Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1721 | 1av3 RC | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 3H CYS 1 -1.548 12.793 -5.340
2 2H CYS 1 2H CYS 1 -0.406 13.337 -4.206
3 3H CYS 1 1H CYS 1 0.003 12.108 -5.306
4 HA CYS 1 HA CYS 1 -0.389 11.122 -3.186
5 1HB CYS 1 2HB CYS 1 -2.082 11.820 -1.821
6 2HB CYS 1 1HB CYS 1 -2.148 13.206 -2.851
7 H ARG 2 H ARG 2 -0.565 9.048 -3.742
8 HA ARG 2 HA ARG 2 -1.891 8.224 -6.197
9 1HB ARG 2 2HB ARG 2 0.296 7.339 -5.340
10 2HB ARG 2 1HB ARG 2 -0.551 6.530 -4.052
11 1HG ARG 2 2HG ARG 2 -0.838 4.748 -5.382
12 2HG ARG 2 1HG ARG 2 -1.938 5.684 -6.366
13 1HD ARG 2 2HD ARG 2 -0.442 5.852 -8.080
14 2HD ARG 2 1HD ARG 2 0.899 6.261 -7.025
15 HE ARG 2 HE ARG 2 0.138 3.555 -7.898
16 1HH1 ARG 2 2HH1 ARG 2 0.598 2.588 -5.458
17 2HH1 ARG 2 1HH1 ARG 2 2.300 2.663 -5.140
18 1HH2 ARG 2 1HH2 ARG 2 2.885 4.985 -7.687
19 2HH2 ARG 2 2HH2 ARG 2 3.622 4.047 -6.429
20 H ILE 3 H ILE 3 -3.793 7.272 -6.464
21 HA ILE 3 HA ILE 3 -5.820 7.367 -4.533
22 HB ILE 3 HB ILE 3 -7.122 6.059 -6.234
23 1HG1 ILE 3 2HG1 ILE 3 -4.430 5.832 -7.676
24 2HG1 ILE 3 1HG1 ILE 3 -5.326 4.505 -6.965
25 1HG2 ILE 3 2HG2 ILE 3 -6.615 8.576 -6.390
26 2HG2 ILE 3 1HG2 ILE 3 -5.387 8.166 -7.575
27 3HG2 ILE 3 3HG2 ILE 3 -7.076 7.806 -7.894
28 1HD1 ILE 3 3HD1 ILE 3 -7.263 5.087 -8.513
29 2HD1 ILE 3 2HD1 ILE 3 -6.170 6.195 -9.337
30 3HD1 ILE 3 1HD1 ILE 3 -5.828 4.476 -9.316
31 HA HYP 4 HA HYP 4 -5.808 3.495 -2.241
32 1HB HYP 4 1HB HYP 4 -7.919 3.165 -1.444
33 2HB HYP 4 2HB HYP 4 -8.631 3.104 -3.045
34 1HD HYP 4 1HD1 HYP 4 -7.031 6.803 -2.834
35 2HD HYP 4 2HD1 HYP 4 -7.976 6.177 -4.196
36 HOD HYP 4 HD2 HYP 4 -7.053 5.201 -0.869
37 HG HYP 4 HG HYP 4 -9.399 5.296 -2.480
38 H ASN 5 H ASN 5 -6.269 1.242 -2.485
39 HA ASN 5 HA ASN 5 -5.820 -0.770 -3.480
40 1HB ASN 5 2HB ASN 5 -7.443 -1.436 -5.147
41 2HB ASN 5 1HB ASN 5 -8.231 -0.326 -4.050
42 1HD2 ASN 5 2HD2 ASN 5 -9.055 1.960 -6.574
43 2HD2 ASN 5 1HD2 ASN 5 -9.215 1.486 -4.952
44 H GLN 6 H GLN 6 -4.297 1.730 -4.680
45 HA GLN 6 HA GLN 6 -3.425 0.642 -7.261
46 1HB GLN 6 2HB GLN 6 -3.678 3.200 -6.406
47 2HB GLN 6 1HB GLN 6 -2.032 2.945 -5.883
48 1HG GLN 6 2HG GLN 6 -1.928 3.840 -8.107
49 2HG GLN 6 1HG GLN 6 -1.514 2.138 -8.253
50 1HE2 GLN 6 2HE2 GLN 6 -3.896 2.696 -10.965
51 2HE2 GLN 6 1HE2 GLN 6 -2.274 3.025 -10.589
52 H LYS 7 H LYS 7 -1.736 -0.628 -7.510
53 HA LYS 7 HA LYS 7 -0.450 -2.018 -5.500
54 1HB LYS 7 2HB LYS 7 -0.367 -2.063 -8.251
55 2HB LYS 7 1HB LYS 7 1.259 -1.529 -7.905
56 1HG LYS 7 2HG LYS 7 -0.036 -3.964 -6.594
57 2HG LYS 7 1HG LYS 7 0.948 -4.061 -8.033
58 1HD LYS 7 2HD LYS 7 2.046 -2.753 -5.502
59 2HD LYS 7 1HD LYS 7 2.079 -4.486 -5.702
60 1HE LYS 7 2HE LYS 7 3.206 -2.663 -7.861
61 2HE LYS 7 1HE LYS 7 4.168 -3.149 -6.474
62 1HZ LYS 7 1HZ LYS 7 3.770 -5.445 -7.025
63 2HZ LYS 7 3HZ LYS 7 2.829 -4.993 -8.364
64 3HZ LYS 7 2HZ LYS 7 4.487 -4.628 -8.329
65 H CYS 8 H CYS 8 0.452 -1.101 -3.835
66 HA CYS 8 HA CYS 8 2.825 0.666 -4.224
67 1HB CYS 8 2HB CYS 8 2.142 1.963 -2.269
68 2HB CYS 8 1HB CYS 8 0.944 2.045 -3.523
69 H PHE 9 H PHE 9 4.473 0.356 -2.858
70 HA PHE 9 HA PHE 9 4.502 -2.205 -1.393
71 1HB PHE 9 2HB PHE 9 6.449 -0.652 -2.844
72 2HB PHE 9 1HB PHE 9 7.004 -0.726 -1.183
73 HD1 PHE 9 HD2 PHE 9 6.159 -2.726 -4.159
74 HD2 PHE 9 HD1 PHE 9 7.629 -2.860 -0.158
75 HE1 PHE 9 HE2 PHE 9 6.928 -5.027 -4.517
76 HE2 PHE 9 HE1 PHE 9 8.396 -5.162 -0.521
77 HZ PHE 9 HZ PHE 9 8.048 -6.249 -2.701
78 H GLN 10 H GLN 10 4.585 -2.385 0.725
79 HA GLN 10 HA GLN 10 3.635 -0.408 2.436
80 1HB GLN 10 2HB GLN 10 5.356 -2.800 3.207
81 2HB GLN 10 1HB GLN 10 4.224 -1.964 4.251
82 1HG GLN 10 2HG GLN 10 2.574 -2.608 2.102
83 2HG GLN 10 1HG GLN 10 3.704 -3.949 2.061
84 1HE2 GLN 10 2HE2 GLN 10 0.709 -4.328 4.502
85 2HE2 GLN 10 1HE2 GLN 10 0.749 -3.514 3.014
86 H HIS 11 H HIS 11 6.836 -1.213 1.459
87 HA HIS 11 HA HIS 11 8.306 0.234 3.458
88 1HB HIS 11 2HB HIS 11 9.048 -1.582 1.604
89 2HB HIS 11 1HB HIS 11 9.443 -0.139 0.683
90 HD1 HIS 11 HD1 HIS 11 11.138 1.512 2.001
91 HD2 HIS 11 HD2 HIS 11 10.823 -2.232 3.582
92 HE1 HIS 11 HE1 HIS 11 13.079 1.234 3.498
93 H LEU 12 H LEU 12 6.967 1.056 0.349
94 HA LEU 12 HA LEU 12 7.553 3.946 0.845
95 1HB LEU 12 2HB LEU 12 7.939 4.202 -1.604
96 2HB LEU 12 1HB LEU 12 9.114 3.156 -0.854
97 HG LEU 12 HG LEU 12 6.839 1.536 -1.765
98 1HD1 LEU 12 1HD1 LEU 12 6.558 3.423 -3.418
99 2HD1 LEU 12 3HD1 LEU 12 8.210 3.157 -3.948
100 3HD1 LEU 12 2HD1 LEU 12 6.999 1.905 -4.177
101 1HD2 LEU 12 3HD2 LEU 12 9.764 1.655 -2.624
102 2HD2 LEU 12 2HD2 LEU 12 9.100 0.631 -1.362
103 3HD2 LEU 12 1HD2 LEU 12 8.648 0.364 -3.034
104 H ASP 13 H ASP 13 5.346 3.322 1.798
105 HA ASP 13 HA ASP 13 3.079 3.042 0.031
106 1HB ASP 13 2HB ASP 13 1.788 3.847 2.142
107 2HB ASP 13 1HB ASP 13 2.720 2.376 2.308
108 H ASP 14 H ASP 14 3.226 4.507 -1.538
109 HA ASP 14 HA ASP 14 3.458 7.387 -1.038
110 1HB ASP 14 2HB ASP 14 3.482 7.426 -3.555
111 2HB ASP 14 1HB ASP 14 4.721 6.390 -2.872
112 H CYS 15 H CYS 15 1.005 5.482 -0.530
113 HA CYS 15 HA CYS 15 -1.126 6.453 -2.157
114 1HB CYS 15 2HB CYS 15 -1.371 5.374 0.641
115 2HB CYS 15 1HB CYS 15 -2.533 5.293 -0.648
116 H CYS 16 H CYS 16 -2.906 7.661 -1.498
117 HA CYS 16 HA CYS 16 -2.268 10.253 -0.461
118 1HB CYS 16 2HB CYS 16 -4.257 9.262 -2.011
119 2HB CYS 16 1HB CYS 16 -5.102 9.226 -0.492
120 H SER 17 H SER 17 -3.666 7.350 0.804
121 HA SER 17 HA SER 17 -4.148 8.399 3.498
122 1HB SER 17 2HB SER 17 -5.075 6.104 3.843
123 2HB SER 17 1HB SER 17 -5.756 6.800 2.370
124 HG SER 17 HG SER 17 -4.680 4.598 2.333
125 H ARG 18 H ARG 18 -1.621 7.113 1.747
126 HA ARG 18 HA ARG 18 0.478 6.259 2.225
127 1HB ARG 18 2HB ARG 18 -0.248 7.867 4.699
128 2HB ARG 18 1HB ARG 18 1.198 6.886 4.764
129 1HG ARG 18 2HG ARG 18 2.100 7.984 2.765
130 2HG ARG 18 1HG ARG 18 0.622 8.909 2.567
131 1HD ARG 18 2HD ARG 18 2.422 9.064 5.025
132 2HD ARG 18 1HD ARG 18 2.445 10.227 3.708
133 HE ARG 18 HE ARG 18 0.286 9.901 5.706
134 1HH1 ARG 18 2HH1 ARG 18 -0.950 10.274 3.047
135 2HH1 ARG 18 1HH1 ARG 18 -1.049 11.999 2.904
136 1HH2 ARG 18 1HH2 ARG 18 1.263 12.533 5.486
137 2HH2 ARG 18 2HH2 ARG 18 0.242 13.314 4.324
138 H LYS 19 H LYS 19 -1.973 4.712 2.765
139 HA LYS 19 HA LYS 19 -0.852 2.638 4.587
140 1HB LYS 19 2HB LYS 19 -3.610 3.796 4.282
141 2HB LYS 19 1HB LYS 19 -3.481 2.087 4.613
142 1HG LYS 19 2HG LYS 19 -1.914 4.071 6.293
143 2HG LYS 19 1HG LYS 19 -3.614 3.819 6.617
144 1HD LYS 19 2HD LYS 19 -1.774 1.415 6.384
145 2HD LYS 19 1HD LYS 19 -1.812 2.335 7.873
146 1HE LYS 19 2HE LYS 19 -4.163 1.889 8.206
147 2HE LYS 19 1HE LYS 19 -4.350 1.249 6.579
148 1HZ LYS 19 2HZ LYS 19 -2.485 0.023 8.497
149 2HZ LYS 19 1HZ LYS 19 -4.135 -0.383 8.479
150 3HZ LYS 19 3HZ LYS 19 -3.179 -0.654 7.101
151 H CYS 20 H CYS 20 -0.357 0.837 3.584
152 HA CYS 20 HA CYS 20 -1.700 0.125 1.042
153 1HB CYS 20 2HB CYS 20 1.155 -0.218 2.016
154 2HB CYS 20 1HB CYS 20 0.529 -1.024 0.614
155 H ASN 21 H ASN 21 -2.941 -1.580 1.343
156 HA ASN 21 HA ASN 21 -2.948 -3.167 3.743
157 1HB ASN 21 2HB ASN 21 -4.673 -4.556 2.363
158 2HB ASN 21 1HB ASN 21 -5.060 -2.879 2.671
159 1HD2 ASN 21 2HD2 ASN 21 -3.602 -3.577 -1.104
160 2HD2 ASN 21 1HD2 ASN 21 -2.772 -4.181 0.245
161 H ARG 22 H ARG 22 -3.204 -5.620 3.446
162 HA ARG 22 HA ARG 22 -0.704 -6.765 3.091
163 1HB ARG 22 2HB ARG 22 -1.912 -8.906 3.412
164 2HB ARG 22 1HB ARG 22 -2.455 -7.679 4.537
165 1HG ARG 22 2HG ARG 22 -4.358 -7.169 2.863
166 2HG ARG 22 1HG ARG 22 -3.861 -8.611 2.003
167 1HD ARG 22 2HD ARG 22 -4.236 -9.089 4.914
168 2HD ARG 22 1HD ARG 22 -5.692 -8.540 4.099
169 HE ARG 22 HE ARG 22 -5.689 -10.523 2.782
170 1HH1 ARG 22 2HH1 ARG 22 -2.772 -10.649 2.220
171 2HH1 ARG 22 1HH1 ARG 22 -2.279 -12.059 3.101
172 1HH2 ARG 22 1HH2 ARG 22 -5.197 -12.102 5.043
173 2HH2 ARG 22 2HH2 ARG 22 -3.689 -12.902 4.745
174 H PHE 23 H PHE 23 -3.049 -6.052 0.687
175 HA PHE 23 HA PHE 23 -2.106 -8.064 -1.224
176 1HB PHE 23 2HB PHE 23 -4.087 -5.797 -1.660
177 2HB PHE 23 1HB PHE 23 -3.927 -7.286 -2.565
178 HD1 PHE 23 HD1 PHE 23 -4.253 -9.520 -1.206
179 HD2 PHE 23 HD2 PHE 23 -5.659 -5.716 0.106
180 HE1 PHE 23 HE1 PHE 23 -5.848 -10.624 0.296
181 HE2 PHE 23 HE2 PHE 23 -7.251 -6.824 1.606
182 HZ PHE 23 HZ PHE 23 -7.349 -9.279 1.705
183 H ASN 24 H ASN 24 -0.583 -5.643 -0.109
184 HA ASN 24 HA ASN 24 0.927 -4.047 -0.806
185 1HB ASN 24 2HB ASN 24 1.086 -5.943 -3.218
186 2HB ASN 24 1HB ASN 24 2.308 -4.756 -2.789
187 1HD2 ASN 24 2HD2 ASN 24 1.904 -8.106 -0.442
188 2HD2 ASN 24 1HD2 ASN 24 0.586 -7.592 -1.379
189 H LYS 25 H LYS 25 -1.703 -3.500 -1.338
190 HA LYS 25 HA LYS 25 -1.514 -1.653 -3.668
191 1HB LYS 25 2HB LYS 25 -3.630 -3.644 -2.863
192 2HB LYS 25 1HB LYS 25 -4.177 -2.118 -3.506
193 1HG LYS 25 2HG LYS 25 -2.774 -2.496 -5.542
194 2HG LYS 25 1HG LYS 25 -2.177 -3.995 -4.862
195 1HD LYS 25 2HD LYS 25 -5.152 -3.494 -5.311
196 2HD LYS 25 1HD LYS 25 -4.122 -4.155 -6.565
197 1HE LYS 25 2HE LYS 25 -3.447 -5.998 -4.936
198 2HE LYS 25 1HE LYS 25 -4.681 -5.386 -3.841
199 1HZ LYS 25 2HZ LYS 25 -6.307 -5.697 -5.628
200 2HZ LYS 25 1HZ LYS 25 -5.102 -6.426 -6.575
201 3HZ LYS 25 3HZ LYS 25 -5.582 -7.144 -5.113
202 H CYS 26 H CYS 26 -2.971 0.295 -3.307
203 HA CYS 26 HA CYS 26 -2.525 1.260 -0.623
204 1HB CYS 26 2HB CYS 26 -3.927 2.382 -3.035
205 2HB CYS 26 1HB CYS 26 -3.825 3.246 -1.533
206 H VAL 27 H VAL 27 -4.297 2.442 0.468
207 HA VAL 27 HA VAL 27 -6.830 0.855 0.547
208 HB VAL 27 HB VAL 27 -5.322 1.981 2.949
209 1HG1 VAL 27 1HG1 VAL 27 -7.705 0.085 2.650
210 2HG1 VAL 27 3HG1 VAL 27 -6.850 0.312 4.167
211 3HG1 VAL 27 2HG1 VAL 27 -7.707 1.659 3.435
212 1HG2 VAL 27 1HG2 VAL 27 -5.372 -0.850 1.813
213 2HG2 VAL 27 3HG2 VAL 27 -3.959 0.175 1.958
214 3HG2 VAL 27 2HG2 VAL 27 -4.729 -0.455 3.399
No H/Q in entry = 214
Start of MODEL 2
1 1H CYS 1 2H CYS 1 -1.789 12.648 -5.744
2 2H CYS 1 1H CYS 1 -0.810 13.461 -4.618
3 3H CYS 1 3H CYS 1 -0.108 12.415 -5.758
4 HA CYS 1 HA CYS 1 -0.124 11.224 -3.768
5 1HB CYS 1 2HB CYS 1 -1.830 11.306 -2.207
6 2HB CYS 1 1HB CYS 1 -1.970 12.900 -2.881
7 H ARG 2 H ARG 2 -0.508 8.994 -3.820
8 HA ARG 2 HA ARG 2 -1.510 7.974 -6.352
9 1HB ARG 2 2HB ARG 2 0.464 7.068 -4.941
10 2HB ARG 2 1HB ARG 2 -0.743 6.351 -3.907
11 1HG ARG 2 2HG ARG 2 -0.398 4.564 -5.284
12 2HG ARG 2 1HG ARG 2 -1.699 5.337 -6.169
13 1HD ARG 2 2HD ARG 2 1.232 5.941 -6.765
14 2HD ARG 2 1HD ARG 2 0.364 4.628 -7.548
15 HE ARG 2 HE ARG 2 -1.320 6.461 -8.242
16 1HH1 ARG 2 1HH2 ARG 2 0.515 8.498 -6.830
17 2HH1 ARG 2 2HH2 ARG 2 1.309 9.212 -8.195
18 1HH2 ARG 2 2HH1 ARG 2 0.309 6.644 -10.364
19 2HH2 ARG 2 1HH1 ARG 2 1.189 8.131 -10.254
20 H ILE 3 H ILE 3 -3.412 7.114 -6.790
21 HA ILE 3 HA ILE 3 -5.667 7.541 -5.140
22 HB ILE 3 HB ILE 3 -6.877 6.423 -6.987
23 1HG1 ILE 3 2HG1 ILE 3 -4.121 5.414 -7.834
24 2HG1 ILE 3 1HG1 ILE 3 -5.459 4.432 -7.271
25 1HG2 ILE 3 2HG2 ILE 3 -5.565 8.729 -7.244
26 2HG2 ILE 3 1HG2 ILE 3 -4.574 7.820 -8.370
27 3HG2 ILE 3 3HG2 ILE 3 -6.299 7.996 -8.653
28 1HD1 ILE 3 3HD1 ILE 3 -6.581 5.850 -9.421
29 2HD1 ILE 3 2HD1 ILE 3 -4.955 5.464 -9.958
30 3HD1 ILE 3 1HD1 ILE 3 -6.042 4.184 -9.440
31 HA HYP 4 HA HYP 4 -5.977 3.982 -2.544
32 1HB HYP 4 1HB HYP 4 -8.082 4.097 -1.721
33 2HB HYP 4 2HB HYP 4 -8.726 3.284 -3.138
34 1HD HYP 4 1HD1 HYP 4 -7.308 7.108 -3.704
35 2HD HYP 4 2HD1 HYP 4 -7.949 6.350 -5.168
36 HOD HYP 4 HD2 HYP 4 -9.751 6.694 -2.274
37 HG HYP 4 HG HYP 4 -9.623 5.324 -3.881
38 H ASN 5 H ASN 5 -6.315 1.696 -2.515
39 HA ASN 5 HA ASN 5 -5.854 -0.412 -3.303
40 1HB ASN 5 2HB ASN 5 -7.567 -1.281 -4.616
41 2HB ASN 5 1HB ASN 5 -8.307 0.230 -4.150
42 1HD2 ASN 5 2HD2 ASN 5 -8.478 1.472 -7.450
43 2HD2 ASN 5 1HD2 ASN 5 -8.746 1.792 -5.805
44 H GLN 6 H GLN 6 -4.391 2.049 -4.751
45 HA GLN 6 HA GLN 6 -3.458 0.728 -7.178
46 1HB GLN 6 2HB GLN 6 -3.708 3.299 -6.651
47 2HB GLN 6 1HB GLN 6 -2.141 3.123 -5.894
48 1HG GLN 6 2HG GLN 6 -1.706 3.778 -8.164
49 2HG GLN 6 1HG GLN 6 -1.330 2.064 -8.096
50 1HE2 GLN 6 2HE2 GLN 6 -3.293 2.399 -11.146
51 2HE2 GLN 6 1HE2 GLN 6 -1.733 2.742 -10.571
52 H LYS 7 H LYS 7 -1.547 -0.226 -7.509
53 HA LYS 7 HA LYS 7 -0.297 -1.713 -5.515
54 1HB LYS 7 2HB LYS 7 -0.098 -2.099 -7.987
55 2HB LYS 7 1HB LYS 7 0.980 -0.725 -8.087
56 1HG LYS 7 2HG LYS 7 2.737 -2.084 -7.598
57 2HG LYS 7 1HG LYS 7 2.080 -2.338 -6.000
58 1HD LYS 7 2HD LYS 7 2.264 -4.511 -6.825
59 2HD LYS 7 1HD LYS 7 0.569 -4.142 -7.064
60 1HE LYS 7 2HE LYS 7 0.796 -3.971 -9.406
61 2HE LYS 7 1HE LYS 7 2.486 -3.500 -9.327
62 1HZ LYS 7 2HZ LYS 7 2.909 -5.811 -8.486
63 2HZ LYS 7 1HZ LYS 7 1.329 -6.185 -8.987
64 3HZ LYS 7 3HZ LYS 7 2.477 -5.655 -10.121
65 H CYS 8 H CYS 8 0.808 -1.096 -3.844
66 HA CYS 8 HA CYS 8 2.902 0.998 -4.072
67 1HB CYS 8 2HB CYS 8 2.150 1.985 -1.951
68 2HB CYS 8 1HB CYS 8 0.991 2.168 -3.232
69 H PHE 9 H PHE 9 4.476 0.894 -2.470
70 HA PHE 9 HA PHE 9 4.813 -1.827 -1.294
71 1HB PHE 9 2HB PHE 9 6.823 0.306 -2.098
72 2HB PHE 9 1HB PHE 9 7.266 -1.200 -1.299
73 HD1 PHE 9 HD1 PHE 9 5.640 0.201 -4.353
74 HD2 PHE 9 HD2 PHE 9 7.339 -3.256 -2.529
75 HE1 PHE 9 HE1 PHE 9 5.563 -0.970 -6.503
76 HE2 PHE 9 HE2 PHE 9 7.262 -4.425 -4.682
77 HZ PHE 9 HZ PHE 9 6.374 -3.288 -6.674
78 H GLN 10 H GLN 10 5.560 -2.103 0.767
79 HA GLN 10 HA GLN 10 4.563 -0.352 2.727
80 1HB GLN 10 2HB GLN 10 6.406 -2.748 2.749
81 2HB GLN 10 1HB GLN 10 6.047 -1.921 4.249
82 1HG GLN 10 2HG GLN 10 3.930 -2.781 4.382
83 2HG GLN 10 1HG GLN 10 3.576 -2.422 2.706
84 1HE2 GLN 10 2HE2 GLN 10 3.327 -6.003 2.709
85 2HE2 GLN 10 1HE2 GLN 10 2.434 -4.611 3.090
86 H HIS 11 H HIS 11 7.607 -0.774 1.209
87 HA HIS 11 HA HIS 11 9.187 0.917 2.965
88 1HB HIS 11 2HB HIS 11 9.639 -0.878 0.724
89 2HB HIS 11 1HB HIS 11 10.386 0.654 0.328
90 HD1 HIS 11 HD1 HIS 11 12.749 0.460 0.998
91 HD2 HIS 11 HD2 HIS 11 10.396 -1.354 3.798
92 HE1 HIS 11 HE1 HIS 11 14.265 -0.322 2.777
93 H LEU 12 H LEU 12 7.723 1.207 -0.208
94 HA LEU 12 HA LEU 12 7.970 4.195 -0.091
95 1HB LEU 12 2HB LEU 12 7.752 2.331 -2.503
96 2HB LEU 12 1HB LEU 12 7.827 4.078 -2.601
97 HG LEU 12 HG LEU 12 10.019 2.353 -1.339
98 1HD1 LEU 12 3HD1 LEU 12 9.801 1.911 -3.773
99 2HD1 LEU 12 2HD1 LEU 12 9.921 3.634 -4.100
100 3HD1 LEU 12 1HD1 LEU 12 11.289 2.768 -3.419
101 1HD2 LEU 12 1HD2 LEU 12 9.702 5.325 -1.861
102 2HD2 LEU 12 3HD2 LEU 12 10.334 4.516 -0.436
103 3HD2 LEU 12 2HD2 LEU 12 11.306 4.613 -1.891
104 H ASP 13 H ASP 13 6.099 3.854 1.328
105 HA ASP 13 HA ASP 13 3.523 3.184 0.047
106 1HB ASP 13 2HB ASP 13 2.623 3.824 2.387
107 2HB ASP 13 1HB ASP 13 3.706 2.449 2.339
108 H ASP 14 H ASP 14 3.714 4.778 -1.551
109 HA ASP 14 HA ASP 14 3.574 7.624 -0.844
110 1HB ASP 14 2HB ASP 14 3.561 7.823 -3.391
111 2HB ASP 14 1HB ASP 14 4.973 7.033 -2.725
112 H CYS 15 H CYS 15 1.338 5.538 -0.354
113 HA CYS 15 HA CYS 15 -0.874 6.228 -2.019
114 1HB CYS 15 2HB CYS 15 -0.769 5.124 0.772
115 2HB CYS 15 1HB CYS 15 -2.196 5.192 -0.220
116 H CYS 16 H CYS 16 -2.660 7.469 -1.586
117 HA CYS 16 HA CYS 16 -2.168 10.080 -0.497
118 1HB CYS 16 2HB CYS 16 -4.026 9.051 -2.189
119 2HB CYS 16 1HB CYS 16 -4.976 9.016 -0.735
120 H SER 17 H SER 17 -3.562 7.131 0.649
121 HA SER 17 HA SER 17 -4.361 8.141 3.270
122 1HB SER 17 2HB SER 17 -5.021 5.730 3.588
123 2HB SER 17 1HB SER 17 -5.702 6.354 2.084
124 HG SER 17 HG SER 17 -3.360 5.606 1.384
125 H ARG 18 H ARG 18 -1.677 6.786 1.683
126 HA ARG 18 HA ARG 18 0.471 6.303 2.300
127 1HB ARG 18 2HB ARG 18 -0.350 8.243 4.169
128 2HB ARG 18 1HB ARG 18 0.202 6.953 5.206
129 1HG ARG 18 2HG ARG 18 2.359 7.415 4.763
130 2HG ARG 18 1HG ARG 18 2.115 7.320 3.033
131 1HD ARG 18 2HD ARG 18 1.480 9.782 4.718
132 2HD ARG 18 1HD ARG 18 2.910 9.582 3.711
133 HE ARG 18 HE ARG 18 0.203 9.374 2.468
134 1HH1 ARG 18 1HH2 ARG 18 1.862 9.341 0.360
135 2HH1 ARG 18 2HH2 ARG 18 2.340 10.971 0.017
136 1HH2 ARG 18 2HH1 ARG 18 1.391 12.127 3.187
137 2HH2 ARG 18 1HH1 ARG 18 2.065 12.592 1.660
138 H LYS 19 H LYS 19 -2.140 4.701 3.233
139 HA LYS 19 HA LYS 19 -0.742 2.605 4.807
140 1HB LYS 19 2HB LYS 19 -3.631 3.483 4.535
141 2HB LYS 19 1HB LYS 19 -3.216 1.923 5.197
142 1HG LYS 19 2HG LYS 19 -2.151 2.849 7.099
143 2HG LYS 19 1HG LYS 19 -1.827 4.375 6.307
144 1HD LYS 19 2HD LYS 19 -3.561 4.948 7.774
145 2HD LYS 19 1HD LYS 19 -4.441 4.685 6.283
146 1HE LYS 19 2HE LYS 19 -5.116 2.446 7.021
147 2HE LYS 19 1HE LYS 19 -4.050 2.538 8.418
148 1HZ LYS 19 3HZ LYS 19 -6.113 4.587 8.044
149 2HZ LYS 19 2HZ LYS 19 -6.538 3.064 8.670
150 3HZ LYS 19 1HZ LYS 19 -5.388 4.023 9.474
151 H CYS 20 H CYS 20 -0.289 0.744 3.791
152 HA CYS 20 HA CYS 20 -1.705 0.041 1.280
153 1HB CYS 20 2HB CYS 20 1.173 -0.276 2.149
154 2HB CYS 20 1HB CYS 20 0.503 -1.087 0.770
155 H ASN 21 H ASN 21 -2.897 -1.703 1.535
156 HA ASN 21 HA ASN 21 -2.783 -3.400 3.872
157 1HB ASN 21 2HB ASN 21 -4.506 -4.781 2.522
158 2HB ASN 21 1HB ASN 21 -4.930 -3.113 2.855
159 1HD2 ASN 21 2HD2 ASN 21 -3.514 -3.684 -0.955
160 2HD2 ASN 21 1HD2 ASN 21 -2.623 -4.252 0.363
161 H ARG 22 H ARG 22 -2.913 -5.892 3.501
162 HA ARG 22 HA ARG 22 -0.355 -6.823 2.871
163 1HB ARG 22 2HB ARG 22 -1.230 -9.002 3.444
164 2HB ARG 22 1HB ARG 22 -1.975 -7.832 4.507
165 1HG ARG 22 2HG ARG 22 -4.003 -7.800 3.015
166 2HG ARG 22 1HG ARG 22 -3.261 -9.034 2.012
167 1HD ARG 22 2HD ARG 22 -4.606 -10.324 3.457
168 2HD ARG 22 1HD ARG 22 -3.040 -10.407 4.254
169 HE ARG 22 HE ARG 22 -4.542 -8.133 5.203
170 1HH1 ARG 22 2HH1 ARG 22 -6.293 -10.710 5.178
171 2HH1 ARG 22 1HH1 ARG 22 -6.089 -11.227 6.819
172 1HH2 ARG 22 1HH2 ARG 22 -3.352 -9.116 7.366
173 2HH2 ARG 22 2HH2 ARG 22 -4.386 -10.306 8.085
174 H PHE 23 H PHE 23 -2.870 -6.081 0.810
175 HA PHE 23 HA PHE 23 -2.244 -8.074 -1.276
176 1HB PHE 23 2HB PHE 23 -4.357 -5.964 -0.826
177 2HB PHE 23 1HB PHE 23 -4.012 -6.423 -2.482
178 HD1 PHE 23 HD2 PHE 23 -4.960 -7.812 0.842
179 HD2 PHE 23 HD1 PHE 23 -4.849 -8.455 -3.368
180 HE1 PHE 23 HE2 PHE 23 -6.343 -9.820 1.112
181 HE2 PHE 23 HE1 PHE 23 -6.234 -10.459 -3.099
182 HZ PHE 23 HZ PHE 23 -6.984 -11.148 -0.859
183 H ASN 24 H ASN 24 -0.666 -5.579 -0.180
184 HA ASN 24 HA ASN 24 0.867 -4.047 -0.961
185 1HB ASN 24 2HB ASN 24 0.924 -5.607 -3.590
186 2HB ASN 24 1HB ASN 24 2.265 -4.836 -2.760
187 1HD2 ASN 24 2HD2 ASN 24 1.895 -8.666 -2.193
188 2HD2 ASN 24 1HD2 ASN 24 1.488 -7.776 -3.579
189 H LYS 25 H LYS 25 -1.785 -3.464 -1.282
190 HA LYS 25 HA LYS 25 -1.765 -1.568 -3.576
191 1HB LYS 25 2HB LYS 25 -3.843 -3.551 -2.654
192 2HB LYS 25 1HB LYS 25 -4.390 -2.019 -3.265
193 1HG LYS 25 2HG LYS 25 -2.979 -2.458 -5.348
194 2HG LYS 25 1HG LYS 25 -2.611 -4.043 -4.699
195 1HD LYS 25 2HD LYS 25 -5.493 -3.114 -5.060
196 2HD LYS 25 1HD LYS 25 -4.603 -3.858 -6.373
197 1HE LYS 25 2HE LYS 25 -4.163 -5.848 -4.859
198 2HE LYS 25 1HE LYS 25 -5.209 -5.095 -3.659
199 1HZ LYS 25 3HZ LYS 25 -6.752 -4.996 -5.826
200 2HZ LYS 25 2HZ LYS 25 -5.888 -6.431 -6.116
201 3HZ LYS 25 1HZ LYS 25 -6.778 -6.250 -4.680
202 H CYS 26 H CYS 26 -3.102 0.399 -3.090
203 HA CYS 26 HA CYS 26 -2.613 1.255 -0.377
204 1HB CYS 26 2HB CYS 26 -4.143 2.517 -2.670
205 2HB CYS 26 1HB CYS 26 -3.811 3.315 -1.166
206 H VAL 27 H VAL 27 -4.328 2.337 0.844
207 HA VAL 27 HA VAL 27 -6.884 0.783 0.836
208 HB VAL 27 HB VAL 27 -5.346 1.736 3.293
209 1HG1 VAL 27 2HG1 VAL 27 -7.860 0.132 2.836
210 2HG1 VAL 27 1HG1 VAL 27 -6.835 -0.364 4.170
211 3HG1 VAL 27 3HG1 VAL 27 -7.481 1.264 4.125
212 1HG2 VAL 27 3HG2 VAL 27 -5.288 -0.970 1.893
213 2HG2 VAL 27 2HG2 VAL 27 -3.921 0.086 2.174
214 3HG2 VAL 27 1HG2 VAL 27 -4.682 -0.726 3.523
No H/Q in entry = 214
Start of MODEL 3
1 1H CYS 1 3H CYS 1 -0.727 12.754 -4.990
2 2H CYS 1 2H CYS 1 0.501 12.979 -3.838
3 3H CYS 1 1H CYS 1 0.624 11.724 -4.977
4 HA CYS 1 HA CYS 1 -0.006 10.818 -2.863
5 1HB CYS 1 2HB CYS 1 -1.559 11.858 -1.531
6 2HB CYS 1 1HB CYS 1 -1.321 13.221 -2.565
7 H ARG 2 H ARG 2 -0.412 8.876 -3.649
8 HA ARG 2 HA ARG 2 -1.880 8.408 -6.095
9 1HB ARG 2 2HB ARG 2 -0.227 6.837 -4.201
10 2HB ARG 2 1HB ARG 2 -1.458 5.898 -4.987
11 1HG ARG 2 2HG ARG 2 -0.087 7.651 -6.928
12 2HG ARG 2 1HG ARG 2 1.073 6.715 -6.028
13 1HD ARG 2 2HD ARG 2 0.565 4.843 -7.205
14 2HD ARG 2 1HD ARG 2 -1.134 4.966 -6.781
15 HE ARG 2 HE ARG 2 0.126 6.004 -9.237
16 1HH1 ARG 2 2HH1 ARG 2 -1.811 7.985 -8.009
17 2HH1 ARG 2 1HH1 ARG 2 -3.287 7.571 -8.815
18 1HH2 ARG 2 1HH2 ARG 2 -2.064 4.479 -9.913
19 2HH2 ARG 2 2HH2 ARG 2 -3.432 5.541 -9.919
20 H ILE 3 H ILE 3 -3.541 6.827 -6.375
21 HA ILE 3 HA ILE 3 -5.785 7.358 -4.636
22 HB ILE 3 HB ILE 3 -6.922 5.753 -6.311
23 1HG1 ILE 3 2HG1 ILE 3 -4.706 6.171 -8.259
24 2HG1 ILE 3 1HG1 ILE 3 -4.296 5.048 -6.985
25 1HG2 ILE 3 1HG2 ILE 3 -5.547 8.285 -7.297
26 2HG2 ILE 3 3HG2 ILE 3 -6.909 7.513 -8.096
27 3HG2 ILE 3 2HG2 ILE 3 -7.105 8.190 -6.490
28 1HD1 ILE 3 2HD1 ILE 3 -6.794 4.855 -8.695
29 2HD1 ILE 3 1HD1 ILE 3 -5.330 3.914 -8.936
30 3HD1 ILE 3 3HD1 ILE 3 -6.276 3.699 -7.473
31 HA HYP 4 HA HYP 4 -5.918 3.554 -2.195
32 1HB HYP 4 1HB HYP 4 -8.070 3.356 -1.399
33 2HB HYP 4 2HB HYP 4 -8.752 3.261 -3.011
34 1HD HYP 4 1HD1 HYP 4 -7.014 6.907 -2.874
35 2HD HYP 4 2HD1 HYP 4 -7.944 6.291 -4.251
36 HOD HYP 4 HD2 HYP 4 -8.616 5.304 -0.435
37 HG HYP 4 HG HYP 4 -9.452 5.492 -2.565
38 H ASN 5 H ASN 5 -6.248 1.359 -2.420
39 HA ASN 5 HA ASN 5 -5.976 -0.697 -3.373
40 1HB ASN 5 2HB ASN 5 -7.733 -1.330 -4.672
41 2HB ASN 5 1HB ASN 5 -8.326 0.273 -4.328
42 1HD2 ASN 5 2HD2 ASN 5 -8.575 -0.498 -7.996
43 2HD2 ASN 5 1HD2 ASN 5 -9.058 -1.330 -6.599
44 H GLN 6 H GLN 6 -4.583 1.926 -5.000
45 HA GLN 6 HA GLN 6 -3.564 0.495 -7.281
46 1HB GLN 6 2HB GLN 6 -3.735 2.998 -7.110
47 2HB GLN 6 1HB GLN 6 -2.442 2.990 -5.929
48 1HG GLN 6 2HG GLN 6 -1.544 3.473 -8.195
49 2HG GLN 6 1HG GLN 6 -0.916 1.940 -7.629
50 1HE2 GLN 6 2HE2 GLN 6 -3.636 2.027 -10.710
51 2HE2 GLN 6 1HE2 GLN 6 -3.511 3.358 -9.665
52 H LYS 7 H LYS 7 -1.793 -0.685 -7.521
53 HA LYS 7 HA LYS 7 -0.578 -2.039 -5.430
54 1HB LYS 7 2HB LYS 7 -0.590 -2.590 -7.937
55 2HB LYS 7 1HB LYS 7 0.779 -1.514 -8.098
56 1HG LYS 7 2HG LYS 7 1.737 -3.690 -7.824
57 2HG LYS 7 1HG LYS 7 1.946 -2.911 -6.274
58 1HD LYS 7 2HD LYS 7 1.081 -4.959 -5.567
59 2HD LYS 7 1HD LYS 7 -0.418 -4.070 -5.722
60 1HE LYS 7 2HE LYS 7 -0.556 -4.965 -8.130
61 2HE LYS 7 1HE LYS 7 0.733 -6.072 -7.673
62 1HZ LYS 7 3HZ LYS 7 -0.662 -6.814 -5.821
63 2HZ LYS 7 2HZ LYS 7 -1.913 -5.807 -6.371
64 3HZ LYS 7 1HZ LYS 7 -1.377 -7.100 -7.334
65 H CYS 8 H CYS 8 0.437 -1.184 -3.810
66 HA CYS 8 HA CYS 8 2.873 0.472 -4.237
67 1HB CYS 8 2HB CYS 8 2.233 1.877 -2.330
68 2HB CYS 8 1HB CYS 8 1.101 2.006 -3.644
69 H PHE 9 H PHE 9 4.402 0.294 -2.560
70 HA PHE 9 HA PHE 9 4.333 -2.328 -1.210
71 1HB PHE 9 2HB PHE 9 6.587 -0.291 -1.280
72 2HB PHE 9 1HB PHE 9 6.714 -1.974 -0.817
73 HD1 PHE 9 HD2 PHE 9 6.612 -3.756 -2.517
74 HD2 PHE 9 HD1 PHE 9 6.307 0.342 -3.660
75 HE1 PHE 9 HE2 PHE 9 7.002 -4.376 -4.859
76 HE2 PHE 9 HE1 PHE 9 6.698 -0.281 -5.997
77 HZ PHE 9 HZ PHE 9 7.047 -2.639 -6.602
78 H GLN 10 H GLN 10 4.629 -2.669 0.919
79 HA GLN 10 HA GLN 10 3.286 -1.078 2.761
80 1HB GLN 10 2HB GLN 10 5.473 -3.057 3.502
81 2HB GLN 10 1HB GLN 10 4.080 -2.620 4.463
82 1HG GLN 10 2HG GLN 10 4.059 -4.230 1.869
83 2HG GLN 10 1HG GLN 10 3.682 -4.810 3.477
84 1HE2 GLN 10 2HE2 GLN 10 0.815 -2.969 1.298
85 2HE2 GLN 10 1HE2 GLN 10 2.374 -3.241 0.687
86 H HIS 11 H HIS 11 6.417 -0.744 1.574
87 HA HIS 11 HA HIS 11 7.331 1.007 3.809
88 1HB HIS 11 2HB HIS 11 9.178 0.259 1.538
89 2HB HIS 11 1HB HIS 11 9.528 0.412 3.253
90 HD1 HIS 11 HD1 HIS 11 8.630 -2.075 0.763
91 HD2 HIS 11 HD2 HIS 11 8.643 -1.890 4.838
92 HE1 HIS 11 HE1 HIS 11 8.421 -4.398 1.565
93 H LEU 12 H LEU 12 7.145 0.798 0.301
94 HA LEU 12 HA LEU 12 7.447 3.740 0.025
95 1HB LEU 12 2HB LEU 12 7.171 1.556 -2.093
96 2HB LEU 12 1HB LEU 12 7.530 3.234 -2.424
97 HG LEU 12 HG LEU 12 9.313 1.513 -0.636
98 1HD1 LEU 12 3HD1 LEU 12 9.594 2.069 -3.621
99 2HD1 LEU 12 2HD1 LEU 12 10.777 1.244 -2.621
100 3HD1 LEU 12 1HD1 LEU 12 9.209 0.512 -2.905
101 1HD2 LEU 12 1HD2 LEU 12 9.674 4.198 -2.043
102 2HD2 LEU 12 3HD2 LEU 12 9.689 3.900 -0.312
103 3HD2 LEU 12 2HD2 LEU 12 10.999 3.306 -1.314
104 H ASP 13 H ASP 13 5.406 3.638 1.353
105 HA ASP 13 HA ASP 13 2.901 3.110 -0.057
106 1HB ASP 13 2HB ASP 13 3.275 4.717 2.523
107 2HB ASP 13 1HB ASP 13 1.839 3.850 2.007
108 H ASP 14 H ASP 14 2.821 4.324 -1.807
109 HA ASP 14 HA ASP 14 3.414 7.204 -1.818
110 1HB ASP 14 2HB ASP 14 2.698 6.836 -4.304
111 2HB ASP 14 1HB ASP 14 4.187 6.083 -3.767
112 H CYS 15 H CYS 15 0.796 5.205 -1.237
113 HA CYS 15 HA CYS 15 -1.443 6.414 -2.340
114 1HB CYS 15 2HB CYS 15 -1.346 5.390 0.460
115 2HB CYS 15 1HB CYS 15 -2.664 5.234 -0.672
116 H CYS 16 H CYS 16 -3.014 7.776 -1.547
117 HA CYS 16 HA CYS 16 -2.019 10.227 -0.361
118 1HB CYS 16 2HB CYS 16 -4.097 9.675 -2.025
119 2HB CYS 16 1HB CYS 16 -4.973 9.631 -0.523
120 H SER 17 H SER 17 -3.831 7.427 0.630
121 HA SER 17 HA SER 17 -4.364 8.330 3.343
122 1HB SER 17 2HB SER 17 -5.564 6.248 3.513
123 2HB SER 17 1HB SER 17 -5.765 6.677 1.814
124 HG SER 17 HG SER 17 -4.938 4.496 2.305
125 H ARG 18 H ARG 18 -1.658 7.476 1.834
126 HA ARG 18 HA ARG 18 0.381 6.506 2.316
127 1HB ARG 18 2HB ARG 18 1.359 7.379 4.384
128 2HB ARG 18 1HB ARG 18 0.330 8.605 3.682
129 1HG ARG 18 2HG ARG 18 -1.414 8.218 5.318
130 2HG ARG 18 1HG ARG 18 -0.626 6.780 5.935
131 1HD ARG 18 2HD ARG 18 0.390 8.122 7.466
132 2HD ARG 18 1HD ARG 18 1.329 8.845 6.169
133 HE ARG 18 HE ARG 18 -1.027 10.012 7.465
134 1HH1 ARG 18 1HH2 ARG 18 -1.538 10.149 4.539
135 2HH1 ARG 18 2HH2 ARG 18 -0.787 11.646 4.095
136 1HH2 ARG 18 2HH1 ARG 18 1.086 11.814 7.052
137 2HH2 ARG 18 1HH1 ARG 18 0.739 12.613 5.556
138 H LYS 19 H LYS 19 -1.917 4.742 2.729
139 HA LYS 19 HA LYS 19 -0.641 2.726 4.495
140 1HB LYS 19 2HB LYS 19 -3.446 3.803 4.463
141 2HB LYS 19 1HB LYS 19 -3.247 2.095 4.735
142 1HG LYS 19 2HG LYS 19 -1.582 2.700 6.601
143 2HG LYS 19 1HG LYS 19 -2.047 4.377 6.368
144 1HD LYS 19 2HD LYS 19 -4.407 3.814 6.890
145 2HD LYS 19 1HD LYS 19 -3.984 2.119 7.055
146 1HE LYS 19 2HE LYS 19 -2.273 2.948 8.872
147 2HE LYS 19 1HE LYS 19 -3.228 4.426 8.866
148 1HZ LYS 19 2HZ LYS 19 -5.207 2.924 9.188
149 2HZ LYS 19 1HZ LYS 19 -4.094 1.690 9.543
150 3HZ LYS 19 3HZ LYS 19 -4.148 3.088 10.507
151 H CYS 20 H CYS 20 -0.252 0.883 3.479
152 HA CYS 20 HA CYS 20 -1.736 0.219 1.001
153 1HB CYS 20 2HB CYS 20 1.148 -0.242 1.840
154 2HB CYS 20 1HB CYS 20 0.426 -0.961 0.439
155 H ASN 21 H ASN 21 -2.912 -1.598 1.238
156 HA ASN 21 HA ASN 21 -2.942 -3.104 3.682
157 1HB ASN 21 2HB ASN 21 -4.652 -4.483 2.520
158 2HB ASN 21 1HB ASN 21 -4.939 -2.773 2.274
159 1HD2 ASN 21 2HD2 ASN 21 -5.341 -3.893 -1.076
160 2HD2 ASN 21 1HD2 ASN 21 -6.191 -3.579 0.359
161 H ARG 22 H ARG 22 -3.218 -5.671 3.177
162 HA ARG 22 HA ARG 22 -0.561 -6.601 3.001
163 1HB ARG 22 2HB ARG 22 -1.546 -8.780 3.515
164 2HB ARG 22 1HB ARG 22 -2.239 -7.543 4.528
165 1HG ARG 22 2HG ARG 22 -4.309 -8.117 3.858
166 2HG ARG 22 1HG ARG 22 -3.930 -7.655 2.216
167 1HD ARG 22 2HD ARG 22 -3.478 -9.856 1.553
168 2HD ARG 22 1HD ARG 22 -2.958 -10.364 3.156
169 HE ARG 22 HE ARG 22 -5.762 -10.157 2.230
170 1HH1 ARG 22 1HH2 ARG 22 -5.665 -9.239 5.009
171 2HH1 ARG 22 2HH2 ARG 22 -5.823 -10.706 5.917
172 1HH2 ARG 22 2HH1 ARG 22 -4.987 -12.723 3.176
173 2HH2 ARG 22 1HH1 ARG 22 -5.429 -12.731 4.850
174 H PHE 23 H PHE 23 -2.910 -6.121 0.603
175 HA PHE 23 HA PHE 23 -1.903 -8.187 -1.229
176 1HB PHE 23 2HB PHE 23 -3.944 -5.954 -1.610
177 2HB PHE 23 1HB PHE 23 -3.627 -7.256 -2.726
178 HD1 PHE 23 HD1 PHE 23 -4.191 -9.639 -2.060
179 HD2 PHE 23 HD2 PHE 23 -5.383 -6.285 0.284
180 HE1 PHE 23 HE1 PHE 23 -5.865 -11.024 -0.919
181 HE2 PHE 23 HE2 PHE 23 -7.052 -7.672 1.419
182 HZ PHE 23 HZ PHE 23 -7.298 -10.043 0.820
183 H ASN 24 H ASN 24 -0.510 -5.637 -0.118
184 HA ASN 24 HA ASN 24 0.980 -4.014 -0.817
185 1HB ASN 24 2HB ASN 24 1.244 -6.103 -3.058
186 2HB ASN 24 1HB ASN 24 2.308 -4.709 -2.938
187 1HD2 ASN 24 2HD2 ASN 24 3.911 -5.847 0.065
188 2HD2 ASN 24 1HD2 ASN 24 3.432 -4.436 -0.748
189 H LYS 25 H LYS 25 -1.658 -3.636 -1.330
190 HA LYS 25 HA LYS 25 -1.732 -1.920 -3.762
191 1HB LYS 25 2HB LYS 25 -3.755 -3.739 -2.445
192 2HB LYS 25 1HB LYS 25 -4.313 -2.322 -3.293
193 1HG LYS 25 2HG LYS 25 -3.379 -3.114 -5.400
194 2HG LYS 25 1HG LYS 25 -2.422 -4.327 -4.578
195 1HD LYS 25 2HD LYS 25 -4.355 -5.395 -5.641
196 2HD LYS 25 1HD LYS 25 -4.476 -5.545 -3.904
197 1HE LYS 25 2HE LYS 25 -5.864 -3.259 -5.359
198 2HE LYS 25 1HE LYS 25 -6.617 -4.835 -5.207
199 1HZ LYS 25 3HZ LYS 25 -5.730 -4.265 -2.689
200 2HZ LYS 25 2HZ LYS 25 -6.331 -2.785 -3.266
201 3HZ LYS 25 1HZ LYS 25 -7.328 -4.160 -3.253
202 H CYS 26 H CYS 26 -3.163 0.020 -3.391
203 HA CYS 26 HA CYS 26 -2.480 1.202 -0.814
204 1HB CYS 26 2HB CYS 26 -3.818 2.171 -3.315
205 2HB CYS 26 1HB CYS 26 -3.884 3.133 -1.872
206 H VAL 27 H VAL 27 -4.181 2.610 0.159
207 HA VAL 27 HA VAL 27 -6.796 1.210 0.482
208 HB VAL 27 HB VAL 27 -5.013 2.280 2.727
209 1HG1 VAL 27 2HG1 VAL 27 -7.754 0.955 2.685
210 2HG1 VAL 27 1HG1 VAL 27 -6.733 0.821 4.106
211 3HG1 VAL 27 3HG1 VAL 27 -7.254 2.399 3.553
212 1HG2 VAL 27 1HG2 VAL 27 -5.589 -0.585 1.822
213 2HG2 VAL 27 3HG2 VAL 27 -4.029 0.213 1.801
214 3HG2 VAL 27 2HG2 VAL 27 -4.783 -0.186 3.329
No H/Q in entry = 214
Start of MODEL 4
1 1H CYS 1 1H CYS 1 0.554 11.461 -5.366
2 2H CYS 1 3H CYS 1 -0.780 12.507 -5.350
3 3H CYS 1 2H CYS 1 0.508 12.762 -4.273
4 HA CYS 1 HA CYS 1 0.020 10.682 -3.156
5 1HB CYS 1 2HB CYS 1 -1.521 11.759 -1.851
6 2HB CYS 1 1HB CYS 1 -1.299 13.085 -2.941
7 H ARG 2 H ARG 2 -0.386 8.678 -3.806
8 HA ARG 2 HA ARG 2 -1.998 8.069 -6.154
9 1HB ARG 2 2HB ARG 2 -0.431 6.396 -4.167
10 2HB ARG 2 1HB ARG 2 -1.417 5.647 -5.408
11 1HG ARG 2 2HG ARG 2 -0.119 7.267 -7.048
12 2HG ARG 2 1HG ARG 2 1.009 7.444 -5.721
13 1HD ARG 2 2HD ARG 2 2.000 5.500 -6.345
14 2HD ARG 2 1HD ARG 2 0.512 4.623 -6.000
15 HE ARG 2 HE ARG 2 0.035 5.694 -8.487
16 1HH1 ARG 2 2HH1 ARG 2 1.014 2.841 -7.417
17 2HH1 ARG 2 1HH1 ARG 2 2.127 2.456 -8.687
18 1HH2 ARG 2 1HH2 ARG 2 2.111 5.726 -9.951
19 2HH2 ARG 2 2HH2 ARG 2 2.767 4.136 -10.161
20 H ILE 3 H ILE 3 -3.860 6.842 -6.295
21 HA ILE 3 HA ILE 3 -5.783 7.269 -4.205
22 HB ILE 3 HB ILE 3 -7.235 5.864 -5.805
23 1HG1 ILE 3 2HG1 ILE 3 -5.339 6.237 -8.052
24 2HG1 ILE 3 1HG1 ILE 3 -4.708 5.132 -6.864
25 1HG2 ILE 3 2HG2 ILE 3 -5.812 8.337 -6.864
26 2HG2 ILE 3 1HG2 ILE 3 -7.333 7.711 -7.481
27 3HG2 ILE 3 3HG2 ILE 3 -7.239 8.323 -5.839
28 1HD1 ILE 3 2HD1 ILE 3 -7.505 4.505 -7.399
29 2HD1 ILE 3 1HD1 ILE 3 -6.540 4.509 -8.865
30 3HD1 ILE 3 3HD1 ILE 3 -6.074 3.494 -7.515
31 HA HYP 4 HA HYP 4 -5.987 3.251 -2.060
32 1HB HYP 4 1HB HYP 4 -8.162 2.964 -1.365
33 2HB HYP 4 2HB HYP 4 -8.811 3.175 -2.981
34 1HD HYP 4 1HD1 HYP 4 -6.861 6.626 -2.255
35 2HD HYP 4 2HD1 HYP 4 -7.872 6.343 -3.682
36 HOD HYP 4 HD2 HYP 4 -8.008 6.223 -0.489
37 HG HYP 4 HG HYP 4 -9.407 5.339 -2.161
38 H ASN 5 H ASN 5 -6.167 1.108 -2.547
39 HA ASN 5 HA ASN 5 -5.943 -0.837 -3.731
40 1HB ASN 5 2HB ASN 5 -7.656 -1.302 -5.175
41 2HB ASN 5 1HB ASN 5 -8.264 0.249 -4.664
42 1HD2 ASN 5 2HD2 ASN 5 -8.402 -0.045 -8.395
43 2HD2 ASN 5 1HD2 ASN 5 -8.970 -1.002 -7.113
44 H GLN 6 H GLN 6 -4.565 1.985 -4.907
45 HA GLN 6 HA GLN 6 -3.392 1.024 -7.343
46 1HB GLN 6 2HB GLN 6 -3.637 3.450 -6.381
47 2HB GLN 6 1HB GLN 6 -2.125 3.137 -5.567
48 1HG GLN 6 2HG GLN 6 -0.926 3.395 -7.480
49 2HG GLN 6 1HG GLN 6 -1.983 2.349 -8.410
50 1HE2 GLN 6 2HE2 GLN 6 -2.575 6.392 -8.462
51 2HE2 GLN 6 1HE2 GLN 6 -1.502 5.696 -7.345
52 H LYS 7 H LYS 7 -1.791 -0.357 -7.618
53 HA LYS 7 HA LYS 7 -0.595 -1.933 -5.679
54 1HB LYS 7 2HB LYS 7 -0.180 -1.396 -8.533
55 2HB LYS 7 1HB LYS 7 1.353 -1.731 -7.765
56 1HG LYS 7 2HG LYS 7 -1.098 -3.501 -7.425
57 2HG LYS 7 1HG LYS 7 0.120 -3.772 -8.650
58 1HD LYS 7 2HD LYS 7 1.201 -3.405 -5.881
59 2HD LYS 7 1HD LYS 7 0.216 -4.838 -6.096
60 1HE LYS 7 2HE LYS 7 1.676 -5.624 -7.893
61 2HE LYS 7 1HE LYS 7 2.560 -4.102 -7.898
62 1HZ LYS 7 3HZ LYS 7 2.374 -5.644 -5.413
63 2HZ LYS 7 2HZ LYS 7 3.471 -6.129 -6.616
64 3HZ LYS 7 1HZ LYS 7 3.585 -4.576 -5.939
65 H CYS 8 H CYS 8 0.306 -1.162 -3.952
66 HA CYS 8 HA CYS 8 2.810 0.421 -4.161
67 1HB CYS 8 2HB CYS 8 2.097 1.908 -2.402
68 2HB CYS 8 1HB CYS 8 0.931 1.951 -3.688
69 H PHE 9 H PHE 9 4.338 -0.275 -2.834
70 HA PHE 9 HA PHE 9 3.784 -2.656 -1.180
71 1HB PHE 9 2HB PHE 9 5.787 -2.384 -2.822
72 2HB PHE 9 1HB PHE 9 6.502 -1.346 -1.599
73 HD1 PHE 9 HD1 PHE 9 4.907 -4.720 -1.939
74 HD2 PHE 9 HD2 PHE 9 7.801 -2.348 0.093
75 HE1 PHE 9 HE1 PHE 9 5.683 -6.704 -0.721
76 HE2 PHE 9 HE2 PHE 9 8.572 -4.333 1.309
77 HZ PHE 9 HZ PHE 9 7.516 -6.513 0.906
78 H GLN 10 H GLN 10 4.834 -2.831 0.912
79 HA GLN 10 HA GLN 10 3.866 -1.049 2.794
80 1HB GLN 10 2HB GLN 10 6.126 -3.091 2.895
81 2HB GLN 10 1HB GLN 10 5.623 -2.220 4.330
82 1HG GLN 10 2HG GLN 10 4.354 -4.243 4.396
83 2HG GLN 10 1HG GLN 10 3.208 -3.057 3.795
84 1HE2 GLN 10 2HE2 GLN 10 2.913 -4.569 0.597
85 2HE2 GLN 10 1HE2 GLN 10 2.571 -3.196 1.534
86 H HIS 11 H HIS 11 7.033 -1.264 1.354
87 HA HIS 11 HA HIS 11 8.112 1.072 2.766
88 1HB HIS 11 2HB HIS 11 9.205 -0.715 0.546
89 2HB HIS 11 1HB HIS 11 10.106 0.636 1.222
90 HD1 HIS 11 HD1 HIS 11 11.484 -0.042 3.176
91 HD2 HIS 11 HD2 HIS 11 8.333 -2.604 2.770
92 HE1 HIS 11 HE1 HIS 11 11.762 -1.765 4.919
93 H LEU 12 H LEU 12 6.812 0.225 -0.354
94 HA LEU 12 HA LEU 12 7.250 2.937 -1.466
95 1HB LEU 12 2HB LEU 12 5.911 0.488 -2.691
96 2HB LEU 12 1HB LEU 12 6.331 1.943 -3.559
97 HG LEU 12 HG LEU 12 8.377 0.157 -2.148
98 1HD1 LEU 12 2HD1 LEU 12 7.495 0.236 -5.064
99 2HD1 LEU 12 1HD1 LEU 12 8.948 -0.574 -4.505
100 3HD1 LEU 12 3HD1 LEU 12 7.377 -1.125 -3.962
101 1HD2 LEU 12 2HD2 LEU 12 8.582 2.565 -4.001
102 2HD2 LEU 12 1HD2 LEU 12 9.311 2.353 -2.417
103 3HD2 LEU 12 3HD2 LEU 12 9.921 1.449 -3.788
104 H ASP 13 H ASP 13 5.735 3.040 0.730
105 HA ASP 13 HA ASP 13 2.875 2.968 0.155
106 1HB ASP 13 2HB ASP 13 3.784 2.477 2.415
107 2HB ASP 13 1HB ASP 13 4.478 4.084 2.506
108 H ASP 14 H ASP 14 3.071 4.243 -1.714
109 HA ASP 14 HA ASP 14 3.569 7.132 -1.514
110 1HB ASP 14 2HB ASP 14 3.012 6.879 -4.070
111 2HB ASP 14 1HB ASP 14 4.511 6.211 -3.460
112 H CYS 15 H CYS 15 0.968 5.282 -0.820
113 HA CYS 15 HA CYS 15 -1.183 6.473 -2.208
114 1HB CYS 15 2HB CYS 15 -1.339 5.446 0.601
115 2HB CYS 15 1HB CYS 15 -2.558 5.385 -0.649
116 H CYS 16 H CYS 16 -2.826 7.756 -1.464
117 HA CYS 16 HA CYS 16 -1.983 10.303 -0.368
118 1HB CYS 16 2HB CYS 16 -3.884 9.562 -2.144
119 2HB CYS 16 1HB CYS 16 -4.880 9.573 -0.720
120 H SER 17 H SER 17 -3.606 7.462 0.660
121 HA SER 17 HA SER 17 -4.448 8.455 3.279
122 1HB SER 17 2HB SER 17 -5.310 6.107 3.481
123 2HB SER 17 1HB SER 17 -5.813 6.795 1.931
124 HG SER 17 HG SER 17 -4.070 5.807 0.960
125 H ARG 18 H ARG 18 -1.720 7.199 1.812
126 HA ARG 18 HA ARG 18 0.333 6.427 2.500
127 1HB ARG 18 2HB ARG 18 -0.640 7.994 4.952
128 2HB ARG 18 1HB ARG 18 0.862 7.106 5.047
129 1HG ARG 18 2HG ARG 18 1.612 9.182 4.326
130 2HG ARG 18 1HG ARG 18 1.492 8.316 2.810
131 1HD ARG 18 2HD ARG 18 -0.869 9.303 2.573
132 2HD ARG 18 1HD ARG 18 -0.494 10.326 3.955
133 HE ARG 18 HE ARG 18 1.611 10.889 2.389
134 1HH1 ARG 18 2HH1 ARG 18 1.314 10.606 -0.121
135 2HH1 ARG 18 1HH1 ARG 18 0.038 11.609 -0.724
136 1HH2 ARG 18 1HH2 ARG 18 -1.356 12.109 2.442
137 2HH2 ARG 18 2HH2 ARG 18 -1.505 12.478 0.755
138 H LYS 19 H LYS 19 -1.875 4.691 2.557
139 HA LYS 19 HA LYS 19 -0.942 2.682 4.513
140 1HB LYS 19 2HB LYS 19 -3.685 3.840 4.124
141 2HB LYS 19 1HB LYS 19 -3.557 2.128 4.432
142 1HG LYS 19 2HG LYS 19 -2.282 2.580 6.516
143 2HG LYS 19 1HG LYS 19 -2.310 4.302 6.176
144 1HD LYS 19 2HD LYS 19 -4.775 4.329 6.331
145 2HD LYS 19 1HD LYS 19 -4.804 2.595 6.594
146 1HE LYS 19 2HE LYS 19 -3.329 4.532 8.430
147 2HE LYS 19 1HE LYS 19 -4.971 3.980 8.722
148 1HZ LYS 19 3HZ LYS 19 -4.079 1.674 8.604
149 2HZ LYS 19 2HZ LYS 19 -2.516 2.337 8.601
150 3HZ LYS 19 1HZ LYS 19 -3.542 2.589 9.931
151 H CYS 20 H CYS 20 -0.397 0.892 3.516
152 HA CYS 20 HA CYS 20 -1.666 0.152 0.942
153 1HB CYS 20 2HB CYS 20 1.194 -0.033 1.927
154 2HB CYS 20 1HB CYS 20 0.620 -0.911 0.544
155 H ASN 21 H ASN 21 -2.902 -1.557 1.330
156 HA ASN 21 HA ASN 21 -2.774 -3.149 3.713
157 1HB ASN 21 2HB ASN 21 -4.513 -4.582 2.422
158 2HB ASN 21 1HB ASN 21 -4.931 -2.911 2.721
159 1HD2 ASN 21 2HD2 ASN 21 -3.613 -3.647 -1.098
160 2HD2 ASN 21 1HD2 ASN 21 -2.720 -4.218 0.223
161 H ARG 22 H ARG 22 -2.980 -5.568 3.482
162 HA ARG 22 HA ARG 22 -0.500 -6.716 3.055
163 1HB ARG 22 2HB ARG 22 -1.695 -8.856 3.435
164 2HB ARG 22 1HB ARG 22 -2.184 -7.614 4.565
165 1HG ARG 22 2HG ARG 22 -4.036 -7.190 2.564
166 2HG ARG 22 1HG ARG 22 -3.732 -8.900 2.340
167 1HD ARG 22 2HD ARG 22 -4.444 -7.668 5.042
168 2HD ARG 22 1HD ARG 22 -5.640 -8.350 3.947
169 HE ARG 22 HE ARG 22 -3.541 -9.876 5.390
170 1HH1 ARG 22 2HH1 ARG 22 -4.236 -10.770 2.529
171 2HH1 ARG 22 1HH1 ARG 22 -5.407 -12.004 2.854
172 1HH2 ARG 22 1HH2 ARG 22 -5.878 -10.968 6.165
173 2HH2 ARG 22 2HH2 ARG 22 -6.361 -12.120 4.965
174 H PHE 23 H PHE 23 -2.918 -6.065 0.711
175 HA PHE 23 HA PHE 23 -2.004 -8.106 -1.189
176 1HB PHE 23 2HB PHE 23 -4.085 -5.889 -1.424
177 2HB PHE 23 1HB PHE 23 -3.859 -7.217 -2.544
178 HD1 PHE 23 HD1 PHE 23 -3.989 -9.639 -1.517
179 HD2 PHE 23 HD2 PHE 23 -5.563 -6.173 0.405
180 HE1 PHE 23 HE1 PHE 23 -5.433 -11.059 -0.134
181 HE2 PHE 23 HE2 PHE 23 -7.006 -7.600 1.785
182 HZ PHE 23 HZ PHE 23 -6.944 -10.044 1.519
183 H ASN 24 H ASN 24 -0.492 -5.652 -0.151
184 HA ASN 24 HA ASN 24 0.989 -4.051 -0.900
185 1HB ASN 24 2HB ASN 24 1.136 -5.882 -3.357
186 2HB ASN 24 1HB ASN 24 2.398 -4.797 -2.788
187 1HD2 ASN 24 2HD2 ASN 24 3.431 -6.950 -0.139
188 2HD2 ASN 24 1HD2 ASN 24 3.453 -5.350 -0.704
189 H LYS 25 H LYS 25 -1.645 -3.499 -1.341
190 HA LYS 25 HA LYS 25 -1.532 -1.692 -3.703
191 1HB LYS 25 2HB LYS 25 -3.612 -3.704 -2.865
192 2HB LYS 25 1HB LYS 25 -4.180 -2.178 -3.483
193 1HG LYS 25 2HG LYS 25 -2.716 -2.560 -5.524
194 2HG LYS 25 1HG LYS 25 -2.262 -4.121 -4.863
195 1HD LYS 25 2HD LYS 25 -4.418 -5.031 -5.156
196 2HD LYS 25 1HD LYS 25 -5.201 -3.460 -5.175
197 1HE LYS 25 2HE LYS 25 -4.140 -2.980 -7.397
198 2HE LYS 25 1HE LYS 25 -3.425 -4.587 -7.379
199 1HZ LYS 25 3HZ LYS 25 -5.869 -5.300 -6.967
200 2HZ LYS 25 2HZ LYS 25 -6.227 -3.796 -7.670
201 3HZ LYS 25 1HZ LYS 25 -5.328 -4.947 -8.539
202 H CYS 26 H CYS 26 -2.941 0.243 -3.346
203 HA CYS 26 HA CYS 26 -2.514 1.257 -0.686
204 1HB CYS 26 2HB CYS 26 -3.936 2.290 -3.115
205 2HB CYS 26 1HB CYS 26 -3.918 3.186 -1.627
206 H VAL 27 H VAL 27 -4.285 2.434 0.399
207 HA VAL 27 HA VAL 27 -6.805 0.845 0.551
208 HB VAL 27 HB VAL 27 -5.241 1.947 2.912
209 1HG1 VAL 27 1HG1 VAL 27 -7.645 0.082 2.658
210 2HG1 VAL 27 3HG1 VAL 27 -6.747 0.262 4.156
211 3HG1 VAL 27 2HG1 VAL 27 -7.593 1.639 3.475
212 1HG2 VAL 27 1HG2 VAL 27 -5.344 -0.918 1.874
213 2HG2 VAL 27 3HG2 VAL 27 -3.933 0.119 1.820
214 3HG2 VAL 27 2HG2 VAL 27 -4.557 -0.421 3.363
No H/Q in entry = 214
Start of MODEL 5
1 1H CYS 1 2H CYS 1 0.285 11.730 -5.152
2 2H CYS 1 1H CYS 1 -1.150 12.637 -5.179
3 3H CYS 1 3H CYS 1 0.069 13.010 -4.058
4 HA CYS 1 HA CYS 1 -0.240 10.869 -2.978
5 1HB CYS 1 2HB CYS 1 -1.874 11.826 -1.687
6 2HB CYS 1 1HB CYS 1 -1.771 13.152 -2.787
7 H ARG 2 H ARG 2 -0.502 8.839 -3.623
8 HA ARG 2 HA ARG 2 -1.885 8.110 -6.061
9 1HB ARG 2 2HB ARG 2 0.232 7.037 -4.884
10 2HB ARG 2 1HB ARG 2 -0.941 6.090 -4.007
11 1HG ARG 2 2HG ARG 2 -0.825 4.657 -5.713
12 2HG ARG 2 1HG ARG 2 -1.904 5.753 -6.547
13 1HD ARG 2 2HD ARG 2 -0.071 5.389 -8.066
14 2HD ARG 2 1HD ARG 2 0.268 6.963 -7.357
15 HE ARG 2 HE ARG 2 1.971 5.928 -5.967
16 1HH1 ARG 2 2HH1 ARG 2 0.684 3.211 -5.794
17 2HH1 ARG 2 1HH1 ARG 2 1.757 2.251 -6.759
18 1HH2 ARG 2 1HH2 ARG 2 3.244 5.039 -8.258
19 2HH2 ARG 2 2HH2 ARG 2 3.239 3.309 -8.182
20 H ILE 3 H ILE 3 -3.750 6.909 -6.333
21 HA ILE 3 HA ILE 3 -5.805 7.287 -4.365
22 HB ILE 3 HB ILE 3 -7.147 5.932 -6.086
23 1HG1 ILE 3 2HG1 ILE 3 -4.779 6.261 -7.945
24 2HG1 ILE 3 1HG1 ILE 3 -4.830 4.853 -6.909
25 1HG2 ILE 3 1HG2 ILE 3 -5.581 8.384 -6.994
26 2HG2 ILE 3 3HG2 ILE 3 -7.043 7.795 -7.767
27 3HG2 ILE 3 2HG2 ILE 3 -7.101 8.391 -6.116
28 1HD1 ILE 3 2HD1 ILE 3 -7.070 4.275 -7.781
29 2HD1 ILE 3 1HD1 ILE 3 -7.005 5.675 -8.849
30 3HD1 ILE 3 3HD1 ILE 3 -5.869 4.349 -9.060
31 HA HYP 4 HA HYP 4 -5.992 3.333 -2.187
32 1HB HYP 4 1HB HYP 4 -8.138 3.038 -1.467
33 2HB HYP 4 2HB HYP 4 -8.795 3.056 -3.093
34 1HD HYP 4 1HD1 HYP 4 -7.065 6.679 -2.628
35 2HD HYP 4 2HD1 HYP 4 -7.993 6.211 -4.062
36 HOD HYP 4 HD2 HYP 4 -8.240 6.339 -0.865
37 HG HYP 4 HG HYP 4 -9.520 5.249 -2.495
38 H ASN 5 H ASN 5 -6.237 1.150 -2.552
39 HA ASN 5 HA ASN 5 -5.911 -0.841 -3.620
40 1HB ASN 5 2HB ASN 5 -7.618 -1.424 -5.018
41 2HB ASN 5 1HB ASN 5 -8.255 0.136 -4.577
42 1HD2 ASN 5 2HD2 ASN 5 -8.448 -0.346 -8.283
43 2HD2 ASN 5 1HD2 ASN 5 -8.967 -1.253 -6.944
44 H GLN 6 H GLN 6 -4.451 1.859 -4.874
45 HA GLN 6 HA GLN 6 -3.330 0.724 -7.292
46 1HB GLN 6 2HB GLN 6 -3.583 3.235 -6.527
47 2HB GLN 6 1HB GLN 6 -2.043 2.977 -5.746
48 1HG GLN 6 2HG GLN 6 -1.045 3.398 -7.771
49 2HG GLN 6 1HG GLN 6 -1.687 1.873 -8.346
50 1HE2 GLN 6 2HE2 GLN 6 -3.306 5.358 -9.636
51 2HE2 GLN 6 1HE2 GLN 6 -2.036 5.336 -8.507
52 H LYS 7 H LYS 7 -1.692 -0.599 -7.483
53 HA LYS 7 HA LYS 7 -0.457 -2.044 -5.484
54 1HB LYS 7 2HB LYS 7 0.432 -1.357 -8.292
55 2HB LYS 7 1HB LYS 7 1.418 -2.389 -7.278
56 1HG LYS 7 2HG LYS 7 -1.539 -2.978 -7.607
57 2HG LYS 7 1HG LYS 7 -0.403 -3.484 -8.832
58 1HD LYS 7 2HD LYS 7 0.299 -4.139 -5.966
59 2HD LYS 7 1HD LYS 7 -1.006 -5.048 -6.695
60 1HE LYS 7 2HE LYS 7 1.689 -4.733 -8.066
61 2HE LYS 7 1HE LYS 7 1.340 -6.051 -6.959
62 1HZ LYS 7 1HZ LYS 7 -0.393 -5.446 -9.269
63 2HZ LYS 7 3HZ LYS 7 0.949 -6.481 -9.384
64 3HZ LYS 7 2HZ LYS 7 -0.334 -6.863 -8.336
65 H CYS 8 H CYS 8 0.449 -1.157 -3.776
66 HA CYS 8 HA CYS 8 2.954 0.409 -4.107
67 1HB CYS 8 2HB CYS 8 2.269 1.949 -2.359
68 2HB CYS 8 1HB CYS 8 1.158 1.987 -3.702
69 H PHE 9 H PHE 9 4.369 0.271 -2.362
70 HA PHE 9 HA PHE 9 4.187 -2.275 -0.879
71 1HB PHE 9 2HB PHE 9 6.504 -0.307 -0.898
72 2HB PHE 9 1HB PHE 9 6.551 -2.009 -0.482
73 HD1 PHE 9 HD1 PHE 9 6.421 -3.736 -2.237
74 HD2 PHE 9 HD2 PHE 9 6.344 0.401 -3.268
75 HE1 PHE 9 HE1 PHE 9 6.858 -4.303 -4.583
76 HE2 PHE 9 HE2 PHE 9 6.782 -0.171 -5.603
77 HZ PHE 9 HZ PHE 9 7.039 -2.523 -6.271
78 H GLN 10 H GLN 10 4.366 -2.487 1.302
79 HA GLN 10 HA GLN 10 2.982 -0.727 2.951
80 1HB GLN 10 2HB GLN 10 4.900 -3.009 3.506
81 2HB GLN 10 1HB GLN 10 4.207 -2.107 4.834
82 1HG GLN 10 2HG GLN 10 2.678 -3.897 4.549
83 2HG GLN 10 1HG GLN 10 1.891 -2.571 3.710
84 1HE2 GLN 10 2HE2 GLN 10 2.204 -4.060 0.508
85 2HE2 GLN 10 1HE2 GLN 10 1.810 -2.648 1.367
86 H HIS 11 H HIS 11 6.357 -0.948 2.232
87 HA HIS 11 HA HIS 11 7.186 1.019 4.256
88 1HB HIS 11 2HB HIS 11 8.736 -0.314 1.975
89 2HB HIS 11 1HB HIS 11 9.456 0.685 3.230
90 HD1 HIS 11 HD1 HIS 11 10.271 -0.692 5.141
91 HD2 HIS 11 HD2 HIS 11 7.218 -2.645 3.258
92 HE1 HIS 11 HE1 HIS 11 10.020 -2.860 6.289
93 H LEU 12 H LEU 12 6.971 0.767 0.758
94 HA LEU 12 HA LEU 12 7.337 3.704 0.428
95 1HB LEU 12 2HB LEU 12 7.054 1.556 -1.714
96 2HB LEU 12 1HB LEU 12 7.581 3.201 -1.965
97 HG LEU 12 HG LEU 12 9.114 1.197 -0.231
98 1HD1 LEU 12 2HD1 LEU 12 9.422 1.966 -3.161
99 2HD1 LEU 12 1HD1 LEU 12 10.718 1.226 -2.237
100 3HD1 LEU 12 3HD1 LEU 12 9.218 0.356 -2.492
101 1HD2 LEU 12 3HD2 LEU 12 9.791 3.962 -1.334
102 2HD2 LEU 12 2HD2 LEU 12 9.616 3.527 0.359
103 3HD2 LEU 12 1HD2 LEU 12 10.962 2.899 -0.570
104 H ASP 13 H ASP 13 5.210 3.566 1.696
105 HA ASP 13 HA ASP 13 2.809 3.056 0.108
106 1HB ASP 13 2HB ASP 13 1.740 4.360 2.138
107 2HB ASP 13 1HB ASP 13 2.357 2.749 2.416
108 H ASP 14 H ASP 14 2.785 4.275 -1.604
109 HA ASP 14 HA ASP 14 3.334 7.162 -1.590
110 1HB ASP 14 2HB ASP 14 2.729 6.794 -4.097
111 2HB ASP 14 1HB ASP 14 4.203 6.050 -3.508
112 H CYS 15 H CYS 15 0.749 5.276 -0.857
113 HA CYS 15 HA CYS 15 -1.453 6.447 -2.171
114 1HB CYS 15 2HB CYS 15 -1.522 5.424 0.635
115 2HB CYS 15 1HB CYS 15 -2.755 5.301 -0.599
116 H CYS 16 H CYS 16 -3.045 7.755 -1.429
117 HA CYS 16 HA CYS 16 -2.176 10.294 -0.409
118 1HB CYS 16 2HB CYS 16 -4.255 9.457 -1.947
119 2HB CYS 16 1HB CYS 16 -5.083 9.488 -0.418
120 H SER 17 H SER 17 -3.747 7.477 0.835
121 HA SER 17 HA SER 17 -4.169 8.521 3.530
122 1HB SER 17 2HB SER 17 -5.176 6.277 3.870
123 2HB SER 17 1HB SER 17 -5.767 6.924 2.343
124 HG SER 17 HG SER 17 -3.597 5.144 2.750
125 H ARG 18 H ARG 18 -1.691 7.204 1.735
126 HA ARG 18 HA ARG 18 0.414 6.388 2.157
127 1HB ARG 18 2HB ARG 18 -0.226 8.286 4.282
128 2HB ARG 18 1HB ARG 18 0.721 7.009 4.994
129 1HG ARG 18 2HG ARG 18 2.524 8.175 4.222
130 2HG ARG 18 1HG ARG 18 2.157 7.476 2.664
131 1HD ARG 18 2HD ARG 18 2.319 9.844 2.291
132 2HD ARG 18 1HD ARG 18 0.598 9.481 2.252
133 HE ARG 18 HE ARG 18 0.351 10.519 4.406
134 1HH1 ARG 18 1HH2 ARG 18 2.706 9.796 5.866
135 2HH1 ARG 18 2HH2 ARG 18 3.689 11.224 5.847
136 1HH2 ARG 18 2HH1 ARG 18 1.924 12.639 3.172
137 2HH2 ARG 18 1HH1 ARG 18 3.234 12.877 4.281
138 H LYS 19 H LYS 19 -2.004 4.778 2.721
139 HA LYS 19 HA LYS 19 -0.799 2.692 4.466
140 1HB LYS 19 2HB LYS 19 -3.604 3.758 4.191
141 2HB LYS 19 1HB LYS 19 -3.358 2.098 4.665
142 1HG LYS 19 2HG LYS 19 -1.991 2.806 6.597
143 2HG LYS 19 1HG LYS 19 -2.061 4.477 6.077
144 1HD LYS 19 2HD LYS 19 -4.627 2.943 6.625
145 2HD LYS 19 1HD LYS 19 -3.717 3.637 7.952
146 1HE LYS 19 2HE LYS 19 -3.858 5.888 6.886
147 2HE LYS 19 1HE LYS 19 -4.761 5.186 5.551
148 1HZ LYS 19 1HZ LYS 19 -5.845 4.570 8.136
149 2HZ LYS 19 3HZ LYS 19 -5.845 6.227 7.766
150 3HZ LYS 19 2HZ LYS 19 -6.615 5.126 6.728
151 H CYS 20 H CYS 20 -0.301 0.899 3.425
152 HA CYS 20 HA CYS 20 -1.710 0.175 0.922
153 1HB CYS 20 2HB CYS 20 1.172 -0.172 1.812
154 2HB CYS 20 1HB CYS 20 0.508 -0.904 0.388
155 H ASN 21 H ASN 21 -2.967 -1.516 1.319
156 HA ASN 21 HA ASN 21 -2.875 -3.108 3.697
157 1HB ASN 21 2HB ASN 21 -4.614 -4.531 2.375
158 2HB ASN 21 1HB ASN 21 -5.015 -2.856 2.676
159 1HD2 ASN 21 2HD2 ASN 21 -3.629 -3.537 -1.121
160 2HD2 ASN 21 1HD2 ASN 21 -2.745 -4.096 0.211
161 H ARG 22 H ARG 22 -3.133 -5.573 3.423
162 HA ARG 22 HA ARG 22 -0.625 -6.692 3.026
163 1HB ARG 22 2HB ARG 22 -1.817 -8.854 3.355
164 2HB ARG 22 1HB ARG 22 -2.284 -7.644 4.529
165 1HG ARG 22 2HG ARG 22 -4.409 -7.281 3.518
166 2HG ARG 22 1HG ARG 22 -3.911 -7.968 1.985
167 1HD ARG 22 2HD ARG 22 -5.371 -9.561 3.135
168 2HD ARG 22 1HD ARG 22 -3.739 -10.223 3.075
169 HE ARG 22 HE ARG 22 -4.283 -8.687 5.505
170 1HH1 ARG 22 1HH2 ARG 22 -2.428 -10.769 5.831
171 2HH1 ARG 22 2HH2 ARG 22 -3.336 -12.122 6.423
172 1HH2 ARG 22 2HH1 ARG 22 -6.399 -10.770 5.385
173 2HH2 ARG 22 1HH1 ARG 22 -5.646 -12.123 6.164
174 H PHE 23 H PHE 23 -3.008 -6.009 0.671
175 HA PHE 23 HA PHE 23 -2.105 -8.045 -1.244
176 1HB PHE 23 2HB PHE 23 -4.121 -5.763 -1.468
177 2HB PHE 23 1HB PHE 23 -3.878 -7.030 -2.648
178 HD1 PHE 23 HD2 PHE 23 -4.157 -9.497 -1.807
179 HD2 PHE 23 HD1 PHE 23 -5.662 -6.110 0.303
180 HE1 PHE 23 HE2 PHE 23 -5.711 -10.946 -0.584
181 HE2 PHE 23 HE1 PHE 23 -7.214 -7.566 1.522
182 HZ PHE 23 HZ PHE 23 -7.242 -9.986 1.083
183 H ASN 24 H ASN 24 -0.617 -5.594 -0.104
184 HA ASN 24 HA ASN 24 0.880 -3.971 -0.775
185 1HB ASN 24 2HB ASN 24 1.163 -6.027 -3.033
186 2HB ASN 24 1HB ASN 24 2.315 -4.729 -2.738
187 1HD2 ASN 24 2HD2 ASN 24 2.166 -7.930 -0.200
188 2HD2 ASN 24 1HD2 ASN 24 0.936 -7.690 -1.344
189 H LYS 25 H LYS 25 -1.706 -3.447 -1.350
190 HA LYS 25 HA LYS 25 -1.548 -1.685 -3.740
191 1HB LYS 25 2HB LYS 25 -3.644 -3.682 -2.867
192 2HB LYS 25 1HB LYS 25 -4.196 -2.180 -3.560
193 1HG LYS 25 2HG LYS 25 -2.725 -2.634 -5.564
194 2HG LYS 25 1HG LYS 25 -2.236 -4.148 -4.824
195 1HD LYS 25 2HD LYS 25 -4.426 -5.088 -4.998
196 2HD LYS 25 1HD LYS 25 -5.173 -3.528 -5.299
197 1HE LYS 25 2HE LYS 25 -4.002 -3.377 -7.488
198 2HE LYS 25 1HE LYS 25 -3.255 -4.942 -7.197
199 1HZ LYS 25 1HZ LYS 25 -6.176 -4.493 -7.258
200 2HZ LYS 25 3HZ LYS 25 -5.262 -5.017 -8.591
201 3HZ LYS 25 2HZ LYS 25 -5.366 -5.984 -7.198
202 H CYS 26 H CYS 26 -3.005 0.256 -3.397
203 HA CYS 26 HA CYS 26 -2.557 1.276 -0.739
204 1HB CYS 26 2HB CYS 26 -3.950 2.318 -3.176
205 2HB CYS 26 1HB CYS 26 -3.964 3.203 -1.682
206 H VAL 27 H VAL 27 -4.295 2.486 0.333
207 HA VAL 27 HA VAL 27 -6.833 0.929 0.543
208 HB VAL 27 HB VAL 27 -5.203 2.054 2.866
209 1HG1 VAL 27 1HG1 VAL 27 -7.657 0.244 2.703
210 2HG1 VAL 27 3HG1 VAL 27 -6.727 0.457 4.177
211 3HG1 VAL 27 2HG1 VAL 27 -7.563 1.824 3.466
212 1HG2 VAL 27 2HG2 VAL 27 -5.390 -0.807 1.817
213 2HG2 VAL 27 1HG2 VAL 27 -3.945 0.180 1.833
214 3HG2 VAL 27 3HG2 VAL 27 -4.637 -0.372 3.342
No H/Q in entry = 214
Start of MODEL 6
1 1H CYS 1 2H CYS 1 -1.040 12.716 -4.974
2 2H CYS 1 1H CYS 1 0.100 13.093 -3.772
3 3H CYS 1 3H CYS 1 0.409 11.837 -4.874
4 HA CYS 1 HA CYS 1 -0.220 10.883 -2.790
5 1HB CYS 1 2HB CYS 1 -1.890 11.802 -1.511
6 2HB CYS 1 1HB CYS 1 -1.753 13.168 -2.556
7 H ARG 2 H ARG 2 -0.426 8.889 -3.614
8 HA ARG 2 HA ARG 2 -1.824 8.360 -6.097
9 1HB ARG 2 2HB ARG 2 0.301 7.174 -5.119
10 2HB ARG 2 1HB ARG 2 -0.825 6.194 -4.205
11 1HG ARG 2 2HG ARG 2 -1.758 5.191 -6.111
12 2HG ARG 2 1HG ARG 2 -1.310 6.509 -7.170
13 1HD ARG 2 2HD ARG 2 0.322 5.039 -7.844
14 2HD ARG 2 1HD ARG 2 1.198 5.670 -6.458
15 HE ARG 2 HE ARG 2 -0.335 3.585 -5.426
16 1HH1 ARG 2 2HH1 ARG 2 0.180 2.640 -8.317
17 2HH1 ARG 2 1HH1 ARG 2 1.575 1.642 -8.080
18 1HH2 ARG 2 1HH2 ARG 2 2.229 2.940 -4.903
19 2HH2 ARG 2 2HH2 ARG 2 2.765 1.825 -6.111
20 H ILE 3 H ILE 3 -3.619 7.058 -6.456
21 HA ILE 3 HA ILE 3 -5.740 7.340 -4.580
22 HB ILE 3 HB ILE 3 -7.044 6.112 -6.287
23 1HG1 ILE 3 2HG1 ILE 3 -4.332 5.537 -7.574
24 2HG1 ILE 3 1HG1 ILE 3 -5.409 4.355 -6.866
25 1HG2 ILE 3 2HG2 ILE 3 -6.237 8.571 -6.583
26 2HG2 ILE 3 1HG2 ILE 3 -5.111 7.929 -7.765
27 3HG2 ILE 3 3HG2 ILE 3 -6.840 7.756 -8.012
28 1HD1 ILE 3 1HD1 ILE 3 -7.158 5.408 -8.621
29 2HD1 ILE 3 3HD1 ILE 3 -5.664 5.765 -9.477
30 3HD1 ILE 3 2HD1 ILE 3 -6.064 4.109 -9.053
31 HA HYP 4 HA HYP 4 -5.752 3.413 -2.320
32 1HB HYP 4 1HB HYP 4 -7.838 3.213 -1.430
33 2HB HYP 4 2HB HYP 4 -8.594 3.076 -3.003
34 1HD HYP 4 1HD1 HYP 4 -6.910 6.775 -2.799
35 2HD HYP 4 2HD1 HYP 4 -7.848 6.243 -4.202
36 HOD HYP 4 HD2 HYP 4 -7.748 6.488 -1.100
37 HG HYP 4 HG HYP 4 -9.346 5.286 -2.628
38 H ASN 5 H ASN 5 -6.425 1.155 -2.668
39 HA ASN 5 HA ASN 5 -6.070 -0.801 -3.834
40 1HB ASN 5 2HB ASN 5 -7.795 -1.234 -5.501
41 2HB ASN 5 1HB ASN 5 -8.483 -0.175 -4.290
42 1HD2 ASN 5 2HD2 ASN 5 -9.155 2.422 -6.569
43 2HD2 ASN 5 1HD2 ASN 5 -9.241 1.877 -4.963
44 H GLN 6 H GLN 6 -4.184 1.366 -4.569
45 HA GLN 6 HA GLN 6 -3.431 0.555 -7.327
46 1HB GLN 6 2HB GLN 6 -3.703 3.065 -6.411
47 2HB GLN 6 1HB GLN 6 -2.091 2.792 -5.791
48 1HG GLN 6 2HG GLN 6 -1.565 3.563 -7.914
49 2HG GLN 6 1HG GLN 6 -1.681 1.844 -8.269
50 1HE2 GLN 6 2HE2 GLN 6 -4.019 4.295 -10.288
51 2HE2 GLN 6 1HE2 GLN 6 -2.557 4.716 -9.534
52 H LYS 7 H LYS 7 -1.823 -0.843 -7.512
53 HA LYS 7 HA LYS 7 -0.592 -2.194 -5.445
54 1HB LYS 7 2HB LYS 7 -0.660 -2.767 -7.956
55 2HB LYS 7 1HB LYS 7 0.730 -1.729 -8.147
56 1HG LYS 7 2HG LYS 7 1.612 -3.945 -7.893
57 2HG LYS 7 1HG LYS 7 1.925 -3.137 -6.376
58 1HD LYS 7 2HD LYS 7 1.056 -5.159 -5.595
59 2HD LYS 7 1HD LYS 7 -0.416 -4.221 -5.646
60 1HE LYS 7 2HE LYS 7 -0.780 -5.145 -8.020
61 2HE LYS 7 1HE LYS 7 0.525 -6.271 -7.663
62 1HZ LYS 7 2HZ LYS 7 -0.958 -6.541 -5.484
63 2HZ LYS 7 1HZ LYS 7 -2.170 -6.163 -6.610
64 3HZ LYS 7 3HZ LYS 7 -1.151 -7.494 -6.877
65 H CYS 8 H CYS 8 0.323 -1.125 -3.831
66 HA CYS 8 HA CYS 8 2.805 0.459 -4.347
67 1HB CYS 8 2HB CYS 8 2.212 1.874 -2.440
68 2HB CYS 8 1HB CYS 8 0.994 1.955 -3.679
69 H PHE 9 H PHE 9 4.473 0.136 -2.938
70 HA PHE 9 HA PHE 9 4.338 -2.377 -1.406
71 1HB PHE 9 2HB PHE 9 6.385 -1.033 -2.902
72 2HB PHE 9 1HB PHE 9 6.949 -1.093 -1.240
73 HD1 PHE 9 HD2 PHE 9 7.123 -3.292 -0.058
74 HD2 PHE 9 HD1 PHE 9 6.114 -3.056 -4.196
75 HE1 PHE 9 HE2 PHE 9 7.637 -5.680 -0.325
76 HE2 PHE 9 HE1 PHE 9 6.628 -5.440 -4.456
77 HZ PHE 9 HZ PHE 9 7.390 -6.757 -2.522
78 H GLN 10 H GLN 10 4.956 -2.623 0.667
79 HA GLN 10 HA GLN 10 3.957 -0.808 2.536
80 1HB GLN 10 2HB GLN 10 5.959 -3.041 3.028
81 2HB GLN 10 1HB GLN 10 4.907 -2.335 4.237
82 1HG GLN 10 2HG GLN 10 3.876 -3.786 1.743
83 2HG GLN 10 1HG GLN 10 4.110 -4.555 3.299
84 1HE2 GLN 10 2HE2 GLN 10 0.575 -3.657 3.241
85 2HE2 GLN 10 1HE2 GLN 10 1.617 -4.758 2.478
86 H HIS 11 H HIS 11 7.143 -1.347 1.311
87 HA HIS 11 HA HIS 11 8.566 0.296 3.227
88 1HB HIS 11 2HB HIS 11 9.604 -0.410 0.463
89 2HB HIS 11 1HB HIS 11 10.511 -0.215 1.954
90 HD1 HIS 11 HD1 HIS 11 9.817 -2.827 -0.055
91 HD2 HIS 11 HD2 HIS 11 9.037 -2.343 3.922
92 HE1 HIS 11 HE1 HIS 11 9.546 -5.092 0.880
93 H LEU 12 H LEU 12 6.705 1.011 0.464
94 HA LEU 12 HA LEU 12 7.478 3.867 0.646
95 1HB LEU 12 2HB LEU 12 7.612 3.984 -1.891
96 2HB LEU 12 1HB LEU 12 8.930 3.137 -1.129
97 HG LEU 12 HG LEU 12 6.759 1.242 -1.745
98 1HD1 LEU 12 1HD1 LEU 12 6.303 2.937 -3.574
99 2HD1 LEU 12 3HD1 LEU 12 7.942 2.690 -4.149
100 3HD1 LEU 12 2HD1 LEU 12 6.792 1.362 -4.175
101 1HD2 LEU 12 2HD2 LEU 12 9.174 0.682 -1.315
102 2HD2 LEU 12 1HD2 LEU 12 8.595 0.021 -2.834
103 3HD2 LEU 12 3HD2 LEU 12 9.602 1.459 -2.827
104 H ASP 13 H ASP 13 5.460 3.870 1.693
105 HA ASP 13 HA ASP 13 3.000 3.326 0.205
106 1HB ASP 13 2HB ASP 13 3.672 4.444 2.950
107 2HB ASP 13 1HB ASP 13 2.039 4.581 2.321
108 H ASP 14 H ASP 14 3.022 4.549 -1.532
109 HA ASP 14 HA ASP 14 3.433 7.460 -1.470
110 1HB ASP 14 2HB ASP 14 2.897 7.075 -4.010
111 2HB ASP 14 1HB ASP 14 4.403 6.427 -3.386
112 H CYS 15 H CYS 15 0.937 5.377 -0.888
113 HA CYS 15 HA CYS 15 -1.303 6.448 -2.193
114 1HB CYS 15 2HB CYS 15 -1.331 5.367 0.603
115 2HB CYS 15 1HB CYS 15 -2.568 5.218 -0.616
116 H CYS 16 H CYS 16 -2.970 7.692 -1.480
117 HA CYS 16 HA CYS 16 -2.233 10.219 -0.322
118 1HB CYS 16 2HB CYS 16 -4.239 9.395 -1.977
119 2HB CYS 16 1HB CYS 16 -5.110 9.346 -0.473
120 H SER 17 H SER 17 -3.787 7.306 0.771
121 HA SER 17 HA SER 17 -4.415 8.260 3.445
122 1HB SER 17 2HB SER 17 -5.205 5.936 3.745
123 2HB SER 17 1HB SER 17 -5.732 6.467 2.147
124 HG SER 17 HG SER 17 -3.831 5.533 1.303
125 H ARG 18 H ARG 18 -1.754 7.064 1.781
126 HA ARG 18 HA ARG 18 0.421 6.508 2.336
127 1HB ARG 18 2HB ARG 18 -0.187 7.396 5.198
128 2HB ARG 18 1HB ARG 18 1.349 7.414 4.372
129 1HG ARG 18 2HG ARG 18 -0.425 9.042 2.785
130 2HG ARG 18 1HG ARG 18 -0.709 9.482 4.454
131 1HD ARG 18 2HD ARG 18 1.081 10.882 3.577
132 2HD ARG 18 1HD ARG 18 1.813 9.754 4.716
133 HE ARG 18 HE ARG 18 1.950 8.466 2.239
134 1HH1 ARG 18 1HH2 ARG 18 2.355 10.740 0.699
135 2HH1 ARG 18 2HH2 ARG 18 3.999 11.224 0.959
136 1HH2 ARG 18 2HH1 ARG 18 4.304 9.337 3.893
137 2HH2 ARG 18 1HH1 ARG 18 5.130 10.410 2.813
138 H LYS 19 H LYS 19 -1.956 4.763 2.806
139 HA LYS 19 HA LYS 19 -0.686 2.704 4.538
140 1HB LYS 19 2HB LYS 19 -3.485 3.767 4.392
141 2HB LYS 19 1HB LYS 19 -3.286 2.063 4.703
142 1HG LYS 19 2HG LYS 19 -2.237 2.404 6.768
143 2HG LYS 19 1HG LYS 19 -1.593 3.974 6.315
144 1HD LYS 19 2HD LYS 19 -3.840 4.985 6.472
145 2HD LYS 19 1HD LYS 19 -4.546 3.419 6.837
146 1HE LYS 19 2HE LYS 19 -2.850 3.369 8.845
147 2HE LYS 19 1HE LYS 19 -2.700 5.098 8.557
148 1HZ LYS 19 3HZ LYS 19 -5.097 5.295 8.789
149 2HZ LYS 19 2HZ LYS 19 -5.212 3.632 9.109
150 3HZ LYS 19 1HZ LYS 19 -4.380 4.648 10.187
151 H CYS 20 H CYS 20 -0.193 0.922 3.505
152 HA CYS 20 HA CYS 20 -1.589 0.203 0.991
153 1HB CYS 20 2HB CYS 20 1.290 -0.113 1.917
154 2HB CYS 20 1HB CYS 20 0.652 -0.954 0.542
155 H ASN 21 H ASN 21 -2.846 -1.522 1.377
156 HA ASN 21 HA ASN 21 -2.716 -3.064 3.798
157 1HB ASN 21 2HB ASN 21 -4.562 -4.349 2.823
158 2HB ASN 21 1HB ASN 21 -4.808 -2.643 2.512
159 1HD2 ASN 21 2HD2 ASN 21 -5.511 -4.201 -0.686
160 2HD2 ASN 21 1HD2 ASN 21 -6.239 -3.997 0.834
161 H ARG 22 H ARG 22 -3.003 -5.557 3.476
162 HA ARG 22 HA ARG 22 -0.465 -6.640 3.064
163 1HB ARG 22 2HB ARG 22 -1.558 -8.784 3.532
164 2HB ARG 22 1HB ARG 22 -2.113 -7.545 4.623
165 1HG ARG 22 2HG ARG 22 -4.266 -7.743 3.959
166 2HG ARG 22 1HG ARG 22 -3.853 -7.567 2.275
167 1HD ARG 22 2HD ARG 22 -4.379 -9.766 1.981
168 2HD ARG 22 1HD ARG 22 -2.975 -10.198 2.934
169 HE ARG 22 HE ARG 22 -4.373 -10.608 4.789
170 1HH1 ARG 22 1HH2 ARG 22 -6.037 -8.355 5.123
171 2HH1 ARG 22 2HH2 ARG 22 -7.600 -8.849 4.563
172 1HH2 ARG 22 2HH1 ARG 22 -6.329 -11.583 2.784
173 2HH2 ARG 22 1HH1 ARG 22 -7.768 -10.719 3.209
174 H PHE 23 H PHE 23 -2.909 -6.020 0.781
175 HA PHE 23 HA PHE 23 -2.037 -8.066 -1.147
176 1HB PHE 23 2HB PHE 23 -4.115 -5.836 -1.214
177 2HB PHE 23 1HB PHE 23 -3.832 -6.925 -2.546
178 HD1 PHE 23 HD2 PHE 23 -4.070 -9.482 -2.062
179 HD2 PHE 23 HD1 PHE 23 -5.614 -6.462 0.521
180 HE1 PHE 23 HE2 PHE 23 -5.600 -11.113 -1.058
181 HE2 PHE 23 HE1 PHE 23 -7.142 -8.097 1.519
182 HZ PHE 23 HZ PHE 23 -7.140 -10.427 0.729
183 H ASN 24 H ASN 24 -0.545 -5.576 -0.048
184 HA ASN 24 HA ASN 24 0.915 -3.925 -0.764
185 1HB ASN 24 2HB ASN 24 1.174 -6.051 -2.959
186 2HB ASN 24 1HB ASN 24 2.217 -4.636 -2.899
187 1HD2 ASN 24 2HD2 ASN 24 4.025 -5.708 -0.029
188 2HD2 ASN 24 1HD2 ASN 24 3.600 -4.358 -0.963
189 H LYS 25 H LYS 25 -1.713 -3.529 -1.275
190 HA LYS 25 HA LYS 25 -1.785 -1.860 -3.739
191 1HB LYS 25 2HB LYS 25 -3.810 -3.668 -2.395
192 2HB LYS 25 1HB LYS 25 -4.375 -2.282 -3.282
193 1HG LYS 25 2HG LYS 25 -2.356 -4.060 -4.651
194 2HG LYS 25 1HG LYS 25 -3.962 -4.722 -4.420
195 1HD LYS 25 2HD LYS 25 -5.002 -2.949 -5.652
196 2HD LYS 25 1HD LYS 25 -3.537 -1.979 -5.629
197 1HE LYS 25 2HE LYS 25 -3.769 -2.980 -7.841
198 2HE LYS 25 1HE LYS 25 -2.400 -3.728 -7.036
199 1HZ LYS 25 2HZ LYS 25 -4.722 -5.165 -6.401
200 2HZ LYS 25 1HZ LYS 25 -4.654 -4.958 -8.085
201 3HZ LYS 25 3HZ LYS 25 -3.354 -5.678 -7.266
202 H CYS 26 H CYS 26 -3.105 0.167 -3.368
203 HA CYS 26 HA CYS 26 -2.461 1.241 -0.740
204 1HB CYS 26 2HB CYS 26 -3.772 2.348 -3.206
205 2HB CYS 26 1HB CYS 26 -3.755 3.243 -1.730
206 H VAL 27 H VAL 27 -4.106 2.577 0.308
207 HA VAL 27 HA VAL 27 -6.758 1.209 0.520
208 HB VAL 27 HB VAL 27 -5.059 2.291 2.827
209 1HG1 VAL 27 2HG1 VAL 27 -7.720 0.799 2.704
210 2HG1 VAL 27 1HG1 VAL 27 -6.763 0.869 4.173
211 3HG1 VAL 27 3HG1 VAL 27 -7.398 2.345 3.477
212 1HG2 VAL 27 3HG2 VAL 27 -5.583 -0.593 1.958
213 2HG2 VAL 27 2HG2 VAL 27 -4.037 0.229 1.835
214 3HG2 VAL 27 1HG2 VAL 27 -4.714 -0.124 3.412
No H/Q in entry = 214
Start of MODEL 7
1 1H CYS 1 2H CYS 1 0.261 11.523 -5.475
2 2H CYS 1 1H CYS 1 -1.064 12.581 -5.382
3 3H CYS 1 3H CYS 1 0.287 12.822 -4.380
4 HA CYS 1 HA CYS 1 -0.146 10.775 -3.219
5 1HB CYS 1 2HB CYS 1 -1.659 11.859 -1.867
6 2HB CYS 1 1HB CYS 1 -1.510 13.155 -2.999
7 H ARG 2 H ARG 2 -0.427 8.781 -3.952
8 HA ARG 2 HA ARG 2 -2.016 8.043 -6.215
9 1HB ARG 2 2HB ARG 2 -0.331 6.664 -4.185
10 2HB ARG 2 1HB ARG 2 -1.569 5.651 -4.894
11 1HG ARG 2 2HG ARG 2 -0.726 6.052 -7.129
12 2HG ARG 2 1HG ARG 2 0.339 7.330 -6.569
13 1HD ARG 2 2HD ARG 2 1.828 5.855 -5.540
14 2HD ARG 2 1HD ARG 2 0.619 4.584 -5.341
15 HE ARG 2 HE ARG 2 1.284 5.166 -8.130
16 1HH1 ARG 2 1HH2 ARG 2 3.139 4.047 -5.604
17 2HH1 ARG 2 2HH2 ARG 2 3.437 2.473 -6.262
18 1HH2 ARG 2 2HH1 ARG 2 1.138 2.896 -8.864
19 2HH2 ARG 2 1HH1 ARG 2 2.279 1.808 -8.148
20 H ILE 3 H ILE 3 -3.815 6.605 -6.329
21 HA ILE 3 HA ILE 3 -5.931 7.318 -4.512
22 HB ILE 3 HB ILE 3 -7.252 5.798 -6.047
23 1HG1 ILE 3 2HG1 ILE 3 -4.687 5.441 -7.638
24 2HG1 ILE 3 1HG1 ILE 3 -5.120 4.268 -6.408
25 1HG2 ILE 3 2HG2 ILE 3 -6.752 8.220 -6.614
26 2HG2 ILE 3 1HG2 ILE 3 -5.359 7.676 -7.532
27 3HG2 ILE 3 3HG2 ILE 3 -6.976 7.216 -8.037
28 1HD1 ILE 3 1HD1 ILE 3 -7.302 3.913 -7.539
29 2HD1 ILE 3 3HD1 ILE 3 -6.812 5.044 -8.799
30 3HD1 ILE 3 2HD1 ILE 3 -5.933 3.538 -8.578
31 HA HYP 4 HA HYP 4 -6.131 3.407 -2.078
32 1HB HYP 4 1HB HYP 4 -8.311 3.090 -1.426
33 2HB HYP 4 2HB HYP 4 -8.895 3.044 -3.081
34 1HD HYP 4 1HD1 HYP 4 -7.364 6.772 -2.731
35 2HD HYP 4 2HD1 HYP 4 -8.180 6.116 -4.159
36 HOD HYP 4 HD2 HYP 4 -7.450 5.236 -0.818
37 HG HYP 4 HG HYP 4 -9.724 5.227 -2.533
38 H ASN 5 H ASN 5 -6.139 1.248 -2.528
39 HA ASN 5 HA ASN 5 -5.802 -0.716 -3.653
40 1HB ASN 5 2HB ASN 5 -7.354 -1.263 -5.240
41 2HB ASN 5 1HB ASN 5 -8.063 0.270 -4.819
42 1HD2 ASN 5 2HD2 ASN 5 -7.793 -0.108 -8.547
43 2HD2 ASN 5 1HD2 ASN 5 -8.421 -1.094 -7.318
44 H GLN 6 H GLN 6 -4.460 2.146 -4.827
45 HA GLN 6 HA GLN 6 -3.071 1.276 -7.137
46 1HB GLN 6 2HB GLN 6 -2.968 3.564 -5.319
47 2HB GLN 6 1HB GLN 6 -1.343 3.103 -5.751
48 1HG GLN 6 2HG GLN 6 -3.472 3.373 -7.896
49 2HG GLN 6 1HG GLN 6 -2.608 4.780 -7.291
50 1HE2 GLN 6 2HE2 GLN 6 -0.101 4.168 -9.635
51 2HE2 GLN 6 1HE2 GLN 6 -1.203 5.257 -8.952
52 H LYS 7 H LYS 7 -1.520 -0.106 -7.447
53 HA LYS 7 HA LYS 7 -0.442 -1.794 -5.479
54 1HB LYS 7 2HB LYS 7 0.271 -1.115 -8.325
55 2HB LYS 7 1HB LYS 7 1.422 -2.074 -7.420
56 1HG LYS 7 2HG LYS 7 -1.528 -2.824 -7.509
57 2HG LYS 7 1HG LYS 7 -0.415 -3.340 -8.759
58 1HD LYS 7 2HD LYS 7 1.040 -4.408 -7.019
59 2HD LYS 7 1HD LYS 7 -0.101 -3.928 -5.779
60 1HE LYS 7 2HE LYS 7 -1.891 -5.238 -7.018
61 2HE LYS 7 1HE LYS 7 -0.618 -5.856 -8.063
62 1HZ LYS 7 2HZ LYS 7 0.524 -6.584 -5.982
63 2HZ LYS 7 1HZ LYS 7 -0.908 -6.220 -5.146
64 3HZ LYS 7 3HZ LYS 7 -0.910 -7.409 -6.359
65 H CYS 8 H CYS 8 0.595 -1.105 -3.804
66 HA CYS 8 HA CYS 8 3.130 0.411 -4.110
67 1HB CYS 8 2HB CYS 8 2.516 1.786 -2.144
68 2HB CYS 8 1HB CYS 8 1.502 2.054 -3.535
69 H PHE 9 H PHE 9 4.561 0.168 -2.336
70 HA PHE 9 HA PHE 9 4.375 -2.514 -1.119
71 1HB PHE 9 2HB PHE 9 6.662 -0.511 -0.987
72 2HB PHE 9 1HB PHE 9 6.737 -2.213 -0.579
73 HD1 PHE 9 HD1 PHE 9 6.294 0.181 -3.397
74 HD2 PHE 9 HD2 PHE 9 6.929 -3.895 -2.313
75 HE1 PHE 9 HE1 PHE 9 6.799 -0.360 -5.728
76 HE2 PHE 9 HE2 PHE 9 7.433 -4.430 -4.653
77 HZ PHE 9 HZ PHE 9 7.371 -2.666 -6.365
78 H GLN 10 H GLN 10 4.613 -2.927 1.027
79 HA GLN 10 HA GLN 10 3.150 -1.406 2.840
80 1HB GLN 10 2HB GLN 10 5.304 -3.422 3.587
81 2HB GLN 10 1HB GLN 10 3.886 -3.007 4.529
82 1HG GLN 10 2HG GLN 10 3.879 -4.465 1.832
83 2HG GLN 10 1HG GLN 10 3.533 -5.168 3.397
84 1HE2 GLN 10 2HE2 GLN 10 0.199 -4.020 3.513
85 2HE2 GLN 10 1HE2 GLN 10 1.463 -4.779 4.356
86 H HIS 11 H HIS 11 6.317 -0.995 1.807
87 HA HIS 11 HA HIS 11 7.124 0.688 4.134
88 1HB HIS 11 2HB HIS 11 8.892 -0.231 1.821
89 2HB HIS 11 1HB HIS 11 9.408 0.373 3.390
90 HD1 HIS 11 HD1 HIS 11 9.473 -2.653 1.877
91 HD2 HIS 11 HD2 HIS 11 7.811 -1.550 5.437
92 HE1 HIS 11 HE1 HIS 11 9.259 -4.716 3.214
93 H LEU 12 H LEU 12 6.940 0.592 0.630
94 HA LEU 12 HA LEU 12 7.339 3.522 0.414
95 1HB LEU 12 2HB LEU 12 6.902 1.410 -1.743
96 2HB LEU 12 1HB LEU 12 7.342 3.073 -2.043
97 HG LEU 12 HG LEU 12 9.102 1.312 -0.278
98 1HD1 LEU 12 3HD1 LEU 12 9.152 1.539 -3.317
99 2HD1 LEU 12 2HD1 LEU 12 10.452 0.848 -2.358
100 3HD1 LEU 12 1HD1 LEU 12 8.874 0.083 -2.376
101 1HD2 LEU 12 3HD2 LEU 12 9.663 3.763 -2.016
102 2HD2 LEU 12 2HD2 LEU 12 9.538 3.762 -0.265
103 3HD2 LEU 12 1HD2 LEU 12 10.855 2.913 -1.046
104 H ASP 13 H ASP 13 5.291 3.426 1.799
105 HA ASP 13 HA ASP 13 2.758 3.070 0.377
106 1HB ASP 13 2HB ASP 13 3.159 4.465 3.067
107 2HB ASP 13 1HB ASP 13 1.734 3.618 2.483
108 H ASP 14 H ASP 14 3.119 4.386 -1.320
109 HA ASP 14 HA ASP 14 3.473 7.291 -1.025
110 1HB ASP 14 2HB ASP 14 3.233 6.982 -3.688
111 2HB ASP 14 1HB ASP 14 4.716 6.566 -2.854
112 H CYS 15 H CYS 15 0.913 5.385 -0.630
113 HA CYS 15 HA CYS 15 -1.131 6.456 -2.293
114 1HB CYS 15 2HB CYS 15 -1.540 5.437 0.505
115 2HB CYS 15 1HB CYS 15 -2.615 5.325 -0.859
116 H CYS 16 H CYS 16 -2.891 7.817 -1.637
117 HA CYS 16 HA CYS 16 -2.024 10.325 -0.536
118 1HB CYS 16 2HB CYS 16 -4.130 9.587 -2.092
119 2HB CYS 16 1HB CYS 16 -4.947 9.601 -0.556
120 H SER 17 H SER 17 -3.653 7.513 0.656
121 HA SER 17 HA SER 17 -4.130 8.519 3.354
122 1HB SER 17 2HB SER 17 -5.024 6.183 3.669
123 2HB SER 17 1HB SER 17 -5.714 6.908 2.209
124 HG SER 17 HG SER 17 -4.589 4.720 2.140
125 H ARG 18 H ARG 18 -1.680 7.087 1.576
126 HA ARG 18 HA ARG 18 0.431 6.258 2.001
127 1HB ARG 18 2HB ARG 18 0.034 7.501 4.785
128 2HB ARG 18 1HB ARG 18 1.565 7.082 4.058
129 1HG ARG 18 2HG ARG 18 -0.317 9.083 2.737
130 2HG ARG 18 1HG ARG 18 0.854 9.569 3.942
131 1HD ARG 18 2HD ARG 18 2.718 8.893 2.588
132 2HD ARG 18 1HD ARG 18 1.686 7.982 1.490
133 HE ARG 18 HE ARG 18 1.177 10.886 1.661
134 1HH1 ARG 18 2HH1 ARG 18 0.121 10.602 -0.633
135 2HH1 ARG 18 1HH1 ARG 18 1.323 10.357 -1.858
136 1HH2 ARG 18 1HH2 ARG 18 3.814 9.513 0.442
137 2HH2 ARG 18 2HH2 ARG 18 3.453 9.728 -1.238
138 H LYS 19 H LYS 19 -1.912 4.656 2.511
139 HA LYS 19 HA LYS 19 -0.814 2.667 4.423
140 1HB LYS 19 2HB LYS 19 -3.621 3.671 3.958
141 2HB LYS 19 1HB LYS 19 -3.316 2.102 4.640
142 1HG LYS 19 2HG LYS 19 -1.643 3.844 6.147
143 2HG LYS 19 1HG LYS 19 -3.077 4.796 5.846
144 1HD LYS 19 2HD LYS 19 -3.607 3.697 7.859
145 2HD LYS 19 1HD LYS 19 -4.424 2.717 6.659
146 1HE LYS 19 2HE LYS 19 -3.236 1.217 8.169
147 2HE LYS 19 1HE LYS 19 -2.374 1.187 6.638
148 1HZ LYS 19 3HZ LYS 19 -1.453 3.258 8.379
149 2HZ LYS 19 2HZ LYS 19 -1.305 1.714 9.071
150 3HZ LYS 19 1HZ LYS 19 -0.581 2.046 7.570
151 H CYS 20 H CYS 20 -0.282 0.830 3.405
152 HA CYS 20 HA CYS 20 -1.719 0.063 0.935
153 1HB CYS 20 2HB CYS 20 1.167 -0.370 1.773
154 2HB CYS 20 1HB CYS 20 0.443 -0.978 0.325
155 H ASN 21 H ASN 21 -2.964 -1.627 1.358
156 HA ASN 21 HA ASN 21 -2.830 -3.210 3.728
157 1HB ASN 21 2HB ASN 21 -4.691 -4.464 2.730
158 2HB ASN 21 1HB ASN 21 -4.904 -2.752 2.445
159 1HD2 ASN 21 2HD2 ASN 21 -5.660 -4.145 -0.791
160 2HD2 ASN 21 1HD2 ASN 21 -6.376 -3.884 0.727
161 H ARG 22 H ARG 22 -3.211 -5.673 3.343
162 HA ARG 22 HA ARG 22 -0.724 -6.882 3.061
163 1HB ARG 22 2HB ARG 22 -2.117 -9.027 3.119
164 2HB ARG 22 1HB ARG 22 -2.333 -7.925 4.456
165 1HG ARG 22 2HG ARG 22 -4.490 -7.314 3.810
166 2HG ARG 22 1HG ARG 22 -4.181 -7.537 2.105
167 1HD ARG 22 2HD ARG 22 -5.688 -9.314 2.825
168 2HD ARG 22 1HD ARG 22 -4.123 -10.050 2.507
169 HE ARG 22 HE ARG 22 -3.805 -10.350 4.862
170 1HH1 ARG 22 1HH2 ARG 22 -4.897 -7.815 5.873
171 2HH1 ARG 22 2HH2 ARG 22 -6.373 -8.296 6.642
172 1HH2 ARG 22 2HH1 ARG 22 -6.442 -11.395 5.006
173 2HH2 ARG 22 1HH1 ARG 22 -7.270 -10.378 6.137
174 H PHE 23 H PHE 23 -3.050 -6.157 0.672
175 HA PHE 23 HA PHE 23 -2.040 -8.125 -1.289
176 1HB PHE 23 2HB PHE 23 -4.342 -6.180 -1.120
177 2HB PHE 23 1HB PHE 23 -3.777 -6.622 -2.715
178 HD1 PHE 23 HD2 PHE 23 -3.894 -8.833 0.319
179 HD2 PHE 23 HD1 PHE 23 -5.539 -7.961 -3.519
180 HE1 PHE 23 HE2 PHE 23 -5.199 -10.898 0.406
181 HE2 PHE 23 HE1 PHE 23 -6.841 -10.032 -3.424
182 HZ PHE 23 HZ PHE 23 -6.676 -11.507 -1.462
183 H ASN 24 H ASN 24 -0.617 -5.672 -0.095
184 HA ASN 24 HA ASN 24 0.852 -4.003 -0.744
185 1HB ASN 24 2HB ASN 24 1.149 -5.929 -3.118
186 2HB ASN 24 1HB ASN 24 2.308 -4.674 -2.696
187 1HD2 ASN 24 2HD2 ASN 24 1.999 -8.018 -0.337
188 2HD2 ASN 24 1HD2 ASN 24 0.731 -7.608 -1.388
189 H LYS 25 H LYS 25 -1.768 -3.557 -1.307
190 HA LYS 25 HA LYS 25 -1.669 -1.735 -3.658
191 1HB LYS 25 2HB LYS 25 -3.693 -3.786 -2.766
192 2HB LYS 25 1HB LYS 25 -4.310 -2.306 -3.452
193 1HG LYS 25 2HG LYS 25 -2.662 -2.725 -5.425
194 2HG LYS 25 1HG LYS 25 -2.395 -4.308 -4.740
195 1HD LYS 25 2HD LYS 25 -5.191 -3.296 -5.412
196 2HD LYS 25 1HD LYS 25 -4.191 -4.102 -6.604
197 1HE LYS 25 2HE LYS 25 -5.041 -5.306 -3.934
198 2HE LYS 25 1HE LYS 25 -5.709 -5.719 -5.502
199 1HZ LYS 25 3HZ LYS 25 -3.420 -6.357 -6.180
200 2HZ LYS 25 2HZ LYS 25 -2.947 -6.180 -4.560
201 3HZ LYS 25 1HZ LYS 25 -4.114 -7.339 -4.980
202 H CYS 26 H CYS 26 -2.935 0.232 -3.287
203 HA CYS 26 HA CYS 26 -2.593 1.220 -0.628
204 1HB CYS 26 2HB CYS 26 -3.970 2.296 -3.061
205 2HB CYS 26 1HB CYS 26 -3.891 3.189 -1.579
206 H VAL 27 H VAL 27 -4.286 2.448 0.431
207 HA VAL 27 HA VAL 27 -6.876 0.961 0.636
208 HB VAL 27 HB VAL 27 -5.212 2.153 2.913
209 1HG1 VAL 27 2HG1 VAL 27 -7.856 0.635 2.867
210 2HG1 VAL 27 1HG1 VAL 27 -6.873 0.768 4.317
211 3HG1 VAL 27 3HG1 VAL 27 -7.533 2.210 3.575
212 1HG2 VAL 27 3HG2 VAL 27 -5.685 -0.744 2.080
213 2HG2 VAL 27 2HG2 VAL 27 -4.153 0.104 1.982
214 3HG2 VAL 27 1HG2 VAL 27 -4.850 -0.259 3.547
No H/Q in entry = 214
Start of MODEL 8
1 1H CYS 1 1H CYS 1 0.792 11.380 -5.076
2 2H CYS 1 3H CYS 1 -0.524 12.451 -5.152
3 3H CYS 1 2H CYS 1 0.714 12.710 -4.019
4 HA CYS 1 HA CYS 1 0.136 10.644 -2.894
5 1HB CYS 1 2HB CYS 1 -1.402 11.807 -1.655
6 2HB CYS 1 1HB CYS 1 -1.109 13.098 -2.767
7 H ARG 2 H ARG 2 -0.143 8.689 -3.736
8 HA ARG 2 HA ARG 2 -1.648 8.094 -6.097
9 1HB ARG 2 2HB ARG 2 -0.002 6.613 -4.134
10 2HB ARG 2 1HB ARG 2 -1.300 5.632 -4.765
11 1HG ARG 2 2HG ARG 2 0.555 7.246 -6.562
12 2HG ARG 2 1HG ARG 2 0.926 5.610 -6.071
13 1HD ARG 2 2HD ARG 2 -0.236 5.010 -7.956
14 2HD ARG 2 1HD ARG 2 -1.665 5.263 -6.966
15 HE ARG 2 HE ARG 2 -1.965 7.431 -7.996
16 1HH1 ARG 2 2HH1 ARG 2 1.144 7.502 -8.494
17 2HH1 ARG 2 1HH1 ARG 2 1.153 7.591 -10.223
18 1HH2 ARG 2 1HH2 ARG 2 -2.227 6.694 -10.480
19 2HH2 ARG 2 2HH2 ARG 2 -0.809 7.121 -11.379
20 H ILE 3 H ILE 3 -3.439 6.742 -6.370
21 HA ILE 3 HA ILE 3 -5.597 7.347 -4.518
22 HB ILE 3 HB ILE 3 -6.836 5.769 -6.280
23 1HG1 ILE 3 2HG1 ILE 3 -4.428 5.193 -7.265
24 2HG1 ILE 3 1HG1 ILE 3 -5.842 5.281 -8.283
25 1HG2 ILE 3 3HG2 ILE 3 -5.892 8.604 -6.802
26 2HG2 ILE 3 2HG2 ILE 3 -7.116 7.797 -7.774
27 3HG2 ILE 3 1HG2 ILE 3 -7.398 8.084 -6.067
28 1HD1 ILE 3 3HD1 ILE 3 -4.043 7.707 -7.893
29 2HD1 ILE 3 2HD1 ILE 3 -3.728 6.495 -9.121
30 3HD1 ILE 3 1HD1 ILE 3 -5.219 7.413 -9.165
31 HA HYP 4 HA HYP 4 -5.932 3.531 -2.174
32 1HB HYP 4 1HB HYP 4 -8.098 3.342 -1.447
33 2HB HYP 4 2HB HYP 4 -8.760 3.386 -3.071
34 1HD HYP 4 1HD1 HYP 4 -6.812 6.895 -2.773
35 2HD HYP 4 2HD1 HYP 4 -7.817 6.398 -4.146
36 HOD HYP 4 HD2 HYP 4 -6.962 5.348 -0.874
37 HG HYP 4 HG HYP 4 -9.324 5.632 -2.438
38 H ASN 5 H ASN 5 -6.284 1.343 -2.395
39 HA ASN 5 HA ASN 5 -5.940 -0.707 -3.356
40 1HB ASN 5 2HB ASN 5 -7.636 -1.411 -4.874
41 2HB ASN 5 1HB ASN 5 -8.375 -0.143 -3.923
42 1HD2 ASN 5 2HD2 ASN 5 -7.614 0.559 -7.901
43 2HD2 ASN 5 1HD2 ASN 5 -6.713 -0.626 -7.087
44 H GLN 6 H GLN 6 -4.582 1.867 -4.858
45 HA GLN 6 HA GLN 6 -3.737 0.563 -7.334
46 1HB GLN 6 2HB GLN 6 -3.991 3.101 -6.912
47 2HB GLN 6 1HB GLN 6 -2.484 3.014 -6.029
48 1HG GLN 6 2HG GLN 6 -1.263 2.986 -7.961
49 2HG GLN 6 1HG GLN 6 -2.162 1.621 -8.586
50 1HE2 GLN 6 2HE2 GLN 6 -4.670 3.863 -10.109
51 2HE2 GLN 6 1HE2 GLN 6 -4.686 2.547 -9.035
52 H LYS 7 H LYS 7 -1.945 -0.648 -7.592
53 HA LYS 7 HA LYS 7 -0.641 -1.928 -5.509
54 1HB LYS 7 2HB LYS 7 0.815 -2.837 -7.131
55 2HB LYS 7 1HB LYS 7 -0.671 -2.508 -7.977
56 1HG LYS 7 2HG LYS 7 0.725 -1.581 -9.525
57 2HG LYS 7 1HG LYS 7 0.590 -0.164 -8.512
58 1HD LYS 7 2HD LYS 7 2.657 -1.230 -7.209
59 2HD LYS 7 1HD LYS 7 2.821 -2.236 -8.627
60 1HE LYS 7 2HE LYS 7 3.039 -0.219 -10.056
61 2HE LYS 7 1HE LYS 7 2.807 0.814 -8.651
62 1HZ LYS 7 3HZ LYS 7 4.799 -0.804 -7.859
63 2HZ LYS 7 2HZ LYS 7 5.137 -0.618 -9.512
64 3HZ LYS 7 1HZ LYS 7 5.002 0.748 -8.514
65 H CYS 8 H CYS 8 0.550 -1.254 -3.975
66 HA CYS 8 HA CYS 8 2.762 0.680 -4.384
67 1HB CYS 8 2HB CYS 8 2.108 1.895 -2.341
68 2HB CYS 8 1HB CYS 8 0.911 2.010 -3.596
69 H PHE 9 H PHE 9 4.069 0.799 -2.298
70 HA PHE 9 HA PHE 9 4.444 -1.979 -1.238
71 1HB PHE 9 2HB PHE 9 6.415 0.264 -1.803
72 2HB PHE 9 1HB PHE 9 6.851 -1.160 -0.871
73 HD1 PHE 9 HD1 PHE 9 5.634 -0.013 -4.200
74 HD2 PHE 9 HD2 PHE 9 7.245 -3.274 -1.972
75 HE1 PHE 9 HE1 PHE 9 5.994 -1.261 -6.279
76 HE2 PHE 9 HE2 PHE 9 7.601 -4.516 -4.056
77 HZ PHE 9 HZ PHE 9 6.977 -3.513 -6.212
78 H GLN 10 H GLN 10 4.454 -2.290 0.895
79 HA GLN 10 HA GLN 10 3.302 -0.469 2.665
80 1HB GLN 10 2HB GLN 10 5.006 -2.953 3.117
81 2HB GLN 10 1HB GLN 10 4.339 -2.058 4.465
82 1HG GLN 10 2HG GLN 10 2.709 -3.746 4.041
83 2HG GLN 10 1HG GLN 10 2.025 -2.314 3.288
84 1HE2 GLN 10 2HE2 GLN 10 3.335 -5.412 0.957
85 2HE2 GLN 10 1HE2 GLN 10 3.769 -5.344 2.596
86 H HIS 11 H HIS 11 6.607 -1.209 1.936
87 HA HIS 11 HA HIS 11 7.858 0.400 3.960
88 1HB HIS 11 2HB HIS 11 8.894 -1.531 2.578
89 2HB HIS 11 1HB HIS 11 9.082 -0.366 1.274
90 HD1 HIS 11 HD1 HIS 11 11.063 1.189 1.546
91 HD2 HIS 11 HD2 HIS 11 10.305 -0.811 5.022
92 HE1 HIS 11 HE1 HIS 11 12.928 1.721 3.071
93 H LEU 12 H LEU 12 7.111 0.906 0.572
94 HA LEU 12 HA LEU 12 7.640 3.846 0.854
95 1HB LEU 12 2HB LEU 12 7.733 1.982 -1.562
96 2HB LEU 12 1HB LEU 12 7.847 3.723 -1.702
97 HG LEU 12 HG LEU 12 9.742 2.226 0.155
98 1HD1 LEU 12 3HD1 LEU 12 10.141 2.687 -2.830
99 2HD1 LEU 12 2HD1 LEU 12 11.357 2.072 -1.722
100 3HD1 LEU 12 1HD1 LEU 12 9.922 1.124 -2.061
101 1HD2 LEU 12 2HD2 LEU 12 9.853 4.863 -1.376
102 2HD2 LEU 12 1HD2 LEU 12 9.756 4.662 0.366
103 3HD2 LEU 12 3HD2 LEU 12 11.215 4.200 -0.490
104 H ASP 13 H ASP 13 5.556 3.673 1.942
105 HA ASP 13 HA ASP 13 3.161 3.179 0.404
106 1HB ASP 13 2HB ASP 13 3.621 3.311 3.064
107 2HB ASP 13 1HB ASP 13 3.092 4.969 2.853
108 H ASP 14 H ASP 14 3.138 4.304 -1.365
109 HA ASP 14 HA ASP 14 3.615 7.198 -1.494
110 1HB ASP 14 2HB ASP 14 3.084 6.691 -3.987
111 2HB ASP 14 1HB ASP 14 4.537 5.976 -3.316
112 H CYS 15 H CYS 15 0.980 5.199 -0.892
113 HA CYS 15 HA CYS 15 -1.150 6.426 -2.260
114 1HB CYS 15 2HB CYS 15 -1.334 5.321 0.521
115 2HB CYS 15 1HB CYS 15 -2.543 5.287 -0.737
116 H CYS 16 H CYS 16 -2.763 7.780 -1.578
117 HA CYS 16 HA CYS 16 -1.881 10.244 -0.353
118 1HB CYS 16 2HB CYS 16 -3.832 9.635 -2.137
119 2HB CYS 16 1HB CYS 16 -4.810 9.596 -0.703
120 H SER 17 H SER 17 -3.702 7.447 0.583
121 HA SER 17 HA SER 17 -4.489 8.390 3.213
122 1HB SER 17 2HB SER 17 -5.326 6.040 3.424
123 2HB SER 17 1HB SER 17 -5.799 6.679 1.846
124 HG SER 17 HG SER 17 -3.783 5.796 1.064
125 H ARG 18 H ARG 18 -1.710 7.176 1.785
126 HA ARG 18 HA ARG 18 0.368 6.482 2.538
127 1HB ARG 18 2HB ARG 18 -0.551 7.575 5.244
128 2HB ARG 18 1HB ARG 18 1.102 7.331 4.729
129 1HG ARG 18 2HG ARG 18 0.818 9.018 2.926
130 2HG ARG 18 1HG ARG 18 -0.842 9.287 3.424
131 1HD ARG 18 2HD ARG 18 1.501 9.663 5.336
132 2HD ARG 18 1HD ARG 18 0.855 10.965 4.346
133 HE ARG 18 HE ARG 18 -1.288 10.737 5.530
134 1HH1 ARG 18 1HH2 ARG 18 -1.735 8.355 6.726
135 2HH1 ARG 18 2HH2 ARG 18 -1.046 8.417 8.313
136 1HH2 ARG 18 2HH1 ARG 18 0.991 11.160 7.542
137 2HH2 ARG 18 1HH1 ARG 18 0.535 10.045 8.787
138 H LYS 19 H LYS 19 -1.995 4.779 2.689
139 HA LYS 19 HA LYS 19 -1.043 2.740 4.621
140 1HB LYS 19 2HB LYS 19 -3.784 3.842 4.062
141 2HB LYS 19 1HB LYS 19 -3.621 2.175 4.544
142 1HG LYS 19 2HG LYS 19 -2.698 2.760 6.677
143 2HG LYS 19 1HG LYS 19 -2.256 4.372 6.139
144 1HD LYS 19 2HD LYS 19 -4.662 4.985 5.960
145 2HD LYS 19 1HD LYS 19 -5.116 3.379 6.506
146 1HE LYS 19 2HE LYS 19 -3.933 3.777 8.664
147 2HE LYS 19 1HE LYS 19 -3.461 5.379 8.110
148 1HZ LYS 19 2HZ LYS 19 -6.295 4.698 8.021
149 2HZ LYS 19 1HZ LYS 19 -5.596 4.981 9.543
150 3HZ LYS 19 3HZ LYS 19 -5.538 6.183 8.346
151 H CYS 20 H CYS 20 -0.478 0.932 3.626
152 HA CYS 20 HA CYS 20 -1.695 0.205 1.023
153 1HB CYS 20 2HB CYS 20 1.160 0.097 2.036
154 2HB CYS 20 1HB CYS 20 0.636 -0.888 0.711
155 H ASN 21 H ASN 21 -2.907 -1.531 1.386
156 HA ASN 21 HA ASN 21 -2.781 -3.121 3.777
157 1HB ASN 21 2HB ASN 21 -4.473 -4.592 2.451
158 2HB ASN 21 1HB ASN 21 -4.926 -2.929 2.755
159 1HD2 ASN 21 2HD2 ASN 21 -3.498 -3.513 -1.036
160 2HD2 ASN 21 1HD2 ASN 21 -2.582 -4.014 0.295
161 H ARG 22 H ARG 22 -2.930 -5.585 3.496
162 HA ARG 22 HA ARG 22 -0.375 -6.590 3.040
163 1HB ARG 22 2HB ARG 22 -1.403 -8.770 3.524
164 2HB ARG 22 1HB ARG 22 -1.982 -7.545 4.620
165 1HG ARG 22 2HG ARG 22 -4.107 -8.126 4.061
166 2HG ARG 22 1HG ARG 22 -3.838 -7.423 2.482
167 1HD ARG 22 2HD ARG 22 -4.587 -9.720 2.174
168 2HD ARG 22 1HD ARG 22 -2.887 -9.661 1.724
169 HE ARG 22 HE ARG 22 -3.710 -10.503 4.475
170 1HH1 ARG 22 1HH2 ARG 22 -0.951 -10.729 4.251
171 2HH1 ARG 22 2HH2 ARG 22 -0.643 -12.281 3.548
172 1HH2 ARG 22 2HH1 ARG 22 -3.924 -12.601 2.350
173 2HH2 ARG 22 1HH1 ARG 22 -2.375 -13.373 2.441
174 H PHE 23 H PHE 23 -2.810 -5.971 0.760
175 HA PHE 23 HA PHE 23 -1.964 -8.035 -1.158
176 1HB PHE 23 2HB PHE 23 -4.047 -5.811 -1.197
177 2HB PHE 23 1HB PHE 23 -3.747 -6.864 -2.559
178 HD1 PHE 23 HD1 PHE 23 -3.837 -9.457 -2.055
179 HD2 PHE 23 HD2 PHE 23 -5.626 -6.484 0.422
180 HE1 PHE 23 HE1 PHE 23 -5.329 -11.150 -1.097
181 HE2 PHE 23 HE2 PHE 23 -7.117 -8.181 1.376
182 HZ PHE 23 HZ PHE 23 -6.972 -10.517 0.619
183 H ASN 24 H ASN 24 -0.477 -5.523 -0.086
184 HA ASN 24 HA ASN 24 0.973 -3.895 -0.843
185 1HB ASN 24 2HB ASN 24 1.239 -6.131 -2.919
186 2HB ASN 24 1HB ASN 24 2.286 -4.716 -2.954
187 1HD2 ASN 24 2HD2 ASN 24 2.531 -7.194 0.329
188 2HD2 ASN 24 1HD2 ASN 24 1.046 -7.042 -0.480
189 H LYS 25 H LYS 25 -1.581 -3.377 -1.300
190 HA LYS 25 HA LYS 25 -1.556 -1.678 -3.732
191 1HB LYS 25 2HB LYS 25 -3.568 -3.706 -2.749
192 2HB LYS 25 1HB LYS 25 -4.190 -2.233 -3.444
193 1HG LYS 25 2HG LYS 25 -3.256 -2.747 -5.590
194 2HG LYS 25 1HG LYS 25 -2.036 -3.795 -4.904
195 1HD LYS 25 2HD LYS 25 -3.689 -5.185 -6.017
196 2HD LYS 25 1HD LYS 25 -3.795 -5.462 -4.295
197 1HE LYS 25 2HE LYS 25 -5.603 -3.420 -5.649
198 2HE LYS 25 1HE LYS 25 -6.022 -5.123 -5.608
199 1HZ LYS 25 1HZ LYS 25 -5.383 -4.708 -3.063
200 2HZ LYS 25 3HZ LYS 25 -5.998 -3.180 -3.475
201 3HZ LYS 25 2HZ LYS 25 -6.956 -4.566 -3.684
202 H CYS 26 H CYS 26 -3.093 0.216 -3.353
203 HA CYS 26 HA CYS 26 -2.559 1.260 -0.703
204 1HB CYS 26 2HB CYS 26 -4.019 2.297 -3.117
205 2HB CYS 26 1HB CYS 26 -3.919 3.203 -1.636
206 H VAL 27 H VAL 27 -4.328 2.458 0.385
207 HA VAL 27 HA VAL 27 -6.823 0.823 0.590
208 HB VAL 27 HB VAL 27 -5.255 2.047 2.906
209 1HG1 VAL 27 2HG1 VAL 27 -7.611 0.106 2.787
210 2HG1 VAL 27 1HG1 VAL 27 -6.727 0.476 4.257
211 3HG1 VAL 27 3HG1 VAL 27 -7.639 1.736 3.446
212 1HG2 VAL 27 3HG2 VAL 27 -5.327 -0.829 1.878
213 2HG2 VAL 27 2HG2 VAL 27 -3.919 0.212 1.936
214 3HG2 VAL 27 1HG2 VAL 27 -4.636 -0.366 3.423
No H/Q in entry = 214
Start of MODEL 9
1 1H CYS 1 2H CYS 1 -1.110 12.953 -5.023
2 2H CYS 1 1H CYS 1 0.084 13.331 -3.875
3 3H CYS 1 3H CYS 1 0.340 12.073 -4.987
4 HA CYS 1 HA CYS 1 -0.203 11.141 -2.858
5 1HB CYS 1 2HB CYS 1 -1.838 12.050 -1.541
6 2HB CYS 1 1HB CYS 1 -1.731 13.413 -2.594
7 H ARG 2 H ARG 2 -0.448 9.139 -3.572
8 HA ARG 2 HA ARG 2 -1.770 8.456 -6.035
9 1HB ARG 2 2HB ARG 2 0.009 7.196 -4.125
10 2HB ARG 2 1HB ARG 2 -1.289 6.085 -4.456
11 1HG ARG 2 2HG ARG 2 -0.207 7.362 -6.919
12 2HG ARG 2 1HG ARG 2 1.009 6.509 -6.000
13 1HD ARG 2 2HD ARG 2 -0.973 4.632 -5.917
14 2HD ARG 2 1HD ARG 2 -1.387 5.430 -7.428
15 HE ARG 2 HE ARG 2 0.631 4.613 -8.374
16 1HH1 ARG 2 1HH2 ARG 2 2.914 4.927 -7.131
17 2HH1 ARG 2 2HH2 ARG 2 3.231 3.547 -6.133
18 1HH2 ARG 2 2HH1 ARG 2 -0.099 2.479 -6.177
19 2HH2 ARG 2 1HH1 ARG 2 1.491 2.138 -5.579
20 H ILE 3 H ILE 3 -3.462 6.949 -6.383
21 HA ILE 3 HA ILE 3 -5.739 7.424 -4.664
22 HB ILE 3 HB ILE 3 -6.948 6.195 -6.449
23 1HG1 ILE 3 2HG1 ILE 3 -4.191 5.730 -7.677
24 2HG1 ILE 3 1HG1 ILE 3 -5.211 4.493 -6.969
25 1HG2 ILE 3 2HG2 ILE 3 -6.272 8.659 -6.665
26 2HG2 ILE 3 1HG2 ILE 3 -4.952 8.128 -7.693
27 3HG2 ILE 3 3HG2 ILE 3 -6.615 7.852 -8.183
28 1HD1 ILE 3 2HD1 ILE 3 -7.005 5.472 -8.714
29 2HD1 ILE 3 1HD1 ILE 3 -5.540 5.925 -9.568
30 3HD1 ILE 3 3HD1 ILE 3 -5.842 4.242 -9.173
31 HA HYP 4 HA HYP 4 -5.834 3.618 -2.314
32 1HB HYP 4 1HB HYP 4 -7.935 3.411 -1.482
33 2HB HYP 4 2HB HYP 4 -8.631 3.106 -3.066
34 1HD HYP 4 1HD1 HYP 4 -7.151 6.892 -3.167
35 2HD HYP 4 2HD1 HYP 4 -7.988 6.134 -4.532
36 HOD HYP 4 HD2 HYP 4 -8.546 6.663 -1.325
37 HG HYP 4 HG HYP 4 -9.488 5.312 -2.865
38 H ASN 5 H ASN 5 -6.290 1.354 -2.469
39 HA ASN 5 HA ASN 5 -5.827 -0.694 -3.382
40 1HB ASN 5 2HB ASN 5 -7.444 -1.438 -5.018
41 2HB ASN 5 1HB ASN 5 -8.240 -0.291 -3.963
42 1HD2 ASN 5 2HD2 ASN 5 -9.089 1.895 -6.563
43 2HD2 ASN 5 1HD2 ASN 5 -9.227 1.487 -4.921
44 H GLN 6 H GLN 6 -4.274 1.734 -4.730
45 HA GLN 6 HA GLN 6 -3.463 0.462 -7.248
46 1HB GLN 6 2HB GLN 6 -3.661 3.040 -6.649
47 2HB GLN 6 1HB GLN 6 -2.051 2.822 -6.008
48 1HG GLN 6 2HG GLN 6 -1.365 3.186 -8.187
49 2HG GLN 6 1HG GLN 6 -1.825 1.519 -8.455
50 1HE2 GLN 6 2HE2 GLN 6 -3.836 4.414 -10.338
51 2HE2 GLN 6 1HE2 GLN 6 -2.385 4.681 -9.499
52 H LYS 7 H LYS 7 -1.729 -0.726 -7.521
53 HA LYS 7 HA LYS 7 -0.449 -2.169 -5.596
54 1HB LYS 7 2HB LYS 7 -0.123 -1.694 -8.426
55 2HB LYS 7 1HB LYS 7 1.473 -1.816 -7.727
56 1HG LYS 7 2HG LYS 7 -0.697 -3.838 -7.065
57 2HG LYS 7 1HG LYS 7 0.307 -4.011 -8.484
58 1HD LYS 7 2HD LYS 7 1.686 -3.511 -5.835
59 2HD LYS 7 1HD LYS 7 1.026 -5.106 -6.136
60 1HE LYS 7 2HE LYS 7 2.363 -5.331 -8.180
61 2HE LYS 7 1HE LYS 7 2.938 -3.675 -8.030
62 1HZ LYS 7 1HZ LYS 7 3.427 -5.846 -6.078
63 2HZ LYS 7 3HZ LYS 7 4.545 -5.264 -7.216
64 3HZ LYS 7 2HZ LYS 7 4.004 -4.253 -5.963
65 H CYS 8 H CYS 8 0.321 -1.261 -3.833
66 HA CYS 8 HA CYS 8 2.882 0.237 -3.990
67 1HB CYS 8 2HB CYS 8 2.157 1.805 -2.316
68 2HB CYS 8 1HB CYS 8 1.036 1.860 -3.644
69 H PHE 9 H PHE 9 4.265 -0.214 -2.278
70 HA PHE 9 HA PHE 9 3.612 -2.690 -0.819
71 1HB PHE 9 2HB PHE 9 5.946 -1.757 -2.007
72 2HB PHE 9 1HB PHE 9 6.267 -1.453 -0.312
73 HD1 PHE 9 HD2 PHE 9 6.072 -3.380 1.346
74 HD2 PHE 9 HD1 PHE 9 5.897 -3.987 -2.871
75 HE1 PHE 9 HE2 PHE 9 6.532 -5.766 1.666
76 HE2 PHE 9 HE1 PHE 9 6.361 -6.371 -2.546
77 HZ PHE 9 HZ PHE 9 6.679 -7.267 -0.278
78 H GLN 10 H GLN 10 4.024 -2.982 1.347
79 HA GLN 10 HA GLN 10 2.783 -1.199 3.097
80 1HB GLN 10 2HB GLN 10 4.651 -3.542 3.632
81 2HB GLN 10 1HB GLN 10 3.761 -2.725 4.897
82 1HG GLN 10 2HG GLN 10 2.352 -4.559 4.350
83 2HG GLN 10 1HG GLN 10 1.620 -3.230 3.470
84 1HE2 GLN 10 2HE2 GLN 10 2.145 -4.716 0.337
85 2HE2 GLN 10 1HE2 GLN 10 1.425 -3.468 1.239
86 H HIS 11 H HIS 11 5.918 -1.253 1.902
87 HA HIS 11 HA HIS 11 7.025 0.528 4.018
88 1HB HIS 11 2HB HIS 11 8.168 -1.527 2.169
89 2HB HIS 11 1HB HIS 11 9.133 -0.068 2.294
90 HD1 HIS 11 HD1 HIS 11 9.467 -3.050 3.688
91 HD2 HIS 11 HD2 HIS 11 8.795 0.531 5.526
92 HE1 HIS 11 HE1 HIS 11 10.261 -3.301 6.010
93 H LEU 12 H LEU 12 6.255 0.228 0.650
94 HA LEU 12 HA LEU 12 7.128 3.022 0.088
95 1HB LEU 12 2HB LEU 12 6.299 0.784 -1.812
96 2HB LEU 12 1HB LEU 12 6.944 2.341 -2.296
97 HG LEU 12 HG LEU 12 8.455 0.318 -0.555
98 1HD1 LEU 12 1HD1 LEU 12 8.768 0.966 -3.513
99 2HD1 LEU 12 3HD1 LEU 12 9.822 -0.091 -2.584
100 3HD1 LEU 12 2HD1 LEU 12 8.146 -0.539 -2.850
101 1HD2 LEU 12 3HD2 LEU 12 9.252 2.992 -1.790
102 2HD2 LEU 12 2HD2 LEU 12 9.314 2.529 -0.096
103 3HD2 LEU 12 1HD2 LEU 12 10.434 1.818 -1.239
104 H ASP 13 H ASP 13 5.281 3.489 1.525
105 HA ASP 13 HA ASP 13 2.593 3.293 0.361
106 1HB ASP 13 2HB ASP 13 3.726 4.499 2.914
107 2HB ASP 13 1HB ASP 13 2.043 4.719 2.460
108 H ASP 14 H ASP 14 2.680 4.376 -1.478
109 HA ASP 14 HA ASP 14 3.470 7.204 -1.646
110 1HB ASP 14 2HB ASP 14 2.696 6.748 -4.108
111 2HB ASP 14 1HB ASP 14 4.157 5.954 -3.551
112 H CYS 15 H CYS 15 0.718 5.267 -1.251
113 HA CYS 15 HA CYS 15 -1.433 6.572 -2.325
114 1HB CYS 15 2HB CYS 15 -1.450 5.478 0.442
115 2HB CYS 15 1HB CYS 15 -2.716 5.352 -0.759
116 H CYS 16 H CYS 16 -3.038 7.878 -1.538
117 HA CYS 16 HA CYS 16 -2.145 10.362 -0.382
118 1HB CYS 16 2HB CYS 16 -4.249 9.663 -1.956
119 2HB CYS 16 1HB CYS 16 -5.066 9.606 -0.423
120 H SER 17 H SER 17 -3.856 7.532 0.698
121 HA SER 17 HA SER 17 -4.297 8.423 3.426
122 1HB SER 17 2HB SER 17 -5.195 6.094 3.668
123 2HB SER 17 1HB SER 17 -5.849 6.831 2.202
124 HG SER 17 HG SER 17 -3.621 5.095 2.447
125 H ARG 18 H ARG 18 -1.734 7.187 1.670
126 HA ARG 18 HA ARG 18 0.356 6.318 2.153
127 1HB ARG 18 2HB ARG 18 -0.280 7.697 4.819
128 2HB ARG 18 1HB ARG 18 1.302 7.076 4.418
129 1HG ARG 18 2HG ARG 18 -0.179 9.141 2.718
130 2HG ARG 18 1HG ARG 18 0.973 9.562 3.963
131 1HD ARG 18 2HD ARG 18 1.567 8.012 1.405
132 2HD ARG 18 1HD ARG 18 2.189 9.586 1.873
133 HE ARG 18 HE ARG 18 2.988 6.985 3.084
134 1HH1 ARG 18 1HH2 ARG 18 3.061 9.374 4.926
135 2HH1 ARG 18 2HH2 ARG 18 4.696 9.914 4.741
136 1HH2 ARG 18 2HH1 ARG 18 5.177 8.056 1.805
137 2HH2 ARG 18 1HH1 ARG 18 5.929 9.147 2.923
138 H LYS 19 H LYS 19 -2.009 4.716 2.618
139 HA LYS 19 HA LYS 19 -0.922 2.696 4.519
140 1HB LYS 19 2HB LYS 19 -3.693 3.787 4.084
141 2HB LYS 19 1HB LYS 19 -3.508 2.113 4.547
142 1HG LYS 19 2HG LYS 19 -2.279 2.748 6.572
143 2HG LYS 19 1HG LYS 19 -2.224 4.428 6.062
144 1HD LYS 19 2HD LYS 19 -4.704 4.561 6.200
145 2HD LYS 19 1HD LYS 19 -4.774 2.873 6.679
146 1HE LYS 19 2HE LYS 19 -3.397 3.410 8.705
147 2HE LYS 19 1HE LYS 19 -3.401 5.106 8.237
148 1HZ LYS 19 1HZ LYS 19 -5.973 3.745 8.416
149 2HZ LYS 19 3HZ LYS 19 -5.171 4.111 9.867
150 3HZ LYS 19 2HZ LYS 19 -5.561 5.353 8.777
151 H CYS 20 H CYS 20 -0.373 0.894 3.530
152 HA CYS 20 HA CYS 20 -1.675 0.119 0.986
153 1HB CYS 20 2HB CYS 20 1.201 -0.053 1.935
154 2HB CYS 20 1HB CYS 20 0.607 -0.895 0.538
155 H ASN 21 H ASN 21 -2.879 -1.585 1.382
156 HA ASN 21 HA ASN 21 -2.728 -3.173 3.769
157 1HB ASN 21 2HB ASN 21 -4.439 -4.638 2.451
158 2HB ASN 21 1HB ASN 21 -4.890 -2.979 2.778
159 1HD2 ASN 21 2HD2 ASN 21 -3.535 -3.650 -1.043
160 2HD2 ASN 21 1HD2 ASN 21 -2.661 -4.238 0.284
161 H ARG 22 H ARG 22 -2.866 -5.632 3.519
162 HA ARG 22 HA ARG 22 -0.317 -6.613 2.961
163 1HB ARG 22 2HB ARG 22 -1.311 -8.807 3.518
164 2HB ARG 22 1HB ARG 22 -1.794 -7.566 4.651
165 1HG ARG 22 2HG ARG 22 -3.959 -7.299 3.317
166 2HG ARG 22 1HG ARG 22 -3.465 -8.679 2.351
167 1HD ARG 22 2HD ARG 22 -3.379 -10.095 4.383
168 2HD ARG 22 1HD ARG 22 -3.860 -8.718 5.375
169 HE ARG 22 HE ARG 22 -5.960 -8.680 3.865
170 1HH1 ARG 22 2HH1 ARG 22 -5.034 -11.087 2.317
171 2HH1 ARG 22 1HH1 ARG 22 -5.913 -12.368 3.086
172 1HH2 ARG 22 1HH2 ARG 22 -6.684 -10.417 5.893
173 2HH2 ARG 22 2HH2 ARG 22 -6.871 -11.977 5.165
174 H PHE 23 H PHE 23 -2.857 -6.037 0.796
175 HA PHE 23 HA PHE 23 -2.131 -8.148 -1.110
176 1HB PHE 23 2HB PHE 23 -4.087 -5.828 -1.407
177 2HB PHE 23 1HB PHE 23 -4.011 -7.294 -2.357
178 HD1 PHE 23 HD1 PHE 23 -4.462 -9.539 -1.190
179 HD2 PHE 23 HD2 PHE 23 -5.382 -5.783 0.602
180 HE1 PHE 23 HE1 PHE 23 -5.999 -10.651 0.366
181 HE2 PHE 23 HE2 PHE 23 -6.915 -6.899 2.155
182 HZ PHE 23 HZ PHE 23 -7.230 -9.334 2.039
183 H ASN 24 H ASN 24 -0.569 -5.649 -0.139
184 HA ASN 24 HA ASN 24 0.914 -4.088 -0.948
185 1HB ASN 24 2HB ASN 24 1.001 -6.159 -3.207
186 2HB ASN 24 1HB ASN 24 2.197 -4.885 -2.980
187 1HD2 ASN 24 2HD2 ASN 24 2.079 -8.020 -0.334
188 2HD2 ASN 24 1HD2 ASN 24 0.735 -7.703 -1.322
189 H LYS 25 H LYS 25 -1.689 -3.479 -1.337
190 HA LYS 25 HA LYS 25 -1.603 -1.738 -3.741
191 1HB LYS 25 2HB LYS 25 -3.689 -3.709 -2.821
192 2HB LYS 25 1HB LYS 25 -4.251 -2.196 -3.474
193 1HG LYS 25 2HG LYS 25 -2.917 -2.626 -5.555
194 2HG LYS 25 1HG LYS 25 -2.304 -4.111 -4.860
195 1HD LYS 25 2HD LYS 25 -5.302 -3.679 -5.100
196 2HD LYS 25 1HD LYS 25 -4.378 -4.200 -6.495
197 1HE LYS 25 2HE LYS 25 -3.561 -6.179 -5.280
198 2HE LYS 25 1HE LYS 25 -4.362 -5.639 -3.810
199 1HZ LYS 25 1HZ LYS 25 -6.092 -5.811 -6.100
200 2HZ LYS 25 3HZ LYS 25 -5.430 -7.296 -5.611
201 3HZ LYS 25 2HZ LYS 25 -6.320 -6.360 -4.509
202 H CYS 26 H CYS 26 -3.072 0.225 -3.346
203 HA CYS 26 HA CYS 26 -2.539 1.220 -0.689
204 1HB CYS 26 2HB CYS 26 -4.065 2.297 -3.046
205 2HB CYS 26 1HB CYS 26 -3.933 3.166 -1.553
206 H VAL 27 H VAL 27 -4.321 2.369 0.470
207 HA VAL 27 HA VAL 27 -6.775 0.671 0.657
208 HB VAL 27 HB VAL 27 -5.258 1.938 2.984
209 1HG1 VAL 27 3HG1 VAL 27 -7.570 -0.054 2.803
210 2HG1 VAL 27 2HG1 VAL 27 -6.677 0.238 4.286
211 3HG1 VAL 27 1HG1 VAL 27 -7.602 1.536 3.552
212 1HG2 VAL 27 2HG2 VAL 27 -5.227 -0.938 1.966
213 2HG2 VAL 27 1HG2 VAL 27 -3.858 0.150 1.968
214 3HG2 VAL 27 3HG2 VAL 27 -4.511 -0.429 3.485
No H/Q in entry = 214
Start of MODEL 10
1 1H CYS 1 3H CYS 1 -0.413 12.305 -5.243
2 2H CYS 1 2H CYS 1 0.810 12.564 -4.091
3 3H CYS 1 1H CYS 1 0.883 11.213 -5.118
4 HA CYS 1 HA CYS 1 0.174 10.529 -2.943
5 1HB CYS 1 2HB CYS 1 -1.349 11.751 -1.740
6 2HB CYS 1 1HB CYS 1 -1.009 13.013 -2.870
7 H ARG 2 H ARG 2 -0.122 8.577 -3.772
8 HA ARG 2 HA ARG 2 -1.645 7.970 -6.119
9 1HB ARG 2 2HB ARG 2 0.034 6.512 -4.175
10 2HB ARG 2 1HB ARG 2 -1.285 5.520 -4.744
11 1HG ARG 2 2HG ARG 2 0.519 7.093 -6.628
12 2HG ARG 2 1HG ARG 2 0.893 5.463 -6.117
13 1HD ARG 2 2HD ARG 2 -0.335 4.828 -7.938
14 2HD ARG 2 1HD ARG 2 -1.735 5.137 -6.917
15 HE ARG 2 HE ARG 2 -2.025 7.276 -8.010
16 1HH1 ARG 2 1HH2 ARG 2 0.918 7.707 -8.578
17 2HH1 ARG 2 2HH2 ARG 2 0.968 7.556 -10.303
18 1HH2 ARG 2 2HH1 ARG 2 -2.188 6.037 -10.455
19 2HH2 ARG 2 1HH1 ARG 2 -0.840 6.585 -11.396
20 H ILE 3 H ILE 3 -3.451 6.609 -6.378
21 HA ILE 3 HA ILE 3 -5.611 7.266 -4.590
22 HB ILE 3 HB ILE 3 -6.910 5.831 -6.257
23 1HG1 ILE 3 2HG1 ILE 3 -4.700 5.905 -8.243
24 2HG1 ILE 3 1HG1 ILE 3 -4.348 4.840 -6.906
25 1HG2 ILE 3 3HG2 ILE 3 -5.211 8.120 -7.328
26 2HG2 ILE 3 2HG2 ILE 3 -6.681 7.521 -8.078
27 3HG2 ILE 3 1HG2 ILE 3 -6.752 8.277 -6.496
28 1HD1 ILE 3 3HD1 ILE 3 -6.890 4.751 -8.554
29 2HD1 ILE 3 2HD1 ILE 3 -5.522 3.658 -8.725
30 3HD1 ILE 3 1HD1 ILE 3 -6.469 3.654 -7.244
31 HA HYP 4 HA HYP 4 -5.997 3.529 -2.079
32 1HB HYP 4 1HB HYP 4 -8.182 3.453 -1.345
33 2HB HYP 4 2HB HYP 4 -8.828 3.454 -2.974
34 1HD HYP 4 1HD1 HYP 4 -6.760 6.906 -2.734
35 2HD HYP 4 2HD1 HYP 4 -7.760 6.440 -4.120
36 HOD HYP 4 HD2 HYP 4 -7.591 6.718 -0.996
37 HG HYP 4 HG HYP 4 -9.340 5.729 -2.483
38 H ASN 5 H ASN 5 -6.226 1.370 -2.286
39 HA ASN 5 HA ASN 5 -6.022 -0.709 -3.200
40 1HB ASN 5 2HB ASN 5 -7.858 -1.381 -4.364
41 2HB ASN 5 1HB ASN 5 -8.432 0.224 -4.014
42 1HD2 ASN 5 2HD2 ASN 5 -7.347 0.843 -7.727
43 2HD2 ASN 5 1HD2 ASN 5 -6.414 1.199 -6.360
44 H GLN 6 H GLN 6 -4.593 1.812 -4.793
45 HA GLN 6 HA GLN 6 -3.738 0.337 -7.162
46 1HB GLN 6 2HB GLN 6 -4.036 2.803 -7.118
47 2HB GLN 6 1HB GLN 6 -2.697 2.953 -5.998
48 1HG GLN 6 2HG GLN 6 -1.953 3.394 -8.326
49 2HG GLN 6 1HG GLN 6 -1.166 1.948 -7.718
50 1HE2 GLN 6 2HE2 GLN 6 -3.938 1.695 -10.731
51 2HE2 GLN 6 1HE2 GLN 6 -3.821 3.105 -9.796
52 H LYS 7 H LYS 7 -1.923 -0.729 -7.471
53 HA LYS 7 HA LYS 7 -0.511 -2.008 -5.468
54 1HB LYS 7 2HB LYS 7 0.121 -1.399 -8.349
55 2HB LYS 7 1HB LYS 7 1.323 -2.217 -7.373
56 1HG LYS 7 2HG LYS 7 -1.553 -3.198 -7.447
57 2HG LYS 7 1HG LYS 7 -0.417 -3.675 -8.685
58 1HD LYS 7 2HD LYS 7 0.583 -3.991 -5.870
59 2HD LYS 7 1HD LYS 7 -0.760 -5.027 -6.302
60 1HE LYS 7 2HE LYS 7 1.339 -6.180 -6.810
61 2HE LYS 7 1HE LYS 7 0.537 -5.796 -8.326
62 1HZ LYS 7 2HZ LYS 7 2.494 -3.930 -7.164
63 2HZ LYS 7 1HZ LYS 7 3.013 -5.279 -8.058
64 3HZ LYS 7 3HZ LYS 7 2.013 -4.113 -8.782
65 H CYS 8 H CYS 8 0.436 -1.039 -3.852
66 HA CYS 8 HA CYS 8 2.684 0.856 -4.353
67 1HB CYS 8 2HB CYS 8 2.002 2.107 -2.363
68 2HB CYS 8 1HB CYS 8 0.784 2.137 -3.607
69 H PHE 9 H PHE 9 4.146 1.020 -2.538
70 HA PHE 9 HA PHE 9 4.753 -1.651 -1.439
71 1HB PHE 9 2HB PHE 9 6.301 0.948 -1.384
72 2HB PHE 9 1HB PHE 9 6.930 -0.589 -0.809
73 HD1 PHE 9 HD2 PHE 9 6.013 1.377 -3.784
74 HD2 PHE 9 HD1 PHE 9 7.459 -2.395 -2.414
75 HE1 PHE 9 HE2 PHE 9 6.709 0.808 -6.067
76 HE2 PHE 9 HE1 PHE 9 8.151 -2.956 -4.699
77 HZ PHE 9 HZ PHE 9 7.778 -1.358 -6.529
78 H GLN 10 H GLN 10 4.806 -2.178 0.658
79 HA GLN 10 HA GLN 10 3.157 -0.894 2.508
80 1HB GLN 10 2HB GLN 10 5.466 -2.816 3.052
81 2HB GLN 10 1HB GLN 10 4.200 -2.443 4.199
82 1HG GLN 10 2HG GLN 10 3.758 -3.763 1.470
83 2HG GLN 10 1HG GLN 10 3.759 -4.602 3.011
84 1HE2 GLN 10 2HE2 GLN 10 0.418 -2.766 1.780
85 2HE2 GLN 10 1HE2 GLN 10 1.775 -2.982 0.787
86 H HIS 11 H HIS 11 6.637 -1.067 2.308
87 HA HIS 11 HA HIS 11 7.217 0.768 4.437
88 1HB HIS 11 2HB HIS 11 8.758 -1.039 3.489
89 2HB HIS 11 1HB HIS 11 9.041 0.016 2.112
90 HD1 HIS 11 HD1 HIS 11 10.498 2.081 2.602
91 HD2 HIS 11 HD2 HIS 11 9.778 -0.109 5.970
92 HE1 HIS 11 HE1 HIS 11 12.007 2.972 4.342
93 H LEU 12 H LEU 12 7.476 1.090 0.939
94 HA LEU 12 HA LEU 12 7.655 4.051 1.159
95 1HB LEU 12 2HB LEU 12 7.880 2.192 -1.269
96 2HB LEU 12 1HB LEU 12 8.141 3.920 -1.303
97 HG LEU 12 HG LEU 12 9.753 2.064 0.514
98 1HD1 LEU 12 3HD1 LEU 12 10.408 3.008 -2.310
99 2HD1 LEU 12 2HD1 LEU 12 11.542 2.210 -1.233
100 3HD1 LEU 12 1HD1 LEU 12 10.126 1.348 -1.807
101 1HD2 LEU 12 3HD2 LEU 12 10.094 4.942 -0.441
102 2HD2 LEU 12 2HD2 LEU 12 9.908 4.384 1.213
103 3HD2 LEU 12 1HD2 LEU 12 11.385 4.039 0.335
104 H ASP 13 H ASP 13 5.543 3.784 2.125
105 HA ASP 13 HA ASP 13 3.220 3.246 0.513
106 1HB ASP 13 2HB ASP 13 3.611 3.508 3.200
107 2HB ASP 13 1HB ASP 13 2.998 5.117 2.880
108 H ASP 14 H ASP 14 3.242 4.320 -1.288
109 HA ASP 14 HA ASP 14 3.696 7.213 -1.475
110 1HB ASP 14 2HB ASP 14 3.285 6.653 -3.965
111 2HB ASP 14 1HB ASP 14 4.692 5.919 -3.219
112 H CYS 15 H CYS 15 1.071 5.298 -0.766
113 HA CYS 15 HA CYS 15 -1.037 6.440 -2.275
114 1HB CYS 15 2HB CYS 15 -1.272 5.403 0.534
115 2HB CYS 15 1HB CYS 15 -2.472 5.374 -0.726
116 H CYS 16 H CYS 16 -2.731 7.740 -1.582
117 HA CYS 16 HA CYS 16 -1.876 10.253 -0.392
118 1HB CYS 16 2HB CYS 16 -3.768 9.618 -2.240
119 2HB CYS 16 1HB CYS 16 -4.788 9.593 -0.831
120 H SER 17 H SER 17 -3.726 7.443 0.444
121 HA SER 17 HA SER 17 -4.561 8.353 3.076
122 1HB SER 17 2HB SER 17 -5.581 6.114 3.180
123 2HB SER 17 1HB SER 17 -5.841 6.716 1.539
124 HG SER 17 HG SER 17 -3.816 5.677 1.009
125 H ARG 18 H ARG 18 -1.694 7.526 1.841
126 HA ARG 18 HA ARG 18 0.304 6.606 2.540
127 1HB ARG 18 2HB ARG 18 1.065 7.526 4.663
128 2HB ARG 18 1HB ARG 18 0.079 8.724 3.862
129 1HG ARG 18 2HG ARG 18 -1.699 8.514 5.394
130 2HG ARG 18 1HG ARG 18 -1.228 6.902 5.907
131 1HD ARG 18 2HD ARG 18 0.520 9.315 6.468
132 2HD ARG 18 1HD ARG 18 -0.737 8.760 7.573
133 HE ARG 18 HE ARG 18 1.252 6.755 6.667
134 1HH1 ARG 18 1HH1 ARG 18 0.528 6.613 10.328
135 2HH1 ARG 18 2HH1 ARG 18 -0.482 6.230 8.973
136 1HH2 ARG 18 1HH2 ARG 18 2.799 8.428 8.369
137 2HH2 ARG 18 2HH2 ARG 18 2.437 7.892 9.976
138 H LYS 19 H LYS 19 -1.965 4.813 2.707
139 HA LYS 19 HA LYS 19 -0.883 2.831 4.624
140 1HB LYS 19 2HB LYS 19 -3.659 3.912 4.296
141 2HB LYS 19 1HB LYS 19 -3.485 2.219 4.666
142 1HG LYS 19 2HG LYS 19 -2.082 2.833 6.671
143 2HG LYS 19 1HG LYS 19 -2.313 4.529 6.291
144 1HD LYS 19 2HD LYS 19 -4.669 2.645 6.731
145 2HD LYS 19 1HD LYS 19 -3.894 3.481 8.061
146 1HE LYS 19 2HE LYS 19 -4.341 5.677 6.900
147 2HE LYS 19 1HE LYS 19 -5.227 4.802 5.658
148 1HZ LYS 19 2HZ LYS 19 -6.621 3.891 7.486
149 2HZ LYS 19 1HZ LYS 19 -5.870 4.996 8.534
150 3HZ LYS 19 3HZ LYS 19 -6.782 5.560 7.216
151 H CYS 20 H CYS 20 -0.381 0.992 3.624
152 HA CYS 20 HA CYS 20 -1.711 0.277 1.078
153 1HB CYS 20 2HB CYS 20 1.171 0.061 2.000
154 2HB CYS 20 1HB CYS 20 0.556 -0.838 0.648
155 H ASN 21 H ASN 21 -2.813 -1.576 1.301
156 HA ASN 21 HA ASN 21 -2.594 -3.148 3.747
157 1HB ASN 21 2HB ASN 21 -4.585 -4.281 2.953
158 2HB ASN 21 1HB ASN 21 -4.764 -2.572 2.599
159 1HD2 ASN 21 2HD2 ASN 21 -4.356 -3.031 -0.927
160 2HD2 ASN 21 1HD2 ASN 21 -4.046 -1.910 0.309
161 H ARG 22 H ARG 22 -3.076 -5.570 3.279
162 HA ARG 22 HA ARG 22 -0.673 -6.854 2.864
163 1HB ARG 22 2HB ARG 22 -1.962 -8.914 3.107
164 2HB ARG 22 1HB ARG 22 -2.565 -7.692 4.200
165 1HG ARG 22 2HG ARG 22 -4.093 -7.316 1.823
166 2HG ARG 22 1HG ARG 22 -3.940 -9.054 1.978
167 1HD ARG 22 2HD ARG 22 -4.925 -7.199 4.186
168 2HD ARG 22 1HD ARG 22 -5.958 -8.176 3.145
169 HE ARG 22 HE ARG 22 -4.007 -9.876 4.355
170 1HH1 ARG 22 2HH1 ARG 22 -6.830 -10.595 4.289
171 2HH1 ARG 22 1HH1 ARG 22 -7.338 -10.424 5.936
172 1HH2 ARG 22 1HH2 ARG 22 -4.555 -8.476 6.797
173 2HH2 ARG 22 2HH2 ARG 22 -6.015 -9.192 7.394
174 H PHE 23 H PHE 23 -3.012 -6.129 0.400
175 HA PHE 23 HA PHE 23 -1.869 -8.069 -1.488
176 1HB PHE 23 2HB PHE 23 -4.024 -5.933 -1.840
177 2HB PHE 23 1HB PHE 23 -3.676 -7.245 -2.943
178 HD1 PHE 23 HD1 PHE 23 -3.405 -9.621 -1.296
179 HD2 PHE 23 HD2 PHE 23 -6.097 -6.350 -0.791
180 HE1 PHE 23 HE1 PHE 23 -4.936 -11.065 -0.048
181 HE2 PHE 23 HE2 PHE 23 -7.618 -7.803 0.458
182 HZ PHE 23 HZ PHE 23 -7.046 -10.164 0.833
183 H ASN 24 H ASN 24 -0.459 -5.710 -0.277
184 HA ASN 24 HA ASN 24 1.010 -4.018 -0.847
185 1HB ASN 24 2HB ASN 24 1.286 -5.730 -3.378
186 2HB ASN 24 1HB ASN 24 2.493 -4.614 -2.749
187 1HD2 ASN 24 2HD2 ASN 24 3.555 -6.788 -0.140
188 2HD2 ASN 24 1HD2 ASN 24 3.537 -5.178 -0.680
189 H LYS 25 H LYS 25 -1.610 -3.514 -1.355
190 HA LYS 25 HA LYS 25 -1.539 -1.643 -3.668
191 1HB LYS 25 2HB LYS 25 -3.601 -3.603 -2.676
192 2HB LYS 25 1HB LYS 25 -4.178 -2.099 -3.353
193 1HG LYS 25 2HG LYS 25 -2.986 -2.537 -5.458
194 2HG LYS 25 1HG LYS 25 -2.177 -3.925 -4.757
195 1HD LYS 25 2HD LYS 25 -4.268 -5.150 -4.566
196 2HD LYS 25 1HD LYS 25 -5.203 -3.743 -5.045
197 1HE LYS 25 2HE LYS 25 -4.053 -3.769 -7.275
198 2HE LYS 25 1HE LYS 25 -3.180 -5.217 -6.789
199 1HZ LYS 25 2HZ LYS 25 -6.125 -4.962 -6.954
200 2HZ LYS 25 1HZ LYS 25 -5.129 -5.737 -8.091
201 3HZ LYS 25 3HZ LYS 25 -5.267 -6.361 -6.518
202 H CYS 26 H CYS 26 -3.162 0.200 -3.244
203 HA CYS 26 HA CYS 26 -2.499 1.320 -0.641
204 1HB CYS 26 2HB CYS 26 -3.992 2.291 -3.054
205 2HB CYS 26 1HB CYS 26 -3.922 3.240 -1.597
206 H VAL 27 H VAL 27 -4.253 2.606 0.429
207 HA VAL 27 HA VAL 27 -6.673 0.912 0.903
208 HB VAL 27 HB VAL 27 -4.943 2.494 2.860
209 1HG1 VAL 27 3HG1 VAL 27 -7.616 1.101 3.287
210 2HG1 VAL 27 2HG1 VAL 27 -6.511 1.430 4.612
211 3HG1 VAL 27 1HG1 VAL 27 -7.188 2.758 3.690
212 1HG2 VAL 27 2HG2 VAL 27 -4.079 0.229 2.139
213 2HG2 VAL 27 1HG2 VAL 27 -4.493 0.261 3.843
214 3HG2 VAL 27 3HG2 VAL 27 -5.584 -0.488 2.689
No H/Q in entry = 214
Start of MODEL 11
1 1H CYS 1 2H CYS 1 -1.032 12.749 -5.259
2 2H CYS 1 1H CYS 1 0.105 13.190 -4.076
3 3H CYS 1 3H CYS 1 0.458 11.940 -5.172
4 HA CYS 1 HA CYS 1 -0.110 11.005 -3.046
5 1HB CYS 1 2HB CYS 1 -1.857 11.818 -1.808
6 2HB CYS 1 1HB CYS 1 -1.782 13.182 -2.863
7 H ARG 2 H ARG 2 -0.352 8.930 -3.628
8 HA ARG 2 HA ARG 2 -1.577 8.198 -6.168
9 1HB ARG 2 2HB ARG 2 0.504 7.167 -5.345
10 2HB ARG 2 1HB ARG 2 -0.327 6.494 -3.968
11 1HG ARG 2 2HG ARG 2 -1.835 5.242 -5.642
12 2HG ARG 2 1HG ARG 2 -0.727 5.778 -6.894
13 1HD ARG 2 2HD ARG 2 0.064 4.172 -4.420
14 2HD ARG 2 1HD ARG 2 -0.099 3.494 -6.025
15 HE ARG 2 HE ARG 2 1.982 5.473 -5.226
16 1HH1 ARG 2 2HH1 ARG 2 1.787 5.873 -7.980
17 2HH1 ARG 2 1HH1 ARG 2 2.698 4.596 -8.713
18 1HH2 ARG 2 1HH2 ARG 2 2.643 2.626 -5.814
19 2HH2 ARG 2 2HH2 ARG 2 3.195 2.706 -7.454
20 H ILE 3 H ILE 3 -3.471 7.214 -6.533
21 HA ILE 3 HA ILE 3 -5.608 7.457 -4.736
22 HB ILE 3 HB ILE 3 -6.885 6.249 -6.465
23 1HG1 ILE 3 2HG1 ILE 3 -4.138 5.464 -7.550
24 2HG1 ILE 3 1HG1 ILE 3 -5.385 4.394 -6.938
25 1HG2 ILE 3 2HG2 ILE 3 -5.967 8.653 -6.793
26 2HG2 ILE 3 1HG2 ILE 3 -4.806 7.937 -7.896
27 3HG2 ILE 3 3HG2 ILE 3 -6.526 7.820 -8.230
28 1HD1 ILE 3 2HD1 ILE 3 -6.907 5.276 -8.808
29 2HD1 ILE 3 1HD1 ILE 3 -5.451 5.965 -9.515
30 3HD1 ILE 3 3HD1 ILE 3 -5.582 4.231 -9.288
31 HA HYP 4 HA HYP 4 -5.790 3.731 -2.262
32 1HB HYP 4 1HB HYP 4 -7.908 3.586 -1.444
33 2HB HYP 4 2HB HYP 4 -8.608 3.316 -3.028
34 1HD HYP 4 1HD1 HYP 4 -6.965 7.024 -3.157
35 2HD HYP 4 2HD1 HYP 4 -7.850 6.296 -4.507
36 HOD HYP 4 HD2 HYP 4 -8.274 6.881 -1.304
37 HG HYP 4 HG HYP 4 -9.366 5.562 -2.802
38 H ASN 5 H ASN 5 -6.287 1.488 -2.362
39 HA ASN 5 HA ASN 5 -5.843 -0.592 -3.246
40 1HB ASN 5 2HB ASN 5 -7.538 -1.367 -4.759
41 2HB ASN 5 1HB ASN 5 -8.286 -0.121 -3.784
42 1HD2 ASN 5 2HD2 ASN 5 -7.719 0.522 -7.790
43 2HD2 ASN 5 1HD2 ASN 5 -6.871 -0.726 -7.011
44 H GLN 6 H GLN 6 -4.347 1.814 -4.641
45 HA GLN 6 HA GLN 6 -3.595 0.552 -7.180
46 1HB GLN 6 2HB GLN 6 -3.797 3.129 -6.480
47 2HB GLN 6 1HB GLN 6 -2.133 2.917 -6.013
48 1HG GLN 6 2HG GLN 6 -2.837 1.815 -8.727
49 2HG GLN 6 1HG GLN 6 -2.994 3.552 -8.572
50 1HE2 GLN 6 2HE2 GLN 6 0.447 4.089 -8.788
51 2HE2 GLN 6 1HE2 GLN 6 -1.124 4.722 -8.874
52 H LYS 7 H LYS 7 -1.695 -0.368 -7.620
53 HA LYS 7 HA LYS 7 -0.382 -1.917 -5.738
54 1HB LYS 7 2HB LYS 7 0.078 -1.119 -8.552
55 2HB LYS 7 1HB LYS 7 1.542 -1.622 -7.740
56 1HG LYS 7 2HG LYS 7 -1.001 -3.273 -7.555
57 2HG LYS 7 1HG LYS 7 0.096 -3.444 -8.909
58 1HD LYS 7 2HD LYS 7 1.822 -4.345 -7.620
59 2HD LYS 7 1HD LYS 7 1.305 -3.559 -6.142
60 1HE LYS 7 2HE LYS 7 -0.345 -5.756 -7.450
61 2HE LYS 7 1HE LYS 7 0.912 -6.093 -6.268
62 1HZ LYS 7 2HZ LYS 7 -1.096 -4.075 -5.610
63 2HZ LYS 7 1HZ LYS 7 -1.543 -5.713 -5.547
64 3HZ LYS 7 3HZ LYS 7 -0.254 -5.145 -4.599
65 H CYS 8 H CYS 8 0.526 -1.201 -3.986
66 HA CYS 8 HA CYS 8 2.914 0.553 -4.151
67 1HB CYS 8 2HB CYS 8 2.151 1.835 -2.230
68 2HB CYS 8 1HB CYS 8 1.024 1.967 -3.545
69 H PHE 9 H PHE 9 3.497 0.601 -1.434
70 HA PHE 9 HA PHE 9 3.601 -2.270 -0.628
71 1HB PHE 9 2HB PHE 9 6.014 -0.419 -0.618
72 2HB PHE 9 1HB PHE 9 6.002 -2.113 -0.167
73 HD1 PHE 9 HD2 PHE 9 5.698 0.243 -3.012
74 HD2 PHE 9 HD1 PHE 9 5.952 -3.852 -1.864
75 HE1 PHE 9 HE2 PHE 9 6.095 -0.388 -5.345
76 HE2 PHE 9 HE1 PHE 9 6.346 -4.481 -4.201
77 HZ PHE 9 HZ PHE 9 6.420 -2.750 -5.947
78 H GLN 10 H GLN 10 3.924 -2.716 1.468
79 HA GLN 10 HA GLN 10 2.665 -1.114 3.373
80 1HB GLN 10 2HB GLN 10 4.530 -3.504 3.624
81 2HB GLN 10 1HB GLN 10 3.748 -2.791 5.019
82 1HG GLN 10 2HG GLN 10 2.248 -4.520 4.415
83 2HG GLN 10 1HG GLN 10 1.512 -3.109 3.683
84 1HE2 GLN 10 2HE2 GLN 10 2.013 -4.246 0.367
85 2HE2 GLN 10 1HE2 GLN 10 1.533 -2.947 1.350
86 H HIS 11 H HIS 11 5.856 -1.141 2.226
87 HA HIS 11 HA HIS 11 6.958 0.450 4.463
88 1HB HIS 11 2HB HIS 11 8.135 -1.604 3.301
89 2HB HIS 11 1HB HIS 11 8.501 -0.472 2.009
90 HD1 HIS 11 HD1 HIS 11 10.022 1.570 2.767
91 HD2 HIS 11 HD2 HIS 11 9.566 -1.298 5.626
92 HE1 HIS 11 HE1 HIS 11 11.758 2.013 4.466
93 H LEU 12 H LEU 12 6.681 0.490 0.958
94 HA LEU 12 HA LEU 12 7.201 3.411 0.854
95 1HB LEU 12 2HB LEU 12 6.824 1.371 -1.391
96 2HB LEU 12 1HB LEU 12 7.259 3.047 -1.621
97 HG LEU 12 HG LEU 12 8.957 1.182 0.097
98 1HD1 LEU 12 2HD1 LEU 12 9.249 1.786 -2.880
99 2HD1 LEU 12 1HD1 LEU 12 10.419 0.915 -1.901
100 3HD1 LEU 12 3HD1 LEU 12 8.832 0.226 -2.186
101 1HD2 LEU 12 2HD2 LEU 12 9.455 3.866 -1.270
102 2HD2 LEU 12 1HD2 LEU 12 9.407 3.560 0.459
103 3HD2 LEU 12 3HD2 LEU 12 10.717 2.913 -0.508
104 H ASP 13 H ASP 13 5.169 3.453 2.122
105 HA ASP 13 HA ASP 13 2.632 3.133 0.711
106 1HB ASP 13 2HB ASP 13 3.132 4.679 3.302
107 2HB ASP 13 1HB ASP 13 1.627 3.963 2.746
108 H ASP 14 H ASP 14 3.073 4.324 -1.091
109 HA ASP 14 HA ASP 14 3.493 7.238 -0.970
110 1HB ASP 14 2HB ASP 14 3.270 6.795 -3.598
111 2HB ASP 14 1HB ASP 14 4.729 6.340 -2.744
112 H CYS 15 H CYS 15 0.927 5.387 -0.458
113 HA CYS 15 HA CYS 15 -1.116 6.395 -2.171
114 1HB CYS 15 2HB CYS 15 -1.510 5.397 0.631
115 2HB CYS 15 1HB CYS 15 -2.596 5.286 -0.723
116 H CYS 16 H CYS 16 -2.898 7.645 -1.552
117 HA CYS 16 HA CYS 16 -2.197 10.233 -0.513
118 1HB CYS 16 2HB CYS 16 -4.134 9.320 -2.183
119 2HB CYS 16 1HB CYS 16 -5.066 9.317 -0.714
120 H SER 17 H SER 17 -3.762 7.365 0.642
121 HA SER 17 HA SER 17 -4.436 8.393 3.286
122 1HB SER 17 2HB SER 17 -5.245 6.042 3.598
123 2HB SER 17 1HB SER 17 -5.836 6.661 2.053
124 HG SER 17 HG SER 17 -4.253 5.580 1.008
125 H ARG 18 H ARG 18 -1.799 7.065 1.678
126 HA ARG 18 HA ARG 18 0.326 6.396 2.260
127 1HB ARG 18 2HB ARG 18 -0.278 8.540 3.902
128 2HB ARG 18 1HB ARG 18 0.087 7.329 5.116
129 1HG ARG 18 2HG ARG 18 2.275 6.877 3.926
130 2HG ARG 18 1HG ARG 18 1.881 8.158 2.792
131 1HD ARG 18 2HD ARG 18 3.278 9.213 4.425
132 2HD ARG 18 1HD ARG 18 1.651 9.706 4.873
133 HE ARG 18 HE ARG 18 1.696 8.012 6.662
134 1HH1 ARG 18 1HH2 ARG 18 3.939 6.420 5.310
135 2HH1 ARG 18 2HH2 ARG 18 5.260 6.741 6.384
136 1HH2 ARG 18 2HH1 ARG 18 3.635 9.439 7.912
137 2HH2 ARG 18 1HH1 ARG 18 5.085 8.491 7.892
138 H LYS 19 H LYS 19 -1.946 4.669 2.643
139 HA LYS 19 HA LYS 19 -0.816 2.720 4.574
140 1HB LYS 19 2HB LYS 19 -3.612 3.768 4.222
141 2HB LYS 19 1HB LYS 19 -3.400 2.104 4.676
142 1HG LYS 19 2HG LYS 19 -1.702 3.934 6.289
143 2HG LYS 19 1HG LYS 19 -3.399 4.351 6.387
144 1HD LYS 19 2HD LYS 19 -3.897 1.918 6.952
145 2HD LYS 19 1HD LYS 19 -2.167 1.636 7.015
146 1HE LYS 19 2HE LYS 19 -2.901 2.071 9.285
147 2HE LYS 19 1HE LYS 19 -2.028 3.505 8.763
148 1HZ LYS 19 2HZ LYS 19 -4.961 3.244 8.509
149 2HZ LYS 19 1HZ LYS 19 -4.209 3.885 9.890
150 3HZ LYS 19 3HZ LYS 19 -4.020 4.651 8.387
151 H CYS 20 H CYS 20 -0.303 0.869 3.586
152 HA CYS 20 HA CYS 20 -1.714 0.084 1.100
153 1HB CYS 20 2HB CYS 20 1.195 -0.145 1.933
154 2HB CYS 20 1HB CYS 20 0.519 -0.969 0.567
155 H ASN 21 H ASN 21 -2.835 -1.704 1.452
156 HA ASN 21 HA ASN 21 -2.620 -3.246 3.876
157 1HB ASN 21 2HB ASN 21 -4.441 -4.597 2.896
158 2HB ASN 21 1HB ASN 21 -4.747 -2.889 2.664
159 1HD2 ASN 21 2HD2 ASN 21 -5.514 -4.134 -0.601
160 2HD2 ASN 21 1HD2 ASN 21 -6.206 -3.885 0.928
161 H ARG 22 H ARG 22 -2.906 -5.784 3.403
162 HA ARG 22 HA ARG 22 -0.311 -6.759 2.977
163 1HB ARG 22 2HB ARG 22 -1.314 -8.947 3.413
164 2HB ARG 22 1HB ARG 22 -1.947 -7.758 4.527
165 1HG ARG 22 2HG ARG 22 -3.977 -7.506 3.016
166 2HG ARG 22 1HG ARG 22 -3.340 -8.800 2.017
167 1HD ARG 22 2HD ARG 22 -4.919 -9.815 3.534
168 2HD ARG 22 1HD ARG 22 -3.321 -10.274 4.108
169 HE ARG 22 HE ARG 22 -3.534 -8.393 5.780
170 1HH1 ARG 22 2HH1 ARG 22 -5.928 -7.061 4.773
171 2HH1 ARG 22 1HH1 ARG 22 -7.202 -7.728 5.739
172 1HH2 ARG 22 1HH2 ARG 22 -5.254 -10.447 6.783
173 2HH2 ARG 22 2HH2 ARG 22 -6.809 -9.697 6.909
174 H PHE 23 H PHE 23 -2.857 -6.186 0.776
175 HA PHE 23 HA PHE 23 -1.951 -8.122 -1.233
176 1HB PHE 23 2HB PHE 23 -4.134 -5.993 -1.258
177 2HB PHE 23 1HB PHE 23 -3.879 -7.196 -2.499
178 HD1 PHE 23 HD2 PHE 23 -4.074 -9.671 -1.872
179 HD2 PHE 23 HD1 PHE 23 -5.352 -6.549 0.734
180 HE1 PHE 23 HE2 PHE 23 -5.427 -11.275 -0.607
181 HE2 PHE 23 HE1 PHE 23 -6.702 -8.158 1.995
182 HZ PHE 23 HZ PHE 23 -6.744 -10.524 1.329
183 H ASN 24 H ASN 24 -0.483 -5.614 -0.191
184 HA ASN 24 HA ASN 24 0.842 -3.894 -1.002
185 1HB ASN 24 2HB ASN 24 1.063 -6.195 -2.964
186 2HB ASN 24 1HB ASN 24 1.830 -4.681 -3.430
187 1HD2 ASN 24 2HD2 ASN 24 3.167 -6.589 -0.043
188 2HD2 ASN 24 1HD2 ASN 24 1.558 -6.813 -0.537
189 H LYS 25 H LYS 25 -1.825 -3.563 -1.324
190 HA LYS 25 HA LYS 25 -2.028 -1.789 -3.707
191 1HB LYS 25 2HB LYS 25 -3.926 -3.800 -2.498
192 2HB LYS 25 1HB LYS 25 -4.615 -2.327 -3.129
193 1HG LYS 25 2HG LYS 25 -3.182 -2.863 -5.279
194 2HG LYS 25 1HG LYS 25 -3.051 -4.473 -4.598
195 1HD LYS 25 2HD LYS 25 -5.327 -4.939 -4.839
196 2HD LYS 25 1HD LYS 25 -5.808 -3.259 -4.755
197 1HE LYS 25 2HE LYS 25 -4.272 -3.296 -7.092
198 2HE LYS 25 1HE LYS 25 -5.048 -4.871 -7.113
199 1HZ LYS 25 1HZ LYS 25 -6.461 -2.296 -6.733
200 2HZ LYS 25 3HZ LYS 25 -6.350 -3.146 -8.199
201 3HZ LYS 25 2HZ LYS 25 -7.173 -3.831 -6.880
202 H CYS 26 H CYS 26 -3.136 0.223 -3.228
203 HA CYS 26 HA CYS 26 -2.595 1.163 -0.557
204 1HB CYS 26 2HB CYS 26 -3.976 2.351 -2.952
205 2HB CYS 26 1HB CYS 26 -3.852 3.205 -1.450
206 H VAL 27 H VAL 27 -4.285 2.446 0.560
207 HA VAL 27 HA VAL 27 -6.844 0.898 0.770
208 HB VAL 27 HB VAL 27 -5.250 2.237 3.014
209 1HG1 VAL 27 3HG1 VAL 27 -7.805 0.570 2.995
210 2HG1 VAL 27 2HG1 VAL 27 -6.856 0.828 4.451
211 3HG1 VAL 27 1HG1 VAL 27 -7.596 2.193 3.637
212 1HG2 VAL 27 2HG2 VAL 27 -5.585 -0.719 2.294
213 2HG2 VAL 27 1HG2 VAL 27 -4.100 0.195 2.126
214 3HG2 VAL 27 3HG2 VAL 27 -4.751 -0.122 3.720
No H/Q in entry = 214
Start of MODEL 12
1 1H CYS 1 1H CYS 1 0.652 11.306 -5.183
2 2H CYS 1 3H CYS 1 -0.528 12.522 -5.074
3 3H CYS 1 2H CYS 1 0.809 12.542 -4.027
4 HA CYS 1 HA CYS 1 0.071 10.508 -2.983
5 1HB CYS 1 2HB CYS 1 -1.314 11.724 -1.615
6 2HB CYS 1 1HB CYS 1 -0.973 13.040 -2.678
7 H ARG 2 H ARG 2 -0.487 8.620 -3.812
8 HA ARG 2 HA ARG 2 -2.221 8.321 -6.120
9 1HB ARG 2 2HB ARG 2 -0.683 6.379 -4.372
10 2HB ARG 2 1HB ARG 2 -1.771 5.797 -5.611
11 1HG ARG 2 2HG ARG 2 0.474 7.785 -6.165
12 2HG ARG 2 1HG ARG 2 0.657 6.053 -6.342
13 1HD ARG 2 2HD ARG 2 -1.527 6.258 -7.863
14 2HD ARG 2 1HD ARG 2 -1.027 7.939 -7.991
15 HE ARG 2 HE ARG 2 1.160 7.114 -8.876
16 1HH1 ARG 2 2HH1 ARG 2 1.468 4.407 -8.478
17 2HH1 ARG 2 1HH1 ARG 2 0.730 3.613 -9.830
18 1HH2 ARG 2 1HH2 ARG 2 -1.125 6.442 -10.736
19 2HH2 ARG 2 2HH2 ARG 2 -0.776 4.795 -11.141
20 H ILE 3 H ILE 3 -3.919 6.821 -6.306
21 HA ILE 3 HA ILE 3 -6.024 7.280 -4.412
22 HB ILE 3 HB ILE 3 -7.322 5.853 -6.039
23 1HG1 ILE 3 2HG1 ILE 3 -4.686 5.628 -7.571
24 2HG1 ILE 3 1HG1 ILE 3 -5.331 4.334 -6.585
25 1HG2 ILE 3 3HG2 ILE 3 -6.917 8.331 -6.401
26 2HG2 ILE 3 2HG2 ILE 3 -5.557 7.915 -7.430
27 3HG2 ILE 3 1HG2 ILE 3 -7.185 7.443 -7.888
28 1HD1 ILE 3 3HD1 ILE 3 -7.464 4.474 -7.979
29 2HD1 ILE 3 2HD1 ILE 3 -6.561 5.516 -9.075
30 3HD1 ILE 3 1HD1 ILE 3 -6.034 3.864 -8.799
31 HA HYP 4 HA HYP 4 -6.082 3.293 -2.176
32 1HB HYP 4 1HB HYP 4 -8.205 3.045 -1.361
33 2HB HYP 4 2HB HYP 4 -8.901 2.951 -2.963
34 1HD HYP 4 1HD1 HYP 4 -7.287 6.671 -2.587
35 2HD HYP 4 2HD1 HYP 4 -8.162 6.153 -4.037
36 HOD HYP 4 HD2 HYP 4 -8.630 6.320 -0.855
37 HG HYP 4 HG HYP 4 -9.698 5.138 -2.534
38 H ASN 5 H ASN 5 -6.071 1.180 -2.693
39 HA ASN 5 HA ASN 5 -5.929 -0.783 -3.870
40 1HB ASN 5 2HB ASN 5 -7.533 -1.223 -5.439
41 2HB ASN 5 1HB ASN 5 -8.168 0.332 -4.986
42 1HD2 ASN 5 2HD2 ASN 5 -6.427 1.543 -8.238
43 2HD2 ASN 5 1HD2 ASN 5 -5.893 1.752 -6.644
44 H GLN 6 H GLN 6 -4.522 2.073 -4.948
45 HA GLN 6 HA GLN 6 -3.171 1.238 -7.304
46 1HB GLN 6 2HB GLN 6 -3.305 3.617 -6.422
47 2HB GLN 6 1HB GLN 6 -2.160 3.184 -5.178
48 1HG GLN 6 2HG GLN 6 -0.877 4.192 -6.950
49 2HG GLN 6 1HG GLN 6 -0.542 2.474 -7.042
50 1HE2 GLN 6 2HE2 GLN 6 -3.026 4.117 -9.891
51 2HE2 GLN 6 1HE2 GLN 6 -2.994 4.792 -8.334
52 H LYS 7 H LYS 7 -1.665 -0.253 -7.576
53 HA LYS 7 HA LYS 7 -0.651 -1.942 -5.588
54 1HB LYS 7 2HB LYS 7 -0.636 -2.192 -8.180
55 2HB LYS 7 1HB LYS 7 0.889 -1.340 -8.151
56 1HG LYS 7 2HG LYS 7 0.536 -3.679 -6.259
57 2HG LYS 7 1HG LYS 7 0.724 -4.040 -7.957
58 1HD LYS 7 2HD LYS 7 2.694 -2.093 -6.741
59 2HD LYS 7 1HD LYS 7 2.844 -3.777 -6.297
60 1HE LYS 7 2HE LYS 7 2.598 -2.977 -9.216
61 2HE LYS 7 1HE LYS 7 4.151 -2.958 -8.395
62 1HZ LYS 7 2HZ LYS 7 2.464 -5.338 -8.165
63 2HZ LYS 7 1HZ LYS 7 3.323 -5.074 -9.606
64 3HZ LYS 7 3HZ LYS 7 4.156 -5.199 -8.130
65 H CYS 8 H CYS 8 0.310 -1.170 -3.875
66 HA CYS 8 HA CYS 8 2.903 0.255 -4.149
67 1HB CYS 8 2HB CYS 8 2.283 1.811 -2.400
68 2HB CYS 8 1HB CYS 8 1.161 1.911 -3.732
69 H PHE 9 H PHE 9 4.385 -0.244 -2.615
70 HA PHE 9 HA PHE 9 3.785 -2.636 -0.984
71 1HB PHE 9 2HB PHE 9 6.219 -1.356 -2.135
72 2HB PHE 9 1HB PHE 9 6.462 -2.042 -0.534
73 HD1 PHE 9 HD2 PHE 9 4.742 -2.932 -3.763
74 HD2 PHE 9 HD1 PHE 9 7.033 -4.311 -0.442
75 HE1 PHE 9 HE2 PHE 9 4.817 -5.179 -4.745
76 HE2 PHE 9 HE1 PHE 9 7.105 -6.556 -1.430
77 HZ PHE 9 HZ PHE 9 5.998 -6.994 -3.580
78 H GLN 10 H GLN 10 4.331 -2.773 1.178
79 HA GLN 10 HA GLN 10 3.254 -0.870 2.864
80 1HB GLN 10 2HB GLN 10 5.270 -3.091 3.348
81 2HB GLN 10 1HB GLN 10 4.630 -2.141 4.672
82 1HG GLN 10 2HG GLN 10 3.229 -4.109 4.501
83 2HG GLN 10 1HG GLN 10 2.273 -2.771 3.890
84 1HE2 GLN 10 2HE2 GLN 10 1.897 -4.218 0.710
85 2HE2 GLN 10 1HE2 GLN 10 1.437 -2.998 1.797
86 H HIS 11 H HIS 11 6.544 -1.219 1.787
87 HA HIS 11 HA HIS 11 7.572 0.950 3.491
88 1HB HIS 11 2HB HIS 11 8.826 -0.817 1.347
89 2HB HIS 11 1HB HIS 11 9.716 0.462 2.158
90 HD1 HIS 11 HD1 HIS 11 11.141 -1.604 3.088
91 HD2 HIS 11 HD2 HIS 11 7.352 -1.402 4.601
92 HE1 HIS 11 HE1 HIS 11 11.112 -3.041 5.092
93 H LEU 12 H LEU 12 6.956 0.333 0.088
94 HA LEU 12 HA LEU 12 7.511 3.156 -0.639
95 1HB LEU 12 2HB LEU 12 6.705 0.781 -2.386
96 2HB LEU 12 1HB LEU 12 7.215 2.350 -2.962
97 HG LEU 12 HG LEU 12 9.345 1.725 -1.299
98 1HD1 LEU 12 2HD1 LEU 12 8.408 -0.572 -0.880
99 2HD1 LEU 12 1HD1 LEU 12 8.482 -0.896 -2.604
100 3HD1 LEU 12 3HD1 LEU 12 9.959 -0.627 -1.693
101 1HD2 LEU 12 3HD2 LEU 12 9.504 2.537 -3.641
102 2HD2 LEU 12 2HD2 LEU 12 10.582 1.180 -3.366
103 3HD2 LEU 12 1HD2 LEU 12 9.071 0.940 -4.231
104 H ASP 13 H ASP 13 5.584 3.314 1.002
105 HA ASP 13 HA ASP 13 2.926 2.963 -0.115
106 1HB ASP 13 2HB ASP 13 3.761 3.056 2.416
107 2HB ASP 13 1HB ASP 13 3.509 4.780 2.253
108 H ASP 14 H ASP 14 2.845 4.070 -2.000
109 HA ASP 14 HA ASP 14 3.460 6.941 -2.136
110 1HB ASP 14 2HB ASP 14 2.700 6.514 -4.579
111 2HB ASP 14 1HB ASP 14 4.172 5.727 -4.055
112 H CYS 15 H CYS 15 0.876 5.198 -1.089
113 HA CYS 15 HA CYS 15 -1.357 6.424 -2.333
114 1HB CYS 15 2HB CYS 15 -1.344 5.446 0.483
115 2HB CYS 15 1HB CYS 15 -2.622 5.328 -0.702
116 H CYS 16 H CYS 16 -2.908 7.756 -1.452
117 HA CYS 16 HA CYS 16 -1.840 10.212 -0.274
118 1HB CYS 16 2HB CYS 16 -3.848 9.738 -2.050
119 2HB CYS 16 1HB CYS 16 -4.801 9.709 -0.594
120 H SER 17 H SER 17 -3.760 7.453 0.533
121 HA SER 17 HA SER 17 -4.489 8.254 3.223
122 1HB SER 17 2HB SER 17 -5.455 5.966 3.288
123 2HB SER 17 1HB SER 17 -5.852 6.683 1.721
124 HG SER 17 HG SER 17 -4.695 4.488 1.927
125 H ARG 18 H ARG 18 -1.650 7.488 1.895
126 HA ARG 18 HA ARG 18 0.362 6.543 2.516
127 1HB ARG 18 2HB ARG 18 1.149 7.345 4.706
128 2HB ARG 18 1HB ARG 18 0.238 8.594 3.893
129 1HG ARG 18 2HG ARG 18 -1.700 8.228 5.328
130 2HG ARG 18 1HG ARG 18 -0.975 6.799 6.045
131 1HD ARG 18 2HD ARG 18 -0.289 8.263 7.673
132 2HD ARG 18 1HD ARG 18 0.975 8.723 6.542
133 HE ARG 18 HE ARG 18 -1.410 10.288 7.209
134 1HH1 ARG 18 1HH2 ARG 18 -1.551 10.296 4.320
135 2HH1 ARG 18 2HH2 ARG 18 -0.467 11.562 3.849
136 1HH2 ARG 18 2HH1 ARG 18 1.148 11.608 6.960
137 2HH2 ARG 18 1HH1 ARG 18 1.104 12.325 5.383
138 H LYS 19 H LYS 19 -1.884 4.718 2.654
139 HA LYS 19 HA LYS 19 -0.762 2.691 4.497
140 1HB LYS 19 2HB LYS 19 -3.542 3.785 4.285
141 2HB LYS 19 1HB LYS 19 -3.371 2.072 4.557
142 1HG LYS 19 2HG LYS 19 -2.124 2.431 6.609
143 2HG LYS 19 1HG LYS 19 -1.899 4.135 6.247
144 1HD LYS 19 2HD LYS 19 -4.250 4.616 6.570
145 2HD LYS 19 1HD LYS 19 -4.654 2.911 6.659
146 1HE LYS 19 2HE LYS 19 -4.596 3.777 8.935
147 2HE LYS 19 1HE LYS 19 -3.183 2.751 8.734
148 1HZ LYS 19 3HZ LYS 19 -1.972 4.857 8.121
149 2HZ LYS 19 2HZ LYS 19 -3.318 5.699 8.723
150 3HZ LYS 19 1HZ LYS 19 -2.424 4.683 9.749
151 H CYS 20 H CYS 20 -0.250 0.910 3.463
152 HA CYS 20 HA CYS 20 -1.612 0.179 0.934
153 1HB CYS 20 2HB CYS 20 1.279 -0.023 1.830
154 2HB CYS 20 1HB CYS 20 0.662 -0.864 0.445
155 H ASN 21 H ASN 21 -2.864 -1.493 1.431
156 HA ASN 21 HA ASN 21 -2.685 -3.084 3.773
157 1HB ASN 21 2HB ASN 21 -4.504 -4.396 2.759
158 2HB ASN 21 1HB ASN 21 -4.761 -2.687 2.489
159 1HD2 ASN 21 2HD2 ASN 21 -5.469 -3.975 -0.768
160 2HD2 ASN 21 1HD2 ASN 21 -6.191 -3.674 0.737
161 H ARG 22 H ARG 22 -3.040 -5.567 3.367
162 HA ARG 22 HA ARG 22 -0.496 -6.694 3.075
163 1HB ARG 22 2HB ARG 22 -1.752 -8.861 3.371
164 2HB ARG 22 1HB ARG 22 -2.066 -7.658 4.594
165 1HG ARG 22 2HG ARG 22 -4.286 -7.788 4.163
166 2HG ARG 22 1HG ARG 22 -4.019 -7.175 2.547
167 1HD ARG 22 2HD ARG 22 -5.190 -9.342 2.486
168 2HD ARG 22 1HD ARG 22 -3.605 -9.487 1.725
169 HE ARG 22 HE ARG 22 -3.437 -10.148 4.523
170 1HH1 ARG 22 1HH2 ARG 22 -2.030 -11.777 2.628
171 2HH1 ARG 22 2HH2 ARG 22 -2.984 -13.218 2.495
172 1HH2 ARG 22 2HH1 ARG 22 -5.819 -11.704 3.893
173 2HH2 ARG 22 1HH1 ARG 22 -5.187 -13.175 3.231
174 H PHE 23 H PHE 23 -2.908 -6.065 0.732
175 HA PHE 23 HA PHE 23 -1.980 -8.108 -1.169
176 1HB PHE 23 2HB PHE 23 -4.069 -5.891 -1.324
177 2HB PHE 23 1HB PHE 23 -3.746 -7.022 -2.610
178 HD1 PHE 23 HD1 PHE 23 -3.738 -9.622 -1.750
179 HD2 PHE 23 HD2 PHE 23 -5.872 -6.411 0.069
180 HE1 PHE 23 HE1 PHE 23 -5.298 -11.223 -0.747
181 HE2 PHE 23 HE2 PHE 23 -7.428 -8.018 1.069
182 HZ PHE 23 HZ PHE 23 -7.146 -10.427 0.663
183 H ASN 24 H ASN 24 -0.554 -5.549 -0.076
184 HA ASN 24 HA ASN 24 0.900 -3.912 -0.835
185 1HB ASN 24 2HB ASN 24 1.166 -6.048 -3.027
186 2HB ASN 24 1HB ASN 24 2.241 -4.662 -2.904
187 1HD2 ASN 24 2HD2 ASN 24 4.117 -6.019 -0.267
188 2HD2 ASN 24 1HD2 ASN 24 3.922 -4.764 -1.392
189 H LYS 25 H LYS 25 -1.678 -3.432 -1.253
190 HA LYS 25 HA LYS 25 -1.754 -1.752 -3.697
191 1HB LYS 25 2HB LYS 25 -3.726 -3.764 -2.611
192 2HB LYS 25 1HB LYS 25 -4.367 -2.296 -3.297
193 1HG LYS 25 2HG LYS 25 -2.850 -2.814 -5.356
194 2HG LYS 25 1HG LYS 25 -2.625 -4.401 -4.644
195 1HD LYS 25 2HD LYS 25 -4.969 -4.919 -4.806
196 2HD LYS 25 1HD LYS 25 -5.398 -3.250 -5.142
197 1HE LYS 25 2HE LYS 25 -4.111 -3.382 -7.297
198 2HE LYS 25 1HE LYS 25 -3.797 -5.083 -6.972
199 1HZ LYS 25 1HZ LYS 25 -6.233 -5.391 -6.846
200 2HZ LYS 25 3HZ LYS 25 -6.424 -3.791 -7.380
201 3HZ LYS 25 2HZ LYS 25 -5.663 -4.935 -8.379
202 H CYS 26 H CYS 26 -3.048 0.205 -3.330
203 HA CYS 26 HA CYS 26 -2.596 1.256 -0.691
204 1HB CYS 26 2HB CYS 26 -4.004 2.288 -3.126
205 2HB CYS 26 1HB CYS 26 -3.947 3.201 -1.654
206 H VAL 27 H VAL 27 -4.245 2.468 0.395
207 HA VAL 27 HA VAL 27 -6.804 0.945 0.713
208 HB VAL 27 HB VAL 27 -5.129 2.322 2.873
209 1HG1 VAL 27 2HG1 VAL 27 -7.730 0.741 2.946
210 2HG1 VAL 27 1HG1 VAL 27 -6.700 0.848 4.363
211 3HG1 VAL 27 3HG1 VAL 27 -7.389 2.304 3.673
212 1HG2 VAL 27 2HG2 VAL 27 -4.042 0.239 1.956
213 2HG2 VAL 27 1HG2 VAL 27 -4.579 0.000 3.607
214 3HG2 VAL 27 3HG2 VAL 27 -5.521 -0.648 2.273
No H/Q in entry = 214
Start of MODEL 13
1 1H CYS 1 3H CYS 1 -1.355 12.877 -5.349
2 2H CYS 1 2H CYS 1 -0.246 13.418 -4.185
3 3H CYS 1 1H CYS 1 0.209 12.216 -5.296
4 HA CYS 1 HA CYS 1 -0.219 11.207 -3.182
5 1HB CYS 1 2HB CYS 1 -1.985 11.846 -1.881
6 2HB CYS 1 1HB CYS 1 -2.050 13.228 -2.916
7 H ARG 2 H ARG 2 -0.456 9.079 -3.621
8 HA ARG 2 HA ARG 2 -1.578 8.236 -6.188
9 1HB ARG 2 2HB ARG 2 0.548 7.329 -5.141
10 2HB ARG 2 1HB ARG 2 -0.419 6.543 -3.931
11 1HG ARG 2 2HG ARG 2 -0.621 4.765 -5.282
12 2HG ARG 2 1HG ARG 2 -1.635 5.720 -6.340
13 1HD ARG 2 2HD ARG 2 1.337 6.097 -6.683
14 2HD ARG 2 1HD ARG 2 0.674 4.544 -7.166
15 HE ARG 2 HE ARG 2 -0.741 6.943 -8.164
16 1HH1 ARG 2 1HH2 ARG 2 -1.397 4.730 -9.690
17 2HH1 ARG 2 2HH2 ARG 2 -0.219 4.633 -10.956
18 1HH2 ARG 2 2HH1 ARG 2 2.049 6.712 -9.283
19 2HH2 ARG 2 1HH1 ARG 2 1.781 5.784 -10.722
20 H ILE 3 H ILE 3 -3.569 7.424 -6.517
21 HA ILE 3 HA ILE 3 -5.603 7.583 -4.611
22 HB ILE 3 HB ILE 3 -6.939 6.334 -6.335
23 1HG1 ILE 3 2HG1 ILE 3 -4.254 6.070 -7.781
24 2HG1 ILE 3 1HG1 ILE 3 -5.137 4.750 -7.040
25 1HG2 ILE 3 2HG2 ILE 3 -5.902 8.891 -6.483
26 2HG2 ILE 3 1HG2 ILE 3 -5.352 8.223 -8.008
27 3HG2 ILE 3 3HG2 ILE 3 -7.064 8.235 -7.620
28 1HD1 ILE 3 1HD1 ILE 3 -7.078 5.233 -8.548
29 2HD1 ILE 3 3HD1 ILE 3 -6.092 6.433 -9.373
30 3HD1 ILE 3 2HD1 ILE 3 -5.626 4.741 -9.405
31 HA HYP 4 HA HYP 4 -5.805 3.737 -2.277
32 1HB HYP 4 1HB HYP 4 -7.939 3.568 -1.453
33 2HB HYP 4 2HB HYP 4 -8.667 3.620 -3.046
34 1HD HYP 4 1HD1 HYP 4 -6.700 7.127 -2.799
35 2HD HYP 4 2HD1 HYP 4 -7.744 6.644 -4.146
36 HOD HYP 4 HD2 HYP 4 -7.816 6.871 -0.878
37 HG HYP 4 HG HYP 4 -9.208 5.858 -2.406
38 H ASN 5 H ASN 5 -6.149 1.572 -2.531
39 HA ASN 5 HA ASN 5 -6.053 -0.492 -3.511
40 1HB ASN 5 2HB ASN 5 -7.800 -1.002 -4.899
41 2HB ASN 5 1HB ASN 5 -8.316 0.629 -4.567
42 1HD2 ASN 5 2HD2 ASN 5 -8.378 -0.163 -8.263
43 2HD2 ASN 5 1HD2 ASN 5 -8.943 -1.004 -6.902
44 H GLN 6 H GLN 6 -4.639 2.177 -5.103
45 HA GLN 6 HA GLN 6 -3.492 0.856 -7.357
46 1HB GLN 6 2HB GLN 6 -3.568 3.346 -7.069
47 2HB GLN 6 1HB GLN 6 -2.411 3.228 -5.759
48 1HG GLN 6 2HG GLN 6 -1.327 3.866 -7.890
49 2HG GLN 6 1HG GLN 6 -0.702 2.325 -7.331
50 1HE2 GLN 6 2HE2 GLN 6 -2.995 2.516 -10.727
51 2HE2 GLN 6 1HE2 GLN 6 -2.991 3.815 -9.637
52 H LYS 7 H LYS 7 -1.721 -0.374 -7.569
53 HA LYS 7 HA LYS 7 -0.691 -1.805 -5.378
54 1HB LYS 7 2HB LYS 7 0.799 -2.831 -6.936
55 2HB LYS 7 1HB LYS 7 -0.678 -2.494 -7.795
56 1HG LYS 7 2HG LYS 7 0.701 -1.626 -9.382
57 2HG LYS 7 1HG LYS 7 0.689 -0.194 -8.379
58 1HD LYS 7 2HD LYS 7 2.723 -1.303 -7.129
59 2HD LYS 7 1HD LYS 7 2.753 -2.434 -8.460
60 1HE LYS 7 2HE LYS 7 4.309 -0.668 -9.031
61 2HE LYS 7 1HE LYS 7 2.891 -0.397 -10.035
62 1HZ LYS 7 1HZ LYS 7 3.418 0.942 -7.444
63 2HZ LYS 7 3HZ LYS 7 3.697 1.624 -8.974
64 3HZ LYS 7 2HZ LYS 7 2.115 1.244 -8.487
65 H CYS 8 H CYS 8 0.536 -1.255 -3.860
66 HA CYS 8 HA CYS 8 2.909 0.488 -4.182
67 1HB CYS 8 2HB CYS 8 2.253 1.718 -2.105
68 2HB CYS 8 1HB CYS 8 1.169 1.986 -3.431
69 H PHE 9 H PHE 9 3.493 0.478 -1.377
70 HA PHE 9 HA PHE 9 3.555 -2.371 -0.607
71 1HB PHE 9 2HB PHE 9 5.823 -1.002 -1.847
72 2HB PHE 9 1HB PHE 9 6.248 -1.419 -0.199
73 HD1 PHE 9 HD1 PHE 9 5.100 -2.791 -3.441
74 HD2 PHE 9 HD2 PHE 9 6.484 -3.742 0.478
75 HE1 PHE 9 HE1 PHE 9 5.405 -5.127 -4.115
76 HE2 PHE 9 HE2 PHE 9 6.790 -6.079 -0.202
77 HZ PHE 9 HZ PHE 9 6.251 -6.777 -2.499
78 H GLN 10 H GLN 10 4.105 -2.768 1.486
79 HA GLN 10 HA GLN 10 3.082 -1.030 3.405
80 1HB GLN 10 2HB GLN 10 4.551 -2.607 5.020
81 2HB GLN 10 1HB GLN 10 3.149 -3.247 4.211
82 1HG GLN 10 2HG GLN 10 5.833 -3.404 2.795
83 2HG GLN 10 1HG GLN 10 5.512 -4.514 4.111
84 1HE2 GLN 10 2HE2 GLN 10 2.547 -5.098 1.436
85 2HE2 GLN 10 1HE2 GLN 10 2.613 -3.699 2.393
86 H HIS 11 H HIS 11 6.235 -1.376 2.123
87 HA HIS 11 HA HIS 11 7.571 0.344 4.098
88 1HB HIS 11 2HB HIS 11 8.433 -1.117 1.569
89 2HB HIS 11 1HB HIS 11 9.485 0.081 2.304
90 HD1 HIS 11 HD1 HIS 11 11.177 -1.372 3.396
91 HD2 HIS 11 HD2 HIS 11 7.426 -2.703 4.299
92 HE1 HIS 11 HE1 HIS 11 11.460 -3.169 5.061
93 H LEU 12 H LEU 12 7.019 0.400 0.632
94 HA LEU 12 HA LEU 12 7.252 3.365 0.572
95 1HB LEU 12 2HB LEU 12 7.330 1.219 -1.587
96 2HB LEU 12 1HB LEU 12 7.296 2.928 -1.975
97 HG LEU 12 HG LEU 12 9.406 1.753 -0.106
98 1HD1 LEU 12 3HD1 LEU 12 9.596 2.169 -3.124
99 2HD1 LEU 12 2HD1 LEU 12 10.926 1.711 -2.073
100 3HD1 LEU 12 1HD1 LEU 12 9.579 0.614 -2.307
101 1HD2 LEU 12 3HD2 LEU 12 9.207 4.345 -1.715
102 2HD2 LEU 12 2HD2 LEU 12 9.188 4.197 0.036
103 3HD2 LEU 12 1HD2 LEU 12 10.651 3.835 -0.855
104 H ASP 13 H ASP 13 5.193 3.176 1.780
105 HA ASP 13 HA ASP 13 2.775 2.725 0.149
106 1HB ASP 13 2HB ASP 13 1.643 3.527 2.372
107 2HB ASP 13 1HB ASP 13 2.501 2.006 2.434
108 H ASP 14 H ASP 14 3.091 4.229 -1.398
109 HA ASP 14 HA ASP 14 3.385 7.083 -0.799
110 1HB ASP 14 2HB ASP 14 3.423 7.180 -3.354
111 2HB ASP 14 1HB ASP 14 4.695 6.222 -2.627
112 H CYS 15 H CYS 15 0.837 5.242 -0.482
113 HA CYS 15 HA CYS 15 -1.195 6.315 -2.151
114 1HB CYS 15 2HB CYS 15 -1.626 5.338 0.646
115 2HB CYS 15 1HB CYS 15 -2.688 5.208 -0.732
116 H CYS 16 H CYS 16 -2.939 7.627 -1.554
117 HA CYS 16 HA CYS 16 -2.217 10.206 -0.580
118 1HB CYS 16 2HB CYS 16 -4.244 9.243 -2.100
119 2HB CYS 16 1HB CYS 16 -5.087 9.279 -0.579
120 H SER 17 H SER 17 -3.709 7.389 0.778
121 HA SER 17 HA SER 17 -4.144 8.531 3.444
122 1HB SER 17 2HB SER 17 -5.163 6.283 3.849
123 2HB SER 17 1HB SER 17 -5.827 6.961 2.356
124 HG SER 17 HG SER 17 -4.118 5.852 1.255
125 H ARG 18 H ARG 18 -1.734 7.057 1.684
126 HA ARG 18 HA ARG 18 0.346 6.146 2.097
127 1HB ARG 18 2HB ARG 18 -0.159 7.649 4.721
128 2HB ARG 18 1HB ARG 18 1.322 6.772 4.453
129 1HG ARG 18 2HG ARG 18 1.963 8.870 3.703
130 2HG ARG 18 1HG ARG 18 1.489 8.111 2.201
131 1HD ARG 18 2HD ARG 18 0.414 10.238 2.133
132 2HD ARG 18 1HD ARG 18 -0.872 9.164 2.645
133 HE ARG 18 HE ARG 18 0.453 11.202 4.293
134 1HH1 ARG 18 1HH2 ARG 18 0.509 9.953 6.508
135 2HH1 ARG 18 2HH2 ARG 18 -1.083 9.525 7.036
136 1HH2 ARG 18 2HH1 ARG 18 -2.488 10.001 3.869
137 2HH2 ARG 18 1HH1 ARG 18 -2.819 9.553 5.507
138 H LYS 19 H LYS 19 -2.108 4.683 2.681
139 HA LYS 19 HA LYS 19 -1.099 2.645 4.599
140 1HB LYS 19 2HB LYS 19 -3.859 3.671 3.918
141 2HB LYS 19 1HB LYS 19 -3.625 2.095 4.634
142 1HG LYS 19 2HG LYS 19 -2.853 2.979 6.674
143 2HG LYS 19 1HG LYS 19 -2.252 4.451 5.935
144 1HD LYS 19 2HD LYS 19 -4.418 5.418 5.766
145 2HD LYS 19 1HD LYS 19 -5.232 3.882 5.995
146 1HE LYS 19 2HE LYS 19 -3.473 5.064 8.173
147 2HE LYS 19 1HE LYS 19 -5.167 5.498 8.020
148 1HZ LYS 19 3HZ LYS 19 -5.692 3.104 8.100
149 2HZ LYS 19 2HZ LYS 19 -4.057 2.788 8.433
150 3HZ LYS 19 1HZ LYS 19 -4.985 3.701 9.524
151 H CYS 20 H CYS 20 -0.486 0.853 3.631
152 HA CYS 20 HA CYS 20 -1.740 0.024 1.078
153 1HB CYS 20 2HB CYS 20 1.129 -0.045 2.048
154 2HB CYS 20 1HB CYS 20 0.581 -0.964 0.682
155 H ASN 21 H ASN 21 -2.900 -1.713 1.467
156 HA ASN 21 HA ASN 21 -2.787 -3.273 3.853
157 1HB ASN 21 2HB ASN 21 -4.512 -4.655 2.745
158 2HB ASN 21 1HB ASN 21 -4.821 -2.954 2.475
159 1HD2 ASN 21 2HD2 ASN 21 -5.299 -4.195 -0.841
160 2HD2 ASN 21 1HD2 ASN 21 -6.121 -3.900 0.614
161 H ARG 22 H ARG 22 -3.009 -5.813 3.368
162 HA ARG 22 HA ARG 22 -0.366 -6.746 3.131
163 1HB ARG 22 2HB ARG 22 -1.375 -8.949 3.565
164 2HB ARG 22 1HB ARG 22 -2.036 -7.737 4.636
165 1HG ARG 22 2HG ARG 22 -4.038 -7.519 3.125
166 2HG ARG 22 1HG ARG 22 -3.367 -8.774 2.098
167 1HD ARG 22 2HD ARG 22 -4.985 -9.814 3.599
168 2HD ARG 22 1HD ARG 22 -3.376 -10.342 4.083
169 HE ARG 22 HE ARG 22 -4.180 -7.959 5.521
170 1HH1 ARG 22 1HH2 ARG 22 -2.701 -10.327 6.631
171 2HH1 ARG 22 2HH2 ARG 22 -3.877 -11.020 7.696
172 1HH2 ARG 22 2HH1 ARG 22 -6.533 -9.252 6.261
173 2HH2 ARG 22 1HH1 ARG 22 -6.093 -10.399 7.482
174 H PHE 23 H PHE 23 -2.814 -6.268 0.798
175 HA PHE 23 HA PHE 23 -1.775 -8.225 -1.129
176 1HB PHE 23 2HB PHE 23 -3.984 -6.130 -1.333
177 2HB PHE 23 1HB PHE 23 -3.664 -7.402 -2.491
178 HD1 PHE 23 HD2 PHE 23 -3.833 -9.842 -1.708
179 HD2 PHE 23 HD1 PHE 23 -5.300 -6.580 0.613
180 HE1 PHE 23 HE2 PHE 23 -5.216 -11.388 -0.401
181 HE2 PHE 23 HE1 PHE 23 -6.680 -8.131 1.914
182 HZ PHE 23 HZ PHE 23 -6.642 -10.538 1.412
183 H ASN 24 H ASN 24 -0.414 -5.681 -0.059
184 HA ASN 24 HA ASN 24 0.943 -3.962 -0.820
185 1HB ASN 24 2HB ASN 24 1.202 -6.082 -3.018
186 2HB ASN 24 1HB ASN 24 2.216 -4.645 -2.989
187 1HD2 ASN 24 2HD2 ASN 24 3.980 -5.612 -0.031
188 2HD2 ASN 24 1HD2 ASN 24 3.425 -4.255 -0.885
189 H LYS 25 H LYS 25 -1.708 -3.615 -1.228
190 HA LYS 25 HA LYS 25 -1.862 -1.888 -3.647
191 1HB LYS 25 2HB LYS 25 -3.782 -3.889 -2.457
192 2HB LYS 25 1HB LYS 25 -4.452 -2.436 -3.161
193 1HG LYS 25 2HG LYS 25 -3.321 -2.937 -5.317
194 2HG LYS 25 1HG LYS 25 -2.525 -4.316 -4.593
195 1HD LYS 25 2HD LYS 25 -4.357 -5.300 -5.715
196 2HD LYS 25 1HD LYS 25 -4.897 -5.222 -4.053
197 1HE LYS 25 2HE LYS 25 -6.720 -4.431 -5.443
198 2HE LYS 25 1HE LYS 25 -6.074 -3.017 -4.631
199 1HZ LYS 25 1HZ LYS 25 -4.581 -3.002 -6.801
200 2HZ LYS 25 3HZ LYS 25 -5.952 -3.780 -7.435
201 3HZ LYS 25 2HZ LYS 25 -6.097 -2.243 -6.725
202 H CYS 26 H CYS 26 -3.103 0.065 -3.262
203 HA CYS 26 HA CYS 26 -2.636 1.103 -0.603
204 1HB CYS 26 2HB CYS 26 -3.894 2.199 -3.099
205 2HB CYS 26 1HB CYS 26 -3.901 3.100 -1.616
206 H VAL 27 H VAL 27 -4.288 2.384 0.416
207 HA VAL 27 HA VAL 27 -6.946 1.011 0.579
208 HB VAL 27 HB VAL 27 -5.321 2.113 2.912
209 1HG1 VAL 27 3HG1 VAL 27 -7.910 0.519 2.714
210 2HG1 VAL 27 2HG1 VAL 27 -6.972 0.564 4.200
211 3HG1 VAL 27 1HG1 VAL 27 -7.642 2.045 3.548
212 1HG2 VAL 27 1HG2 VAL 27 -5.618 -0.776 1.946
213 2HG2 VAL 27 3HG2 VAL 27 -4.134 0.155 1.969
214 3HG2 VAL 27 2HG2 VAL 27 -4.888 -0.315 3.474
No H/Q in entry = 214
Start of MODEL 14
1 1H CYS 1 2H CYS 1 -1.283 12.930 -4.983
2 2H CYS 1 1H CYS 1 -0.103 13.337 -3.829
3 3H CYS 1 3H CYS 1 0.194 12.090 -4.941
4 HA CYS 1 HA CYS 1 -0.327 11.153 -2.805
5 1HB CYS 1 2HB CYS 1 -2.032 11.990 -1.520
6 2HB CYS 1 1HB CYS 1 -1.979 13.349 -2.585
7 H ARG 2 H ARG 2 -0.484 9.121 -3.518
8 HA ARG 2 HA ARG 2 -1.752 8.430 -6.015
9 1HB ARG 2 2HB ARG 2 -0.002 7.147 -4.048
10 2HB ARG 2 1HB ARG 2 -1.221 6.016 -4.576
11 1HG ARG 2 2HG ARG 2 0.364 7.694 -6.561
12 2HG ARG 2 1HG ARG 2 0.992 6.187 -5.944
13 1HD ARG 2 2HD ARG 2 -0.109 5.305 -7.761
14 2HD ARG 2 1HD ARG 2 -1.493 5.320 -6.677
15 HE ARG 2 HE ARG 2 -2.389 7.145 -7.896
16 1HH1 ARG 2 2HH1 ARG 2 -0.327 9.065 -8.138
17 2HH1 ARG 2 1HH1 ARG 2 0.220 8.953 -9.778
18 1HH2 ARG 2 1HH2 ARG 2 -1.213 5.797 -10.261
19 2HH2 ARG 2 2HH2 ARG 2 -0.294 7.061 -11.006
20 H ILE 3 H ILE 3 -3.434 6.955 -6.407
21 HA ILE 3 HA ILE 3 -5.717 7.373 -4.712
22 HB ILE 3 HB ILE 3 -6.788 5.805 -6.444
23 1HG1 ILE 3 2HG1 ILE 3 -4.512 6.202 -8.322
24 2HG1 ILE 3 1HG1 ILE 3 -4.110 5.128 -7.010
25 1HG2 ILE 3 1HG2 ILE 3 -5.334 8.308 -7.399
26 2HG2 ILE 3 3HG2 ILE 3 -6.710 7.572 -8.204
27 3HG2 ILE 3 2HG2 ILE 3 -6.898 8.270 -6.606
28 1HD1 ILE 3 1HD1 ILE 3 -6.695 4.742 -8.513
29 2HD1 ILE 3 3HD1 ILE 3 -5.180 4.113 -9.138
30 3HD1 ILE 3 2HD1 ILE 3 -5.770 3.575 -7.575
31 HA HYP 4 HA HYP 4 -5.828 3.562 -2.268
32 1HB HYP 4 1HB HYP 4 -7.968 3.362 -1.479
33 2HB HYP 4 2HB HYP 4 -8.670 3.338 -3.086
34 1HD HYP 4 1HD1 HYP 4 -6.859 6.939 -2.914
35 2HD HYP 4 2HD1 HYP 4 -7.838 6.338 -4.264
36 HOD HYP 4 HD2 HYP 4 -7.978 5.017 -0.475
37 HG HYP 4 HG HYP 4 -9.305 5.576 -2.519
38 H ASN 5 H ASN 5 -6.126 1.364 -2.538
39 HA ASN 5 HA ASN 5 -5.950 -0.681 -3.541
40 1HB ASN 5 2HB ASN 5 -7.656 -1.220 -4.960
41 2HB ASN 5 1HB ASN 5 -8.225 0.382 -4.577
42 1HD2 ASN 5 2HD2 ASN 5 -8.390 -0.153 -8.265
43 2HD2 ASN 5 1HD2 ASN 5 -9.014 -0.963 -6.911
44 H GLN 6 H GLN 6 -4.486 1.974 -5.061
45 HA GLN 6 HA GLN 6 -3.362 0.667 -7.344
46 1HB GLN 6 2HB GLN 6 -3.466 3.189 -6.769
47 2HB GLN 6 1HB GLN 6 -2.022 2.927 -5.817
48 1HG GLN 6 2HG GLN 6 -0.916 3.316 -7.820
49 2HG GLN 6 1HG GLN 6 -1.306 1.647 -8.170
50 1HE2 GLN 6 2HE2 GLN 6 -3.150 4.609 -10.235
51 2HE2 GLN 6 1HE2 GLN 6 -2.055 4.965 -8.990
52 H LYS 7 H LYS 7 -1.800 -0.740 -7.500
53 HA LYS 7 HA LYS 7 -0.641 -2.144 -5.394
54 1HB LYS 7 2HB LYS 7 -0.742 -2.623 -7.960
55 2HB LYS 7 1HB LYS 7 0.801 -1.811 -8.044
56 1HG LYS 7 2HG LYS 7 0.295 -4.074 -6.062
57 2HG LYS 7 1HG LYS 7 0.758 -4.398 -7.719
58 1HD LYS 7 2HD LYS 7 2.779 -2.856 -7.355
59 2HD LYS 7 1HD LYS 7 2.370 -2.849 -5.647
60 1HE LYS 7 2HE LYS 7 2.910 -5.372 -7.261
61 2HE LYS 7 1HE LYS 7 4.070 -4.590 -6.194
62 1HZ LYS 7 2HZ LYS 7 1.840 -4.840 -4.666
63 2HZ LYS 7 1HZ LYS 7 1.877 -6.288 -5.551
64 3HZ LYS 7 3HZ LYS 7 3.215 -5.834 -4.608
65 H CYS 8 H CYS 8 0.424 -1.206 -3.805
66 HA CYS 8 HA CYS 8 2.886 0.367 -4.412
67 1HB CYS 8 2HB CYS 8 2.353 1.761 -2.409
68 2HB CYS 8 1HB CYS 8 1.266 1.980 -3.749
69 H PHE 9 H PHE 9 4.435 0.379 -2.740
70 HA PHE 9 HA PHE 9 4.615 -2.233 -1.381
71 1HB PHE 9 2HB PHE 9 6.485 -0.669 -2.720
72 2HB PHE 9 1HB PHE 9 6.848 -0.281 -1.050
73 HD1 PHE 9 HD1 PHE 9 6.749 -2.968 -3.556
74 HD2 PHE 9 HD2 PHE 9 7.649 -2.012 0.496
75 HE1 PHE 9 HE1 PHE 9 7.928 -5.104 -3.312
76 HE2 PHE 9 HE2 PHE 9 8.829 -4.150 0.739
77 HZ PHE 9 HZ PHE 9 8.970 -5.700 -1.167
78 H GLN 10 H GLN 10 4.654 -2.516 0.759
79 HA GLN 10 HA GLN 10 3.268 -0.847 2.481
80 1HB GLN 10 2HB GLN 10 5.322 -3.018 3.024
81 2HB GLN 10 1HB GLN 10 4.396 -2.272 4.315
82 1HG GLN 10 2HG GLN 10 2.325 -3.123 3.512
83 2HG GLN 10 1HG GLN 10 2.955 -3.432 1.900
84 1HE2 GLN 10 2HE2 GLN 10 4.009 -6.685 2.683
85 2HE2 GLN 10 1HE2 GLN 10 3.775 -5.497 1.492
86 H HIS 11 H HIS 11 6.630 -0.890 1.705
87 HA HIS 11 HA HIS 11 7.439 0.981 3.819
88 1HB HIS 11 2HB HIS 11 8.923 -0.167 1.401
89 2HB HIS 11 1HB HIS 11 9.671 0.863 2.615
90 HD1 HIS 11 HD1 HIS 11 10.572 -0.396 4.563
91 HD2 HIS 11 HD2 HIS 11 7.758 -2.652 2.650
92 HE1 HIS 11 HE1 HIS 11 10.561 -2.592 5.685
93 H LEU 12 H LEU 12 7.135 0.954 0.322
94 HA LEU 12 HA LEU 12 7.377 3.901 0.154
95 1HB LEU 12 2HB LEU 12 7.102 1.731 -1.979
96 2HB LEU 12 1HB LEU 12 7.251 3.435 -2.347
97 HG LEU 12 HG LEU 12 9.339 2.024 -0.637
98 1HD1 LEU 12 2HD1 LEU 12 9.310 2.323 -3.671
99 2HD1 LEU 12 1HD1 LEU 12 10.678 1.761 -2.725
100 3HD1 LEU 12 3HD1 LEU 12 9.207 0.808 -2.787
101 1HD2 LEU 12 2HD2 LEU 12 9.312 4.577 -2.315
102 2HD2 LEU 12 1HD2 LEU 12 9.417 4.476 -0.565
103 3HD2 LEU 12 3HD2 LEU 12 10.753 3.922 -1.556
104 H ASP 13 H ASP 13 5.290 3.483 1.594
105 HA ASP 13 HA ASP 13 2.814 3.163 0.064
106 1HB ASP 13 2HB ASP 13 1.770 3.916 2.311
107 2HB ASP 13 1HB ASP 13 2.695 2.436 2.367
108 H ASP 14 H ASP 14 3.102 4.674 -1.496
109 HA ASP 14 HA ASP 14 3.361 7.538 -0.888
110 1HB ASP 14 2HB ASP 14 3.174 7.586 -3.511
111 2HB ASP 14 1HB ASP 14 4.619 6.908 -2.790
112 H CYS 15 H CYS 15 0.879 5.442 -0.804
113 HA CYS 15 HA CYS 15 -1.231 6.536 -2.285
114 1HB CYS 15 2HB CYS 15 -1.505 5.413 0.488
115 2HB CYS 15 1HB CYS 15 -2.645 5.300 -0.826
116 H CYS 16 H CYS 16 -3.061 7.760 -1.534
117 HA CYS 16 HA CYS 16 -2.309 10.295 -0.421
118 1HB CYS 16 2HB CYS 16 -4.381 9.462 -1.960
119 2HB CYS 16 1HB CYS 16 -5.186 9.393 -0.421
120 H SER 17 H SER 17 -3.773 7.392 0.799
121 HA SER 17 HA SER 17 -4.190 8.407 3.512
122 1HB SER 17 2HB SER 17 -5.087 6.099 3.863
123 2HB SER 17 1HB SER 17 -5.793 6.775 2.390
124 HG SER 17 HG SER 17 -4.694 4.602 2.336
125 H ARG 18 H ARG 18 -1.724 7.141 1.664
126 HA ARG 18 HA ARG 18 0.406 6.314 2.047
127 1HB ARG 18 2HB ARG 18 -0.062 7.553 4.808
128 2HB ARG 18 1HB ARG 18 1.499 7.104 4.158
129 1HG ARG 18 2HG ARG 18 1.272 8.722 2.322
130 2HG ARG 18 1HG ARG 18 -0.349 9.141 2.846
131 1HD ARG 18 2HD ARG 18 2.127 9.492 4.589
132 2HD ARG 18 1HD ARG 18 1.395 10.781 3.639
133 HE ARG 18 HE ARG 18 -0.741 10.243 4.995
134 1HH1 ARG 18 1HH2 ARG 18 0.493 8.107 6.641
135 2HH1 ARG 18 2HH2 ARG 18 0.972 8.955 8.072
136 1HH2 ARG 18 2HH1 ARG 18 0.714 12.095 6.537
137 2HH2 ARG 18 1HH1 ARG 18 1.101 11.274 8.013
138 H LYS 19 H LYS 19 -1.895 4.658 2.547
139 HA LYS 19 HA LYS 19 -0.716 2.651 4.397
140 1HB LYS 19 2HB LYS 19 -3.527 3.699 4.103
141 2HB LYS 19 1HB LYS 19 -3.277 2.035 4.563
142 1HG LYS 19 2HG LYS 19 -1.782 2.878 6.459
143 2HG LYS 19 1HG LYS 19 -2.235 4.508 6.008
144 1HD LYS 19 2HD LYS 19 -4.712 3.115 6.219
145 2HD LYS 19 1HD LYS 19 -3.748 2.488 7.538
146 1HE LYS 19 2HE LYS 19 -4.920 4.415 8.388
147 2HE LYS 19 1HE LYS 19 -3.251 4.925 8.182
148 1HZ LYS 19 3HZ LYS 19 -3.887 5.840 6.004
149 2HZ LYS 19 2HZ LYS 19 -5.503 5.430 6.323
150 3HZ LYS 19 1HZ LYS 19 -4.709 6.570 7.299
151 H CYS 20 H CYS 20 -0.202 0.846 3.360
152 HA CYS 20 HA CYS 20 -1.649 0.111 0.883
153 1HB CYS 20 2HB CYS 20 1.259 -0.182 1.714
154 2HB CYS 20 1HB CYS 20 0.583 -0.952 0.315
155 H ASN 21 H ASN 21 -2.923 -1.513 1.406
156 HA ASN 21 HA ASN 21 -2.826 -3.090 3.749
157 1HB ASN 21 2HB ASN 21 -4.642 -4.384 2.693
158 2HB ASN 21 1HB ASN 21 -4.858 -2.670 2.421
159 1HD2 ASN 21 2HD2 ASN 21 -5.503 -3.917 -0.865
160 2HD2 ASN 21 1HD2 ASN 21 -6.257 -3.591 0.620
161 H ARG 22 H ARG 22 -3.263 -5.587 3.339
162 HA ARG 22 HA ARG 22 -0.748 -6.794 3.183
163 1HB ARG 22 2HB ARG 22 -1.999 -8.879 3.552
164 2HB ARG 22 1HB ARG 22 -2.607 -7.600 4.576
165 1HG ARG 22 2HG ARG 22 -4.411 -7.197 2.754
166 2HG ARG 22 1HG ARG 22 -3.879 -8.711 2.044
167 1HD ARG 22 2HD ARG 22 -4.212 -9.638 4.536
168 2HD ARG 22 1HD ARG 22 -5.260 -8.232 4.687
169 HE ARG 22 HE ARG 22 -6.658 -9.136 2.904
170 1HH1 ARG 22 1HH2 ARG 22 -4.466 -10.764 1.610
171 2HH1 ARG 22 2HH2 ARG 22 -4.942 -12.380 2.013
172 1HH2 ARG 22 2HH1 ARG 22 -7.160 -11.313 4.509
173 2HH2 ARG 22 1HH1 ARG 22 -6.511 -12.699 3.697
174 H PHE 23 H PHE 23 -3.036 -6.105 0.732
175 HA PHE 23 HA PHE 23 -2.051 -8.128 -1.155
176 1HB PHE 23 2HB PHE 23 -4.083 -5.873 -1.418
177 2HB PHE 23 1HB PHE 23 -3.756 -7.072 -2.639
178 HD1 PHE 23 HD1 PHE 23 -4.104 -9.567 -1.993
179 HD2 PHE 23 HD2 PHE 23 -5.660 -6.325 0.296
180 HE1 PHE 23 HE1 PHE 23 -5.725 -11.080 -0.945
181 HE2 PHE 23 HE2 PHE 23 -7.277 -7.841 1.338
182 HZ PHE 23 HZ PHE 23 -7.314 -10.221 0.720
183 H ASN 24 H ASN 24 -0.603 -5.628 0.012
184 HA ASN 24 HA ASN 24 0.913 -4.009 -0.684
185 1HB ASN 24 2HB ASN 24 1.168 -6.008 -3.001
186 2HB ASN 24 1HB ASN 24 2.336 -4.744 -2.639
187 1HD2 ASN 24 2HD2 ASN 24 3.838 -6.498 0.014
188 2HD2 ASN 24 1HD2 ASN 24 3.783 -5.067 -0.898
189 H LYS 25 H LYS 25 -1.697 -3.513 -1.212
190 HA LYS 25 HA LYS 25 -1.648 -1.789 -3.633
191 1HB LYS 25 2HB LYS 25 -3.680 -3.778 -2.626
192 2HB LYS 25 1HB LYS 25 -4.283 -2.308 -3.342
193 1HG LYS 25 2HG LYS 25 -2.832 -2.791 -5.376
194 2HG LYS 25 1HG LYS 25 -2.380 -4.315 -4.634
195 1HD LYS 25 2HD LYS 25 -4.619 -5.165 -4.748
196 2HD LYS 25 1HD LYS 25 -5.298 -3.580 -5.077
197 1HE LYS 25 2HE LYS 25 -4.063 -3.544 -7.273
198 2HE LYS 25 1HE LYS 25 -3.506 -5.182 -6.946
199 1HZ LYS 25 2HZ LYS 25 -6.365 -4.441 -6.961
200 2HZ LYS 25 1HZ LYS 25 -5.540 -4.959 -8.352
201 3HZ LYS 25 3HZ LYS 25 -5.683 -5.995 -7.015
202 H CYS 26 H CYS 26 -2.911 0.193 -3.323
203 HA CYS 26 HA CYS 26 -2.527 1.269 -0.698
204 1HB CYS 26 2HB CYS 26 -3.901 2.277 -3.174
205 2HB CYS 26 1HB CYS 26 -3.850 3.207 -1.712
206 H VAL 27 H VAL 27 -4.178 2.517 0.335
207 HA VAL 27 HA VAL 27 -6.785 1.072 0.616
208 HB VAL 27 HB VAL 27 -5.074 2.301 2.840
209 1HG1 VAL 27 2HG1 VAL 27 -7.753 0.854 2.854
210 2HG1 VAL 27 1HG1 VAL 27 -6.751 0.943 4.290
211 3HG1 VAL 27 3HG1 VAL 27 -7.366 2.415 3.562
212 1HG2 VAL 27 3HG2 VAL 27 -5.600 -0.614 2.094
213 2HG2 VAL 27 2HG2 VAL 27 -4.058 0.208 1.958
214 3HG2 VAL 27 1HG2 VAL 27 -4.748 -0.096 3.539
No H/Q in entry = 214
Start of MODEL 15
1 1H CYS 1 2H CYS 1 -1.209 12.743 -5.077
2 2H CYS 1 1H CYS 1 -0.096 13.239 -3.893
3 3H CYS 1 3H CYS 1 0.280 11.941 -4.923
4 HA CYS 1 HA CYS 1 -0.329 11.088 -2.777
5 1HB CYS 1 2HB CYS 1 -2.093 11.977 -1.599
6 2HB CYS 1 1HB CYS 1 -2.011 13.280 -2.730
7 H ARG 2 H ARG 2 -0.461 9.005 -3.413
8 HA ARG 2 HA ARG 2 -1.652 8.258 -5.931
9 1HB ARG 2 2HB ARG 2 0.182 7.097 -4.063
10 2HB ARG 2 1HB ARG 2 -1.108 5.931 -4.245
11 1HG ARG 2 2HG ARG 2 0.307 7.231 -6.606
12 2HG ARG 2 1HG ARG 2 0.812 5.715 -5.898
13 1HD ARG 2 2HD ARG 2 -0.598 4.838 -7.475
14 2HD ARG 2 1HD ARG 2 -1.821 5.127 -6.247
15 HE ARG 2 HE ARG 2 -2.458 7.171 -7.430
16 1HH1 ARG 2 2HH1 ARG 2 0.168 7.645 -8.783
17 2HH1 ARG 2 1HH1 ARG 2 -0.195 7.241 -10.429
18 1HH2 ARG 2 1HH2 ARG 2 -3.128 5.531 -9.560
19 2HH2 ARG 2 2HH2 ARG 2 -2.115 6.012 -10.881
20 H ILE 3 H ILE 3 -3.395 7.029 -6.407
21 HA ILE 3 HA ILE 3 -5.726 7.368 -4.843
22 HB ILE 3 HB ILE 3 -6.820 6.183 -6.667
23 1HG1 ILE 3 2HG1 ILE 3 -4.033 5.139 -7.329
24 2HG1 ILE 3 1HG1 ILE 3 -5.397 4.175 -6.793
25 1HG2 ILE 3 2HG2 ILE 3 -5.566 8.464 -7.099
26 2HG2 ILE 3 1HG2 ILE 3 -4.448 7.493 -8.039
27 3HG2 ILE 3 3HG2 ILE 3 -6.142 7.557 -8.487
28 1HD1 ILE 3 1HD1 ILE 3 -6.605 5.082 -8.929
29 2HD1 ILE 3 3HD1 ILE 3 -4.984 5.475 -9.477
30 3HD1 ILE 3 2HD1 ILE 3 -5.403 3.812 -9.106
31 HA HYP 4 HA HYP 4 -5.890 3.639 -2.300
32 1HB HYP 4 1HB HYP 4 -8.002 3.557 -1.459
33 2HB HYP 4 2HB HYP 4 -8.706 3.223 -3.031
34 1HD HYP 4 1HD1 HYP 4 -7.103 6.959 -3.268
35 2HD HYP 4 2HD1 HYP 4 -7.945 6.159 -4.608
36 HOD HYP 4 HD2 HYP 4 -8.452 6.839 -1.414
37 HG HYP 4 HG HYP 4 -9.481 5.473 -2.906
38 H ASN 5 H ASN 5 -6.136 1.421 -2.465
39 HA ASN 5 HA ASN 5 -5.852 -0.657 -3.382
40 1HB ASN 5 2HB ASN 5 -7.655 -1.348 -4.601
41 2HB ASN 5 1HB ASN 5 -8.252 0.255 -4.286
42 1HD2 ASN 5 2HD2 ASN 5 -8.608 -0.634 -7.918
43 2HD2 ASN 5 1HD2 ASN 5 -9.026 -1.432 -6.481
44 H GLN 6 H GLN 6 -4.423 1.912 -4.871
45 HA GLN 6 HA GLN 6 -3.481 0.609 -7.286
46 1HB GLN 6 2HB GLN 6 -3.463 3.224 -6.306
47 2HB GLN 6 1HB GLN 6 -1.777 2.791 -6.191
48 1HG GLN 6 2HG GLN 6 -3.202 2.084 -8.773
49 2HG GLN 6 1HG GLN 6 -2.853 3.771 -8.475
50 1HE2 GLN 6 2HE2 GLN 6 0.341 3.324 -9.769
51 2HE2 GLN 6 1HE2 GLN 6 -1.115 4.189 -9.775
52 H LYS 7 H LYS 7 -1.864 -0.728 -7.518
53 HA LYS 7 HA LYS 7 -0.655 -2.182 -5.539
54 1HB LYS 7 2HB LYS 7 -0.591 -2.214 -8.264
55 2HB LYS 7 1HB LYS 7 1.062 -1.752 -7.949
56 1HG LYS 7 2HG LYS 7 -0.305 -4.124 -6.592
57 2HG LYS 7 1HG LYS 7 0.592 -4.278 -8.080
58 1HD LYS 7 2HD LYS 7 1.891 -3.050 -5.606
59 2HD LYS 7 1HD LYS 7 1.838 -4.778 -5.839
60 1HE LYS 7 2HE LYS 7 2.874 -3.037 -8.092
61 2HE LYS 7 1HE LYS 7 3.916 -3.411 -6.728
62 1HZ LYS 7 2HZ LYS 7 2.473 -5.455 -8.305
63 2HZ LYS 7 1HZ LYS 7 4.076 -4.979 -8.600
64 3HZ LYS 7 3HZ LYS 7 3.668 -5.716 -7.125
65 H CYS 8 H CYS 8 0.225 -1.257 -3.835
66 HA CYS 8 HA CYS 8 2.856 0.096 -4.109
67 1HB CYS 8 2HB CYS 8 2.236 1.727 -2.413
68 2HB CYS 8 1HB CYS 8 1.165 1.851 -3.778
69 H PHE 9 H PHE 9 4.289 -0.575 -2.570
70 HA PHE 9 HA PHE 9 3.417 -2.821 -0.862
71 1HB PHE 9 2HB PHE 9 6.031 -1.787 -1.911
72 2HB PHE 9 1HB PHE 9 6.090 -2.671 -0.397
73 HD1 PHE 9 HD2 PHE 9 4.450 -2.937 -3.775
74 HD2 PHE 9 HD1 PHE 9 6.319 -5.000 -0.543
75 HE1 PHE 9 HE2 PHE 9 4.263 -5.049 -5.009
76 HE2 PHE 9 HE1 PHE 9 6.128 -7.106 -1.784
77 HZ PHE 9 HZ PHE 9 5.101 -7.136 -4.017
78 H GLN 10 H GLN 10 3.956 -2.992 1.293
79 HA GLN 10 HA GLN 10 3.156 -0.898 2.940
80 1HB GLN 10 2HB GLN 10 4.753 -3.424 3.544
81 2HB GLN 10 1HB GLN 10 4.161 -2.363 4.805
82 1HG GLN 10 2HG GLN 10 2.465 -4.032 4.616
83 2HG GLN 10 1HG GLN 10 1.803 -2.656 3.752
84 1HE2 GLN 10 2HE2 GLN 10 1.747 -4.331 0.644
85 2HE2 GLN 10 1HE2 GLN 10 1.461 -2.876 1.475
86 H HIS 11 H HIS 11 6.297 -1.840 1.834
87 HA HIS 11 HA HIS 11 7.870 -0.232 3.629
88 1HB HIS 11 2HB HIS 11 8.458 -2.236 1.842
89 2HB HIS 11 1HB HIS 11 8.969 -0.849 0.897
90 HD1 HIS 11 HD1 HIS 11 10.559 0.827 2.467
91 HD2 HIS 11 HD2 HIS 11 10.404 -3.104 3.557
92 HE1 HIS 11 HE1 HIS 11 12.532 0.424 3.894
93 H LEU 12 H LEU 12 6.366 0.327 0.547
94 HA LEU 12 HA LEU 12 7.134 3.217 0.672
95 1HB LEU 12 2HB LEU 12 7.091 3.161 -1.856
96 2HB LEU 12 1HB LEU 12 8.402 2.268 -1.134
97 HG LEU 12 HG LEU 12 6.065 0.498 -1.468
98 1HD1 LEU 12 3HD1 LEU 12 7.084 1.862 -3.993
99 2HD1 LEU 12 2HD1 LEU 12 6.042 0.449 -3.951
100 3HD1 LEU 12 1HD1 LEU 12 5.457 1.985 -3.346
101 1HD2 LEU 12 2HD2 LEU 12 8.917 0.530 -2.540
102 2HD2 LEU 12 1HD2 LEU 12 8.288 -0.420 -1.202
103 3HD2 LEU 12 3HD2 LEU 12 7.799 -0.787 -2.847
104 H ASP 13 H ASP 13 5.101 3.197 1.913
105 HA ASP 13 HA ASP 13 2.620 2.945 0.329
106 1HB ASP 13 2HB ASP 13 1.552 3.616 2.587
107 2HB ASP 13 1HB ASP 13 2.433 2.107 2.586
108 H ASP 14 H ASP 14 3.218 4.533 -1.155
109 HA ASP 14 HA ASP 14 3.376 7.345 -0.333
110 1HB ASP 14 2HB ASP 14 3.678 7.622 -2.861
111 2HB ASP 14 1HB ASP 14 4.904 6.665 -2.059
112 H CYS 15 H CYS 15 0.859 5.473 -0.356
113 HA CYS 15 HA CYS 15 -1.024 6.544 -2.185
114 1HB CYS 15 2HB CYS 15 -1.615 5.467 0.565
115 2HB CYS 15 1HB CYS 15 -2.648 5.432 -0.834
116 H CYS 16 H CYS 16 -3.034 7.666 -1.433
117 HA CYS 16 HA CYS 16 -2.346 10.304 -0.475
118 1HB CYS 16 2HB CYS 16 -4.352 9.353 -2.038
119 2HB CYS 16 1HB CYS 16 -5.202 9.336 -0.520
120 H SER 17 H SER 17 -3.714 7.415 0.807
121 HA SER 17 HA SER 17 -4.251 8.503 3.477
122 1HB SER 17 2HB SER 17 -5.134 6.174 3.841
123 2HB SER 17 1HB SER 17 -5.836 6.870 2.375
124 HG SER 17 HG SER 17 -4.705 4.678 2.343
125 H ARG 18 H ARG 18 -1.718 7.216 1.736
126 HA ARG 18 HA ARG 18 0.399 6.413 2.212
127 1HB ARG 18 2HB ARG 18 -0.267 7.826 4.863
128 2HB ARG 18 1HB ARG 18 1.281 7.077 4.576
129 1HG ARG 18 2HG ARG 18 1.692 9.294 3.951
130 2HG ARG 18 1HG ARG 18 1.427 8.500 2.415
131 1HD ARG 18 2HD ARG 18 0.202 10.659 2.544
132 2HD ARG 18 1HD ARG 18 -0.919 9.319 2.387
133 HE ARG 18 HE ARG 18 -1.293 9.484 4.864
134 1HH1 ARG 18 2HH1 ARG 18 1.068 11.412 5.161
135 2HH1 ARG 18 1HH1 ARG 18 0.240 12.912 5.413
136 1HH2 ARG 18 1HH2 ARG 18 -2.825 11.635 4.274
137 2HH2 ARG 18 2HH2 ARG 18 -2.027 13.041 4.897
138 H LYS 19 H LYS 19 -1.869 4.746 2.519
139 HA LYS 19 HA LYS 19 -0.810 2.713 4.408
140 1HB LYS 19 2HB LYS 19 -3.556 3.886 4.123
141 2HB LYS 19 1HB LYS 19 -3.446 2.177 4.432
142 1HG LYS 19 2HG LYS 19 -1.665 3.824 6.178
143 2HG LYS 19 1HG LYS 19 -3.360 4.210 6.351
144 1HD LYS 19 2HD LYS 19 -2.917 2.482 7.950
145 2HD LYS 19 1HD LYS 19 -3.811 1.711 6.657
146 1HE LYS 19 2HE LYS 19 -1.763 0.759 5.719
147 2HE LYS 19 1HE LYS 19 -0.764 1.690 6.830
148 1HZ LYS 19 1HZ LYS 19 -2.757 -0.337 7.654
149 2HZ LYS 19 3HZ LYS 19 -1.087 -0.617 7.515
150 3HZ LYS 19 2HZ LYS 19 -1.671 0.491 8.663
151 H CYS 20 H CYS 20 -0.342 0.886 3.422
152 HA CYS 20 HA CYS 20 -1.719 0.134 0.912
153 1HB CYS 20 2HB CYS 20 1.178 -0.086 1.769
154 2HB CYS 20 1HB CYS 20 0.523 -0.899 0.384
155 H ASN 21 H ASN 21 -2.921 -1.562 1.346
156 HA ASN 21 HA ASN 21 -2.742 -3.139 3.733
157 1HB ASN 21 2HB ASN 21 -4.477 -4.604 2.445
158 2HB ASN 21 1HB ASN 21 -4.909 -2.938 2.760
159 1HD2 ASN 21 2HD2 ASN 21 -3.592 -3.647 -1.062
160 2HD2 ASN 21 1HD2 ASN 21 -2.702 -4.217 0.261
161 H ARG 22 H ARG 22 -2.908 -5.592 3.510
162 HA ARG 22 HA ARG 22 -0.386 -6.642 3.012
163 1HB ARG 22 2HB ARG 22 -1.558 -8.858 3.359
164 2HB ARG 22 1HB ARG 22 -1.838 -7.674 4.615
165 1HG ARG 22 2HG ARG 22 -4.065 -7.253 3.926
166 2HG ARG 22 1HG ARG 22 -3.784 -7.827 2.295
167 1HD ARG 22 2HD ARG 22 -5.134 -9.463 3.568
168 2HD ARG 22 1HD ARG 22 -3.572 -10.165 3.158
169 HE ARG 22 HE ARG 22 -3.196 -9.001 5.665
170 1HH1 ARG 22 2HH1 ARG 22 -5.676 -9.453 6.734
171 2HH1 ARG 22 1HH1 ARG 22 -5.782 -11.145 7.092
172 1HH2 ARG 22 1HH2 ARG 22 -3.102 -11.954 4.980
173 2HH2 ARG 22 2HH2 ARG 22 -4.282 -12.602 6.071
174 H PHE 23 H PHE 23 -2.870 -6.036 0.750
175 HA PHE 23 HA PHE 23 -2.046 -8.110 -1.154
176 1HB PHE 23 2HB PHE 23 -4.000 -5.818 -1.598
177 2HB PHE 23 1HB PHE 23 -3.924 -7.359 -2.419
178 HD1 PHE 23 HD1 PHE 23 -4.102 -9.485 -0.755
179 HD2 PHE 23 HD2 PHE 23 -5.640 -5.595 0.062
180 HE1 PHE 23 HE1 PHE 23 -5.667 -10.441 0.873
181 HE2 PHE 23 HE2 PHE 23 -7.200 -6.555 1.690
182 HZ PHE 23 HZ PHE 23 -7.218 -8.979 2.099
183 H ASN 24 H ASN 24 -0.512 -5.622 -0.138
184 HA ASN 24 HA ASN 24 0.957 -4.025 -0.937
185 1HB ASN 24 2HB ASN 24 1.095 -6.110 -3.182
186 2HB ASN 24 1HB ASN 24 2.251 -4.803 -2.973
187 1HD2 ASN 24 2HD2 ASN 24 3.601 -6.188 0.090
188 2HD2 ASN 24 1HD2 ASN 24 3.190 -4.697 -0.607
189 H LYS 25 H LYS 25 -1.657 -3.474 -1.338
190 HA LYS 25 HA LYS 25 -1.621 -1.772 -3.773
191 1HB LYS 25 2HB LYS 25 -3.651 -3.779 -2.792
192 2HB LYS 25 1HB LYS 25 -4.247 -2.306 -3.504
193 1HG LYS 25 2HG LYS 25 -3.115 -2.807 -5.617
194 2HG LYS 25 1HG LYS 25 -2.119 -4.025 -4.856
195 1HD LYS 25 2HD LYS 25 -3.675 -5.384 -5.906
196 2HD LYS 25 1HD LYS 25 -4.407 -5.243 -4.324
197 1HE LYS 25 2HE LYS 25 -5.120 -3.381 -6.634
198 2HE LYS 25 1HE LYS 25 -5.982 -4.874 -6.305
199 1HZ LYS 25 3HZ LYS 25 -6.226 -3.958 -3.962
200 2HZ LYS 25 2HZ LYS 25 -5.809 -2.459 -4.639
201 3HZ LYS 25 1HZ LYS 25 -7.185 -3.284 -5.191
202 H CYS 26 H CYS 26 -2.977 0.215 -3.394
203 HA CYS 26 HA CYS 26 -2.494 1.222 -0.743
204 1HB CYS 26 2HB CYS 26 -3.940 2.282 -3.156
205 2HB CYS 26 1HB CYS 26 -3.942 3.152 -1.658
206 H VAL 27 H VAL 27 -4.287 2.449 0.343
207 HA VAL 27 HA VAL 27 -6.758 0.791 0.577
208 HB VAL 27 HB VAL 27 -5.166 2.016 2.877
209 1HG1 VAL 27 1HG1 VAL 27 -7.537 0.091 2.777
210 2HG1 VAL 27 3HG1 VAL 27 -6.616 0.412 4.235
211 3HG1 VAL 27 2HG1 VAL 27 -7.528 1.704 3.475
212 1HG2 VAL 27 3HG2 VAL 27 -5.277 -0.879 1.911
213 2HG2 VAL 27 2HG2 VAL 27 -3.870 0.160 1.837
214 3HG2 VAL 27 1HG2 VAL 27 -4.490 -0.356 3.390
No H/Q in entry = 214
Start of MODEL 16
1 1H CYS 1 3H CYS 1 -0.003 12.278 -4.800
2 2H CYS 1 2H CYS 1 -1.446 13.169 -4.719
3 3H CYS 1 1H CYS 1 -0.200 13.470 -3.604
4 HA CYS 1 HA CYS 1 -0.466 11.240 -2.686
5 1HB CYS 1 2HB CYS 1 -2.085 12.083 -1.286
6 2HB CYS 1 1HB CYS 1 -2.037 13.483 -2.296
7 H ARG 2 H ARG 2 -0.774 9.243 -3.470
8 HA ARG 2 HA ARG 2 -2.226 8.775 -5.947
9 1HB ARG 2 2HB ARG 2 -0.402 7.258 -4.170
10 2HB ARG 2 1HB ARG 2 -1.569 6.257 -4.982
11 1HG ARG 2 2HG ARG 2 -0.356 8.238 -6.822
12 2HG ARG 2 1HG ARG 2 0.850 7.241 -6.038
13 1HD ARG 2 2HD ARG 2 -0.317 5.194 -6.746
14 2HD ARG 2 1HD ARG 2 -1.602 6.148 -7.483
15 HE ARG 2 HE ARG 2 -0.125 6.714 -9.263
16 1HH1 ARG 2 1HH2 ARG 2 2.331 7.453 -8.034
17 2HH1 ARG 2 2HH2 ARG 2 3.397 6.118 -8.318
18 1HH2 ARG 2 2HH1 ARG 2 0.766 3.924 -9.063
19 2HH2 ARG 2 1HH1 ARG 2 2.486 4.064 -8.915
20 H ILE 3 H ILE 3 -3.697 6.995 -6.253
21 HA ILE 3 HA ILE 3 -5.996 7.269 -4.526
22 HB ILE 3 HB ILE 3 -6.917 5.513 -6.218
23 1HG1 ILE 3 2HG1 ILE 3 -4.655 6.289 -8.046
24 2HG1 ILE 3 1HG1 ILE 3 -4.297 5.062 -6.858
25 1HG2 ILE 3 1HG2 ILE 3 -5.903 8.226 -7.170
26 2HG2 ILE 3 3HG2 ILE 3 -7.124 7.273 -8.000
27 3HG2 ILE 3 2HG2 ILE 3 -7.447 7.903 -6.395
28 1HD1 ILE 3 1HD1 ILE 3 -6.799 4.805 -8.522
29 2HD1 ILE 3 3HD1 ILE 3 -5.243 4.323 -9.174
30 3HD1 ILE 3 2HD1 ILE 3 -5.863 3.547 -7.726
31 HA HYP 4 HA HYP 4 -5.784 3.326 -2.230
32 1HB HYP 4 1HB HYP 4 -7.896 2.930 -1.468
33 2HB HYP 4 2HB HYP 4 -8.567 2.853 -3.087
34 1HD HYP 4 1HD1 HYP 4 -7.142 6.631 -2.698
35 2HD HYP 4 2HD1 HYP 4 -7.995 6.037 -4.134
36 HOD HYP 4 HD2 HYP 4 -8.290 6.216 -0.925
37 HG HYP 4 HG HYP 4 -9.460 5.000 -2.551
38 H ASN 5 H ASN 5 -6.227 1.063 -2.671
39 HA ASN 5 HA ASN 5 -5.846 -0.869 -3.816
40 1HB ASN 5 2HB ASN 5 -7.330 -1.329 -5.569
41 2HB ASN 5 1HB ASN 5 -8.121 -0.001 -4.752
42 1HD2 ASN 5 2HD2 ASN 5 -8.150 2.017 -7.620
43 2HD2 ASN 5 1HD2 ASN 5 -8.712 1.744 -6.041
44 H GLN 6 H GLN 6 -4.297 1.875 -5.052
45 HA GLN 6 HA GLN 6 -3.110 0.729 -7.401
46 1HB GLN 6 2HB GLN 6 -3.202 3.236 -6.586
47 2HB GLN 6 1HB GLN 6 -1.738 2.847 -5.712
48 1HG GLN 6 2HG GLN 6 -0.684 3.384 -7.696
49 2HG GLN 6 1HG GLN 6 -1.126 1.764 -8.181
50 1HE2 GLN 6 2HE2 GLN 6 -3.916 2.877 -10.189
51 2HE2 GLN 6 1HE2 GLN 6 -3.471 1.622 -9.135
52 H LYS 7 H LYS 7 -1.589 -0.737 -7.559
53 HA LYS 7 HA LYS 7 -0.537 -2.257 -5.497
54 1HB LYS 7 2HB LYS 7 -0.528 -2.703 -8.022
55 2HB LYS 7 1HB LYS 7 0.919 -1.730 -8.116
56 1HG LYS 7 2HG LYS 7 1.693 -3.996 -7.929
57 2HG LYS 7 1HG LYS 7 1.960 -3.288 -6.353
58 1HD LYS 7 2HD LYS 7 0.975 -5.390 -5.861
59 2HD LYS 7 1HD LYS 7 -0.361 -4.282 -5.689
60 1HE LYS 7 2HE LYS 7 -0.677 -4.893 -8.326
61 2HE LYS 7 1HE LYS 7 0.095 -6.368 -7.765
62 1HZ LYS 7 1HZ LYS 7 -1.606 -6.260 -5.891
63 2HZ LYS 7 3HZ LYS 7 -2.438 -5.162 -6.883
64 3HZ LYS 7 2HZ LYS 7 -2.136 -6.741 -7.432
65 H CYS 8 H CYS 8 0.336 -1.351 -3.812
66 HA CYS 8 HA CYS 8 2.975 -0.007 -4.042
67 1HB CYS 8 2HB CYS 8 2.334 1.676 -2.449
68 2HB CYS 8 1HB CYS 8 1.203 1.718 -3.769
69 H PHE 9 H PHE 9 4.353 -0.549 -2.408
70 HA PHE 9 HA PHE 9 3.548 -2.867 -0.769
71 1HB PHE 9 2HB PHE 9 6.287 -1.557 -1.028
72 2HB PHE 9 1HB PHE 9 5.940 -3.158 -0.387
73 HD1 PHE 9 HD1 PHE 9 5.092 -4.956 -1.918
74 HD2 PHE 9 HD2 PHE 9 6.293 -1.157 -3.430
75 HE1 PHE 9 HE1 PHE 9 5.180 -5.883 -4.187
76 HE2 PHE 9 HE2 PHE 9 6.382 -2.088 -5.694
77 HZ PHE 9 HZ PHE 9 5.825 -4.452 -6.079
78 H GLN 10 H GLN 10 4.119 -3.044 1.406
79 HA GLN 10 HA GLN 10 3.033 -1.135 3.101
80 1HB GLN 10 2HB GLN 10 5.144 -3.082 4.085
81 2HB GLN 10 1HB GLN 10 3.695 -2.556 4.906
82 1HG GLN 10 2HG GLN 10 3.810 -4.473 2.521
83 2HG GLN 10 1HG GLN 10 3.399 -4.862 4.176
84 1HE2 GLN 10 2HE2 GLN 10 0.594 -3.107 1.778
85 2HE2 GLN 10 1HE2 GLN 10 2.211 -3.182 1.275
86 H HIS 11 H HIS 11 6.105 -1.220 1.711
87 HA HIS 11 HA HIS 11 7.321 0.687 3.621
88 1HB HIS 11 2HB HIS 11 8.460 -1.490 2.665
89 2HB HIS 11 1HB HIS 11 8.732 -0.520 1.228
90 HD1 HIS 11 HD1 HIS 11 10.199 1.684 1.697
91 HD2 HIS 11 HD2 HIS 11 10.079 -0.965 4.794
92 HE1 HIS 11 HE1 HIS 11 12.041 2.319 3.216
93 H LEU 12 H LEU 12 6.458 0.301 0.249
94 HA LEU 12 HA LEU 12 7.172 3.113 -0.384
95 1HB LEU 12 2HB LEU 12 6.380 0.746 -2.121
96 2HB LEU 12 1HB LEU 12 6.732 2.338 -2.763
97 HG LEU 12 HG LEU 12 8.762 0.938 -0.981
98 1HD1 LEU 12 3HD1 LEU 12 8.286 0.511 -3.952
99 2HD1 LEU 12 2HD1 LEU 12 9.839 0.195 -3.197
100 3HD1 LEU 12 1HD1 LEU 12 8.423 -0.704 -2.691
101 1HD2 LEU 12 3HD2 LEU 12 8.972 3.034 -3.193
102 2HD2 LEU 12 2HD2 LEU 12 9.137 3.334 -1.470
103 3HD2 LEU 12 1HD2 LEU 12 10.336 2.369 -2.309
104 H ASP 13 H ASP 13 5.329 3.519 1.155
105 HA ASP 13 HA ASP 13 2.620 3.302 0.054
106 1HB ASP 13 2HB ASP 13 3.782 4.555 2.568
107 2HB ASP 13 1HB ASP 13 2.078 4.676 2.157
108 H ASP 14 H ASP 14 2.643 4.425 -1.820
109 HA ASP 14 HA ASP 14 3.340 7.278 -1.921
110 1HB ASP 14 2HB ASP 14 2.628 6.913 -4.365
111 2HB ASP 14 1HB ASP 14 4.030 6.006 -3.840
112 H CYS 15 H CYS 15 0.666 5.303 -1.395
113 HA CYS 15 HA CYS 15 -1.565 6.534 -2.427
114 1HB CYS 15 2HB CYS 15 -1.471 5.482 0.348
115 2HB CYS 15 1HB CYS 15 -2.747 5.253 -0.825
116 H CYS 16 H CYS 16 -3.233 7.763 -1.441
117 HA CYS 16 HA CYS 16 -2.299 10.285 -0.382
118 1HB CYS 16 2HB CYS 16 -4.522 9.590 -1.774
119 2HB CYS 16 1HB CYS 16 -5.200 9.471 -0.178
120 H SER 17 H SER 17 -3.791 7.411 0.865
121 HA SER 17 HA SER 17 -4.055 8.373 3.601
122 1HB SER 17 2HB SER 17 -4.918 6.071 3.972
123 2HB SER 17 1HB SER 17 -5.656 6.713 2.500
124 HG SER 17 HG SER 17 -4.093 5.662 1.301
125 H ARG 18 H ARG 18 -1.614 7.212 1.656
126 HA ARG 18 HA ARG 18 0.530 6.388 1.972
127 1HB ARG 18 2HB ARG 18 0.155 7.610 4.765
128 2HB ARG 18 1HB ARG 18 1.688 7.194 4.038
129 1HG ARG 18 2HG ARG 18 1.794 9.269 3.154
130 2HG ARG 18 1HG ARG 18 0.469 8.847 2.097
131 1HD ARG 18 2HD ARG 18 -1.138 9.567 3.924
132 2HD ARG 18 1HD ARG 18 0.252 10.112 4.859
133 HE ARG 18 HE ARG 18 0.619 11.379 2.449
134 1HH1 ARG 18 1HH2 ARG 18 -0.954 11.964 5.276
135 2HH1 ARG 18 2HH2 ARG 18 -2.101 13.103 4.650
136 1HH2 ARG 18 2HH1 ARG 18 -1.269 12.416 1.318
137 2HH2 ARG 18 1HH1 ARG 18 -2.282 13.364 2.356
138 H LYS 19 H LYS 19 -1.739 4.743 2.510
139 HA LYS 19 HA LYS 19 -0.551 2.722 4.334
140 1HB LYS 19 2HB LYS 19 -3.296 3.914 4.226
141 2HB LYS 19 1HB LYS 19 -3.186 2.207 4.559
142 1HG LYS 19 2HG LYS 19 -1.688 2.653 6.481
143 2HG LYS 19 1HG LYS 19 -1.652 4.364 6.083
144 1HD LYS 19 2HD LYS 19 -4.186 4.400 6.401
145 2HD LYS 19 1HD LYS 19 -4.074 2.754 7.001
146 1HE LYS 19 2HE LYS 19 -2.583 5.133 8.202
147 2HE LYS 19 1HE LYS 19 -4.061 4.440 8.856
148 1HZ LYS 19 2HZ LYS 19 -2.752 2.265 8.859
149 2HZ LYS 19 1HZ LYS 19 -1.376 3.248 8.714
150 3HZ LYS 19 3HZ LYS 19 -2.404 3.420 10.054
151 H CYS 20 H CYS 20 -0.177 0.879 3.370
152 HA CYS 20 HA CYS 20 -1.625 0.153 0.891
153 1HB CYS 20 2HB CYS 20 1.230 -0.330 1.803
154 2HB CYS 20 1HB CYS 20 0.521 -1.039 0.385
155 H ASN 21 H ASN 21 -2.917 -1.513 1.259
156 HA ASN 21 HA ASN 21 -2.926 -3.016 3.713
157 1HB ASN 21 2HB ASN 21 -4.713 -4.411 2.416
158 2HB ASN 21 1HB ASN 21 -5.051 -2.713 2.678
159 1HD2 ASN 21 2HD2 ASN 21 -3.654 -3.521 -1.083
160 2HD2 ASN 21 1HD2 ASN 21 -2.800 -4.075 0.268
161 H ARG 22 H ARG 22 -3.245 -5.457 3.533
162 HA ARG 22 HA ARG 22 -0.793 -6.689 3.207
163 1HB ARG 22 2HB ARG 22 -2.010 -8.760 3.678
164 2HB ARG 22 1HB ARG 22 -2.652 -7.460 4.654
165 1HG ARG 22 2HG ARG 22 -4.449 -7.144 2.803
166 2HG ARG 22 1HG ARG 22 -3.879 -8.660 2.132
167 1HD ARG 22 2HD ARG 22 -5.720 -9.236 3.567
168 2HD ARG 22 1HD ARG 22 -4.276 -9.681 4.471
169 HE ARG 22 HE ARG 22 -5.311 -6.957 4.952
170 1HH1 ARG 22 2HH1 ARG 22 -3.631 -8.032 6.980
171 2HH1 ARG 22 1HH1 ARG 22 -4.712 -8.737 8.136
172 1HH2 ARG 22 1HH2 ARG 22 -7.391 -8.810 5.877
173 2HH2 ARG 22 2HH2 ARG 22 -6.900 -9.190 7.494
174 H PHE 23 H PHE 23 -3.119 -6.057 0.758
175 HA PHE 23 HA PHE 23 -2.156 -8.167 -1.046
176 1HB PHE 23 2HB PHE 23 -4.234 -5.955 -1.320
177 2HB PHE 23 1HB PHE 23 -3.901 -7.161 -2.546
178 HD1 PHE 23 HD2 PHE 23 -4.092 -9.653 -1.865
179 HD2 PHE 23 HD1 PHE 23 -5.749 -6.478 0.449
180 HE1 PHE 23 HE2 PHE 23 -5.575 -11.242 -0.743
181 HE2 PHE 23 HE1 PHE 23 -7.232 -8.076 1.568
182 HZ PHE 23 HZ PHE 23 -7.151 -10.464 0.975
183 H ASN 24 H ASN 24 -0.645 -5.721 -0.019
184 HA ASN 24 HA ASN 24 0.881 -4.152 -0.745
185 1HB ASN 24 2HB ASN 24 1.094 -6.181 -3.039
186 2HB ASN 24 1HB ASN 24 2.287 -4.937 -2.678
187 1HD2 ASN 24 2HD2 ASN 24 1.903 -8.110 -0.088
188 2HD2 ASN 24 1HD2 ASN 24 0.599 -7.692 -1.089
189 H LYS 25 H LYS 25 -1.713 -3.588 -1.315
190 HA LYS 25 HA LYS 25 -1.519 -1.895 -3.760
191 1HB LYS 25 2HB LYS 25 -3.667 -3.777 -2.789
192 2HB LYS 25 1HB LYS 25 -4.189 -2.279 -3.513
193 1HG LYS 25 2HG LYS 25 -2.731 -2.862 -5.526
194 2HG LYS 25 1HG LYS 25 -2.346 -4.381 -4.744
195 1HD LYS 25 2HD LYS 25 -5.227 -3.551 -5.256
196 2HD LYS 25 1HD LYS 25 -4.285 -4.373 -6.482
197 1HE LYS 25 2HE LYS 25 -3.803 -6.194 -4.728
198 2HE LYS 25 1HE LYS 25 -5.016 -5.414 -3.719
199 1HZ LYS 25 1HZ LYS 25 -5.461 -6.450 -6.454
200 2HZ LYS 25 3HZ LYS 25 -5.946 -7.203 -5.011
201 3HZ LYS 25 2HZ LYS 25 -6.629 -5.715 -5.463
202 H CYS 26 H CYS 26 -2.958 0.090 -3.490
203 HA CYS 26 HA CYS 26 -2.400 1.217 -0.888
204 1HB CYS 26 2HB CYS 26 -3.766 2.208 -3.368
205 2HB CYS 26 1HB CYS 26 -3.790 3.147 -1.912
206 H VAL 27 H VAL 27 -4.056 2.563 0.130
207 HA VAL 27 HA VAL 27 -6.668 1.168 0.469
208 HB VAL 27 HB VAL 27 -4.886 2.245 2.706
209 1HG1 VAL 27 2HG1 VAL 27 -7.502 0.680 2.671
210 2HG1 VAL 27 1HG1 VAL 27 -6.484 0.739 4.098
211 3HG1 VAL 27 3HG1 VAL 27 -7.187 2.217 3.466
212 1HG2 VAL 27 2HG2 VAL 27 -5.332 -0.635 1.789
213 2HG2 VAL 27 1HG2 VAL 27 -3.823 0.243 1.684
214 3HG2 VAL 27 3HG2 VAL 27 -4.471 -0.186 3.250
No H/Q in entry = 214
Start of MODEL 17
1 1H CYS 1 2H CYS 1 -1.017 12.372 -5.427
2 2H CYS 1 1H CYS 1 0.157 12.883 -4.311
3 3H CYS 1 3H CYS 1 0.439 11.513 -5.273
4 HA CYS 1 HA CYS 1 -0.127 10.817 -3.064
5 1HB CYS 1 2HB CYS 1 -1.797 11.842 -1.872
6 2HB CYS 1 1HB CYS 1 -1.676 13.092 -3.055
7 H ARG 2 H ARG 2 -0.210 8.771 -3.711
8 HA ARG 2 HA ARG 2 -1.477 7.781 -6.045
9 1HB ARG 2 2HB ARG 2 0.228 6.728 -4.041
10 2HB ARG 2 1HB ARG 2 -1.196 5.711 -3.974
11 1HG ARG 2 2HG ARG 2 -0.992 5.447 -6.500
12 2HG ARG 2 1HG ARG 2 0.588 6.203 -6.360
13 1HD ARG 2 2HD ARG 2 0.987 4.377 -4.460
14 2HD ARG 2 1HD ARG 2 -0.344 3.542 -5.243
15 HE ARG 2 HE ARG 2 1.001 3.553 -7.340
16 1HH1 ARG 2 2HH1 ARG 2 3.113 5.250 -7.327
17 2HH1 ARG 2 1HH1 ARG 2 4.443 4.431 -6.576
18 1HH2 ARG 2 1HH2 ARG 2 2.381 2.043 -5.068
19 2HH2 ARG 2 2HH2 ARG 2 4.019 2.570 -5.265
20 H ILE 3 H ILE 3 -3.400 6.846 -6.471
21 HA ILE 3 HA ILE 3 -5.624 7.435 -4.765
22 HB ILE 3 HB ILE 3 -6.841 6.002 -6.549
23 1HG1 ILE 3 2HG1 ILE 3 -4.506 6.202 -8.385
24 2HG1 ILE 3 1HG1 ILE 3 -4.242 5.081 -7.075
25 1HG2 ILE 3 1HG2 ILE 3 -5.145 8.381 -7.418
26 2HG2 ILE 3 3HG2 ILE 3 -6.537 7.773 -8.299
27 3HG2 ILE 3 2HG2 ILE 3 -6.743 8.457 -6.697
28 1HD1 ILE 3 2HD1 ILE 3 -6.707 5.013 -8.837
29 2HD1 ILE 3 1HD1 ILE 3 -5.271 4.034 -9.103
30 3HD1 ILE 3 3HD1 ILE 3 -6.222 3.814 -7.643
31 HA HYP 4 HA HYP 4 -5.922 3.729 -2.298
32 1HB HYP 4 1HB HYP 4 -8.017 3.728 -1.395
33 2HB HYP 4 2HB HYP 4 -8.773 3.374 -2.936
34 1HD HYP 4 1HD1 HYP 4 -7.050 7.057 -3.238
35 2HD HYP 4 2HD1 HYP 4 -7.956 6.316 -4.569
36 HOD HYP 4 HD2 HYP 4 -8.452 7.010 -1.404
37 HG HYP 4 HG HYP 4 -9.487 5.637 -2.871
38 H ASN 5 H ASN 5 -6.096 1.525 -2.475
39 HA ASN 5 HA ASN 5 -5.964 -0.568 -3.405
40 1HB ASN 5 2HB ASN 5 -7.758 -1.182 -4.694
41 2HB ASN 5 1HB ASN 5 -8.314 0.432 -4.359
42 1HD2 ASN 5 2HD2 ASN 5 -8.671 -0.283 -8.000
43 2HD2 ASN 5 1HD2 ASN 5 -9.215 -1.033 -6.577
44 H GLN 6 H GLN 6 -4.562 2.054 -4.977
45 HA GLN 6 HA GLN 6 -3.530 0.673 -7.301
46 1HB GLN 6 2HB GLN 6 -3.766 3.133 -7.083
47 2HB GLN 6 1HB GLN 6 -2.466 3.168 -5.910
48 1HG GLN 6 2HG GLN 6 -0.835 2.903 -7.540
49 2HG GLN 6 1HG GLN 6 -1.776 1.734 -8.443
50 1HE2 GLN 6 2HE2 GLN 6 -3.120 4.107 -10.669
51 2HE2 GLN 6 1HE2 GLN 6 -3.116 2.489 -10.153
52 H LYS 7 H LYS 7 -1.852 -0.603 -7.478
53 HA LYS 7 HA LYS 7 -0.601 -1.948 -5.443
54 1HB LYS 7 2HB LYS 7 -0.498 -2.075 -8.165
55 2HB LYS 7 1HB LYS 7 1.121 -1.508 -7.857
56 1HG LYS 7 2HG LYS 7 -0.127 -3.926 -6.466
57 2HG LYS 7 1HG LYS 7 0.839 -4.051 -7.915
58 1HD LYS 7 2HD LYS 7 1.945 -2.718 -5.402
59 2HD LYS 7 1HD LYS 7 2.035 -4.446 -5.649
60 1HE LYS 7 2HE LYS 7 3.364 -4.167 -7.662
61 2HE LYS 7 1HE LYS 7 3.131 -2.423 -7.646
62 1HZ LYS 7 3HZ LYS 7 4.464 -3.944 -5.487
63 2HZ LYS 7 2HZ LYS 7 5.275 -3.140 -6.744
64 3HZ LYS 7 1HZ LYS 7 4.349 -2.256 -5.629
65 H CYS 8 H CYS 8 0.437 -1.175 -3.793
66 HA CYS 8 HA CYS 8 2.864 0.491 -4.170
67 1HB CYS 8 2HB CYS 8 2.212 1.883 -2.241
68 2HB CYS 8 1HB CYS 8 1.108 2.055 -3.572
69 H PHE 9 H PHE 9 4.313 0.395 -2.413
70 HA PHE 9 HA PHE 9 4.350 -2.263 -1.126
71 1HB PHE 9 2HB PHE 9 6.529 -0.153 -0.921
72 2HB PHE 9 1HB PHE 9 6.688 -1.890 -0.766
73 HD1 PHE 9 HD2 PHE 9 6.228 0.889 -3.147
74 HD2 PHE 9 HD1 PHE 9 6.756 -3.324 -2.756
75 HE1 PHE 9 HE2 PHE 9 6.696 0.725 -5.545
76 HE2 PHE 9 HE1 PHE 9 7.222 -3.482 -5.159
77 HZ PHE 9 HZ PHE 9 7.192 -1.461 -6.558
78 H GLN 10 H GLN 10 4.406 -2.617 1.023
79 HA GLN 10 HA GLN 10 2.982 -0.966 2.760
80 1HB GLN 10 2HB GLN 10 4.916 -3.265 3.244
81 2HB GLN 10 1HB GLN 10 4.123 -2.463 4.581
82 1HG GLN 10 2HG GLN 10 2.670 -4.281 4.107
83 2HG GLN 10 1HG GLN 10 1.885 -2.933 3.301
84 1HE2 GLN 10 2HE2 GLN 10 2.474 -4.199 0.038
85 2HE2 GLN 10 1HE2 GLN 10 2.006 -2.843 0.947
86 H HIS 11 H HIS 11 6.331 -1.226 2.052
87 HA HIS 11 HA HIS 11 7.285 0.514 4.180
88 1HB HIS 11 2HB HIS 11 8.600 -1.410 3.075
89 2HB HIS 11 1HB HIS 11 8.797 -0.363 1.676
90 HD1 HIS 11 HD1 HIS 11 10.604 1.392 1.929
91 HD2 HIS 11 HD2 HIS 11 9.737 -0.332 5.526
92 HE1 HIS 11 HE1 HIS 11 12.287 2.240 3.525
93 H LEU 12 H LEU 12 7.098 0.735 0.671
94 HA LEU 12 HA LEU 12 7.419 3.698 0.793
95 1HB LEU 12 2HB LEU 12 7.425 1.773 -1.567
96 2HB LEU 12 1HB LEU 12 7.678 3.497 -1.686
97 HG LEU 12 HG LEU 12 9.505 2.603 0.336
98 1HD1 LEU 12 3HD1 LEU 12 9.123 0.284 -0.545
99 2HD1 LEU 12 2HD1 LEU 12 9.627 0.826 -2.138
100 3HD1 LEU 12 1HD1 LEU 12 10.773 0.827 -0.804
101 1HD2 LEU 12 3HD2 LEU 12 9.984 3.304 -2.593
102 2HD2 LEU 12 2HD2 LEU 12 9.929 4.443 -1.256
103 3HD2 LEU 12 1HD2 LEU 12 11.226 3.263 -1.351
104 H ASP 13 H ASP 13 5.245 3.302 1.902
105 HA ASP 13 HA ASP 13 2.916 3.016 0.153
106 1HB ASP 13 2HB ASP 13 1.685 3.655 2.340
107 2HB ASP 13 1HB ASP 13 2.655 2.203 2.424
108 H ASP 14 H ASP 14 3.408 4.624 -1.345
109 HA ASP 14 HA ASP 14 3.528 7.435 -0.533
110 1HB ASP 14 2HB ASP 14 3.990 7.786 -2.908
111 2HB ASP 14 1HB ASP 14 5.015 6.504 -2.305
112 H CYS 15 H CYS 15 1.078 5.605 -0.330
113 HA CYS 15 HA CYS 15 -0.893 6.577 -2.152
114 1HB CYS 15 2HB CYS 15 -1.330 5.468 0.619
115 2HB CYS 15 1HB CYS 15 -2.454 5.469 -0.709
116 H CYS 16 H CYS 16 -2.774 7.744 -1.548
117 HA CYS 16 HA CYS 16 -2.135 10.343 -0.496
118 1HB CYS 16 2HB CYS 16 -4.058 9.383 -2.159
119 2HB CYS 16 1HB CYS 16 -4.983 9.375 -0.687
120 H SER 17 H SER 17 -3.606 7.444 0.688
121 HA SER 17 HA SER 17 -4.235 8.501 3.346
122 1HB SER 17 2HB SER 17 -5.199 6.205 3.634
123 2HB SER 17 1HB SER 17 -5.792 6.925 2.134
124 HG SER 17 HG SER 17 -4.599 5.598 1.016
125 H ARG 18 H ARG 18 -1.619 7.196 1.747
126 HA ARG 18 HA ARG 18 0.450 6.347 2.349
127 1HB ARG 18 2HB ARG 18 -0.220 7.415 5.139
128 2HB ARG 18 1HB ARG 18 1.370 7.089 4.502
129 1HG ARG 18 2HG ARG 18 1.476 9.233 3.817
130 2HG ARG 18 1HG ARG 18 0.291 8.845 2.591
131 1HD ARG 18 2HD ARG 18 -1.499 9.309 4.448
132 2HD ARG 18 1HD ARG 18 -0.170 10.057 5.331
133 HE ARG 18 HE ARG 18 -0.423 11.000 2.572
134 1HH1 ARG 18 1HH2 ARG 18 0.597 12.635 4.824
135 2HH1 ARG 18 2HH2 ARG 18 -0.720 13.711 5.147
136 1HH2 ARG 18 2HH1 ARG 18 -3.021 11.749 3.382
137 2HH2 ARG 18 1HH1 ARG 18 -2.818 13.196 4.310
138 H LYS 19 H LYS 19 -2.014 4.755 2.697
139 HA LYS 19 HA LYS 19 -1.000 2.682 4.578
140 1HB LYS 19 2HB LYS 19 -3.755 3.767 4.025
141 2HB LYS 19 1HB LYS 19 -3.577 2.105 4.510
142 1HG LYS 19 2HG LYS 19 -2.219 4.311 6.103
143 2HG LYS 19 1HG LYS 19 -3.924 3.984 6.338
144 1HD LYS 19 2HD LYS 19 -3.302 1.527 6.737
145 2HD LYS 19 1HD LYS 19 -1.621 2.032 6.743
146 1HE LYS 19 2HE LYS 19 -2.104 3.595 8.631
147 2HE LYS 19 1HE LYS 19 -3.785 3.078 8.622
148 1HZ LYS 19 1HZ LYS 19 -2.860 0.761 8.932
149 2HZ LYS 19 3HZ LYS 19 -1.392 1.515 9.329
150 3HZ LYS 19 2HZ LYS 19 -2.781 1.819 10.257
151 H CYS 20 H CYS 20 -0.418 0.877 3.582
152 HA CYS 20 HA CYS 20 -1.668 0.124 1.003
153 1HB CYS 20 2HB CYS 20 1.200 0.057 1.963
154 2HB CYS 20 1HB CYS 20 0.668 -0.846 0.583
155 H ASN 21 H ASN 21 -2.877 -1.572 1.444
156 HA ASN 21 HA ASN 21 -2.696 -3.211 3.767
157 1HB ASN 21 2HB ASN 21 -4.489 -4.520 2.720
158 2HB ASN 21 1HB ASN 21 -4.775 -2.812 2.472
159 1HD2 ASN 21 2HD2 ASN 21 -5.439 -4.172 -0.801
160 2HD2 ASN 21 1HD2 ASN 21 -6.178 -3.954 0.711
161 H ARG 22 H ARG 22 -2.977 -5.694 3.320
162 HA ARG 22 HA ARG 22 -0.406 -6.741 2.954
163 1HB ARG 22 2HB ARG 22 -1.512 -8.914 3.361
164 2HB ARG 22 1HB ARG 22 -2.076 -7.699 4.487
165 1HG ARG 22 2HG ARG 22 -4.137 -7.361 3.161
166 2HG ARG 22 1HG ARG 22 -3.556 -8.469 1.929
167 1HD ARG 22 2HD ARG 22 -5.116 -9.675 3.362
168 2HD ARG 22 1HD ARG 22 -3.497 -10.301 3.665
169 HE ARG 22 HE ARG 22 -4.385 -8.112 5.439
170 1HH1 ARG 22 2HH1 ARG 22 -2.243 -10.092 6.091
171 2HH1 ARG 22 1HH1 ARG 22 -3.044 -11.149 7.204
172 1HH2 ARG 22 1HH2 ARG 22 -6.233 -10.026 6.289
173 2HH2 ARG 22 2HH2 ARG 22 -5.361 -11.111 7.319
174 H PHE 23 H PHE 23 -2.870 -6.102 0.685
175 HA PHE 23 HA PHE 23 -1.980 -8.106 -1.270
176 1HB PHE 23 2HB PHE 23 -4.098 -5.910 -1.328
177 2HB PHE 23 1HB PHE 23 -3.842 -7.074 -2.606
178 HD1 PHE 23 HD1 PHE 23 -4.044 -9.584 -2.009
179 HD2 PHE 23 HD2 PHE 23 -5.453 -6.483 0.557
180 HE1 PHE 23 HE1 PHE 23 -5.463 -11.197 -0.828
181 HE2 PHE 23 HE2 PHE 23 -6.869 -8.100 1.731
182 HZ PHE 23 HZ PHE 23 -6.879 -10.460 1.044
183 H ASN 24 H ASN 24 -0.525 -5.615 -0.167
184 HA ASN 24 HA ASN 24 0.916 -3.964 -0.891
185 1HB ASN 24 2HB ASN 24 1.133 -5.993 -3.188
186 2HB ASN 24 1HB ASN 24 2.267 -4.669 -2.946
187 1HD2 ASN 24 2HD2 ASN 24 2.215 -7.732 -0.201
188 2HD2 ASN 24 1HD2 ASN 24 0.819 -7.415 -1.111
189 H LYS 25 H LYS 25 -1.658 -3.417 -1.271
190 HA LYS 25 HA LYS 25 -1.643 -1.624 -3.635
191 1HB LYS 25 2HB LYS 25 -3.647 -3.691 -2.747
192 2HB LYS 25 1HB LYS 25 -4.262 -2.194 -3.396
193 1HG LYS 25 2HG LYS 25 -2.884 -2.533 -5.461
194 2HG LYS 25 1HG LYS 25 -2.228 -4.010 -4.785
195 1HD LYS 25 2HD LYS 25 -4.300 -5.157 -4.928
196 2HD LYS 25 1HD LYS 25 -5.227 -3.675 -5.078
197 1HE LYS 25 2HE LYS 25 -4.584 -3.343 -7.335
198 2HE LYS 25 1HE LYS 25 -3.189 -4.409 -7.202
199 1HZ LYS 25 3HZ LYS 25 -5.894 -5.477 -6.796
200 2HZ LYS 25 2HZ LYS 25 -5.298 -5.229 -8.368
201 3HZ LYS 25 1HZ LYS 25 -4.483 -6.274 -7.304
202 H CYS 26 H CYS 26 -2.885 0.341 -3.242
203 HA CYS 26 HA CYS 26 -2.564 1.288 -0.568
204 1HB CYS 26 2HB CYS 26 -3.987 2.398 -2.980
205 2HB CYS 26 1HB CYS 26 -3.883 3.264 -1.482
206 H VAL 27 H VAL 27 -4.293 2.436 0.532
207 HA VAL 27 HA VAL 27 -6.823 0.839 0.676
208 HB VAL 27 HB VAL 27 -5.287 2.120 2.990
209 1HG1 VAL 27 3HG1 VAL 27 -7.800 0.404 2.855
210 2HG1 VAL 27 2HG1 VAL 27 -6.878 0.585 4.338
211 3HG1 VAL 27 1HG1 VAL 27 -7.620 1.987 3.596
212 1HG2 VAL 27 2HG2 VAL 27 -5.450 -0.770 2.027
213 2HG2 VAL 27 1HG2 VAL 27 -4.001 0.208 2.169
214 3HG2 VAL 27 3HG2 VAL 27 -4.836 -0.329 3.613
No H/Q in entry = 214
Start of MODEL 18
1 1H CYS 1 1H CYS 1 0.306 11.595 -5.092
2 2H CYS 1 3H CYS 1 -1.011 12.667 -5.013
3 3H CYS 1 2H CYS 1 0.289 12.836 -3.933
4 HA CYS 1 HA CYS 1 -0.235 10.734 -2.901
5 1HB CYS 1 2HB CYS 1 -1.789 11.796 -1.574
6 2HB CYS 1 1HB CYS 1 -1.589 13.129 -2.650
7 H ARG 2 H ARG 2 -0.549 8.763 -3.751
8 HA ARG 2 HA ARG 2 -2.167 8.295 -6.119
9 1HB ARG 2 2HB ARG 2 -0.704 6.399 -4.241
10 2HB ARG 2 1HB ARG 2 -1.529 5.876 -5.694
11 1HG ARG 2 2HG ARG 2 -0.003 7.945 -6.699
12 2HG ARG 2 1HG ARG 2 1.021 7.412 -5.383
13 1HD ARG 2 2HD ARG 2 1.756 6.021 -7.137
14 2HD ARG 2 1HD ARG 2 0.536 4.984 -6.406
15 HE ARG 2 HE ARG 2 -1.005 6.263 -8.180
16 1HH1 ARG 2 2HH1 ARG 2 1.463 7.246 -9.571
17 2HH1 ARG 2 1HH1 ARG 2 1.692 6.042 -10.794
18 1HH2 ARG 2 1HH2 ARG 2 -0.442 3.751 -9.234
19 2HH2 ARG 2 2HH2 ARG 2 0.589 4.018 -10.598
20 H ILE 3 H ILE 3 -3.926 6.881 -6.335
21 HA ILE 3 HA ILE 3 -5.981 7.245 -4.370
22 HB ILE 3 HB ILE 3 -7.228 5.633 -5.997
23 1HG1 ILE 3 2HG1 ILE 3 -4.956 6.135 -7.902
24 2HG1 ILE 3 1HG1 ILE 3 -4.824 4.778 -6.799
25 1HG2 ILE 3 3HG2 ILE 3 -5.942 8.188 -7.049
26 2HG2 ILE 3 2HG2 ILE 3 -7.356 7.417 -7.751
27 3HG2 ILE 3 1HG2 ILE 3 -7.437 8.091 -6.133
28 1HD1 ILE 3 1HD1 ILE 3 -7.317 5.154 -8.463
29 2HD1 ILE 3 3HD1 ILE 3 -5.899 4.341 -9.104
30 3HD1 ILE 3 2HD1 ILE 3 -6.715 3.691 -7.690
31 HA HYP 4 HA HYP 4 -6.012 3.275 -2.136
32 1HB HYP 4 1HB HYP 4 -8.166 2.895 -1.456
33 2HB HYP 4 2HB HYP 4 -8.754 2.753 -3.100
34 1HD HYP 4 1HD1 HYP 4 -7.362 6.556 -2.664
35 2HD HYP 4 2HD1 HYP 4 -8.140 5.995 -4.148
36 HOD HYP 4 HD2 HYP 4 -8.043 6.025 -1.011
37 HG HYP 4 HG HYP 4 -9.694 4.893 -2.747
38 H ASN 5 H ASN 5 -6.406 1.007 -2.574
39 HA ASN 5 HA ASN 5 -5.866 -0.911 -3.694
40 1HB ASN 5 2HB ASN 5 -7.262 -1.440 -5.572
41 2HB ASN 5 1HB ASN 5 -8.194 -0.356 -4.561
42 1HD2 ASN 5 2HD2 ASN 5 -8.649 1.981 -7.128
43 2HD2 ASN 5 1HD2 ASN 5 -9.096 1.420 -5.589
44 H GLN 6 H GLN 6 -4.394 1.832 -4.754
45 HA GLN 6 HA GLN 6 -3.199 0.966 -7.216
46 1HB GLN 6 2HB GLN 6 -3.338 3.380 -6.023
47 2HB GLN 6 1HB GLN 6 -1.781 2.910 -5.385
48 1HG GLN 6 2HG GLN 6 -1.022 3.808 -7.347
49 2HG GLN 6 1HG GLN 6 -1.373 2.216 -7.986
50 1HE2 GLN 6 2HE2 GLN 6 -3.532 5.402 -9.220
51 2HE2 GLN 6 1HE2 GLN 6 -2.266 5.561 -8.102
52 H LYS 7 H LYS 7 -1.598 -0.412 -7.533
53 HA LYS 7 HA LYS 7 -0.501 -2.083 -5.579
54 1HB LYS 7 2HB LYS 7 -0.518 -2.529 -8.035
55 2HB LYS 7 1HB LYS 7 0.746 -1.338 -8.255
56 1HG LYS 7 2HG LYS 7 2.031 -3.287 -8.119
57 2HG LYS 7 1HG LYS 7 2.056 -2.807 -6.438
58 1HD LYS 7 2HD LYS 7 0.105 -4.322 -5.998
59 2HD LYS 7 1HD LYS 7 0.141 -4.824 -7.678
60 1HE LYS 7 2HE LYS 7 1.870 -6.268 -7.311
61 2HE LYS 7 1HE LYS 7 2.812 -5.065 -6.449
62 1HZ LYS 7 3HZ LYS 7 0.842 -5.627 -4.709
63 2HZ LYS 7 2HZ LYS 7 1.123 -7.137 -5.432
64 3HZ LYS 7 1HZ LYS 7 2.400 -6.298 -4.691
65 H CYS 8 H CYS 8 0.387 -1.189 -3.851
66 HA CYS 8 HA CYS 8 3.017 0.187 -4.129
67 1HB CYS 8 2HB CYS 8 2.410 1.690 -2.292
68 2HB CYS 8 1HB CYS 8 1.362 1.915 -3.662
69 H PHE 9 H PHE 9 4.497 -0.550 -2.740
70 HA PHE 9 HA PHE 9 3.775 -2.897 -1.098
71 1HB PHE 9 2HB PHE 9 6.513 -1.665 -1.630
72 2HB PHE 9 1HB PHE 9 6.206 -3.252 -0.949
73 HD1 PHE 9 HD1 PHE 9 5.708 -1.204 -4.043
74 HD2 PHE 9 HD2 PHE 9 5.788 -5.131 -2.384
75 HE1 PHE 9 HE1 PHE 9 5.585 -2.155 -6.292
76 HE2 PHE 9 HE2 PHE 9 5.665 -6.076 -4.644
77 HZ PHE 9 HZ PHE 9 5.563 -4.593 -6.602
78 H GLN 10 H GLN 10 4.338 -3.090 1.030
79 HA GLN 10 HA GLN 10 3.536 -1.146 2.799
80 1HB GLN 10 2HB GLN 10 5.606 -3.214 3.586
81 2HB GLN 10 1HB GLN 10 4.276 -2.597 4.543
82 1HG GLN 10 2HG GLN 10 4.179 -4.595 2.256
83 2HG GLN 10 1HG GLN 10 3.549 -4.770 3.884
84 1HE2 GLN 10 2HE2 GLN 10 1.068 -3.527 1.049
85 2HE2 GLN 10 1HE2 GLN 10 2.553 -4.294 0.751
86 H HIS 11 H HIS 11 6.558 -1.251 1.254
87 HA HIS 11 HA HIS 11 7.942 0.439 3.245
88 1HB HIS 11 2HB HIS 11 8.808 -0.732 0.562
89 2HB HIS 11 1HB HIS 11 9.846 0.274 1.565
90 HD1 HIS 11 HD1 HIS 11 11.101 -1.004 3.303
91 HD2 HIS 11 HD2 HIS 11 7.903 -3.186 2.005
92 HE1 HIS 11 HE1 HIS 11 11.277 -3.209 4.393
93 H LEU 12 H LEU 12 7.158 0.565 -0.188
94 HA LEU 12 HA LEU 12 7.322 3.531 -0.167
95 1HB LEU 12 2HB LEU 12 7.158 3.294 -2.651
96 2HB LEU 12 1HB LEU 12 8.545 2.498 -1.960
97 HG LEU 12 HG LEU 12 6.166 0.701 -2.178
98 1HD1 LEU 12 2HD1 LEU 12 7.149 2.238 -4.563
99 2HD1 LEU 12 1HD1 LEU 12 6.951 0.513 -4.794
100 3HD1 LEU 12 3HD1 LEU 12 5.586 1.488 -4.277
101 1HD2 LEU 12 1HD2 LEU 12 9.066 0.497 -3.111
102 2HD2 LEU 12 3HD2 LEU 12 8.436 -0.113 -1.590
103 3HD2 LEU 12 2HD2 LEU 12 7.916 -0.826 -3.106
104 H ASP 13 H ASP 13 5.382 3.221 1.259
105 HA ASP 13 HA ASP 13 2.807 2.838 -0.118
106 1HB ASP 13 2HB ASP 13 1.992 3.676 2.297
107 2HB ASP 13 1HB ASP 13 2.661 2.069 2.133
108 H ASP 14 H ASP 14 3.231 4.428 -1.666
109 HA ASP 14 HA ASP 14 3.350 7.263 -0.921
110 1HB ASP 14 2HB ASP 14 3.437 7.465 -3.493
111 2HB ASP 14 1HB ASP 14 4.767 6.613 -2.737
112 H CYS 15 H CYS 15 0.936 5.532 -0.440
113 HA CYS 15 HA CYS 15 -1.153 6.431 -2.207
114 1HB CYS 15 2HB CYS 15 -1.440 5.390 0.604
115 2HB CYS 15 1HB CYS 15 -2.592 5.275 -0.691
116 H CYS 16 H CYS 16 -2.995 7.683 -1.472
117 HA CYS 16 HA CYS 16 -2.172 10.236 -0.384
118 1HB CYS 16 2HB CYS 16 -4.219 9.489 -2.010
119 2HB CYS 16 1HB CYS 16 -5.085 9.441 -0.499
120 H SER 17 H SER 17 -3.747 7.364 0.710
121 HA SER 17 HA SER 17 -4.353 8.297 3.399
122 1HB SER 17 2HB SER 17 -5.087 5.910 3.672
123 2HB SER 17 1HB SER 17 -5.721 6.537 2.146
124 HG SER 17 HG SER 17 -4.593 4.513 1.959
125 H ARG 18 H ARG 18 -1.707 7.241 1.672
126 HA ARG 18 HA ARG 18 0.469 6.671 2.130
127 1HB ARG 18 2HB ARG 18 -0.411 8.478 4.239
128 2HB ARG 18 1HB ARG 18 0.637 7.298 4.983
129 1HG ARG 18 2HG ARG 18 1.405 8.739 2.413
130 2HG ARG 18 1HG ARG 18 1.718 9.437 3.989
131 1HD ARG 18 2HD ARG 18 3.305 7.809 4.564
132 2HD ARG 18 1HD ARG 18 2.596 6.603 3.499
133 HE ARG 18 HE ARG 18 3.580 7.812 1.580
134 1HH1 ARG 18 2HH1 ARG 18 4.219 10.414 2.278
135 2HH1 ARG 18 1HH1 ARG 18 5.853 10.385 2.851
136 1HH2 ARG 18 1HH2 ARG 18 5.805 6.918 3.386
137 2HH2 ARG 18 2HH2 ARG 18 6.777 8.349 3.497
138 H LYS 19 H LYS 19 -1.843 4.859 2.718
139 HA LYS 19 HA LYS 19 -0.375 2.817 4.299
140 1HB LYS 19 2HB LYS 19 -3.198 3.819 4.452
141 2HB LYS 19 1HB LYS 19 -2.904 2.135 4.780
142 1HG LYS 19 2HG LYS 19 -1.454 2.642 6.636
143 2HG LYS 19 1HG LYS 19 -1.273 4.316 6.137
144 1HD LYS 19 2HD LYS 19 -3.774 4.618 6.549
145 2HD LYS 19 1HD LYS 19 -3.791 3.005 7.238
146 1HE LYS 19 2HE LYS 19 -3.485 4.405 9.132
147 2HE LYS 19 1HE LYS 19 -1.846 3.883 8.775
148 1HZ LYS 19 3HZ LYS 19 -2.998 6.373 7.678
149 2HZ LYS 19 2HZ LYS 19 -2.180 6.314 9.165
150 3HZ LYS 19 1HZ LYS 19 -1.366 5.907 7.732
151 H CYS 20 H CYS 20 -0.224 0.866 3.421
152 HA CYS 20 HA CYS 20 -1.747 0.240 0.970
153 1HB CYS 20 2HB CYS 20 1.121 -0.361 1.765
154 2HB CYS 20 1HB CYS 20 0.339 -1.007 0.359
155 H ASN 21 H ASN 21 -2.921 -1.608 1.186
156 HA ASN 21 HA ASN 21 -2.831 -3.045 3.720
157 1HB ASN 21 2HB ASN 21 -4.818 -4.205 2.886
158 2HB ASN 21 1HB ASN 21 -4.955 -2.500 2.508
159 1HD2 ASN 21 2HD2 ASN 21 -4.537 -2.983 -1.004
160 2HD2 ASN 21 1HD2 ASN 21 -4.253 -1.860 0.237
161 H ARG 22 H ARG 22 -3.424 -5.523 3.224
162 HA ARG 22 HA ARG 22 -1.043 -6.901 3.054
163 1HB ARG 22 2HB ARG 22 -2.541 -8.934 2.946
164 2HB ARG 22 1HB ARG 22 -2.881 -7.814 4.246
165 1HG ARG 22 2HG ARG 22 -4.844 -6.971 3.192
166 2HG ARG 22 1HG ARG 22 -4.374 -7.556 1.611
167 1HD ARG 22 2HD ARG 22 -6.181 -8.964 2.577
168 2HD ARG 22 1HD ARG 22 -4.709 -9.902 2.352
169 HE ARG 22 HE ARG 22 -4.457 -10.026 4.710
170 1HH1 ARG 22 1HH2 ARG 22 -5.100 -7.138 5.249
171 2HH1 ARG 22 2HH2 ARG 22 -6.565 -7.260 6.168
172 1HH2 ARG 22 2HH1 ARG 22 -7.127 -10.581 5.201
173 2HH2 ARG 22 1HH1 ARG 22 -7.740 -9.261 6.140
174 H PHE 23 H PHE 23 -3.177 -6.176 0.372
175 HA PHE 23 HA PHE 23 -1.875 -8.140 -1.380
176 1HB PHE 23 2HB PHE 23 -3.992 -6.029 -1.951
177 2HB PHE 23 1HB PHE 23 -3.539 -7.349 -3.001
178 HD1 PHE 23 HD1 PHE 23 -3.464 -9.724 -1.345
179 HD2 PHE 23 HD2 PHE 23 -6.132 -6.403 -1.093
180 HE1 PHE 23 HE1 PHE 23 -5.143 -11.145 -0.267
181 HE2 PHE 23 HE2 PHE 23 -7.801 -7.834 -0.016
182 HZ PHE 23 HZ PHE 23 -7.314 -10.207 0.399
183 H ASN 24 H ASN 24 -0.585 -5.660 -0.154
184 HA ASN 24 HA ASN 24 0.879 -3.952 -0.761
185 1HB ASN 24 2HB ASN 24 1.300 -6.071 -2.915
186 2HB ASN 24 1HB ASN 24 2.312 -4.630 -2.841
187 1HD2 ASN 24 2HD2 ASN 24 2.561 -7.441 0.143
188 2HD2 ASN 24 1HD2 ASN 24 1.153 -7.343 -0.801
189 H LYS 25 H LYS 25 -1.631 -3.484 -1.282
190 HA LYS 25 HA LYS 25 -1.670 -1.823 -3.751
191 1HB LYS 25 2HB LYS 25 -3.678 -3.700 -2.516
192 2HB LYS 25 1HB LYS 25 -4.290 -2.240 -3.256
193 1HG LYS 25 2HG LYS 25 -2.922 -2.900 -5.347
194 2HG LYS 25 1HG LYS 25 -2.637 -4.441 -4.559
195 1HD LYS 25 2HD LYS 25 -4.991 -4.965 -4.496
196 2HD LYS 25 1HD LYS 25 -5.441 -3.331 -4.947
197 1HE LYS 25 2HE LYS 25 -4.239 -3.699 -7.162
198 2HE LYS 25 1HE LYS 25 -4.060 -5.390 -6.706
199 1HZ LYS 25 2HZ LYS 25 -6.694 -4.084 -6.631
200 2HZ LYS 25 1HZ LYS 25 -6.068 -4.697 -8.086
201 3HZ LYS 25 3HZ LYS 25 -6.319 -5.734 -6.764
202 H CYS 26 H CYS 26 -3.150 0.146 -3.349
203 HA CYS 26 HA CYS 26 -2.432 1.269 -0.756
204 1HB CYS 26 2HB CYS 26 -3.769 2.292 -3.222
205 2HB CYS 26 1HB CYS 26 -3.828 3.235 -1.772
206 H VAL 27 H VAL 27 -4.090 2.709 0.244
207 HA VAL 27 HA VAL 27 -6.640 1.242 0.761
208 HB VAL 27 HB VAL 27 -4.785 2.681 2.731
209 1HG1 VAL 27 2HG1 VAL 27 -7.521 1.403 3.131
210 2HG1 VAL 27 1HG1 VAL 27 -6.395 1.635 4.458
211 3HG1 VAL 27 3HG1 VAL 27 -7.007 3.024 3.583
212 1HG2 VAL 27 3HG2 VAL 27 -3.972 0.428 2.013
213 2HG2 VAL 27 2HG2 VAL 27 -4.482 0.393 3.688
214 3HG2 VAL 27 1HG2 VAL 27 -5.525 -0.268 2.440
No H/Q in entry = 214
Start of MODEL 19
1 1H CYS 1 3H CYS 1 0.404 11.866 -4.952
2 2H CYS 1 2H CYS 1 -0.917 12.931 -4.849
3 3H CYS 1 1H CYS 1 0.384 13.081 -3.766
4 HA CYS 1 HA CYS 1 -0.128 10.935 -2.802
5 1HB CYS 1 2HB CYS 1 -1.649 11.964 -1.419
6 2HB CYS 1 1HB CYS 1 -1.451 13.327 -2.458
7 H ARG 2 H ARG 2 -0.572 8.977 -3.621
8 HA ARG 2 HA ARG 2 -2.117 8.603 -6.047
9 1HB ARG 2 2HB ARG 2 -0.554 6.816 -4.201
10 2HB ARG 2 1HB ARG 2 -1.636 6.064 -5.344
11 1HG ARG 2 2HG ARG 2 0.276 8.209 -6.313
12 2HG ARG 2 1HG ARG 2 0.883 6.598 -6.021
13 1HD ARG 2 2HD ARG 2 -1.528 6.244 -7.540
14 2HD ARG 2 1HD ARG 2 -0.645 7.560 -8.297
15 HE ARG 2 HE ARG 2 0.748 4.999 -7.655
16 1HH1 ARG 2 1HH2 ARG 2 2.530 6.622 -9.012
17 2HH1 ARG 2 2HH2 ARG 2 2.224 6.386 -10.700
18 1HH2 ARG 2 2HH1 ARG 2 -0.948 5.015 -10.146
19 2HH2 ARG 2 1HH1 ARG 2 0.211 5.454 -11.357
20 H ILE 3 H ILE 3 -3.668 6.864 -6.275
21 HA ILE 3 HA ILE 3 -5.946 7.305 -4.539
22 HB ILE 3 HB ILE 3 -7.026 5.705 -6.243
23 1HG1 ILE 3 2HG1 ILE 3 -4.964 6.148 -8.291
24 2HG1 ILE 3 1HG1 ILE 3 -4.285 5.233 -6.972
25 1HG2 ILE 3 2HG2 ILE 3 -5.696 8.266 -7.204
26 2HG2 ILE 3 1HG2 ILE 3 -7.037 7.474 -8.017
27 3HG2 ILE 3 3HG2 ILE 3 -7.259 8.144 -6.410
28 1HD1 ILE 3 3HD1 ILE 3 -6.951 4.241 -7.801
29 2HD1 ILE 3 2HD1 ILE 3 -5.717 4.142 -9.042
30 3HD1 ILE 3 1HD1 ILE 3 -5.457 3.368 -7.494
31 HA HYP 4 HA HYP 4 -6.019 3.349 -2.250
32 1HB HYP 4 1HB HYP 4 -8.196 3.017 -1.608
33 2HB HYP 4 2HB HYP 4 -8.793 3.062 -3.257
34 1HD HYP 4 1HD1 HYP 4 -7.120 6.698 -2.671
35 2HD HYP 4 2HD1 HYP 4 -7.996 6.242 -4.141
36 HOD HYP 4 HD2 HYP 4 -8.365 6.309 -0.945
37 HG HYP 4 HG HYP 4 -9.564 5.237 -2.638
38 H ASN 5 H ASN 5 -6.260 1.125 -2.724
39 HA ASN 5 HA ASN 5 -5.981 -0.815 -3.926
40 1HB ASN 5 2HB ASN 5 -7.503 -1.172 -5.616
41 2HB ASN 5 1HB ASN 5 -8.127 0.378 -5.110
42 1HD2 ASN 5 2HD2 ASN 5 -7.579 1.844 -8.247
43 2HD2 ASN 5 1HD2 ASN 5 -8.325 1.926 -6.724
44 H GLN 6 H GLN 6 -4.499 2.039 -5.009
45 HA GLN 6 HA GLN 6 -3.020 1.228 -7.257
46 1HB GLN 6 2HB GLN 6 -3.116 3.547 -6.478
47 2HB GLN 6 1HB GLN 6 -2.321 3.131 -4.986
48 1HG GLN 6 2HG GLN 6 -0.652 4.149 -6.389
49 2HG GLN 6 1HG GLN 6 -0.265 2.441 -6.348
50 1HE2 GLN 6 2HE2 GLN 6 -2.120 3.766 -9.780
51 2HE2 GLN 6 1HE2 GLN 6 -2.679 4.318 -8.275
52 H LYS 7 H LYS 7 -1.641 -0.367 -7.490
53 HA LYS 7 HA LYS 7 -0.679 -2.052 -5.448
54 1HB LYS 7 2HB LYS 7 -0.847 -2.486 -7.987
55 2HB LYS 7 1HB LYS 7 0.674 -1.639 -8.149
56 1HG LYS 7 2HG LYS 7 1.170 -4.000 -8.027
57 2HG LYS 7 1HG LYS 7 1.699 -3.297 -6.516
58 1HD LYS 7 2HD LYS 7 0.271 -4.593 -5.307
59 2HD LYS 7 1HD LYS 7 -1.107 -4.152 -6.297
60 1HE LYS 7 2HE LYS 7 -0.662 -5.937 -7.838
61 2HE LYS 7 1HE LYS 7 0.946 -6.210 -7.173
62 1HZ LYS 7 3HZ LYS 7 -0.274 -6.679 -5.011
63 2HZ LYS 7 2HZ LYS 7 -1.670 -6.822 -5.968
64 3HZ LYS 7 1HZ LYS 7 -0.346 -7.854 -6.235
65 H CYS 8 H CYS 8 0.314 -1.103 -3.824
66 HA CYS 8 HA CYS 8 2.948 0.241 -4.266
67 1HB CYS 8 2HB CYS 8 2.392 1.590 -2.240
68 2HB CYS 8 1HB CYS 8 1.381 1.902 -3.624
69 H PHE 9 H PHE 9 4.521 -0.127 -2.638
70 HA PHE 9 HA PHE 9 4.198 -2.763 -1.334
71 1HB PHE 9 2HB PHE 9 6.302 -2.316 -2.567
72 2HB PHE 9 1HB PHE 9 6.605 -0.897 -1.579
73 HD1 PHE 9 HD1 PHE 9 5.591 -4.442 -0.782
74 HD2 PHE 9 HD2 PHE 9 8.365 -1.286 -0.098
75 HE1 PHE 9 HE1 PHE 9 6.759 -5.825 0.868
76 HE2 PHE 9 HE2 PHE 9 9.533 -2.672 1.550
77 HZ PHE 9 HZ PHE 9 8.735 -4.944 2.039
78 H GLN 10 H GLN 10 4.498 -3.083 0.813
79 HA GLN 10 HA GLN 10 3.138 -1.597 2.653
80 1HB GLN 10 2HB GLN 10 5.580 -3.321 3.220
81 2HB GLN 10 1HB GLN 10 4.324 -2.930 4.377
82 1HG GLN 10 2HG GLN 10 2.940 -3.990 2.105
83 2HG GLN 10 1HG GLN 10 4.365 -4.997 2.278
84 1HE2 GLN 10 2HE2 GLN 10 1.364 -5.233 5.001
85 2HE2 GLN 10 1HE2 GLN 10 1.317 -4.086 3.750
86 H HIS 11 H HIS 11 6.533 -1.248 1.865
87 HA HIS 11 HA HIS 11 6.921 0.899 3.866
88 1HB HIS 11 2HB HIS 11 8.822 -0.406 1.870
89 2HB HIS 11 1HB HIS 11 9.287 0.909 2.931
90 HD1 HIS 11 HD1 HIS 11 10.406 -0.004 4.921
91 HD2 HIS 11 HD2 HIS 11 7.510 -2.599 3.695
92 HE1 HIS 11 HE1 HIS 11 10.457 -1.898 6.500
93 H LEU 12 H LEU 12 6.811 0.444 0.392
94 HA LEU 12 HA LEU 12 7.180 3.335 -0.147
95 1HB LEU 12 2HB LEU 12 6.617 1.111 -2.152
96 2HB LEU 12 1HB LEU 12 7.286 2.686 -2.488
97 HG LEU 12 HG LEU 12 8.721 0.663 -0.702
98 1HD1 LEU 12 3HD1 LEU 12 8.415 -0.247 -3.016
99 2HD1 LEU 12 2HD1 LEU 12 9.159 1.204 -3.668
100 3HD1 LEU 12 1HD1 LEU 12 10.097 0.106 -2.667
101 1HD2 LEU 12 1HD2 LEU 12 9.585 3.242 -2.068
102 2HD2 LEU 12 3HD2 LEU 12 9.519 2.923 -0.341
103 3HD2 LEU 12 2HD2 LEU 12 10.705 2.103 -1.338
104 H ASP 13 H ASP 13 5.107 3.328 1.294
105 HA ASP 13 HA ASP 13 2.621 2.931 -0.207
106 1HB ASP 13 2HB ASP 13 1.717 4.250 1.938
107 2HB ASP 13 1HB ASP 13 2.197 2.576 2.082
108 H ASP 14 H ASP 14 2.543 4.194 -1.873
109 HA ASP 14 HA ASP 14 3.175 7.063 -1.803
110 1HB ASP 14 2HB ASP 14 2.439 6.786 -4.294
111 2HB ASP 14 1HB ASP 14 3.928 6.012 -3.790
112 H CYS 15 H CYS 15 0.531 5.111 -1.209
113 HA CYS 15 HA CYS 15 -1.704 6.342 -2.305
114 1HB CYS 15 2HB CYS 15 -1.629 5.401 0.509
115 2HB CYS 15 1HB CYS 15 -2.904 5.141 -0.663
116 H CYS 16 H CYS 16 -3.182 7.872 -1.536
117 HA CYS 16 HA CYS 16 -2.034 10.252 -0.442
118 1HB CYS 16 2HB CYS 16 -4.309 9.742 -1.823
119 2HB CYS 16 1HB CYS 16 -5.001 9.737 -0.228
120 H SER 17 H SER 17 -3.961 7.657 0.882
121 HA SER 17 HA SER 17 -4.054 8.675 3.592
122 1HB SER 17 2HB SER 17 -5.160 6.493 4.027
123 2HB SER 17 1HB SER 17 -5.820 7.157 2.532
124 HG SER 17 HG SER 17 -4.986 4.912 2.497
125 H ARG 18 H ARG 18 -1.742 7.218 1.712
126 HA ARG 18 HA ARG 18 0.340 6.307 2.049
127 1HB ARG 18 2HB ARG 18 -0.091 8.187 4.212
128 2HB ARG 18 1HB ARG 18 0.671 6.796 4.936
129 1HG ARG 18 2HG ARG 18 2.654 7.594 4.206
130 2HG ARG 18 1HG ARG 18 2.175 7.191 2.574
131 1HD ARG 18 2HD ARG 18 1.589 9.855 3.935
132 2HD ARG 18 1HD ARG 18 2.864 9.568 2.754
133 HE ARG 18 HE ARG 18 -0.052 9.254 2.126
134 1HH1 ARG 18 1HH2 ARG 18 2.074 8.175 0.265
135 2HH1 ARG 18 2HH2 ARG 18 2.217 9.463 -0.886
136 1HH2 ARG 18 2HH1 ARG 18 0.573 11.759 1.195
137 2HH2 ARG 18 1HH1 ARG 18 1.341 11.551 -0.344
138 H LYS 19 H LYS 19 -2.219 4.857 2.762
139 HA LYS 19 HA LYS 19 -1.131 2.691 4.477
140 1HB LYS 19 2HB LYS 19 -3.914 3.665 3.844
141 2HB LYS 19 1HB LYS 19 -3.625 2.087 4.531
142 1HG LYS 19 2HG LYS 19 -2.784 2.967 6.561
143 2HG LYS 19 1HG LYS 19 -2.353 4.505 5.833
144 1HD LYS 19 2HD LYS 19 -4.813 5.000 5.537
145 2HD LYS 19 1HD LYS 19 -5.184 3.516 6.393
146 1HE LYS 19 2HE LYS 19 -3.437 5.702 7.605
147 2HE LYS 19 1HE LYS 19 -5.180 5.650 7.819
148 1HZ LYS 19 1HZ LYS 19 -4.852 3.324 8.640
149 2HZ LYS 19 3HZ LYS 19 -3.188 3.657 8.693
150 3HZ LYS 19 2HZ LYS 19 -4.264 4.558 9.647
151 H CYS 20 H CYS 20 -0.477 0.933 3.464
152 HA CYS 20 HA CYS 20 -1.777 0.085 0.940
153 1HB CYS 20 2HB CYS 20 1.121 0.007 1.849
154 2HB CYS 20 1HB CYS 20 0.529 -0.878 0.483
155 H ASN 21 H ASN 21 -2.932 -1.652 1.437
156 HA ASN 21 HA ASN 21 -2.651 -3.186 3.829
157 1HB ASN 21 2HB ASN 21 -4.466 -4.547 2.904
158 2HB ASN 21 1HB ASN 21 -4.771 -2.853 2.581
159 1HD2 ASN 21 2HD2 ASN 21 -5.546 -4.353 -0.595
160 2HD2 ASN 21 1HD2 ASN 21 -6.225 -4.084 0.937
161 H ARG 22 H ARG 22 -2.906 -5.687 3.478
162 HA ARG 22 HA ARG 22 -0.335 -6.725 3.110
163 1HB ARG 22 2HB ARG 22 -1.588 -8.962 3.363
164 2HB ARG 22 1HB ARG 22 -1.736 -7.813 4.673
165 1HG ARG 22 2HG ARG 22 -3.968 -7.400 4.281
166 2HG ARG 22 1HG ARG 22 -3.824 -7.547 2.543
167 1HD ARG 22 2HD ARG 22 -3.548 -10.074 2.887
168 2HD ARG 22 1HD ARG 22 -3.987 -9.804 4.573
169 HE ARG 22 HE ARG 22 -5.771 -9.034 2.288
170 1HH1 ARG 22 2HH1 ARG 22 -6.221 -8.281 5.239
171 2HH1 ARG 22 1HH1 ARG 22 -7.415 -9.452 5.689
172 1HH2 ARG 22 1HH2 ARG 22 -6.814 -11.445 2.871
173 2HH2 ARG 22 2HH2 ARG 22 -7.759 -11.289 4.314
174 H PHE 23 H PHE 23 -2.834 -6.202 0.872
175 HA PHE 23 HA PHE 23 -1.898 -8.205 -1.093
176 1HB PHE 23 2HB PHE 23 -4.220 -6.275 -0.857
177 2HB PHE 23 1HB PHE 23 -3.772 -6.824 -2.453
178 HD1 PHE 23 HD1 PHE 23 -3.655 -8.819 0.740
179 HD2 PHE 23 HD2 PHE 23 -5.575 -8.228 -3.024
180 HE1 PHE 23 HE1 PHE 23 -4.942 -10.872 1.070
181 HE2 PHE 23 HE2 PHE 23 -6.858 -10.288 -2.682
182 HZ PHE 23 HZ PHE 23 -6.546 -11.614 -0.635
183 H ASN 24 H ASN 24 -0.527 -5.650 -0.021
184 HA ASN 24 HA ASN 24 0.849 -3.953 -0.756
185 1HB ASN 24 2HB ASN 24 1.134 -6.003 -3.022
186 2HB ASN 24 1HB ASN 24 2.198 -4.613 -2.843
187 1HD2 ASN 24 2HD2 ASN 24 2.392 -7.624 -0.048
188 2HD2 ASN 24 1HD2 ASN 24 0.968 -7.422 -0.951
189 H LYS 25 H LYS 25 -1.808 -3.618 -1.244
190 HA LYS 25 HA LYS 25 -1.847 -1.860 -3.646
191 1HB LYS 25 2HB LYS 25 -3.810 -3.904 -2.608
192 2HB LYS 25 1HB LYS 25 -4.461 -2.438 -3.298
193 1HG LYS 25 2HG LYS 25 -2.769 -2.972 -5.287
194 2HG LYS 25 1HG LYS 25 -2.763 -4.588 -4.614
195 1HD LYS 25 2HD LYS 25 -4.953 -5.023 -5.225
196 2HD LYS 25 1HD LYS 25 -5.472 -3.364 -5.026
197 1HE LYS 25 2HE LYS 25 -3.662 -3.226 -7.198
198 2HE LYS 25 1HE LYS 25 -4.531 -4.728 -7.451
199 1HZ LYS 25 3HZ LYS 25 -5.923 -2.208 -6.806
200 2HZ LYS 25 2HZ LYS 25 -5.530 -2.646 -8.399
201 3HZ LYS 25 1HZ LYS 25 -6.564 -3.631 -7.478
202 H CYS 26 H CYS 26 -3.031 0.098 -3.316
203 HA CYS 26 HA CYS 26 -2.706 1.144 -0.669
204 1HB CYS 26 2HB CYS 26 -3.943 2.194 -3.188
205 2HB CYS 26 1HB CYS 26 -3.963 3.117 -1.721
206 H VAL 27 H VAL 27 -4.354 2.436 0.309
207 HA VAL 27 HA VAL 27 -7.028 1.106 0.467
208 HB VAL 27 HB VAL 27 -5.377 2.170 2.805
209 1HG1 VAL 27 3HG1 VAL 27 -8.055 0.717 2.625
210 2HG1 VAL 27 2HG1 VAL 27 -7.139 0.791 4.122
211 3HG1 VAL 27 1HG1 VAL 27 -7.725 2.268 3.382
212 1HG2 VAL 27 2HG2 VAL 27 -5.873 -0.711 1.890
213 2HG2 VAL 27 1HG2 VAL 27 -4.322 0.110 1.901
214 3HG2 VAL 27 3HG2 VAL 27 -5.115 -0.278 3.413
No H/Q in entry = 214
Start of MODEL 20
1 1H CYS 1 2H CYS 1 0.971 11.308 -5.222
2 2H CYS 1 1H CYS 1 -0.274 12.464 -5.242
3 3H CYS 1 3H CYS 1 0.994 12.600 -4.118
4 HA CYS 1 HA CYS 1 0.295 10.547 -3.054
5 1HB CYS 1 2HB CYS 1 -1.157 11.759 -1.759
6 2HB CYS 1 1HB CYS 1 -0.792 13.068 -2.828
7 H ARG 2 H ARG 2 -0.154 8.635 -3.897
8 HA ARG 2 HA ARG 2 -1.789 8.205 -6.242
9 1HB ARG 2 2HB ARG 2 -0.411 6.370 -4.258
10 2HB ARG 2 1HB ARG 2 -1.407 5.716 -5.539
11 1HG ARG 2 2HG ARG 2 0.600 7.801 -6.343
12 2HG ARG 2 1HG ARG 2 1.255 6.264 -5.817
13 1HD ARG 2 2HD ARG 2 -0.189 5.094 -7.487
14 2HD ARG 2 1HD ARG 2 -0.794 6.668 -8.023
15 HE ARG 2 HE ARG 2 2.133 6.264 -8.090
16 1HH1 ARG 2 1HH2 ARG 2 1.845 8.299 -9.729
17 2HH1 ARG 2 2HH2 ARG 2 1.321 7.729 -11.279
18 1HH2 ARG 2 1HH1 ARG 2 0.401 5.607 -11.441
19 2HH2 ARG 2 2HH1 ARG 2 0.256 4.644 -10.007
20 H ILE 3 H ILE 3 -3.603 6.746 -6.374
21 HA ILE 3 HA ILE 3 -5.619 7.434 -4.391
22 HB ILE 3 HB ILE 3 -7.084 6.069 -6.008
23 1HG1 ILE 3 2HG1 ILE 3 -4.808 6.273 -7.971
24 2HG1 ILE 3 1HG1 ILE 3 -4.871 4.884 -6.899
25 1HG2 ILE 3 1HG2 ILE 3 -6.905 8.547 -6.088
26 2HG2 ILE 3 3HG2 ILE 3 -5.488 8.419 -7.117
27 3HG2 ILE 3 2HG2 ILE 3 -7.053 7.887 -7.706
28 1HD1 ILE 3 1HD1 ILE 3 -7.185 5.748 -8.652
29 2HD1 ILE 3 3HD1 ILE 3 -6.015 4.513 -9.089
30 3HD1 ILE 3 2HD1 ILE 3 -7.066 4.271 -7.700
31 HA HYP 4 HA HYP 4 -5.964 3.583 -2.069
32 1HB HYP 4 1HB HYP 4 -8.123 3.414 -1.307
33 2HB HYP 4 2HB HYP 4 -8.801 3.427 -2.923
34 1HD HYP 4 1HD1 HYP 4 -6.885 6.966 -2.642
35 2HD HYP 4 2HD1 HYP 4 -7.876 6.463 -4.022
36 HOD HYP 4 HD2 HYP 4 -7.885 6.733 -0.834
37 HG HYP 4 HG HYP 4 -9.393 5.670 -2.345
38 H ASN 5 H ASN 5 -6.230 1.417 -2.335
39 HA ASN 5 HA ASN 5 -5.996 -0.633 -3.307
40 1HB ASN 5 2HB ASN 5 -7.795 -1.260 -4.545
41 2HB ASN 5 1HB ASN 5 -8.373 0.334 -4.159
42 1HD2 ASN 5 1HD2 ASN 5 -6.275 1.366 -6.412
43 2HD2 ASN 5 2HD2 ASN 5 -7.170 1.065 -7.817
44 H GLN 6 H GLN 6 -4.573 1.952 -4.841
45 HA GLN 6 HA GLN 6 -3.646 0.577 -7.225
46 1HB GLN 6 2HB GLN 6 -3.446 3.251 -6.098
47 2HB GLN 6 1HB GLN 6 -1.854 2.730 -6.598
48 1HG GLN 6 2HG GLN 6 -2.964 2.004 -8.828
49 2HG GLN 6 1HG GLN 6 -4.370 2.916 -8.297
50 1HE2 GLN 6 2HE2 GLN 6 -1.623 4.941 -10.183
51 2HE2 GLN 6 1HE2 GLN 6 -2.032 3.308 -10.400
52 H LYS 7 H LYS 7 -1.786 -0.412 -7.636
53 HA LYS 7 HA LYS 7 -0.480 -1.925 -5.694
54 1HB LYS 7 2HB LYS 7 -0.418 -2.496 -8.075
55 2HB LYS 7 1HB LYS 7 0.477 -1.042 -8.449
56 1HG LYS 7 2HG LYS 7 1.909 -3.102 -8.401
57 2HG LYS 7 1HG LYS 7 2.461 -1.872 -7.287
58 1HD LYS 7 2HD LYS 7 1.748 -3.044 -5.395
59 2HD LYS 7 1HD LYS 7 0.555 -3.996 -6.267
60 1HE LYS 7 2HE LYS 7 2.241 -5.578 -5.911
61 2HE LYS 7 1HE LYS 7 2.729 -4.977 -7.488
62 1HZ LYS 7 1HZ LYS 7 3.737 -3.938 -4.902
63 2HZ LYS 7 3HZ LYS 7 4.543 -5.074 -5.873
64 3HZ LYS 7 2HZ LYS 7 4.273 -3.501 -6.453
65 H CYS 8 H CYS 8 0.500 -1.128 -4.010
66 HA CYS 8 HA CYS 8 2.789 0.744 -4.336
67 1HB CYS 8 2HB CYS 8 2.064 1.951 -2.326
68 2HB CYS 8 1HB CYS 8 0.896 2.063 -3.609
69 H PHE 9 H PHE 9 4.472 0.348 -3.003
70 HA PHE 9 HA PHE 9 4.481 -2.267 -1.625
71 1HB PHE 9 2HB PHE 9 6.621 -0.289 -2.445
72 2HB PHE 9 1HB PHE 9 7.000 -1.597 -1.340
73 HD1 PHE 9 HD1 PHE 9 6.794 -3.966 -2.117
74 HD2 PHE 9 HD2 PHE 9 6.195 -0.698 -4.789
75 HE1 PHE 9 HE1 PHE 9 7.042 -5.480 -4.030
76 HE2 PHE 9 HE2 PHE 9 6.443 -2.217 -6.698
77 HZ PHE 9 HZ PHE 9 6.868 -4.610 -6.323
78 H GLN 10 H GLN 10 4.471 -2.512 0.479
79 HA GLN 10 HA GLN 10 3.625 -0.614 2.296
80 1HB GLN 10 2HB GLN 10 4.295 -2.259 4.046
81 2HB GLN 10 1HB GLN 10 3.469 -3.023 2.707
82 1HG GLN 10 2HG GLN 10 6.518 -2.927 2.743
83 2HG GLN 10 1HG GLN 10 5.649 -4.141 3.653
84 1HE2 GLN 10 2HE2 GLN 10 4.510 -5.896 0.758
85 2HE2 GLN 10 1HE2 GLN 10 4.160 -5.587 2.390
86 H HIS 11 H HIS 11 6.832 -1.303 1.258
87 HA HIS 11 HA HIS 11 8.299 -0.025 3.380
88 1HB HIS 11 2HB HIS 11 9.236 -0.349 0.500
89 2HB HIS 11 1HB HIS 11 10.229 -0.305 1.951
90 HD1 HIS 11 HD1 HIS 11 9.612 -2.444 3.608
91 HD2 HIS 11 HD2 HIS 11 8.605 -2.878 -0.324
92 HE1 HIS 11 HE1 HIS 11 9.293 -4.862 3.235
93 H LEU 12 H LEU 12 7.104 1.031 0.266
94 HA LEU 12 HA LEU 12 7.596 3.892 1.005
95 1HB LEU 12 2HB LEU 12 7.883 4.286 -1.481
96 2HB LEU 12 1HB LEU 12 9.165 3.348 -0.762
97 HG LEU 12 HG LEU 12 7.020 1.565 -1.686
98 1HD1 LEU 12 1HD1 LEU 12 6.577 3.364 -3.346
99 2HD1 LEU 12 3HD1 LEU 12 8.267 3.346 -3.818
100 3HD1 LEU 12 2HD1 LEU 12 7.254 1.943 -4.118
101 1HD2 LEU 12 3HD2 LEU 12 9.440 0.964 -1.220
102 2HD2 LEU 12 2HD2 LEU 12 8.869 0.414 -2.784
103 3HD2 LEU 12 1HD2 LEU 12 9.890 1.840 -2.672
104 H ASP 13 H ASP 13 5.528 3.689 1.949
105 HA ASP 13 HA ASP 13 3.169 3.144 0.391
106 1HB ASP 13 2HB ASP 13 3.564 3.330 3.046
107 2HB ASP 13 1HB ASP 13 3.064 4.993 2.804
108 H ASP 14 H ASP 14 3.184 4.241 -1.426
109 HA ASP 14 HA ASP 14 3.599 7.140 -1.582
110 1HB ASP 14 2HB ASP 14 3.186 6.616 -4.073
111 2HB ASP 14 1HB ASP 14 4.599 5.880 -3.345
112 H CYS 15 H CYS 15 1.003 5.293 -0.757
113 HA CYS 15 HA CYS 15 -1.113 6.437 -2.306
114 1HB CYS 15 2HB CYS 15 -1.388 5.401 0.497
115 2HB CYS 15 1HB CYS 15 -2.542 5.340 -0.803
116 H CYS 16 H CYS 16 -2.720 7.851 -1.635
117 HA CYS 16 HA CYS 16 -1.744 10.281 -0.380
118 1HB CYS 16 2HB CYS 16 -3.681 9.785 -2.224
119 2HB CYS 16 1HB CYS 16 -4.689 9.779 -0.806
120 H SER 17 H SER 17 -3.666 7.530 0.425
121 HA SER 17 HA SER 17 -4.469 8.416 3.078
122 1HB SER 17 2HB SER 17 -5.453 6.096 3.152
123 2HB SER 17 1HB SER 17 -5.903 6.894 1.639
124 HG SER 17 HG SER 17 -3.774 5.087 2.108
125 H ARG 18 H ARG 18 -1.639 7.497 1.810
126 HA ARG 18 HA ARG 18 0.319 6.471 2.491
127 1HB ARG 18 2HB ARG 18 1.130 7.342 4.619
128 2HB ARG 18 1HB ARG 18 0.202 8.587 3.822
129 1HG ARG 18 2HG ARG 18 -1.605 8.423 5.342
130 2HG ARG 18 1HG ARG 18 -1.146 6.816 5.882
131 1HD ARG 18 2HD ARG 18 0.916 7.794 6.941
132 2HD ARG 18 1HD ARG 18 0.346 9.397 6.479
133 HE ARG 18 HE ARG 18 -1.269 9.276 8.191
134 1HH1 ARG 18 2HH1 ARG 18 -2.557 6.736 7.528
135 2HH1 ARG 18 1HH1 ARG 18 -2.130 5.710 8.858
136 1HH2 ARG 18 1HH2 ARG 18 0.488 7.787 9.895
137 2HH2 ARG 18 2HH2 ARG 18 -0.367 6.318 10.229
138 H LYS 19 H LYS 19 -1.984 4.756 2.608
139 HA LYS 19 HA LYS 19 -1.044 2.741 4.574
140 1HB LYS 19 2HB LYS 19 -3.768 3.901 4.101
141 2HB LYS 19 1HB LYS 19 -3.663 2.195 4.455
142 1HG LYS 19 2HG LYS 19 -2.689 2.572 6.600
143 2HG LYS 19 1HG LYS 19 -2.209 4.209 6.200
144 1HD LYS 19 2HD LYS 19 -4.282 5.104 6.642
145 2HD LYS 19 1HD LYS 19 -5.150 3.706 6.042
146 1HE LYS 19 2HE LYS 19 -5.444 3.915 8.483
147 2HE LYS 19 1HE LYS 19 -4.559 2.444 8.109
148 1HZ LYS 19 1HZ LYS 19 -2.493 3.798 8.485
149 2HZ LYS 19 3HZ LYS 19 -3.497 4.998 9.143
150 3HZ LYS 19 2HZ LYS 19 -3.431 3.459 9.860
151 H CYS 20 H CYS 20 -0.517 0.893 3.609
152 HA CYS 20 HA CYS 20 -1.766 0.141 1.034
153 1HB CYS 20 2HB CYS 20 1.116 0.053 1.967
154 2HB CYS 20 1HB CYS 20 0.545 -0.891 0.633
155 H ASN 21 H ASN 21 -2.925 -1.636 1.398
156 HA ASN 21 HA ASN 21 -2.768 -3.234 3.757
157 1HB ASN 21 2HB ASN 21 -4.504 -4.602 2.679
158 2HB ASN 21 1HB ASN 21 -4.830 -2.906 2.418
159 1HD2 ASN 21 2HD2 ASN 21 -5.394 -4.172 -0.877
160 2HD2 ASN 21 1HD2 ASN 21 -6.171 -3.903 0.608
161 H ARG 22 H ARG 22 -3.000 -5.742 3.283
162 HA ARG 22 HA ARG 22 -0.396 -6.737 3.041
163 1HB ARG 22 2HB ARG 22 -1.444 -8.916 3.423
164 2HB ARG 22 1HB ARG 22 -2.158 -7.706 4.464
165 1HG ARG 22 2HG ARG 22 -4.082 -7.471 2.861
166 2HG ARG 22 1HG ARG 22 -3.367 -8.708 1.843
167 1HD ARG 22 2HD ARG 22 -5.064 -9.760 3.239
168 2HD ARG 22 1HD ARG 22 -3.486 -10.320 3.781
169 HE ARG 22 HE ARG 22 -4.882 -8.049 5.146
170 1HH1 ARG 22 1HH2 ARG 22 -2.185 -8.923 6.050
171 2HH1 ARG 22 2HH2 ARG 22 -2.557 -10.004 7.352
172 1HH2 ARG 22 2HH1 ARG 22 -5.901 -10.360 6.369
173 2HH2 ARG 22 1HH1 ARG 22 -4.713 -10.839 7.537
174 H PHE 23 H PHE 23 -2.816 -6.235 0.666
175 HA PHE 23 HA PHE 23 -1.703 -8.153 -1.256
176 1HB PHE 23 2HB PHE 23 -3.955 -6.111 -1.452
177 2HB PHE 23 1HB PHE 23 -3.575 -7.323 -2.654
178 HD1 PHE 23 HD2 PHE 23 -3.540 -9.818 -1.832
179 HD2 PHE 23 HD1 PHE 23 -5.476 -6.659 0.277
180 HE1 PHE 23 HE2 PHE 23 -4.922 -11.456 -0.640
181 HE2 PHE 23 HE1 PHE 23 -6.855 -8.300 1.465
182 HZ PHE 23 HZ PHE 23 -6.582 -10.702 1.011
183 H ASN 24 H ASN 24 -0.361 -5.626 -0.165
184 HA ASN 24 HA ASN 24 0.996 -3.895 -0.907
185 1HB ASN 24 2HB ASN 24 1.221 -5.688 -3.394
186 2HB ASN 24 1HB ASN 24 2.391 -4.483 -2.880
187 1HD2 ASN 24 2HD2 ASN 24 2.180 -8.073 -0.916
188 2HD2 ASN 24 1HD2 ASN 24 0.908 -7.584 -1.926
189 H LYS 25 H LYS 25 -1.675 -3.538 -1.269
190 HA LYS 25 HA LYS 25 -1.834 -1.768 -3.659
191 1HB LYS 25 2HB LYS 25 -3.730 -3.798 -2.514
192 2HB LYS 25 1HB LYS 25 -4.429 -2.339 -3.166
193 1HG LYS 25 2HG LYS 25 -3.055 -2.802 -5.302
194 2HG LYS 25 1HG LYS 25 -2.654 -4.359 -4.612
195 1HD LYS 25 2HD LYS 25 -5.553 -3.445 -4.886
196 2HD LYS 25 1HD LYS 25 -4.711 -4.208 -6.217
197 1HE LYS 25 2HE LYS 25 -5.647 -6.090 -5.221
198 2HE LYS 25 1HE LYS 25 -4.119 -6.057 -4.361
199 1HZ LYS 25 3HZ LYS 25 -5.425 -4.561 -2.724
200 2HZ LYS 25 2HZ LYS 25 -6.790 -5.267 -3.443
201 3HZ LYS 25 1HZ LYS 25 -5.632 -6.245 -2.678
202 H CYS 26 H CYS 26 -3.085 0.195 -3.239
203 HA CYS 26 HA CYS 26 -2.596 1.223 -0.594
204 1HB CYS 26 2HB CYS 26 -4.066 2.278 -2.999
205 2HB CYS 26 1HB CYS 26 -3.930 3.183 -1.525
206 H VAL 27 H VAL 27 -4.390 2.434 0.504
207 HA VAL 27 HA VAL 27 -6.872 0.768 0.699
208 HB VAL 27 HB VAL 27 -5.379 2.106 3.002
209 1HG1 VAL 27 2HG1 VAL 27 -7.779 0.222 2.882
210 2HG1 VAL 27 1HG1 VAL 27 -6.879 0.518 4.361
211 3HG1 VAL 27 3HG1 VAL 27 -7.727 1.835 3.577
212 1HG2 VAL 27 2HG2 VAL 27 -5.409 -0.799 2.056
213 2HG2 VAL 27 1HG2 VAL 27 -4.005 0.244 2.157
214 3HG2 VAL 27 3HG2 VAL 27 -4.787 -0.306 3.623
No H/Q in entry = 214