11 HD2 LYS 11 4.195 1.815 -8.426
90 2HD LYS 11 HD3 LYS 11 5.457 2.832 -9.209
91 1HE LYS 11 HE2 LYS 11 5.845 0.987 -10.898
92 2HE LYS 11 HE3 LYS 11 4.591 -0.018 -10.057
93 1HZ LYS 11 HZ1 LYS 11 2.973 1.685 -10.554
94 2HZ LYS 11 HZ2 LYS 11 4.145 2.628 -11.341
95 3HZ LYS 11 HZ3 LYS 11 3.712 1.113 -11.972
96 H GLN 12 HN GLN 12 4.819 3.546 -4.123
97 HA GLN 12 HA GLN 12 6.801 3.270 -2.064
98 1HB GLN 12 HB2 GLN 12 6.463 5.454 -3.101
99 2HB GLN 12 HB3 GLN 12 4.738 5.346 -2.892
100 1HG GLN 12 HG2 GLN 12 5.807 6.966 -1.379
101 2HG GLN 12 HG3 GLN 12 5.076 5.660 -0.382
102 1HE2 GLN 12 HE22 GLN 12 8.204 6.022 1.332
103 2HE2 GLN 12 HE21 GLN 12 6.545 6.534 1.254
104 H CYS 13 HN CYS 13 3.739 2.021 -2.798
105 HA CYS 13 HA CYS 13 2.835 1.787 -0.017
106 1HB CYS 13 HB2 CYS 13 1.283 2.947 -1.610
107 2HB CYS 13 HB3 CYS 13 1.371 1.587 -2.743
108 H SER 14 HN SER 14 4.368 0.059 -2.694
109 HA SER 14 HA SER 14 3.519 -2.583 -1.880
110 1HB SER 14 HB2 SER 14 5.654 -1.599 -3.881
111 2HB SER 14 HB3 SER 14 5.174 -3.325 -3.641
112 HG SER 14 HG SER 14 3.488 -1.204 -4.441
113 H LYS 15 HN LYS 15 5.582 -0.281 -0.545
114 HA LYS 15 HA LYS 15 7.659 -1.934 0.466
115 1HB LYS 15 HB2 LYS 15 6.761 0.957 0.566
116 2HB LYS 15 HB3 LYS 15 7.907 0.363 1.799
117 1HG LYS 15 HG2 LYS 15 9.488 -0.304 -0.026
118 2HG LYS 15 HG3 LYS 15 8.248 0.152 -1.252
119 1HD LYS 15 HD2 LYS 15 9.909 1.914 -1.135
120 2HD LYS 15 HD3 LYS 15 8.339 2.522 -0.502
121 1HE LYS 15 HE2 LYS 15 9.187 2.275 1.861
122 2HE LYS 15 HE3 LYS 15 10.752 1.620 1.225
123 1HZ LYS 15 HZ3 LYS 15 9.622 4.315 0.678
124 2HZ LYS 15 HZ1 LYS 15 10.880 3.945 1.757
125 3HZ LYS 15 HZ2 LYS 15 11.095 3.706 0.090
126 HA PRO 16 HA PRO 16 5.102 -1.677 4.532
127 1HB PRO 16 HB2 PRO 16 2.600 -0.492 4.600
128 2HB PRO 16 HB3 PRO 16 4.160 0.388 4.864
129 1HG PRO 16 HG2 PRO 16 2.565 -0.065 2.331
130 2HG PRO 16 HG3 PRO 16 3.041 1.549 2.983
131 1HD PRO 16 HD2 PRO 16 4.573 0.404 1.076
132 2HD PRO 16 HD3 PRO 16 5.421 1.087 2.493
133 H CYS 17 HN CYS 17 2.831 -2.090 1.685
134 HA CYS 17 HA CYS 17 1.260 -4.035 2.810
135 1HB CYS 17 HB2 CYS 17 1.697 -3.509 -0.184
136 2HB CYS 17 HB3 CYS 17 0.345 -4.447 0.545
137 H LYS 18 HN LYS 18 4.345 -4.401 0.885
138 HA LYS 18 HA LYS 18 4.067 -7.300 0.851
139 1HB LYS 18 HB2 LYS 18 6.255 -5.508 -0.254
140 2HB LYS 18 HB3 LYS 18 6.225 -7.309 -0.363
141 1HG LYS 18 HG2 LYS 18 3.983 -7.186 -1.456
142 2HG LYS 18 HG3 LYS 18 4.111 -5.389 -1.466
143 1HD LYS 18 HD2 LYS 18 6.182 -5.561 -2.882
144 2HD LYS 18 HD3 LYS 18 6.034 -7.352 -2.890
145 1HE LYS 18 HE2 LYS 18 3.942 -5.370 -4.044
146 2HE LYS 18 HE3 LYS 18 5.150 -6.314 -5.009
147 1HZ LYS 18 HZ1 LYS 18 4.131 -8.335 -4.205
148 2HZ LYS 18 HZ2 LYS 18 2.997 -7.449 -3.302
149 3HZ LYS 18 HZ3 LYS 18 3.001 -7.346 -4.999
150 H GLU 19 HN GLU 19 5.154 -4.959 3.060
151 HA GLU 19 HA GLU 19 6.803 -6.845 4.568
152 1HB GLU 19 HB2 GLU 19 7.302 -4.379 4.466
153 2HB GLU 19 HB3 GLU 19 5.815 -4.062 5.392
154 1HG GLU 19 HG2 GLU 19 7.797 -3.982 6.850
155 2HG GLU 19 HG3 GLU 19 6.754 -5.357 7.345
156 H LEU 20 HN LEU 20 3.452 -5.959 4.250
157 HA LEU 20 HA LEU 20 2.574 -7.068 6.801
158 1HB LEU 20 HB2 LEU 20 1.221 -5.596 4.480
159 2HB LEU 20 HB3 LEU 20 0.235 -6.368 5.800
160 HG LEU 20 HG LEU 20 2.192 -4.065 6.083
161 1HD1 LEU 20 HD11 LEU 20 0.058 -3.489 4.995
162 2HD1 LEU 20 HD12 LEU 20 -0.863 -4.202 6.371
163 3HD1 LEU 20 HD13 LEU 20 0.175 -2.748 6.633
164 1HD2 LEU 20 HD21 LEU 20 0.527 -5.477 8.268
165 2HD2 LEU 20 HD22 LEU 20 2.329 -5.418 8.166
166 3HD2 LEU 20 HD23 LEU 20 1.398 -3.911 8.467
167 H TYR 21 HN TYR 21 1.583 -7.463 3.357
168 HA TYR 21 HA TYR 21 0.316 -9.994 3.903
169 1HB TYR 21 HB2 TYR 21 0.213 -8.051 1.520
170 2HB TYR 21 HB3 TYR 21 -0.666 -9.621 1.551
171 HD1 TYR 21 HD2 TYR 21 -0.432 -6.267 3.271
172 HD2 TYR 21 HD1 TYR 21 -2.616 -9.947 2.809
173 HE1 TYR 21 HE2 TYR 21 -2.318 -5.311 4.524
174 HE2 TYR 21 HE1 TYR 21 -4.537 -8.957 3.993
175 HH TYR 21 HH TYR 21 -5.359 -7.143 5.052
176 H GLY 22 HN GLY 22 3.335 -8.883 2.547
177 1HA GLY 22 HA1 GLY 22 5.057 -10.289 2.534
178 2HA GLY 22 HA2 GLY 22 4.022 -11.694 2.135
179 H SER 23 HN SER 23 2.982 -11.547 -0.113
180 HA SER 23 HA SER 23 4.838 -10.570 -2.159
181 1HB SER 23 HB2 SER 23 4.781 -12.928 -3.203
182 2HB SER 23 HB3 SER 23 5.775 -12.757 -1.717
183 HG SER 23 HG SER 23 3.132 -13.753 -1.822
184 H SER 24 HN SER 24 1.835 -11.999 -1.078
185 HA SER 24 HA SER 24 0.331 -11.326 -3.481
186 1HB SER 24 HB2 SER 24 0.067 -13.544 -2.331
187 2HB SER 24 HB3 SER 24 -0.584 -12.713 -0.884
188 HG SER 24 HG SER 24 -2.226 -11.890 -2.290
189 H ALA 25 HN ALA 25 0.827 -8.919 -3.126
190 HA ALA 25 HA ALA 25 -0.962 -7.649 -1.160
191 1HB ALA 25 HB2 ALA 25 1.867 -6.770 -2.070
192 2HB ALA 25 HB3 ALA 25 0.768 -5.796 -1.047
193 3HB ALA 25 HB1 ALA 25 1.419 -7.357 -0.435
194 H GLY 26 HN GLY 26 -2.553 -6.604 -2.262
195 1HA GLY 26 HA1 GLY 26 -2.101 -5.608 -4.986
196 2HA GLY 26 HA2 GLY 26 -3.637 -5.809 -4.058
197 H ALA 27 HN ALA 27 -0.638 -3.905 -4.371
198 HA ALA 27 HA ALA 27 -1.395 -2.045 -2.291
199 1HB ALA 27 HB3 ALA 27 1.127 -2.307 -4.037
200 2HB ALA 27 HB1 ALA 27 0.910 -1.131 -2.682
201 3HB ALA 27 HB2 ALA 27 0.917 -2.896 -2.357
202 H LYS 28 HN LYS 28 -2.628 -0.285 -2.761
203 HA LYS 28 HA LYS 28 -2.585 0.899 -5.466
204 1HB LYS 28 HB2 LYS 28 -4.960 0.676 -3.500
205 2HB LYS 28 HB3 LYS 28 -5.012 1.306 -5.200
206 1HG LYS 28 HG2 LYS 28 -4.254 -1.053 -5.902
207 2HG LYS 28 HG3 LYS 28 -4.570 -1.538 -4.187
208 1HD LYS 28 HD2 LYS 28 -6.953 -0.735 -4.437
209 2HD LYS 28 HD3 LYS 28 -6.636 -0.351 -6.161
210 1HE LYS 28 HE2 LYS 28 -6.443 -3.170 -4.876
211 2HE LYS 28 HE3 LYS 28 -7.810 -2.559 -5.894
212 1HZ LYS 28 HZ2 LYS 28 -4.982 -2.868 -6.759
213 2HZ LYS 28 HZ3 LYS 28 -6.278 -3.900 -7.139
214 3HZ LYS 28 HZ1 LYS 28 -6.268 -2.301 -7.714
215 H CYS 29 HN CYS 29 -2.601 3.195 -5.397
216 HA CYS 29 HA CYS 29 -2.551 4.405 -2.718
217 1HB CYS 29 HB2 CYS 29 -0.132 3.741 -3.840
218 2HB CYS 29 HB3 CYS 29 -0.299 5.401 -4.447
219 H MET 30 HN MET 30 -4.037 5.862 -2.725
220 HA MET 30 HA MET 30 -4.767 7.275 -5.199
221 1HB MET 30 HB2 MET 30 -6.456 6.555 -2.731
222 2HB MET 30 HB3 MET 30 -7.040 7.483 -4.156
223 1HG MET 30 HG2 MET 30 -6.076 4.568 -4.106
224 2HG MET 30 HG3 MET 30 -7.768 5.139 -4.185
225 1HE MET 30 HE3 MET 30 -6.353 2.978 -5.976
226 2HE MET 30 HE1 MET 30 -8.091 3.428 -6.067
227 3HE MET 30 HE2 MET 30 -7.108 3.331 -7.569
228 H ASN 31 HN ASN 31 -4.126 9.539 -5.046
229 HA ASN 31 HA ASN 31 -3.897 11.547 -4.329
230 1HB ASN 31 HB2 ASN 31 -4.993 10.810 -1.561
231 2HB ASN 31 HB3 ASN 31 -4.651 12.467 -2.174
232 1HD2 ASN 31 HD22 ASN 31 -8.227 10.754 -2.981
233 2HD2 ASN 31 HD21 ASN 31 -7.104 10.168 -1.799
234 H GLY 32 HN GLY 32 -3.140 10.178 -1.151
235 1HA GLY 32 HA1 GLY 32 -0.423 9.683 -1.686
236 2HA GLY 32 HA2 GLY 32 -0.682 11.213 -0.739
237 H LYS 33 HN LYS 33 -2.502 8.056 -0.799
238 HA LYS 33 HA LYS 33 -1.393 7.258 1.735
239 1HB LYS 33 HB2 LYS 33 -4.340 8.056 1.581
240 2HB LYS 33 HB3 LYS 33 -3.787 6.747 2.687
241 1HG LYS 33 HG2 LYS 33 -2.009 8.360 3.583
242 2HG LYS 33 HG3 LYS 33 -2.929 9.677 2.791
243 1HD LYS 33 HD2 LYS 33 -4.979 9.094 4.047
244 2HD LYS 33 HD3 LYS 33 -4.161 7.683 4.799
245 1HE LYS 33 HE2 LYS 33 -3.308 10.636 5.203
246 2HE LYS 33 HE3 LYS 33 -4.310 9.664 6.357
247 1HZ LYS 33 HZ3 LYS 33 -2.486 8.123 6.568
248 2HZ LYS 33 HZ1 LYS 33 -1.540 9.032 5.489
249 3HZ LYS 33 HZ2 LYS 33 -2.009 9.701 6.978
250 H CYS 34 HN CYS 34 -1.809 5.091 2.179
251 HA CYS 34 HA CYS 34 -1.793 3.562 -0.299
252 1HB CYS 34 HB2 CYS 34 0.284 3.854 0.978
253 2HB CYS 34 HB3 CYS 34 -0.511 3.321 2.478
254 H LYS 35 HN LYS 35 -2.726 1.488 -0.463
255 HA LYS 35 HA LYS 35 -4.569 0.575 1.625
256 1HB LYS 35 HB2 LYS 35 -4.976 0.806 -1.430
257 2HB LYS 35 HB3 LYS 35 -5.982 -0.235 -0.365
258 1HG LYS 35 HG2 LYS 35 -6.567 1.769 0.988
259 2HG LYS 35 HG3 LYS 35 -5.744 2.833 -0.202
260 1HD LYS 35 HD2 LYS 35 -8.014 0.876 -0.903
261 2HD LYS 35 HD3 LYS 35 -8.296 2.593 -0.427
262 1HE LYS 35 HE2 LYS 35 -6.927 3.362 -2.394
263 2HE LYS 35 HE3 LYS 35 -6.701 1.639 -2.901
264 1HZ LYS 35 HZ2 LYS 35 -9.298 3.051 -2.637
265 2HZ LYS 35 HZ3 LYS 35 -8.478 2.693 -4.082
266 3HZ LYS 35 HZ1 LYS 35 -9.075 1.434 -3.110
267 H CYS 36 HN CYS 36 -4.402 -1.614 1.958
268 HA CYS 36 HA CYS 36 -2.560 -3.166 0.224
269 1HB CYS 36 HB2 CYS 36 -2.838 -3.467 3.268
270 2HB CYS 36 HB3 CYS 36 -1.750 -4.410 2.091
271 H TYR 37 HN TYR 37 -3.760 -4.548 -0.898
272 HA TYR 37 HA TYR 37 -5.993 -5.971 0.351
273 1HB TYR 37 HB2 TYR 37 -5.301 -5.167 -2.559
274 2HB TYR 37 HB3 TYR 37 -6.632 -6.275 -2.124
275 HD1 TYR 37 HD1 TYR 37 -8.362 -5.436 -0.405
276 HD2 TYR 37 HD2 TYR 37 -5.724 -2.776 -2.528
277 HE1 TYR 37 HE1 TYR 37 -9.885 -3.554 0.040
278 HE2 TYR 37 HE2 TYR 37 -7.279 -0.930 -2.181
279 HH TYR 37 HH TYR 37 -9.249 -0.265 -1.225
280 H ASN 38 HN ASN 38 -5.744 -7.848 -1.997
281 HA ASN 38 HA ASN 38 -3.172 -9.202 -1.556
282 1HB ASN 38 HB2 ASN 38 -5.990 -10.483 -1.469
283 2HB ASN 38 HB3 ASN 38 -4.484 -11.435 -1.743
284 1HD2 ASN 38 HD22 ASN 38 -3.355 -11.388 1.610
285 2HD2 ASN 38 HD21 ASN 38 -2.960 -11.707 -0.046
286 H ASN 39 HN ASN 39 -2.588 -10.474 -3.454
287 HA ASN 39 HA ASN 39 -3.726 -9.532 -5.970
288 1HB ASN 39 HB2 ASN 39 -1.393 -11.428 -5.304
289 2HB ASN 39 HB3 ASN 39 -1.946 -11.050 -6.980
290 1HD2 ASN 39 HD22 ASN 39 0.921 -8.755 -5.727
291 2HD2 ASN 39 HD21 ASN 39 0.669 -10.454 -5.502
292 1H NH2 40 HT1 ASN 39 -5.793 -12.309 -6.626
293 2H NH2 40 HT2 ASN 39 -5.409 -10.639 -6.887
No H/Q in entry = 293
Start of MODEL 24
1 1H THR 1 HN3 THR 1 -8.494 -3.653 2.723
2 2H THR 1 HN2 THR 1 -6.923 -4.222 3.027
3 3H THR 1 HN THR 1 -8.226 -4.789 3.960
4 HA THR 1 HA THR 1 -8.597 -2.639 4.831
5 HB THR 1 HB THR 1 -7.091 -4.307 5.948
6 HG1 THR 1 HG1 THR 1 -7.669 -2.400 6.964
7 1HG2 THR 1 HG23 THR 1 -5.186 -4.284 4.313
8 2HG2 THR 1 HG21 THR 1 -4.760 -2.605 4.809
9 3HG2 THR 1 HG22 THR 1 -4.641 -3.950 5.991
10 H ILE 2 HN ILE 2 -7.633 -0.422 5.294
11 HA ILE 2 HA ILE 2 -6.135 0.749 3.064
12 HB ILE 2 HB ILE 2 -8.472 1.943 4.663
13 1HG1 ILE 2 HG12 ILE 2 -8.252 1.036 1.722
14 2HG1 ILE 2 HG13 ILE 2 -9.286 0.339 2.997
15 1HG2 ILE 2 HG21 ILE 2 -6.606 3.163 2.516
16 2HG2 ILE 2 HG22 ILE 2 -8.098 3.948 3.156
17 3HG2 ILE 2 HG23 ILE 2 -6.721 3.648 4.245
18 1HD1 ILE 2 HD12 ILE 2 -10.547 2.529 3.167
19 2HD1 ILE 2 HD13 ILE 2 -9.591 3.147 1.763
20 3HD1 ILE 2 HD11 ILE 2 -10.671 1.724 1.558
21 H ILE 3 HN ILE 3 -4.149 1.204 3.888
22 HA ILE 3 HA ILE 3 -3.796 1.592 6.780
23 HB ILE 3 HB ILE 3 -1.543 1.097 6.589
24 1HG1 ILE 3 HG12 ILE 3 -1.965 0.397 3.616
25 2HG1 ILE 3 HG13 ILE 3 -1.184 1.921 4.163
26 1HG2 ILE 3 HG22 ILE 3 -3.353 -0.634 6.958
27 2HG2 ILE 3 HG23 ILE 3 -3.298 -1.026 5.196
28 3HG2 ILE 3 HG21 ILE 3 -1.857 -1.307 6.229
29 1HD1 ILE 3 HD12 ILE 3 0.482 0.638 5.488
30 2HD1 ILE 3 HD13 ILE 3 -0.198 -0.911 4.870
31 3HD1 ILE 3 HD11 ILE 3 0.563 0.237 3.720
32 H ASN 4 HN ASN 4 -1.603 3.106 7.043
33 HA ASN 4 HA ASN 4 -2.236 5.688 5.735
34 1HB ASN 4 HB2 ASN 4 -1.588 5.211 8.719
35 2HB ASN 4 HB3 ASN 4 -1.830 6.817 7.925
36 1HD2 ASN 4 HD22 ASN 4 -5.434 6.320 7.467
37 2HD2 ASN 4 HD21 ASN 4 -4.049 6.914 6.613
38 H VAL 5 HN VAL 5 -0.505 4.956 4.255
39 HA VAL 5 HA VAL 5 2.111 5.814 5.275
40 HB VAL 5 HB VAL 5 1.518 3.429 3.442
41 1HG1 VAL 5 HG11 VAL 5 4.169 4.999 3.736
42 2HG1 VAL 5 HG12 VAL 5 4.047 3.330 3.072
43 3HG1 VAL 5 HG13 VAL 5 3.246 4.660 2.211
44 1HG2 VAL 5 HG23 VAL 5 3.164 3.803 6.029
45 2HG2 VAL 5 HG21 VAL 5 1.610 2.902 5.852
46 3HG2 VAL 5 HG22 VAL 5 3.100 2.290 5.060
47 H LYS 6 HN LYS 6 2.757 7.571 4.272
48 HA LYS 6 HA LYS 6 1.145 8.789 2.291
49 1HB LYS 6 HB2 LYS 6 3.848 9.629 3.510
50 2HB LYS 6 HB3 LYS 6 2.808 10.692 2.494
51 1HG LYS 6 HG2 LYS 6 1.980 9.516 5.224
52 2HG LYS 6 HG3 LYS 6 2.708 11.132 4.942
53 1HD LYS 6 HD2 LYS 6 0.793 11.691 3.388
54 2HD LYS 6 HD3 LYS 6 -0.008 10.153 3.879
55 1HE LYS 6 HE2 LYS 6 -0.106 10.929 6.251
56 2HE LYS 6 HE3 LYS 6 0.811 12.431 5.818
57 1HZ LYS 6 HZ2 LYS 6 -0.990 13.047 4.358
58 2HZ LYS 6 HZ3 LYS 6 -1.857 11.647 4.771
59 3HZ LYS 6 HZ1 LYS 6 -1.533 12.825 5.952
60 H CYS 7 HN CYS 7 1.688 9.220 0.058
61 HA CYS 7 HA CYS 7 4.086 7.938 -1.059
62 1HB CYS 7 HB2 CYS 7 2.940 6.331 -2.328
63 2HB CYS 7 HB3 CYS 7 2.240 6.221 -0.664
64 H THR 8 HN THR 8 3.762 8.040 -3.599
65 HA THR 8 HA THR 8 1.969 9.958 -4.608
66 HB THR 8 HB THR 8 3.800 11.508 -3.963
67 HG1 THR 8 HG1 THR 8 3.548 11.142 -6.743
68 1HG2 THR 8 HG23 THR 8 5.741 9.921 -4.134
69 2HG2 THR 8 HG21 THR 8 5.598 9.932 -5.932
70 3HG2 THR 8 HG22 THR 8 6.005 11.444 -5.050
71 H SER 9 HN SER 9 2.464 7.065 -4.532
72 HA SER 9 HA SER 9 2.458 6.331 -7.200
73 1HB SER 9 HB2 SER 9 4.655 5.053 -7.354
74 2HB SER 9 HB3 SER 9 4.903 6.824 -7.198
75 HG SER 9 HG SER 9 5.111 4.997 -5.093
76 HA PRO 10 HA PRO 10 1.122 2.595 -4.904
77 1HB PRO 10 HB2 PRO 10 1.674 1.256 -7.608
78 2HB PRO 10 HB3 PRO 10 0.285 1.045 -6.469
79 1HG PRO 10 HG2 PRO 10 0.047 2.616 -8.698
80 2HG PRO 10 HG3 PRO 10 -0.605 3.227 -7.117
81 1HD PRO 10 HD2 PRO 10 2.119 3.866 -8.408
82 2HD PRO 10 HD3 PRO 10 0.866 5.010 -7.734
83 H LYS 11 HN LYS 11 4.287 2.804 -6.570
84 HA LYS 11 HA LYS 11 5.399 0.527 -5.177
85 1HB LYS 11 HB2 LYS 11 6.746 2.644 -6.928
86 2HB LYS 11 HB3 LYS 11 7.505 1.122 -6.331
87 1HG LYS 11 HG2 LYS 11 5.116 1.325 -8.264
88 2HG LYS 11 HG3 LYS 11 6.822 0.960 -8.684
89 1HD LYS 11 HD2 LYS 11 6.722 -1.126 -7.293
90 2HD LYS 11 HD3 LYS 11 4.993 -0.785 -6.915
91 1HE LYS 11 HE2 LYS 11 4.417 -0.930 -9.358
92 2HE LYS 11 HE3 LYS 11 6.149 -1.293 -9.741
93 1HZ LYS 11 HZ3 LYS 11 4.356 -2.912 -8.007
94 2HZ LYS 11 HZ1 LYS 11 4.817 -3.271 -9.602
95 3HZ LYS 11 HZ2 LYS 11 5.981 -3.254 -8.364
96 H GLN 12 HN GLN 12 4.495 3.475 -3.914
97 HA GLN 12 HA GLN 12 6.614 3.423 -1.898
98 1HB GLN 12 HB2 GLN 12 6.461 5.509 -3.200
99 2HB GLN 12 HB3 GLN 12 4.805 5.719 -2.745
100 1HG GLN 12 HG2 GLN 12 5.567 6.011 -0.308
101 2HG GLN 12 HG3 GLN 12 7.238 5.530 -0.794
102 1HE2 GLN 12 HE22 GLN 12 7.262 9.233 -0.554
103 2HE2 GLN 12 HE21 GLN 12 7.094 7.871 0.503
104 H CYS 13 HN CYS 13 4.299 1.670 -2.501
105 HA CYS 13 HA CYS 13 2.928 1.744 0.078
106 1HB CYS 13 HB2 CYS 13 1.451 2.991 -1.535
107 2HB CYS 13 HB3 CYS 13 1.554 1.668 -2.707
108 H SER 14 HN SER 14 4.412 -0.127 -2.623
109 HA SER 14 HA SER 14 3.320 -2.624 -1.716
110 1HB SER 14 HB2 SER 14 3.725 -1.907 -4.163
111 2HB SER 14 HB3 SER 14 5.479 -2.105 -3.853
112 HG SER 14 HG SER 14 4.468 -3.940 -4.727
113 H LYS 15 HN LYS 15 5.599 -0.503 -0.504
114 HA LYS 15 HA LYS 15 7.567 -2.327 0.461
115 1HB LYS 15 HB2 LYS 15 7.031 0.631 0.400
116 2HB LYS 15 HB3 LYS 15 7.978 0.025 1.787
117 1HG LYS 15 HG2 LYS 15 9.473 0.779 0.064
118 2HG LYS 15 HG3 LYS 15 9.639 -1.005 0.226
119 1HD LYS 15 HD2 LYS 15 8.297 -1.344 -1.833
120 2HD LYS 15 HD3 LYS 15 7.959 0.421 -1.928
121 1HE LYS 15 HE2 LYS 15 10.406 0.872 -2.312
122 2HE LYS 15 HE3 LYS 15 10.748 -0.905 -2.199
123 1HZ LYS 15 HZ3 LYS 15 8.986 0.420 -4.195
124 2HZ LYS 15 HZ1 LYS 15 10.561 -0.158 -4.460
125 3HZ LYS 15 HZ2 LYS 15 9.309 -1.244 -4.091
126 HA PRO 16 HA PRO 16 5.091 -1.795 4.563
127 1HB PRO 16 HB2 PRO 16 2.626 -0.517 4.577
128 2HB PRO 16 HB3 PRO 16 4.217 0.301 4.863
129 1HG PRO 16 HG2 PRO 16 2.656 -0.130 2.305
130 2HG PRO 16 HG3 PRO 16 3.170 1.480 2.947
131 1HD PRO 16 HD2 PRO 16 4.702 0.295 1.092
132 2HD PRO 16 HD3 PRO 16 5.545 0.923 2.544
133 H CYS 17 HN CYS 17 2.851 -2.204 1.694
134 HA CYS 17 HA CYS 17 1.224 -4.106 2.832
135 1HB CYS 17 HB2 CYS 17 1.712 -3.602 -0.156
136 2HB CYS 17 HB3 CYS 17 0.341 -4.529 0.550
137 H LYS 18 HN LYS 18 4.350 -4.551 1.023
138 HA LYS 18 HA LYS 18 4.041 -7.454 1.020
139 1HB LYS 18 HB2 LYS 18 6.253 -5.652 -0.035
140 2HB LYS 18 HB3 LYS 18 6.328 -7.458 -0.029
141 1HG LYS 18 HG2 LYS 18 4.027 -7.409 -1.182
142 2HG LYS 18 HG3 LYS 18 4.344 -5.672 -1.490
143 1HD LYS 18 HD2 LYS 18 6.005 -8.121 -2.411
144 2HD LYS 18 HD3 LYS 18 4.956 -7.091 -3.448
145 1HE LYS 18 HE2 LYS 18 6.522 -5.134 -3.062
146 2HE LYS 18 HE3 LYS 18 7.589 -6.202 -2.063
147 1HZ LYS 18 HZ2 LYS 18 6.878 -6.609 -4.918
148 2HZ LYS 18 HZ3 LYS 18 8.349 -6.014 -4.312
149 3HZ LYS 18 HZ1 LYS 18 7.878 -7.612 -3.980
150 H GLU 19 HN GLU 19 5.075 -5.064 3.188
151 HA GLU 19 HA GLU 19 6.689 -6.876 4.823
152 1HB GLU 19 HB2 GLU 19 7.206 -4.450 4.635
153 2HB GLU 19 HB3 GLU 19 5.683 -4.063 5.487
154 1HG GLU 19 HG2 GLU 19 6.542 -5.276 7.537
155 2HG GLU 19 HG3 GLU 19 8.028 -5.737 6.624
156 H LEU 20 HN LEU 20 3.352 -5.992 4.382
157 HA LEU 20 HA LEU 20 2.387 -7.074 6.910
158 1HB LEU 20 HB2 LEU 20 1.101 -5.653 4.514
159 2HB LEU 20 HB3 LEU 20 0.086 -6.411 5.814
160 HG LEU 20 HG LEU 20 1.965 -4.051 6.084
161 1HD1 LEU 20 HD13 LEU 20 -0.213 -3.600 5.011
162 2HD1 LEU 20 HD11 LEU 20 -1.076 -4.314 6.424
163 3HD1 LEU 20 HD12 LEU 20 -0.096 -2.811 6.628
164 1HD2 LEU 20 HD22 LEU 20 0.393 -5.501 8.311
165 2HD2 LEU 20 HD23 LEU 20 2.189 -5.348 8.190
166 3HD2 LEU 20 HD21 LEU 20 1.183 -3.888 8.473
167 H TYR 21 HN TYR 21 1.566 -7.535 3.422
168 HA TYR 21 HA TYR 21 0.291 -10.065 3.998
169 1HB TYR 21 HB2 TYR 21 0.117 -8.103 1.638
170 2HB TYR 21 HB3 TYR 21 -0.744 -9.686 1.688
171 HD1 TYR 21 HD1 TYR 21 -2.491 -10.140 3.220
172 HD2 TYR 21 HD2 TYR 21 -0.620 -6.266 3.235
173 HE1 TYR 21 HE1 TYR 21 -4.358 -9.252 4.559
174 HE2 TYR 21 HE2 TYR 21 -2.478 -5.379 4.589
175 HH TYR 21 HH TYR 21 -5.219 -7.481 5.612
176 H GLY 22 HN GLY 22 3.355 -9.061 2.814
177 1HA GLY 22 HA1 GLY 22 5.002 -10.536 2.682
178 2HA GLY 22 HA2 GLY 22 3.899 -11.857 2.191
179 H SER 23 HN SER 23 3.017 -11.725 -0.039
180 HA SER 23 HA SER 23 4.629 -10.369 -2.037
181 1HB SER 23 HB2 SER 23 4.466 -13.456 -1.857
182 2HB SER 23 HB3 SER 23 5.080 -12.535 -3.288
183 HG SER 23 HG SER 23 6.658 -11.660 -1.921
184 H SER 24 HN SER 24 1.781 -11.674 -0.710
185 HA SER 24 HA SER 24 0.253 -11.531 -3.222
186 1HB SER 24 HB2 SER 24 0.114 -13.671 -1.893
187 2HB SER 24 HB3 SER 24 -0.545 -12.755 -0.502
188 HG SER 24 HG SER 24 -2.251 -12.119 -1.928
189 H ALA 25 HN ALA 25 0.790 -9.106 -2.975
190 HA ALA 25 HA ALA 25 -0.978 -7.729 -1.060
191 1HB ALA 25 HB1 ALA 25 1.857 -6.969 -2.038
192 2HB ALA 25 HB2 ALA 25 0.793 -5.909 -1.052
193 3HB ALA 25 HB3 ALA 25 1.397 -7.462 -0.374
194 H GLY 26 HN GLY 26 -2.460 -6.468 -2.058
195 1HA GLY 26 HA1 GLY 26 -2.041 -5.597 -4.846
196 2HA GLY 26 HA2 GLY 26 -3.581 -5.758 -3.918
197 H ALA 27 HN ALA 27 -0.583 -3.903 -4.342
198 HA ALA 27 HA ALA 27 -1.288 -1.990 -2.274
199 1HB ALA 27 HB1 ALA 27 1.219 -2.312 -4.045
200 2HB ALA 27 HB2 ALA 27 1.017 -1.089 -2.733
201 3HB ALA 27 HB3 ALA 27 1.029 -2.840 -2.341
202 H LYS 28 HN LYS 28 -2.476 -0.223 -2.763
203 HA LYS 28 HA LYS 28 -2.489 0.883 -5.496
204 1HB LYS 28 HB2 LYS 28 -4.886 0.607 -3.564
205 2HB LYS 28 HB3 LYS 28 -4.936 1.177 -5.285
206 1HG LYS 28 HG2 LYS 28 -4.080 -1.189 -5.879
207 2HG LYS 28 HG3 LYS 28 -4.405 -1.609 -4.150
208 1HD LYS 28 HD2 LYS 28 -6.812 -0.934 -4.466
209 2HD LYS 28 HD3 LYS 28 -6.488 -0.588 -6.197
210 1HE LYS 28 HE2 LYS 28 -6.178 -3.357 -4.828
211 2HE LYS 28 HE3 LYS 28 -7.562 -2.841 -5.874
212 1HZ LYS 28 HZ3 LYS 28 -4.715 -3.035 -6.704
213 2HZ LYS 28 HZ1 LYS 28 -5.951 -4.142 -7.066
214 3HZ LYS 28 HZ2 LYS 28 -6.017 -2.563 -7.688
215 H CYS 29 HN CYS 29 -2.577 3.202 -5.424
216 HA CYS 29 HA CYS 29 -2.532 4.386 -2.727
217 1HB CYS 29 HB2 CYS 29 -0.127 3.699 -3.875
218 2HB CYS 29 HB3 CYS 29 -0.273 5.369 -4.457
219 H MET 30 HN MET 30 -3.984 5.906 -2.720
220 HA MET 30 HA MET 30 -4.652 7.366 -5.188
221 1HB MET 30 HB2 MET 30 -6.342 6.646 -2.733
222 2HB MET 30 HB3 MET 30 -6.864 7.793 -4.017
223 1HG MET 30 HG2 MET 30 -6.547 5.944 -5.719
224 2HG MET 30 HG3 MET 30 -6.194 4.821 -4.373
225 1HE MET 30 HE3 MET 30 -8.759 6.922 -6.365
226 2HE MET 30 HE1 MET 30 -10.282 6.838 -5.418
227 3HE MET 30 HE2 MET 30 -8.908 7.818 -4.812
228 H ASN 31 HN ASN 31 -3.822 9.568 -5.051
229 HA ASN 31 HA ASN 31 -3.560 11.583 -4.368
230 1HB ASN 31 HB2 ASN 31 -4.773 10.935 -1.626
231 2HB ASN 31 HB3 ASN 31 -4.365 12.568 -2.260
232 1HD2 ASN 31 HD22 ASN 31 -7.954 10.931 -3.163
233 2HD2 ASN 31 HD21 ASN 31 -6.891 10.340 -1.930
234 H GLY 32 HN GLY 32 -2.954 10.269 -1.135
235 1HA GLY 32 HA1 GLY 32 -0.217 9.739 -1.566
236 2HA GLY 32 HA2 GLY 32 -0.508 11.275 -0.640
237 H LYS 33 HN LYS 33 -2.353 8.139 -0.748
238 HA LYS 33 HA LYS 33 -1.260 7.290 1.766
239 1HB LYS 33 HB2 LYS 33 -4.228 8.024 1.640
240 2HB LYS 33 HB3 LYS 33 -3.587 6.776 2.766
241 1HG LYS 33 HG2 LYS 33 -1.865 8.529 3.563
242 2HG LYS 33 HG3 LYS 33 -2.939 9.747 2.799
243 1HD LYS 33 HD2 LYS 33 -4.878 8.914 4.158
244 2HD LYS 33 HD3 LYS 33 -3.805 7.684 4.920
245 1HE LYS 33 HE2 LYS 33 -2.390 9.519 5.909
246 2HE LYS 33 HE3 LYS 33 -3.474 10.755 5.144
247 1HZ LYS 33 HZ2 LYS 33 -4.286 8.711 7.143
248 2HZ LYS 33 HZ3 LYS 33 -4.019 10.364 7.435
249 3HZ LYS 33 HZ1 LYS 33 -5.297 9.874 6.428
250 H CYS 34 HN CYS 34 -1.744 5.103 2.189
251 HA CYS 34 HA CYS 34 -1.727 3.609 -0.310
252 1HB CYS 34 HB2 CYS 34 0.339 3.839 1.001
253 2HB CYS 34 HB3 CYS 34 -0.486 3.292 2.479
254 H LYS 35 HN LYS 35 -2.606 1.480 -0.455
255 HA LYS 35 HA LYS 35 -4.527 0.603 1.570
256 1HB LYS 35 HB2 LYS 35 -4.849 0.811 -1.499
257 2HB LYS 35 HB3 LYS 35 -5.890 -0.215 -0.455
258 1HG LYS 35 HG2 LYS 35 -6.467 1.834 0.871
259 2HG LYS 35 HG3 LYS 35 -5.664 2.856 -0.371
260 1HD LYS 35 HD2 LYS 35 -7.906 0.835 -0.953
261 2HD LYS 35 HD3 LYS 35 -8.223 2.567 -0.564
262 1HE LYS 35 HE2 LYS 35 -6.958 3.276 -2.610
263 2HE LYS 35 HE3 LYS 35 -6.609 1.542 -2.994
264 1HZ LYS 35 HZ2 LYS 35 -8.958 1.140 -3.158
265 2HZ LYS 35 HZ3 LYS 35 -9.302 2.764 -2.799
266 3HZ LYS 35 HZ1 LYS 35 -8.469 2.368 -4.224
267 H CYS 36 HN CYS 36 -4.425 -1.613 1.869
268 HA CYS 36 HA CYS 36 -2.571 -3.177 0.160
269 1HB CYS 36 HB2 CYS 36 -2.905 -3.537 3.196
270 2HB CYS 36 HB3 CYS 36 -1.818 -4.477 2.019
271 H TYR 37 HN TYR 37 -3.524 -4.895 -0.767
272 HA TYR 37 HA TYR 37 -5.949 -6.052 0.394
273 1HB TYR 37 HB2 TYR 37 -5.188 -5.235 -2.498
274 2HB TYR 37 HB3 TYR 37 -6.545 -6.331 -2.120
275 HD1 TYR 37 HD1 TYR 37 -8.248 -5.456 -0.304
276 HD2 TYR 37 HD2 TYR 37 -5.619 -2.858 -2.522
277 HE1 TYR 37 HE1 TYR 37 -9.742 -3.542 0.138
278 HE2 TYR 37 HE2 TYR 37 -7.153 -0.994 -2.184
279 HH TYR 37 HH TYR 37 -9.107 -0.298 -1.213
280 H ASN 38 HN ASN 38 -5.926 -8.073 -1.699
281 HA ASN 38 HA ASN 38 -3.408 -9.538 -1.254
282 1HB ASN 38 HB2 ASN 38 -6.287 -10.552 -0.792
283 2HB ASN 38 HB3 ASN 38 -4.907 -11.672 -1.099
284 1HD2 ASN 38 HD22 ASN 38 -3.332 -11.295 2.051
285 2HD2 ASN 38 HD21 ASN 38 -3.143 -11.784 0.401
286 H ASN 39 HN ASN 39 -2.792 -8.901 -3.380
287 HA ASN 39 HA ASN 39 -4.304 -10.248 -5.553
288 1HB ASN 39 HB2 ASN 39 -2.390 -7.841 -5.692
289 2HB ASN 39 HB3 ASN 39 -2.986 -8.775 -7.115
290 1HD2 ASN 39 HD22 ASN 39 -5.116 -5.751 -6.895
291 2HD2 ASN 39 HD21 ASN 39 -3.450 -6.128 -7.184
292 1H NH2 40 HT1 ASN 39 -3.332 -12.282 -5.379
293 2H NH2 40 HT2 ASN 39 -1.622 -12.545 -5.466
No H/Q in entry = 293
Start of MODEL 25
1 1H THR 1 HN2 THR 1 -8.522 -3.656 2.634
2 2H THR 1 HN THR 1 -6.930 -4.216 2.823
3 3H THR 1 HN3 THR 1 -8.166 -4.823 3.818
4 HA THR 1 HA THR 1 -8.499 -2.698 4.774
5 HB THR 1 HB THR 1 -6.417 -2.505 6.141
6 HG1 THR 1 HG1 THR 1 -4.927 -2.938 4.469
7 1HG2 THR 1 HG23 THR 1 -8.168 -4.240 6.597
8 2HG2 THR 1 HG21 THR 1 -7.289 -5.411 5.544
9 3HG2 THR 1 HG22 THR 1 -6.515 -4.796 7.048
10 H ILE 2 HN ILE 2 -7.568 -0.519 5.291
11 HA ILE 2 HA ILE 2 -6.196 0.802 3.068
12 HB ILE 2 HB ILE 2 -8.507 1.870 4.797
13 1HG1 ILE 2 HG12 ILE 2 -8.419 1.067 1.822
14 2HG1 ILE 2 HG13 ILE 2 -9.358 0.285 3.125
15 1HG2 ILE 2 HG22 ILE 2 -6.799 3.176 2.572
16 2HG2 ILE 2 HG23 ILE 2 -8.256 3.919 3.333
17 3HG2 ILE 2 HG21 ILE 2 -6.801 3.618 4.319
18 1HD1 ILE 2 HD11 ILE 2 -10.675 2.423 3.449
19 2HD1 ILE 2 HD12 ILE 2 -9.821 3.125 2.020
20 3HD1 ILE 2 HD13 ILE 2 -10.865 1.676 1.818
21 H ILE 3 HN ILE 3 -4.186 1.229 3.887
22 HA ILE 3 HA ILE 3 -3.816 1.516 6.789
23 HB ILE 3 HB ILE 3 -1.582 0.997 6.589
24 1HG1 ILE 3 HG12 ILE 3 -1.942 0.397 3.593
25 2HG1 ILE 3 HG13 ILE 3 -1.221 1.933 4.181
26 1HG2 ILE 3 HG23 ILE 3 -3.384 -0.743 6.868
27 2HG2 ILE 3 HG21 ILE 3 -3.352 -1.044 5.089
28 3HG2 ILE 3 HG22 ILE 3 -1.900 -1.389 6.088
29 1HD1 ILE 3 HD13 ILE 3 0.473 0.700 5.501
30 2HD1 ILE 3 HD11 ILE 3 -0.150 -0.872 4.880
31 3HD1 ILE 3 HD12 ILE 3 0.578 0.301 3.735
32 H ASN 4 HN ASN 4 -1.636 2.988 7.125
33 HA ASN 4 HA ASN 4 -2.271 5.643 5.976
34 1HB ASN 4 HB2 ASN 4 -1.539 4.940 8.893
35 2HB ASN 4 HB3 ASN 4 -1.764 6.608 8.237
36 1HD2 ASN 4 HD21 ASN 4 -4.001 6.885 7.015
37 2HD2 ASN 4 HD22 ASN 4 -5.384 6.244 7.840
38 H VAL 5 HN VAL 5 -0.572 4.887 4.401
39 HA VAL 5 HA VAL 5 2.053 5.800 5.340
40 HB VAL 5 HB VAL 5 1.435 3.365 3.591
41 1HG1 VAL 5 HG12 VAL 5 4.029 5.053 3.595
42 2HG1 VAL 5 HG13 VAL 5 3.956 3.339 3.060
43 3HG1 VAL 5 HG11 VAL 5 3.016 4.554 2.170
44 1HG2 VAL 5 HG22 VAL 5 3.263 3.890 6.027
45 2HG2 VAL 5 HG23 VAL 5 1.726 2.941 6.008
46 3HG2 VAL 5 HG21 VAL 5 3.169 2.338 5.124
47 H LYS 6 HN LYS 6 2.672 7.543 4.290
48 HA LYS 6 HA LYS 6 0.925 8.662 2.332
49 1HB LYS 6 HB2 LYS 6 3.444 9.754 3.702
50 2HB LYS 6 HB3 LYS 6 2.537 10.667 2.446
51 1HG LYS 6 HG2 LYS 6 1.940 11.512 4.571
52 2HG LYS 6 HG3 LYS 6 0.508 10.717 3.834
53 1HD LYS 6 HD2 LYS 6 0.674 8.836 5.346
54 2HD LYS 6 HD3 LYS 6 2.310 9.345 5.912
55 1HE LYS 6 HE2 LYS 6 1.320 11.396 6.980
56 2HE LYS 6 HE3 LYS 6 -0.328 10.889 6.424
57 1HZ LYS 6 HZ1 LYS 6 1.458 9.355 8.242
58 2HZ LYS 6 HZ2 LYS 6 0.100 10.270 8.693
59 3HZ LYS 6 HZ3 LYS 6 -0.092 8.887 7.727
60 H CYS 7 HN CYS 7 1.518 9.195 0.137
61 HA CYS 7 HA CYS 7 3.941 7.916 -0.943
62 1HB CYS 7 HB2 CYS 7 2.823 6.285 -2.207
63 2HB CYS 7 HB3 CYS 7 2.047 6.221 -0.567
64 H THR 8 HN THR 8 3.738 7.972 -3.444
65 HA THR 8 HA THR 8 2.070 9.946 -4.592
66 HB THR 8 HB THR 8 3.927 11.406 -3.806
67 HG1 THR 8 HG1 THR 8 2.824 11.882 -5.691
68 1HG2 THR 8 HG22 THR 8 5.793 9.713 -3.875
69 2HG2 THR 8 HG23 THR 8 5.773 9.769 -5.678
70 3HG2 THR 8 HG21 THR 8 6.194 11.238 -4.735
71 H SER 9 HN SER 9 2.529 7.004 -4.471
72 HA SER 9 HA SER 9 2.537 6.321 -7.149
73 1HB SER 9 HB2 SER 9 4.693 4.971 -7.301
74 2HB SER 9 HB3 SER 9 4.987 6.733 -7.135
75 HG SER 9 HG SER 9 5.349 6.446 -4.955
76 HA PRO 10 HA PRO 10 1.107 2.575 -4.927
77 1HB PRO 10 HB2 PRO 10 1.583 1.242 -7.633
78 2HB PRO 10 HB3 PRO 10 0.183 1.111 -6.498
79 1HG PRO 10 HG2 PRO 10 0.045 2.692 -8.732
80 2HG PRO 10 HG3 PRO 10 -0.604 3.316 -7.156
81 1HD PRO 10 HD2 PRO 10 2.159 3.863 -8.405
82 2HD PRO 10 HD3 PRO 10 0.939 5.048 -7.740
83 H LYS 11 HN LYS 11 4.270 2.706 -6.604
84 HA LYS 11 HA LYS 11 5.331 0.371 -5.388
85 1HB LYS 11 HB2 LYS 11 6.062 1.285 -7.571
86 2HB LYS 11 HB3 LYS 11 6.749 2.718 -6.755
87 1HG LYS 11 HG2 LYS 11 8.459 1.049 -7.426
88 2HG LYS 11 HG3 LYS 11 8.465 1.300 -5.654
89 1HD LYS 11 HD2 LYS 11 7.202 -0.828 -5.327
90 2HD LYS 11 HD3 LYS 11 7.127 -1.067 -7.112
91 1HE LYS 11 HE2 LYS 11 9.639 -1.241 -7.188
92 2HE LYS 11 HE3 LYS 11 9.709 -0.965 -5.398
93 1HZ LYS 11 HZ1 LYS 11 8.412 -2.962 -5.095
94 2HZ LYS 11 HZ2 LYS 11 8.347 -3.224 -6.772
95 3HZ LYS 11 HZ3 LYS 11 9.838 -3.281 -5.961
96 H GLN 12 HN GLN 12 4.766 3.582 -4.068
97 HA GLN 12 HA GLN 12 6.698 3.347 -1.944
98 1HB GLN 12 HB2 GLN 12 6.353 5.514 -3.036
99 2HB GLN 12 HB3 GLN 12 4.644 5.442 -2.750
100 1HG GLN 12 HG2 GLN 12 5.899 7.016 -1.226
101 2HG GLN 12 HG3 GLN 12 5.095 5.742 -0.252
102 1HE2 GLN 12 HE22 GLN 12 9.268 5.617 -0.801
103 2HE2 GLN 12 HE21 GLN 12 8.248 6.278 -2.036
104 H CYS 13 HN CYS 13 3.764 1.969 -2.755
105 HA CYS 13 HA CYS 13 2.771 1.735 0.001
106 1HB CYS 13 HB2 CYS 13 1.244 2.898 -1.634
107 2HB CYS 13 HB3 CYS 13 1.336 1.520 -2.742
108 H SER 14 HN SER 14 4.362 0.064 -2.692
109 HA SER 14 HA SER 14 3.519 -2.592 -1.905
110 1HB SER 14 HB2 SER 14 5.635 -1.598 -3.918
111 2HB SER 14 HB3 SER 14 5.165 -3.328 -3.674
112 HG SER 14 HG SER 14 3.466 -1.216 -4.469
113 H LYS 15 HN LYS 15 5.619 -0.270 -0.643
114 HA LYS 15 HA LYS 15 7.677 -1.904 0.403
115 1HB LYS 15 HB2 LYS 15 6.734 0.981 0.550
116 2HB LYS 15 HB3 LYS 15 7.965 0.384 1.693
117 1HG LYS 15 HG2 LYS 15 9.400 -0.261 -0.283
118 2HG LYS 15 HG3 LYS 15 8.081 0.288 -1.381
119 1HD LYS 15 HD2 LYS 15 8.257 2.603 -0.379
120 2HD LYS 15 HD3 LYS 15 9.690 2.063 0.559
121 1HE LYS 15 HE2 LYS 15 9.437 2.090 -2.536
122 2HE LYS 15 HE3 LYS 15 10.343 3.295 -1.535
123 1HZ LYS 15 HZ3 LYS 15 10.916 0.383 -1.715
124 2HZ LYS 15 HZ1 LYS 15 11.778 1.635 -2.474
125 3HZ LYS 15 HZ2 LYS 15 11.767 1.517 -0.780
126 HA PRO 16 HA PRO 16 5.145 -1.677 4.483
127 1HB PRO 16 HB2 PRO 16 2.626 -0.508 4.564
128 2HB PRO 16 HB3 PRO 16 4.180 0.387 4.816
129 1HG PRO 16 HG2 PRO 16 2.579 -0.102 2.291
130 2HG PRO 16 HG3 PRO 16 3.023 1.522 2.938
131 1HD PRO 16 HD2 PRO 16 4.593 0.414 1.035
132 2HD PRO 16 HD3 PRO 16 5.416 1.096 2.467
133 H CYS 17 HN CYS 17 2.873 -2.127 1.640
134 HA CYS 17 HA CYS 17 1.305 -4.052 2.814
135 1HB CYS 17 HB2 CYS 17 1.693 -3.542 -0.188
136 2HB CYS 17 HB3 CYS 17 0.355 -4.480 0.566
137 H LYS 18 HN LYS 18 4.384 -4.410 0.894
138 HA LYS 18 HA LYS 18 4.136 -7.315 0.851
139 1HB LYS 18 HB2 LYS 18 6.300 -5.477 -0.229
140 2HB LYS 18 HB3 LYS 18 6.324 -7.276 -0.332
141 1HG LYS 18 HG2 LYS 18 4.096 -7.230 -1.462
142 2HG LYS 18 HG3 LYS 18 4.159 -5.431 -1.462
143 1HD LYS 18 HD2 LYS 18 6.228 -5.510 -2.874
144 2HD LYS 18 HD3 LYS 18 6.184 -7.311 -2.846
145 1HE LYS 18 HE2 LYS 18 3.970 -7.292 -4.037
146 2HE LYS 18 HE3 LYS 18 3.990 -5.482 -4.051
147 1HZ LYS 18 HZ3 LYS 18 6.006 -5.568 -5.352
148 2HZ LYS 18 HZ1 LYS 18 5.987 -7.266 -5.341
149 3HZ LYS 18 HZ2 LYS 18 4.742 -6.409 -6.117
150 H GLU 19 HN GLU 19 5.220 -4.931 3.045
151 HA GLU 19 HA GLU 19 6.870 -6.787 4.580
152 1HB GLU 19 HB2 GLU 19 7.342 -4.319 4.463
153 2HB GLU 19 HB3 GLU 19 5.846 -4.010 5.378
154 1HG GLU 19 HG2 GLU 19 7.820 -3.896 6.845
155 2HG GLU 19 HG3 GLU 19 6.781 -5.271 7.350
156 H LEU 20 HN LEU 20 3.514 -5.955 4.239
157 HA LEU 20 HA LEU 20 2.628 -7.089 6.775
158 1HB LEU 20 HB2 LEU 20 1.262 -5.660 4.428
159 2HB LEU 20 HB3 LEU 20 0.287 -6.455 5.740
160 HG LEU 20 HG LEU 20 2.149 -4.078 6.014
161 1HD1 LEU 20 HD11 LEU 20 -0.034 -3.620 4.958
162 2HD1 LEU 20 HD12 LEU 20 -0.889 -4.358 6.362
163 3HD1 LEU 20 HD13 LEU 20 0.082 -2.853 6.586
164 1HD2 LEU 20 HD23 LEU 20 0.592 -5.563 8.228
165 2HD2 LEU 20 HD21 LEU 20 2.387 -5.407 8.101
166 3HD2 LEU 20 HD22 LEU 20 1.380 -3.951 8.410
167 H TYR 21 HN TYR 21 1.727 -7.523 3.306
168 HA TYR 21 HA TYR 21 0.500 -10.076 3.864
169 1HB TYR 21 HB2 TYR 21 0.321 -8.115 1.500
170 2HB TYR 21 HB3 TYR 21 -0.526 -9.703 1.538
171 HD1 TYR 21 HD1 TYR 21 -0.404 -6.305 3.151
172 HD2 TYR 21 HD2 TYR 21 -2.348 -10.142 2.972
173 HE1 TYR 21 HE1 TYR 21 -2.294 -5.416 4.457
174 HE2 TYR 21 HE2 TYR 21 -4.255 -9.240 4.244
175 HH TYR 21 HH TYR 21 -5.130 -7.461 5.290
176 H GLY 22 HN GLY 22 3.530 -8.979 2.605
177 1HA GLY 22 HA1 GLY 22 5.218 -10.423 2.496
178 2HA GLY 22 HA2 GLY 22 4.152 -11.768 1.986
179 H SER 23 HN SER 23 3.242 -11.603 -0.243
180 HA SER 23 HA SER 23 4.842 -10.188 -2.216
181 1HB SER 23 HB2 SER 23 4.688 -13.278 -2.097
182 2HB SER 23 HB3 SER 23 5.297 -12.328 -3.511
183 HG SER 23 HG SER 23 6.357 -12.297 -0.891
184 H SER 24 HN SER 24 2.019 -11.628 -0.924
185 HA SER 24 HA SER 24 0.474 -11.393 -3.414
186 1HB SER 24 HB2 SER 24 0.394 -13.589 -2.177
187 2HB SER 24 HB3 SER 24 -0.298 -12.749 -0.753
188 HG SER 24 HG SER 24 -2.010 -12.097 -2.168
189 H ALA 25 HN ALA 25 0.972 -8.972 -3.051
190 HA ALA 25 HA ALA 25 -0.869 -7.708 -1.126
191 1HB ALA 25 HB1 ALA 25 1.926 -6.792 -2.098
192 2HB ALA 25 HB2 ALA 25 0.821 -5.816 -1.075
193 3HB ALA 25 HB3 ALA 25 1.512 -7.354 -0.447
194 H GLY 26 HN GLY 26 -2.493 -6.682 -2.211
195 1HA GLY 26 HA1 GLY 26 -2.097 -5.735 -4.963
196 2HA GLY 26 HA2 GLY 26 -3.614 -5.939 -4.006
197 H ALA 27 HN ALA 27 -0.619 -4.020 -4.352
198 HA ALA 27 HA ALA 27 -1.439 -2.111 -2.334
199 1HB ALA 27 HB3 ALA 27 1.128 -2.381 -4.017
200 2HB ALA 27 HB1 ALA 27 0.863 -1.176 -2.697
201 3HB ALA 27 HB2 ALA 27 0.890 -2.932 -2.327
202 H LYS 28 HN LYS 28 -2.628 -0.366 -2.853
203 HA LYS 28 HA LYS 28 -2.620 0.750 -5.582
204 1HB LYS 28 HB2 LYS 28 -4.922 0.674 -3.505
205 2HB LYS 28 HB3 LYS 28 -5.046 1.225 -5.229
206 1HG LYS 28 HG2 LYS 28 -4.590 -1.615 -4.158
207 2HG LYS 28 HG3 LYS 28 -6.143 -0.916 -4.719
208 1HD LYS 28 HD2 LYS 28 -5.086 -0.543 -7.017
209 2HD LYS 28 HD3 LYS 28 -3.669 -1.502 -6.466
210 1HE LYS 28 HE2 LYS 28 -6.605 -2.492 -6.634
211 2HE LYS 28 HE3 LYS 28 -5.265 -2.913 -7.776
212 1HZ LYS 28 HZ2 LYS 28 -5.366 -3.561 -4.878
213 2HZ LYS 28 HZ3 LYS 28 -5.654 -4.630 -6.166
214 3HZ LYS 28 HZ1 LYS 28 -4.110 -3.957 -5.948
215 H CYS 29 HN CYS 29 -2.601 3.115 -5.494
216 HA CYS 29 HA CYS 29 -2.575 4.253 -2.784
217 1HB CYS 29 HB2 CYS 29 -0.138 3.676 -3.920
218 2HB CYS 29 HB3 CYS 29 -0.343 5.344 -4.492
219 H MET 30 HN MET 30 -3.629 6.028 -2.616
220 HA MET 30 HA MET 30 -4.597 7.475 -4.990
221 1HB MET 30 HB2 MET 30 -5.644 7.337 -2.105
222 2HB MET 30 HB3 MET 30 -6.290 8.399 -3.416
223 1HG MET 30 HG2 MET 30 -6.885 6.390 -4.755
224 2HG MET 30 HG3 MET 30 -6.182 5.327 -3.501
225 1HE MET 30 HE1 MET 30 -9.052 7.675 -4.610
226 2HE MET 30 HE2 MET 30 -10.110 7.831 -3.167
227 3HE MET 30 HE3 MET 30 -8.506 8.630 -3.188
228 H ASN 31 HN ASN 31 -2.288 8.259 -5.032
229 HA ASN 31 HA ASN 31 -0.432 9.103 -4.013
230 1HB ASN 31 HB2 ASN 31 -1.888 11.297 -5.580
231 2HB ASN 31 HB3 ASN 31 -0.099 11.077 -5.438
232 1HD2 ASN 31 HD22 ASN 31 -0.222 7.913 -7.418
233 2HD2 ASN 31 HD21 ASN 31 0.382 8.433 -5.879
234 H GLY 32 HN GLY 32 -0.748 9.146 -1.685
235 1HA GLY 32 HA1 GLY 32 -0.462 11.389 -0.245
236 2HA GLY 32 HA2 GLY 32 -2.251 11.257 -0.532
237 H LYS 33 HN LYS 33 -2.489 8.370 -0.579
238 HA LYS 33 HA LYS 33 -1.330 7.342 1.850
239 1HB LYS 33 HB2 LYS 33 -4.318 7.977 1.777
240 2HB LYS 33 HB3 LYS 33 -3.655 6.647 2.792
241 1HG LYS 33 HG2 LYS 33 -2.006 8.294 3.799
242 2HG LYS 33 HG3 LYS 33 -3.015 9.605 3.103
243 1HD LYS 33 HD2 LYS 33 -5.029 8.778 4.278
244 2HD LYS 33 HD3 LYS 33 -4.108 7.394 4.957
245 1HE LYS 33 HE2 LYS 33 -3.489 10.375 5.542
246 2HE LYS 33 HE3 LYS 33 -4.431 9.267 6.623
247 1HZ LYS 33 HZ3 LYS 33 -2.507 7.852 6.775
248 2HZ LYS 33 HZ1 LYS 33 -1.616 8.880 5.757
249 3HZ LYS 33 HZ2 LYS 33 -2.141 9.433 7.274
250 H CYS 34 HN CYS 34 -1.830 5.129 2.191
251 HA CYS 34 HA CYS 34 -1.804 3.662 -0.330
252 1HB CYS 34 HB2 CYS 34 0.289 3.871 0.934
253 2HB CYS 34 HB3 CYS 34 -0.516 3.377 2.441
254 H LYS 35 HN LYS 35 -2.704 1.546 -0.482
255 HA LYS 35 HA LYS 35 -4.569 0.642 1.588
256 1HB LYS 35 HB2 LYS 35 -4.939 0.879 -1.467
257 2HB LYS 35 HB3 LYS 35 -5.948 -0.208 -0.441
258 1HG LYS 35 HG2 LYS 35 -6.620 1.756 0.927
259 2HG LYS 35 HG3 LYS 35 -5.776 2.860 -0.213
260 1HD LYS 35 HD2 LYS 35 -7.992 0.883 -1.024
261 2HD LYS 35 HD3 LYS 35 -8.300 2.600 -0.550
262 1HE LYS 35 HE2 LYS 35 -6.801 3.337 -2.486
263 2HE LYS 35 HE3 LYS 35 -6.677 1.597 -2.981
264 1HZ LYS 35 HZ1 LYS 35 -9.058 1.546 -3.219
265 2HZ LYS 35 HZ2 LYS 35 -9.179 3.178 -2.763
266 3HZ LYS 35 HZ3 LYS 35 -8.367 2.754 -4.193
267 H CYS 36 HN CYS 36 -4.348 -1.535 1.977
268 HA CYS 36 HA CYS 36 -2.538 -3.115 0.228
269 1HB CYS 36 HB2 CYS 36 -2.862 -3.456 3.263
270 2HB CYS 36 HB3 CYS 36 -1.791 -4.414 2.084
271 H TYR 37 HN TYR 37 -3.583 -4.699 -0.807
272 HA TYR 37 HA TYR 37 -5.870 -6.026 0.447
273 1HB TYR 37 HB2 TYR 37 -5.264 -5.212 -2.485
274 2HB TYR 37 HB3 TYR 37 -6.580 -6.311 -2.006
275 HD1 TYR 37 HD2 TYR 37 -8.145 -5.385 -0.054
276 HD2 TYR 37 HD1 TYR 37 -5.782 -2.854 -2.625
277 HE1 TYR 37 HE2 TYR 37 -9.637 -3.482 0.423
278 HE2 TYR 37 HE1 TYR 37 -7.316 -1.006 -2.238
279 HH TYR 37 HH TYR 37 -10.159 -1.377 -0.016
280 H ASN 38 HN ASN 38 -5.690 -7.910 -1.878
281 HA ASN 38 HA ASN 38 -3.108 -9.258 -1.474
282 1HB ASN 38 HB2 ASN 38 -5.926 -10.527 -1.304
283 2HB ASN 38 HB3 ASN 38 -4.431 -11.492 -1.589
284 1HD2 ASN 38 HD22 ASN 38 -3.225 -11.373 1.736
285 2HD2 ASN 38 HD21 ASN 38 -2.869 -11.727 0.077
286 H ASN 39 HN ASN 39 -2.573 -10.598 -3.347
287 HA ASN 39 HA ASN 39 -3.783 -9.725 -5.860
288 1HB ASN 39 HB2 ASN 39 -1.425 -11.615 -5.255
289 2HB ASN 39 HB3 ASN 39 -2.028 -11.216 -6.906
290 1HD2 ASN 39 HD22 ASN 39 -0.991 -7.642 -6.561
291 2HD2 ASN 39 HD21 ASN 39 -2.463 -8.497 -6.878
292 1H NH2 40 HT1 ASN 39 -5.798 -12.564 -6.405
293 2H NH2 40 HT2 ASN 39 -5.417 -10.913 -6.769
No H/Q in entry = 293
Start of MODEL 26
1 1H THR 1 HN2 THR 1 -9.223 -3.077 2.823
2 2H THR 1 HN THR 1 -7.841 -4.006 2.485
3 3H THR 1 HN3 THR 1 -8.983 -4.563 3.613
4 HA THR 1 HA THR 1 -8.516 -2.724 5.045
5 HB THR 1 HB THR 1 -5.997 -4.303 4.227
6 HG1 THR 1 HG1 THR 1 -7.810 -5.527 4.795
7 1HG2 THR 1 HG22 THR 1 -6.673 -2.813 6.861
8 2HG2 THR 1 HG23 THR 1 -5.294 -3.952 6.634
9 3HG2 THR 1 HG21 THR 1 -5.330 -2.410 5.726
10 H ILE 2 HN ILE 2 -7.792 -0.621 5.300
11 HA ILE 2 HA ILE 2 -6.162 0.606 3.188
12 HB ILE 2 HB ILE 2 -8.476 1.795 4.817
13 1HG1 ILE 2 HG12 ILE 2 -8.272 0.966 1.855
14 2HG1 ILE 2 HG13 ILE 2 -9.330 0.265 3.107
15 1HG2 ILE 2 HG22 ILE 2 -6.557 3.033 2.724
16 2HG2 ILE 2 HG23 ILE 2 -8.039 3.836 3.360
17 3HG2 ILE 2 HG21 ILE 2 -6.688 3.471 4.460
18 1HD1 ILE 2 HD11 ILE 2 -10.529 2.484 3.333
19 2HD1 ILE 2 HD12 ILE 2 -9.553 3.112 1.949
20 3HD1 ILE 2 HD13 ILE 2 -10.671 1.727 1.703
21 H ILE 3 HN ILE 3 -4.212 1.148 4.007
22 HA ILE 3 HA ILE 3 -3.846 1.484 6.914
23 HB ILE 3 HB ILE 3 -1.562 1.064 6.685
24 1HG1 ILE 3 HG12 ILE 3 -2.042 0.283 3.740
25 2HG1 ILE 3 HG13 ILE 3 -1.292 1.840 4.230
26 1HG2 ILE 3 HG22 ILE 3 -3.301 -0.700 7.156
27 2HG2 ILE 3 HG23 ILE 3 -3.304 -1.137 5.405
28 3HG2 ILE 3 HG21 ILE 3 -1.814 -1.352 6.390
29 1HD1 ILE 3 HD13 ILE 3 0.442 0.627 5.544
30 2HD1 ILE 3 HD11 ILE 3 -0.211 -0.951 4.967
31 3HD1 ILE 3 HD12 ILE 3 0.494 0.195 3.782
32 H ASN 4 HN ASN 4 -1.576 3.060 6.989
33 HA ASN 4 HA ASN 4 -2.218 5.509 5.498
34 1HB ASN 4 HB2 ASN 4 -3.320 5.566 7.809
35 2HB ASN 4 HB3 ASN 4 -1.692 5.456 8.545
36 1HD2 ASN 4 HD22 ASN 4 -2.347 9.042 8.649
37 2HD2 ASN 4 HD21 ASN 4 -2.637 7.562 9.500
38 H VAL 5 HN VAL 5 -0.507 5.057 4.148
39 HA VAL 5 HA VAL 5 2.075 5.854 5.235
40 HB VAL 5 HB VAL 5 1.546 3.451 3.417
41 1HG1 VAL 5 HG13 VAL 5 4.152 5.118 3.506
42 2HG1 VAL 5 HG11 VAL 5 4.020 3.441 2.858
43 3HG1 VAL 5 HG12 VAL 5 3.129 4.749 2.053
44 1HG2 VAL 5 HG23 VAL 5 3.317 3.977 5.893
45 2HG2 VAL 5 HG21 VAL 5 1.820 2.969 5.814
46 3HG2 VAL 5 HG22 VAL 5 3.307 2.445 4.955
47 H LYS 6 HN LYS 6 2.626 7.683 4.307
48 HA LYS 6 HA LYS 6 0.978 8.844 2.312
49 1HB LYS 6 HB2 LYS 6 3.606 9.879 3.553
50 2HB LYS 6 HB3 LYS 6 2.441 10.855 2.588
51 1HG LYS 6 HG2 LYS 6 1.875 9.561 5.330
52 2HG LYS 6 HG3 LYS 6 2.335 11.267 5.014
53 1HD LYS 6 HD2 LYS 6 0.261 11.483 3.536
54 2HD LYS 6 HD3 LYS 6 -0.268 9.877 4.145
55 1HE LYS 6 HE2 LYS 6 0.309 12.387 5.879
56 2HE LYS 6 HE3 LYS 6 -1.328 11.773 5.421
57 1HZ LYS 6 HZ3 LYS 6 0.701 10.317 7.034
58 2HZ LYS 6 HZ1 LYS 6 -0.687 11.100 7.621
59 3HZ LYS 6 HZ2 LYS 6 -0.841 9.744 6.609
60 H CYS 7 HN CYS 7 1.549 9.217 0.068
61 HA CYS 7 HA CYS 7 4.043 7.969 -0.920
62 1HB CYS 7 HB2 CYS 7 2.919 6.330 -2.192
63 2HB CYS 7 HB3 CYS 7 2.174 6.277 -0.541
64 H THR 8 HN THR 8 3.867 7.979 -3.441
65 HA THR 8 HA THR 8 2.279 10.024 -4.620
66 HB THR 8 HB THR 8 4.239 11.354 -3.842
67 HG1 THR 8 HG1 THR 8 3.169 11.900 -5.726
68 1HG2 THR 8 HG23 THR 8 5.979 9.530 -3.908
69 2HG2 THR 8 HG21 THR 8 5.957 9.579 -5.711
70 3HG2 THR 8 HG22 THR 8 6.485 11.019 -4.777
71 H SER 9 HN SER 9 2.634 7.027 -4.451
72 HA SER 9 HA SER 9 2.594 6.311 -7.123
73 1HB SER 9 HB2 SER 9 4.730 4.916 -7.267
74 2HB SER 9 HB3 SER 9 5.054 6.676 -7.129
75 HG SER 9 HG SER 9 5.421 6.418 -4.948
76 HA PRO 10 HA PRO 10 1.108 2.608 -4.881
77 1HB PRO 10 HB2 PRO 10 1.565 1.270 -7.592
78 2HB PRO 10 HB3 PRO 10 0.162 1.152 -6.457
79 1HG PRO 10 HG2 PRO 10 0.036 2.737 -8.685
80 2HG PRO 10 HG3 PRO 10 -0.599 3.368 -7.106
81 1HD PRO 10 HD2 PRO 10 2.168 3.877 -8.364
82 2HD PRO 10 HD3 PRO 10 0.965 5.077 -7.695
83 H LYS 11 HN LYS 11 4.259 2.699 -6.576
84 HA LYS 11 HA LYS 11 5.320 0.356 -5.392
85 1HB LYS 11 HB2 LYS 11 6.050 1.302 -7.561
86 2HB LYS 11 HB3 LYS 11 6.726 2.728 -6.727
87 1HG LYS 11 HG2 LYS 11 8.451 1.087 -7.420
88 2HG LYS 11 HG3 LYS 11 8.454 1.309 -5.644
89 1HD LYS 11 HD2 LYS 11 7.209 -0.837 -5.354
90 2HD LYS 11 HD3 LYS 11 7.138 -1.046 -7.143
91 1HE LYS 11 HE2 LYS 11 9.653 -1.192 -7.219
92 2HE LYS 11 HE3 LYS 11 9.719 -0.948 -5.425
93 1HZ LYS 11 HZ1 LYS 11 8.443 -2.963 -5.159
94 2HZ LYS 11 HZ2 LYS 11 8.382 -3.195 -6.841
95 3HZ LYS 11 HZ3 LYS 11 9.873 -3.251 -6.029
96 H GLN 12 HN GLN 12 4.802 3.574 -4.047
97 HA GLN 12 HA GLN 12 6.726 3.298 -1.924
98 1HB GLN 12 HB2 GLN 12 6.420 5.476 -2.985
99 2HB GLN 12 HB3 GLN 12 4.705 5.420 -2.733
100 1HG GLN 12 HG2 GLN 12 5.948 6.974 -1.177
101 2HG GLN 12 HG3 GLN 12 5.114 5.702 -0.223
102 1HE2 GLN 12 HE22 GLN 12 9.294 5.537 -0.706
103 2HE2 GLN 12 HE21 GLN 12 8.302 6.214 -1.954
104 H CYS 13 HN CYS 13 3.751 1.986 -2.737
105 HA CYS 13 HA CYS 13 2.792 1.714 0.027
106 1HB CYS 13 HB2 CYS 13 1.255 2.912 -1.556
107 2HB CYS 13 HB3 CYS 13 1.323 1.558 -2.696
108 H SER 14 HN SER 14 4.353 0.068 -2.682
109 HA SER 14 HA SER 14 3.508 -2.598 -1.926
110 1HB SER 14 HB2 SER 14 5.622 -1.574 -3.926
111 2HB SER 14 HB3 SER 14 5.160 -3.307 -3.707
112 HG SER 14 HG SER 14 3.452 -1.191 -4.471
113 H LYS 15 HN LYS 15 5.623 -0.291 -0.650
114 HA LYS 15 HA LYS 15 7.675 -1.948 0.378
115 1HB LYS 15 HB2 LYS 15 6.770 0.951 0.533
116 2HB LYS 15 HB3 LYS 15 8.003 0.333 1.665
117 1HG LYS 15 HG2 LYS 15 9.412 -0.326 -0.324
118 2HG LYS 15 HG3 LYS 15 8.090 0.241 -1.409
119 1HD LYS 15 HD2 LYS 15 8.305 2.553 -0.399
120 2HD LYS 15 HD3 LYS 15 9.745 1.991 0.515
121 1HE LYS 15 HE2 LYS 15 9.444 2.033 -2.577
122 2HE LYS 15 HE3 LYS 15 10.382 3.222 -1.584
123 1HZ LYS 15 HZ2 LYS 15 10.913 0.304 -1.785
124 2HZ LYS 15 HZ3 LYS 15 11.781 1.548 -2.552
125 3HZ LYS 15 HZ1 LYS 15 11.794 1.422 -0.858
126 HA PRO 16 HA PRO 16 5.145 -1.672 4.465
127 1HB PRO 16 HB2 PRO 16 2.615 -0.506 4.515
128 2HB PRO 16 HB3 PRO 16 4.170 0.376 4.808
129 1HG PRO 16 HG2 PRO 16 2.606 -0.065 2.255
130 2HG PRO 16 HG3 PRO 16 3.081 1.548 2.919
131 1HD PRO 16 HD2 PRO 16 4.634 0.418 1.019
132 2HD PRO 16 HD3 PRO 16 5.463 1.077 2.460
133 H CYS 17 HN CYS 17 2.830 -2.114 1.654
134 HA CYS 17 HA CYS 17 1.309 -4.071 2.822
135 1HB CYS 17 HB2 CYS 17 1.663 -3.533 -0.178
136 2HB CYS 17 HB3 CYS 17 0.339 -4.488 0.579
137 H LYS 18 HN LYS 18 4.360 -4.424 0.844
138 HA LYS 18 HA LYS 18 4.096 -7.329 0.817
139 1HB LYS 18 HB2 LYS 18 6.240 -5.529 -0.354
140 2HB LYS 18 HB3 LYS 18 6.230 -7.327 -0.442
141 1HG LYS 18 HG2 LYS 18 3.966 -7.269 -1.471
142 2HG LYS 18 HG3 LYS 18 4.034 -5.470 -1.491
143 1HD LYS 18 HD2 LYS 18 5.945 -5.525 -3.068
144 2HD LYS 18 HD3 LYS 18 6.067 -7.312 -2.909
145 1HE LYS 18 HE2 LYS 18 4.946 -6.680 -5.055
146 2HE LYS 18 HE3 LYS 18 3.826 -7.607 -3.974
147 1HZ LYS 18 HZ2 LYS 18 3.888 -4.653 -4.308
148 2HZ LYS 18 HZ3 LYS 18 2.759 -5.727 -4.987
149 3HZ LYS 18 HZ1 LYS 18 2.836 -5.530 -3.301
150 H GLU 19 HN GLU 19 5.227 -4.970 2.989
151 HA GLU 19 HA GLU 19 6.925 -6.813 4.485
152 1HB GLU 19 HB2 GLU 19 7.418 -4.420 4.379
153 2HB GLU 19 HB3 GLU 19 5.904 -4.016 5.216
154 1HG GLU 19 HG2 GLU 19 8.077 -5.837 6.466
155 2HG GLU 19 HG3 GLU 19 8.184 -4.042 6.507
156 H LEU 20 HN LEU 20 3.534 -5.897 4.279
157 HA LEU 20 HA LEU 20 2.721 -7.101 6.787
158 1HB LEU 20 HB2 LEU 20 1.301 -5.635 4.500
159 2HB LEU 20 HB3 LEU 20 0.361 -6.410 5.850
160 HG LEU 20 HG LEU 20 2.297 -4.084 6.055
161 1HD1 LEU 20 HD11 LEU 20 0.105 -3.546 5.063
162 2HD1 LEU 20 HD12 LEU 20 -0.738 -4.265 6.487
163 3HD1 LEU 20 HD13 LEU 20 0.289 -2.794 6.691
164 1HD2 LEU 20 HD22 LEU 20 0.763 -5.516 8.319
165 2HD2 LEU 20 HD23 LEU 20 2.557 -5.420 8.132
166 3HD2 LEU 20 HD21 LEU 20 1.611 -3.931 8.473
167 H TYR 21 HN TYR 21 1.797 -7.516 3.318
168 HA TYR 21 HA TYR 21 0.499 -10.045 3.895
169 1HB TYR 21 HB2 TYR 21 0.262 -8.071 1.551
170 2HB TYR 21 HB3 TYR 21 -0.619 -9.641 1.638
171 HD1 TYR 21 HD2 TYR 21 -0.342 -6.238 3.208
172 HD2 TYR 21 HD1 TYR 21 -2.371 -10.033 3.189
173 HE1 TYR 21 HE2 TYR 21 -2.123 -5.298 4.614
174 HE2 TYR 21 HE1 TYR 21 -4.180 -9.076 4.564
175 HH TYR 21 HH TYR 21 -4.954 -7.254 5.640
176 H GLY 22 HN GLY 22 3.515 -8.988 2.617
177 1HA GLY 22 HA1 GLY 22 5.179 -10.437 2.427
178 2HA GLY 22 HA2 GLY 22 4.082 -11.770 1.955
179 H SER 23 HN SER 23 3.113 -11.605 -0.247
180 HA SER 23 HA SER 23 4.647 -10.203 -2.275
181 1HB SER 23 HB2 SER 23 4.504 -13.295 -2.145
182 2HB SER 23 HB3 SER 23 5.062 -12.346 -3.579
183 HG SER 23 HG SER 23 6.212 -12.308 -0.998
184 H SER 24 HN SER 24 1.865 -11.554 -0.864
185 HA SER 24 HA SER 24 0.239 -11.406 -3.311
186 1HB SER 24 HB2 SER 24 0.190 -13.555 -1.988
187 2HB SER 24 HB3 SER 24 -0.441 -12.657 -0.573
188 HG SER 24 HG SER 24 -2.048 -13.645 -1.829
189 H ALA 25 HN ALA 25 0.783 -8.978 -3.046
190 HA ALA 25 HA ALA 25 -1.007 -7.636 -1.127
191 1HB ALA 25 HB3 ALA 25 1.800 -6.797 -2.115
192 2HB ALA 25 HB1 ALA 25 0.711 -5.762 -1.135
193 3HB ALA 25 HB2 ALA 25 1.359 -7.293 -0.446
194 H GLY 26 HN GLY 26 -2.544 -6.460 -2.141
195 1HA GLY 26 HA1 GLY 26 -2.163 -5.582 -4.929
196 2HA GLY 26 HA2 GLY 26 -3.689 -5.769 -3.980
197 H ALA 27 HN ALA 27 -0.685 -3.894 -4.364
198 HA ALA 27 HA ALA 27 -1.425 -2.011 -2.290
199 1HB ALA 27 HB2 ALA 27 1.101 -2.321 -4.028
200 2HB ALA 27 HB3 ALA 27 0.893 -1.114 -2.701
201 3HB ALA 27 HB1 ALA 27 0.887 -2.871 -2.335
202 H LYS 28 HN LYS 28 -2.655 -0.281 -2.783
203 HA LYS 28 HA LYS 28 -2.618 0.898 -5.491
204 1HB LYS 28 HB2 LYS 28 -4.931 0.779 -3.442
205 2HB LYS 28 HB3 LYS 28 -5.042 1.386 -5.143
206 1HG LYS 28 HG2 LYS 28 -4.585 -1.488 -4.159
207 2HG LYS 28 HG3 LYS 28 -6.129 -0.803 -4.755
208 1HD LYS 28 HD2 LYS 28 -3.576 -1.183 -6.454
209 2HD LYS 28 HD3 LYS 28 -5.012 -2.262 -6.438
210 1HE LYS 28 HE2 LYS 28 -6.452 -0.380 -7.297
211 2HE LYS 28 HE3 LYS 28 -5.000 0.701 -7.352
212 1HZ LYS 28 HZ3 LYS 28 -5.348 -1.843 -8.846
213 2HZ LYS 28 HZ1 LYS 28 -5.479 -0.271 -9.473
214 3HZ LYS 28 HZ2 LYS 28 -3.984 -0.832 -8.892
215 H CYS 29 HN CYS 29 -2.579 3.235 -5.409
216 HA CYS 29 HA CYS 29 -2.526 4.419 -2.729
217 1HB CYS 29 HB2 CYS 29 -0.086 3.719 -3.811
218 2HB CYS 29 HB3 CYS 29 -0.217 5.385 -4.401
219 H MET 30 HN MET 30 -4.046 5.832 -2.808
220 HA MET 30 HA MET 30 -4.612 7.336 -5.272
221 1HB MET 30 HB2 MET 30 -6.430 6.388 -2.986
222 2HB MET 30 HB3 MET 30 -6.956 7.529 -4.273
223 1HG MET 30 HG2 MET 30 -6.296 5.781 -5.993
224 2HG MET 30 HG3 MET 30 -5.999 4.634 -4.651
225 1HE MET 30 HE3 MET 30 -7.483 2.931 -5.745
226 2HE MET 30 HE1 MET 30 -9.160 3.208 -6.330
227 3HE MET 30 HE2 MET 30 -7.784 4.062 -7.110
228 H ASN 31 HN ASN 31 -4.074 9.621 -5.003
229 HA ASN 31 HA ASN 31 -4.061 11.603 -4.190
230 1HB ASN 31 HB2 ASN 31 -6.083 11.095 -2.820
231 2HB ASN 31 HB3 ASN 31 -5.038 10.657 -1.438
232 1HD2 ASN 31 HD22 ASN 31 -4.821 14.006 -0.334
233 2HD2 ASN 31 HD21 ASN 31 -4.744 12.307 0.003
234 H GLY 32 HN GLY 32 -3.158 10.164 -1.087
235 1HA GLY 32 HA1 GLY 32 -0.466 9.705 -1.693
236 2HA GLY 32 HA2 GLY 32 -0.689 11.237 -0.738
237 H LYS 33 HN LYS 33 -2.479 8.059 -0.770
238 HA LYS 33 HA LYS 33 -1.389 7.301 1.793
239 1HB LYS 33 HB2 LYS 33 -4.383 7.923 1.538
240 2HB LYS 33 HB3 LYS 33 -3.712 6.803 2.780
241 1HG LYS 33 HG2 LYS 33 -2.144 8.697 3.517
242 2HG LYS 33 HG3 LYS 33 -3.140 9.790 2.507
243 1HD LYS 33 HD2 LYS 33 -5.224 9.070 3.748
244 2HD LYS 33 HD3 LYS 33 -4.203 8.053 4.820
245 1HE LYS 33 HE2 LYS 33 -4.765 10.199 5.939
246 2HE LYS 33 HE3 LYS 33 -2.988 10.123 5.616
247 1HZ LYS 33 HZ1 LYS 33 -3.346 11.487 3.668
248 2HZ LYS 33 HZ2 LYS 33 -5.014 11.560 3.980
249 3HZ LYS 33 HZ3 LYS 33 -3.914 12.253 5.073
250 H CYS 34 HN CYS 34 -1.803 5.106 2.238
251 HA CYS 34 HA CYS 34 -1.773 3.570 -0.239
252 1HB CYS 34 HB2 CYS 34 0.298 3.839 1.047
253 2HB CYS 34 HB3 CYS 34 -0.507 3.312 2.543
254 H LYS 35 HN LYS 35 -2.700 1.514 -0.411
255 HA LYS 35 HA LYS 35 -4.565 0.578 1.649
256 1HB LYS 35 HB2 LYS 35 -4.944 0.813 -1.409
257 2HB LYS 35 HB3 LYS 35 -5.966 -0.223 -0.354
258 1HG LYS 35 HG2 LYS 35 -6.502 1.815 1.006
259 2HG LYS 35 HG3 LYS 35 -5.734 2.849 -0.249
260 1HD LYS 35 HD2 LYS 35 -7.975 0.820 -0.799
261 2HD LYS 35 HD3 LYS 35 -8.305 2.539 -0.359
262 1HE LYS 35 HE2 LYS 35 -7.110 3.309 -2.430
263 2HE LYS 35 HE3 LYS 35 -6.762 1.586 -2.868
264 1HZ LYS 35 HZ3 LYS 35 -9.457 2.782 -2.534
265 2HZ LYS 35 HZ1 LYS 35 -8.678 2.434 -4.002
266 3HZ LYS 35 HZ2 LYS 35 -9.114 1.172 -2.952
267 H CYS 36 HN CYS 36 -4.402 -1.615 1.967
268 HA CYS 36 HA CYS 36 -2.585 -3.168 0.204
269 1HB CYS 36 HB2 CYS 36 -2.908 -3.581 3.233
270 2HB CYS 36 HB3 CYS 36 -1.821 -4.490 2.028
271 H TYR 37 HN TYR 37 -3.659 -4.724 -0.852
272 HA TYR 37 HA TYR 37 -5.987 -6.013 0.375
273 1HB TYR 37 HB2 TYR 37 -5.295 -5.202 -2.533
274 2HB TYR 37 HB3 TYR 37 -6.633 -6.302 -2.105
275 HD1 TYR 37 HD2 TYR 37 -8.274 -5.405 -0.226
276 HD2 TYR 37 HD1 TYR 37 -5.763 -2.829 -2.604
277 HE1 TYR 37 HE2 TYR 37 -9.774 -3.499 0.227
278 HE2 TYR 37 HE1 TYR 37 -7.304 -0.970 -2.237
279 HH TYR 37 HH TYR 37 -10.271 -1.391 -0.196
280 H ASN 38 HN ASN 38 -5.943 -8.059 -1.688
281 HA ASN 38 HA ASN 38 -3.376 -9.446 -1.251
282 1HB ASN 38 HB2 ASN 38 -6.214 -10.549 -0.723
283 2HB ASN 38 HB3 ASN 38 -4.779 -11.610 -0.993
284 1HD2 ASN 38 HD21 ASN 38 -5.304 -9.773 2.647
285 2HD2 ASN 38 HD22 ASN 38 -6.405 -9.505 1.337
286 H ASN 39 HN ASN 39 -2.828 -8.837 -3.412
287 HA ASN 39 HA ASN 39 -4.344 -10.284 -5.518
288 1HB ASN 39 HB2 ASN 39 -2.512 -7.820 -5.754
289 2HB ASN 39 HB3 ASN 39 -3.115 -8.800 -7.142
290 1HD2 ASN 39 HD22 ASN 39 -5.331 -5.831 -6.900
291 2HD2 ASN 39 HD21 ASN 39 -3.657 -6.150 -7.210
292 1H NH2 40 HT1 ASN 39 -3.303 -12.279 -5.372
293 2H NH2 40 HT2 ASN 39 -1.586 -12.487 -5.483
No H/Q in entry = 293
Start of MODEL 27
1 1H THR 1 HN THR 1 -7.262 -4.418 3.449
2 2H THR 1 HN3 THR 1 -5.996 -4.721 4.540
3 3H THR 1 HN2 THR 1 -7.568 -5.263 4.892
4 HA THR 1 HA THR 1 -8.354 -3.049 5.012
5 HB THR 1 HB THR 1 -7.450 -4.298 7.011
6 HG1 THR 1 HG1 THR 1 -7.371 -2.515 8.341
7 1HG2 THR 1 HG22 THR 1 -4.988 -4.224 6.345
8 2HG2 THR 1 HG23 THR 1 -4.961 -2.469 6.754
9 3HG2 THR 1 HG21 THR 1 -5.313 -3.685 8.029
10 H ILE 2 HN ILE 2 -7.723 -0.660 5.338
11 HA ILE 2 HA ILE 2 -5.686 0.166 3.392
12 HB ILE 2 HB ILE 2 -8.185 1.560 4.464
13 1HG1 ILE 2 HG12 ILE 2 -7.470 0.356 1.703
14 2HG1 ILE 2 HG13 ILE 2 -8.696 -0.232 2.865
15 1HG2 ILE 2 HG21 ILE 2 -5.955 2.573 2.575
16 2HG2 ILE 2 HG22 ILE 2 -7.544 3.389 2.799
17 3HG2 ILE 2 HG23 ILE 2 -6.415 3.266 4.167
18 1HD1 ILE 2 HD13 ILE 2 -9.929 2.003 2.605
19 2HD1 ILE 2 HD11 ILE 2 -8.779 2.397 1.260
20 3HD1 ILE 2 HD12 ILE 2 -9.864 0.970 1.128
21 H ILE 3 HN ILE 3 -3.906 1.032 4.170
22 HA ILE 3 HA ILE 3 -3.604 1.450 7.064
23 HB ILE 3 HB ILE 3 -1.277 1.100 6.784
24 1HG1 ILE 3 HG12 ILE 3 -1.903 0.315 3.863
25 2HG1 ILE 3 HG13 ILE 3 -1.123 1.868 4.323
26 1HG2 ILE 3 HG23 ILE 3 -2.977 -0.682 7.339
27 2HG2 ILE 3 HG21 ILE 3 -3.037 -1.138 5.595
28 3HG2 ILE 3 HG22 ILE 3 -1.510 -1.319 6.524
29 1HD1 ILE 3 HD11 ILE 3 0.674 0.648 5.523
30 2HD1 ILE 3 HD12 ILE 3 -0.025 -0.928 5.002
31 3HD1 ILE 3 HD13 ILE 3 0.615 0.208 3.762
32 H ASN 4 HN ASN 4 -1.381 3.061 7.210
33 HA ASN 4 HA ASN 4 -2.129 5.591 5.903
34 1HB ASN 4 HB2 ASN 4 -3.090 5.399 8.265
35 2HB ASN 4 HB3 ASN 4 -1.425 5.267 8.898
36 1HD2 ASN 4 HD22 ASN 4 -0.987 8.802 8.924
37 2HD2 ASN 4 HD21 ASN 4 -0.478 7.237 9.463
38 H VAL 5 HN VAL 5 -0.450 4.998 4.410
39 HA VAL 5 HA VAL 5 2.160 5.915 5.335
40 HB VAL 5 HB VAL 5 1.587 3.416 3.656
41 1HG1 VAL 5 HG11 VAL 5 4.161 5.128 3.561
42 2HG1 VAL 5 HG12 VAL 5 4.062 3.411 3.031
43 3HG1 VAL 5 HG13 VAL 5 3.102 4.634 2.170
44 1HG2 VAL 5 HG23 VAL 5 3.464 4.040 6.027
45 2HG2 VAL 5 HG21 VAL 5 1.956 3.046 6.066
46 3HG2 VAL 5 HG22 VAL 5 3.393 2.468 5.157
47 H LYS 6 HN LYS 6 2.759 7.637 4.218
48 HA LYS 6 HA LYS 6 0.958 8.685 2.267
49 1HB LYS 6 HB2 LYS 6 3.603 9.853 3.302
50 2HB LYS 6 HB3 LYS 6 2.336 10.737 2.389
51 1HG LYS 6 HG2 LYS 6 2.048 9.483 5.189
52 2HG LYS 6 HG3 LYS 6 2.370 11.211 4.863
53 1HD LYS 6 HD2 LYS 6 -0.173 9.853 3.783
54 2HD LYS 6 HD3 LYS 6 -0.035 10.400 5.479
55 1HE LYS 6 HE2 LYS 6 -1.164 12.143 4.211
56 2HE LYS 6 HE3 LYS 6 0.457 12.746 4.740
57 1HZ LYS 6 HZ1 LYS 6 -0.252 11.724 2.038
58 2HZ LYS 6 HZ2 LYS 6 -0.048 13.349 2.489
59 3HZ LYS 6 HZ3 LYS 6 1.276 12.284 2.525
60 H CYS 7 HN CYS 7 1.355 8.850 0.000
61 HA CYS 7 HA CYS 7 3.835 7.696 -1.086
62 1HB CYS 7 HB2 CYS 7 2.706 5.995 -2.324
63 2HB CYS 7 HB3 CYS 7 2.226 5.866 -0.570
64 H THR 8 HN THR 8 3.804 7.872 -3.514
65 HA THR 8 HA THR 8 1.930 9.645 -4.722
66 HB THR 8 HB THR 8 3.525 11.296 -3.778
67 HG1 THR 8 HG1 THR 8 2.475 11.693 -5.711
68 1HG2 THR 8 HG22 THR 8 5.607 9.902 -3.772
69 2HG2 THR 8 HG23 THR 8 5.674 9.970 -5.574
70 3HG2 THR 8 HG21 THR 8 5.840 11.474 -4.605
71 H SER 9 HN SER 9 2.749 6.818 -4.618
72 HA SER 9 HA SER 9 2.847 6.229 -7.338
73 1HB SER 9 HB2 SER 9 5.020 4.981 -7.467
74 2HB SER 9 HB3 SER 9 5.288 6.728 -7.125
75 HG SER 9 HG SER 9 5.355 4.702 -5.201
76 HA PRO 10 HA PRO 10 1.245 2.620 -5.017
77 1HB PRO 10 HB2 PRO 10 1.643 1.097 -7.636
78 2HB PRO 10 HB3 PRO 10 0.213 1.165 -6.538
79 1HG PRO 10 HG2 PRO 10 0.273 2.593 -8.878
80 2HG PRO 10 HG3 PRO 10 -0.386 3.357 -7.370
81 1HD PRO 10 HD2 PRO 10 2.448 3.644 -8.544
82 2HD PRO 10 HD3 PRO 10 1.288 4.943 -7.993
83 H LYS 11 HN LYS 11 4.387 2.575 -6.643
84 HA LYS 11 HA LYS 11 5.442 0.257 -5.407
85 1HB LYS 11 HB2 LYS 11 6.790 2.598 -6.845
86 2HB LYS 11 HB3 LYS 11 7.668 1.167 -6.197
87 1HG LYS 11 HG2 LYS 11 7.443 0.650 -8.411
88 2HG LYS 11 HG3 LYS 11 6.171 -0.327 -7.606
89 1HD LYS 11 HD2 LYS 11 4.456 1.402 -8.371
90 2HD LYS 11 HD3 LYS 11 5.769 2.284 -9.220
91 1HE LYS 11 HE2 LYS 11 4.895 -0.644 -9.739
92 2HE LYS 11 HE3 LYS 11 4.400 0.786 -10.736
93 1HZ LYS 11 HZ3 LYS 11 7.180 -0.187 -10.334
94 2HZ LYS 11 HZ1 LYS 11 6.220 -0.409 -11.718
95 3HZ LYS 11 HZ2 LYS 11 6.712 1.153 -11.266
96 H GLN 12 HN GLN 12 4.779 3.446 -4.085
97 HA GLN 12 HA GLN 12 6.743 3.287 -1.973
98 1HB GLN 12 HB2 GLN 12 6.373 5.389 -3.165
99 2HB GLN 12 HB3 GLN 12 4.697 5.411 -2.752
100 1HG GLN 12 HG2 GLN 12 5.323 5.774 -0.318
101 2HG GLN 12 HG3 GLN 12 7.044 5.370 -0.696
102 1HE2 GLN 12 HE22 GLN 12 6.975 9.050 -0.460
103 2HE2 GLN 12 HE21 GLN 12 6.837 7.668 0.576
104 H CYS 13 HN CYS 13 3.791 1.892 -2.728
105 HA CYS 13 HA CYS 13 2.801 1.814 0.035
106 1HB CYS 13 HB2 CYS 13 1.311 3.070 -1.572
107 2HB CYS 13 HB3 CYS 13 1.335 1.695 -2.695
108 H SER 14 HN SER 14 4.254 0.026 -2.630
109 HA SER 14 HA SER 14 3.337 -2.568 -1.704
110 1HB SER 14 HB2 SER 14 5.284 -1.735 -3.933
111 2HB SER 14 HB3 SER 14 4.831 -3.441 -3.542
112 HG SER 14 HG SER 14 3.068 -1.366 -4.294
113 H LYS 15 HN LYS 15 5.477 -0.279 -0.542
114 HA LYS 15 HA LYS 15 7.600 -1.923 0.377
115 1HB LYS 15 HB2 LYS 15 6.691 0.966 0.523
116 2HB LYS 15 HB3 LYS 15 7.910 0.379 1.686
117 1HG LYS 15 HG2 LYS 15 9.352 -0.327 -0.262
118 2HG LYS 15 HG3 LYS 15 8.061 0.241 -1.384
119 1HD LYS 15 HD2 LYS 15 8.278 2.564 -0.409
120 2HD LYS 15 HD3 LYS 15 9.662 1.997 0.584
121 1HE LYS 15 HE2 LYS 15 9.530 1.991 -2.518
122 2HE LYS 15 HE3 LYS 15 10.420 3.191 -1.496
123 1HZ LYS 15 HZ3 LYS 15 10.939 0.266 -1.612
124 2HZ LYS 15 HZ1 LYS 15 11.857 1.488 -2.353
125 3HZ LYS 15 HZ2 LYS 15 11.775 1.396 -0.658
126 HA PRO 16 HA PRO 16 5.248 -1.652 4.562
127 1HB PRO 16 HB2 PRO 16 2.739 -0.486 4.744
128 2HB PRO 16 HB3 PRO 16 4.303 0.409 4.918
129 1HG PRO 16 HG2 PRO 16 2.588 -0.093 2.474
130 2HG PRO 16 HG3 PRO 16 3.078 1.538 3.084
131 1HD PRO 16 HD2 PRO 16 4.526 0.388 1.116
132 2HD PRO 16 HD3 PRO 16 5.432 1.093 2.489
133 H CYS 17 HN CYS 17 2.858 -2.133 1.832
134 HA CYS 17 HA CYS 17 1.388 -4.118 3.091
135 1HB CYS 17 HB2 CYS 17 1.507 -3.405 0.125
136 2HB CYS 17 HB3 CYS 17 0.248 -4.421 0.910
137 H LYS 18 HN LYS 18 4.358 -4.381 0.993
138 HA LYS 18 HA LYS 18 4.099 -7.292 0.940
139 1HB LYS 18 HB2 LYS 18 6.242 -5.495 -0.234
140 2HB LYS 18 HB3 LYS 18 6.228 -7.295 -0.316
141 1HG LYS 18 HG2 LYS 18 3.946 -7.218 -1.340
142 2HG LYS 18 HG3 LYS 18 4.060 -5.424 -1.394
143 1HD LYS 18 HD2 LYS 18 6.046 -5.593 -2.904
144 2HD LYS 18 HD3 LYS 18 5.991 -7.392 -2.791
145 1HE LYS 18 HE2 LYS 18 3.724 -7.410 -3.877
146 2HE LYS 18 HE3 LYS 18 3.759 -5.602 -3.988
147 1HZ LYS 18 HZ3 LYS 18 5.679 -7.476 -5.270
148 2HZ LYS 18 HZ1 LYS 18 4.407 -6.648 -6.033
149 3HZ LYS 18 HZ2 LYS 18 5.711 -5.782 -5.375
150 H GLU 19 HN GLU 19 5.247 -4.924 3.100
151 HA GLU 19 HA GLU 19 6.974 -6.770 4.568
152 1HB GLU 19 HB2 GLU 19 7.415 -4.317 4.426
153 2HB GLU 19 HB3 GLU 19 5.968 -4.013 5.431
154 1HG GLU 19 HG2 GLU 19 7.030 -5.336 7.317
155 2HG GLU 19 HG3 GLU 19 8.460 -5.656 6.265
156 H LEU 20 HN LEU 20 3.598 -5.965 4.352
157 HA LEU 20 HA LEU 20 2.812 -7.152 6.897
158 1HB LEU 20 HB2 LEU 20 1.348 -5.692 4.633
159 2HB LEU 20 HB3 LEU 20 0.434 -6.505 5.977
160 HG LEU 20 HG LEU 20 2.326 -4.145 6.207
161 1HD1 LEU 20 HD11 LEU 20 0.138 -3.618 5.226
162 2HD1 LEU 20 HD12 LEU 20 -0.707 -4.380 6.626
163 3HD1 LEU 20 HD13 LEU 20 0.296 -2.898 6.870
164 1HD2 LEU 20 HD23 LEU 20 0.810 -5.628 8.452
165 2HD2 LEU 20 HD21 LEU 20 2.603 -5.505 8.271
166 3HD2 LEU 20 HD22 LEU 20 1.635 -4.034 8.627
167 H TYR 21 HN TYR 21 1.800 -7.520 3.444
168 HA TYR 21 HA TYR 21 0.591 -10.080 4.003
169 1HB TYR 21 HB2 TYR 21 0.345 -8.108 1.661
170 2HB TYR 21 HB3 TYR 21 -0.529 -9.680 1.739
171 HD1 TYR 21 HD1 TYR 21 -0.298 -6.257 3.303
172 HD2 TYR 21 HD2 TYR 21 -2.263 -10.090 3.296
173 HE1 TYR 21 HE1 TYR 21 -2.117 -5.332 4.667
174 HE2 TYR 21 HE2 TYR 21 -4.106 -9.148 4.636
175 HH TYR 21 HH TYR 21 -4.931 -7.334 5.668
176 H GLY 22 HN GLY 22 3.619 -9.039 2.779
177 1HA GLY 22 HA1 GLY 22 5.269 -10.509 2.589
178 2HA GLY 22 HA2 GLY 22 4.165 -11.810 2.047
179 H SER 23 HN SER 23 3.258 -11.575 -0.167
180 HA SER 23 HA SER 23 4.810 -10.068 -2.105
181 1HB SER 23 HB2 SER 23 4.655 -13.162 -2.128
182 2HB SER 23 HB3 SER 23 5.228 -12.148 -3.513
183 HG SER 23 HG SER 23 6.895 -12.966 -2.266
184 H SER 24 HN SER 24 2.009 -11.291 -0.744
185 HA SER 24 HA SER 24 0.403 -11.300 -3.198
186 1HB SER 24 HB2 SER 24 0.278 -13.275 -1.640
187 2HB SER 24 HB3 SER 24 -0.325 -12.203 -0.337
188 HG SER 24 HG SER 24 -1.507 -12.650 -2.892
189 H ALA 25 HN ALA 25 0.916 -8.854 -3.277
190 HA ALA 25 HA ALA 25 -1.183 -7.401 -1.936
191 1HB ALA 25 HB2 ALA 25 1.780 -6.587 -1.592
192 2HB ALA 25 HB3 ALA 25 0.355 -5.587 -1.124
193 3HB ALA 25 HB1 ALA 25 0.685 -7.139 -0.283
194 H GLY 26 HN GLY 26 -2.168 -6.535 -3.577
195 1HA GLY 26 HA1 GLY 26 -0.664 -5.235 -5.770
196 2HA GLY 26 HA2 GLY 26 -2.373 -5.826 -5.785
197 H ALA 27 HN ALA 27 -0.129 -3.685 -4.050
198 HA ALA 27 HA ALA 27 -2.085 -2.354 -2.509
199 1HB ALA 27 HB3 ALA 27 0.174 -3.024 -1.726
200 2HB ALA 27 HB1 ALA 27 0.931 -1.856 -2.855
201 3HB ALA 27 HB2 ALA 27 -0.119 -1.275 -1.502
202 H LYS 28 HN LYS 28 -2.706 -0.086 -2.602
203 HA LYS 28 HA LYS 28 -2.450 1.083 -5.303
204 1HB LYS 28 HB2 LYS 28 -4.896 1.084 -3.430
205 2HB LYS 28 HB3 LYS 28 -4.836 1.707 -5.128
206 1HG LYS 28 HG2 LYS 28 -4.236 -0.761 -5.753
207 2HG LYS 28 HG3 LYS 28 -4.811 -1.142 -4.080
208 1HD LYS 28 HD2 LYS 28 -7.013 -0.077 -4.598
209 2HD LYS 28 HD3 LYS 28 -6.455 0.291 -6.266
210 1HE LYS 28 HE2 LYS 28 -6.773 -2.550 -5.059
211 2HE LYS 28 HE3 LYS 28 -7.916 -1.749 -6.210
212 1HZ LYS 28 HZ1 LYS 28 -6.143 -1.663 -7.825
213 2HZ LYS 28 HZ2 LYS 28 -5.068 -2.411 -6.743
214 3HZ LYS 28 HZ3 LYS 28 -6.429 -3.257 -7.309
215 H CYS 29 HN CYS 29 -2.313 3.288 -5.399
216 HA CYS 29 HA CYS 29 -2.012 4.780 -2.857
217 1HB CYS 29 HB2 CYS 29 0.168 4.430 -4.028
218 2HB CYS 29 HB3 CYS 29 -0.483 5.198 -5.498
219 H MET 30 HN MET 30 -3.965 5.696 -2.666
220 HA MET 30 HA MET 30 -5.170 7.138 -4.932
221 1HB MET 30 HB2 MET 30 -6.425 5.954 -2.401
222 2HB MET 30 HB3 MET 30 -7.282 7.059 -3.532
223 1HG MET 30 HG2 MET 30 -6.724 5.411 -5.411
224 2HG MET 30 HG3 MET 30 -6.125 4.286 -4.156
225 1HE MET 30 HE2 MET 30 -9.088 6.038 -5.917
226 2HE MET 30 HE3 MET 30 -10.535 5.637 -4.932
227 3HE MET 30 HE1 MET 30 -9.319 6.796 -4.303
228 H ASN 31 HN ASN 31 -4.769 9.445 -4.714
229 HA ASN 31 HA ASN 31 -4.649 11.429 -3.913
230 1HB ASN 31 HB2 ASN 31 -5.210 10.447 -1.060
231 2HB ASN 31 HB3 ASN 31 -5.131 12.157 -1.611
232 1HD2 ASN 31 HD22 ASN 31 -8.610 10.121 -1.964
233 2HD2 ASN 31 HD21 ASN 31 -7.262 9.597 -1.012
234 H GLY 32 HN GLY 32 -3.289 10.015 -0.976
235 1HA GLY 32 HA1 GLY 32 -0.716 9.609 -1.905
236 2HA GLY 32 HA2 GLY 32 -0.812 11.187 -0.990
237 H LYS 33 HN LYS 33 -2.419 7.948 -0.768
238 HA LYS 33 HA LYS 33 -1.287 7.363 1.809
239 1HB LYS 33 HB2 LYS 33 -4.289 7.963 1.566
240 2HB LYS 33 HB3 LYS 33 -3.632 6.834 2.806
241 1HG LYS 33 HG2 LYS 33 -2.047 8.686 3.555
242 2HG LYS 33 HG3 LYS 33 -2.985 9.816 2.524
243 1HD LYS 33 HD2 LYS 33 -5.086 9.227 3.767
244 2HD LYS 33 HD3 LYS 33 -4.127 8.146 4.843
245 1HE LYS 33 HE2 LYS 33 -2.760 10.132 5.607
246 2HE LYS 33 HE3 LYS 33 -3.744 11.210 4.536
247 1HZ LYS 33 HZ3 LYS 33 -5.695 10.572 5.786
248 2HZ LYS 33 HZ1 LYS 33 -4.770 9.563 6.790
249 3HZ LYS 33 HZ2 LYS 33 -4.507 11.241 6.798
250 H CYS 34 HN CYS 34 -1.696 5.165 2.329
251 HA CYS 34 HA CYS 34 -1.628 3.606 -0.130
252 1HB CYS 34 HB2 CYS 34 0.429 3.885 1.192
253 2HB CYS 34 HB3 CYS 34 -0.388 3.297 2.663
254 H LYS 35 HN LYS 35 -2.766 1.773 -0.434
255 HA LYS 35 HA LYS 35 -4.556 0.740 1.668
256 1HB LYS 35 HB2 LYS 35 -4.853 0.657 -1.403
257 2HB LYS 35 HB3 LYS 35 -5.972 -0.092 -0.197
258 1HG LYS 35 HG2 LYS 35 -6.668 2.063 0.602
259 2HG LYS 35 HG3 LYS 35 -5.366 2.910 -0.289
260 1HD LYS 35 HD2 LYS 35 -7.250 3.359 -1.579
261 2HD LYS 35 HD3 LYS 35 -6.353 2.045 -2.451
262 1HE LYS 35 HE2 LYS 35 -8.289 0.970 -2.663
263 2HE LYS 35 HE3 LYS 35 -8.215 0.608 -0.893
264 1HZ LYS 35 HZ1 LYS 35 -9.525 2.962 -2.159
265 2HZ LYS 35 HZ2 LYS 35 -10.300 1.582 -1.544
266 3HZ LYS 35 HZ3 LYS 35 -9.467 2.628 -0.494
267 H CYS 36 HN CYS 36 -4.552 -1.490 1.862
268 HA CYS 36 HA CYS 36 -2.521 -3.012 0.288
269 1HB CYS 36 HB2 CYS 36 -3.313 -3.730 3.147
270 2HB CYS 36 HB3 CYS 36 -2.115 -4.553 1.995
271 H TYR 37 HN TYR 37 -3.191 -4.785 -0.736
272 HA TYR 37 HA TYR 37 -5.880 -5.849 -0.307
273 1HB TYR 37 HB2 TYR 37 -4.436 -4.779 -2.810
274 2HB TYR 37 HB3 TYR 37 -5.665 -6.079 -2.973
275 HD1 TYR 37 HD2 TYR 37 -7.963 -5.717 -2.194
276 HD2 TYR 37 HD1 TYR 37 -5.162 -2.424 -2.320
277 HE1 TYR 37 HE2 TYR 37 -9.821 -4.106 -2.068
278 HE2 TYR 37 HE1 TYR 37 -6.976 -0.859 -2.229
279 HH TYR 37 HH TYR 37 -9.264 -0.572 -2.111
280 H ASN 38 HN ASN 38 -5.786 -8.006 -1.789
281 HA ASN 38 HA ASN 38 -3.311 -9.496 -1.132
282 1HB ASN 38 HB2 ASN 38 -6.260 -10.335 -0.738
283 2HB ASN 38 HB3 ASN 38 -4.885 -11.504 -0.765
284 1HD2 ASN 38 HD22 ASN 38 -5.529 -9.146 2.567
285 2HD2 ASN 38 HD21 ASN 38 -6.440 -8.892 1.115
286 H ASN 39 HN ASN 39 -2.588 -9.124 -3.318
287 HA ASN 39 HA ASN 39 -4.039 -10.723 -5.341
288 1HB ASN 39 HB2 ASN 39 -2.584 -8.054 -5.829
289 2HB ASN 39 HB3 ASN 39 -3.247 -9.143 -7.098
290 1HD2 ASN 39 HD21 ASN 39 -6.737 -8.387 -6.332
291 2HD2 ASN 39 HD22 ASN 39 -5.699 -9.703 -6.773
292 1H NH2 40 HT1 ASN 39 -0.980 -12.472 -5.328
293 2H NH2 40 HT2 ASN 39 -2.698 -12.519 -5.109
No H/Q in entry = 293
Start of MODEL 28
1 1H THR 1 HN2 THR 1 -7.931 -2.507 6.716
2 2H THR 1 HN THR 1 -8.915 -2.747 5.353
3 3H THR 1 HN3 THR 1 -8.627 -4.030 6.430
4 HA THR 1 HA THR 1 -6.343 -4.031 5.906
5 HB THR 1 HB THR 1 -7.996 -5.449 4.707
6 HG1 THR 1 HG1 THR 1 -5.799 -4.677 3.125
7 1HG2 THR 1 HG23 THR 1 -9.238 -3.631 3.480
8 2HG2 THR 1 HG21 THR 1 -7.811 -3.373 2.410
9 3HG2 THR 1 HG22 THR 1 -8.677 -4.947 2.391
10 H ILE 2 HN ILE 2 -7.547 -1.011 5.498
11 HA ILE 2 HA ILE 2 -5.592 -0.050 3.528
12 HB ILE 2 HB ILE 2 -8.145 1.160 4.686
13 1HG1 ILE 2 HG12 ILE 2 -7.429 0.243 1.819
14 2HG1 ILE 2 HG13 ILE 2 -8.431 -0.668 2.982
15 1HG2 ILE 2 HG21 ILE 2 -5.963 2.412 2.883
16 2HG2 ILE 2 HG22 ILE 2 -7.635 3.067 3.008
17 3HG2 ILE 2 HG23 ILE 2 -6.584 3.028 4.446
18 1HD1 ILE 2 HD11 ILE 2 -10.097 1.207 3.068
19 2HD1 ILE 2 HD12 ILE 2 -9.144 2.092 1.817
20 3HD1 ILE 2 HD13 ILE 2 -9.893 0.507 1.419
21 H ILE 3 HN ILE 3 -3.871 0.989 4.226
22 HA ILE 3 HA ILE 3 -3.500 1.429 7.121
23 HB ILE 3 HB ILE 3 -1.149 1.157 6.763
24 1HG1 ILE 3 HG12 ILE 3 -1.928 0.217 3.920
25 2HG1 ILE 3 HG13 ILE 3 -1.100 1.775 4.279
26 1HG2 ILE 3 HG21 ILE 3 -2.781 -0.617 7.518
27 2HG2 ILE 3 HG22 ILE 3 -2.901 -1.195 5.814
28 3HG2 ILE 3 HG23 ILE 3 -1.332 -1.270 6.691
29 1HD1 ILE 3 HD11 ILE 3 0.730 0.540 5.443
30 2HD1 ILE 3 HD12 ILE 3 -0.029 -1.028 4.983
31 3HD1 ILE 3 HD13 ILE 3 0.586 0.063 3.697
32 H ASN 4 HN ASN 4 -1.385 3.095 7.249
33 HA ASN 4 HA ASN 4 -2.140 5.564 5.835
34 1HB ASN 4 HB2 ASN 4 -3.135 5.473 8.180
35 2HB ASN 4 HB3 ASN 4 -1.485 5.346 8.851
36 1HD2 ASN 4 HD22 ASN 4 -1.004 8.874 8.773
37 2HD2 ASN 4 HD21 ASN 4 -0.520 7.320 9.366
38 H VAL 5 HN VAL 5 -0.437 4.923 4.392
39 HA VAL 5 HA VAL 5 2.161 5.890 5.319
40 HB VAL 5 HB VAL 5 1.606 3.380 3.650
41 1HG1 VAL 5 HG13 VAL 5 4.169 5.112 3.571
42 2HG1 VAL 5 HG11 VAL 5 4.089 3.391 3.047
43 3HG1 VAL 5 HG12 VAL 5 3.127 4.602 2.173
44 1HG2 VAL 5 HG21 VAL 5 3.460 4.024 6.035
45 2HG2 VAL 5 HG22 VAL 5 1.952 3.030 6.069
46 3HG2 VAL 5 HG23 VAL 5 3.398 2.446 5.177
47 H LYS 6 HN LYS 6 2.689 7.646 4.206
48 HA LYS 6 HA LYS 6 0.836 8.615 2.265
49 1HB LYS 6 HB2 LYS 6 3.452 9.920 3.232
50 2HB LYS 6 HB3 LYS 6 2.075 10.728 2.401
51 1HG LYS 6 HG2 LYS 6 2.044 9.461 5.217
52 2HG LYS 6 HG3 LYS 6 2.195 11.203 4.826
53 1HD LYS 6 HD2 LYS 6 -0.069 11.182 3.775
54 2HD LYS 6 HD3 LYS 6 -0.250 9.439 4.192
55 1HE LYS 6 HE2 LYS 6 -0.080 9.971 6.631
56 2HE LYS 6 HE3 LYS 6 0.156 11.725 6.241
57 1HZ LYS 6 HZ3 LYS 6 -2.237 10.092 5.581
58 2HZ LYS 6 HZ1 LYS 6 -2.099 11.227 6.836
59 3HZ LYS 6 HZ2 LYS 6 -2.012 11.736 5.218
60 H CYS 7 HN CYS 7 1.224 8.773 -0.020
61 HA CYS 7 HA CYS 7 3.761 7.704 -1.087
62 1HB CYS 7 HB2 CYS 7 2.667 5.997 -2.350
63 2HB CYS 7 HB3 CYS 7 2.185 5.849 -0.600
64 H THR 8 HN THR 8 3.722 7.850 -3.529
65 HA THR 8 HA THR 8 1.850 9.603 -4.754
66 HB THR 8 HB THR 8 3.416 11.285 -3.820
67 HG1 THR 8 HG1 THR 8 2.377 11.648 -5.763
68 1HG2 THR 8 HG23 THR 8 5.515 9.922 -3.779
69 2HG2 THR 8 HG21 THR 8 5.596 9.965 -5.580
70 3HG2 THR 8 HG22 THR 8 5.735 11.485 -4.632
71 H SER 9 HN SER 9 2.665 6.792 -4.637
72 HA SER 9 HA SER 9 2.797 6.168 -7.339
73 1HB SER 9 HB2 SER 9 4.987 4.947 -7.450
74 2HB SER 9 HB3 SER 9 5.230 6.704 -7.135
75 HG SER 9 HG SER 9 5.326 4.710 -5.179
76 HA PRO 10 HA PRO 10 1.220 2.582 -4.973
77 1HB PRO 10 HB2 PRO 10 1.646 1.048 -7.583
78 2HB PRO 10 HB3 PRO 10 0.239 1.064 -6.454
79 1HG PRO 10 HG2 PRO 10 0.199 2.505 -8.791
80 2HG PRO 10 HG3 PRO 10 -0.433 3.258 -7.266
81 1HD PRO 10 HD2 PRO 10 2.362 3.596 -8.518
82 2HD PRO 10 HD3 PRO 10 1.198 4.875 -7.931
83 H LYS 11 HN LYS 11 4.396 2.496 -6.606
84 HA LYS 11 HA LYS 11 5.366 0.218 -5.154
85 1HB LYS 11 HB2 LYS 11 6.854 2.269 -6.850
86 2HB LYS 11 HB3 LYS 11 7.549 0.743 -6.197
87 1HG LYS 11 HG2 LYS 11 5.286 1.020 -8.260
88 2HG LYS 11 HG3 LYS 11 6.974 0.486 -8.551
89 1HD LYS 11 HD2 LYS 11 4.837 -1.019 -6.908
90 2HD LYS 11 HD3 LYS 11 5.383 -1.403 -8.573
91 1HE LYS 11 HE2 LYS 11 7.688 -1.929 -7.717
92 2HE LYS 11 HE3 LYS 11 7.152 -1.546 -6.029
93 1HZ LYS 11 HZ1 LYS 11 6.024 -3.664 -7.781
94 2HZ LYS 11 HZ2 LYS 11 7.096 -3.883 -6.481
95 3HZ LYS 11 HZ3 LYS 11 5.527 -3.296 -6.199
96 H GLN 12 HN GLN 12 4.706 3.385 -4.031
97 HA GLN 12 HA GLN 12 6.746 3.329 -1.966
98 1HB GLN 12 HB2 GLN 12 6.329 5.410 -3.164
99 2HB GLN 12 HB3 GLN 12 4.655 5.407 -2.749
100 1HG GLN 12 HG2 GLN 12 5.279 5.806 -0.321
101 2HG GLN 12 HG3 GLN 12 7.006 5.425 -0.698
102 1HE2 GLN 12 HE22 GLN 12 6.876 9.106 -0.498
103 2HE2 GLN 12 HE21 GLN 12 6.759 7.734 0.552
104 H CYS 13 HN CYS 13 3.895 1.783 -2.671
105 HA CYS 13 HA CYS 13 2.884 1.714 0.082
106 1HB CYS 13 HB2 CYS 13 1.397 2.979 -1.477
107 2HB CYS 13 HB3 CYS 13 1.435 1.645 -2.651
108 H SER 14 HN SER 14 4.366 -0.049 -2.577
109 HA SER 14 HA SER 14 3.513 -2.693 -1.706
110 1HB SER 14 HB2 SER 14 5.566 -1.751 -3.816
111 2HB SER 14 HB3 SER 14 5.090 -3.469 -3.510
112 HG SER 14 HG SER 14 3.388 -1.363 -4.315
113 H LYS 15 HN LYS 15 5.549 -0.322 -0.479
114 HA LYS 15 HA LYS 15 7.708 -1.906 0.477
115 1HB LYS 15 HB2 LYS 15 6.744 0.972 0.598
116 2HB LYS 15 HB3 LYS 15 7.984 0.406 1.743
117 1HG LYS 15 HG2 LYS 15 9.409 -0.279 -0.230
118 2HG LYS 15 HG3 LYS 15 8.093 0.281 -1.330
119 1HD LYS 15 HD2 LYS 15 8.297 2.598 -0.367
120 2HD LYS 15 HD3 LYS 15 9.682 2.050 0.637
121 1HE LYS 15 HE2 LYS 15 9.575 2.035 -2.466
122 2HE LYS 15 HE3 LYS 15 10.438 3.252 -1.439
123 1HZ LYS 15 HZ1 LYS 15 11.000 0.335 -1.541
124 2HZ LYS 15 HZ2 LYS 15 11.907 1.567 -2.277
125 3HZ LYS 15 HZ3 LYS 15 11.811 1.480 -0.584
126 HA PRO 16 HA PRO 16 5.230 -1.689 4.591
127 1HB PRO 16 HB2 PRO 16 2.726 -0.522 4.720
128 2HB PRO 16 HB3 PRO 16 4.284 0.369 4.953
129 1HG PRO 16 HG2 PRO 16 2.637 -0.087 2.453
130 2HG PRO 16 HG3 PRO 16 3.114 1.530 3.105
131 1HD PRO 16 HD2 PRO 16 4.614 0.406 1.157
132 2HD PRO 16 HD3 PRO 16 5.486 1.089 2.566
133 H CYS 17 HN CYS 17 2.904 -2.112 1.784
134 HA CYS 17 HA CYS 17 1.452 -4.165 2.936
135 1HB CYS 17 HB2 CYS 17 1.662 -3.451 -0.029
136 2HB CYS 17 HB3 CYS 17 0.412 -4.506 0.714
137 H LYS 18 HN LYS 18 4.551 -4.350 1.043
138 HA LYS 18 HA LYS 18 4.342 -7.256 0.974
139 1HB LYS 18 HB2 LYS 18 6.527 -5.458 -0.091
140 2HB LYS 18 HB3 LYS 18 6.563 -7.260 -0.119
141 1HG LYS 18 HG2 LYS 18 4.381 -7.307 -1.277
142 2HG LYS 18 HG3 LYS 18 4.391 -5.509 -1.366
143 1HD LYS 18 HD2 LYS 18 6.486 -5.586 -2.741
144 2HD LYS 18 HD3 LYS 18 6.503 -7.381 -2.641
145 1HE LYS 18 HE2 LYS 18 4.265 -5.684 -3.960
146 2HE LYS 18 HE3 LYS 18 5.587 -6.553 -4.841
147 1HZ LYS 18 HZ1 LYS 18 4.754 -8.618 -3.941
148 2HZ LYS 18 HZ2 LYS 18 3.511 -7.803 -3.119
149 3HZ LYS 18 HZ3 LYS 18 3.552 -7.796 -4.816
150 H GLU 19 HN GLU 19 5.319 -4.895 3.196
151 HA GLU 19 HA GLU 19 6.975 -6.732 4.755
152 1HB GLU 19 HB2 GLU 19 7.419 -4.256 4.643
153 2HB GLU 19 HB3 GLU 19 5.914 -3.968 5.549
154 1HG GLU 19 HG2 GLU 19 7.873 -3.836 7.032
155 2HG GLU 19 HG3 GLU 19 6.853 -5.230 7.520
156 H LEU 20 HN LEU 20 3.617 -5.939 4.371
157 HA LEU 20 HA LEU 20 2.739 -7.139 6.898
158 1HB LEU 20 HB2 LEU 20 1.336 -5.541 4.675
159 2HB LEU 20 HB3 LEU 20 0.421 -6.339 6.031
160 HG LEU 20 HG LEU 20 2.381 -4.030 6.223
161 1HD1 LEU 20 HD13 LEU 20 0.147 -3.464 5.355
162 2HD1 LEU 20 HD11 LEU 20 -0.628 -4.221 6.797
163 3HD1 LEU 20 HD12 LEU 20 0.414 -2.759 6.993
164 1HD2 LEU 20 HD23 LEU 20 0.954 -5.523 8.518
165 2HD2 LEU 20 HD21 LEU 20 2.738 -5.426 8.250
166 3HD2 LEU 20 HD22 LEU 20 1.813 -3.945 8.674
167 H TYR 21 HN TYR 21 1.578 -7.217 3.508
168 HA TYR 21 HA TYR 21 0.574 -9.943 3.791
169 1HB TYR 21 HB2 TYR 21 -0.092 -7.628 1.828
170 2HB TYR 21 HB3 TYR 21 -0.930 -9.219 1.859
171 HD1 TYR 21 HD1 TYR 21 -2.354 -9.824 3.779
172 HD2 TYR 21 HD2 TYR 21 -0.573 -5.917 3.497
173 HE1 TYR 21 HE1 TYR 21 -4.024 -8.947 5.373
174 HE2 TYR 21 HE2 TYR 21 -2.245 -5.040 5.073
175 HH TYR 21 HH TYR 21 -4.036 -5.485 6.352
176 H GLY 22 HN GLY 22 3.412 -9.718 3.298
177 1HA GLY 22 HA1 GLY 22 4.031 -9.435 0.557
178 2HA GLY 22 HA2 GLY 22 5.074 -9.870 1.945
179 H SER 23 HN SER 23 2.814 -11.153 -0.464
180 HA SER 23 HA SER 23 4.558 -13.292 -1.109
181 1HB SER 23 HB2 SER 23 1.704 -13.937 -0.048
182 2HB SER 23 HB3 SER 23 2.690 -15.078 -1.045
183 HG SER 23 HG SER 23 2.827 -15.478 1.148
184 H SER 24 HN SER 24 1.129 -12.214 -1.324
185 HA SER 24 HA SER 24 1.510 -11.419 -4.116
186 1HB SER 24 HB2 SER 24 0.512 -13.746 -4.030
187 2HB SER 24 HB3 SER 24 -0.802 -13.125 -2.987
188 HG SER 24 HG SER 24 -1.351 -13.255 -5.193
189 H ALA 25 HN ALA 25 1.887 -9.421 -2.627
190 HA ALA 25 HA ALA 25 -0.430 -8.280 -1.360
191 1HB ALA 25 HB2 ALA 25 1.862 -7.798 -0.487
192 2HB ALA 25 HB3 ALA 25 2.273 -6.941 -2.010
193 3HB ALA 25 HB1 ALA 25 1.001 -6.293 -0.933
194 H GLY 26 HN GLY 26 -1.895 -6.857 -2.178
195 1HA GLY 26 HA1 GLY 26 -1.425 -5.515 -4.753
196 2HA GLY 26 HA2 GLY 26 -2.964 -5.725 -3.829
197 H ALA 27 HN ALA 27 -1.527 -3.199 -4.752
198 HA ALA 27 HA ALA 27 -1.417 -1.799 -2.209
199 1HB ALA 27 HB2 ALA 27 1.027 -2.106 -4.079
200 2HB ALA 27 HB3 ALA 27 0.895 -0.876 -2.766
201 3HB ALA 27 HB1 ALA 27 0.924 -2.624 -2.364
202 H LYS 28 HN LYS 28 -2.644 -0.001 -2.648
203 HA LYS 28 HA LYS 28 -2.514 1.165 -5.367
204 1HB LYS 28 HB2 LYS 28 -4.868 1.104 -3.380
205 2HB LYS 28 HB3 LYS 28 -4.889 1.891 -5.019
206 1HG LYS 28 HG2 LYS 28 -4.599 -1.094 -4.411
207 2HG LYS 28 HG3 LYS 28 -6.106 -0.240 -4.901
208 1HD LYS 28 HD2 LYS 28 -5.083 0.365 -7.089
209 2HD LYS 28 HD3 LYS 28 -3.558 -0.472 -6.625
210 1HE LYS 28 HE2 LYS 28 -4.792 -2.659 -6.461
211 2HE LYS 28 HE3 LYS 28 -6.323 -1.826 -6.951
212 1HZ LYS 28 HZ2 LYS 28 -3.826 -2.000 -8.557
213 2HZ LYS 28 HZ3 LYS 28 -5.246 -2.901 -8.791
214 3HZ LYS 28 HZ1 LYS 28 -5.261 -1.219 -9.019
215 H CYS 29 HN CYS 29 -2.477 3.330 -5.447
216 HA CYS 29 HA CYS 29 -2.062 4.837 -2.925
217 1HB CYS 29 HB2 CYS 29 0.108 4.459 -4.124
218 2HB CYS 29 HB3 CYS 29 -0.545 5.264 -5.573
219 H MET 30 HN MET 30 -3.898 5.894 -2.683
220 HA MET 30 HA MET 30 -5.125 7.337 -4.939
221 1HB MET 30 HB2 MET 30 -6.402 6.074 -2.445
222 2HB MET 30 HB3 MET 30 -7.274 7.188 -3.546
223 1HG MET 30 HG2 MET 30 -6.102 4.438 -4.223
224 2HG MET 30 HG3 MET 30 -7.826 4.857 -4.011
225 1HE MET 30 HE2 MET 30 -9.262 6.259 -5.588
226 2HE MET 30 HE3 MET 30 -8.140 7.665 -5.581
227 3HE MET 30 HE1 MET 30 -8.728 6.995 -7.137
228 H ASN 31 HN ASN 31 -4.772 9.637 -4.613
229 HA ASN 31 HA ASN 31 -4.690 11.580 -3.713
230 1HB ASN 31 HB2 ASN 31 -5.260 10.446 -0.918
231 2HB ASN 31 HB3 ASN 31 -5.223 12.182 -1.388
232 1HD2 ASN 31 HD22 ASN 31 -8.644 10.082 -1.853
233 2HD2 ASN 31 HD21 ASN 31 -7.293 9.562 -0.902
234 H GLY 32 HN GLY 32 -3.344 10.034 -0.840
235 1HA GLY 32 HA1 GLY 32 -0.750 9.728 -1.717
236 2HA GLY 32 HA2 GLY 32 -0.894 11.267 -0.741
237 H LYS 33 HN LYS 33 -2.411 7.978 -0.721
238 HA LYS 33 HA LYS 33 -1.341 7.302 1.862
239 1HB LYS 33 HB2 LYS 33 -4.338 7.843 1.513
240 2HB LYS 33 HB3 LYS 33 -3.749 6.624 2.702
241 1HG LYS 33 HG2 LYS 33 -2.205 8.407 3.652
242 2HG LYS 33 HG3 LYS 33 -3.109 9.629 2.713
243 1HD LYS 33 HD2 LYS 33 -4.473 7.710 4.717
244 2HD LYS 33 HD3 LYS 33 -3.818 9.322 5.140
245 1HE LYS 33 HE2 LYS 33 -6.175 9.630 4.839
246 2HE LYS 33 HE3 LYS 33 -5.362 10.392 3.414
247 1HZ LYS 33 HZ1 LYS 33 -6.666 7.718 3.494
248 2HZ LYS 33 HZ2 LYS 33 -7.294 9.136 2.799
249 3HZ LYS 33 HZ3 LYS 33 -5.902 8.413 2.146
250 H CYS 34 HN CYS 34 -1.677 5.099 2.283
251 HA CYS 34 HA CYS 34 -1.592 3.555 -0.188
252 1HB CYS 34 HB2 CYS 34 0.473 3.804 1.121
253 2HB CYS 34 HB3 CYS 34 -0.352 3.269 2.608
254 H LYS 35 HN LYS 35 -2.851 1.817 -0.517
255 HA LYS 35 HA LYS 35 -4.515 0.727 1.670
256 1HB LYS 35 HB2 LYS 35 -4.947 0.679 -1.388
257 2HB LYS 35 HB3 LYS 35 -5.926 -0.195 -0.154
258 1HG LYS 35 HG2 LYS 35 -6.432 2.000 0.915
259 2HG LYS 35 HG3 LYS 35 -5.696 2.861 -0.478
260 1HD LYS 35 HD2 LYS 35 -7.961 0.780 -0.739
261 2HD LYS 35 HD3 LYS 35 -8.277 2.530 -0.423
262 1HE LYS 35 HE2 LYS 35 -7.072 3.117 -2.565
263 2HE LYS 35 HE3 LYS 35 -6.897 1.351 -2.923
264 1HZ LYS 35 HZ3 LYS 35 -9.454 2.808 -2.544
265 2HZ LYS 35 HZ1 LYS 35 -8.783 2.301 -4.020
266 3HZ LYS 35 HZ2 LYS 35 -9.281 1.150 -2.874
267 H CYS 36 HN CYS 36 -4.400 -1.499 1.946
268 HA CYS 36 HA CYS 36 -2.541 -3.021 0.191
269 1HB CYS 36 HB2 CYS 36 -3.184 -3.776 3.085
270 2HB CYS 36 HB3 CYS 36 -2.060 -4.606 1.866
271 H TYR 37 HN TYR 37 -3.288 -5.039 -0.545
272 HA TYR 37 HA TYR 37 -6.084 -5.729 -0.101
273 1HB TYR 37 HB2 TYR 37 -4.601 -4.865 -2.660
274 2HB TYR 37 HB3 TYR 37 -5.879 -6.110 -2.783
275 HD1 TYR 37 HD1 TYR 37 -8.188 -5.559 -1.817
276 HD2 TYR 37 HD2 TYR 37 -5.190 -2.521 -2.387
277 HE1 TYR 37 HE1 TYR 37 -9.917 -3.808 -1.642
278 HE2 TYR 37 HE2 TYR 37 -6.907 -0.788 -2.230
279 HH TYR 37 HH TYR 37 -10.371 -1.611 -1.682
280 H ASN 38 HN ASN 38 -6.490 -7.910 -0.682
281 HA ASN 38 HA ASN 38 -4.161 -9.696 -0.348
282 1HB ASN 38 HB2 ASN 38 -7.119 -9.975 0.499
283 2HB ASN 38 HB3 ASN 38 -5.928 -11.327 0.558
284 1HD2 ASN 38 HD22 ASN 38 -4.516 -10.377 3.628
285 2HD2 ASN 38 HD21 ASN 38 -4.664 -11.540 2.353
286 H ASN 39 HN ASN 39 -3.604 -10.531 -2.270
287 HA ASN 39 HA ASN 39 -5.703 -11.449 -4.147
288 1HB ASN 39 HB2 ASN 39 -2.810 -10.534 -4.703
289 2HB ASN 39 HB3 ASN 39 -3.917 -11.275 -5.918
290 1HD2 ASN 39 HD22 ASN 39 -4.097 -7.278 -5.229
291 2HD2 ASN 39 HD21 ASN 39 -2.815 -8.304 -4.681
292 1H NH2 40 HT1 ASN 39 -4.906 -13.429 -5.371
293 2H NH2 40 HT2 ASN 39 -4.003 -14.609 -4.482
No H/Q in entry = 293
Start of MODEL 29
1 1H THR 1 HN3 THR 1 -8.429 -3.817 2.767
2 2H THR 1 HN2 THR 1 -6.843 -4.342 3.077
3 3H THR 1 HN THR 1 -8.137 -4.967 3.983
4 HA THR 1 HA THR 1 -8.585 -2.850 4.893
5 HB THR 1 HB THR 1 -7.030 -4.493 5.988
6 HG1 THR 1 HG1 THR 1 -6.475 -1.782 6.508
7 1HG2 THR 1 HG22 THR 1 -5.108 -4.355 4.376
8 2HG2 THR 1 HG23 THR 1 -4.750 -2.677 4.924
9 3HG2 THR 1 HG21 THR 1 -4.597 -4.050 6.070
10 H ILE 2 HN ILE 2 -7.676 -0.619 5.424
11 HA ILE 2 HA ILE 2 -6.234 0.655 3.213
12 HB ILE 2 HB ILE 2 -8.506 1.781 4.952
13 1HG1 ILE 2 HG12 ILE 2 -8.468 0.939 1.986
14 2HG1 ILE 2 HG13 ILE 2 -9.405 0.196 3.310
15 1HG2 ILE 2 HG21 ILE 2 -6.781 3.040 2.711
16 2HG2 ILE 2 HG22 ILE 2 -8.227 3.813 3.463
17 3HG2 ILE 2 HG23 ILE 2 -6.777 3.495 4.451
18 1HD1 ILE 2 HD12 ILE 2 -10.673 2.366 3.621
19 2HD1 ILE 2 HD13 ILE 2 -9.820 3.031 2.174
20 3HD1 ILE 2 HD11 ILE 2 -10.898 1.602 2.003
21 H ILE 3 HN ILE 3 -4.233 1.147 3.992
22 HA ILE 3 HA ILE 3 -3.816 1.561 6.878
23 HB ILE 3 HB ILE 3 -1.559 1.112 6.647
24 1HG1 ILE 3 HG12 ILE 3 -2.021 0.339 3.698
25 2HG1 ILE 3 HG13 ILE 3 -1.255 1.884 4.204
26 1HG2 ILE 3 HG22 ILE 3 -3.314 -0.663 7.089
27 2HG2 ILE 3 HG23 ILE 3 -3.278 -1.094 5.337
28 3HG2 ILE 3 HG21 ILE 3 -1.814 -1.312 6.346
29 1HD1 ILE 3 HD12 ILE 3 0.453 0.644 5.523
30 2HD1 ILE 3 HD13 ILE 3 -0.212 -0.924 4.935
31 3HD1 ILE 3 HD11 ILE 3 0.514 0.218 3.759
32 H ASN 4 HN ASN 4 -1.600 3.177 6.948
33 HA ASN 4 HA ASN 4 -2.219 5.580 5.355
34 1HB ASN 4 HB2 ASN 4 -1.909 5.501 8.427
35 2HB ASN 4 HB3 ASN 4 -1.842 7.004 7.429
36 1HD2 ASN 4 HD21 ASN 4 -3.938 4.951 9.187
37 2HD2 ASN 4 HD22 ASN 4 -5.448 5.520 8.556
38 H VAL 5 HN VAL 5 -0.464 4.930 4.080
39 HA VAL 5 HA VAL 5 2.098 5.808 5.199
40 HB VAL 5 HB VAL 5 1.587 3.396 3.389
41 1HG1 VAL 5 HG12 VAL 5 4.192 5.050 3.624
42 2HG1 VAL 5 HG13 VAL 5 4.118 3.356 3.019
43 3HG1 VAL 5 HG11 VAL 5 3.270 4.631 2.116
44 1HG2 VAL 5 HG21 VAL 5 3.219 3.901 5.965
45 2HG2 VAL 5 HG22 VAL 5 1.695 2.943 5.814
46 3HG2 VAL 5 HG23 VAL 5 3.210 2.358 5.046
47 H LYS 6 HN LYS 6 2.740 7.580 4.218
48 HA LYS 6 HA LYS 6 1.009 8.727 2.267
49 1HB LYS 6 HB2 LYS 6 3.518 10.006 3.484
50 2HB LYS 6 HB3 LYS 6 2.103 10.822 2.730
51 1HG LYS 6 HG2 LYS 6 2.195 9.263 5.391
52 2HG LYS 6 HG3 LYS 6 2.118 11.041 5.179
53 1HD LYS 6 HD2 LYS 6 -0.161 10.852 4.190
54 2HD LYS 6 HD3 LYS 6 -0.089 9.059 4.341
55 1HE LYS 6 HE2 LYS 6 0.126 9.261 6.839
56 2HE LYS 6 HE3 LYS 6 -0.006 11.061 6.697
57 1HZ LYS 6 HZ3 LYS 6 -2.049 9.074 5.846
58 2HZ LYS 6 HZ1 LYS 6 -2.092 10.037 7.245
59 3HZ LYS 6 HZ2 LYS 6 -2.178 10.762 5.711
60 H CYS 7 HN CYS 7 1.520 9.079 0.036
61 HA CYS 7 HA CYS 7 4.061 7.917 -0.952
62 1HB CYS 7 HB2 CYS 7 2.936 6.307 -2.239
63 2HB CYS 7 HB3 CYS 7 2.197 6.239 -0.586
64 H THR 8 HN THR 8 3.845 7.978 -3.501
65 HA THR 8 HA THR 8 2.137 9.947 -4.601
66 HB THR 8 HB THR 8 4.013 11.422 -3.902
67 HG1 THR 8 HG1 THR 8 2.829 11.874 -5.741
68 1HG2 THR 8 HG22 THR 8 5.893 9.759 -4.031
69 2HG2 THR 8 HG23 THR 8 5.791 9.775 -5.831
70 3HG2 THR 8 HG21 THR 8 6.237 11.269 -4.940
71 H SER 9 HN SER 9 2.559 7.028 -4.473
72 HA SER 9 HA SER 9 2.524 6.296 -7.138
73 1HB SER 9 HB2 SER 9 4.675 4.938 -7.295
74 2HB SER 9 HB3 SER 9 4.987 6.698 -7.140
75 HG SER 9 HG SER 9 6.336 5.504 -5.873
76 HA PRO 10 HA PRO 10 1.067 2.597 -4.874
77 1HB PRO 10 HB2 PRO 10 1.536 1.289 -7.604
78 2HB PRO 10 HB3 PRO 10 0.161 1.103 -6.445
79 1HG PRO 10 HG2 PRO 10 -0.065 2.722 -8.644
80 2HG PRO 10 HG3 PRO 10 -0.671 3.322 -7.042
81 1HD PRO 10 HD2 PRO 10 2.052 3.900 -8.365
82 2HD PRO 10 HD3 PRO 10 0.848 5.070 -7.648
83 H LYS 11 HN LYS 11 4.200 2.702 -6.590
84 HA LYS 11 HA LYS 11 5.298 0.373 -5.431
85 1HB LYS 11 HB2 LYS 11 6.066 1.354 -7.556
86 2HB LYS 11 HB3 LYS 11 6.658 2.806 -6.700
87 1HG LYS 11 HG2 LYS 11 8.474 1.243 -7.345
88 2HG LYS 11 HG3 LYS 11 8.413 1.467 -5.569
89 1HD LYS 11 HD2 LYS 11 7.245 -0.736 -5.321
90 2HD LYS 11 HD3 LYS 11 7.275 -0.952 -7.111
91 1HE LYS 11 HE2 LYS 11 9.795 -0.972 -7.056
92 2HE LYS 11 HE3 LYS 11 9.755 -0.713 -5.263
93 1HZ LYS 11 HZ1 LYS 11 8.573 -2.790 -5.044
94 2HZ LYS 11 HZ2 LYS 11 8.611 -3.035 -6.725
95 3HZ LYS 11 HZ3 LYS 11 10.059 -3.009 -5.838
96 H GLN 12 HN GLN 12 4.805 3.631 -4.083
97 HA GLN 12 HA GLN 12 6.696 3.310 -1.937
98 1HB GLN 12 HB2 GLN 12 6.447 5.449 -3.093
99 2HB GLN 12 HB3 GLN 12 4.765 5.538 -2.698
100 1HG GLN 12 HG2 GLN 12 5.378 5.849 -0.257
101 2HG GLN 12 HG3 GLN 12 7.078 5.347 -0.611
102 1HE2 GLN 12 HE22 GLN 12 7.252 9.011 -0.321
103 2HE2 GLN 12 HE21 GLN 12 7.028 7.620 0.685
104 H CYS 13 HN CYS 13 3.809 1.957 -2.709
105 HA CYS 13 HA CYS 13 2.813 1.750 0.049
106 1HB CYS 13 HB2 CYS 13 1.259 2.935 -1.530
107 2HB CYS 13 HB3 CYS 13 1.353 1.593 -2.684
108 H SER 14 HN SER 14 4.403 0.116 -2.646
109 HA SER 14 HA SER 14 3.580 -2.546 -1.874
110 1HB SER 14 HB2 SER 14 5.686 -1.539 -3.887
111 2HB SER 14 HB3 SER 14 5.220 -3.270 -3.649
112 HG SER 14 HG SER 14 3.512 -1.159 -4.425
113 H LYS 15 HN LYS 15 5.737 -0.256 -0.581
114 HA LYS 15 HA LYS 15 7.665 -2.079 0.483
115 1HB LYS 15 HB2 LYS 15 7.335 0.823 0.318
116 2HB LYS 15 HB3 LYS 15 7.823 0.303 1.950
117 1HG LYS 15 HG2 LYS 15 9.866 0.675 0.867
118 2HG LYS 15 HG3 LYS 15 9.667 -1.104 0.877
119 1HD LYS 15 HD2 LYS 15 10.519 -0.595 -1.282
120 2HD LYS 15 HD3 LYS 15 8.773 -0.900 -1.547
121 1HE LYS 15 HE2 LYS 15 9.487 1.061 -2.871
122 2HE LYS 15 HE3 LYS 15 8.393 1.638 -1.550
123 1HZ LYS 15 HZ2 LYS 15 11.364 1.719 -1.534
124 2HZ LYS 15 HZ3 LYS 15 10.313 3.027 -1.801
125 3HZ LYS 15 HZ1 LYS 15 10.342 2.256 -0.288
126 HA PRO 16 HA PRO 16 5.122 -1.709 4.517
127 1HB PRO 16 HB2 PRO 16 2.620 -0.498 4.546
128 2HB PRO 16 HB3 PRO 16 4.189 0.363 4.830
129 1HG PRO 16 HG2 PRO 16 2.622 -0.083 2.279
130 2HG PRO 16 HG3 PRO 16 3.115 1.528 2.925
131 1HD PRO 16 HD2 PRO 16 4.629 0.355 1.039
132 2HD PRO 16 HD3 PRO 16 5.481 1.038 2.472
133 H CYS 17 HN CYS 17 2.851 -2.125 1.675
134 HA CYS 17 HA CYS 17 1.286 -4.073 2.816
135 1HB CYS 17 HB2 CYS 17 1.679 -3.474 -0.169
136 2HB CYS 17 HB3 CYS 17 0.344 -4.445 0.545
137 H LYS 18 HN LYS 18 4.365 -4.401 0.881
138 HA LYS 18 HA LYS 18 4.084 -7.301 0.795
139 1HB LYS 18 HB2 LYS 18 6.271 -5.492 -0.281
140 2HB LYS 18 HB3 LYS 18 6.250 -7.289 -0.408
141 1HG LYS 18 HG2 LYS 18 3.998 -7.165 -1.490
142 2HG LYS 18 HG3 LYS 18 4.132 -5.371 -1.501
143 1HD LYS 18 HD2 LYS 18 6.185 -5.534 -2.930
144 2HD LYS 18 HD3 LYS 18 6.072 -7.327 -2.910
145 1HE LYS 18 HE2 LYS 18 3.935 -5.414 -4.093
146 2HE LYS 18 HE3 LYS 18 5.165 -6.342 -5.045
147 1HZ LYS 18 HZ3 LYS 18 4.202 -8.376 -4.204
148 2HZ LYS 18 HZ1 LYS 18 3.044 -7.506 -3.318
149 3HZ LYS 18 HZ2 LYS 18 3.046 -7.432 -5.014
150 H GLU 19 HN GLU 19 5.152 -5.001 3.046
151 HA GLU 19 HA GLU 19 6.819 -6.895 4.524
152 1HB GLU 19 HB2 GLU 19 7.326 -4.437 4.469
153 2HB GLU 19 HB3 GLU 19 5.824 -4.122 5.373
154 1HG GLU 19 HG2 GLU 19 7.783 -4.062 6.863
155 2HG GLU 19 HG3 GLU 19 6.726 -5.435 7.331
156 H LEU 20 HN LEU 20 3.470 -5.981 4.229
157 HA LEU 20 HA LEU 20 2.582 -7.180 6.731
158 1HB LEU 20 HB2 LEU 20 1.220 -5.663 4.439
159 2HB LEU 20 HB3 LEU 20 0.251 -6.466 5.750
160 HG LEU 20 HG LEU 20 2.166 -4.133 6.041
161 1HD1 LEU 20 HD12 LEU 20 -0.025 -3.604 5.040
162 2HD1 LEU 20 HD13 LEU 20 -0.870 -4.359 6.442
163 3HD1 LEU 20 HD11 LEU 20 0.137 -2.881 6.683
164 1HD2 LEU 20 HD21 LEU 20 0.624 -5.635 8.254
165 2HD2 LEU 20 HD22 LEU 20 2.419 -5.513 8.091
166 3HD2 LEU 20 HD23 LEU 20 1.449 -4.045 8.454
167 H TYR 21 HN TYR 21 1.671 -7.502 3.251
168 HA TYR 21 HA TYR 21 0.405 -10.055 3.745
169 1HB TYR 21 HB2 TYR 21 0.172 -7.985 1.481
170 2HB TYR 21 HB3 TYR 21 -0.688 -9.569 1.473
171 HD1 TYR 21 HD2 TYR 21 -0.510 -6.235 3.198
172 HD2 TYR 21 HD1 TYR 21 -2.420 -10.084 3.003
173 HE1 TYR 21 HE2 TYR 21 -2.324 -5.410 4.653
174 HE2 TYR 21 HE1 TYR 21 -4.244 -9.259 4.440
175 HH TYR 21 HH TYR 21 -4.259 -5.906 5.710
176 H GLY 22 HN GLY 22 3.452 -9.017 2.595
177 1HA GLY 22 HA1 GLY 22 5.084 -10.491 2.386
178 2HA GLY 22 HA2 GLY 22 3.969 -11.778 1.833
179 H SER 23 HN SER 23 3.077 -11.512 -0.402
180 HA SER 23 HA SER 23 4.643 -10.026 -2.307
181 1HB SER 23 HB2 SER 23 6.043 -12.138 -1.808
182 2HB SER 23 HB3 SER 23 4.679 -13.125 -2.425
183 HG SER 23 HG SER 23 6.132 -11.099 -3.809
184 H SER 24 HN SER 24 1.890 -11.469 -1.025
185 HA SER 24 HA SER 24 0.323 -11.305 -3.514
186 1HB SER 24 HB2 SER 24 0.262 -13.502 -2.258
187 2HB SER 24 HB3 SER 24 -0.404 -12.651 -0.829
188 HG SER 24 HG SER 24 -1.978 -13.612 -2.147
189 H ALA 25 HN ALA 25 0.888 -8.892 -3.124
190 HA ALA 25 HA ALA 25 -0.949 -7.618 -1.201
191 1HB ALA 25 HB3 ALA 25 1.833 -6.681 -2.179
192 2HB ALA 25 HB1 ALA 25 0.722 -5.723 -1.152
193 3HB ALA 25 HB2 ALA 25 1.424 -7.257 -0.529
194 H GLY 26 HN GLY 26 -2.527 -6.487 -2.204
195 1HA GLY 26 HA1 GLY 26 -2.165 -5.525 -4.962
196 2HA GLY 26 HA2 GLY 26 -3.675 -5.723 -3.989
197 H ALA 27 HN ALA 27 -0.665 -3.857 -4.365
198 HA ALA 27 HA ALA 27 -1.404 -1.988 -2.276
199 1HB ALA 27 HB2 ALA 27 1.133 -2.295 -4.006
200 2HB ALA 27 HB3 ALA 27 0.923 -1.100 -2.669
201 3HB ALA 27 HB1 ALA 27 0.911 -2.860 -2.318
202 H LYS 28 HN LYS 28 -2.630 -0.270 -2.764
203 HA LYS 28 HA LYS 28 -2.622 0.898 -5.476
204 1HB LYS 28 HB2 LYS 28 -4.935 0.762 -3.435
205 2HB LYS 28 HB3 LYS 28 -5.048 1.304 -5.165
206 1HG LYS 28 HG2 LYS 28 -4.534 -1.522 -4.070
207 2HG LYS 28 HG3 LYS 28 -6.093 -0.886 -4.686
208 1HD LYS 28 HD2 LYS 28 -5.127 -0.632 -6.970
209 2HD LYS 28 HD3 LYS 28 -3.539 -1.242 -6.382
210 1HE LYS 28 HE2 LYS 28 -4.611 -3.442 -5.756
211 2HE LYS 28 HE3 LYS 28 -6.192 -2.840 -6.402
212 1HZ LYS 28 HZ3 LYS 28 -3.668 -3.156 -7.943
213 2HZ LYS 28 HZ1 LYS 28 -5.017 -4.186 -7.985
214 3HZ LYS 28 HZ2 LYS 28 -5.149 -2.591 -8.553
215 H CYS 29 HN CYS 29 -2.612 3.231 -5.407
216 HA CYS 29 HA CYS 29 -2.569 4.445 -2.744
217 1HB CYS 29 HB2 CYS 29 -0.121 3.704 -3.793
218 2HB CYS 29 HB3 CYS 29 -0.228 5.363 -4.401
219 H MET 30 HN MET 30 -3.958 6.005 -2.817
220 HA MET 30 HA MET 30 -4.440 7.485 -5.318
221 1HB MET 30 HB2 MET 30 -6.394 6.628 -3.101
222 2HB MET 30 HB3 MET 30 -6.835 7.716 -4.459
223 1HG MET 30 HG2 MET 30 -5.933 4.791 -4.671
224 2HG MET 30 HG3 MET 30 -7.601 5.413 -4.822
225 1HE MET 30 HE3 MET 30 -7.638 3.843 -6.907
226 2HE MET 30 HE1 MET 30 -6.537 3.974 -8.322
227 3HE MET 30 HE2 MET 30 -5.890 3.465 -6.724
228 H ASN 31 HN ASN 31 -3.887 9.757 -5.000
229 HA ASN 31 HA ASN 31 -3.788 11.722 -4.150
230 1HB ASN 31 HB2 ASN 31 -4.912 10.765 -1.459
231 2HB ASN 31 HB3 ASN 31 -4.612 12.468 -1.955
232 1HD2 ASN 31 HD22 ASN 31 -8.121 10.714 -2.932
233 2HD2 ASN 31 HD21 ASN 31 -7.003 10.091 -1.764
234 H GLY 32 HN GLY 32 -3.070 10.198 -1.042
235 1HA GLY 32 HA1 GLY 32 -0.367 9.688 -1.540
236 2HA GLY 32 HA2 GLY 32 -0.591 11.217 -0.581
237 H LYS 33 HN LYS 33 -2.437 8.074 -0.716
238 HA LYS 33 HA LYS 33 -1.417 7.248 1.848
239 1HB LYS 33 HB2 LYS 33 -4.364 8.020 1.565
240 2HB LYS 33 HB3 LYS 33 -3.848 6.730 2.702
241 1HG LYS 33 HG2 LYS 33 -3.424 8.204 4.273
242 2HG LYS 33 HG3 LYS 33 -2.037 8.771 3.296
243 1HD LYS 33 HD2 LYS 33 -3.336 10.719 3.892
244 2HD LYS 33 HD3 LYS 33 -3.606 10.430 2.143
245 1HE LYS 33 HE2 LYS 33 -5.729 11.065 3.269
246 2HE LYS 33 HE3 LYS 33 -5.848 9.359 2.685
247 1HZ LYS 33 HZ3 LYS 33 -5.220 10.234 5.458
248 2HZ LYS 33 HZ1 LYS 33 -6.700 9.616 4.897
249 3HZ LYS 33 HZ2 LYS 33 -5.319 8.627 4.917
250 H CYS 34 HN CYS 34 -1.820 5.079 2.241
251 HA CYS 34 HA CYS 34 -1.797 3.559 -0.245
252 1HB CYS 34 HB2 CYS 34 0.280 3.826 1.031
253 2HB CYS 34 HB3 CYS 34 -0.517 3.301 2.533
254 H LYS 35 HN LYS 35 -2.637 1.423 -0.331
255 HA LYS 35 HA LYS 35 -4.542 0.533 1.707
256 1HB LYS 35 HB2 LYS 35 -4.955 0.908 -1.328
257 2HB LYS 35 HB3 LYS 35 -5.948 -0.241 -0.366
258 1HG LYS 35 HG2 LYS 35 -6.701 1.569 1.096
259 2HG LYS 35 HG3 LYS 35 -5.781 2.785 0.161
260 1HD LYS 35 HD2 LYS 35 -7.987 0.967 -0.993
261 2HD LYS 35 HD3 LYS 35 -8.270 2.641 -0.384
262 1HE LYS 35 HE2 LYS 35 -6.571 1.783 -2.814
263 2HE LYS 35 HE3 LYS 35 -8.113 2.716 -2.831
264 1HZ LYS 35 HZ2 LYS 35 -5.535 3.617 -1.653
265 2HZ LYS 35 HZ3 LYS 35 -6.206 4.124 -3.127
266 3HZ LYS 35 HZ1 LYS 35 -6.989 4.495 -1.666
267 H CYS 36 HN CYS 36 -4.332 -1.663 2.028
268 HA CYS 36 HA CYS 36 -2.553 -3.181 0.202
269 1HB CYS 36 HB2 CYS 36 -2.879 -3.649 3.222
270 2HB CYS 36 HB3 CYS 36 -1.774 -4.519 2.007
271 H TYR 37 HN TYR 37 -3.589 -4.780 -0.842
272 HA TYR 37 HA TYR 37 -5.949 -6.039 0.349
273 1HB TYR 37 HB2 TYR 37 -5.271 -5.138 -2.540
274 2HB TYR 37 HB3 TYR 37 -6.614 -6.240 -2.142
275 HD1 TYR 37 HD1 TYR 37 -8.199 -5.374 -0.169
276 HD2 TYR 37 HD2 TYR 37 -5.765 -2.758 -2.592
277 HE1 TYR 37 HE1 TYR 37 -9.669 -3.469 0.375
278 HE2 TYR 37 HE2 TYR 37 -7.293 -0.920 -2.159
279 HH TYR 37 HH TYR 37 -9.158 -0.227 -1.034
280 H ASN 38 HN ASN 38 -5.956 -8.009 -1.781
281 HA ASN 38 HA ASN 38 -3.400 -9.441 -1.439
282 1HB ASN 38 HB2 ASN 38 -6.251 -10.514 -0.940
283 2HB ASN 38 HB3 ASN 38 -4.858 -11.601 -1.305
284 1HD2 ASN 38 HD22 ASN 38 -3.214 -11.256 1.818
285 2HD2 ASN 38 HD21 ASN 38 -3.047 -11.696 0.150
286 H ASN 39 HN ASN 39 -2.755 -8.932 -3.539
287 HA ASN 39 HA ASN 39 -4.175 -10.400 -5.641
288 1HB ASN 39 HB2 ASN 39 -3.144 -7.503 -5.928
289 2HB ASN 39 HB3 ASN 39 -3.557 -8.591 -7.303
290 1HD2 ASN 39 HD22 ASN 39 -6.504 -6.426 -5.559
291 2HD2 ASN 39 HD21 ASN 39 -4.813 -6.140 -5.318
292 1H NH2 40 HT1 ASN 39 -2.599 -12.024 -5.410
293 2H NH2 40 HT2 ASN 39 -0.919 -11.757 -5.736
No H/Q in entry = 293
Start of MODEL 30
1 1H THR 1 HN3 THR 1 -9.141 -2.941 2.836
2 2H THR 1 HN2 THR 1 -7.746 -3.859 2.527
3 3H THR 1 HN THR 1 -8.896 -4.413 3.649
4 HA THR 1 HA THR 1 -8.466 -2.550 5.060
5 HB THR 1 HB THR 1 -5.907 -4.095 4.304
6 HG1 THR 1 HG1 THR 1 -6.582 -5.429 5.969
7 1HG2 THR 1 HG21 THR 1 -6.685 -2.613 6.915
8 2HG2 THR 1 HG22 THR 1 -5.274 -3.720 6.728
9 3HG2 THR 1 HG23 THR 1 -5.323 -2.182 5.814
10 H ILE 2 HN ILE 2 -7.729 -0.447 5.318
11 HA ILE 2 HA ILE 2 -6.141 0.784 3.175
12 HB ILE 2 HB ILE 2 -8.435 1.962 4.838
13 1HG1 ILE 2 HG12 ILE 2 -8.307 1.065 1.889
14 2HG1 ILE 2 HG13 ILE 2 -9.327 0.394 3.187
15 1HG2 ILE 2 HG23 ILE 2 -6.616 3.176 2.647
16 2HG2 ILE 2 HG21 ILE 2 -8.069 3.980 3.352
17 3HG2 ILE 2 HG22 ILE 2 -6.657 3.639 4.385
18 1HD1 ILE 2 HD13 ILE 2 -10.530 2.613 3.384
19 2HD1 ILE 2 HD11 ILE 2 -9.591 3.208 1.961
20 3HD1 ILE 2 HD12 ILE 2 -10.710 1.813 1.779
21 H ILE 3 HN ILE 3 -4.150 1.235 3.985
22 HA ILE 3 HA ILE 3 -3.757 1.509 6.886
23 HB ILE 3 HB ILE 3 -1.493 1.028 6.629
24 1HG1 ILE 3 HG12 ILE 3 -1.994 0.348 3.668
25 2HG1 ILE 3 HG13 ILE 3 -1.240 1.895 4.185
26 1HG2 ILE 3 HG22 ILE 3 -3.279 -0.702 7.037
27 2HG2 ILE 3 HG23 ILE 3 -3.308 -1.063 5.268
28 3HG2 ILE 3 HG21 ILE 3 -1.818 -1.366 6.229
29 1HD1 ILE 3 HD13 ILE 3 0.513 0.686 5.444
30 2HD1 ILE 3 HD11 ILE 3 -0.156 -0.898 4.909
31 3HD1 ILE 3 HD12 ILE 3 0.526 0.226 3.689
32 H ASN 4 HN ASN 4 -1.613 2.976 7.240
33 HA ASN 4 HA ASN 4 -2.291 5.650 6.167
34 1HB ASN 4 HB2 ASN 4 -1.329 4.860 8.995
35 2HB ASN 4 HB3 ASN 4 -1.646 6.542 8.417
36 1HD2 ASN 4 HD22 ASN 4 -5.247 6.206 8.456
37 2HD2 ASN 4 HD21 ASN 4 -3.940 6.988 7.631
38 H VAL 5 HN VAL 5 -0.655 4.973 4.445
39 HA VAL 5 HA VAL 5 1.999 5.872 5.299
40 HB VAL 5 HB VAL 5 1.371 3.444 3.546
41 1HG1 VAL 5 HG11 VAL 5 3.981 5.108 3.571
42 2HG1 VAL 5 HG12 VAL 5 3.858 3.422 2.954
43 3HG1 VAL 5 HG13 VAL 5 2.941 4.704 2.140
44 1HG2 VAL 5 HG23 VAL 5 3.214 3.942 5.973
45 2HG2 VAL 5 HG21 VAL 5 1.693 2.970 5.944
46 3HG2 VAL 5 HG22 VAL 5 3.139 2.407 5.040
47 H LYS 6 HN LYS 6 2.599 7.598 4.305
48 HA LYS 6 HA LYS 6 0.957 8.766 2.281
49 1HB LYS 6 HB2 LYS 6 3.570 9.773 3.578
50 2HB LYS 6 HB3 LYS 6 2.449 10.754 2.564
51 1HG LYS 6 HG2 LYS 6 1.783 9.496 5.302
52 2HG LYS 6 HG3 LYS 6 2.280 11.192 5.001
53 1HD LYS 6 HD2 LYS 6 0.263 11.542 3.562
54 2HD LYS 6 HD3 LYS 6 -0.277 9.861 3.920
55 1HE LYS 6 HE2 LYS 6 -0.445 10.403 6.358
56 2HE LYS 6 HE3 LYS 6 0.155 12.082 6.036
57 1HZ LYS 6 HZ1 LYS 6 -1.768 12.447 4.652
58 2HZ LYS 6 HZ2 LYS 6 -2.333 10.874 4.952
59 3HZ LYS 6 HZ3 LYS 6 -2.220 11.993 6.224
60 H CYS 7 HN CYS 7 1.613 9.150 0.058
61 HA CYS 7 HA CYS 7 4.088 7.831 -0.863
62 1HB CYS 7 HB2 CYS 7 2.999 6.235 -2.176
63 2HB CYS 7 HB3 CYS 7 2.136 6.197 -0.583
64 H THR 8 HN THR 8 4.004 7.899 -3.364
65 HA THR 8 HA THR 8 2.556 10.067 -4.548
66 HB THR 8 HB THR 8 4.621 11.196 -3.727
67 HG1 THR 8 HG1 THR 8 4.486 10.923 -6.527
68 1HG2 THR 8 HG23 THR 8 6.189 9.221 -3.826
69 2HG2 THR 8 HG21 THR 8 6.181 9.311 -5.628
70 3HG2 THR 8 HG22 THR 8 6.834 10.677 -4.661
71 H SER 9 HN SER 9 2.769 7.000 -4.415
72 HA SER 9 HA SER 9 2.569 6.358 -7.094
73 1HB SER 9 HB2 SER 9 4.637 4.870 -7.374
74 2HB SER 9 HB3 SER 9 5.035 6.614 -7.239
75 HG SER 9 HG SER 9 5.508 6.311 -5.076
76 HA PRO 10 HA PRO 10 1.079 2.624 -4.900
77 1HB PRO 10 HB2 PRO 10 1.524 1.302 -7.625
78 2HB PRO 10 HB3 PRO 10 0.119 1.188 -6.492
79 1HG PRO 10 HG2 PRO 10 0.015 2.790 -8.711
80 2HG PRO 10 HG3 PRO 10 -0.617 3.418 -7.129
81 1HD PRO 10 HD2 PRO 10 2.159 3.903 -8.377
82 2HD PRO 10 HD3 PRO 10 0.967 5.114 -7.708
83 H LYS 11 HN LYS 11 4.209 2.689 -6.634
84 HA LYS 11 HA LYS 11 5.267 0.319 -5.469
85 1HB LYS 11 HB2 LYS 11 6.707 2.669 -6.808
86 2HB LYS 11 HB3 LYS 11 7.411 1.044 -6.472
87 1HG LYS 11 HG2 LYS 11 5.076 1.660 -8.386
88 2HG LYS 11 HG3 LYS 11 6.783 1.340 -8.829
89 1HD LYS 11 HD2 LYS 11 6.601 -0.978 -7.870
90 2HD LYS 11 HD3 LYS 11 4.888 -0.659 -7.433
91 1HE LYS 11 HE2 LYS 11 4.975 -1.968 -9.521
92 2HE LYS 11 HE3 LYS 11 4.321 -0.315 -9.867
93 1HZ LYS 11 HZ2 LYS 11 7.115 -1.234 -10.313
94 2HZ LYS 11 HZ3 LYS 11 5.916 -1.019 -11.498
95 3HZ LYS 11 HZ1 LYS 11 6.510 0.320 -10.637
96 H GLN 12 HN GLN 12 4.769 3.487 -4.084
97 HA GLN 12 HA GLN 12 6.764 3.200 -2.019
98 1HB GLN 12 HB2 GLN 12 6.500 5.387 -3.064
99 2HB GLN 12 HB3 GLN 12 4.773 5.332 -2.872
100 1HG GLN 12 HG2 GLN 12 5.886 6.927 -1.354
101 2HG GLN 12 HG3 GLN 12 5.079 5.658 -0.370
102 1HE2 GLN 12 HE22 GLN 12 8.182 5.961 1.413
103 2HE2 GLN 12 HE21 GLN 12 6.562 6.569 1.270
104 H CYS 13 HN CYS 13 3.743 1.949 -2.768
105 HA CYS 13 HA CYS 13 2.798 1.759 0.005
106 1HB CYS 13 HB2 CYS 13 1.270 2.945 -1.596
107 2HB CYS 13 HB3 CYS 13 1.339 1.582 -2.725
108 H SER 14 HN SER 14 4.291 0.057 -2.700
109 HA SER 14 HA SER 14 3.514 -2.613 -1.868
110 1HB SER 14 HB2 SER 14 5.587 -1.573 -3.913
111 2HB SER 14 HB3 SER 14 5.154 -3.309 -3.663
112 HG SER 14 HG SER 14 3.406 -1.231 -4.438
113 H LYS 15 HN LYS 15 5.535 -0.237 -0.584
114 HA LYS 15 HA LYS 15 7.671 -1.850 0.379
115 1HB LYS 15 HB2 LYS 15 6.742 1.042 0.492
116 2HB LYS 15 HB3 LYS 15 7.983 0.474 1.638
117 1HG LYS 15 HG2 LYS 15 8.138 0.323 -1.445
118 2HG LYS 15 HG3 LYS 15 8.849 1.625 -0.433
119 1HD LYS 15 HD2 LYS 15 10.325 -0.047 0.701
120 2HD LYS 15 HD3 LYS 15 9.658 -1.348 -0.350
121 1HE LYS 15 HE2 LYS 15 10.515 -0.153 -2.392
122 2HE LYS 15 HE3 LYS 15 11.197 1.152 -1.336
123 1HZ LYS 15 HZ3 LYS 15 11.935 -1.727 -1.267
124 2HZ LYS 15 HZ1 LYS 15 12.841 -0.465 -1.954
125 3HZ LYS 15 HZ2 LYS 15 12.574 -0.505 -0.277
126 HA PRO 16 HA PRO 16 5.151 -1.632 4.470
127 1HB PRO 16 HB2 PRO 16 2.590 -0.554 4.510
128 2HB PRO 16 HB3 PRO 16 4.110 0.371 4.842
129 1HG PRO 16 HG2 PRO 16 2.585 -0.053 2.263
130 2HG PRO 16 HG3 PRO 16 3.009 1.550 2.972
131 1HD PRO 16 HD2 PRO 16 4.616 0.513 1.059
132 2HD PRO 16 HD3 PRO 16 5.392 1.167 2.541
133 H CYS 17 HN CYS 17 2.826 -2.067 1.657
134 HA CYS 17 HA CYS 17 1.352 -4.062 2.813
135 1HB CYS 17 HB2 CYS 17 1.630 -3.461 -0.180
136 2HB CYS 17 HB3 CYS 17 0.331 -4.441 0.589
137 H LYS 18 HN LYS 18 4.381 -4.357 0.802
138 HA LYS 18 HA LYS 18 4.104 -7.251 0.687
139 1HB LYS 18 HB2 LYS 18 6.313 -5.518 -0.442
140 2HB LYS 18 HB3 LYS 18 6.135 -7.302 -0.627
141 1HG LYS 18 HG2 LYS 18 3.845 -6.921 -1.622
142 2HG LYS 18 HG3 LYS 18 4.165 -5.158 -1.597
143 1HD LYS 18 HD2 LYS 18 6.088 -5.469 -3.146
144 2HD LYS 18 HD3 LYS 18 5.890 -7.258 -3.068
145 1HE LYS 18 HE2 LYS 18 3.620 -7.078 -4.127
146 2HE LYS 18 HE3 LYS 18 3.797 -5.277 -4.210
147 1HZ LYS 18 HZ3 LYS 18 5.551 -7.277 -5.539
148 2HZ LYS 18 HZ1 LYS 18 4.344 -6.337 -6.278
149 3HZ LYS 18 HZ2 LYS 18 5.718 -5.589 -5.616
150 H GLU 19 HN GLU 19 5.365 -4.938 2.875
151 HA GLU 19 HA GLU 19 7.012 -6.857 4.308
152 1HB GLU 19 HB2 GLU 19 7.506 -4.419 4.185
153 2HB GLU 19 HB3 GLU 19 6.054 -4.081 5.172
154 1HG GLU 19 HG2 GLU 19 7.074 -5.403 7.080
155 2HG GLU 19 HG3 GLU 19 8.498 -5.776 6.036
156 H LEU 20 HN LEU 20 3.633 -5.958 4.160
157 HA LEU 20 HA LEU 20 2.907 -7.058 6.766
158 1HB LEU 20 HB2 LEU 20 1.421 -5.529 4.565
159 2HB LEU 20 HB3 LEU 20 0.529 -6.283 5.966
160 HG LEU 20 HG LEU 20 2.579 -4.043 6.101
161 1HD1 LEU 20 HD12 LEU 20 0.410 -3.372 5.141
162 2HD1 LEU 20 HD13 LEU 20 -0.455 -4.049 6.572
163 3HD1 LEU 20 HD11 LEU 20 0.656 -2.642 6.770
164 1HD2 LEU 20 HD21 LEU 20 0.990 -5.384 8.383
165 2HD2 LEU 20 HD22 LEU 20 2.783 -5.413 8.169
166 3HD2 LEU 20 HD23 LEU 20 1.947 -3.863 8.528
167 H TYR 21 HN TYR 21 1.610 -7.359 3.418
168 HA TYR 21 HA TYR 21 0.285 -9.836 4.049
169 1HB TYR 21 HB2 TYR 21 0.097 -7.873 1.686
170 2HB TYR 21 HB3 TYR 21 -0.845 -9.405 1.770
171 HD1 TYR 21 HD1 TYR 21 -0.335 -6.072 3.451
172 HD2 TYR 21 HD2 TYR 21 -2.667 -9.677 3.235
173 HE1 TYR 21 HE1 TYR 21 -2.018 -5.075 4.942
174 HE2 TYR 21 HE2 TYR 21 -4.377 -8.666 4.698
175 HH TYR 21 HH TYR 21 -3.977 -5.342 6.009
176 H GLY 22 HN GLY 22 3.059 -8.729 2.154
177 1HA GLY 22 HA1 GLY 22 4.743 -10.174 1.581
178 2HA GLY 22 HA2 GLY 22 3.563 -11.489 1.221
179 H SER 23 HN SER 23 4.917 -11.462 -0.831
180 HA SER 23 HA SER 23 4.855 -9.342 -2.650
181 1HB SER 23 HB2 SER 23 5.517 -12.302 -3.100
182 2HB SER 23 HB3 SER 23 5.937 -10.948 -4.228
183 HG SER 23 HG SER 23 7.118 -10.033 -2.525
184 H SER 24 HN SER 24 2.304 -11.422 -1.907
185 HA SER 24 HA SER 24 0.901 -10.873 -4.438
186 1HB SER 24 HB2 SER 24 1.073 -13.314 -3.746
187 2HB SER 24 HB3 SER 24 0.168 -12.926 -2.248
188 HG SER 24 HG SER 24 -1.514 -12.176 -3.653
189 H ALA 25 HN ALA 25 1.217 -8.615 -3.311
190 HA ALA 25 HA ALA 25 -1.045 -8.025 -1.513
191 1HB ALA 25 HB2 ALA 25 1.551 -6.383 -1.979
192 2HB ALA 25 HB3 ALA 25 0.156 -5.897 -0.962
193 3HB ALA 25 HB1 ALA 25 1.122 -7.326 -0.503
194 H GLY 26 HN GLY 26 -2.539 -6.509 -2.223
195 1HA GLY 26 HA1 GLY 26 -2.301 -5.452 -4.961
196 2HA GLY 26 HA2 GLY 26 -3.764 -5.661 -3.927
197 H ALA 27 HN ALA 27 -0.739 -3.843 -4.376
198 HA ALA 27 HA ALA 27 -1.384 -1.982 -2.239
199 1HB ALA 27 HB3 ALA 27 1.105 -2.360 -4.019
200 2HB ALA 27 HB1 ALA 27 0.954 -1.142 -2.694
201 3HB ALA 27 HB2 ALA 27 0.907 -2.897 -2.320
202 H LYS 28 HN LYS 28 -2.644 -0.271 -2.739
203 HA LYS 28 HA LYS 28 -2.612 0.891 -5.452
204 1HB LYS 28 HB2 LYS 28 -4.966 0.661 -3.464
205 2HB LYS 28 HB3 LYS 28 -5.053 1.249 -5.177
206 1HG LYS 28 HG2 LYS 28 -4.262 -1.122 -5.830
207 2HG LYS 28 HG3 LYS 28 -4.534 -1.560 -4.095
208 1HD LYS 28 HD2 LYS 28 -6.933 -0.868 -4.307
209 2HD LYS 28 HD3 LYS 28 -6.668 -0.465 -6.040
210 1HE LYS 28 HE2 LYS 28 -6.115 -2.855 -6.545
211 2HE LYS 28 HE3 LYS 28 -6.295 -3.282 -4.796
212 1HZ LYS 28 HZ2 LYS 28 -8.427 -2.198 -6.560
213 2HZ LYS 28 HZ3 LYS 28 -8.248 -3.811 -6.057
214 3HZ LYS 28 HZ1 LYS 28 -8.592 -2.599 -4.918
215 H CYS 29 HN CYS 29 -2.623 3.181 -5.409
216 HA CYS 29 HA CYS 29 -2.565 4.427 -2.747
217 1HB CYS 29 HB2 CYS 29 -0.149 3.730 -3.858
218 2HB CYS 29 HB3 CYS 29 -0.304 5.382 -4.484
219 H MET 30 HN MET 30 -4.136 5.770 -2.818
220 HA MET 30 HA MET 30 -4.804 7.249 -5.261
221 1HB MET 30 HB2 MET 30 -6.474 6.487 -2.794
222 2HB MET 30 HB3 MET 30 -7.075 7.496 -4.150
223 1HG MET 30 HG2 MET 30 -6.180 4.563 -4.247
224 2HG MET 30 HG3 MET 30 -7.851 5.183 -4.325
225 1HE MET 30 HE2 MET 30 -8.917 6.446 -6.274
226 2HE MET 30 HE3 MET 30 -7.639 7.711 -6.335
227 3HE MET 30 HE1 MET 30 -8.126 6.855 -7.835
228 H ASN 31 HN ASN 31 -4.176 9.516 -5.116
229 HA ASN 31 HA ASN 31 -3.951 11.525 -4.401
230 1HB ASN 31 HB2 ASN 31 -4.958 10.775 -1.602
231 2HB ASN 31 HB3 ASN 31 -4.648 12.436 -2.219
232 1HD2 ASN 31 HD22 ASN 31 -7.467 12.417 -4.535
233 2HD2 ASN 31 HD21 ASN 31 -5.814 12.923 -4.430
234 H GLY 32 HN GLY 32 -3.099 10.194 -1.238
235 1HA GLY 32 HA1 GLY 32 -0.410 9.646 -1.850
236 2HA GLY 32 HA2 GLY 32 -0.610 11.202 -0.930
237 H LYS 33 HN LYS 33 -2.473 8.074 -0.878
238 HA LYS 33 HA LYS 33 -1.403 7.345 1.709
239 1HB LYS 33 HB2 LYS 33 -4.371 8.062 1.414
240 2HB LYS 33 HB3 LYS 33 -3.753 6.908 2.648
241 1HG LYS 33 HG2 LYS 33 -2.134 8.735 3.441
242 2HG LYS 33 HG3 LYS 33 -3.038 9.862 2.383
243 1HD LYS 33 HD2 LYS 33 -3.969 10.229 4.478
244 2HD LYS 33 HD3 LYS 33 -5.198 9.235 3.640
245 1HE LYS 33 HE2 LYS 33 -3.096 8.095 5.631
246 2HE LYS 33 HE3 LYS 33 -4.727 8.696 6.130
247 1HZ LYS 33 HZ2 LYS 33 -5.735 7.059 4.718
248 2HZ LYS 33 HZ3 LYS 33 -4.215 6.482 4.223
249 3HZ LYS 33 HZ1 LYS 33 -4.692 6.335 5.846
250 H CYS 34 HN CYS 34 -1.807 5.164 2.163
251 HA CYS 34 HA CYS 34 -1.804 3.599 -0.293
252 1HB CYS 34 HB2 CYS 34 0.277 3.890 0.982
253 2HB CYS 34 HB3 CYS 34 -0.522 3.369 2.483
254 H LYS 35 HN LYS 35 -2.694 1.499 -0.407
255 HA LYS 35 HA LYS 35 -4.551 0.607 1.673
256 1HB LYS 35 HB2 LYS 35 -4.948 0.817 -1.387
257 2HB LYS 35 HB3 LYS 35 -5.965 -0.213 -0.320
258 1HG LYS 35 HG2 LYS 35 -6.551 1.800 1.013
259 2HG LYS 35 HG3 LYS 35 -5.715 2.855 -0.176
260 1HD LYS 35 HD2 LYS 35 -7.983 0.905 -0.894
261 2HD LYS 35 HD3 LYS 35 -8.265 2.625 -0.424
262 1HE LYS 35 HE2 LYS 35 -6.845 3.365 -2.390
263 2HE LYS 35 HE3 LYS 35 -6.676 1.630 -2.883
264 1HZ LYS 35 HZ1 LYS 35 -9.225 3.128 -2.631
265 2HZ LYS 35 HZ2 LYS 35 -8.418 2.735 -4.073
266 3HZ LYS 35 HZ3 LYS 35 -9.055 1.503 -3.093
267 H CYS 36 HN CYS 36 -4.393 -1.591 2.005
268 HA CYS 36 HA CYS 36 -2.590 -3.159 0.240
269 1HB CYS 36 HB2 CYS 36 -2.941 -3.606 3.257
270 2HB CYS 36 HB3 CYS 36 -1.854 -4.506 2.046
271 H TYR 37 HN TYR 37 -3.605 -4.778 -0.776
272 HA TYR 37 HA TYR 37 -5.955 -6.051 0.417
273 1HB TYR 37 HB2 TYR 37 -5.288 -5.179 -2.483
274 2HB TYR 37 HB3 TYR 37 -6.617 -6.293 -2.066
275 HD1 TYR 37 HD2 TYR 37 -8.269 -5.426 -0.187
276 HD2 TYR 37 HD1 TYR 37 -5.732 -2.800 -2.481
277 HE1 TYR 37 HE2 TYR 37 -9.742 -3.517 0.336
278 HE2 TYR 37 HE1 TYR 37 -7.252 -0.947 -2.066
279 HH TYR 37 HH TYR 37 -10.201 -1.379 0.000
280 H ASN 38 HN ASN 38 -5.967 -8.111 -1.552
281 HA ASN 38 HA ASN 38 -3.335 -9.430 -1.313
282 1HB ASN 38 HB2 ASN 38 -6.094 -10.601 -0.563
283 2HB ASN 38 HB3 ASN 38 -4.647 -11.622 -0.921
284 1HD2 ASN 38 HD21 ASN 38 -4.996 -9.845 2.743
285 2HD2 ASN 38 HD22 ASN 38 -6.228 -9.701 1.533
286 H ASN 39 HN ASN 39 -3.450 -8.302 -3.564
287 HA ASN 39 HA ASN 39 -5.058 -9.783 -5.518
288 1HB ASN 39 HB2 ASN 39 -3.114 -7.451 -5.911
289 2HB ASN 39 HB3 ASN 39 -4.029 -8.288 -7.219
290 1HD2 ASN 39 HD22 ASN 39 -5.952 -5.224 -6.420
291 2HD2 ASN 39 HD21 ASN 39 -4.407 -5.638 -7.085
292 1H NH2 40 HT1 ASN 39 -1.000 -10.350 -6.196
293 2H NH2 40 HT2 ASN 39 -1.611 -8.757 -5.923
No H/Q in entry = 293
Start of MODEL 31
1 1H THR 1 HN3 THR 1 -8.458 -3.689 2.742
2 2H THR 1 HN2 THR 1 -6.886 -4.275 3.010
3 3H THR 1 HN THR 1 -8.176 -4.831 3.968
4 HA THR 1 HA THR 1 -8.504 -2.678 4.855
5 HB THR 1 HB THR 1 -6.998 -4.360 5.943
6 HG1 THR 1 HG1 THR 1 -6.257 -1.673 6.351
7 1HG2 THR 1 HG23 THR 1 -5.148 -4.379 4.237
8 2HG2 THR 1 HG21 THR 1 -4.665 -2.715 4.731
9 3HG2 THR 1 HG22 THR 1 -4.544 -4.069 5.901
10 H ILE 2 HN ILE 2 -7.589 -0.460 5.257
11 HA ILE 2 HA ILE 2 -6.010 0.668 3.060
12 HB ILE 2 HB ILE 2 -8.493 1.838 4.430
13 1HG1 ILE 2 HG12 ILE 2 -8.835 2.193 1.729
14 2HG1 ILE 2 HG13 ILE 2 -7.920 0.659 1.683
15 1HG2 ILE 2 HG21 ILE 2 -6.370 3.157 2.615
16 2HG2 ILE 2 HG22 ILE 2 -7.994 3.860 2.968
17 3HG2 ILE 2 HG23 ILE 2 -6.819 3.623 4.300
18 1HD1 ILE 2 HD13 ILE 2 -10.561 1.196 3.211
19 2HD1 ILE 2 HD11 ILE 2 -10.364 0.272 1.673
20 3HD1 ILE 2 HD12 ILE 2 -9.679 -0.377 3.208
21 H ILE 3 HN ILE 3 -4.091 1.203 3.926
22 HA ILE 3 HA ILE 3 -3.801 1.513 6.825
23 HB ILE 3 HB ILE 3 -1.510 1.054 6.598
24 1HG1 ILE 3 HG12 ILE 3 -2.006 0.357 3.638
25 2HG1 ILE 3 HG13 ILE 3 -1.257 1.909 4.147
26 1HG2 ILE 3 HG21 ILE 3 -3.293 -0.686 7.006
27 2HG2 ILE 3 HG22 ILE 3 -3.314 -1.048 5.238
28 3HG2 ILE 3 HG23 ILE 3 -1.829 -1.348 6.201
29 1HD1 ILE 3 HD12 ILE 3 0.501 0.714 5.406
30 2HD1 ILE 3 HD13 ILE 3 -0.167 -0.876 4.890
31 3HD1 ILE 3 HD11 ILE 3 0.507 0.238 3.654
32 H ASN 4 HN ASN 4 -1.669 3.008 7.239
33 HA ASN 4 HA ASN 4 -2.275 5.655 6.059
34 1HB ASN 4 HB2 ASN 4 -1.585 5.003 8.996
35 2HB ASN 4 HB3 ASN 4 -1.874 6.647 8.303
36 1HD2 ASN 4 HD22 ASN 4 -5.473 6.063 7.835
37 2HD2 ASN 4 HD21 ASN 4 -4.115 6.727 6.988
38 H VAL 5 HN VAL 5 -0.539 4.802 4.547
39 HA VAL 5 HA VAL 5 2.062 5.797 5.473
40 HB VAL 5 HB VAL 5 1.465 3.283 3.819
41 1HG1 VAL 5 HG13 VAL 5 4.031 5.005 3.746
42 2HG1 VAL 5 HG11 VAL 5 4.018 3.256 3.348
43 3HG1 VAL 5 HG12 VAL 5 3.050 4.368 2.351
44 1HG2 VAL 5 HG23 VAL 5 3.288 3.893 6.238
45 2HG2 VAL 5 HG21 VAL 5 1.743 2.958 6.256
46 3HG2 VAL 5 HG22 VAL 5 3.179 2.308 5.395
47 H LYS 6 HN LYS 6 2.792 7.413 4.195
48 HA LYS 6 HA LYS 6 0.927 8.478 2.303
49 1HB LYS 6 HB2 LYS 6 3.579 9.527 3.427
50 2HB LYS 6 HB3 LYS 6 2.649 10.405 2.166
51 1HG LYS 6 HG2 LYS 6 2.231 11.415 4.271
52 2HG LYS 6 HG3 LYS 6 0.723 10.687 3.630
53 1HD LYS 6 HD2 LYS 6 0.843 8.861 5.268
54 2HD LYS 6 HD3 LYS 6 2.492 9.370 5.779
55 1HE LYS 6 HE2 LYS 6 0.778 10.076 7.451
56 2HE LYS 6 HE3 LYS 6 1.560 11.520 6.689
57 1HZ LYS 6 HZ2 LYS 6 -0.339 11.702 5.227
58 2HZ LYS 6 HZ3 LYS 6 -1.074 10.351 5.951
59 3HZ LYS 6 HZ1 LYS 6 -0.806 11.762 6.859
60 H CYS 7 HN CYS 7 1.329 8.837 0.051
61 HA CYS 7 HA CYS 7 3.672 7.582 -1.170
62 1HB CYS 7 HB2 CYS 7 2.560 5.890 -2.364
63 2HB CYS 7 HB3 CYS 7 1.961 5.781 -0.641
64 H THR 8 HN THR 8 3.856 7.973 -3.385
65 HA THR 8 HA THR 8 2.019 9.871 -4.643
66 HB THR 8 HB THR 8 4.022 11.089 -3.809
67 HG1 THR 8 HG1 THR 8 3.837 10.880 -6.616
68 1HG2 THR 8 HG23 THR 8 5.703 9.211 -4.009
69 2HG2 THR 8 HG21 THR 8 5.646 9.361 -5.806
70 3HG2 THR 8 HG22 THR 8 6.241 10.729 -4.806
71 H SER 9 HN SER 9 3.180 6.752 -4.543
72 HA SER 9 HA SER 9 2.607 6.244 -7.306
73 1HB SER 9 HB2 SER 9 4.744 5.022 -7.751
74 2HB SER 9 HB3 SER 9 5.047 6.755 -7.354
75 HG SER 9 HG SER 9 6.490 5.397 -6.362
76 HA PRO 10 HA PRO 10 1.255 2.515 -5.062
77 1HB PRO 10 HB2 PRO 10 1.679 1.020 -7.690
78 2HB PRO 10 HB3 PRO 10 0.269 1.028 -6.567
79 1HG PRO 10 HG2 PRO 10 0.241 2.477 -8.901
80 2HG PRO 10 HG3 PRO 10 -0.423 3.205 -7.377
81 1HD PRO 10 HD2 PRO 10 2.380 3.602 -8.594
82 2HD PRO 10 HD3 PRO 10 1.185 4.854 -8.012
83 H LYS 11 HN LYS 11 4.408 2.538 -6.730
84 HA LYS 11 HA LYS 11 5.460 0.282 -5.319
85 1HB LYS 11 HB2 LYS 11 6.873 2.437 -6.960
86 2HB LYS 11 HB3 LYS 11 7.626 0.914 -6.358
87 1HG LYS 11 HG2 LYS 11 5.312 1.116 -8.377
88 2HG LYS 11 HG3 LYS 11 7.036 0.765 -8.732
89 1HD LYS 11 HD2 LYS 11 6.888 -1.326 -7.339
90 2HD LYS 11 HD3 LYS 11 5.140 -1.003 -7.058
91 1HE LYS 11 HE2 LYS 11 4.700 -1.150 -9.531
92 2HE LYS 11 HE3 LYS 11 6.455 -1.493 -9.818
93 1HZ LYS 11 HZ1 LYS 11 4.590 -3.137 -8.188
94 2HZ LYS 11 HZ2 LYS 11 5.142 -3.485 -9.756
95 3HZ LYS 11 HZ3 LYS 11 6.236 -3.459 -8.457
96 H GLN 12 HN GLN 12 4.694 3.385 -4.153
97 HA GLN 12 HA GLN 12 6.753 3.436 -2.113
98 1HB GLN 12 HB2 GLN 12 6.254 5.465 -3.407
99 2HB GLN 12 HB3 GLN 12 4.572 5.371 -3.017
100 1HG GLN 12 HG2 GLN 12 5.788 7.133 -1.740
101 2HG GLN 12 HG3 GLN 12 5.120 5.912 -0.606
102 1HE2 GLN 12 HE22 GLN 12 8.293 5.830 0.939
103 2HE2 GLN 12 HE21 GLN 12 6.593 6.176 1.042
104 H CYS 13 HN CYS 13 3.936 1.797 -2.752
105 HA CYS 13 HA CYS 13 2.874 1.869 -0.016
106 1HB CYS 13 HB2 CYS 13 1.409 3.087 -1.642
107 2HB CYS 13 HB3 CYS 13 1.493 1.732 -2.787
108 H SER 14 HN SER 14 4.335 -0.058 -2.643
109 HA SER 14 HA SER 14 3.361 -2.577 -1.573
110 1HB SER 14 HB2 SER 14 4.664 -3.632 -3.375
111 2HB SER 14 HB3 SER 14 3.509 -2.408 -3.989
112 HG SER 14 HG SER 14 5.235 -0.949 -4.123
113 H LYS 15 HN LYS 15 5.521 -0.298 -0.496
114 HA LYS 15 HA LYS 15 7.626 -1.888 0.509
115 1HB LYS 15 HB2 LYS 15 6.628 0.982 0.657
116 2HB LYS 15 HB3 LYS 15 7.888 0.415 1.787
117 1HG LYS 15 HG2 LYS 15 9.304 -0.208 -0.212
118 2HG LYS 15 HG3 LYS 15 7.969 0.348 -1.291
119 1HD LYS 15 HD2 LYS 15 8.132 2.649 -0.294
120 2HD LYS 15 HD3 LYS 15 9.526 2.114 0.704
121 1HE LYS 15 HE2 LYS 15 9.429 2.152 -2.397
122 2HE LYS 15 HE3 LYS 15 10.261 3.368 -1.346
123 1HZ LYS 15 HZ3 LYS 15 10.889 0.467 -1.499
124 2HZ LYS 15 HZ1 LYS 15 11.770 1.732 -2.210
125 3HZ LYS 15 HZ2 LYS 15 11.670 1.613 -0.518
126 HA PRO 16 HA PRO 16 5.136 -1.685 4.626
127 1HB PRO 16 HB2 PRO 16 2.609 -0.538 4.735
128 2HB PRO 16 HB3 PRO 16 4.155 0.378 4.957
129 1HG PRO 16 HG2 PRO 16 2.528 -0.155 2.457
130 2HG PRO 16 HG3 PRO 16 2.951 1.483 3.087
131 1HD PRO 16 HD2 PRO 16 4.510 0.382 1.172
132 2HD PRO 16 HD3 PRO 16 5.343 1.097 2.583
133 H CYS 17 HN CYS 17 2.889 -2.170 1.780
134 HA CYS 17 HA CYS 17 1.318 -4.103 2.956
135 1HB CYS 17 HB2 CYS 17 1.714 -3.534 -0.030
136 2HB CYS 17 HB3 CYS 17 0.380 -4.503 0.688
137 H LYS 18 HN LYS 18 4.403 -4.443 1.067
138 HA LYS 18 HA LYS 18 4.189 -7.355 1.052
139 1HB LYS 18 HB2 LYS 18 6.328 -5.497 -0.047
140 2HB LYS 18 HB3 LYS 18 6.406 -7.297 -0.097
141 1HG LYS 18 HG2 LYS 18 4.191 -7.355 -1.240
142 2HG LYS 18 HG3 LYS 18 4.199 -5.557 -1.306
143 1HD LYS 18 HD2 LYS 18 6.248 -5.605 -2.723
144 2HD LYS 18 HD3 LYS 18 6.323 -7.402 -2.585
145 1HE LYS 18 HE2 LYS 18 4.130 -7.611 -3.785
146 2HE LYS 18 HE3 LYS 18 4.014 -5.809 -3.907
147 1HZ LYS 18 HZ2 LYS 18 6.150 -7.511 -5.081
148 2HZ LYS 18 HZ3 LYS 18 4.849 -6.800 -5.911
149 3HZ LYS 18 HZ1 LYS 18 6.039 -5.820 -5.197
150 H GLU 19 HN GLU 19 5.235 -4.917 3.202
151 HA GLU 19 HA GLU 19 6.907 -6.706 4.792
152 1HB GLU 19 HB2 GLU 19 7.335 -4.255 4.613
153 2HB GLU 19 HB3 GLU 19 5.831 -3.938 5.528
154 1HG GLU 19 HG2 GLU 19 6.804 -5.163 7.518
155 2HG GLU 19 HG3 GLU 19 8.271 -5.551 6.544
156 H LEU 20 HN LEU 20 3.531 -5.929 4.430
157 HA LEU 20 HA LEU 20 2.655 -7.047 6.975
158 1HB LEU 20 HB2 LEU 20 1.274 -5.668 4.607
159 2HB LEU 20 HB3 LEU 20 0.309 -6.465 5.923
160 HG LEU 20 HG LEU 20 2.116 -4.047 6.173
161 1HD1 LEU 20 HD12 LEU 20 -0.079 -3.653 5.119
162 2HD1 LEU 20 HD13 LEU 20 -0.913 -4.394 6.534
163 3HD1 LEU 20 HD11 LEU 20 0.025 -2.865 6.737
164 1HD2 LEU 20 HD23 LEU 20 0.603 -5.544 8.409
165 2HD2 LEU 20 HD21 LEU 20 2.393 -5.345 8.274
166 3HD2 LEU 20 HD22 LEU 20 1.351 -3.911 8.570
167 H TYR 21 HN TYR 21 1.771 -7.524 3.509
168 HA TYR 21 HA TYR 21 0.578 -10.088 4.089
169 1HB TYR 21 HB2 TYR 21 0.360 -8.144 1.713
170 2HB TYR 21 HB3 TYR 21 -0.486 -9.732 1.782
171 HD1 TYR 21 HD1 TYR 21 -2.187 -10.200 3.376
172 HD2 TYR 21 HD2 TYR 21 -0.402 -6.284 3.268
173 HE1 TYR 21 HE1 TYR 21 -4.049 -9.318 4.729
174 HE2 TYR 21 HE2 TYR 21 -2.260 -5.404 4.620
175 HH TYR 21 HH TYR 21 -4.933 -7.540 5.748
176 H GLY 22 HN GLY 22 3.595 -8.977 2.862
177 1HA GLY 22 HA1 GLY 22 5.308 -10.370 2.735
178 2HA GLY 22 HA2 GLY 22 4.262 -11.753 2.293
179 H SER 23 HN SER 23 3.319 -11.692 0.089
180 HA SER 23 HA SER 23 4.805 -10.318 -1.986
181 1HB SER 23 HB2 SER 23 4.805 -13.406 -1.724
182 2HB SER 23 HB3 SER 23 5.322 -12.497 -3.200
183 HG SER 23 HG SER 23 7.030 -13.114 -1.895
184 H SER 24 HN SER 24 2.064 -11.567 -0.506
185 HA SER 24 HA SER 24 0.450 -11.693 -2.965
186 1HB SER 24 HB2 SER 24 0.438 -13.719 -1.439
187 2HB SER 24 HB3 SER 24 -0.225 -12.701 -0.122
188 HG SER 24 HG SER 24 -1.988 -12.268 -1.559
189 H ALA 25 HN ALA 25 1.099 -9.252 -2.794
190 HA ALA 25 HA ALA 25 -0.856 -7.763 -1.169
191 1HB ALA 25 HB2 ALA 25 2.040 -6.972 -1.904
192 2HB ALA 25 HB3 ALA 25 0.856 -5.911 -1.063
193 3HB ALA 25 HB1 ALA 25 1.449 -7.410 -0.267
194 H GLY 26 HN GLY 26 -2.033 -6.311 -2.304
195 1HA GLY 26 HA1 GLY 26 -1.835 -6.101 -5.179
196 2HA GLY 26 HA2 GLY 26 -3.016 -5.366 -4.042
197 H ALA 27 HN ALA 27 -2.401 -3.495 -2.835
198 HA ALA 27 HA ALA 27 -1.144 -1.761 -2.099
199 1HB ALA 27 HB1 ALA 27 0.974 -2.926 -2.322
200 2HB ALA 27 HB2 ALA 27 1.107 -2.421 -4.044
201 3HB ALA 27 HB3 ALA 27 1.097 -1.185 -2.740
202 H LYS 28 HN LYS 28 -2.551 -0.096 -2.652
203 HA LYS 28 HA LYS 28 -2.449 0.964 -5.405
204 1HB LYS 28 HB2 LYS 28 -4.873 0.826 -3.502
205 2HB LYS 28 HB3 LYS 28 -4.889 1.415 -5.219
206 1HG LYS 28 HG2 LYS 28 -4.341 -1.423 -4.220
207 2HG LYS 28 HG3 LYS 28 -5.915 -0.804 -4.831
208 1HD LYS 28 HD2 LYS 28 -5.004 -0.513 -7.095
209 2HD LYS 28 HD3 LYS 28 -3.344 -0.900 -6.533
210 1HE LYS 28 HE2 LYS 28 -4.337 -2.856 -7.704
211 2HE LYS 28 HE3 LYS 28 -4.026 -3.234 -5.960
212 1HZ LYS 28 HZ2 LYS 28 -6.348 -2.819 -5.514
213 2HZ LYS 28 HZ3 LYS 28 -6.641 -2.468 -7.150
214 3HZ LYS 28 HZ1 LYS 28 -6.153 -4.028 -6.690
215 H CYS 29 HN CYS 29 -2.458 3.115 -5.500
216 HA CYS 29 HA CYS 29 -2.011 4.609 -2.961
217 1HB CYS 29 HB2 CYS 29 0.064 4.278 -4.265
218 2HB CYS 29 HB3 CYS 29 -0.676 5.060 -5.687
219 H MET 30 HN MET 30 -3.467 6.061 -2.521
220 HA MET 30 HA MET 30 -5.036 7.425 -4.616
221 1HB MET 30 HB2 MET 30 -5.593 7.026 -1.615
222 2HB MET 30 HB3 MET 30 -6.548 8.063 -2.748
223 1HG MET 30 HG2 MET 30 -7.132 6.051 -4.091
224 2HG MET 30 HG3 MET 30 -6.131 5.031 -3.014
225 1HE MET 30 HE2 MET 30 -9.374 7.087 -3.549
226 2HE MET 30 HE3 MET 30 -10.199 7.077 -1.953
227 3HE MET 30 HE1 MET 30 -8.709 8.050 -2.182
228 H ASN 31 HN ASN 31 -2.857 8.496 -4.931
229 HA ASN 31 HA ASN 31 -0.953 9.413 -4.002
230 1HB ASN 31 HB2 ASN 31 -2.714 11.521 -5.356
231 2HB ASN 31 HB3 ASN 31 -0.907 11.487 -5.338
232 1HD2 ASN 31 HD22 ASN 31 -0.849 8.373 -7.413
233 2HD2 ASN 31 HD21 ASN 31 -0.237 8.876 -5.871
234 H GLY 32 HN GLY 32 -0.932 9.357 -1.719
235 1HA GLY 32 HA1 GLY 32 -0.544 11.470 -0.207
236 2HA GLY 32 HA2 GLY 32 -2.355 11.367 -0.244
237 H LYS 33 HN LYS 33 -2.441 8.375 -0.481
238 HA LYS 33 HA LYS 33 -1.223 7.384 1.911
239 1HB LYS 33 HB2 LYS 33 -4.235 7.928 1.900
240 2HB LYS 33 HB3 LYS 33 -3.502 6.631 2.909
241 1HG LYS 33 HG2 LYS 33 -1.907 8.338 3.893
242 2HG LYS 33 HG3 LYS 33 -2.947 9.614 3.174
243 1HD LYS 33 HD2 LYS 33 -4.930 8.739 4.397
244 2HD LYS 33 HD3 LYS 33 -3.921 7.434 5.122
245 1HE LYS 33 HE2 LYS 33 -2.519 9.131 6.305
246 2HE LYS 33 HE3 LYS 33 -3.462 10.472 5.534
247 1HZ LYS 33 HZ1 LYS 33 -4.542 8.400 7.371
248 2HZ LYS 33 HZ2 LYS 33 -4.192 10.017 7.758
249 3HZ LYS 33 HZ3 LYS 33 -5.425 9.658 6.647
250 H CYS 34 HN CYS 34 -1.731 5.140 2.232
251 HA CYS 34 HA CYS 34 -1.699 3.740 -0.324
252 1HB CYS 34 HB2 CYS 34 0.384 3.899 0.977
253 2HB CYS 34 HB3 CYS 34 -0.439 3.336 2.452
254 H LYS 35 HN LYS 35 -2.618 1.632 -0.484
255 HA LYS 35 HA LYS 35 -4.490 0.721 1.590
256 1HB LYS 35 HB2 LYS 35 -4.852 0.696 -1.483
257 2HB LYS 35 HB3 LYS 35 -5.894 -0.192 -0.309
258 1HG LYS 35 HG2 LYS 35 -6.354 2.024 0.796
259 2HG LYS 35 HG3 LYS 35 -5.618 2.857 -0.615
260 1HD LYS 35 HD2 LYS 35 -7.953 0.840 -0.779
261 2HD LYS 35 HD3 LYS 35 -8.176 2.620 -0.609
262 1HE LYS 35 HE2 LYS 35 -6.935 2.957 -2.807
263 2HE LYS 35 HE3 LYS 35 -6.863 1.162 -3.000
264 1HZ LYS 35 HZ3 LYS 35 -9.256 1.103 -2.927
265 2HZ LYS 35 HZ1 LYS 35 -9.331 2.791 -2.754
266 3HZ LYS 35 HZ2 LYS 35 -8.699 2.110 -4.176
267 H CYS 36 HN CYS 36 -4.478 -1.554 1.813
268 HA CYS 36 HA CYS 36 -2.488 -3.062 0.192
269 1HB CYS 36 HB2 CYS 36 -3.062 -3.598 3.149
270 2HB CYS 36 HB3 CYS 36 -1.932 -4.508 1.992
271 H TYR 37 HN TYR 37 -3.426 -4.530 -1.030
272 HA TYR 37 HA TYR 37 -5.914 -5.834 -0.179
273 1HB TYR 37 HB2 TYR 37 -4.763 -4.917 -2.894
274 2HB TYR 37 HB3 TYR 37 -6.049 -6.167 -2.789
275 HD1 TYR 37 HD2 TYR 37 -8.231 -5.627 -1.718
276 HD2 TYR 37 HD1 TYR 37 -5.303 -2.553 -2.428
277 HE1 TYR 37 HE2 TYR 37 -9.955 -3.896 -1.386
278 HE2 TYR 37 HE1 TYR 37 -7.023 -0.839 -2.131
279 HH TYR 37 HH TYR 37 -9.178 -0.396 -1.666
280 H ASN 38 HN ASN 38 -5.863 -8.046 -1.649
281 HA ASN 38 HA ASN 38 -3.318 -9.441 -1.032
282 1HB ASN 38 HB2 ASN 38 -6.238 -10.377 -0.648
283 2HB ASN 38 HB3 ASN 38 -4.828 -11.501 -0.676
284 1HD2 ASN 38 HD22 ASN 38 -5.482 -9.083 2.632
285 2HD2 ASN 38 HD21 ASN 38 -6.336 -8.785 1.155
286 H ASN 39 HN ASN 39 -2.486 -9.317 -3.140
287 HA ASN 39 HA ASN 39 -3.964 -10.830 -5.199
288 1HB ASN 39 HB2 ASN 39 -2.409 -8.201 -5.628
289 2HB ASN 39 HB3 ASN 39 -2.969 -9.300 -6.942
290 1HD2 ASN 39 HD22 ASN 39 -6.501 -8.533 -6.522
291 2HD2 ASN 39 HD21 ASN 39 -5.420 -9.839 -6.877
292 1H NH2 40 HT1 ASN 39 -2.722 -12.681 -4.831
293 2H NH2 40 HT2 ASN 39 -1.000 -12.726 -5.017
No H/Q in entry = 293
Start of MODEL 32
1 1H THR 1 HN THR 1 -7.004 -2.567 6.346
2 2H THR 1 HN3 THR 1 -8.628 -2.420 5.868
3 3H THR 1 HN2 THR 1 -7.984 -3.950 6.234
4 HA THR 1 HA THR 1 -6.498 -3.816 4.432
5 HB THR 1 HB THR 1 -8.790 -4.817 4.263
6 HG1 THR 1 HG1 THR 1 -7.752 -3.763 1.868
7 1HG2 THR 1 HG21 THR 1 -10.110 -2.644 4.344
8 2HG2 THR 1 HG22 THR 1 -9.546 -2.267 2.672
9 3HG2 THR 1 HG23 THR 1 -10.559 -3.718 2.973
10 H ILE 2 HN ILE 2 -7.438 -0.753 5.426
11 HA ILE 2 HA ILE 2 -6.085 0.578 3.196
12 HB ILE 2 HB ILE 2 -8.413 1.617 4.917
13 1HG1 ILE 2 HG12 ILE 2 -8.302 0.814 1.941
14 2HG1 ILE 2 HG13 ILE 2 -9.233 0.026 3.246
15 1HG2 ILE 2 HG22 ILE 2 -6.678 2.961 2.732
16 2HG2 ILE 2 HG23 ILE 2 -8.179 3.673 3.435
17 3HG2 ILE 2 HG21 ILE 2 -6.755 3.404 4.472
18 1HD1 ILE 2 HD11 ILE 2 -10.578 2.146 3.559
19 2HD1 ILE 2 HD12 ILE 2 -9.730 2.855 2.129
20 3HD1 ILE 2 HD13 ILE 2 -10.754 1.392 1.931
21 H ILE 3 HN ILE 3 -4.136 1.230 3.965
22 HA ILE 3 HA ILE 3 -3.752 1.639 6.868
23 HB ILE 3 HB ILE 3 -1.461 1.244 6.645
24 1HG1 ILE 3 HG12 ILE 3 -1.984 0.370 3.731
25 2HG1 ILE 3 HG13 ILE 3 -1.188 1.916 4.185
26 1HG2 ILE 3 HG21 ILE 3 -3.185 -0.509 7.211
27 2HG2 ILE 3 HG22 ILE 3 -3.187 -1.033 5.484
28 3HG2 ILE 3 HG23 ILE 3 -1.693 -1.181 6.473
29 1HD1 ILE 3 HD13 ILE 3 0.513 0.652 5.524
30 2HD1 ILE 3 HD11 ILE 3 -0.177 -0.902 4.922
31 3HD1 ILE 3 HD12 ILE 3 0.561 0.245 3.756
32 H ASN 4 HN ASN 4 -1.532 3.243 6.924
33 HA ASN 4 HA ASN 4 -2.185 5.656 5.393
34 1HB ASN 4 HB2 ASN 4 -1.945 7.078 7.454
35 2HB ASN 4 HB3 ASN 4 -3.436 6.107 7.359
36 1HD2 ASN 4 HD22 ASN 4 -2.782 4.055 10.217
37 2HD2 ASN 4 HD21 ASN 4 -3.652 4.161 8.723
38 H VAL 5 HN VAL 5 -0.418 4.824 4.135
39 HA VAL 5 HA VAL 5 2.162 5.783 5.188
40 HB VAL 5 HB VAL 5 1.590 3.405 3.350
41 1HG1 VAL 5 HG12 VAL 5 4.250 4.949 3.689
42 2HG1 VAL 5 HG13 VAL 5 4.100 3.299 2.981
43 3HG1 VAL 5 HG11 VAL 5 3.332 4.667 2.150
44 1HG2 VAL 5 HG22 VAL 5 3.199 3.793 5.958
45 2HG2 VAL 5 HG23 VAL 5 1.637 2.906 5.772
46 3HG2 VAL 5 HG21 VAL 5 3.133 2.269 5.006
47 H LYS 6 HN LYS 6 2.736 7.592 4.229
48 HA LYS 6 HA LYS 6 1.019 8.771 2.317
49 1HB LYS 6 HB2 LYS 6 3.674 9.869 3.447
50 2HB LYS 6 HB3 LYS 6 2.343 10.815 2.684
51 1HG LYS 6 HG2 LYS 6 2.224 9.262 5.350
52 2HG LYS 6 HG3 LYS 6 2.467 11.026 5.152
53 1HD LYS 6 HD2 LYS 6 0.228 11.265 4.112
54 2HD LYS 6 HD3 LYS 6 -0.074 9.502 4.289
55 1HE LYS 6 HE2 LYS 6 0.493 11.426 6.652
56 2HE LYS 6 HE3 LYS 6 -1.152 10.900 6.118
57 1HZ LYS 6 HZ3 LYS 6 1.032 9.114 7.052
58 2HZ LYS 6 HZ1 LYS 6 -0.332 9.596 7.942
59 3HZ LYS 6 HZ2 LYS 6 -0.519 8.629 6.557
60 H CYS 7 HN CYS 7 1.497 9.218 0.060
61 HA CYS 7 HA CYS 7 3.984 8.066 -1.050
62 1HB CYS 7 HB2 CYS 7 2.861 6.409 -2.293
63 2HB CYS 7 HB3 CYS 7 2.228 6.301 -0.605
64 H THR 8 HN THR 8 3.674 8.100 -3.579
65 HA THR 8 HA THR 8 1.847 9.968 -4.645
66 HB THR 8 HB THR 8 3.653 11.549 -3.995
67 HG1 THR 8 HG1 THR 8 3.920 12.472 -5.999
68 1HG2 THR 8 HG21 THR 8 5.615 9.983 -4.135
69 2HG2 THR 8 HG22 THR 8 5.488 9.980 -5.934
70 3HG2 THR 8 HG23 THR 8 5.868 11.502 -5.059
71 H SER 9 HN SER 9 2.424 7.070 -4.522
72 HA SER 9 HA SER 9 2.429 6.327 -7.187
73 1HB SER 9 HB2 SER 9 4.659 5.097 -7.336
74 2HB SER 9 HB3 SER 9 4.861 6.874 -7.189
75 HG SER 9 HG SER 9 5.245 6.635 -5.012
76 HA PRO 10 HA PRO 10 1.138 2.577 -4.907
77 1HB PRO 10 HB2 PRO 10 1.682 1.263 -7.623
78 2HB PRO 10 HB3 PRO 10 0.299 1.035 -6.480
79 1HG PRO 10 HG2 PRO 10 0.039 2.621 -8.691
80 2HG PRO 10 HG3 PRO 10 -0.609 3.212 -7.102
81 1HD PRO 10 HD2 PRO 10 2.101 3.888 -8.405
82 2HD PRO 10 HD3 PRO 10 0.841 5.013 -7.708
83 H LYS 11 HN LYS 11 4.299 2.833 -6.574
84 HA LYS 11 HA LYS 11 5.438 0.583 -5.160
85 1HB LYS 11 HB2 LYS 11 6.739 2.682 -6.957
86 2HB LYS 11 HB3 LYS 11 7.551 1.213 -6.297
87 1HG LYS 11 HG2 LYS 11 5.173 1.244 -8.251
88 2HG LYS 11 HG3 LYS 11 6.895 0.908 -8.635
89 1HD LYS 11 HD2 LYS 11 6.831 -1.095 -7.105
90 2HD LYS 11 HD3 LYS 11 5.083 -0.794 -6.807
91 1HE LYS 11 HE2 LYS 11 4.594 -1.106 -9.255
92 2HE LYS 11 HE3 LYS 11 6.352 -1.430 -9.559
93 1HZ LYS 11 HZ1 LYS 11 4.557 -3.004 -7.784
94 2HZ LYS 11 HZ2 LYS 11 5.084 -3.442 -9.339
95 3HZ LYS 11 HZ3 LYS 11 6.204 -3.308 -8.070
96 H GLN 12 HN GLN 12 4.448 3.467 -3.904
97 HA GLN 12 HA GLN 12 6.552 3.486 -1.876
98 1HB GLN 12 HB2 GLN 12 6.367 5.574 -3.155
99 2HB GLN 12 HB3 GLN 12 4.696 5.739 -2.743
100 1HG GLN 12 HG2 GLN 12 5.384 6.060 -0.294
101 2HG GLN 12 HG3 GLN 12 7.070 5.571 -0.716
102 1HE2 GLN 12 HE22 GLN 12 7.177 9.254 -0.499
103 2HE2 GLN 12 HE21 GLN 12 7.005 7.884 0.547
104 H CYS 13 HN CYS 13 4.366 1.629 -2.485
105 HA CYS 13 HA CYS 13 2.948 1.659 0.065
106 1HB CYS 13 HB2 CYS 13 1.452 2.890 -1.564
107 2HB CYS 13 HB3 CYS 13 1.551 1.544 -2.709
108 H SER 14 HN SER 14 4.422 -0.191 -2.665
109 HA SER 14 HA SER 14 3.400 -2.711 -1.706
110 1HB SER 14 HB2 SER 14 4.788 -3.664 -3.554
111 2HB SER 14 HB3 SER 14 3.604 -2.432 -4.097
112 HG SER 14 HG SER 14 5.280 -0.913 -4.107
113 H LYS 15 HN LYS 15 5.659 -0.551 -0.521
114 HA LYS 15 HA LYS 15 7.621 -2.357 0.485
115 1HB LYS 15 HB2 LYS 15 7.048 0.602 0.457
116 2HB LYS 15 HB3 LYS 15 8.011 -0.027 1.822
117 1HG LYS 15 HG2 LYS 15 9.513 0.758 0.143
118 2HG LYS 15 HG3 LYS 15 9.644 -1.035 0.190
119 1HD LYS 15 HD2 LYS 15 8.273 -1.199 -1.893
120 2HD LYS 15 HD3 LYS 15 7.973 0.572 -1.845
121 1HE LYS 15 HE2 LYS 15 9.701 0.041 -3.542
122 2HE LYS 15 HE3 LYS 15 10.441 0.996 -2.193
123 1HZ LYS 15 HZ1 LYS 15 10.568 -1.956 -2.538
124 2HZ LYS 15 HZ2 LYS 15 11.810 -0.844 -2.859
125 3HZ LYS 15 HZ3 LYS 15 11.260 -1.068 -1.268
126 HA PRO 16 HA PRO 16 5.086 -1.845 4.557
127 1HB PRO 16 HB2 PRO 16 2.613 -0.580 4.539
128 2HB PRO 16 HB3 PRO 16 4.197 0.237 4.860
129 1HG PRO 16 HG2 PRO 16 2.673 -0.160 2.277
130 2HG PRO 16 HG3 PRO 16 3.197 1.437 2.940
131 1HD PRO 16 HD2 PRO 16 4.739 0.246 1.086
132 2HD PRO 16 HD3 PRO 16 5.561 0.873 2.552
133 H CYS 17 HN CYS 17 2.824 -2.226 1.696
134 HA CYS 17 HA CYS 17 1.185 -4.105 2.818
135 1HB CYS 17 HB2 CYS 17 1.706 -3.637 -0.174
136 2HB CYS 17 HB3 CYS 17 0.310 -4.531 0.526
137 H LYS 18 HN LYS 18 4.278 -4.620 0.960
138 HA LYS 18 HA LYS 18 3.903 -7.512 0.932
139 1HB LYS 18 HB2 LYS 18 6.157 -5.763 -0.121
140 2HB LYS 18 HB3 LYS 18 6.117 -7.563 -0.210
141 1HG LYS 18 HG2 LYS 18 3.911 -7.426 -1.417
142 2HG LYS 18 HG3 LYS 18 4.054 -5.633 -1.383
143 1HD LYS 18 HD2 LYS 18 4.733 -6.369 -3.573
144 2HD LYS 18 HD3 LYS 18 6.216 -5.828 -2.710
145 1HE LYS 18 HE2 LYS 18 6.813 -8.250 -2.253
146 2HE LYS 18 HE3 LYS 18 5.295 -8.769 -3.095
147 1HZ LYS 18 HZ2 LYS 18 6.118 -7.731 -5.095
148 2HZ LYS 18 HZ3 LYS 18 7.541 -7.242 -4.306
149 3HZ LYS 18 HZ1 LYS 18 7.209 -8.895 -4.513
150 H GLU 19 HN GLU 19 5.069 -5.166 3.128
151 HA GLU 19 HA GLU 19 6.638 -7.078 4.680
152 1HB GLU 19 HB2 GLU 19 7.231 -4.641 4.539
153 2HB GLU 19 HB3 GLU 19 5.745 -4.244 5.434
154 1HG GLU 19 HG2 GLU 19 7.712 -4.203 6.916
155 2HG GLU 19 HG3 GLU 19 6.604 -5.518 7.433
156 H LEU 20 HN LEU 20 3.325 -6.076 4.337
157 HA LEU 20 HA LEU 20 2.392 -7.127 6.891
158 1HB LEU 20 HB2 LEU 20 1.096 -5.656 4.532
159 2HB LEU 20 HB3 LEU 20 0.086 -6.375 5.864
160 HG LEU 20 HG LEU 20 2.100 -4.120 6.107
161 1HD1 LEU 20 HD13 LEU 20 -0.023 -3.513 5.009
162 2HD1 LEU 20 HD11 LEU 20 -0.956 -4.171 6.405
163 3HD1 LEU 20 HD12 LEU 20 0.121 -2.740 6.630
164 1HD2 LEU 20 HD21 LEU 20 0.404 -5.447 8.318
165 2HD2 LEU 20 HD22 LEU 20 2.207 -5.435 8.215
166 3HD2 LEU 20 HD23 LEU 20 1.313 -3.899 8.488
167 H TYR 21 HN TYR 21 1.441 -7.549 3.434
168 HA TYR 21 HA TYR 21 0.103 -10.041 4.027
169 1HB TYR 21 HB2 TYR 21 -0.039 -8.101 1.648
170 2HB TYR 21 HB3 TYR 21 -0.963 -9.646 1.738
171 HD1 TYR 21 HD2 TYR 21 -0.606 -6.244 3.300
172 HD2 TYR 21 HD1 TYR 21 -2.783 -9.955 3.226
173 HE1 TYR 21 HE2 TYR 21 -2.409 -5.221 4.623
174 HE2 TYR 21 HE1 TYR 21 -4.615 -8.910 4.499
175 HH TYR 21 HH TYR 21 -4.435 -5.471 5.548
176 H GLY 22 HN GLY 22 3.153 -9.072 2.724
177 1HA GLY 22 HA1 GLY 22 4.793 -10.556 2.604
178 2HA GLY 22 HA2 GLY 22 3.676 -11.887 2.177
179 H SER 23 HN SER 23 2.713 -11.780 -0.028
180 HA SER 23 HA SER 23 4.328 -10.553 -2.108
181 1HB SER 23 HB2 SER 23 4.051 -13.622 -1.814
182 2HB SER 23 HB3 SER 23 4.669 -12.777 -3.287
183 HG SER 23 HG SER 23 6.308 -11.916 -1.986
184 H SER 24 HN SER 24 1.464 -11.676 -0.675
185 HA SER 24 HA SER 24 -0.114 -11.537 -3.158
186 1HB SER 24 HB2 SER 24 -0.306 -13.648 -1.783
187 2HB SER 24 HB3 SER 24 -0.901 -12.679 -0.398
188 HG SER 24 HG SER 24 -2.548 -13.603 -1.650
189 H ALA 25 HN ALA 25 0.562 -9.140 -2.946
190 HA ALA 25 HA ALA 25 -1.139 -7.649 -1.055
191 1HB ALA 25 HB1 ALA 25 1.730 -7.043 -2.033
192 2HB ALA 25 HB2 ALA 25 0.716 -5.901 -1.091
193 3HB ALA 25 HB3 ALA 25 1.235 -7.461 -0.357
194 H GLY 26 HN GLY 26 -2.628 -6.463 -2.124
195 1HA GLY 26 HA1 GLY 26 -2.138 -5.587 -4.895
196 2HA GLY 26 HA2 GLY 26 -3.691 -5.712 -3.981
197 H ALA 27 HN ALA 27 -0.629 -3.935 -4.318
198 HA ALA 27 HA ALA 27 -1.327 -2.028 -2.256
199 1HB ALA 27 HB3 ALA 27 1.191 -2.370 -4.008
200 2HB ALA 27 HB1 ALA 27 1.005 -1.177 -2.665
201 3HB ALA 27 HB2 ALA 27 0.972 -2.938 -2.321
202 H LYS 28 HN LYS 28 -2.527 -0.268 -2.747
203 HA LYS 28 HA LYS 28 -2.461 0.891 -5.465
204 1HB LYS 28 HB2 LYS 28 -4.846 0.721 -3.497
205 2HB LYS 28 HB3 LYS 28 -4.886 1.370 -5.202
206 1HG LYS 28 HG2 LYS 28 -4.417 -1.499 -4.246
207 2HG LYS 28 HG3 LYS 28 -5.962 -0.823 -4.872
208 1HD LYS 28 HD2 LYS 28 -4.950 -0.471 -7.113
209 2HD LYS 28 HD3 LYS 28 -3.366 -1.086 -6.521
210 1HE LYS 28 HE2 LYS 28 -4.400 -3.332 -6.039
211 2HE LYS 28 HE3 LYS 28 -5.986 -2.728 -6.674
212 1HZ LYS 28 HZ1 LYS 28 -3.437 -2.905 -8.196
213 2HZ LYS 28 HZ2 LYS 28 -4.762 -3.961 -8.312
214 3HZ LYS 28 HZ3 LYS 28 -4.923 -2.340 -8.793
215 H CYS 29 HN CYS 29 -2.567 3.194 -5.398
216 HA CYS 29 HA CYS 29 -2.495 4.415 -2.726
217 1HB CYS 29 HB2 CYS 29 -0.059 3.640 -3.797
218 2HB CYS 29 HB3 CYS 29 -0.146 5.309 -4.381
219 H MET 30 HN MET 30 -3.870 6.012 -2.804
220 HA MET 30 HA MET 30 -4.326 7.477 -5.322
221 1HB MET 30 HB2 MET 30 -6.288 6.611 -3.128
222 2HB MET 30 HB3 MET 30 -6.707 7.781 -4.427
223 1HG MET 30 HG2 MET 30 -6.193 6.065 -6.156
224 2HG MET 30 HG3 MET 30 -5.809 4.881 -4.870
225 1HE MET 30 HE2 MET 30 -7.668 4.137 -7.107
226 2HE MET 30 HE3 MET 30 -7.313 3.106 -5.678
227 3HE MET 30 HE1 MET 30 -9.010 3.328 -6.226
228 H ASN 31 HN ASN 31 -3.692 9.730 -5.010
229 HA ASN 31 HA ASN 31 -3.592 11.707 -4.188
230 1HB ASN 31 HB2 ASN 31 -4.872 10.812 -1.548
231 2HB ASN 31 HB3 ASN 31 -4.522 12.503 -2.052
232 1HD2 ASN 31 HD22 ASN 31 -7.991 10.773 -3.207
233 2HD2 ASN 31 HD21 ASN 31 -6.948 10.147 -1.974
234 H GLY 32 HN GLY 32 -3.050 10.232 -1.017
235 1HA GLY 32 HA1 GLY 32 -0.301 9.780 -1.368
236 2HA GLY 32 HA2 GLY 32 -0.637 11.288 -0.408
237 H LYS 33 HN LYS 33 -2.402 8.110 -0.675
238 HA LYS 33 HA LYS 33 -1.343 7.217 1.841
239 1HB LYS 33 HB2 LYS 33 -4.324 7.880 1.657
240 2HB LYS 33 HB3 LYS 33 -3.706 6.583 2.741
241 1HG LYS 33 HG2 LYS 33 -2.025 8.322 3.673
242 2HG LYS 33 HG3 LYS 33 -3.101 9.553 2.941
243 1HD LYS 33 HD2 LYS 33 -5.081 8.601 4.176
244 2HD LYS 33 HD3 LYS 33 -4.013 7.360 4.914
245 1HE LYS 33 HE2 LYS 33 -4.455 9.189 6.531
246 2HE LYS 33 HE3 LYS 33 -2.704 9.166 6.080
247 1HZ LYS 33 HZ3 LYS 33 -3.145 10.952 4.529
248 2HZ LYS 33 HZ1 LYS 33 -4.788 10.970 4.958
249 3HZ LYS 33 HZ2 LYS 33 -3.605 11.379 6.107
250 H CYS 34 HN CYS 34 -1.724 5.042 2.203
251 HA CYS 34 HA CYS 34 -1.713 3.536 -0.291
252 1HB CYS 34 HB2 CYS 34 0.380 3.790 0.972
253 2HB CYS 34 HB3 CYS 34 -0.413 3.269 2.477
254 H LYS 35 HN LYS 35 -2.613 1.439 -0.411
255 HA LYS 35 HA LYS 35 -4.497 0.568 1.658
256 1HB LYS 35 HB2 LYS 35 -4.893 0.911 -1.382
257 2HB LYS 35 HB3 LYS 35 -5.910 -0.196 -0.395
258 1HG LYS 35 HG2 LYS 35 -6.640 1.655 1.020
259 2HG LYS 35 HG3 LYS 35 -5.658 2.832 0.099
260 1HD LYS 35 HD2 LYS 35 -7.917 1.102 -1.086
261 2HD LYS 35 HD3 LYS 35 -8.134 2.789 -0.488
262 1HE LYS 35 HE2 LYS 35 -6.439 1.858 -2.895
263 2HE LYS 35 HE3 LYS 35 -7.934 2.863 -2.926
264 1HZ LYS 35 HZ3 LYS 35 -6.733 4.581 -1.742
265 2HZ LYS 35 HZ1 LYS 35 -5.325 3.631 -1.723
266 3HZ LYS 35 HZ2 LYS 35 -5.960 4.177 -3.200
267 H CYS 36 HN CYS 36 -4.349 -1.628 1.983
268 HA CYS 36 HA CYS 36 -2.555 -3.191 0.218
269 1HB CYS 36 HB2 CYS 36 -2.805 -3.464 3.271
270 2HB CYS 36 HB3 CYS 36 -1.736 -4.432 2.097
271 H TYR 37 HN TYR 37 -3.837 -4.493 -0.906
272 HA TYR 37 HA TYR 37 -6.120 -5.835 0.334
273 1HB TYR 37 HB2 TYR 37 -5.325 -5.083 -2.563
274 2HB TYR 37 HB3 TYR 37 -6.706 -6.148 -2.171
275 HD1 TYR 37 HD2 TYR 37 -8.431 -5.253 -0.464
276 HD2 TYR 37 HD1 TYR 37 -5.696 -2.665 -2.568
277 HE1 TYR 37 HE2 TYR 37 -9.913 -3.326 -0.045
278 HE2 TYR 37 HE1 TYR 37 -7.223 -0.790 -2.256
279 HH TYR 37 HH TYR 37 -10.301 -1.165 -0.398
280 H ASN 38 HN ASN 38 -6.153 -7.912 -1.657
281 HA ASN 38 HA ASN 38 -3.641 -9.399 -1.227
282 1HB ASN 38 HB2 ASN 38 -6.531 -10.401 -0.784
283 2HB ASN 38 HB3 ASN 38 -5.123 -11.505 -1.028
284 1HD2 ASN 38 HD22 ASN 38 -5.694 -9.682 2.616
285 2HD2 ASN 38 HD21 ASN 38 -6.745 -9.366 1.275
286 H ASN 39 HN ASN 39 -2.896 -9.087 -3.288
287 HA ASN 39 HA ASN 39 -4.371 -10.474 -5.409
288 1HB ASN 39 HB2 ASN 39 -3.055 -7.707 -5.742
289 2HB ASN 39 HB3 ASN 39 -3.525 -8.789 -7.104
290 1HD2 ASN 39 HD22 ASN 39 -7.108 -8.397 -6.607
291 2HD2 ASN 39 HD21 ASN 39 -5.915 -9.585 -7.010
292 1H NH2 40 HT1 ASN 39 -0.308 -10.081 -5.847
293 2H NH2 40 HT2 ASN 39 -1.345 -8.700 -5.951
No H/Q in entry = 293
Start of MODEL 33
1 1H THR 1 HN3 THR 1 -8.905 -2.703 3.481
2 2H THR 1 HN2 THR 1 -7.903 -3.846 2.724
3 3H THR 1 HN THR 1 -9.028 -4.347 3.894
4 HA THR 1 HA THR 1 -7.897 -3.115 5.566
5 HB THR 1 HB THR 1 -5.765 -4.487 5.715
6 HG1 THR 1 HG1 THR 1 -5.376 -4.636 3.464
7 1HG2 THR 1 HG22 THR 1 -7.993 -5.278 6.539
8 2HG2 THR 1 HG23 THR 1 -8.349 -5.993 4.923
9 3HG2 THR 1 HG21 THR 1 -6.988 -6.634 5.914
10 H ILE 2 HN ILE 2 -7.731 -0.870 5.198
11 HA ILE 2 HA ILE 2 -5.641 0.098 3.396
12 HB ILE 2 HB ILE 2 -8.127 1.428 4.570
13 1HG1 ILE 2 HG12 ILE 2 -7.510 0.305 1.749
14 2HG1 ILE 2 HG13 ILE 2 -8.697 -0.313 2.937
15 1HG2 ILE 2 HG21 ILE 2 -5.950 2.492 2.647
16 2HG2 ILE 2 HG22 ILE 2 -7.531 3.303 2.939
17 3HG2 ILE 2 HG23 ILE 2 -6.365 3.140 4.271
18 1HD1 ILE 2 HD13 ILE 2 -9.913 1.947 2.809
19 2HD1 ILE 2 HD11 ILE 2 -8.820 2.363 1.423
20 3HD1 ILE 2 HD12 ILE 2 -9.930 0.954 1.302
21 H ILE 3 HN ILE 3 -3.909 1.060 4.162
22 HA ILE 3 HA ILE 3 -3.578 1.464 7.067
23 HB ILE 3 HB ILE 3 -1.219 1.173 6.741
24 1HG1 ILE 3 HG12 ILE 3 -1.976 0.227 3.893
25 2HG1 ILE 3 HG13 ILE 3 -1.139 1.778 4.254
26 1HG2 ILE 3 HG21 ILE 3 -2.873 -0.583 7.486
27 2HG2 ILE 3 HG22 ILE 3 -2.987 -1.165 5.782
28 3HG2 ILE 3 HG23 ILE 3 -1.425 -1.256 6.671
29 1HD1 ILE 3 HD12 ILE 3 0.669 0.538 5.439
30 2HD1 ILE 3 HD13 ILE 3 -0.096 -1.028 4.984
31 3HD1 ILE 3 HD11 ILE 3 0.538 0.051 3.695
32 H ASN 4 HN ASN 4 -1.418 3.124 7.194
33 HA ASN 4 HA ASN 4 -2.194 5.611 5.804
34 1HB ASN 4 HB2 ASN 4 -1.584 5.269 8.817
35 2HB ASN 4 HB3 ASN 4 -1.778 6.851 7.966
36 1HD2 ASN 4 HD22 ASN 4 -5.366 6.466 7.455
37 2HD2 ASN 4 HD21 ASN 4 -3.941 7.033 6.652
38 H VAL 5 HN VAL 5 -0.455 4.945 4.364
39 HA VAL 5 HA VAL 5 2.134 5.923 5.334
40 HB VAL 5 HB VAL 5 1.578 3.419 3.663
41 1HG1 VAL 5 HG12 VAL 5 4.153 5.130 3.600
42 2HG1 VAL 5 HG13 VAL 5 4.080 3.400 3.113
43 3HG1 VAL 5 HG11 VAL 5 3.134 4.590 2.196
44 1HG2 VAL 5 HG22 VAL 5 3.406 4.056 6.070
45 2HG2 VAL 5 HG23 VAL 5 1.881 3.087 6.092
46 3HG2 VAL 5 HG21 VAL 5 3.327 2.471 5.222
47 H LYS 6 HN LYS 6 2.729 7.659 4.216
48 HA LYS 6 HA LYS 6 0.964 8.699 2.246
49 1HB LYS 6 HB2 LYS 6 3.635 9.844 3.241
50 2HB LYS 6 HB3 LYS 6 2.355 10.739 2.357
51 1HG LYS 6 HG2 LYS 6 2.114 9.495 5.171
52 2HG LYS 6 HG3 LYS 6 2.460 11.212 4.817
53 1HD LYS 6 HD2 LYS 6 -0.123 9.738 3.997
54 2HD LYS 6 HD3 LYS 6 0.072 10.711 5.486
55 1HE LYS 6 HE2 LYS 6 0.345 11.836 2.612
56 2HE LYS 6 HE3 LYS 6 -1.102 11.989 3.684
57 1HZ LYS 6 HZ2 LYS 6 0.252 13.178 5.263
58 2HZ LYS 6 HZ3 LYS 6 1.619 13.029 4.267
59 3HZ LYS 6 HZ1 LYS 6 0.280 13.932 3.741
60 H CYS 7 HN CYS 7 1.338 8.853 -0.028
61 HA CYS 7 HA CYS 7 3.818 7.715 -1.119
62 1HB CYS 7 HB2 CYS 7 2.700 5.986 -2.348
63 2HB CYS 7 HB3 CYS 7 2.248 5.856 -0.590
64 H THR 8 HN THR 8 3.737 7.786 -3.546
65 HA THR 8 HA THR 8 1.989 9.677 -4.784
66 HB THR 8 HB THR 8 3.734 11.172 -3.820
67 HG1 THR 8 HG1 THR 8 4.268 12.194 -5.724
68 1HG2 THR 8 HG21 THR 8 5.661 9.546 -3.817
69 2HG2 THR 8 HG22 THR 8 5.760 9.665 -5.615
70 3HG2 THR 8 HG23 THR 8 6.063 11.114 -4.598
71 H SER 9 HN SER 9 2.675 6.759 -4.649
72 HA SER 9 HA SER 9 2.770 6.111 -7.348
73 1HB SER 9 HB2 SER 9 4.954 4.847 -7.444
74 2HB SER 9 HB3 SER 9 5.206 6.612 -7.207
75 HG SER 9 HG SER 9 6.540 5.400 -5.933
76 HA PRO 10 HA PRO 10 1.226 2.546 -4.934
77 1HB PRO 10 HB2 PRO 10 1.584 0.978 -7.529
78 2HB PRO 10 HB3 PRO 10 0.189 1.046 -6.389
79 1HG PRO 10 HG2 PRO 10 0.159 2.445 -8.751
80 2HG PRO 10 HG3 PRO 10 -0.456 3.226 -7.232
81 1HD PRO 10 HD2 PRO 10 2.336 3.513 -8.501
82 2HD PRO 10 HD3 PRO 10 1.189 4.813 -7.933
83 H LYS 11 HN LYS 11 4.378 2.447 -6.595
84 HA LYS 11 HA LYS 11 5.372 0.156 -5.246
85 1HB LYS 11 HB2 LYS 11 6.123 0.942 -7.482
86 2HB LYS 11 HB3 LYS 11 6.853 2.390 -6.734
87 1HG LYS 11 HG2 LYS 11 8.515 0.649 -7.323
88 2HG LYS 11 HG3 LYS 11 8.523 0.965 -5.562
89 1HD LYS 11 HD2 LYS 11 7.190 -1.111 -5.167
90 2HD LYS 11 HD3 LYS 11 7.119 -1.411 -6.943
91 1HE LYS 11 HE2 LYS 11 9.624 -1.668 -6.994
92 2HE LYS 11 HE3 LYS 11 9.693 -1.328 -5.215
93 1HZ LYS 11 HZ1 LYS 11 8.331 -3.269 -4.846
94 2HZ LYS 11 HZ2 LYS 11 8.266 -3.591 -6.512
95 3HZ LYS 11 HZ3 LYS 11 9.750 -3.667 -5.690
96 H GLN 12 HN GLN 12 4.828 3.415 -4.082
97 HA GLN 12 HA GLN 12 6.779 3.306 -1.967
98 1HB GLN 12 HB2 GLN 12 6.366 5.416 -3.140
99 2HB GLN 12 HB3 GLN 12 4.667 5.326 -2.830
100 1HG GLN 12 HG2 GLN 12 5.894 6.987 -1.388
101 2HG GLN 12 HG3 GLN 12 5.144 5.732 -0.349
102 1HE2 GLN 12 HE22 GLN 12 9.308 5.693 -0.965
103 2HE2 GLN 12 HE21 GLN 12 8.252 6.268 -2.212
104 H CYS 13 HN CYS 13 3.844 1.864 -2.689
105 HA CYS 13 HA CYS 13 2.859 1.768 0.075
106 1HB CYS 13 HB2 CYS 13 1.387 3.036 -1.488
107 2HB CYS 13 HB3 CYS 13 1.424 1.703 -2.665
108 H SER 14 HN SER 14 4.366 0.003 -2.570
109 HA SER 14 HA SER 14 3.515 -2.640 -1.675
110 1HB SER 14 HB2 SER 14 5.553 -1.725 -3.801
111 2HB SER 14 HB3 SER 14 5.105 -3.443 -3.457
112 HG SER 14 HG SER 14 2.974 -2.883 -3.978
113 H LYS 15 HN LYS 15 5.549 -0.257 -0.466
114 HA LYS 15 HA LYS 15 7.695 -1.841 0.514
115 1HB LYS 15 HB2 LYS 15 6.727 1.033 0.620
116 2HB LYS 15 HB3 LYS 15 7.956 0.475 1.785
117 1HG LYS 15 HG2 LYS 15 9.410 -0.212 -0.161
118 2HG LYS 15 HG3 LYS 15 8.099 0.307 -1.283
119 1HD LYS 15 HD2 LYS 15 8.260 2.645 -0.328
120 2HD LYS 15 HD3 LYS 15 9.686 2.128 0.633
121 1HE LYS 15 HE2 LYS 15 9.463 2.092 -2.464
122 2HE LYS 15 HE3 LYS 15 10.355 3.319 -1.477
123 1HZ LYS 15 HZ1 LYS 15 10.938 0.406 -1.592
124 2HZ LYS 15 HZ2 LYS 15 11.805 1.645 -2.368
125 3HZ LYS 15 HZ3 LYS 15 11.776 1.561 -0.671
126 HA PRO 16 HA PRO 16 5.194 -1.632 4.613
127 1HB PRO 16 HB2 PRO 16 2.683 -0.477 4.725
128 2HB PRO 16 HB3 PRO 16 4.233 0.427 4.957
129 1HG PRO 16 HG2 PRO 16 2.603 -0.063 2.452
130 2HG PRO 16 HG3 PRO 16 3.055 1.565 3.096
131 1HD PRO 16 HD2 PRO 16 4.584 0.449 1.166
132 2HD PRO 16 HD3 PRO 16 5.440 1.144 2.579
133 H CYS 17 HN CYS 17 2.903 -2.090 1.781
134 HA CYS 17 HA CYS 17 1.457 -4.150 2.943
135 1HB CYS 17 HB2 CYS 17 1.657 -3.432 -0.020
136 2HB CYS 17 HB3 CYS 17 0.418 -4.500 0.724
137 H LYS 18 HN LYS 18 4.573 -4.296 1.088
138 HA LYS 18 HA LYS 18 4.408 -7.207 1.012
139 1HB LYS 18 HB2 LYS 18 6.577 -5.359 -0.011
140 2HB LYS 18 HB3 LYS 18 6.672 -7.161 -0.024
141 1HG LYS 18 HG2 LYS 18 4.527 -7.288 -1.239
142 2HG LYS 18 HG3 LYS 18 4.478 -5.493 -1.339
143 1HD LYS 18 HD2 LYS 18 6.605 -5.503 -2.661
144 2HD LYS 18 HD3 LYS 18 6.692 -7.293 -2.541
145 1HE LYS 18 HE2 LYS 18 4.422 -5.707 -3.939
146 2HE LYS 18 HE3 LYS 18 5.803 -6.528 -4.773
147 1HZ LYS 18 HZ1 LYS 18 5.036 -8.617 -3.872
148 2HZ LYS 18 HZ2 LYS 18 3.739 -7.849 -3.090
149 3HZ LYS 18 HZ3 LYS 18 3.822 -7.858 -4.786
150 H GLU 19 HN GLU 19 5.318 -4.819 3.234
151 HA GLU 19 HA GLU 19 6.991 -6.604 4.837
152 1HB GLU 19 HB2 GLU 19 7.373 -4.138 4.693
153 2HB GLU 19 HB3 GLU 19 5.859 -3.866 5.604
154 1HG GLU 19 HG2 GLU 19 6.838 -5.143 7.565
155 2HG GLU 19 HG3 GLU 19 8.340 -5.428 6.608
156 H LEU 20 HN LEU 20 3.623 -5.903 4.381
157 HA LEU 20 HA LEU 20 2.719 -7.133 6.883
158 1HB LEU 20 HB2 LEU 20 1.322 -5.577 4.624
159 2HB LEU 20 HB3 LEU 20 0.401 -6.406 5.954
160 HG LEU 20 HG LEU 20 2.257 -4.022 6.182
161 1HD1 LEU 20 HD13 LEU 20 -0.001 -3.561 5.313
162 2HD1 LEU 20 HD11 LEU 20 -0.739 -4.357 6.753
163 3HD1 LEU 20 HD12 LEU 20 0.231 -2.849 6.951
164 1HD2 LEU 20 HD23 LEU 20 0.900 -5.590 8.471
165 2HD2 LEU 20 HD21 LEU 20 2.677 -5.400 8.208
166 3HD2 LEU 20 HD22 LEU 20 1.675 -3.970 8.632
167 H TYR 21 HN TYR 21 1.666 -7.246 3.454
168 HA TYR 21 HA TYR 21 0.751 -10.007 3.710
169 1HB TYR 21 HB2 TYR 21 0.037 -7.708 1.743
170 2HB TYR 21 HB3 TYR 21 -0.738 -9.333 1.749
171 HD1 TYR 21 HD2 TYR 21 -2.116 -10.031 3.678
172 HD2 TYR 21 HD1 TYR 21 -0.576 -6.021 3.394
173 HE1 TYR 21 HE2 TYR 21 -3.775 -9.277 5.342
174 HE2 TYR 21 HE1 TYR 21 -2.257 -5.261 5.018
175 HH TYR 21 HH TYR 21 -4.588 -7.547 6.526
176 H GLY 22 HN GLY 22 3.570 -9.732 3.312
177 1HA GLY 22 HA1 GLY 22 4.316 -9.415 0.616
178 2HA GLY 22 HA2 GLY 22 5.288 -9.910 2.036
179 H SER 23 HN SER 23 3.267 -11.016 -0.625
180 HA SER 23 HA SER 23 4.909 -13.160 -1.232
181 1HB SER 23 HB2 SER 23 3.648 -14.323 0.695
182 2HB SER 23 HB3 SER 23 2.107 -14.012 -0.162
183 HG SER 23 HG SER 23 2.992 -15.265 -1.886
184 H SER 24 HN SER 24 1.432 -12.184 -1.296
185 HA SER 24 HA SER 24 1.650 -11.447 -4.122
186 1HB SER 24 HB2 SER 24 0.726 -13.804 -3.901
187 2HB SER 24 HB3 SER 24 -0.566 -13.170 -2.836
188 HG SER 24 HG SER 24 -1.190 -11.861 -4.641
189 H ALA 25 HN ALA 25 2.052 -9.413 -2.683
190 HA ALA 25 HA ALA 25 -0.266 -8.279 -1.388
191 1HB ALA 25 HB2 ALA 25 2.022 -7.784 -0.516
192 2HB ALA 25 HB3 ALA 25 2.442 -6.961 -2.055
193 3HB ALA 25 HB1 ALA 25 1.171 -6.283 -0.990
194 H GLY 26 HN GLY 26 -1.675 -6.770 -2.179
195 1HA GLY 26 HA1 GLY 26 -1.186 -5.493 -4.788
196 2HA GLY 26 HA2 GLY 26 -2.754 -5.743 -3.923
197 H ALA 27 HN ALA 27 -1.470 -3.169 -4.777
198 HA ALA 27 HA ALA 27 -1.421 -1.788 -2.226
199 1HB ALA 27 HB2 ALA 27 1.039 -1.961 -4.101
200 2HB ALA 27 HB3 ALA 27 0.849 -0.745 -2.785
201 3HB ALA 27 HB1 ALA 27 0.966 -2.490 -2.387
202 H LYS 28 HN LYS 28 -2.638 0.026 -2.639
203 HA LYS 28 HA LYS 28 -2.612 1.158 -5.374
204 1HB LYS 28 HB2 LYS 28 -4.958 1.106 -3.382
205 2HB LYS 28 HB3 LYS 28 -5.004 1.738 -5.077
206 1HG LYS 28 HG2 LYS 28 -4.636 -1.188 -4.219
207 2HG LYS 28 HG3 LYS 28 -6.171 -0.423 -4.745
208 1HD LYS 28 HD2 LYS 28 -5.234 0.018 -6.998
209 2HD LYS 28 HD3 LYS 28 -3.655 -0.691 -6.507
210 1HE LYS 28 HE2 LYS 28 -4.759 -2.915 -6.105
211 2HE LYS 28 HE3 LYS 28 -6.348 -2.214 -6.619
212 1HZ LYS 28 HZ1 LYS 28 -3.892 -2.404 -8.285
213 2HZ LYS 28 HZ2 LYS 28 -5.265 -3.398 -8.387
214 3HZ LYS 28 HZ3 LYS 28 -5.381 -1.747 -8.768
215 H CYS 29 HN CYS 29 -2.443 3.344 -5.421
216 HA CYS 29 HA CYS 29 -2.051 4.787 -2.863
217 1HB CYS 29 HB2 CYS 29 0.088 4.442 -4.106
218 2HB CYS 29 HB3 CYS 29 -0.595 5.263 -5.532
219 H MET 30 HN MET 30 -3.975 5.706 -2.578
220 HA MET 30 HA MET 30 -5.347 7.112 -4.760
221 1HB MET 30 HB2 MET 30 -6.354 6.090 -2.040
222 2HB MET 30 HB3 MET 30 -7.349 7.015 -3.216
223 1HG MET 30 HG2 MET 30 -6.108 4.237 -3.622
224 2HG MET 30 HG3 MET 30 -7.821 4.627 -3.292
225 1HE MET 30 HE2 MET 30 -6.967 2.687 -5.469
226 2HE MET 30 HE3 MET 30 -8.663 3.185 -5.150
227 3HE MET 30 HE1 MET 30 -8.032 3.169 -6.832
228 H ASN 31 HN ASN 31 -4.988 9.434 -4.621
229 HA ASN 31 HA ASN 31 -4.520 11.385 -4.004
230 1HB ASN 31 HB2 ASN 31 -5.113 12.494 -1.951
231 2HB ASN 31 HB3 ASN 31 -6.417 11.558 -2.725
232 1HD2 ASN 31 HD22 ASN 31 -5.242 10.678 1.142
233 2HD2 ASN 31 HD21 ASN 31 -4.306 11.753 0.159
234 H GLY 32 HN GLY 32 -3.301 9.973 -0.982
235 1HA GLY 32 HA1 GLY 32 -0.700 9.632 -1.836
236 2HA GLY 32 HA2 GLY 32 -0.844 11.208 -0.925
237 H LYS 33 HN LYS 33 -2.372 7.935 -0.750
238 HA LYS 33 HA LYS 33 -1.265 7.330 1.810
239 1HB LYS 33 HB2 LYS 33 -4.235 8.039 1.621
240 2HB LYS 33 HB3 LYS 33 -3.676 6.747 2.744
241 1HG LYS 33 HG2 LYS 33 -1.972 8.370 3.688
242 2HG LYS 33 HG3 LYS 33 -2.819 9.685 2.811
243 1HD LYS 33 HD2 LYS 33 -4.942 9.179 3.977
244 2HD LYS 33 HD3 LYS 33 -4.187 7.782 4.818
245 1HE LYS 33 HE2 LYS 33 -3.301 10.734 5.156
246 2HE LYS 33 HE3 LYS 33 -4.369 9.818 6.298
247 1HZ LYS 33 HZ2 LYS 33 -2.578 8.261 6.645
248 2HZ LYS 33 HZ3 LYS 33 -1.573 9.119 5.577
249 3HZ LYS 33 HZ1 LYS 33 -2.098 9.846 7.020
250 H CYS 34 HN CYS 34 -1.673 5.126 2.310
251 HA CYS 34 HA CYS 34 -1.620 3.581 -0.161
252 1HB CYS 34 HB2 CYS 34 0.448 3.824 1.149
253 2HB CYS 34 HB3 CYS 34 -0.372 3.263 2.628
254 H LYS 35 HN LYS 35 -2.780 1.767 -0.459
255 HA LYS 35 HA LYS 35 -4.538 0.718 1.668
256 1HB LYS 35 HB2 LYS 35 -4.877 0.687 -1.398
257 2HB LYS 35 HB3 LYS 35 -5.950 -0.144 -0.213
258 1HG LYS 35 HG2 LYS 35 -6.693 1.986 0.686
259 2HG LYS 35 HG3 LYS 35 -5.455 2.879 -0.249
260 1HD LYS 35 HD2 LYS 35 -7.356 3.302 -1.471
261 2HD LYS 35 HD3 LYS 35 -6.537 1.960 -2.378
262 1HE LYS 35 HE2 LYS 35 -8.538 0.950 -2.467
263 2HE LYS 35 HE3 LYS 35 -8.370 0.594 -0.701
264 1HZ LYS 35 HZ2 LYS 35 -9.649 2.990 -1.924
265 2HZ LYS 35 HZ3 LYS 35 -10.447 1.651 -1.249
266 3HZ LYS 35 HZ1 LYS 35 -9.517 2.672 -0.261
267 H CYS 36 HN CYS 36 -4.498 -1.521 1.852
268 HA CYS 36 HA CYS 36 -2.536 -3.012 0.175
269 1HB CYS 36 HB2 CYS 36 -3.233 -3.782 3.050
270 2HB CYS 36 HB3 CYS 36 -2.088 -4.609 1.847
271 H TYR 37 HN TYR 37 -3.208 -4.914 -0.701
272 HA TYR 37 HA TYR 37 -6.004 -5.717 -0.397
273 1HB TYR 37 HB2 TYR 37 -4.387 -4.762 -2.830
274 2HB TYR 37 HB3 TYR 37 -5.578 -6.080 -3.070
275 HD1 TYR 37 HD2 TYR 37 -7.932 -5.724 -2.635
276 HD2 TYR 37 HD1 TYR 37 -5.172 -2.431 -2.243
277 HE1 TYR 37 HE2 TYR 37 -9.817 -4.133 -2.611
278 HE2 TYR 37 HE1 TYR 37 -7.031 -0.867 -2.184
279 HH TYR 37 HH TYR 37 -10.459 -2.011 -2.464
280 H ASN 38 HN ASN 38 -6.325 -7.908 -0.915
281 HA ASN 38 HA ASN 38 -3.963 -9.637 -0.499
282 1HB ASN 38 HB2 ASN 38 -6.917 -9.943 0.360
283 2HB ASN 38 HB3 ASN 38 -5.708 -11.280 0.430
284 1HD2 ASN 38 HD22 ASN 38 -5.525 -8.170 3.190
285 2HD2 ASN 38 HD21 ASN 38 -6.459 -7.985 1.742
286 H ASN 39 HN ASN 39 -3.389 -10.236 -2.555
287 HA ASN 39 HA ASN 39 -5.459 -11.139 -4.447
288 1HB ASN 39 HB2 ASN 39 -2.459 -10.550 -4.831
289 2HB ASN 39 HB3 ASN 39 -3.589 -11.115 -6.119
290 1HD2 ASN 39 HD22 ASN 39 -5.477 -7.945 -6.164
291 2HD2 ASN 39 HD21 ASN 39 -5.773 -9.651 -6.117
292 1H NH2 40 HT1 ASN 39 -4.970 -13.204 -5.563
293 2H NH2 40 HT2 ASN 39 -4.163 -14.471 -4.699
No H/Q in entry = 293
Start of MODEL 34
1 1H THR 1 HN2 THR 1 -9.498 -2.916 3.125
2 2H THR 1 HN THR 1 -8.274 -3.933 2.529
3 3H THR 1 HN3 THR 1 -9.245 -4.443 3.827
4 HA THR 1 HA THR 1 -8.390 -2.696 5.196
5 HB THR 1 HB THR 1 -6.188 -4.427 3.904
6 HG1 THR 1 HG1 THR 1 -7.959 -5.530 4.778
7 1HG2 THR 1 HG23 THR 1 -6.262 -2.957 6.636
8 2HG2 THR 1 HG21 THR 1 -5.042 -4.194 6.161
9 3HG2 THR 1 HG22 THR 1 -5.111 -2.636 5.285
10 H ILE 2 HN ILE 2 -7.698 -0.590 5.257
11 HA ILE 2 HA ILE 2 -5.978 0.443 3.128
12 HB ILE 2 HB ILE 2 -8.354 1.842 4.473
13 1HG1 ILE 2 HG12 ILE 2 -7.937 0.775 1.599
14 2HG1 ILE 2 HG13 ILE 2 -9.182 0.316 2.796
15 1HG2 ILE 2 HG22 ILE 2 -6.179 2.862 2.529
16 2HG2 ILE 2 HG23 ILE 2 -7.674 3.777 2.959
17 3HG2 ILE 2 HG21 ILE 2 -6.473 3.410 4.218
18 1HD1 ILE 2 HD11 ILE 2 -10.063 2.740 2.706
19 2HD1 ILE 2 HD12 ILE 2 -8.954 2.991 1.291
20 3HD1 ILE 2 HD13 ILE 2 -10.263 1.762 1.205
21 H ILE 3 HN ILE 3 -4.109 1.137 4.002
22 HA ILE 3 HA ILE 3 -3.844 1.396 6.920
23 HB ILE 3 HB ILE 3 -1.540 1.009 6.717
24 1HG1 ILE 3 HG12 ILE 3 -2.004 0.342 3.739
25 2HG1 ILE 3 HG13 ILE 3 -1.251 1.876 4.297
26 1HG2 ILE 3 HG22 ILE 3 -3.283 -0.781 7.098
27 2HG2 ILE 3 HG23 ILE 3 -3.248 -1.159 5.334
28 3HG2 ILE 3 HG21 ILE 3 -1.778 -1.396 6.338
29 1HD1 ILE 3 HD12 ILE 3 0.475 0.610 5.557
30 2HD1 ILE 3 HD13 ILE 3 -0.183 -0.945 4.929
31 3HD1 ILE 3 HD11 ILE 3 0.522 0.241 3.780
32 H ASN 4 HN ASN 4 -1.572 2.988 7.097
33 HA ASN 4 HA ASN 4 -2.271 5.532 5.808
34 1HB ASN 4 HB2 ASN 4 -1.994 6.732 8.014
35 2HB ASN 4 HB3 ASN 4 -3.487 5.776 7.824
36 1HD2 ASN 4 HD22 ASN 4 -2.835 3.443 10.447
37 2HD2 ASN 4 HD21 ASN 4 -3.735 3.737 8.995
38 H VAL 5 HN VAL 5 -0.513 4.824 4.448
39 HA VAL 5 HA VAL 5 2.032 5.845 5.481
40 HB VAL 5 HB VAL 5 1.539 3.314 3.824
41 1HG1 VAL 5 HG11 VAL 5 4.072 5.084 3.777
42 2HG1 VAL 5 HG12 VAL 5 4.097 3.327 3.407
43 3HG1 VAL 5 HG13 VAL 5 3.128 4.406 2.374
44 1HG2 VAL 5 HG22 VAL 5 3.297 3.990 6.274
45 2HG2 VAL 5 HG23 VAL 5 1.774 3.021 6.268
46 3HG2 VAL 5 HG21 VAL 5 3.243 2.394 5.445
47 H LYS 6 HN LYS 6 2.803 7.465 4.252
48 HA LYS 6 HA LYS 6 1.044 8.549 2.292
49 1HB LYS 6 HB2 LYS 6 3.786 9.565 3.240
50 2HB LYS 6 HB3 LYS 6 2.578 10.500 2.286
51 1HG LYS 6 HG2 LYS 6 2.196 9.447 5.161
52 2HG LYS 6 HG3 LYS 6 2.644 11.117 4.682
53 1HD LYS 6 HD2 LYS 6 0.482 11.351 3.442
54 2HD LYS 6 HD3 LYS 6 0.004 9.699 3.974
55 1HE LYS 6 HE2 LYS 6 0.085 10.423 6.374
56 2HE LYS 6 HE3 LYS 6 0.595 12.084 5.859
57 1HZ LYS 6 HZ2 LYS 6 -1.950 10.730 5.132
58 2HZ LYS 6 HZ3 LYS 6 -1.749 11.949 6.297
59 3HZ LYS 6 HZ1 LYS 6 -1.470 12.287 4.655
60 H CYS 7 HN CYS 7 1.399 8.691 0.022
61 HA CYS 7 HA CYS 7 3.793 7.478 -1.169
62 1HB CYS 7 HB2 CYS 7 2.633 5.745 -2.328
63 2HB CYS 7 HB3 CYS 7 2.149 5.655 -0.584
64 H THR 8 HN THR 8 3.113 7.380 -3.635
65 HA THR 8 HA THR 8 2.574 9.982 -4.642
66 HB THR 8 HB THR 8 5.411 8.756 -4.425
67 HG1 THR 8 HG1 THR 8 4.728 9.980 -2.656
68 1HG2 THR 8 HG21 THR 8 4.400 11.226 -5.981
69 2HG2 THR 8 HG22 THR 8 6.137 10.787 -5.716
70 3HG2 THR 8 HG23 THR 8 5.087 9.712 -6.701
71 H SER 9 HN SER 9 4.290 6.868 -4.887
72 HA SER 9 HA SER 9 2.970 6.175 -7.402
73 1HB SER 9 HB2 SER 9 4.929 4.762 -7.845
74 2HB SER 9 HB3 SER 9 5.458 6.419 -7.326
75 HG SER 9 HG SER 9 5.843 5.641 -5.293
76 HA PRO 10 HA PRO 10 1.240 2.660 -4.998
77 1HB PRO 10 HB2 PRO 10 1.523 1.032 -7.558
78 2HB PRO 10 HB3 PRO 10 0.130 1.216 -6.431
79 1HG PRO 10 HG2 PRO 10 0.225 2.558 -8.840
80 2HG PRO 10 HG3 PRO 10 -0.380 3.404 -7.353
81 1HD PRO 10 HD2 PRO 10 2.453 3.511 -8.562
82 2HD PRO 10 HD3 PRO 10 1.368 4.886 -8.049
83 H LYS 11 HN LYS 11 4.372 2.375 -6.681
84 HA LYS 11 HA LYS 11 5.334 0.107 -5.302
85 1HB LYS 11 HB2 LYS 11 6.172 0.878 -7.489
86 2HB LYS 11 HB3 LYS 11 6.815 2.368 -6.741
87 1HG LYS 11 HG2 LYS 11 8.577 0.698 -7.215
88 2HG LYS 11 HG3 LYS 11 8.480 1.050 -5.465
89 1HD LYS 11 HD2 LYS 11 7.167 -1.101 -5.138
90 2HD LYS 11 HD3 LYS 11 7.311 -1.422 -6.901
91 1HE LYS 11 HE2 LYS 11 8.982 -2.737 -5.638
92 2HE LYS 11 HE3 LYS 11 9.840 -1.490 -6.636
93 1HZ LYS 11 HZ1 LYS 11 9.192 -1.295 -3.737
94 2HZ LYS 11 HZ2 LYS 11 10.712 -1.638 -4.414
95 3HZ LYS 11 HZ3 LYS 11 9.993 -0.118 -4.664
96 H GLN 12 HN GLN 12 4.855 3.432 -4.206
97 HA GLN 12 HA GLN 12 6.764 3.339 -2.064
98 1HB GLN 12 HB2 GLN 12 6.268 5.364 -3.482
99 2HB GLN 12 HB3 GLN 12 4.695 5.437 -2.842
100 1HG GLN 12 HG2 GLN 12 5.645 5.921 -0.533
101 2HG GLN 12 HG3 GLN 12 7.288 5.456 -1.106
102 1HE2 GLN 12 HE22 GLN 12 7.688 8.499 -3.160
103 2HE2 GLN 12 HE21 GLN 12 7.844 6.782 -3.338
104 H CYS 13 HN CYS 13 3.824 1.959 -2.729
105 HA CYS 13 HA CYS 13 2.841 1.919 0.037
106 1HB CYS 13 HB2 CYS 13 1.323 3.144 -1.514
107 2HB CYS 13 HB3 CYS 13 1.402 1.825 -2.702
108 H SER 14 HN SER 14 4.334 0.106 -2.622
109 HA SER 14 HA SER 14 3.450 -2.504 -1.713
110 1HB SER 14 HB2 SER 14 5.547 -1.624 -3.797
111 2HB SER 14 HB3 SER 14 5.078 -3.336 -3.464
112 HG SER 14 HG SER 14 3.375 -1.265 -4.346
113 H LYS 15 HN LYS 15 5.555 -0.173 -0.507
114 HA LYS 15 HA LYS 15 7.647 -1.789 0.509
115 1HB LYS 15 HB2 LYS 15 6.696 1.087 0.622
116 2HB LYS 15 HB3 LYS 15 7.889 0.518 1.820
117 1HG LYS 15 HG2 LYS 15 9.402 -0.163 -0.067
118 2HG LYS 15 HG3 LYS 15 8.135 0.353 -1.241
119 1HD LYS 15 HD2 LYS 15 8.299 2.708 -0.380
120 2HD LYS 15 HD3 LYS 15 9.556 2.184 0.791
121 1HE LYS 15 HE2 LYS 15 10.627 3.281 -1.151
122 2HE LYS 15 HE3 LYS 15 11.065 1.524 -1.134
123 1HZ LYS 15 HZ2 LYS 15 8.951 2.795 -2.796
124 2HZ LYS 15 HZ3 LYS 15 10.489 2.297 -3.319
125 3HZ LYS 15 HZ1 LYS 15 9.359 1.147 -2.784
126 HA PRO 16 HA PRO 16 5.130 -1.601 4.597
127 1HB PRO 16 HB2 PRO 16 2.611 -0.442 4.699
128 2HB PRO 16 HB3 PRO 16 4.160 0.465 4.931
129 1HG PRO 16 HG2 PRO 16 2.547 -0.054 2.420
130 2HG PRO 16 HG3 PRO 16 2.968 1.583 3.056
131 1HD PRO 16 HD2 PRO 16 4.535 0.488 1.150
132 2HD PRO 16 HD3 PRO 16 5.372 1.183 2.572
133 H CYS 17 HN CYS 17 2.883 -2.083 1.739
134 HA CYS 17 HA CYS 17 1.364 -4.071 2.891
135 1HB CYS 17 HB2 CYS 17 1.765 -3.545 -0.100
136 2HB CYS 17 HB3 CYS 17 0.453 -4.530 0.636
137 H LYS 18 HN LYS 18 4.512 -4.318 1.100
138 HA LYS 18 HA LYS 18 4.398 -7.238 1.061
139 1HB LYS 18 HB2 LYS 18 6.477 -5.257 0.057
140 2HB LYS 18 HB3 LYS 18 6.714 -7.047 0.050
141 1HG LYS 18 HG2 LYS 18 4.603 -7.342 -1.198
142 2HG LYS 18 HG3 LYS 18 4.408 -5.555 -1.286
143 1HD LYS 18 HD2 LYS 18 6.450 -5.368 -2.678
144 2HD LYS 18 HD3 LYS 18 6.833 -7.104 -2.413
145 1HE LYS 18 HE2 LYS 18 5.860 -6.741 -4.688
146 2HE LYS 18 HE3 LYS 18 4.792 -7.797 -3.674
147 1HZ LYS 18 HZ1 LYS 18 4.423 -4.886 -4.157
148 2HZ LYS 18 HZ2 LYS 18 3.558 -6.153 -4.889
149 3HZ LYS 18 HZ3 LYS 18 3.421 -5.886 -3.217
150 H GLU 19 HN GLU 19 5.261 -4.787 3.263
151 HA GLU 19 HA GLU 19 6.939 -6.521 4.914
152 1HB GLU 19 HB2 GLU 19 7.293 -4.054 4.730
153 2HB GLU 19 HB3 GLU 19 5.759 -3.787 5.612
154 1HG GLU 19 HG2 GLU 19 6.726 -5.001 7.614
155 2HG GLU 19 HG3 GLU 19 8.238 -5.304 6.678
156 H LEU 20 HN LEU 20 3.564 -5.868 4.411
157 HA LEU 20 HA LEU 20 2.631 -6.995 6.936
158 1HB LEU 20 HB2 LEU 20 1.303 -5.612 4.542
159 2HB LEU 20 HB3 LEU 20 0.311 -6.418 5.835
160 HG LEU 20 HG LEU 20 2.117 -3.999 6.133
161 1HD1 LEU 20 HD13 LEU 20 -0.044 -3.589 5.020
162 2HD1 LEU 20 HD11 LEU 20 -0.923 -4.334 6.407
163 3HD1 LEU 20 HD12 LEU 20 0.018 -2.812 6.645
164 1HD2 LEU 20 HD21 LEU 20 0.534 -5.492 8.324
165 2HD2 LEU 20 HD22 LEU 20 2.328 -5.302 8.238
166 3HD2 LEU 20 HD23 LEU 20 1.287 -3.864 8.508
167 H TYR 21 HN TYR 21 1.813 -7.446 3.450
168 HA TYR 21 HA TYR 21 0.664 -10.037 3.962
169 1HB TYR 21 HB2 TYR 21 0.549 -8.117 1.555
170 2HB TYR 21 HB3 TYR 21 -0.290 -9.708 1.604
171 HD1 TYR 21 HD2 TYR 21 -0.234 -6.262 3.129
172 HD2 TYR 21 HD1 TYR 21 -2.154 -10.112 3.005
173 HE1 TYR 21 HE2 TYR 21 -2.145 -5.354 4.380
174 HE2 TYR 21 HE1 TYR 21 -4.089 -9.188 4.218
175 HH TYR 21 HH TYR 21 -4.991 -7.384 5.208
176 H GLY 22 HN GLY 22 3.701 -8.836 2.812
177 1HA GLY 22 HA1 GLY 22 5.457 -10.188 2.818
178 2HA GLY 22 HA2 GLY 22 4.477 -11.606 2.335
179 H SER 23 HN SER 23 3.671 -11.614 0.086
180 HA SER 23 HA SER 23 5.263 -10.257 -1.925
181 1HB SER 23 HB2 SER 23 5.352 -13.333 -1.557
182 2HB SER 23 HB3 SER 23 5.946 -12.452 -3.020
183 HG SER 23 HG SER 23 6.882 -12.121 -0.375
184 H SER 24 HN SER 24 2.474 -11.642 -0.614
185 HA SER 24 HA SER 24 1.030 -11.734 -3.179
186 1HB SER 24 HB2 SER 24 0.988 -13.840 -1.764
187 2HB SER 24 HB3 SER 24 0.220 -12.913 -0.437
188 HG SER 24 HG SER 24 -1.471 -12.454 -1.945
189 H ALA 25 HN ALA 25 1.586 -9.291 -2.852
190 HA ALA 25 HA ALA 25 -0.342 -7.930 -1.082
191 1HB ALA 25 HB3 ALA 25 2.496 -7.081 -1.959
192 2HB ALA 25 HB1 ALA 25 1.375 -6.066 -0.989
193 3HB ALA 25 HB2 ALA 25 2.018 -7.605 -0.315
194 H GLY 26 HN GLY 26 -1.781 -6.729 -2.118
195 1HA GLY 26 HA1 GLY 26 -1.172 -5.515 -4.730
196 2HA GLY 26 HA2 GLY 26 -2.774 -5.710 -3.909
197 H ALA 27 HN ALA 27 -1.439 -3.168 -4.795
198 HA ALA 27 HA ALA 27 -1.399 -1.747 -2.257
199 1HB ALA 27 HB1 ALA 27 1.051 -1.926 -4.139
200 2HB ALA 27 HB2 ALA 27 0.859 -0.709 -2.821
201 3HB ALA 27 HB3 ALA 27 0.983 -2.454 -2.423
202 H LYS 28 HN LYS 28 -2.635 0.030 -2.680
203 HA LYS 28 HA LYS 28 -2.697 1.117 -5.431
204 1HB LYS 28 HB2 LYS 28 -5.010 1.068 -3.406
205 2HB LYS 28 HB3 LYS 28 -5.112 1.595 -5.127
206 1HG LYS 28 HG2 LYS 28 -4.637 -1.260 -4.103
207 2HG LYS 28 HG3 LYS 28 -6.207 -0.571 -4.620
208 1HD LYS 28 HD2 LYS 28 -5.359 -0.269 -6.933
209 2HD LYS 28 HD3 LYS 28 -3.734 -0.868 -6.443
210 1HE LYS 28 HE2 LYS 28 -4.717 -3.106 -5.846
211 2HE LYS 28 HE3 LYS 28 -6.351 -2.520 -6.367
212 1HZ LYS 28 HZ2 LYS 28 -3.928 -2.718 -8.079
213 2HZ LYS 28 HZ3 LYS 28 -5.253 -3.780 -8.073
214 3HZ LYS 28 HZ1 LYS 28 -5.458 -2.169 -8.570
215 H CYS 29 HN CYS 29 -2.474 3.283 -5.487
216 HA CYS 29 HA CYS 29 -2.102 4.748 -2.934
217 1HB CYS 29 HB2 CYS 29 0.049 4.337 -4.150
218 2HB CYS 29 HB3 CYS 29 -0.594 5.174 -5.586
219 H MET 30 HN MET 30 -3.947 5.816 -2.665
220 HA MET 30 HA MET 30 -5.201 7.283 -4.887
221 1HB MET 30 HB2 MET 30 -6.346 6.239 -2.242
222 2HB MET 30 HB3 MET 30 -7.217 7.370 -3.333
223 1HG MET 30 HG2 MET 30 -6.903 5.643 -5.204
224 2HG MET 30 HG3 MET 30 -6.294 4.513 -3.958
225 1HE MET 30 HE3 MET 30 -9.248 6.404 -5.581
226 2HE MET 30 HE1 MET 30 -10.644 6.153 -4.478
227 3HE MET 30 HE2 MET 30 -9.306 7.244 -3.991
228 H ASN 31 HN ASN 31 -4.662 9.567 -4.735
229 HA ASN 31 HA ASN 31 -4.145 11.494 -4.086
230 1HB ASN 31 HB2 ASN 31 -4.734 12.606 -2.037
231 2HB ASN 31 HB3 ASN 31 -6.064 11.757 -2.859
232 1HD2 ASN 31 HD22 ASN 31 -7.023 9.811 -0.083
233 2HD2 ASN 31 HD21 ASN 31 -7.278 10.233 -1.744
234 H GLY 32 HN GLY 32 -3.084 10.090 -1.004
235 1HA GLY 32 HA1 GLY 32 -0.474 9.588 -1.799
236 2HA GLY 32 HA2 GLY 32 -0.572 11.175 -0.903
237 H LYS 33 HN LYS 33 -2.302 8.004 -0.732
238 HA LYS 33 HA LYS 33 -1.229 7.344 1.841
239 1HB LYS 33 HB2 LYS 33 -4.200 8.059 1.587
240 2HB LYS 33 HB3 LYS 33 -3.595 6.875 2.805
241 1HG LYS 33 HG2 LYS 33 -1.942 8.630 3.604
242 2HG LYS 33 HG3 LYS 33 -2.865 9.840 2.655
243 1HD LYS 33 HD2 LYS 33 -4.047 8.034 4.860
244 2HD LYS 33 HD3 LYS 33 -3.539 9.747 5.070
245 1HE LYS 33 HE2 LYS 33 -5.262 10.477 3.379
246 2HE LYS 33 HE3 LYS 33 -5.812 8.762 3.205
247 1HZ LYS 33 HZ2 LYS 33 -5.841 10.366 5.706
248 2HZ LYS 33 HZ3 LYS 33 -7.174 9.992 4.722
249 3HZ LYS 33 HZ1 LYS 33 -6.351 8.754 5.543
250 H CYS 34 HN CYS 34 -1.695 5.149 2.315
251 HA CYS 34 HA CYS 34 -1.664 3.628 -0.168
252 1HB CYS 34 HB2 CYS 34 0.397 3.838 1.161
253 2HB CYS 34 HB3 CYS 34 -0.432 3.244 2.621
254 H LYS 35 HN LYS 35 -2.754 1.764 -0.454
255 HA LYS 35 HA LYS 35 -4.602 0.741 1.606
256 1HB LYS 35 HB2 LYS 35 -4.850 0.738 -1.467
257 2HB LYS 35 HB3 LYS 35 -5.985 -0.089 -0.344
258 1HG LYS 35 HG2 LYS 35 -6.658 2.074 0.596
259 2HG LYS 35 HG3 LYS 35 -5.428 2.929 -0.390
260 1HD LYS 35 HD2 LYS 35 -7.343 3.333 -1.622
261 2HD LYS 35 HD3 LYS 35 -6.578 1.914 -2.468
262 1HE LYS 35 HE2 LYS 35 -8.266 0.459 -1.099
263 2HE LYS 35 HE3 LYS 35 -9.105 2.010 -0.716
264 1HZ LYS 35 HZ1 LYS 35 -9.317 2.427 -3.064
265 2HZ LYS 35 HZ2 LYS 35 -8.538 0.964 -3.432
266 3HZ LYS 35 HZ3 LYS 35 -10.035 0.949 -2.630
267 H CYS 36 HN CYS 36 -4.575 -1.505 1.787
268 HA CYS 36 HA CYS 36 -2.541 -2.972 0.176
269 1HB CYS 36 HB2 CYS 36 -3.030 -3.509 3.143
270 2HB CYS 36 HB3 CYS 36 -1.931 -4.421 1.951
271 H TYR 37 HN TYR 37 -3.252 -4.582 -0.907
272 HA TYR 37 HA TYR 37 -5.749 -5.955 -0.234
273 1HB TYR 37 HB2 TYR 37 -4.528 -4.828 -2.846
274 2HB TYR 37 HB3 TYR 37 -5.735 -6.153 -2.892
275 HD1 TYR 37 HD2 TYR 37 -7.963 -5.827 -1.837
276 HD2 TYR 37 HD1 TYR 37 -5.281 -2.489 -2.391
277 HE1 TYR 37 HE2 TYR 37 -9.835 -4.254 -1.544
278 HE2 TYR 37 HE1 TYR 37 -7.130 -0.943 -2.133
279 HH TYR 37 HH TYR 37 -9.384 -0.715 -1.751
280 H ASN 38 HN ASN 38 -5.361 -7.985 -2.129
281 HA ASN 38 HA ASN 38 -2.760 -9.241 -1.499
282 1HB ASN 38 HB2 ASN 38 -5.584 -10.489 -1.339
283 2HB ASN 38 HB3 ASN 38 -4.091 -11.484 -1.518
284 1HD2 ASN 38 HD22 ASN 38 -3.069 -11.278 1.835
285 2HD2 ASN 38 HD21 ASN 38 -2.747 -11.838 0.228
286 H ASN 39 HN ASN 39 -1.762 -9.818 -3.376
287 HA ASN 39 HA ASN 39 -3.382 -10.280 -5.824
288 1HB ASN 39 HB2 ASN 39 -0.431 -9.445 -5.510
289 2HB ASN 39 HB3 ASN 39 -1.174 -10.019 -7.047
290 1HD2 ASN 39 HD22 ASN 39 -3.434 -6.825 -6.658
291 2HD2 ASN 39 HD21 ASN 39 -3.796 -8.448 -6.171
292 1H NH2 40 HT1 ASN 39 -3.893 -12.433 -5.068
293 2H NH2 40 HT2 ASN 39 -2.680 -13.668 -5.013
No H/Q in entry = 293
Start of MODEL 35
1 1H THR 1 HN3 THR 1 -8.801 -3.529 2.231
2 2H THR 1 HN2 THR 1 -7.279 -4.232 2.508
3 3H THR 1 HN THR 1 -8.633 -4.759 3.390
4 HA THR 1 HA THR 1 -8.852 -2.642 4.403
5 HB THR 1 HB THR 1 -6.854 -2.684 5.911
6 HG1 THR 1 HG1 THR 1 -5.305 -3.209 4.317
7 1HG2 THR 1 HG21 THR 1 -8.785 -4.260 6.191
8 2HG2 THR 1 HG22 THR 1 -7.950 -5.476 5.152
9 3HG2 THR 1 HG23 THR 1 -7.225 -4.985 6.726
10 H ILE 2 HN ILE 2 -7.744 -0.543 5.049
11 HA ILE 2 HA ILE 2 -6.071 0.628 2.962
12 HB ILE 2 HB ILE 2 -8.427 1.951 4.411
13 1HG1 ILE 2 HG12 ILE 2 -8.083 0.868 1.551
14 2HG1 ILE 2 HG13 ILE 2 -9.372 0.543 2.743
15 1HG2 ILE 2 HG22 ILE 2 -6.349 3.037 2.399
16 2HG2 ILE 2 HG23 ILE 2 -7.802 3.939 2.979
17 3HG2 ILE 2 HG21 ILE 2 -6.518 3.505 4.130
18 1HD1 ILE 2 HD12 ILE 2 -10.072 3.028 2.522
19 2HD1 ILE 2 HD13 ILE 2 -8.915 3.126 1.125
20 3HD1 ILE 2 HD11 ILE 2 -10.311 1.998 1.061
21 H ILE 3 HN ILE 3 -4.175 1.237 3.861
22 HA ILE 3 HA ILE 3 -3.931 1.527 6.783
23 HB ILE 3 HB ILE 3 -1.634 1.097 6.630
24 1HG1 ILE 3 HG12 ILE 3 -2.049 0.331 3.671
25 2HG1 ILE 3 HG13 ILE 3 -1.286 1.872 4.190
26 1HG2 ILE 3 HG22 ILE 3 -3.399 -0.651 7.055
27 2HG2 ILE 3 HG23 ILE 3 -3.362 -1.090 5.304
28 3HG2 ILE 3 HG21 ILE 3 -1.900 -1.319 6.326
29 1HD1 ILE 3 HD13 ILE 3 0.395 0.622 5.534
30 2HD1 ILE 3 HD11 ILE 3 -0.271 -0.940 4.934
31 3HD1 ILE 3 HD12 ILE 3 0.481 0.200 3.770
32 H ASN 4 HN ASN 4 -1.657 3.091 6.969
33 HA ASN 4 HA ASN 4 -2.319 5.622 5.594
34 1HB ASN 4 HB2 ASN 4 -1.789 5.280 8.619
35 2HB ASN 4 HB3 ASN 4 -1.953 6.852 7.745
36 1HD2 ASN 4 HD22 ASN 4 -5.262 4.996 9.149
37 2HD2 ASN 4 HD21 ASN 4 -3.641 4.598 9.613
38 H VAL 5 HN VAL 5 -0.563 5.057 4.186
39 HA VAL 5 HA VAL 5 2.020 5.883 5.293
40 HB VAL 5 HB VAL 5 1.480 3.470 3.490
41 1HG1 VAL 5 HG11 VAL 5 4.092 5.119 3.633
42 2HG1 VAL 5 HG12 VAL 5 4.003 3.417 3.057
43 3HG1 VAL 5 HG13 VAL 5 3.132 4.674 2.157
44 1HG2 VAL 5 HG22 VAL 5 3.194 3.957 6.011
45 2HG2 VAL 5 HG23 VAL 5 1.660 3.009 5.906
46 3HG2 VAL 5 HG21 VAL 5 3.143 2.418 5.082
47 H LYS 6 HN LYS 6 2.646 7.673 4.317
48 HA LYS 6 HA LYS 6 1.100 8.859 2.270
49 1HB LYS 6 HB2 LYS 6 3.759 9.718 3.561
50 2HB LYS 6 HB3 LYS 6 2.764 10.764 2.486
51 1HG LYS 6 HG2 LYS 6 1.818 9.652 5.202
52 2HG LYS 6 HG3 LYS 6 2.560 11.260 4.912
53 1HD LYS 6 HD2 LYS 6 0.718 11.770 3.249
54 2HD LYS 6 HD3 LYS 6 -0.106 10.252 3.762
55 1HE LYS 6 HE2 LYS 6 -0.300 11.120 6.101
56 2HE LYS 6 HE3 LYS 6 0.629 12.606 5.641
57 1HZ LYS 6 HZ3 LYS 6 -1.112 13.152 4.085
58 2HZ LYS 6 HZ1 LYS 6 -1.991 11.765 4.520
59 3HZ LYS 6 HZ2 LYS 6 -1.722 12.993 5.663
60 H CYS 7 HN CYS 7 1.683 9.250 0.049
61 HA CYS 7 HA CYS 7 4.085 7.901 -0.978
62 1HB CYS 7 HB2 CYS 7 2.959 6.285 -2.228
63 2HB CYS 7 HB3 CYS 7 2.155 6.254 -0.603
64 H THR 8 HN THR 8 3.987 7.945 -3.425
65 HA THR 8 HA THR 8 2.486 10.049 -4.660
66 HB THR 8 HB THR 8 4.504 11.258 -3.836
67 HG1 THR 8 HG1 THR 8 4.402 10.942 -6.632
68 1HG2 THR 8 HG21 THR 8 6.138 9.336 -3.894
69 2HG2 THR 8 HG22 THR 8 6.144 9.402 -5.696
70 3HG2 THR 8 HG23 THR 8 6.741 10.801 -4.741
71 H SER 9 HN SER 9 2.779 7.004 -4.483
72 HA SER 9 HA SER 9 2.614 6.326 -7.162
73 1HB SER 9 HB2 SER 9 4.684 4.855 -7.402
74 2HB SER 9 HB3 SER 9 5.078 6.600 -7.269
75 HG SER 9 HG SER 9 5.218 4.760 -5.158
76 HA PRO 10 HA PRO 10 1.116 2.641 -4.887
77 1HB PRO 10 HB2 PRO 10 1.544 1.232 -7.564
78 2HB PRO 10 HB3 PRO 10 0.148 1.172 -6.420
79 1HG PRO 10 HG2 PRO 10 0.054 2.704 -8.696
80 2HG PRO 10 HG3 PRO 10 -0.573 3.385 -7.135
81 1HD PRO 10 HD2 PRO 10 2.208 3.810 -8.394
82 2HD PRO 10 HD3 PRO 10 1.024 5.052 -7.767
83 H LYS 11 HN LYS 11 4.269 2.631 -6.608
84 HA LYS 11 HA LYS 11 5.296 0.293 -5.386
85 1HB LYS 11 HB2 LYS 11 6.064 1.168 -7.553
86 2HB LYS 11 HB3 LYS 11 6.720 2.629 -6.760
87 1HG LYS 11 HG2 LYS 11 8.470 0.972 -7.371
88 2HG LYS 11 HG3 LYS 11 8.441 1.284 -5.610
89 1HD LYS 11 HD2 LYS 11 7.154 -0.883 -5.278
90 2HD LYS 11 HD3 LYS 11 7.231 -1.165 -7.052
91 1HE LYS 11 HE2 LYS 11 8.961 -2.495 -5.888
92 2HE LYS 11 HE3 LYS 11 9.771 -1.216 -6.885
93 1HZ LYS 11 HZ3 LYS 11 9.230 -1.096 -3.961
94 2HZ LYS 11 HZ1 LYS 11 10.727 -1.409 -4.701
95 3HZ LYS 11 HZ2 LYS 11 9.987 0.110 -4.888
96 H GLN 12 HN GLN 12 4.831 3.537 -4.094
97 HA GLN 12 HA GLN 12 6.759 3.295 -1.972
98 1HB GLN 12 HB2 GLN 12 6.480 5.435 -3.113
99 2HB GLN 12 HB3 GLN 12 4.753 5.387 -2.890
100 1HG GLN 12 HG2 GLN 12 5.881 7.029 -1.439
101 2HG GLN 12 HG3 GLN 12 5.115 5.779 -0.398
102 1HE2 GLN 12 HE22 GLN 12 8.247 6.103 1.308
103 2HE2 GLN 12 HE21 GLN 12 6.602 6.656 1.212
104 H CYS 13 HN CYS 13 3.780 1.990 -2.729
105 HA CYS 13 HA CYS 13 2.818 1.797 0.039
106 1HB CYS 13 HB2 CYS 13 1.277 2.984 -1.545
107 2HB CYS 13 HB3 CYS 13 1.366 1.642 -2.696
108 H SER 14 HN SER 14 4.370 0.081 -2.645
109 HA SER 14 HA SER 14 3.482 -2.551 -1.852
110 1HB SER 14 HB2 SER 14 5.639 -1.630 -3.856
111 2HB SER 14 HB3 SER 14 5.065 -3.330 -3.629
112 HG SER 14 HG SER 14 3.504 -1.123 -4.429
113 H LYS 15 HN LYS 15 5.636 -0.262 -0.615
114 HA LYS 15 HA LYS 15 7.661 -1.934 0.436
115 1HB LYS 15 HB2 LYS 15 6.786 0.975 0.576
116 2HB LYS 15 HB3 LYS 15 8.025 0.349 1.695
117 1HG LYS 15 HG2 LYS 15 9.387 -0.363 -0.316
118 2HG LYS 15 HG3 LYS 15 8.060 0.235 -1.379
119 1HD LYS 15 HD2 LYS 15 8.361 2.545 -0.379
120 2HD LYS 15 HD3 LYS 15 9.815 1.944 0.489
121 1HE LYS 15 HE2 LYS 15 9.409 1.987 -2.591
122 2HE LYS 15 HE3 LYS 15 10.423 3.143 -1.635
123 1HZ LYS 15 HZ3 LYS 15 10.841 0.206 -1.849
124 2HZ LYS 15 HZ1 LYS 15 11.724 1.417 -2.649
125 3HZ LYS 15 HZ2 LYS 15 11.794 1.293 -0.957
126 HA PRO 16 HA PRO 16 5.104 -1.625 4.506
127 1HB PRO 16 HB2 PRO 16 2.579 -0.454 4.521
128 2HB PRO 16 HB3 PRO 16 4.131 0.427 4.824
129 1HG PRO 16 HG2 PRO 16 2.600 -0.038 2.255
130 2HG PRO 16 HG3 PRO 16 3.051 1.582 2.916
131 1HD PRO 16 HD2 PRO 16 4.646 0.458 1.047
132 2HD PRO 16 HD3 PRO 16 5.453 1.115 2.498
133 H CYS 17 HN CYS 17 2.836 -2.097 1.656
134 HA CYS 17 HA CYS 17 1.302 -4.054 2.828
135 1HB CYS 17 HB2 CYS 17 1.677 -3.529 -0.169
136 2HB CYS 17 HB3 CYS 17 0.357 -4.496 0.579
137 H LYS 18 HN LYS 18 4.412 -4.395 0.974
138 HA LYS 18 HA LYS 18 4.177 -7.306 0.920
139 1HB LYS 18 HB2 LYS 18 6.354 -5.434 -0.093
140 2HB LYS 18 HB3 LYS 18 6.460 -7.237 -0.128
141 1HG LYS 18 HG2 LYS 18 4.160 -7.186 -1.277
142 2HG LYS 18 HG3 LYS 18 4.473 -5.448 -1.583
143 1HD LYS 18 HD2 LYS 18 6.214 -7.863 -2.493
144 2HD LYS 18 HD3 LYS 18 5.024 -6.984 -3.503
145 1HE LYS 18 HE2 LYS 18 7.185 -6.206 -4.189
146 2HE LYS 18 HE3 LYS 18 6.448 -4.859 -3.239
147 1HZ LYS 18 HZ1 LYS 18 8.461 -6.818 -2.263
148 2HZ LYS 18 HZ2 LYS 18 8.745 -5.202 -2.703
149 3HZ LYS 18 HZ3 LYS 18 7.775 -5.558 -1.354
150 H GLU 19 HN GLU 19 5.236 -4.888 3.098
151 HA GLU 19 HA GLU 19 6.866 -6.707 4.694
152 1HB GLU 19 HB2 GLU 19 7.327 -4.242 4.537
153 2HB GLU 19 HB3 GLU 19 5.821 -3.921 5.429
154 1HG GLU 19 HG2 GLU 19 7.778 -3.768 6.914
155 2HG GLU 19 HG3 GLU 19 6.745 -5.140 7.435
156 H LEU 20 HN LEU 20 3.514 -5.900 4.312
157 HA LEU 20 HA LEU 20 2.611 -7.020 6.850
158 1HB LEU 20 HB2 LEU 20 1.252 -5.609 4.488
159 2HB LEU 20 HB3 LEU 20 0.281 -6.388 5.813
160 HG LEU 20 HG LEU 20 2.145 -4.008 6.049
161 1HD1 LEU 20 HD11 LEU 20 -0.042 -3.558 5.001
162 2HD1 LEU 20 HD12 LEU 20 -0.891 -4.280 6.418
163 3HD1 LEU 20 HD13 LEU 20 0.084 -2.774 6.620
164 1HD2 LEU 20 HD22 LEU 20 0.598 -5.462 8.292
165 2HD2 LEU 20 HD23 LEU 20 2.393 -5.310 8.151
166 3HD2 LEU 20 HD21 LEU 20 1.390 -3.850 8.448
167 H TYR 21 HN TYR 21 1.732 -7.463 3.371
168 HA TYR 21 HA TYR 21 0.521 -10.023 3.946
169 1HB TYR 21 HB2 TYR 21 0.283 -8.074 1.579
170 2HB TYR 21 HB3 TYR 21 -0.567 -9.661 1.664
171 HD1 TYR 21 HD1 TYR 21 -0.418 -6.227 3.177
172 HD2 TYR 21 HD2 TYR 21 -2.293 -10.099 3.234
173 HE1 TYR 21 HE1 TYR 21 -2.245 -5.327 4.556
174 HE2 TYR 21 HE2 TYR 21 -4.136 -9.191 4.597
175 HH TYR 21 HH TYR 21 -4.183 -5.747 5.620
176 H GLY 22 HN GLY 22 3.542 -8.940 2.709
177 1HA GLY 22 HA1 GLY 22 5.225 -10.372 2.551
178 2HA GLY 22 HA2 GLY 22 4.148 -11.720 2.074
179 H SER 23 HN SER 23 3.224 -11.606 -0.132
180 HA SER 23 HA SER 23 4.755 -10.213 -2.166
181 1HB SER 23 HB2 SER 23 4.699 -13.304 -1.967
182 2HB SER 23 HB3 SER 23 5.250 -12.373 -3.415
183 HG SER 23 HG SER 23 6.931 -13.043 -2.103
184 H SER 24 HN SER 24 1.970 -11.521 -0.764
185 HA SER 24 HA SER 24 0.391 -11.464 -3.250
186 1HB SER 24 HB2 SER 24 0.316 -13.590 -1.884
187 2HB SER 24 HB3 SER 24 -0.335 -12.662 -0.495
188 HG SER 24 HG SER 24 -2.077 -12.081 -1.899
189 H ALA 25 HN ALA 25 0.959 -9.037 -3.002
190 HA ALA 25 HA ALA 25 -0.813 -7.648 -1.099
191 1HB ALA 25 HB2 ALA 25 2.017 -6.885 -2.084
192 2HB ALA 25 HB3 ALA 25 0.953 -5.830 -1.092
193 3HB ALA 25 HB1 ALA 25 1.566 -7.384 -0.419
194 H GLY 26 HN GLY 26 -2.336 -6.490 -2.133
195 1HA GLY 26 HA1 GLY 26 -1.904 -5.584 -4.907
196 2HA GLY 26 HA2 GLY 26 -3.449 -5.808 -3.998
197 H ALA 27 HN ALA 27 -0.510 -3.840 -4.341
198 HA ALA 27 HA ALA 27 -1.330 -1.955 -2.298
199 1HB ALA 27 HB3 ALA 27 1.173 -2.172 -4.061
200 2HB ALA 27 HB1 ALA 27 0.914 -0.929 -2.776
201 3HB ALA 27 HB2 ALA 27 1.005 -2.669 -2.343
202 H LYS 28 HN LYS 28 -2.617 -0.252 -2.795
203 HA LYS 28 HA LYS 28 -2.681 0.864 -5.526
204 1HB LYS 28 HB2 LYS 28 -5.018 0.793 -3.501
205 2HB LYS 28 HB3 LYS 28 -5.111 1.181 -5.262
206 1HG LYS 28 HG2 LYS 28 -4.537 -1.553 -3.982
207 2HG LYS 28 HG3 LYS 28 -6.141 -0.958 -4.509
208 1HD LYS 28 HD2 LYS 28 -5.410 -0.888 -6.870
209 2HD LYS 28 HD3 LYS 28 -3.729 -1.315 -6.404
210 1HE LYS 28 HE2 LYS 28 -4.929 -3.305 -7.314
211 2HE LYS 28 HE3 LYS 28 -4.480 -3.554 -5.578
212 1HZ LYS 28 HZ2 LYS 28 -6.726 -2.965 -4.969
213 2HZ LYS 28 HZ3 LYS 28 -7.150 -2.737 -6.598
214 3HZ LYS 28 HZ1 LYS 28 -6.701 -4.279 -6.044
215 H CYS 29 HN CYS 29 -2.602 3.207 -5.424
216 HA CYS 29 HA CYS 29 -2.536 4.342 -2.701
217 1HB CYS 29 HB2 CYS 29 -0.159 3.794 -3.941
218 2HB CYS 29 HB3 CYS 29 -0.400 5.465 -4.495
219 H MET 30 HN MET 30 -4.077 5.719 -2.580
220 HA MET 30 HA MET 30 -5.054 7.125 -4.962
221 1HB MET 30 HB2 MET 30 -6.469 6.437 -2.320
222 2HB MET 30 HB3 MET 30 -7.205 7.291 -3.724
223 1HG MET 30 HG2 MET 30 -6.170 4.398 -3.623
224 2HG MET 30 HG3 MET 30 -7.873 4.936 -3.591
225 1HE MET 30 HE1 MET 30 -6.765 2.699 -5.343
226 2HE MET 30 HE2 MET 30 -8.475 3.246 -5.389
227 3HE MET 30 HE3 MET 30 -7.569 3.002 -6.922
228 H ASN 31 HN ASN 31 -4.398 9.389 -4.914
229 HA ASN 31 HA ASN 31 -4.125 11.418 -4.273
230 1HB ASN 31 HB2 ASN 31 -5.060 10.756 -1.427
231 2HB ASN 31 HB3 ASN 31 -4.773 12.399 -2.103
232 1HD2 ASN 31 HD22 ASN 31 -7.647 12.300 -4.346
233 2HD2 ASN 31 HD21 ASN 31 -5.995 12.818 -4.293
234 H GLY 32 HN GLY 32 -3.183 10.195 -1.089
235 1HA GLY 32 HA1 GLY 32 -0.476 9.730 -1.748
236 2HA GLY 32 HA2 GLY 32 -0.738 11.272 -0.819
237 H LYS 33 HN LYS 33 -2.486 8.089 -0.758
238 HA LYS 33 HA LYS 33 -1.279 7.325 1.731
239 1HB LYS 33 HB2 LYS 33 -4.263 8.007 1.683
240 2HB LYS 33 HB3 LYS 33 -3.568 6.787 2.808
241 1HG LYS 33 HG2 LYS 33 -1.863 8.567 3.543
242 2HG LYS 33 HG3 LYS 33 -2.969 9.768 2.792
243 1HD LYS 33 HD2 LYS 33 -4.859 8.925 4.211
244 2HD LYS 33 HD3 LYS 33 -3.766 7.684 4.924
245 1HE LYS 33 HE2 LYS 33 -2.319 9.511 5.892
246 2HE LYS 33 HE3 LYS 33 -3.453 10.750 5.209
247 1HZ LYS 33 HZ1 LYS 33 -4.146 8.634 7.178
248 2HZ LYS 33 HZ2 LYS 33 -3.894 10.280 7.508
249 3HZ LYS 33 HZ3 LYS 33 -5.205 9.799 6.542
250 H CYS 34 HN CYS 34 -1.779 5.121 2.237
251 HA CYS 34 HA CYS 34 -1.737 3.605 -0.250
252 1HB CYS 34 HB2 CYS 34 0.316 3.849 1.072
253 2HB CYS 34 HB3 CYS 34 -0.515 3.300 2.548
254 H LYS 35 HN LYS 35 -2.594 1.509 -0.389
255 HA LYS 35 HA LYS 35 -4.592 0.615 1.554
256 1HB LYS 35 HB2 LYS 35 -4.794 0.683 -1.526
257 2HB LYS 35 HB3 LYS 35 -5.960 -0.170 -0.457
258 1HG LYS 35 HG2 LYS 35 -6.654 1.966 0.523
259 2HG LYS 35 HG3 LYS 35 -5.386 2.843 -0.394
260 1HD LYS 35 HD2 LYS 35 -7.178 3.303 -1.742
261 2HD LYS 35 HD3 LYS 35 -6.480 1.806 -2.532
262 1HE LYS 35 HE2 LYS 35 -8.280 0.505 -1.229
263 2HE LYS 35 HE3 LYS 35 -9.038 2.096 -0.841
264 1HZ LYS 35 HZ2 LYS 35 -8.486 1.046 -3.561
265 2HZ LYS 35 HZ3 LYS 35 -9.995 1.108 -2.785
266 3HZ LYS 35 HZ1 LYS 35 -9.189 2.546 -3.189
267 H CYS 36 HN CYS 36 -4.552 -1.584 1.789
268 HA CYS 36 HA CYS 36 -2.612 -3.152 0.156
269 1HB CYS 36 HB2 CYS 36 -2.995 -3.559 3.171
270 2HB CYS 36 HB3 CYS 36 -1.896 -4.477 1.985
271 H TYR 37 HN TYR 37 -3.560 -4.773 -0.868
272 HA TYR 37 HA TYR 37 -5.973 -6.040 0.205
273 1HB TYR 37 HB2 TYR 37 -5.102 -5.194 -2.647
274 2HB TYR 37 HB3 TYR 37 -6.401 -6.376 -2.350
275 HD1 TYR 37 HD2 TYR 37 -8.320 -5.726 -0.857
276 HD2 TYR 37 HD1 TYR 37 -5.630 -2.742 -2.465
277 HE1 TYR 37 HE2 TYR 37 -10.005 -3.970 -0.484
278 HE2 TYR 37 HE1 TYR 37 -7.296 -1.049 -2.167
279 HH TYR 37 HH TYR 37 -9.458 -0.578 -1.426
280 H ASN 38 HN ASN 38 -5.905 -8.153 -1.640
281 HA ASN 38 HA ASN 38 -3.313 -9.508 -1.220
282 1HB ASN 38 HB2 ASN 38 -6.162 -10.586 -0.731
283 2HB ASN 38 HB3 ASN 38 -4.756 -11.677 -1.025
284 1HD2 ASN 38 HD22 ASN 38 -3.203 -11.234 2.119
285 2HD2 ASN 38 HD21 ASN 38 -3.029 -11.784 0.486
286 H ASN 39 HN ASN 39 -2.660 -9.014 -3.332
287 HA ASN 39 HA ASN 39 -4.035 -10.554 -5.424
288 1HB ASN 39 HB2 ASN 39 -2.999 -7.672 -5.766
289 2HB ASN 39 HB3 ASN 39 -3.412 -8.791 -7.117
290 1HD2 ASN 39 HD21 ASN 39 -6.363 -6.608 -5.384
291 2HD2 ASN 39 HD22 ASN 39 -4.671 -6.318 -5.142
292 1H NH2 40 HT1 ASN 39 -0.047 -9.777 -5.978
293 2H NH2 40 HT2 ASN 39 -1.217 -8.504 -6.049
No H/Q in entry = 293
Start of MODEL 36
1 1H THR 1 HN3 THR 1 -8.590 -3.597 2.385
2 2H THR 1 HN2 THR 1 -7.041 -4.221 2.695
3 3H THR 1 HN THR 1 -8.382 -4.809 3.559
4 HA THR 1 HA THR 1 -8.723 -2.699 4.548
5 HB THR 1 HB THR 1 -6.759 -2.627 6.095
6 HG1 THR 1 HG1 THR 1 -5.150 -3.081 4.539
7 1HG2 THR 1 HG23 THR 1 -8.611 -4.299 6.344
8 2HG2 THR 1 HG21 THR 1 -7.689 -5.477 5.336
9 3HG2 THR 1 HG22 THR 1 -7.027 -4.935 6.920
10 H ILE 2 HN ILE 2 -7.705 -0.573 5.231
11 HA ILE 2 HA ILE 2 -6.185 0.756 3.110
12 HB ILE 2 HB ILE 2 -8.460 1.891 4.838
13 1HG1 ILE 2 HG12 ILE 2 -8.384 1.145 1.849
14 2HG1 ILE 2 HG13 ILE 2 -9.385 0.404 3.127
15 1HG2 ILE 2 HG22 ILE 2 -6.639 3.162 2.679
16 2HG2 ILE 2 HG23 ILE 2 -8.074 3.962 3.424
17 3HG2 ILE 2 HG21 ILE 2 -6.661 3.558 4.432
18 1HD1 ILE 2 HD11 ILE 2 -10.571 2.614 3.472
19 2HD1 ILE 2 HD12 ILE 2 -9.656 3.284 2.066
20 3HD1 ILE 2 HD13 ILE 2 -10.786 1.907 1.828
21 H ILE 3 HN ILE 3 -4.215 1.256 3.943
22 HA ILE 3 HA ILE 3 -3.858 1.543 6.857
23 HB ILE 3 HB ILE 3 -1.586 1.084 6.646
24 1HG1 ILE 3 HG12 ILE 3 -2.053 0.320 3.696
25 2HG1 ILE 3 HG13 ILE 3 -1.284 1.865 4.196
26 1HG2 ILE 3 HG23 ILE 3 -3.357 -0.658 7.092
27 2HG2 ILE 3 HG21 ILE 3 -3.356 -1.085 5.338
28 3HG2 ILE 3 HG22 ILE 3 -1.879 -1.333 6.328
29 1HD1 ILE 3 HD13 ILE 3 0.429 0.634 5.508
30 2HD1 ILE 3 HD11 ILE 3 -0.249 -0.940 4.950
31 3HD1 ILE 3 HD12 ILE 3 0.471 0.178 3.750
32 H ASN 4 HN ASN 4 -1.568 3.091 6.951
33 HA ASN 4 HA ASN 4 -2.225 5.587 5.547
34 1HB ASN 4 HB2 ASN 4 -1.960 6.907 7.658
35 2HB ASN 4 HB3 ASN 4 -3.435 5.909 7.568
36 1HD2 ASN 4 HD22 ASN 4 -0.921 5.459 10.731
37 2HD2 ASN 4 HD21 ASN 4 -0.733 6.696 9.532
38 H VAL 5 HN VAL 5 -0.486 4.854 4.204
39 HA VAL 5 HA VAL 5 2.082 5.818 5.246
40 HB VAL 5 HB VAL 5 1.563 3.351 3.522
41 1HG1 VAL 5 HG12 VAL 5 4.149 5.048 3.626
42 2HG1 VAL 5 HG13 VAL 5 4.095 3.327 3.106
43 3HG1 VAL 5 HG11 VAL 5 3.202 4.539 2.160
44 1HG2 VAL 5 HG22 VAL 5 3.255 3.954 6.038
45 2HG2 VAL 5 HG23 VAL 5 1.737 2.979 5.957
46 3HG2 VAL 5 HG21 VAL 5 3.237 2.382 5.169
47 H LYS 6 HN LYS 6 2.759 7.528 4.205
48 HA LYS 6 HA LYS 6 1.000 8.646 2.246
49 1HB LYS 6 HB2 LYS 6 3.484 9.983 3.442
50 2HB LYS 6 HB3 LYS 6 2.036 10.751 2.699
51 1HG LYS 6 HG2 LYS 6 2.232 9.224 5.370
52 2HG LYS 6 HG3 LYS 6 2.067 10.993 5.149
53 1HD LYS 6 HD2 LYS 6 -0.230 10.717 4.266
54 2HD LYS 6 HD3 LYS 6 -0.069 8.926 4.323
55 1HE LYS 6 HE2 LYS 6 0.259 9.032 6.827
56 2HE LYS 6 HE3 LYS 6 -0.049 10.816 6.767
57 1HZ LYS 6 HZ1 LYS 6 -1.914 8.668 5.896
58 2HZ LYS 6 HZ2 LYS 6 -2.007 9.572 7.331
59 3HZ LYS 6 HZ3 LYS 6 -2.214 10.338 5.829
60 H CYS 7 HN CYS 7 1.535 8.938 0.009
61 HA CYS 7 HA CYS 7 4.096 7.758 -0.923
62 1HB CYS 7 HB2 CYS 7 2.992 6.219 -2.269
63 2HB CYS 7 HB3 CYS 7 2.163 6.148 -0.657
64 H THR 8 HN THR 8 3.933 7.904 -3.486
65 HA THR 8 HA THR 8 2.416 10.047 -4.563
66 HB THR 8 HB THR 8 4.437 11.274 -3.783
67 HG1 THR 8 HG1 THR 8 3.378 11.908 -5.646
68 1HG2 THR 8 HG21 THR 8 6.098 9.383 -3.902
69 2HG2 THR 8 HG22 THR 8 6.060 9.464 -5.703
70 3HG2 THR 8 HG23 THR 8 6.659 10.863 -4.750
71 H SER 9 HN SER 9 2.623 7.043 -4.476
72 HA SER 9 HA SER 9 2.574 6.341 -7.144
73 1HB SER 9 HB2 SER 9 4.691 4.941 -7.334
74 2HB SER 9 HB3 SER 9 5.059 6.686 -7.119
75 HG SER 9 HG SER 9 6.363 5.415 -5.893
76 HA PRO 10 HA PRO 10 1.085 2.622 -4.906
77 1HB PRO 10 HB2 PRO 10 1.576 1.281 -7.614
78 2HB PRO 10 HB3 PRO 10 0.167 1.149 -6.489
79 1HG PRO 10 HG2 PRO 10 0.045 2.730 -8.724
80 2HG PRO 10 HG3 PRO 10 -0.608 3.363 -7.152
81 1HD PRO 10 HD2 PRO 10 2.168 3.884 -8.389
82 2HD PRO 10 HD3 PRO 10 0.953 5.081 -7.738
83 H LYS 11 HN LYS 11 4.237 2.737 -6.591
84 HA LYS 11 HA LYS 11 5.300 0.389 -5.355
85 1HB LYS 11 HB2 LYS 11 6.716 2.675 -6.820
86 2HB LYS 11 HB3 LYS 11 7.444 1.082 -6.390
87 1HG LYS 11 HG2 LYS 11 5.099 1.550 -8.335
88 2HG LYS 11 HG3 LYS 11 6.808 1.212 -8.760
89 1HD LYS 11 HD2 LYS 11 6.652 -1.022 -7.628
90 2HD LYS 11 HD3 LYS 11 4.920 -0.705 -7.252
91 1HE LYS 11 HE2 LYS 11 4.401 -0.553 -9.708
92 2HE LYS 11 HE3 LYS 11 6.139 -0.888 -10.091
93 1HZ LYS 11 HZ2 LYS 11 4.293 -2.683 -8.604
94 2HZ LYS 11 HZ3 LYS 11 4.788 -2.852 -10.220
95 3HZ LYS 11 HZ1 LYS 11 5.922 -2.997 -8.964
96 H GLN 12 HN GLN 12 4.711 3.548 -4.024
97 HA GLN 12 HA GLN 12 6.724 3.242 -1.949
98 1HB GLN 12 HB2 GLN 12 6.504 5.387 -3.164
99 2HB GLN 12 HB3 GLN 12 4.873 5.555 -2.642
100 1HG GLN 12 HG2 GLN 12 5.688 5.816 -0.246
101 2HG GLN 12 HG3 GLN 12 7.322 5.231 -0.728
102 1HE2 GLN 12 HE22 GLN 12 8.099 8.361 -2.579
103 2HE2 GLN 12 HE21 GLN 12 8.069 6.662 -2.908
104 H CYS 13 HN CYS 13 3.865 1.896 -2.718
105 HA CYS 13 HA CYS 13 2.812 1.787 0.019
106 1HB CYS 13 HB2 CYS 13 1.276 2.971 -1.578
107 2HB CYS 13 HB3 CYS 13 1.371 1.620 -2.722
108 H SER 14 HN SER 14 4.347 0.070 -2.685
109 HA SER 14 HA SER 14 3.530 -2.577 -1.850
110 1HB SER 14 HB2 SER 14 5.640 -1.573 -3.871
111 2HB SER 14 HB3 SER 14 5.178 -3.302 -3.618
112 HG SER 14 HG SER 14 3.470 -1.202 -4.422
113 H LYS 15 HN LYS 15 5.514 -0.237 -0.489
114 HA LYS 15 HA LYS 15 7.649 -1.831 0.496
115 1HB LYS 15 HB2 LYS 15 6.655 1.039 0.672
116 2HB LYS 15 HB3 LYS 15 7.897 0.443 1.805
117 1HG LYS 15 HG2 LYS 15 9.329 -0.154 -0.201
118 2HG LYS 15 HG3 LYS 15 8.002 0.431 -1.273
119 1HD LYS 15 HD2 LYS 15 8.178 2.711 -0.191
120 2HD LYS 15 HD3 LYS 15 9.609 2.139 0.731
121 1HE LYS 15 HE2 LYS 15 9.372 2.273 -2.362
122 2HE LYS 15 HE3 LYS 15 10.265 3.448 -1.313
123 1HZ LYS 15 HZ1 LYS 15 11.693 1.653 -0.608
124 2HZ LYS 15 HZ2 LYS 15 10.855 0.547 -1.588
125 3HZ LYS 15 HZ3 LYS 15 11.717 1.829 -2.297
126 HA PRO 16 HA PRO 16 5.049 -1.718 4.541
127 1HB PRO 16 HB2 PRO 16 2.543 -0.536 4.631
128 2HB PRO 16 HB3 PRO 16 4.097 0.349 4.916
129 1HG PRO 16 HG2 PRO 16 2.512 -0.071 2.369
130 2HG PRO 16 HG3 PRO 16 2.962 1.535 3.056
131 1HD PRO 16 HD2 PRO 16 4.531 0.459 1.137
132 2HD PRO 16 HD3 PRO 16 5.346 1.121 2.585
133 H CYS 17 HN CYS 17 2.840 -2.058 1.637
134 HA CYS 17 HA CYS 17 1.274 -4.056 2.699
135 1HB CYS 17 HB2 CYS 17 1.704 -3.398 -0.267
136 2HB CYS 17 HB3 CYS 17 0.382 -4.419 0.401
137 H LYS 18 HN LYS 18 4.421 -4.296 0.865
138 HA LYS 18 HA LYS 18 4.177 -7.192 0.771
139 1HB LYS 18 HB2 LYS 18 6.391 -5.426 -0.274
140 2HB LYS 18 HB3 LYS 18 6.356 -7.227 -0.360
141 1HG LYS 18 HG2 LYS 18 4.157 -7.144 -1.509
142 2HG LYS 18 HG3 LYS 18 4.233 -5.346 -1.513
143 1HD LYS 18 HD2 LYS 18 6.305 -5.430 -2.914
144 2HD LYS 18 HD3 LYS 18 6.251 -7.231 -2.898
145 1HE LYS 18 HE2 LYS 18 4.049 -7.197 -4.106
146 2HE LYS 18 HE3 LYS 18 4.061 -5.386 -4.089
147 1HZ LYS 18 HZ2 LYS 18 6.079 -5.440 -5.387
148 2HZ LYS 18 HZ3 LYS 18 6.070 -7.139 -5.404
149 3HZ LYS 18 HZ1 LYS 18 4.823 -6.274 -6.168
150 H GLU 19 HN GLU 19 5.128 -4.895 3.046
151 HA GLU 19 HA GLU 19 6.743 -6.768 4.607
152 1HB GLU 19 HB2 GLU 19 7.189 -4.308 4.538
153 2HB GLU 19 HB3 GLU 19 5.665 -4.023 5.425
154 1HG GLU 19 HG2 GLU 19 6.578 -5.342 7.385
155 2HG GLU 19 HG3 GLU 19 8.070 -5.695 6.435
156 H LEU 20 HN LEU 20 3.393 -5.992 4.110
157 HA LEU 20 HA LEU 20 2.436 -7.214 6.600
158 1HB LEU 20 HB2 LEU 20 1.120 -5.556 4.366
159 2HB LEU 20 HB3 LEU 20 0.145 -6.400 5.648
160 HG LEU 20 HG LEU 20 2.062 -4.078 6.002
161 1HD1 LEU 20 HD11 LEU 20 -0.164 -3.537 5.086
162 2HD1 LEU 20 HD12 LEU 20 -0.958 -4.358 6.482
163 3HD1 LEU 20 HD13 LEU 20 0.041 -2.878 6.751
164 1HD2 LEU 20 HD21 LEU 20 0.603 -5.686 8.197
165 2HD2 LEU 20 HD22 LEU 20 2.391 -5.535 7.987
166 3HD2 LEU 20 HD23 LEU 20 1.416 -4.094 8.435
167 H TYR 21 HN TYR 21 1.315 -7.220 3.208
168 HA TYR 21 HA TYR 21 0.448 -10.007 3.340
169 1HB TYR 21 HB2 TYR 21 -0.269 -7.665 1.423
170 2HB TYR 21 HB3 TYR 21 -0.990 -9.314 1.343
171 HD1 TYR 21 HD1 TYR 21 -0.811 -6.161 3.362
172 HD2 TYR 21 HD2 TYR 21 -2.736 -9.960 2.774
173 HE1 TYR 21 HE1 TYR 21 -2.647 -5.454 4.844
174 HE2 TYR 21 HE2 TYR 21 -4.574 -9.263 4.264
175 HH TYR 21 HH TYR 21 -5.417 -7.637 5.564
176 H GLY 22 HN GLY 22 3.267 -9.736 2.987
177 1HA GLY 22 HA1 GLY 22 4.083 -9.303 0.342
178 2HA GLY 22 HA2 GLY 22 5.004 -9.942 1.738
179 H SER 23 HN SER 23 2.813 -10.813 -0.894
180 HA SER 23 HA SER 23 4.245 -12.725 -2.072
181 1HB SER 23 HB2 SER 23 2.891 -14.884 -1.575
182 2HB SER 23 HB3 SER 23 4.047 -14.398 -0.300
183 HG SER 23 HG SER 23 2.312 -13.430 0.803
184 H SER 24 HN SER 24 1.024 -11.817 -0.906
185 HA SER 24 HA SER 24 0.019 -11.488 -3.651
186 1HB SER 24 HB2 SER 24 -0.779 -13.659 -2.598
187 2HB SER 24 HB3 SER 24 -1.459 -12.728 -1.227
188 HG SER 24 HG SER 24 -2.762 -11.657 -2.814
189 H ALA 25 HN ALA 25 0.928 -9.231 -3.081
190 HA ALA 25 HA ALA 25 -0.807 -7.718 -1.225
191 1HB ALA 25 HB1 ALA 25 1.957 -7.025 -2.418
192 2HB ALA 25 HB2 ALA 25 0.994 -5.930 -1.371
193 3HB ALA 25 HB3 ALA 25 1.619 -7.480 -0.717
194 H GLY 26 HN GLY 26 -2.514 -6.662 -2.242
195 1HA GLY 26 HA1 GLY 26 -2.143 -5.637 -4.968
196 2HA GLY 26 HA2 GLY 26 -3.648 -5.846 -3.996
197 H ALA 27 HN ALA 27 -0.643 -3.947 -4.369
198 HA ALA 27 HA ALA 27 -1.394 -2.075 -2.282
199 1HB ALA 27 HB3 ALA 27 1.130 -2.332 -4.033
200 2HB ALA 27 HB1 ALA 27 0.910 -1.161 -2.674
201 3HB ALA 27 HB2 ALA 27 0.929 -2.927 -2.356
202 H LYS 28 HN LYS 28 -2.594 -0.297 -2.754
203 HA LYS 28 HA LYS 28 -2.574 0.850 -5.473
204 1HB LYS 28 HB2 LYS 28 -4.956 0.658 -3.509
205 2HB LYS 28 HB3 LYS 28 -4.997 1.234 -5.231
206 1HG LYS 28 HG2 LYS 28 -4.221 -1.160 -5.833
207 2HG LYS 28 HG3 LYS 28 -4.563 -1.569 -4.103
208 1HD LYS 28 HD2 LYS 28 -6.944 -0.798 -4.423
209 2HD LYS 28 HD3 LYS 28 -6.601 -0.466 -6.154
210 1HE LYS 28 HE2 LYS 28 -6.417 -3.244 -4.781
211 2HE LYS 28 HE3 LYS 28 -7.768 -2.671 -5.840
212 1HZ LYS 28 HZ1 LYS 28 -4.925 -2.992 -6.645
213 2HZ LYS 28 HZ2 LYS 28 -6.208 -4.041 -7.017
214 3HZ LYS 28 HZ3 LYS 28 -6.195 -2.460 -7.639
215 H CYS 29 HN CYS 29 -2.616 3.158 -5.426
216 HA CYS 29 HA CYS 29 -2.576 4.384 -2.757
217 1HB CYS 29 HB2 CYS 29 -0.145 3.743 -3.879
218 2HB CYS 29 HB3 CYS 29 -0.338 5.395 -4.494
219 H MET 30 HN MET 30 -4.108 5.767 -2.786
220 HA MET 30 HA MET 30 -4.790 7.277 -5.211
221 1HB MET 30 HB2 MET 30 -6.467 6.429 -2.778
222 2HB MET 30 HB3 MET 30 -7.069 7.508 -4.077
223 1HG MET 30 HG2 MET 30 -6.193 4.581 -4.334
224 2HG MET 30 HG3 MET 30 -7.861 5.216 -4.367
225 1HE MET 30 HE2 MET 30 -8.929 6.592 -6.240
226 2HE MET 30 HE3 MET 30 -7.641 7.847 -6.242
227 3HE MET 30 HE1 MET 30 -8.143 7.078 -7.781
228 H ASN 31 HN ASN 31 -4.188 9.548 -5.006
229 HA ASN 31 HA ASN 31 -3.993 11.538 -4.231
230 1HB ASN 31 HB2 ASN 31 -4.933 10.685 -1.437
231 2HB ASN 31 HB3 ASN 31 -4.654 12.367 -2.010
232 1HD2 ASN 31 HD22 ASN 31 -8.237 10.617 -2.681
233 2HD2 ASN 31 HD21 ASN 31 -7.045 10.021 -1.575
234 H GLY 32 HN GLY 32 -3.072 10.156 -1.113
235 1HA GLY 32 HA1 GLY 32 -0.406 9.591 -1.785
236 2HA GLY 32 HA2 GLY 32 -0.565 11.146 -0.856
237 H LYS 33 HN LYS 33 -2.452 8.033 -0.780
238 HA LYS 33 HA LYS 33 -1.372 7.301 1.802
239 1HB LYS 33 HB2 LYS 33 -4.375 7.913 1.516
240 2HB LYS 33 HB3 LYS 33 -3.680 6.851 2.788
241 1HG LYS 33 HG2 LYS 33 -3.584 8.667 4.061
242 2HG LYS 33 HG3 LYS 33 -2.082 9.041 3.138
243 1HD LYS 33 HD2 LYS 33 -3.529 10.432 1.537
244 2HD LYS 33 HD3 LYS 33 -4.956 10.078 2.556
245 1HE LYS 33 HE2 LYS 33 -2.412 11.567 3.524
246 2HE LYS 33 HE3 LYS 33 -3.949 12.361 2.989
247 1HZ LYS 33 HZ1 LYS 33 -5.097 11.215 4.756
248 2HZ LYS 33 HZ2 LYS 33 -3.656 10.474 5.266
249 3HZ LYS 33 HZ3 LYS 33 -3.822 12.162 5.360
250 H CYS 34 HN CYS 34 -1.771 5.100 2.232
251 HA CYS 34 HA CYS 34 -1.761 3.582 -0.257
252 1HB CYS 34 HB2 CYS 34 0.319 3.835 1.014
253 2HB CYS 34 HB3 CYS 34 -0.475 3.302 2.515
254 H LYS 35 HN LYS 35 -2.674 1.485 -0.418
255 HA LYS 35 HA LYS 35 -4.552 0.592 1.644
256 1HB LYS 35 HB2 LYS 35 -4.927 0.889 -1.409
257 2HB LYS 35 HB3 LYS 35 -5.958 -0.172 -0.389
258 1HG LYS 35 HG2 LYS 35 -6.547 1.786 1.017
259 2HG LYS 35 HG3 LYS 35 -5.683 2.884 -0.113
260 1HD LYS 35 HD2 LYS 35 -7.982 1.008 -0.924
261 2HD LYS 35 HD3 LYS 35 -8.217 2.724 -0.421
262 1HE LYS 35 HE2 LYS 35 -6.773 3.476 -2.351
263 2HE LYS 35 HE3 LYS 35 -6.600 1.751 -2.873
264 1HZ LYS 35 HZ2 LYS 35 -9.149 3.253 -2.644
265 2HZ LYS 35 HZ3 LYS 35 -8.314 2.884 -4.077
266 3HZ LYS 35 HZ1 LYS 35 -8.976 1.636 -3.133
267 H CYS 36 HN CYS 36 -4.327 -1.564 2.032
268 HA CYS 36 HA CYS 36 -2.566 -3.160 0.248
269 1HB CYS 36 HB2 CYS 36 -2.833 -3.522 3.287
270 2HB CYS 36 HB3 CYS 36 -1.780 -4.462 2.078
271 H TYR 37 HN TYR 37 -3.660 -4.663 -0.799
272 HA TYR 37 HA TYR 37 -6.004 -5.944 0.410
273 1HB TYR 37 HB2 TYR 37 -5.302 -5.038 -2.473
274 2HB TYR 37 HB3 TYR 37 -6.644 -6.138 -2.109
275 HD1 TYR 37 HD1 TYR 37 -8.288 -5.288 -0.176
276 HD2 TYR 37 HD2 TYR 37 -5.755 -2.699 -2.506
277 HE1 TYR 37 HE1 TYR 37 -9.777 -3.383 0.306
278 HE2 TYR 37 HE2 TYR 37 -7.294 -0.841 -2.139
279 HH TYR 37 HH TYR 37 -9.209 -0.141 -1.096
280 H ASN 38 HN ASN 38 -6.103 -7.843 -1.696
281 HA ASN 38 HA ASN 38 -3.535 -9.258 -1.687
282 1HB ASN 38 HB2 ASN 38 -6.348 -10.481 -1.276
283 2HB ASN 38 HB3 ASN 38 -4.876 -11.439 -1.688
284 1HD2 ASN 38 HD22 ASN 38 -5.512 -10.170 2.177
285 2HD2 ASN 38 HD21 ASN 38 -6.607 -9.768 0.897
286 H ASN 39 HN ASN 39 -3.207 -10.442 -3.671
287 HA ASN 39 HA ASN 39 -4.537 -9.317 -5.992
288 1HB ASN 39 HB2 ASN 39 -2.327 -11.445 -5.721
289 2HB ASN 39 HB3 ASN 39 -2.952 -10.785 -7.280
290 1HD2 ASN 39 HD22 ASN 39 0.182 -8.949 -5.790
291 2HD2 ASN 39 HD21 ASN 39 -0.235 -10.628 -5.703
292 1H NH2 40 HT1 ASN 39 -6.419 -10.235 -6.730
293 2H NH2 40 HT2 ASN 39 -6.863 -11.904 -6.588
No H/Q in entry = 293
Start of MODEL 37
1 1H THR 1 HN THR 1 -6.591 -2.464 6.448
2 2H THR 1 HN3 THR 1 -8.261 -2.333 6.165
3 3H THR 1 HN2 THR 1 -7.566 -3.855 6.460
4 HA THR 1 HA THR 1 -6.304 -3.720 4.496
5 HB THR 1 HB THR 1 -8.582 -4.747 4.597
6 HG1 THR 1 HG1 THR 1 -7.257 -4.963 2.804
7 1HG2 THR 1 HG21 THR 1 -9.912 -2.592 4.831
8 2HG2 THR 1 HG22 THR 1 -9.555 -2.213 3.102
9 3HG2 THR 1 HG23 THR 1 -10.506 -3.676 3.524
10 H ILE 2 HN ILE 2 -7.305 -0.645 5.533
11 HA ILE 2 HA ILE 2 -6.051 0.675 3.241
12 HB ILE 2 HB ILE 2 -8.347 1.706 5.014
13 1HG1 ILE 2 HG12 ILE 2 -8.316 0.857 2.050
14 2HG1 ILE 2 HG13 ILE 2 -9.188 0.066 3.395
15 1HG2 ILE 2 HG21 ILE 2 -6.725 3.021 2.729
16 2HG2 ILE 2 HG22 ILE 2 -8.192 3.733 3.498
17 3HG2 ILE 2 HG23 ILE 2 -6.713 3.498 4.464
18 1HD1 ILE 2 HD12 ILE 2 -10.566 2.160 3.726
19 2HD1 ILE 2 HD13 ILE 2 -9.779 2.870 2.262
20 3HD1 ILE 2 HD11 ILE 2 -10.780 1.383 2.114
21 H ILE 3 HN ILE 3 -4.041 1.195 3.999
22 HA ILE 3 HA ILE 3 -3.612 1.483 6.897
23 HB ILE 3 HB ILE 3 -1.363 1.022 6.637
24 1HG1 ILE 3 HG12 ILE 3 -1.816 0.416 3.653
25 2HG1 ILE 3 HG13 ILE 3 -1.089 1.957 4.221
26 1HG2 ILE 3 HG23 ILE 3 -3.124 -0.742 6.985
27 2HG2 ILE 3 HG21 ILE 3 -3.138 -1.059 5.209
28 3HG2 ILE 3 HG22 ILE 3 -1.649 -1.362 6.169
29 1HD1 ILE 3 HD12 ILE 3 0.651 0.724 5.490
30 2HD1 ILE 3 HD13 ILE 3 0.026 -0.845 4.862
31 3HD1 ILE 3 HD11 ILE 3 0.715 0.356 3.716
32 H ASN 4 HN ASN 4 -1.480 2.958 7.234
33 HA ASN 4 HA ASN 4 -2.058 5.606 6.072
34 1HB ASN 4 HB2 ASN 4 -2.920 5.294 8.439
35 2HB ASN 4 HB3 ASN 4 -1.253 4.958 8.983
36 1HD2 ASN 4 HD22 ASN 4 -0.532 8.414 9.398
37 2HD2 ASN 4 HD21 ASN 4 -0.166 6.760 9.761
38 H VAL 5 HN VAL 5 -0.485 4.916 4.442
39 HA VAL 5 HA VAL 5 2.177 5.777 5.255
40 HB VAL 5 HB VAL 5 1.536 3.348 3.493
41 1HG1 VAL 5 HG11 VAL 5 4.149 5.007 3.544
42 2HG1 VAL 5 HG12 VAL 5 4.005 3.346 2.865
43 3HG1 VAL 5 HG13 VAL 5 3.092 4.670 2.110
44 1HG2 VAL 5 HG23 VAL 5 3.389 3.827 5.918
45 2HG2 VAL 5 HG21 VAL 5 1.878 2.838 5.882
46 3HG2 VAL 5 HG22 VAL 5 3.327 2.304 4.966
47 H LYS 6 HN LYS 6 2.679 7.545 4.228
48 HA LYS 6 HA LYS 6 0.828 8.583 2.296
49 1HB LYS 6 HB2 LYS 6 3.215 9.815 3.774
50 2HB LYS 6 HB3 LYS 6 2.320 10.694 2.489
51 1HG LYS 6 HG2 LYS 6 1.554 11.460 4.599
52 2HG LYS 6 HG3 LYS 6 0.228 10.607 3.745
53 1HD LYS 6 HD2 LYS 6 0.474 8.653 5.246
54 2HD LYS 6 HD3 LYS 6 1.931 9.388 6.005
55 1HE LYS 6 HE2 LYS 6 -0.041 9.676 7.483
56 2HE LYS 6 HE3 LYS 6 0.489 11.292 6.866
57 1HZ LYS 6 HZ2 LYS 6 -1.246 11.156 5.204
58 2HZ LYS 6 HZ3 LYS 6 -1.743 9.642 5.794
59 3HZ LYS 6 HZ1 LYS 6 -1.880 11.022 6.774
60 H CYS 7 HN CYS 7 1.430 9.196 0.124
61 HA CYS 7 HA CYS 7 3.900 7.984 -0.957
62 1HB CYS 7 HB2 CYS 7 2.819 6.355 -2.225
63 2HB CYS 7 HB3 CYS 7 2.047 6.268 -0.588
64 H THR 8 HN THR 8 3.639 8.073 -3.491
65 HA THR 8 HA THR 8 1.868 9.994 -4.550
66 HB THR 8 HB THR 8 3.702 11.522 -3.863
67 HG1 THR 8 HG1 THR 8 2.473 11.944 -5.683
68 1HG2 THR 8 HG22 THR 8 5.631 9.919 -4.034
69 2HG2 THR 8 HG23 THR 8 5.503 9.952 -5.833
70 3HG2 THR 8 HG21 THR 8 5.915 11.450 -4.930
71 H SER 9 HN SER 9 2.404 7.069 -4.458
72 HA SER 9 HA SER 9 2.411 6.367 -7.137
73 1HB SER 9 HB2 SER 9 4.633 5.127 -7.295
74 2HB SER 9 HB3 SER 9 4.850 6.899 -7.114
75 HG SER 9 HG SER 9 6.250 5.759 -5.851
76 HA PRO 10 HA PRO 10 1.119 2.570 -4.927
77 1HB PRO 10 HB2 PRO 10 1.640 1.283 -7.649
78 2HB PRO 10 HB3 PRO 10 0.245 1.082 -6.518
79 1HG PRO 10 HG2 PRO 10 0.037 2.684 -8.724
80 2HG PRO 10 HG3 PRO 10 -0.625 3.263 -7.137
81 1HD PRO 10 HD2 PRO 10 2.106 3.931 -8.398
82 2HD PRO 10 HD3 PRO 10 0.846 5.058 -7.709
83 H LYS 11 HN LYS 11 4.282 2.896 -6.551
84 HA LYS 11 HA LYS 11 5.430 0.602 -5.223
85 1HB LYS 11 HB2 LYS 11 6.729 2.818 -6.881
86 2HB LYS 11 HB3 LYS 11 7.549 1.323 -6.308
87 1HG LYS 11 HG2 LYS 11 5.193 1.490 -8.281
88 2HG LYS 11 HG3 LYS 11 6.911 1.170 -8.680
89 1HD LYS 11 HD2 LYS 11 5.097 -0.667 -6.984
90 2HD LYS 11 HD3 LYS 11 5.486 -0.873 -8.724
91 1HE LYS 11 HE2 LYS 11 7.921 -1.168 -8.167
92 2HE LYS 11 HE3 LYS 11 7.539 -0.985 -6.406
93 1HZ LYS 11 HZ3 LYS 11 6.468 -3.082 -8.217
94 2HZ LYS 11 HZ1 LYS 11 7.698 -3.271 -7.061
95 3HZ LYS 11 HZ2 LYS 11 6.116 -2.905 -6.564
96 H GLN 12 HN GLN 12 4.433 3.482 -3.883
97 HA GLN 12 HA GLN 12 6.510 3.444 -1.827
98 1HB GLN 12 HB2 GLN 12 6.342 5.563 -3.084
99 2HB GLN 12 HB3 GLN 12 4.669 5.720 -2.679
100 1HG GLN 12 HG2 GLN 12 5.341 5.989 -0.217
101 2HG GLN 12 HG3 GLN 12 7.033 5.527 -0.645
102 1HE2 GLN 12 HE22 GLN 12 7.061 9.215 -0.342
103 2HE2 GLN 12 HE21 GLN 12 6.881 7.826 0.678
104 H CYS 13 HN CYS 13 4.324 1.616 -2.493
105 HA CYS 13 HA CYS 13 2.871 1.625 0.030
106 1HB CYS 13 HB2 CYS 13 1.402 2.864 -1.644
107 2HB CYS 13 HB3 CYS 13 1.489 1.485 -2.751
108 H SER 14 HN SER 14 4.350 -0.191 -2.733
109 HA SER 14 HA SER 14 3.365 -2.723 -1.768
110 1HB SER 14 HB2 SER 14 4.742 -3.653 -3.644
111 2HB SER 14 HB3 SER 14 3.521 -2.447 -4.161
112 HG SER 14 HG SER 14 6.269 -1.928 -3.732
113 H LYS 15 HN LYS 15 5.620 -0.533 -0.644
114 HA LYS 15 HA LYS 15 7.648 -2.256 0.328
115 1HB LYS 15 HB2 LYS 15 6.861 0.679 0.456
116 2HB LYS 15 HB3 LYS 15 8.092 0.037 1.571
117 1HG LYS 15 HG2 LYS 15 9.427 -0.722 -0.427
118 2HG LYS 15 HG3 LYS 15 8.116 -0.109 -1.505
119 1HD LYS 15 HD2 LYS 15 8.457 2.204 -0.620
120 2HD LYS 15 HD3 LYS 15 9.811 1.620 0.407
121 1HE LYS 15 HE2 LYS 15 9.718 1.506 -2.693
122 2HE LYS 15 HE3 LYS 15 10.626 2.721 -1.706
123 1HZ LYS 15 HZ1 LYS 15 11.064 -0.219 -1.696
124 2HZ LYS 15 HZ2 LYS 15 12.025 0.946 -2.473
125 3HZ LYS 15 HZ3 LYS 15 11.917 0.927 -0.778
126 HA PRO 16 HA PRO 16 5.226 -1.826 4.477
127 1HB PRO 16 HB2 PRO 16 2.758 -0.557 4.570
128 2HB PRO 16 HB3 PRO 16 4.352 0.270 4.798
129 1HG PRO 16 HG2 PRO 16 2.702 -0.167 2.299
130 2HG PRO 16 HG3 PRO 16 3.242 1.442 2.920
131 1HD PRO 16 HD2 PRO 16 4.716 0.233 1.007
132 2HD PRO 16 HD3 PRO 16 5.597 0.893 2.409
133 H CYS 17 HN CYS 17 2.888 -2.224 1.685
134 HA CYS 17 HA CYS 17 1.276 -4.095 2.879
135 1HB CYS 17 HB2 CYS 17 1.669 -3.605 -0.126
136 2HB CYS 17 HB3 CYS 17 0.302 -4.498 0.633
137 H LYS 18 HN LYS 18 4.308 -4.585 0.910
138 HA LYS 18 HA LYS 18 3.944 -7.477 0.926
139 1HB LYS 18 HB2 LYS 18 6.149 -5.765 -0.266
140 2HB LYS 18 HB3 LYS 18 6.088 -7.567 -0.319
141 1HG LYS 18 HG2 LYS 18 3.814 -7.437 -1.355
142 2HG LYS 18 HG3 LYS 18 3.987 -5.649 -1.441
143 1HD LYS 18 HD2 LYS 18 6.007 -5.923 -2.907
144 2HD LYS 18 HD3 LYS 18 5.836 -7.710 -2.822
145 1HE LYS 18 HE2 LYS 18 3.741 -5.763 -4.024
146 2HE LYS 18 HE3 LYS 18 4.910 -6.775 -4.967
147 1HZ LYS 18 HZ1 LYS 18 3.883 -8.733 -4.026
148 2HZ LYS 18 HZ2 LYS 18 2.784 -7.780 -3.148
149 3HZ LYS 18 HZ3 LYS 18 2.747 -7.771 -4.846
150 H GLU 19 HN GLU 19 5.148 -5.122 3.057
151 HA GLU 19 HA GLU 19 6.774 -7.000 4.592
152 1HB GLU 19 HB2 GLU 19 7.292 -4.563 4.423
153 2HB GLU 19 HB3 GLU 19 5.824 -4.200 5.377
154 1HG GLU 19 HG2 GLU 19 6.795 -5.504 7.322
155 2HG GLU 19 HG3 GLU 19 8.236 -5.901 6.311
156 H LEU 20 HN LEU 20 3.433 -6.120 4.256
157 HA LEU 20 HA LEU 20 2.544 -7.195 6.819
158 1HB LEU 20 HB2 LEU 20 1.205 -5.728 4.486
159 2HB LEU 20 HB3 LEU 20 0.214 -6.483 5.808
160 HG LEU 20 HG LEU 20 2.181 -4.189 6.065
161 1HD1 LEU 20 HD13 LEU 20 0.025 -3.626 5.006
162 2HD1 LEU 20 HD11 LEU 20 -0.868 -4.318 6.411
163 3HD1 LEU 20 HD12 LEU 20 0.178 -2.862 6.631
164 1HD2 LEU 20 HD21 LEU 20 0.551 -5.585 8.285
165 2HD2 LEU 20 HD22 LEU 20 2.352 -5.520 8.156
166 3HD2 LEU 20 HD23 LEU 20 1.420 -4.015 8.460
167 H TYR 21 HN TYR 21 1.573 -7.626 3.365
168 HA TYR 21 HA TYR 21 0.271 -10.131 3.965
169 1HB TYR 21 HB2 TYR 21 0.160 -8.197 1.576
170 2HB TYR 21 HB3 TYR 21 -0.744 -9.753 1.618
171 HD1 TYR 21 HD1 TYR 21 -0.471 -6.372 3.256
172 HD2 TYR 21 HD2 TYR 21 -2.633 -10.085 2.993
173 HE1 TYR 21 HE1 TYR 21 -2.333 -5.385 4.516
174 HE2 TYR 21 HE2 TYR 21 -4.528 -9.069 4.195
175 HH TYR 21 HH TYR 21 -5.340 -7.222 5.203
176 H GLY 22 HN GLY 22 3.342 -9.178 2.702
177 1HA GLY 22 HA1 GLY 22 4.960 -10.710 2.623
178 2HA GLY 22 HA2 GLY 22 3.838 -11.996 2.076
179 H SER 23 HN SER 23 2.947 -11.709 -0.180
180 HA SER 23 HA SER 23 4.583 -10.288 -2.075
181 1HB SER 23 HB2 SER 23 5.915 -12.436 -1.536
182 2HB SER 23 HB3 SER 23 4.533 -13.388 -2.169
183 HG SER 23 HG SER 23 6.072 -11.417 -3.540
184 H SER 24 HN SER 24 1.768 -11.640 -0.829
185 HA SER 24 HA SER 24 0.262 -11.460 -3.356
186 1HB SER 24 HB2 SER 24 0.139 -13.657 -2.117
187 2HB SER 24 HB3 SER 24 -0.560 -12.806 -0.704
188 HG SER 24 HG SER 24 -2.241 -12.127 -2.149
189 H ALA 25 HN ALA 25 0.781 -9.041 -2.997
190 HA ALA 25 HA ALA 25 -1.130 -7.777 -1.142
191 1HB ALA 25 HB2 ALA 25 1.693 -6.802 -1.962
192 2HB ALA 25 HB3 ALA 25 0.517 -5.885 -0.963
193 3HB ALA 25 HB1 ALA 25 1.225 -7.417 -0.345
194 H GLY 26 HN GLY 26 -2.648 -6.650 -2.246
195 1HA GLY 26 HA1 GLY 26 -2.144 -5.713 -4.988
196 2HA GLY 26 HA2 GLY 26 -3.700 -5.882 -4.087
197 H ALA 27 HN ALA 27 -0.634 -4.060 -4.297
198 HA ALA 27 HA ALA 27 -1.425 -2.175 -2.254
199 1HB ALA 27 HB3 ALA 27 1.159 -2.471 -3.910
200 2HB ALA 27 HB1 ALA 27 0.907 -1.320 -2.540
201 3HB ALA 27 HB2 ALA 27 0.872 -3.091 -2.252
202 H LYS 28 HN LYS 28 -2.557 -0.360 -2.744
203 HA LYS 28 HA LYS 28 -2.490 0.754 -5.477
204 1HB LYS 28 HB2 LYS 28 -4.854 0.606 -3.473
205 2HB LYS 28 HB3 LYS 28 -4.921 1.256 -5.179
206 1HG LYS 28 HG2 LYS 28 -4.413 -1.602 -4.232
207 2HG LYS 28 HG3 LYS 28 -5.986 -0.936 -4.794
208 1HD LYS 28 HD2 LYS 28 -5.088 -0.598 -7.083
209 2HD LYS 28 HD3 LYS 28 -3.459 -1.140 -6.559
210 1HE LYS 28 HE2 LYS 28 -4.621 -2.964 -7.780
211 2HE LYS 28 HE3 LYS 28 -4.342 -3.430 -6.053
212 1HZ LYS 28 HZ2 LYS 28 -6.617 -2.823 -5.581
213 2HZ LYS 28 HZ3 LYS 28 -6.880 -2.390 -7.202
214 3HZ LYS 28 HZ1 LYS 28 -6.534 -4.003 -6.800
215 H CYS 29 HN CYS 29 -2.610 3.037 -5.452
216 HA CYS 29 HA CYS 29 -2.580 4.322 -2.808
217 1HB CYS 29 HB2 CYS 29 -0.117 3.593 -3.847
218 2HB CYS 29 HB3 CYS 29 -0.246 5.244 -4.480
219 H MET 30 HN MET 30 -3.637 6.154 -2.832
220 HA MET 30 HA MET 30 -4.171 7.557 -5.378
221 1HB MET 30 HB2 MET 30 -5.738 7.464 -2.749
222 2HB MET 30 HB3 MET 30 -6.047 8.647 -4.068
223 1HG MET 30 HG2 MET 30 -6.260 5.592 -4.250
224 2HG MET 30 HG3 MET 30 -7.619 6.743 -4.111
225 1HE MET 30 HE3 MET 30 -8.402 8.390 -5.913
226 2HE MET 30 HE1 MET 30 -6.785 9.149 -6.127
227 3HE MET 30 HE2 MET 30 -7.702 8.576 -7.557
228 H ASN 31 HN ASN 31 -1.975 8.466 -5.219
229 HA ASN 31 HA ASN 31 -0.257 9.356 -4.040
230 1HB ASN 31 HB2 ASN 31 -0.033 11.521 -5.310
231 2HB ASN 31 HB3 ASN 31 -0.488 10.077 -6.249
232 1HD2 ASN 31 HD22 ASN 31 -3.698 11.237 -7.284
233 2HD2 ASN 31 HD21 ASN 31 -2.678 9.852 -7.077
234 H GLY 32 HN GLY 32 -0.782 9.222 -1.734
235 1HA GLY 32 HA1 GLY 32 -0.645 11.476 -0.218
236 2HA GLY 32 HA2 GLY 32 -2.405 11.188 -0.568
237 H LYS 33 HN LYS 33 -2.508 8.349 -0.637
238 HA LYS 33 HA LYS 33 -1.347 7.337 1.825
239 1HB LYS 33 HB2 LYS 33 -4.340 7.942 1.645
240 2HB LYS 33 HB3 LYS 33 -3.716 6.608 2.676
241 1HG LYS 33 HG2 LYS 33 -2.167 8.215 3.839
242 2HG LYS 33 HG3 LYS 33 -2.973 9.556 2.981
243 1HD LYS 33 HD2 LYS 33 -3.916 9.377 5.205
244 2HD LYS 33 HD3 LYS 33 -5.165 9.025 3.960
245 1HE LYS 33 HE2 LYS 33 -5.006 6.574 4.449
246 2HE LYS 33 HE3 LYS 33 -3.658 6.885 5.612
247 1HZ LYS 33 HZ3 LYS 33 -5.172 8.188 6.937
248 2HZ LYS 33 HZ1 LYS 33 -6.438 7.906 5.840
249 3HZ LYS 33 HZ2 LYS 33 -5.759 6.611 6.706
250 H CYS 34 HN CYS 34 -1.772 5.131 2.153
251 HA CYS 34 HA CYS 34 -1.773 3.620 -0.345
252 1HB CYS 34 HB2 CYS 34 0.356 3.868 0.861
253 2HB CYS 34 HB3 CYS 34 -0.408 3.391 2.396
254 H LYS 35 HN LYS 35 -2.668 1.510 -0.438
255 HA LYS 35 HA LYS 35 -4.485 0.633 1.688
256 1HB LYS 35 HB2 LYS 35 -4.905 0.887 -1.356
257 2HB LYS 35 HB3 LYS 35 -5.899 -0.216 -0.333
258 1HG LYS 35 HG2 LYS 35 -6.684 1.653 1.016
259 2HG LYS 35 HG3 LYS 35 -5.693 2.827 0.101
260 1HD LYS 35 HD2 LYS 35 -7.916 1.070 -1.113
261 2HD LYS 35 HD3 LYS 35 -8.152 2.763 -0.538
262 1HE LYS 35 HE2 LYS 35 -6.400 1.813 -2.895
263 2HE LYS 35 HE3 LYS 35 -7.906 2.800 -2.975
264 1HZ LYS 35 HZ2 LYS 35 -6.751 4.553 -1.798
265 2HZ LYS 35 HZ3 LYS 35 -5.333 3.620 -1.727
266 3HZ LYS 35 HZ1 LYS 35 -5.940 4.132 -3.229
267 H CYS 36 HN CYS 36 -4.334 -1.577 2.035
268 HA CYS 36 HA CYS 36 -2.524 -3.156 0.297
269 1HB CYS 36 HB2 CYS 36 -2.844 -3.455 3.337
270 2HB CYS 36 HB3 CYS 36 -1.770 -4.431 2.175
271 H TYR 37 HN TYR 37 -3.779 -4.499 -0.857
272 HA TYR 37 HA TYR 37 -6.006 -5.905 0.421
273 1HB TYR 37 HB2 TYR 37 -5.357 -5.138 -2.510
274 2HB TYR 37 HB3 TYR 37 -6.704 -6.202 -2.023
275 HD1 TYR 37 HD1 TYR 37 -8.317 -5.269 -0.194
276 HD2 TYR 37 HD2 TYR 37 -5.778 -2.739 -2.593
277 HE1 TYR 37 HE1 TYR 37 -9.774 -3.341 0.273
278 HE2 TYR 37 HE2 TYR 37 -7.273 -0.861 -2.211
279 HH TYR 37 HH TYR 37 -10.200 -1.190 -0.106
280 H ASN 38 HN ASN 38 -5.816 -7.806 -1.907
281 HA ASN 38 HA ASN 38 -3.265 -9.196 -1.457
282 1HB ASN 38 HB2 ASN 38 -6.099 -10.437 -1.276
283 2HB ASN 38 HB3 ASN 38 -4.601 -11.409 -1.527
284 1HD2 ASN 38 HD21 ASN 38 -5.539 -10.007 2.228
285 2HD2 ASN 38 HD22 ASN 38 -6.512 -9.612 0.851
286 H ASN 39 HN ASN 39 -2.743 -10.569 -3.309
287 HA ASN 39 HA ASN 39 -3.925 -9.715 -5.837
288 1HB ASN 39 HB2 ASN 39 -1.626 -11.661 -5.188
289 2HB ASN 39 HB3 ASN 39 -2.209 -11.276 -6.849
290 1HD2 ASN 39 HD22 ASN 39 -1.073 -7.731 -6.578
291 2HD2 ASN 39 HD21 ASN 39 -2.564 -8.554 -6.892
292 1H NH2 40 HT1 ASN 39 -5.619 -10.851 -6.702
293 2H NH2 40 HT2 ASN 39 -6.039 -12.491 -6.332
No H/Q in entry = 293
Start of MODEL 38
1 1H THR 1 HN THR 1 -9.063 -2.669 3.010
2 2H THR 1 HN3 THR 1 -7.782 -3.729 2.660
3 3H THR 1 HN2 THR 1 -9.017 -4.210 3.724
4 HA THR 1 HA THR 1 -8.390 -2.504 5.269
5 HB THR 1 HB THR 1 -6.024 -4.300 4.415
6 HG1 THR 1 HG1 THR 1 -6.855 -5.638 6.006
7 1HG2 THR 1 HG21 THR 1 -6.634 -2.886 7.112
8 2HG2 THR 1 HG22 THR 1 -5.359 -4.134 6.858
9 3HG2 THR 1 HG23 THR 1 -5.227 -2.550 6.035
10 H ILE 2 HN ILE 2 -8.035 -0.318 5.067
11 HA ILE 2 HA ILE 2 -6.025 0.655 3.166
12 HB ILE 2 HB ILE 2 -8.417 2.054 4.445
13 1HG1 ILE 2 HG12 ILE 2 -7.943 0.735 1.700
14 2HG1 ILE 2 HG13 ILE 2 -9.230 0.405 2.896
15 1HG2 ILE 2 HG22 ILE 2 -6.303 2.986 2.388
16 2HG2 ILE 2 HG23 ILE 2 -7.802 3.894 2.812
17 3HG2 ILE 2 HG21 ILE 2 -6.545 3.639 4.047
18 1HD1 ILE 2 HD12 ILE 2 -10.132 2.775 2.479
19 2HD1 ILE 2 HD13 ILE 2 -8.940 2.907 1.118
20 3HD1 ILE 2 HD11 ILE 2 -10.223 1.650 1.073
21 H ILE 3 HN ILE 3 -4.140 1.199 4.009
22 HA ILE 3 HA ILE 3 -3.820 1.621 6.895
23 HB ILE 3 HB ILE 3 -1.535 1.129 6.670
24 1HG1 ILE 3 HG12 ILE 3 -2.086 0.353 3.735
25 2HG1 ILE 3 HG13 ILE 3 -1.258 1.877 4.209
26 1HG2 ILE 3 HG21 ILE 3 -3.342 -0.557 7.170
27 2HG2 ILE 3 HG22 ILE 3 -3.380 -1.007 5.422
28 3HG2 ILE 3 HG23 ILE 3 -1.892 -1.278 6.394
29 1HD1 ILE 3 HD12 ILE 3 0.441 0.597 5.490
30 2HD1 ILE 3 HD13 ILE 3 -0.302 -0.954 4.958
31 3HD1 ILE 3 HD11 ILE 3 0.435 0.134 3.735
32 H ASN 4 HN ASN 4 -1.560 3.102 7.106
33 HA ASN 4 HA ASN 4 -2.186 5.691 5.832
34 1HB ASN 4 HB2 ASN 4 -3.142 5.475 8.190
35 2HB ASN 4 HB3 ASN 4 -1.487 5.219 8.810
36 1HD2 ASN 4 HD22 ASN 4 -2.680 8.977 7.331
37 2HD2 ASN 4 HD21 ASN 4 -3.415 7.527 6.736
38 H VAL 5 HN VAL 5 -0.518 5.106 4.306
39 HA VAL 5 HA VAL 5 2.114 5.903 5.276
40 HB VAL 5 HB VAL 5 1.514 3.453 3.540
41 1HG1 VAL 5 HG13 VAL 5 4.139 5.092 3.588
42 2HG1 VAL 5 HG11 VAL 5 4.010 3.391 3.012
43 3HG1 VAL 5 HG12 VAL 5 3.125 4.663 2.144
44 1HG2 VAL 5 HG23 VAL 5 3.297 3.995 6.004
45 2HG2 VAL 5 HG21 VAL 5 1.783 3.010 5.947
46 3HG2 VAL 5 HG22 VAL 5 3.258 2.446 5.094
47 H LYS 6 HN LYS 6 2.743 7.632 4.248
48 HA LYS 6 HA LYS 6 1.109 8.797 2.236
49 1HB LYS 6 HB2 LYS 6 3.785 9.724 3.461
50 2HB LYS 6 HB3 LYS 6 2.706 10.738 2.434
51 1HG LYS 6 HG2 LYS 6 1.964 9.568 5.189
52 2HG LYS 6 HG3 LYS 6 2.596 11.215 4.866
53 1HD LYS 6 HD2 LYS 6 0.600 11.680 3.390
54 2HD LYS 6 HD3 LYS 6 -0.055 10.057 3.801
55 1HE LYS 6 HE2 LYS 6 -1.142 11.811 5.183
56 2HE LYS 6 HE3 LYS 6 -0.162 10.710 6.236
57 1HZ LYS 6 HZ1 LYS 6 0.655 13.391 5.237
58 2HZ LYS 6 HZ2 LYS 6 0.127 13.009 6.806
59 3HZ LYS 6 HZ3 LYS 6 1.586 12.364 6.220
60 H CYS 7 HN CYS 7 1.704 9.174 -0.003
61 HA CYS 7 HA CYS 7 4.123 7.822 -1.035
62 1HB CYS 7 HB2 CYS 7 2.972 6.295 -2.359
63 2HB CYS 7 HB3 CYS 7 2.223 6.181 -0.707
64 H THR 8 HN THR 8 4.336 8.151 -3.335
65 HA THR 8 HA THR 8 2.716 10.252 -4.576
66 HB THR 8 HB THR 8 5.042 11.007 -4.211
67 HG1 THR 8 HG1 THR 8 4.369 10.534 -6.911
68 1HG2 THR 8 HG21 THR 8 6.188 8.758 -4.353
69 2HG2 THR 8 HG22 THR 8 5.884 8.725 -6.130
70 3HG2 THR 8 HG23 THR 8 6.930 10.000 -5.419
71 H SER 9 HN SER 9 3.852 6.927 -4.512
72 HA SER 9 HA SER 9 2.623 6.337 -7.089
73 1HB SER 9 HB2 SER 9 4.605 4.901 -7.609
74 2HB SER 9 HB3 SER 9 5.103 6.599 -7.237
75 HG SER 9 HG SER 9 6.439 5.114 -6.295
76 HA PRO 10 HA PRO 10 1.136 2.628 -4.848
77 1HB PRO 10 HB2 PRO 10 1.498 1.252 -7.550
78 2HB PRO 10 HB3 PRO 10 0.123 1.189 -6.381
79 1HG PRO 10 HG2 PRO 10 0.000 2.755 -8.633
80 2HG PRO 10 HG3 PRO 10 -0.590 3.420 -7.051
81 1HD PRO 10 HD2 PRO 10 2.170 3.836 -8.360
82 2HD PRO 10 HD3 PRO 10 1.013 5.080 -7.690
83 H LYS 11 HN LYS 11 4.250 2.637 -6.605
84 HA LYS 11 HA LYS 11 5.300 0.308 -5.366
85 1HB LYS 11 HB2 LYS 11 5.954 1.242 -7.602
86 2HB LYS 11 HB3 LYS 11 6.739 2.614 -6.784
87 1HG LYS 11 HG2 LYS 11 8.349 0.895 -7.549
88 2HG LYS 11 HG3 LYS 11 8.413 1.113 -5.776
89 1HD LYS 11 HD2 LYS 11 8.692 -1.200 -6.292
90 2HD LYS 11 HD3 LYS 11 7.120 -1.030 -5.460
91 1HE LYS 11 HE2 LYS 11 7.417 -1.245 -8.545
92 2HE LYS 11 HE3 LYS 11 7.236 -2.675 -7.453
93 1HZ LYS 11 HZ1 LYS 11 5.137 -1.813 -6.717
94 2HZ LYS 11 HZ2 LYS 11 5.286 -0.457 -7.727
95 3HZ LYS 11 HZ3 LYS 11 5.160 -2.012 -8.403
96 H GLN 12 HN GLN 12 4.736 3.507 -4.072
97 HA GLN 12 HA GLN 12 6.712 3.253 -1.964
98 1HB GLN 12 HB2 GLN 12 6.492 5.349 -3.256
99 2HB GLN 12 HB3 GLN 12 4.862 5.548 -2.740
100 1HG GLN 12 HG2 GLN 12 5.659 5.906 -0.367
101 2HG GLN 12 HG3 GLN 12 7.282 5.250 -0.790
102 1HE2 GLN 12 HE22 GLN 12 8.244 8.252 -2.725
103 2HE2 GLN 12 HE21 GLN 12 8.185 6.536 -2.951
104 H CYS 13 HN CYS 13 3.891 1.857 -2.708
105 HA CYS 13 HA CYS 13 2.838 1.779 0.031
106 1HB CYS 13 HB2 CYS 13 1.308 2.981 -1.563
107 2HB CYS 13 HB3 CYS 13 1.384 1.631 -2.705
108 H SER 14 HN SER 14 4.372 0.044 -2.654
109 HA SER 14 HA SER 14 3.501 -2.581 -1.825
110 1HB SER 14 HB2 SER 14 5.644 -1.635 -3.837
111 2HB SER 14 HB3 SER 14 5.144 -3.353 -3.580
112 HG SER 14 HG SER 14 3.488 -1.222 -4.413
113 H LYS 15 HN LYS 15 5.550 -0.268 -0.508
114 HA LYS 15 HA LYS 15 7.636 -1.918 0.489
115 1HB LYS 15 HB2 LYS 15 6.740 0.989 0.609
116 2HB LYS 15 HB3 LYS 15 7.990 0.399 1.726
117 1HG LYS 15 HG2 LYS 15 8.073 0.266 -1.362
118 2HG LYS 15 HG3 LYS 15 8.816 1.558 -0.361
119 1HD LYS 15 HD2 LYS 15 10.349 -0.112 0.692
120 2HD LYS 15 HD3 LYS 15 9.598 -1.426 -0.276
121 1HE LYS 15 HE2 LYS 15 11.731 -0.732 -1.319
122 2HE LYS 15 HE3 LYS 15 10.346 -0.308 -2.405
123 1HZ LYS 15 HZ1 LYS 15 10.469 1.946 -1.580
124 2HZ LYS 15 HZ2 LYS 15 11.771 1.544 -0.565
125 3HZ LYS 15 HZ3 LYS 15 11.949 1.453 -2.253
126 HA PRO 16 HA PRO 16 5.085 -1.643 4.552
127 1HB PRO 16 HB2 PRO 16 2.536 -0.519 4.566
128 2HB PRO 16 HB3 PRO 16 4.068 0.389 4.891
129 1HG PRO 16 HG2 PRO 16 2.558 -0.069 2.305
130 2HG PRO 16 HG3 PRO 16 2.978 1.548 2.993
131 1HD PRO 16 HD2 PRO 16 4.614 0.492 1.120
132 2HD PRO 16 HD3 PRO 16 5.368 1.139 2.617
133 H CYS 17 HN CYS 17 2.821 -2.104 1.698
134 HA CYS 17 HA CYS 17 1.306 -4.080 2.853
135 1HB CYS 17 HB2 CYS 17 1.660 -3.509 -0.136
136 2HB CYS 17 HB3 CYS 17 0.346 -4.487 0.606
137 H LYS 18 HN LYS 18 4.388 -4.397 0.924
138 HA LYS 18 HA LYS 18 4.148 -7.305 0.878
139 1HB LYS 18 HB2 LYS 18 6.318 -5.483 -0.213
140 2HB LYS 18 HB3 LYS 18 6.322 -7.281 -0.311
141 1HG LYS 18 HG2 LYS 18 4.077 -7.207 -1.409
142 2HG LYS 18 HG3 LYS 18 4.184 -5.412 -1.451
143 1HD LYS 18 HD2 LYS 18 6.243 -5.567 -2.869
144 2HD LYS 18 HD3 LYS 18 6.167 -7.362 -2.811
145 1HE LYS 18 HE2 LYS 18 3.997 -5.520 -4.045
146 2HE LYS 18 HE3 LYS 18 5.249 -6.443 -4.970
147 1HZ LYS 18 HZ1 LYS 18 4.322 -8.476 -4.090
148 2HZ LYS 18 HZ2 LYS 18 3.145 -7.609 -3.224
149 3HZ LYS 18 HZ3 LYS 18 3.149 -7.572 -4.922
150 H GLU 19 HN GLU 19 5.250 -4.920 3.068
151 HA GLU 19 HA GLU 19 6.916 -6.753 4.603
152 1HB GLU 19 HB2 GLU 19 7.394 -4.358 4.493
153 2HB GLU 19 HB3 GLU 19 5.868 -3.961 5.311
154 1HG GLU 19 HG2 GLU 19 8.039 -5.763 6.592
155 2HG GLU 19 HG3 GLU 19 8.133 -3.968 6.628
156 H LEU 20 HN LEU 20 3.522 -5.860 4.350
157 HA LEU 20 HA LEU 20 2.688 -7.059 6.857
158 1HB LEU 20 HB2 LEU 20 1.284 -5.599 4.556
159 2HB LEU 20 HB3 LEU 20 0.336 -6.372 5.902
160 HG LEU 20 HG LEU 20 2.271 -4.044 6.114
161 1HD1 LEU 20 HD11 LEU 20 0.092 -3.503 5.099
162 2HD1 LEU 20 HD12 LEU 20 -0.768 -4.219 6.513
163 3HD1 LEU 20 HD13 LEU 20 0.258 -2.749 6.728
164 1HD2 LEU 20 HD21 LEU 20 0.713 -5.465 8.367
165 2HD2 LEU 20 HD22 LEU 20 2.509 -5.375 8.198
166 3HD2 LEU 20 HD23 LEU 20 1.563 -3.883 8.524
167 H TYR 21 HN TYR 21 1.789 -7.478 3.379
168 HA TYR 21 HA TYR 21 0.495 -10.010 3.952
169 1HB TYR 21 HB2 TYR 21 0.279 -8.053 1.589
170 2HB TYR 21 HB3 TYR 21 -0.606 -9.620 1.686
171 HD1 TYR 21 HD1 TYR 21 -0.327 -6.203 3.233
172 HD2 TYR 21 HD2 TYR 21 -2.384 -9.981 3.208
173 HE1 TYR 21 HE1 TYR 21 -2.117 -5.242 4.615
174 HE2 TYR 21 HE2 TYR 21 -4.201 -9.004 4.557
175 HH TYR 21 HH TYR 21 -4.090 -5.576 5.635
176 H GLY 22 HN GLY 22 3.519 -8.945 2.689
177 1HA GLY 22 HA1 GLY 22 5.188 -10.395 2.533
178 2HA GLY 22 HA2 GLY 22 4.100 -11.731 2.050
179 H SER 23 HN SER 23 3.178 -11.600 -0.161
180 HA SER 23 HA SER 23 4.727 -10.204 -2.181
181 1HB SER 23 HB2 SER 23 4.639 -13.296 -2.011
182 2HB SER 23 HB3 SER 23 5.204 -12.356 -3.449
183 HG SER 23 HG SER 23 6.790 -11.452 -2.112
184 H SER 24 HN SER 24 1.940 -11.528 -0.792
185 HA SER 24 HA SER 24 0.350 -11.427 -3.267
186 1HB SER 24 HB2 SER 24 0.267 -13.562 -1.920
187 2HB SER 24 HB3 SER 24 -0.369 -12.641 -0.519
188 HG SER 24 HG SER 24 -1.974 -13.630 -1.778
189 H ALA 25 HN ALA 25 0.896 -8.999 -3.032
190 HA ALA 25 HA ALA 25 -0.902 -7.633 -1.138
191 1HB ALA 25 HB2 ALA 25 1.932 -6.811 -2.060
192 2HB ALA 25 HB3 ALA 25 0.828 -5.796 -1.073
193 3HB ALA 25 HB1 ALA 25 1.465 -7.343 -0.409
194 H GLY 26 HN GLY 26 -2.391 -6.452 -2.178
195 1HA GLY 26 HA1 GLY 26 -1.940 -5.565 -4.958
196 2HA GLY 26 HA2 GLY 26 -3.494 -5.791 -4.065
197 H ALA 27 HN ALA 27 -0.535 -3.834 -4.340
198 HA ALA 27 HA ALA 27 -1.356 -1.955 -2.307
199 1HB ALA 27 HB1 ALA 27 1.128 -2.127 -4.103
200 2HB ALA 27 HB2 ALA 27 0.873 -0.912 -2.791
201 3HB ALA 27 HB3 ALA 27 0.982 -2.658 -2.393
202 H LYS 28 HN LYS 28 -2.631 -0.217 -2.762
203 HA LYS 28 HA LYS 28 -2.717 0.912 -5.490
204 1HB LYS 28 HB2 LYS 28 -5.042 0.823 -3.458
205 2HB LYS 28 HB3 LYS 28 -5.130 1.315 -5.185
206 1HG LYS 28 HG2 LYS 28 -4.463 -1.221 -5.625
207 2HG LYS 28 HG3 LYS 28 -4.872 -1.403 -3.874
208 1HD LYS 28 HD2 LYS 28 -6.835 -2.036 -5.107
209 2HD LYS 28 HD3 LYS 28 -7.161 -0.451 -4.330
210 1HE LYS 28 HE2 LYS 28 -8.087 -0.516 -6.637
211 2HE LYS 28 HE3 LYS 28 -6.757 0.705 -6.554
212 1HZ LYS 28 HZ3 LYS 28 -6.534 -2.074 -7.588
213 2HZ LYS 28 HZ1 LYS 28 -6.617 -0.650 -8.510
214 3HZ LYS 28 HZ2 LYS 28 -5.277 -0.935 -7.506
215 H CYS 29 HN CYS 29 -2.575 3.219 -5.409
216 HA CYS 29 HA CYS 29 -2.515 4.403 -2.717
217 1HB CYS 29 HB2 CYS 29 -0.130 3.740 -3.881
218 2HB CYS 29 HB3 CYS 29 -0.295 5.402 -4.483
219 H MET 30 HN MET 30 -4.111 5.695 -2.718
220 HA MET 30 HA MET 30 -4.909 7.178 -5.116
221 1HB MET 30 HB2 MET 30 -6.490 6.293 -2.635
222 2HB MET 30 HB3 MET 30 -7.159 7.264 -3.995
223 1HG MET 30 HG2 MET 30 -6.542 5.378 -5.565
224 2HG MET 30 HG3 MET 30 -6.043 4.404 -4.147
225 1HE MET 30 HE2 MET 30 -7.467 2.468 -4.775
226 2HE MET 30 HE3 MET 30 -9.199 2.536 -5.244
227 3HE MET 30 HE1 MET 30 -7.959 3.337 -6.270
228 H ASN 31 HN ASN 31 -4.407 9.482 -4.937
229 HA ASN 31 HA ASN 31 -4.289 11.478 -4.180
230 1HB ASN 31 HB2 ASN 31 -6.193 11.012 -2.607
231 2HB ASN 31 HB3 ASN 31 -5.016 10.643 -1.315
232 1HD2 ASN 31 HD22 ASN 31 -5.477 14.575 -2.732
233 2HD2 ASN 31 HD21 ASN 31 -5.821 13.229 -3.765
234 H GLY 32 HN GLY 32 -3.142 10.128 -1.118
235 1HA GLY 32 HA1 GLY 32 -0.497 9.656 -1.924
236 2HA GLY 32 HA2 GLY 32 -0.661 11.202 -0.979
237 H LYS 33 HN LYS 33 -2.436 8.029 -0.836
238 HA LYS 33 HA LYS 33 -1.269 7.338 1.715
239 1HB LYS 33 HB2 LYS 33 -4.261 7.996 1.516
240 2HB LYS 33 HB3 LYS 33 -3.557 6.924 2.784
241 1HG LYS 33 HG2 LYS 33 -1.985 8.807 3.442
242 2HG LYS 33 HG3 LYS 33 -2.941 9.891 2.379
243 1HD LYS 33 HD2 LYS 33 -5.044 9.306 3.607
244 2HD LYS 33 HD3 LYS 33 -4.090 8.279 4.737
245 1HE LYS 33 HE2 LYS 33 -2.808 10.298 5.503
246 2HE LYS 33 HE3 LYS 33 -3.738 11.337 4.345
247 1HZ LYS 33 HZ3 LYS 33 -4.871 9.759 6.597
248 2HZ LYS 33 HZ1 LYS 33 -4.616 11.438 6.563
249 3HZ LYS 33 HZ2 LYS 33 -5.748 10.729 5.513
250 H CYS 34 HN CYS 34 -1.740 5.139 2.234
251 HA CYS 34 HA CYS 34 -1.725 3.589 -0.231
252 1HB CYS 34 HB2 CYS 34 0.339 3.856 1.070
253 2HB CYS 34 HB3 CYS 34 -0.473 3.304 2.554
254 H LYS 35 HN LYS 35 -2.628 1.535 -0.399
255 HA LYS 35 HA LYS 35 -4.563 0.606 1.599
256 1HB LYS 35 HB2 LYS 35 -4.810 0.635 -1.482
257 2HB LYS 35 HB3 LYS 35 -5.951 -0.190 -0.361
258 1HG LYS 35 HG2 LYS 35 -6.665 1.943 0.550
259 2HG LYS 35 HG3 LYS 35 -5.381 2.822 -0.343
260 1HD LYS 35 HD2 LYS 35 -7.197 3.286 -1.670
261 2HD LYS 35 HD3 LYS 35 -6.418 1.875 -2.511
262 1HE LYS 35 HE2 LYS 35 -8.294 0.713 -2.492
263 2HE LYS 35 HE3 LYS 35 -8.418 0.832 -0.686
264 1HZ LYS 35 HZ2 LYS 35 -9.408 2.830 -2.654
265 2HZ LYS 35 HZ3 LYS 35 -10.348 1.702 -1.798
266 3HZ LYS 35 HZ1 LYS 35 -9.537 2.939 -0.963
267 H CYS 36 HN CYS 36 -4.557 -1.612 1.767
268 HA CYS 36 HA CYS 36 -2.618 -3.168 0.130
269 1HB CYS 36 HB2 CYS 36 -3.046 -3.638 3.131
270 2HB CYS 36 HB3 CYS 36 -1.929 -4.526 1.941
271 H TYR 37 HN TYR 37 -3.560 -4.824 -0.887
272 HA TYR 37 HA TYR 37 -5.986 -6.062 0.185
273 1HB TYR 37 HB2 TYR 37 -5.146 -5.208 -2.673
274 2HB TYR 37 HB3 TYR 37 -6.449 -6.385 -2.360
275 HD1 TYR 37 HD2 TYR 37 -8.367 -5.731 -0.885
276 HD2 TYR 37 HD1 TYR 37 -5.645 -2.733 -2.418
277 HE1 TYR 37 HE2 TYR 37 -10.021 -3.961 -0.452
278 HE2 TYR 37 HE1 TYR 37 -7.264 -1.043 -2.068
279 HH TYR 37 HH TYR 37 -10.529 -1.817 -0.613
280 H ASN 38 HN ASN 38 -5.890 -8.165 -1.725
281 HA ASN 38 HA ASN 38 -3.296 -9.503 -1.263
282 1HB ASN 38 HB2 ASN 38 -6.137 -10.610 -0.797
283 2HB ASN 38 HB3 ASN 38 -4.716 -11.686 -1.077
284 1HD2 ASN 38 HD22 ASN 38 -3.178 -11.199 2.074
285 2HD2 ASN 38 HD21 ASN 38 -2.977 -11.737 0.439
286 H ASN 39 HN ASN 39 -2.561 -9.155 -3.351
287 HA ASN 39 HA ASN 39 -3.962 -10.642 -5.459
288 1HB ASN 39 HB2 ASN 39 -2.800 -7.797 -5.766
289 2HB ASN 39 HB3 ASN 39 -3.211 -8.889 -7.138
290 1HD2 ASN 39 HD21 ASN 39 -6.811 -8.688 -6.650
291 2HD2 ASN 39 HD22 ASN 39 -5.553 -9.800 -7.078
292 1H NH2 40 HT1 ASN 39 -2.478 -12.329 -5.283
293 2H NH2 40 HT2 ASN 39 -0.773 -12.134 -5.510
No H/Q in entry = 293
Start of MODEL 39
1 1H THR 1 HN2 THR 1 -8.601 -3.583 2.402
2 2H THR 1 HN THR 1 -7.024 -4.135 2.709
3 3H THR 1 HN3 THR 1 -8.325 -4.731 3.625
4 HA THR 1 HA THR 1 -8.731 -2.594 4.523
5 HB THR 1 HB THR 1 -6.755 -2.372 6.032
6 HG1 THR 1 HG1 THR 1 -5.147 -2.810 4.473
7 1HG2 THR 1 HG21 THR 1 -8.519 -4.121 6.380
8 2HG2 THR 1 HG22 THR 1 -7.553 -5.295 5.410
9 3HG2 THR 1 HG23 THR 1 -6.899 -4.652 6.960
10 H ILE 2 HN ILE 2 -7.855 -0.398 5.060
11 HA ILE 2 HA ILE 2 -6.365 0.893 2.895
12 HB ILE 2 HB ILE 2 -8.772 1.966 4.479
13 1HG1 ILE 2 HG12 ILE 2 -8.506 1.105 1.531
14 2HG1 ILE 2 HG13 ILE 2 -9.513 0.342 2.792
15 1HG2 ILE 2 HG21 ILE 2 -6.953 3.259 2.333
16 2HG2 ILE 2 HG22 ILE 2 -8.465 3.993 2.991
17 3HG2 ILE 2 HG23 ILE 2 -7.069 3.732 4.067
18 1HD1 ILE 2 HD11 ILE 2 -10.866 2.473 2.993
19 2HD1 ILE 2 HD12 ILE 2 -9.936 3.152 1.600
20 3HD1 ILE 2 HD13 ILE 2 -10.954 1.688 1.372
21 H ILE 3 HN ILE 3 -4.431 1.418 3.763
22 HA ILE 3 HA ILE 3 -4.165 1.934 6.653
23 HB ILE 3 HB ILE 3 -1.884 1.454 6.534
24 1HG1 ILE 3 HG12 ILE 3 -2.324 0.542 3.615
25 2HG1 ILE 3 HG13 ILE 3 -1.464 2.051 4.090
26 1HG2 ILE 3 HG21 ILE 3 -3.690 -0.237 7.064
27 2HG2 ILE 3 HG22 ILE 3 -3.636 -0.801 5.351
28 3HG2 ILE 3 HG23 ILE 3 -2.194 -0.977 6.406
29 1HD1 ILE 3 HD11 ILE 3 0.108 0.702 5.509
30 2HD1 ILE 3 HD12 ILE 3 -0.647 -0.813 4.894
31 3HD1 ILE 3 HD13 ILE 3 0.207 0.270 3.747
32 H ASN 4 HN ASN 4 -1.993 3.533 6.841
33 HA ASN 4 HA ASN 4 -2.434 5.883 5.115
34 1HB ASN 4 HB2 ASN 4 -2.290 5.925 8.210
35 2HB ASN 4 HB3 ASN 4 -2.284 7.380 7.139
36 1HD2 ASN 4 HD22 ASN 4 -5.792 7.029 6.187
37 2HD2 ASN 4 HD21 ASN 4 -4.246 7.422 5.510
38 H VAL 5 HN VAL 5 -0.516 5.857 4.037
39 HA VAL 5 HA VAL 5 1.946 5.312 5.542
40 HB VAL 5 HB VAL 5 1.146 4.675 2.710
41 1HG1 VAL 5 HG12 VAL 5 3.979 4.429 3.939
42 2HG1 VAL 5 HG13 VAL 5 3.434 3.723 2.371
43 3HG1 VAL 5 HG11 VAL 5 3.516 5.485 2.548
44 1HG2 VAL 5 HG23 VAL 5 0.479 3.127 4.666
45 2HG2 VAL 5 HG21 VAL 5 1.543 2.359 3.460
46 3HG2 VAL 5 HG22 VAL 5 2.235 2.910 5.021
47 H LYS 6 HN LYS 6 0.540 7.360 2.976
48 HA LYS 6 HA LYS 6 0.895 9.199 2.147
49 1HB LYS 6 HB2 LYS 6 3.323 9.538 3.809
50 2HB LYS 6 HB3 LYS 6 2.633 10.809 2.721
51 1HG LYS 6 HG2 LYS 6 1.289 9.655 5.246
52 2HG LYS 6 HG3 LYS 6 2.136 11.229 5.115
53 1HD LYS 6 HD2 LYS 6 0.465 11.986 3.404
54 2HD LYS 6 HD3 LYS 6 -0.413 10.424 3.596
55 1HE LYS 6 HE2 LYS 6 -0.845 10.932 6.012
56 2HE LYS 6 HE3 LYS 6 0.047 12.500 5.844
57 1HZ LYS 6 HZ1 LYS 6 -2.406 11.710 4.361
58 2HZ LYS 6 HZ2 LYS 6 -2.317 12.780 5.677
59 3HZ LYS 6 HZ3 LYS 6 -1.570 13.180 4.205
60 H CYS 7 HN CYS 7 1.549 9.331 -0.005
61 HA CYS 7 HA CYS 7 4.004 7.976 -0.895
62 1HB CYS 7 HB2 CYS 7 2.937 6.332 -2.199
63 2HB CYS 7 HB3 CYS 7 2.190 6.249 -0.551
64 H THR 8 HN THR 8 3.868 7.996 -3.450
65 HA THR 8 HA THR 8 2.192 9.973 -4.617
66 HB THR 8 HB THR 8 4.073 11.412 -3.847
67 HG1 THR 8 HG1 THR 8 2.954 11.895 -5.719
68 1HG2 THR 8 HG21 THR 8 5.924 9.711 -3.931
69 2HG2 THR 8 HG22 THR 8 5.878 9.746 -5.733
70 3HG2 THR 8 HG23 THR 8 6.325 11.222 -4.813
71 H SER 9 HN SER 9 2.638 7.023 -4.467
72 HA SER 9 HA SER 9 2.675 6.315 -7.154
73 1HB SER 9 HB2 SER 9 4.840 4.969 -7.231
74 2HB SER 9 HB3 SER 9 5.123 6.734 -7.073
75 HG SER 9 HG SER 9 6.444 5.565 -5.757
76 HA PRO 10 HA PRO 10 1.241 2.558 -4.929
77 1HB PRO 10 HB2 PRO 10 1.668 1.288 -7.679
78 2HB PRO 10 HB3 PRO 10 0.290 1.120 -6.521
79 1HG PRO 10 HG2 PRO 10 0.097 2.745 -8.718
80 2HG PRO 10 HG3 PRO 10 -0.524 3.334 -7.116
81 1HD PRO 10 HD2 PRO 10 2.217 3.916 -8.404
82 2HD PRO 10 HD3 PRO 10 1.001 5.086 -7.705
83 H LYS 11 HN LYS 11 4.354 2.841 -6.626
84 HA LYS 11 HA LYS 11 5.569 0.514 -5.574
85 1HB LYS 11 HB2 LYS 11 6.205 1.752 -7.667
86 2HB LYS 11 HB3 LYS 11 6.841 3.087 -6.668
87 1HG LYS 11 HG2 LYS 11 8.629 1.637 -7.522
88 2HG LYS 11 HG3 LYS 11 8.588 1.543 -5.735
89 1HD LYS 11 HD2 LYS 11 7.411 -0.670 -5.873
90 2HD LYS 11 HD3 LYS 11 7.335 -0.520 -7.662
91 1HE LYS 11 HE2 LYS 11 9.159 -2.060 -6.987
92 2HE LYS 11 HE3 LYS 11 9.850 -0.584 -7.777
93 1HZ LYS 11 HZ1 LYS 11 9.664 -1.091 -4.852
94 2HZ LYS 11 HZ2 LYS 11 11.059 -1.207 -5.816
95 3HZ LYS 11 HZ3 LYS 11 10.307 0.299 -5.588
96 H GLN 12 HN GLN 12 4.768 3.579 -4.038
97 HA GLN 12 HA GLN 12 6.660 3.271 -1.863
98 1HB GLN 12 HB2 GLN 12 6.444 5.450 -2.971
99 2HB GLN 12 HB3 GLN 12 4.747 5.512 -2.652
100 1HG GLN 12 HG2 GLN 12 5.247 5.761 -0.178
101 2HG GLN 12 HG3 GLN 12 6.963 5.273 -0.465
102 1HE2 GLN 12 HE22 GLN 12 7.096 8.929 -0.052
103 2HE2 GLN 12 HE21 GLN 12 6.824 7.507 0.899
104 H CYS 13 HN CYS 13 3.991 1.761 -2.814
105 HA CYS 13 HA CYS 13 2.748 1.569 -0.158
106 1HB CYS 13 HB2 CYS 13 1.323 2.789 -1.832
107 2HB CYS 13 HB3 CYS 13 1.419 1.413 -2.946
108 H SER 14 HN SER 14 4.468 -0.090 -2.770
109 HA SER 14 HA SER 14 3.537 -2.729 -2.024
110 1HB SER 14 HB2 SER 14 5.739 -1.760 -3.960
111 2HB SER 14 HB3 SER 14 5.223 -3.481 -3.748
112 HG SER 14 HG SER 14 3.593 -1.321 -4.566
113 H LYS 15 HN LYS 15 5.714 -0.449 -0.746
114 HA LYS 15 HA LYS 15 7.590 -2.229 0.439
115 1HB LYS 15 HB2 LYS 15 7.021 0.748 0.285
116 2HB LYS 15 HB3 LYS 15 8.101 0.143 1.567
117 1HG LYS 15 HG2 LYS 15 8.454 -0.330 -1.461
118 2HG LYS 15 HG3 LYS 15 9.240 0.987 -0.524
119 1HD LYS 15 HD2 LYS 15 10.421 -0.681 0.895
120 2HD LYS 15 HD3 LYS 15 9.692 -2.029 -0.041
121 1HE LYS 15 HE2 LYS 15 11.554 0.150 -1.219
122 2HE LYS 15 HE3 LYS 15 12.047 -1.533 -0.767
123 1HZ LYS 15 HZ1 LYS 15 10.482 -2.372 -2.376
124 2HZ LYS 15 HZ2 LYS 15 10.011 -0.797 -2.803
125 3HZ LYS 15 HZ3 LYS 15 11.600 -1.319 -3.101
126 HA PRO 16 HA PRO 16 4.928 -1.308 4.402
127 1HB PRO 16 HB2 PRO 16 2.408 -0.150 4.080
128 2HB PRO 16 HB3 PRO 16 3.944 0.726 4.477
129 1HG PRO 16 HG2 PRO 16 2.658 0.098 1.816
130 2HG PRO 16 HG3 PRO 16 3.142 1.747 2.375
131 1HD PRO 16 HD2 PRO 16 4.809 0.469 0.765
132 2HD PRO 16 HD3 PRO 16 5.503 1.163 2.269
133 H CYS 17 HN CYS 17 2.723 -2.039 1.558
134 HA CYS 17 HA CYS 17 1.187 -3.909 2.837
135 1HB CYS 17 HB2 CYS 17 1.641 -3.635 -0.192
136 2HB CYS 17 HB3 CYS 17 0.296 -4.529 0.605
137 H LYS 18 HN LYS 18 4.294 -4.414 0.976
138 HA LYS 18 HA LYS 18 4.005 -7.310 1.148
139 1HB LYS 18 HB2 LYS 18 6.180 -5.599 -0.088
140 2HB LYS 18 HB3 LYS 18 6.177 -7.399 -0.054
141 1HG LYS 18 HG2 LYS 18 3.933 -7.421 -1.137
142 2HG LYS 18 HG3 LYS 18 3.996 -5.628 -1.270
143 1HD LYS 18 HD2 LYS 18 5.967 -5.786 -2.783
144 2HD LYS 18 HD3 LYS 18 6.036 -7.567 -2.542
145 1HE LYS 18 HE2 LYS 18 4.978 -7.009 -4.737
146 2HE LYS 18 HE3 LYS 18 3.800 -7.837 -3.640
147 1HZ LYS 18 HZ1 LYS 18 3.987 -4.908 -4.117
148 2HZ LYS 18 HZ2 LYS 18 2.831 -5.969 -4.769
149 3HZ LYS 18 HZ3 LYS 18 2.880 -5.691 -3.094
150 H GLU 19 HN GLU 19 5.059 -4.836 3.197
151 HA GLU 19 HA GLU 19 6.718 -6.583 4.856
152 1HB GLU 19 HB2 GLU 19 7.222 -4.164 4.587
153 2HB GLU 19 HB3 GLU 19 5.696 -3.752 5.421
154 1HG GLU 19 HG2 GLU 19 6.559 -4.880 7.519
155 2HG GLU 19 HG3 GLU 19 8.048 -5.369 6.625
156 H LEU 20 HN LEU 20 3.363 -5.710 4.433
157 HA LEU 20 HA LEU 20 2.447 -6.693 7.020
158 1HB LEU 20 HB2 LEU 20 1.109 -5.374 4.594
159 2HB LEU 20 HB3 LEU 20 0.130 -6.055 5.965
160 HG LEU 20 HG LEU 20 2.045 -3.707 6.054
161 1HD1 LEU 20 HD13 LEU 20 -0.153 -3.276 5.015
162 2HD1 LEU 20 HD11 LEU 20 -0.991 -3.912 6.479
163 3HD1 LEU 20 HD12 LEU 20 0.009 -2.413 6.590
164 1HD2 LEU 20 HD21 LEU 20 0.511 -5.014 8.392
165 2HD2 LEU 20 HD22 LEU 20 2.305 -4.899 8.217
166 3HD2 LEU 20 HD23 LEU 20 1.330 -3.409 8.450
167 H TYR 21 HN TYR 21 1.537 -7.282 3.583
168 HA TYR 21 HA TYR 21 0.270 -9.788 4.259
169 1HB TYR 21 HB2 TYR 21 0.048 -7.901 1.846
170 2HB TYR 21 HB3 TYR 21 -0.820 -9.478 1.966
171 HD1 TYR 21 HD1 TYR 21 -2.522 -9.880 3.581
172 HD2 TYR 21 HD2 TYR 21 -0.643 -6.014 3.386
173 HE1 TYR 21 HE1 TYR 21 -4.337 -8.932 4.954
174 HE2 TYR 21 HE2 TYR 21 -2.449 -5.069 4.773
175 HH TYR 21 HH TYR 21 -4.364 -5.468 5.893
176 H GLY 22 HN GLY 22 3.311 -8.827 2.996
177 1HA GLY 22 HA1 GLY 22 4.959 -10.292 2.880
178 2HA GLY 22 HA2 GLY 22 3.851 -11.639 2.478
179 H SER 23 HN SER 23 2.905 -11.597 0.262
180 HA SER 23 HA SER 23 4.462 -10.326 -1.832
181 1HB SER 23 HB2 SER 23 4.304 -13.404 -1.522
182 2HB SER 23 HB3 SER 23 4.877 -12.545 -3.006
183 HG SER 23 HG SER 23 6.009 -12.356 -0.424
184 H SER 24 HN SER 24 1.648 -11.517 -0.366
185 HA SER 24 HA SER 24 0.055 -11.539 -2.842
186 1HB SER 24 HB2 SER 24 -0.054 -13.579 -1.357
187 2HB SER 24 HB3 SER 24 -0.681 -12.560 -0.023
188 HG SER 24 HG SER 24 -2.417 -12.026 -1.455
189 H ALA 25 HN ALA 25 0.648 -9.110 -2.754
190 HA ALA 25 HA ALA 25 -1.105 -7.585 -0.941
191 1HB ALA 25 HB2 ALA 25 1.761 -6.971 -1.913
192 2HB ALA 25 HB3 ALA 25 0.710 -5.784 -1.081
193 3HB ALA 25 HB1 ALA 25 1.235 -7.280 -0.221
194 H GLY 26 HN GLY 26 -2.627 -6.514 -2.070
195 1HA GLY 26 HA1 GLY 26 -2.150 -5.725 -4.867
196 2HA GLY 26 HA2 GLY 26 -3.703 -5.843 -3.951
197 H ALA 27 HN ALA 27 -0.726 -3.997 -4.449
198 HA ALA 27 HA ALA 27 -1.373 -2.071 -2.375
199 1HB ALA 27 HB3 ALA 27 1.109 -2.505 -4.152
200 2HB ALA 27 HB1 ALA 27 0.963 -1.246 -2.867
201 3HB ALA 27 HB2 ALA 27 0.906 -2.987 -2.435
202 H LYS 28 HN LYS 28 -2.638 -0.371 -2.912
203 HA LYS 28 HA LYS 28 -2.513 0.835 -5.606
204 1HB LYS 28 HB2 LYS 28 -4.957 0.603 -3.727
205 2HB LYS 28 HB3 LYS 28 -4.960 1.169 -5.447
206 1HG LYS 28 HG2 LYS 28 -4.157 -1.213 -6.042
207 2HG LYS 28 HG3 LYS 28 -4.508 -1.641 -4.320
208 1HD LYS 28 HD2 LYS 28 -6.896 -1.094 -4.629
209 2HD LYS 28 HD3 LYS 28 -6.575 -0.433 -6.266
210 1HE LYS 28 HE2 LYS 28 -7.599 -2.711 -6.400
211 2HE LYS 28 HE3 LYS 28 -5.935 -2.688 -7.113
212 1HZ LYS 28 HZ1 LYS 28 -5.101 -3.618 -5.065
213 2HZ LYS 28 HZ2 LYS 28 -6.659 -3.640 -4.392
214 3HZ LYS 28 HZ3 LYS 28 -6.304 -4.606 -5.744
215 H CYS 29 HN CYS 29 -2.457 3.156 -5.478
216 HA CYS 29 HA CYS 29 -2.433 4.264 -2.738
217 1HB CYS 29 HB2 CYS 29 -0.056 3.673 -3.964
218 2HB CYS 29 HB3 CYS 29 -0.250 5.359 -4.489
219 H MET 30 HN MET 30 -4.002 5.638 -2.669
220 HA MET 30 HA MET 30 -4.734 7.235 -5.030
221 1HB MET 30 HB2 MET 30 -6.457 5.895 -2.862
222 2HB MET 30 HB3 MET 30 -7.123 7.067 -4.039
223 1HG MET 30 HG2 MET 30 -5.893 4.326 -4.629
224 2HG MET 30 HG3 MET 30 -7.615 4.788 -4.709
225 1HE MET 30 HE3 MET 30 -8.704 6.319 -6.446
226 2HE MET 30 HE1 MET 30 -7.555 7.678 -6.181
227 3HE MET 30 HE2 MET 30 -7.880 7.091 -7.844
228 H ASN 31 HN ASN 31 -4.549 9.546 -4.552
229 HA ASN 31 HA ASN 31 -4.794 11.420 -3.564
230 1HB ASN 31 HB2 ASN 31 -5.968 10.057 -1.088
231 2HB ASN 31 HB3 ASN 31 -6.034 11.814 -1.472
232 1HD2 ASN 31 HD22 ASN 31 -8.366 11.414 -4.257
233 2HD2 ASN 31 HD21 ASN 31 -6.924 12.275 -3.833
234 H GLY 32 HN GLY 32 -2.553 9.215 -2.454
235 1HA GLY 32 HA1 GLY 32 -0.501 9.649 -1.722
236 2HA GLY 32 HA2 GLY 32 -1.020 11.185 -0.951
237 H LYS 33 HN LYS 33 -2.510 7.885 -0.683
238 HA LYS 33 HA LYS 33 -1.205 7.213 1.816
239 1HB LYS 33 HB2 LYS 33 -4.199 7.874 1.616
240 2HB LYS 33 HB3 LYS 33 -3.665 6.589 2.742
241 1HG LYS 33 HG2 LYS 33 -2.673 7.938 4.223
242 2HG LYS 33 HG3 LYS 33 -2.155 9.170 3.058
243 1HD LYS 33 HD2 LYS 33 -5.121 8.828 3.822
244 2HD LYS 33 HD3 LYS 33 -3.960 9.774 4.810
245 1HE LYS 33 HE2 LYS 33 -5.142 11.350 3.403
246 2HE LYS 33 HE3 LYS 33 -3.432 11.245 2.821
247 1HZ LYS 33 HZ1 LYS 33 -5.791 9.897 1.616
248 2HZ LYS 33 HZ2 LYS 33 -4.999 11.279 1.028
249 3HZ LYS 33 HZ3 LYS 33 -4.189 9.787 1.065
250 H CYS 34 HN CYS 34 -1.684 4.904 2.187
251 HA CYS 34 HA CYS 34 -1.751 3.533 -0.402
252 1HB CYS 34 HB2 CYS 34 0.352 3.633 0.846
253 2HB CYS 34 HB3 CYS 34 -0.459 3.066 2.327
254 H LYS 35 HN LYS 35 -2.702 1.411 -0.593
255 HA LYS 35 HA LYS 35 -4.631 0.580 1.452
256 1HB LYS 35 HB2 LYS 35 -4.971 0.810 -1.612
257 2HB LYS 35 HB3 LYS 35 -6.015 -0.215 -0.570
258 1HG LYS 35 HG2 LYS 35 -6.588 1.795 0.784
259 2HG LYS 35 HG3 LYS 35 -5.741 2.845 -0.405
260 1HD LYS 35 HD2 LYS 35 -8.015 0.893 -1.103
261 2HD LYS 35 HD3 LYS 35 -8.288 2.627 -0.677
262 1HE LYS 35 HE2 LYS 35 -6.868 3.313 -2.655
263 2HE LYS 35 HE3 LYS 35 -6.683 1.567 -3.102
264 1HZ LYS 35 HZ2 LYS 35 -9.245 3.052 -2.908
265 2HZ LYS 35 HZ3 LYS 35 -8.426 2.626 -4.333
266 3HZ LYS 35 HZ1 LYS 35 -9.061 1.416 -3.325
267 H CYS 36 HN CYS 36 -4.431 -1.559 1.879
268 HA CYS 36 HA CYS 36 -2.646 -3.193 0.157
269 1HB CYS 36 HB2 CYS 36 -2.894 -3.413 3.214
270 2HB CYS 36 HB3 CYS 36 -1.822 -4.385 2.044
271 H TYR 37 HN TYR 37 -3.788 -4.685 -0.848
272 HA TYR 37 HA TYR 37 -6.126 -5.918 0.417
273 1HB TYR 37 HB2 TYR 37 -5.334 -5.251 -2.500
274 2HB TYR 37 HB3 TYR 37 -6.705 -6.317 -2.075
275 HD1 TYR 37 HD2 TYR 37 -8.430 -5.361 -0.366
276 HD2 TYR 37 HD1 TYR 37 -5.721 -2.843 -2.582
277 HE1 TYR 37 HE2 TYR 37 -9.931 -3.433 -0.042
278 HE2 TYR 37 HE1 TYR 37 -7.264 -0.973 -2.375
279 HH TYR 37 HH TYR 37 -10.367 -1.314 -0.530
280 H ASN 38 HN ASN 38 -6.186 -8.123 -1.344
281 HA ASN 38 HA ASN 38 -3.634 -9.543 -0.857
282 1HB ASN 38 HB2 ASN 38 -6.514 -10.521 -0.318
283 2HB ASN 38 HB3 ASN 38 -5.096 -11.629 -0.468
284 1HD2 ASN 38 HD22 ASN 38 -5.670 -9.486 2.999
285 2HD2 ASN 38 HD21 ASN 38 -6.729 -9.301 1.640
286 H ASN 39 HN ASN 39 -2.987 -9.159 -3.007
287 HA ASN 39 HA ASN 39 -4.382 -10.812 -5.001
288 1HB ASN 39 HB2 ASN 39 -3.340 -7.942 -5.466
289 2HB ASN 39 HB3 ASN 39 -3.761 -9.111 -6.770
290 1HD2 ASN 39 HD22 ASN 39 -6.703 -6.887 -5.032
291 2HD2 ASN 39 HD21 ASN 39 -5.014 -6.615 -4.761
292 1H NH2 40 HT1 ASN 39 -1.133 -12.185 -5.025
293 2H NH2 40 HT2 ASN 39 -2.817 -12.427 -4.695
No H/Q in entry = 293
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