NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
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10881 |
1qk7   |
4410 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -7.548 -4.673 -9.531
2 H2 GLY 1 H2 GLY 1 -7.988 -4.030 -8.021
3 H3 GLY 1 H3 GLY 1 -9.119 -4.074 -9.284
4 1HA GLY 1 1HA GLY 1 -7.899 -2.467 -10.544
5 2HA GLY 1 2HA GLY 1 -8.180 -1.837 -8.920
6 H CYS 2 H CYS 2 -6.409 -1.202 -7.760
7 HA CYS 2 HA CYS 2 -3.720 -1.725 -8.937
8 1HB CYS 2 1HB CYS 2 -4.680 0.192 -6.789
9 2HB CYS 2 2HB CYS 2 -3.074 0.183 -7.514
10 H LEU 3 H LEU 3 -5.693 -2.997 -6.479
11 HA LEU 3 HA LEU 3 -3.808 -3.398 -4.349
12 1HB LEU 3 1HB LEU 3 -6.290 -3.637 -4.224
13 2HB LEU 3 2HB LEU 3 -6.180 -5.076 -5.237
14 HG LEU 3 HG LEU 3 -4.309 -5.502 -3.190
15 1HD1 LEU 3 1HD1 LEU 3 -6.596 -3.863 -2.275
16 2HD1 LEU 3 2HD1 LEU 3 -6.284 -5.311 -1.317
17 3HD1 LEU 3 3HD1 LEU 3 -5.014 -4.107 -1.533
18 1HD2 LEU 3 1HD2 LEU 3 -6.000 -7.045 -4.391
19 2HD2 LEU 3 2HD2 LEU 3 -5.670 -7.378 -2.690
20 3HD2 LEU 3 3HD2 LEU 3 -7.148 -6.534 -3.153
21 H GLY 4 H GLY 4 -1.947 -4.574 -4.505
22 1HA GLY 4 1HA GLY 4 -1.230 -7.027 -4.821
23 2HA GLY 4 2HA GLY 4 -1.855 -6.838 -6.459
24 H ASP 5 H ASP 5 -0.821 -3.943 -6.412
25 HA ASP 5 HA ASP 5 1.683 -4.402 -7.730
26 1HB ASP 5 1HB ASP 5 -0.139 -2.305 -7.271
27 2HB ASP 5 2HB ASP 5 1.384 -1.745 -6.582
28 H LYS 6 H LYS 6 3.731 -4.598 -6.880
29 HA LYS 6 HA LYS 6 4.082 -4.673 -3.968
30 1HB LYS 6 1HB LYS 6 5.709 -5.237 -6.433
31 2HB LYS 6 2HB LYS 6 6.523 -5.113 -4.873
32 1HG LYS 6 1HG LYS 6 5.483 -6.997 -4.020
33 2HG LYS 6 2HG LYS 6 4.062 -6.806 -5.047
34 1HD LYS 6 1HD LYS 6 4.949 -8.102 -6.669
35 2HD LYS 6 2HD LYS 6 6.484 -7.236 -6.617
36 1HE LYS 6 2HE LYS 6 6.748 -8.584 -4.316
37 2HE LYS 6 1HE LYS 6 7.172 -9.336 -5.866
38 1HZ LYS 6 1HZ LYS 6 4.502 -9.463 -4.545
39 2HZ LYS 6 2HZ LYS 6 4.921 -10.206 -6.016
40 3HZ LYS 6 3HZ LYS 6 5.637 -10.723 -4.566
41 H CYS 7 H CYS 7 5.458 -3.267 -2.763
42 HA CYS 7 HA CYS 7 6.607 -0.892 -4.130
43 1HB CYS 7 1HB CYS 7 5.331 0.611 -2.617
44 2HB CYS 7 2HB CYS 7 4.255 -0.346 -3.635
45 H ASP 8 H ASP 8 7.928 0.424 -2.569
46 HA ASP 8 HA ASP 8 8.824 -1.128 -0.167
47 1HB ASP 8 1HB ASP 8 10.325 -0.192 -2.585
48 2HB ASP 8 2HB ASP 8 11.164 -0.179 -1.033
49 H TYR 9 H TYR 9 9.450 1.984 -1.874
50 HA TYR 9 HA TYR 9 8.882 3.419 0.690
51 1HB TYR 9 1HB TYR 9 11.381 2.860 0.092
52 2HB TYR 9 2HB TYR 9 11.203 4.175 -1.071
53 HD1 TYR 9 HD1 TYR 9 10.349 6.442 -0.214
54 HD2 TYR 9 HD2 TYR 9 11.755 3.320 2.382
55 HE1 TYR 9 HE1 TYR 9 10.673 8.097 1.604
56 HE2 TYR 9 HE2 TYR 9 12.079 4.977 4.198
57 HH TYR 9 HH TYR 9 12.465 7.924 3.948
58 H ASN 10 H ASN 10 9.900 4.097 -2.693
59 HA ASN 10 HA ASN 10 7.685 6.120 -2.845
60 1HB ASN 10 1HB ASN 10 10.302 6.671 -2.828
61 2HB ASN 10 2HB ASN 10 10.150 6.273 -4.540
62 2HD2 ASN 10 1HD2 ASN 10 9.553 8.729 -2.169
63 1HD2 ASN 10 2HD2 ASN 10 8.711 9.800 -3.181
64 H ASN 11 H ASN 11 7.303 3.360 -3.548
65 HA ASN 11 HA ASN 11 7.716 2.782 -6.323
66 1HB ASN 11 1HB ASN 11 7.012 1.282 -4.343
67 2HB ASN 11 2HB ASN 11 5.374 1.869 -4.638
68 2HD2 ASN 11 1HD2 ASN 11 8.029 -0.028 -6.058
69 1HD2 ASN 11 2HD2 ASN 11 7.089 -0.746 -7.275
70 H GLY 12 H GLY 12 4.765 3.990 -4.658
71 1HA GLY 12 1HA GLY 12 3.500 5.875 -5.607
72 2HA GLY 12 2HA GLY 12 4.011 5.345 -7.210
73 H CYS 13 H CYS 13 2.043 4.320 -4.410
74 HA CYS 13 HA CYS 13 0.630 2.269 -5.963
75 1HB CYS 13 1HB CYS 13 0.245 3.557 -3.239
76 2HB CYS 13 2HB CYS 13 -0.776 2.250 -3.838
77 H CYS 14 H CYS 14 -1.869 2.448 -6.069
78 HA CYS 14 HA CYS 14 -2.616 4.816 -7.540
79 1HB CYS 14 1HB CYS 14 -3.913 2.336 -6.481
80 2HB CYS 14 2HB CYS 14 -4.966 3.650 -7.006
81 H SER 15 H SER 15 -4.399 6.312 -6.889
82 HA SER 15 HA SER 15 -3.963 7.587 -4.381
83 1HB SER 15 1HB SER 15 -6.104 8.765 -4.993
84 2HB SER 15 2HB SER 15 -4.943 8.699 -6.313
85 HG SER 15 HG SER 15 -6.379 7.637 -7.402
86 H GLY 16 H GLY 16 -4.500 6.837 -2.377
87 1HA GLY 16 1HA GLY 16 -6.247 6.207 -0.774
88 2HA GLY 16 2HA GLY 16 -7.038 5.297 -2.059
89 H TYR 17 H TYR 17 -4.131 4.375 -2.807
90 HA TYR 17 HA TYR 17 -4.181 1.999 -1.027
91 1HB TYR 17 1HB TYR 17 -3.033 2.756 -3.699
92 2HB TYR 17 2HB TYR 17 -2.349 1.382 -2.833
93 HD1 TYR 17 HD1 TYR 17 -5.380 2.733 -4.454
94 HD2 TYR 17 HD2 TYR 17 -3.630 -0.648 -2.467
95 HE1 TYR 17 HE1 TYR 17 -7.271 1.313 -5.202
96 HE2 TYR 17 HE2 TYR 17 -5.518 -2.068 -3.214
97 HH TYR 17 HH TYR 17 -7.338 -1.637 -5.525
98 H VAL 18 H VAL 18 -2.355 1.388 0.228
99 HA VAL 18 HA VAL 18 -0.139 3.407 0.434
100 HB VAL 18 HB VAL 18 -1.308 1.833 2.741
101 1HG1 VAL 18 1HG1 VAL 18 0.342 4.366 2.515
102 2HG1 VAL 18 2HG1 VAL 18 -0.341 3.765 4.026
103 3HG1 VAL 18 3HG1 VAL 18 0.868 2.813 3.164
104 1HG2 VAL 18 1HG2 VAL 18 -2.188 4.501 1.605
105 2HG2 VAL 18 2HG2 VAL 18 -3.186 3.086 1.936
106 3HG2 VAL 18 3HG2 VAL 18 -2.520 4.027 3.271
107 H CYS 19 H CYS 19 1.883 2.447 1.352
108 HA CYS 19 HA CYS 19 2.341 -0.274 0.287
109 1HB CYS 19 1HB CYS 19 3.803 1.843 0.017
110 2HB CYS 19 2HB CYS 19 4.312 1.548 1.679
111 H SER 20 H SER 20 1.773 -1.922 1.670
112 HA SER 20 HA SER 20 1.891 -1.603 4.595
113 1HB SER 20 1HB SER 20 0.676 -3.327 2.599
114 2HB SER 20 2HB SER 20 1.421 -4.286 3.876
115 HG SER 20 HG SER 20 0.070 -3.451 5.308
116 H ARG 21 H ARG 21 3.249 -2.907 5.979
117 HA ARG 21 HA ARG 21 5.879 -3.568 4.787
118 1HB ARG 21 1HB ARG 21 4.809 -3.461 7.626
119 2HB ARG 21 2HB ARG 21 6.494 -3.775 7.211
120 1HG ARG 21 1HG ARG 21 6.582 -1.585 6.026
121 2HG ARG 21 2HG ARG 21 4.925 -1.265 6.544
122 1HD ARG 21 1HD ARG 21 5.624 -1.420 8.913
123 2HD ARG 21 2HD ARG 21 7.292 -1.736 8.397
124 HE ARG 21 HE ARG 21 6.645 0.578 7.033
125 1HH1 ARG 21 1HH1 ARG 21 4.730 1.133 9.296
126 2HH1 ARG 21 2HH1 ARG 21 5.730 2.018 10.400
127 1HH2 ARG 21 1HH2 ARG 21 8.708 1.043 8.903
128 2HH2 ARG 21 2HH2 ARG 21 7.985 1.967 10.177
129 H THR 22 H THR 22 3.013 -5.292 5.368
130 HA THR 22 HA THR 22 4.178 -7.776 6.376
131 HB THR 22 HB THR 22 1.531 -7.370 4.951
132 HG1 THR 22 HG1 THR 22 0.804 -6.374 6.656
133 1HG2 THR 22 1HG2 THR 22 2.436 -9.686 5.628
134 2HG2 THR 22 2HG2 THR 22 2.165 -9.163 7.291
135 3HG2 THR 22 3HG2 THR 22 0.810 -9.265 6.165
136 H TRP 23 H TRP 23 2.489 -7.148 3.274
137 HA TRP 23 HA TRP 23 4.256 -9.187 1.984
138 1HB TRP 23 1HB TRP 23 1.711 -7.955 0.899
139 2HB TRP 23 2HB TRP 23 2.454 -9.481 0.436
140 HD1 TRP 23 HD1 TRP 23 -0.472 -8.515 2.066
141 HE1 TRP 23 HE1 TRP 23 -1.198 -10.126 3.945
142 HE3 TRP 23 HE3 TRP 23 3.904 -11.051 2.805
143 HZ2 TRP 23 HZ2 TRP 23 -0.074 -12.215 5.548
144 HZ3 TRP 23 HZ3 TRP 23 4.047 -12.843 4.511
145 HH2 TRP 23 HH2 TRP 23 2.066 -13.428 5.882
146 H LYS 24 H LYS 24 4.335 -5.943 2.431
147 HA LYS 24 HA LYS 24 5.238 -4.120 1.254
148 1HB LYS 24 2HB LYS 24 7.123 -4.790 -0.200
149 2HB LYS 24 1HB LYS 24 6.523 -6.449 -0.212
150 1HG LYS 24 1HG LYS 24 6.983 -5.138 2.441
151 2HG LYS 24 2HG LYS 24 7.152 -6.834 1.984
152 1HD LYS 24 1HD LYS 24 9.245 -6.473 0.957
153 2HD LYS 24 2HD LYS 24 8.995 -4.729 0.861
154 1HE LYS 24 1HE LYS 24 8.790 -5.247 3.591
155 2HE LYS 24 2HE LYS 24 10.107 -6.311 3.059
156 1HZ LYS 24 1HZ LYS 24 9.853 -3.424 2.388
157 2HZ LYS 24 2HZ LYS 24 10.915 -4.069 3.546
158 3HZ LYS 24 3HZ LYS 24 11.118 -4.452 1.907
159 H TRP 25 H TRP 25 2.796 -4.121 0.397
160 HA TRP 25 HA TRP 25 2.983 -3.773 -2.537
161 1HB TRP 25 2HB TRP 25 2.258 -6.184 -1.689
162 2HB TRP 25 1HB TRP 25 1.471 -5.448 -3.079
163 HD1 TRP 25 HD1 TRP 25 -1.046 -5.199 -2.984
164 HE1 TRP 25 HE1 TRP 25 -2.855 -5.463 -1.171
165 HE3 TRP 25 HE3 TRP 25 1.906 -5.825 1.141
166 HZ2 TRP 25 HZ2 TRP 25 -3.037 -5.877 1.639
167 HZ3 TRP 25 HZ3 TRP 25 0.878 -6.149 3.372
168 HH2 TRP 25 HH2 TRP 25 -1.585 -6.177 3.627
169 H CYS 26 H CYS 26 0.805 -2.843 -3.372
170 HA CYS 26 HA CYS 26 0.061 -0.581 -1.665
171 1HB CYS 26 2HB CYS 26 -1.256 0.047 -3.667
172 2HB CYS 26 1HB CYS 26 -0.961 -1.547 -4.361
173 H VAL 27 H VAL 27 -1.505 -0.785 -0.113
174 HA VAL 27 HA VAL 27 -3.773 -2.682 -0.633
175 HB VAL 27 HB VAL 27 -2.484 -3.601 1.111
176 1HG1 VAL 27 1HG1 VAL 27 -2.172 -0.755 2.042
177 2HG1 VAL 27 2HG1 VAL 27 -1.879 -2.101 3.144
178 3HG1 VAL 27 3HG1 VAL 27 -0.914 -1.937 1.677
179 1HG2 VAL 27 1HG2 VAL 27 -4.901 -3.408 1.665
180 2HG2 VAL 27 2HG2 VAL 27 -3.877 -3.428 3.100
181 3HG2 VAL 27 3HG2 VAL 27 -4.554 -1.906 2.522
182 H LEU 28 H LEU 28 -5.797 -2.066 0.386
183 HA LEU 28 HA LEU 28 -6.512 0.695 -0.071
184 1HB LEU 28 1HB LEU 28 -7.789 -1.733 0.141
185 2HB LEU 28 2HB LEU 28 -8.263 -0.953 1.649
186 HG LEU 28 HG LEU 28 -9.890 -0.434 -0.109
187 1HD1 LEU 28 1HD1 LEU 28 -8.940 1.332 1.619
188 2HD1 LEU 28 2HD1 LEU 28 -8.328 2.112 0.159
189 3HD1 LEU 28 3HD1 LEU 28 -10.060 1.836 0.352
190 1HD2 LEU 28 1HD2 LEU 28 -7.439 -0.043 -1.663
191 2HD2 LEU 28 2HD2 LEU 28 -9.083 -0.351 -2.222
192 3HD2 LEU 28 3HD2 LEU 28 -8.573 1.295 -1.848
193 H ALA 29 H ALA 29 -6.300 2.402 1.312
194 HA ALA 29 HA ALA 29 -5.127 2.158 3.930
195 1HB ALA 29 3HB ALA 29 -5.510 4.569 3.992
196 2HB ALA 29 2HB ALA 29 -6.706 4.442 2.703
197 3HB ALA 29 1HB ALA 29 -5.006 4.116 2.364
198 H GLY 30 H GLY 30 -6.190 1.382 5.711
199 1HA GLY 30 1HA GLY 30 -9.136 1.872 5.923
200 2HA GLY 30 2HA GLY 30 -8.316 0.483 6.634
201 HA PRO 31 HA PRO 31 -7.390 4.424 9.257
202 1HB PRO 31 1HB PRO 31 -9.444 6.237 9.272
203 2HB PRO 31 2HB PRO 31 -8.078 6.333 8.143
204 1HG PRO 31 2HG PRO 31 -9.764 6.240 6.602
205 2HG PRO 31 1HG PRO 31 -10.845 5.354 7.687
206 1HD PRO 31 1HD PRO 31 -10.234 3.537 6.456
207 2HD PRO 31 2HD PRO 31 -8.778 4.340 5.831
208 H TRP 32 H TRP 32 -7.939 2.447 10.569
209 HA TRP 32 HA TRP 32 -9.107 1.337 12.292
210 1HB TRP 32 1HB TRP 32 -9.554 4.279 12.561
211 2HB TRP 32 2HB TRP 32 -10.509 3.225 13.603
212 HD1 TRP 32 HD1 TRP 32 -9.262 1.844 15.454
213 HE1 TRP 32 HE1 TRP 32 -6.879 1.971 16.429
214 HE3 TRP 32 HE3 TRP 32 -7.035 4.813 11.949
215 HZ2 TRP 32 HZ2 TRP 32 -4.361 3.174 15.803
216 HZ3 TRP 32 HZ3 TRP 32 -4.646 5.437 12.164
217 HH2 TRP 32 HH2 TRP 32 -3.307 4.621 14.085
No H/Q in entry = 217
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 2.710 -3.141 10.562
2 H2 GLY 1 H2 GLY 1 4.192 -2.757 11.300
3 H3 GLY 1 H3 GLY 1 2.767 -1.996 11.817
4 1HA GLY 1 1HA GLY 1 3.985 -0.459 10.470
5 2HA GLY 1 2HA GLY 1 4.108 -1.665 9.188
6 H CYS 2 H CYS 2 2.952 -0.379 7.664
7 HA CYS 2 HA CYS 2 0.079 0.176 8.324
8 1HB CYS 2 1HB CYS 2 2.039 1.325 6.321
9 2HB CYS 2 2HB CYS 2 0.331 1.750 6.350
10 H LEU 3 H LEU 3 1.652 -2.339 7.061
11 HA LEU 3 HA LEU 3 0.625 -2.665 4.396
12 1HB LEU 3 1HB LEU 3 2.481 -3.907 5.755
13 2HB LEU 3 2HB LEU 3 1.153 -4.912 6.340
14 HG LEU 3 HG LEU 3 1.195 -4.456 3.413
15 1HD1 LEU 3 1HD1 LEU 3 3.377 -5.949 4.874
16 2HD1 LEU 3 2HD1 LEU 3 2.925 -6.354 3.217
17 3HD1 LEU 3 3HD1 LEU 3 3.543 -4.746 3.594
18 1HD2 LEU 3 1HD2 LEU 3 -0.242 -6.040 5.001
19 2HD2 LEU 3 2HD2 LEU 3 0.210 -6.555 3.375
20 3HD2 LEU 3 3HD2 LEU 3 1.129 -7.127 4.768
21 H GLY 4 H GLY 4 -1.527 -2.718 3.922
22 1HA GLY 4 1HA GLY 4 -3.477 -4.397 4.163
23 2HA GLY 4 2HA GLY 4 -3.399 -3.988 5.877
24 H ASP 5 H ASP 5 -2.751 -1.133 5.283
25 HA ASP 5 HA ASP 5 -5.414 -0.065 5.262
26 1HB ASP 5 1HB ASP 5 -3.438 0.993 6.303
27 2HB ASP 5 2HB ASP 5 -2.719 1.223 4.711
28 H LYS 6 H LYS 6 -6.394 1.296 3.607
29 HA LYS 6 HA LYS 6 -5.887 0.303 0.867
30 1HB LYS 6 1HB LYS 6 -8.018 1.495 0.408
31 2HB LYS 6 2HB LYS 6 -8.168 0.415 1.792
32 1HG LYS 6 1HG LYS 6 -7.261 3.057 2.615
33 2HG LYS 6 2HG LYS 6 -8.787 3.148 1.738
34 1HD LYS 6 1HD LYS 6 -8.978 0.911 3.476
35 2HD LYS 6 2HD LYS 6 -8.316 2.240 4.427
36 1HE LYS 6 1HE LYS 6 -10.180 3.666 3.900
37 2HE LYS 6 2HE LYS 6 -10.769 2.538 2.663
38 1HZ LYS 6 1HZ LYS 6 -10.454 1.873 5.544
39 2HZ LYS 6 2HZ LYS 6 -11.930 2.281 4.809
40 3HZ LYS 6 3HZ LYS 6 -11.114 0.870 4.341
41 H CYS 7 H CYS 7 -5.381 1.694 -0.904
42 HA CYS 7 HA CYS 7 -4.070 4.262 -0.109
43 1HB CYS 7 1HB CYS 7 -3.439 2.024 -1.801
44 2HB CYS 7 2HB CYS 7 -3.487 3.487 -2.783
45 H ASP 8 H ASP 8 -7.055 3.756 -0.769
46 HA ASP 8 HA ASP 8 -7.285 5.690 -3.055
47 1HB ASP 8 1HB ASP 8 -8.385 3.108 -2.545
48 2HB ASP 8 2HB ASP 8 -9.714 4.266 -2.469
49 H TYR 9 H TYR 9 -8.773 4.707 0.053
50 HA TYR 9 HA TYR 9 -10.571 6.942 0.254
51 1HB TYR 9 1HB TYR 9 -10.111 4.568 1.562
52 2HB TYR 9 2HB TYR 9 -9.528 5.737 2.746
53 HD1 TYR 9 HD1 TYR 9 -12.396 5.474 0.320
54 HD2 TYR 9 HD2 TYR 9 -11.097 6.436 4.301
55 HE1 TYR 9 HE1 TYR 9 -14.734 6.007 0.954
56 HE2 TYR 9 HE2 TYR 9 -13.434 6.969 4.935
57 HH TYR 9 HH TYR 9 -16.070 6.034 3.214
58 H ASN 10 H ASN 10 -7.504 6.334 2.034
59 HA ASN 10 HA ASN 10 -7.271 9.287 2.480
60 1HB ASN 10 1HB ASN 10 -7.376 7.380 4.311
61 2HB ASN 10 2HB ASN 10 -5.670 7.187 3.910
62 2HD2 ASN 10 1HD2 ASN 10 -8.057 9.631 5.017
63 1HD2 ASN 10 2HD2 ASN 10 -6.913 10.625 5.782
64 H ASN 11 H ASN 11 -5.663 6.482 1.079
65 HA ASN 11 HA ASN 11 -3.671 6.271 -0.163
66 1HB ASN 11 1HB ASN 11 -5.148 8.115 -1.289
67 2HB ASN 11 2HB ASN 11 -3.943 9.237 -0.657
68 2HD2 ASN 11 1HD2 ASN 11 -3.302 9.698 -2.937
69 1HD2 ASN 11 2HD2 ASN 11 -2.323 8.597 -3.779
70 H GLY 12 H GLY 12 -3.126 6.494 2.530
71 1HA GLY 12 1HA GLY 12 -0.598 8.059 2.526
72 2HA GLY 12 2HA GLY 12 -1.730 8.290 3.860
73 H CYS 13 H CYS 13 0.366 5.942 2.272
74 HA CYS 13 HA CYS 13 -0.070 3.876 4.320
75 1HB CYS 13 1HB CYS 13 1.861 4.189 1.997
76 2HB CYS 13 2HB CYS 13 1.691 2.719 2.956
77 H CYS 14 H CYS 14 2.394 2.888 4.885
78 HA CYS 14 HA CYS 14 3.466 4.792 6.827
79 1HB CYS 14 1HB CYS 14 3.631 1.943 6.130
80 2HB CYS 14 2HB CYS 14 5.169 2.600 6.682
81 H SER 15 H SER 15 6.015 4.934 6.903
82 HA SER 15 HA SER 15 6.915 6.323 4.533
83 1HB SER 15 1HB SER 15 9.068 6.380 5.836
84 2HB SER 15 2HB SER 15 7.674 6.912 6.769
85 HG SER 15 HG SER 15 9.029 5.394 7.881
86 H GLY 16 H GLY 16 7.456 5.264 2.672
87 1HA GLY 16 1HA GLY 16 9.031 3.887 1.441
88 2HA GLY 16 2HA GLY 16 9.208 2.864 2.865
89 H TYR 17 H TYR 17 5.936 3.553 2.485
90 HA TYR 17 HA TYR 17 5.478 0.880 1.244
91 1HB TYR 17 1HB TYR 17 4.146 2.659 3.211
92 2HB TYR 17 2HB TYR 17 3.060 1.772 2.143
93 HD1 TYR 17 HD1 TYR 17 6.100 1.240 4.276
94 HD2 TYR 17 HD2 TYR 17 2.482 -0.424 2.671
95 HE1 TYR 17 HE1 TYR 17 6.452 -0.819 5.614
96 HE2 TYR 17 HE2 TYR 17 2.832 -2.481 4.007
97 HH TYR 17 HH TYR 17 4.451 -2.799 6.500
98 H VAL 18 H VAL 18 4.212 0.682 -0.640
99 HA VAL 18 HA VAL 18 3.414 3.251 -1.974
100 HB VAL 18 HB VAL 18 4.056 2.101 -4.092
101 1HG1 VAL 18 1HG1 VAL 18 5.675 3.490 -2.727
102 2HG1 VAL 18 2HG1 VAL 18 6.301 1.981 -2.064
103 3HG1 VAL 18 3HG1 VAL 18 6.432 2.306 -3.792
104 1HG2 VAL 18 1HG2 VAL 18 3.662 -0.227 -3.130
105 2HG2 VAL 18 2HG2 VAL 18 5.140 -0.042 -4.073
106 3HG2 VAL 18 3HG2 VAL 18 5.215 -0.061 -2.311
107 H CYS 19 H CYS 19 1.614 3.006 -3.530
108 HA CYS 19 HA CYS 19 -0.506 1.261 -2.479
109 1HB CYS 19 2HB CYS 19 -1.895 2.554 -4.014
110 2HB CYS 19 1HB CYS 19 -0.467 3.146 -4.861
111 H SER 20 H SER 20 -0.548 -0.855 -3.165
112 HA SER 20 HA SER 20 0.756 -1.788 -5.574
113 1HB SER 20 1HB SER 20 -0.516 -2.828 -3.232
114 2HB SER 20 2HB SER 20 -1.233 -3.613 -4.635
115 HG SER 20 HG SER 20 0.548 -4.693 -4.827
116 H ARG 21 H ARG 21 -0.259 -2.623 -7.487
117 HA ARG 21 HA ARG 21 -2.737 -1.195 -8.258
118 1HB ARG 21 1HB ARG 21 -0.781 -2.965 -9.765
119 2HB ARG 21 2HB ARG 21 -2.078 -2.031 -10.510
120 1HG ARG 21 1HG ARG 21 -0.119 -0.618 -8.729
121 2HG ARG 21 2HG ARG 21 0.372 -1.038 -10.369
122 1HD ARG 21 1HD ARG 21 -2.267 0.080 -10.503
123 2HD ARG 21 2HD ARG 21 -1.240 1.173 -9.554
124 HE ARG 21 HE ARG 21 0.093 1.534 -11.486
125 1HH1 ARG 21 1HH1 ARG 21 1.161 -0.630 -12.668
126 2HH1 ARG 21 2HH1 ARG 21 0.135 -1.104 -13.981
127 1HH2 ARG 21 1HH2 ARG 21 -2.611 0.692 -12.840
128 2HH2 ARG 21 2HH2 ARG 21 -2.003 -0.355 -14.079
129 H THR 22 H THR 22 -2.362 -3.943 -6.557
130 HA THR 22 HA THR 22 -4.275 -5.592 -8.152
131 HB THR 22 HB THR 22 -2.641 -6.258 -5.676
132 HG1 THR 22 HG1 THR 22 -1.102 -6.069 -7.118
133 1HG2 THR 22 1HG2 THR 22 -4.120 -7.962 -7.697
134 2HG2 THR 22 2HG2 THR 22 -3.037 -8.599 -6.459
135 3HG2 THR 22 3HG2 THR 22 -4.519 -7.766 -5.990
136 H TRP 23 H TRP 23 -3.859 -5.396 -4.607
137 HA TRP 23 HA TRP 23 -6.795 -5.242 -4.277
138 1HB TRP 23 1HB TRP 23 -4.608 -5.334 -2.176
139 2HB TRP 23 2HB TRP 23 -6.294 -5.798 -1.980
140 HD1 TRP 23 HD1 TRP 23 -3.158 -7.402 -2.198
141 HE1 TRP 23 HE1 TRP 23 -3.301 -9.750 -3.262
142 HE3 TRP 23 HE3 TRP 23 -7.772 -7.115 -4.378
143 HZ2 TRP 23 HZ2 TRP 23 -5.129 -11.300 -4.825
144 HZ3 TRP 23 HZ3 TRP 23 -8.688 -9.037 -5.643
145 HH2 TRP 23 HH2 TRP 23 -7.375 -11.128 -5.870
146 H LYS 24 H LYS 24 -4.544 -2.928 -4.892
147 HA LYS 24 HA LYS 24 -4.369 -0.621 -4.436
148 1HB LYS 24 1HB LYS 24 -7.250 -1.120 -3.607
149 2HB LYS 24 2HB LYS 24 -6.560 0.445 -4.030
150 1HG LYS 24 2HG LYS 24 -5.931 -1.333 -6.159
151 2HG LYS 24 1HG LYS 24 -7.036 0.044 -6.190
152 1HD LYS 24 1HD LYS 24 -7.739 -2.787 -5.347
153 2HD LYS 24 2HD LYS 24 -8.847 -1.414 -5.323
154 1HE LYS 24 1HE LYS 24 -8.481 -1.133 -7.792
155 2HE LYS 24 2HE LYS 24 -7.511 -2.619 -7.772
156 1HZ LYS 24 1HZ LYS 24 -9.384 -3.790 -6.785
157 2HZ LYS 24 2HZ LYS 24 -10.320 -2.372 -6.822
158 3HZ LYS 24 3HZ LYS 24 -9.831 -3.110 -8.273
159 H TRP 25 H TRP 25 -3.157 -1.982 -2.430
160 HA TRP 25 HA TRP 25 -4.042 -0.502 0.004
161 1HB TRP 25 1HB TRP 25 -4.173 -2.441 1.264
162 2HB TRP 25 2HB TRP 25 -4.699 -3.044 -0.299
163 HD1 TRP 25 HD1 TRP 25 -2.213 -3.606 2.361
164 HE1 TRP 25 HE1 TRP 25 -0.502 -5.388 1.635
165 HE3 TRP 25 HE3 TRP 25 -3.259 -3.880 -2.633
166 HZ2 TRP 25 HZ2 TRP 25 0.317 -6.748 -0.727
167 HZ3 TRP 25 HZ3 TRP 25 -1.992 -5.430 -4.092
168 HH2 TRP 25 HH2 TRP 25 -0.207 -6.863 -3.147
169 H CYS 26 H CYS 26 -2.210 -0.670 1.742
170 HA CYS 26 HA CYS 26 0.211 0.405 0.557
171 1HB CYS 26 1HB CYS 26 -0.480 -0.450 3.386
172 2HB CYS 26 2HB CYS 26 0.886 0.569 2.935
173 H VAL 27 H VAL 27 2.059 -0.658 0.020
174 HA VAL 27 HA VAL 27 2.545 -3.400 1.132
175 HB VAL 27 HB VAL 27 3.074 -2.627 -1.745
176 1HG1 VAL 27 1HG1 VAL 27 3.326 -5.008 -0.084
177 2HG1 VAL 27 2HG1 VAL 27 2.343 -5.316 -1.515
178 3HG1 VAL 27 3HG1 VAL 27 3.983 -4.691 -1.690
179 1HG2 VAL 27 1HG2 VAL 27 0.494 -3.436 -0.441
180 2HG2 VAL 27 2HG2 VAL 27 0.768 -2.292 -1.755
181 3HG2 VAL 27 3HG2 VAL 27 0.850 -4.026 -2.065
182 H LEU 28 H LEU 28 4.865 -4.022 0.943
183 HA LEU 28 HA LEU 28 6.648 -1.821 1.617
184 1HB LEU 28 1HB LEU 28 6.638 -4.774 1.515
185 2HB LEU 28 2HB LEU 28 8.216 -4.048 1.210
186 HG LEU 28 HG LEU 28 6.466 -3.299 3.566
187 1HD1 LEU 28 1HD1 LEU 28 7.291 -5.735 3.495
188 2HD1 LEU 28 2HD1 LEU 28 8.916 -5.067 3.649
189 3HD1 LEU 28 3HD1 LEU 28 7.726 -4.793 4.921
190 1HD2 LEU 28 1HD2 LEU 28 9.310 -2.711 2.718
191 2HD2 LEU 28 2HD2 LEU 28 8.029 -1.561 3.105
192 3HD2 LEU 28 3HD2 LEU 28 8.777 -2.513 4.388
193 H ALA 29 H ALA 29 8.046 -0.741 0.255
194 HA ALA 29 HA ALA 29 7.869 -1.182 -2.633
195 1HB ALA 29 2HB ALA 29 9.633 0.635 -0.956
196 2HB ALA 29 3HB ALA 29 9.319 0.805 -2.684
197 3HB ALA 29 1HB ALA 29 8.013 1.042 -1.523
198 H GLY 30 H GLY 30 9.228 -2.479 -3.808
199 1HA GLY 30 1HA GLY 30 11.332 -3.416 -4.454
200 2HA GLY 30 2HA GLY 30 12.000 -2.942 -2.892
201 HA PRO 31 HA PRO 31 10.547 -7.472 -2.983
202 1HB PRO 31 1HB PRO 31 12.956 -8.714 -3.372
203 2HB PRO 31 2HB PRO 31 11.875 -8.262 -4.706
204 1HG PRO 31 2HG PRO 31 13.756 -7.119 -5.362
205 2HG PRO 31 1HG PRO 31 14.314 -6.883 -3.698
206 1HD PRO 31 1HD PRO 31 13.461 -4.778 -4.006
207 2HD PRO 31 2HD PRO 31 12.351 -5.311 -5.288
208 H TRP 32 H TRP 32 10.436 -8.297 -0.916
209 HA TRP 32 HA TRP 32 12.778 -7.916 0.915
210 1HB TRP 32 1HB TRP 32 9.911 -7.057 1.176
211 2HB TRP 32 2HB TRP 32 10.794 -7.511 2.633
212 HD1 TRP 32 HD1 TRP 32 10.149 -4.625 0.499
213 HE1 TRP 32 HE1 TRP 32 11.856 -2.743 0.933
214 HE3 TRP 32 HE3 TRP 32 13.648 -7.205 3.181
215 HZ2 TRP 32 HZ2 TRP 32 14.373 -2.379 2.244
216 HZ3 TRP 32 HZ3 TRP 32 15.688 -6.067 4.009
217 HH2 TRP 32 HH2 TRP 32 16.054 -3.659 3.544
No H/Q in entry = 217
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 6.724 4.710 4.997
2 H2 GLY 1 H2 GLY 1 6.099 6.164 4.377
3 H3 GLY 1 H3 GLY 1 7.440 6.188 5.420
4 1HA GLY 1 1HA GLY 1 6.127 5.441 7.258
5 2HA GLY 1 2HA GLY 1 5.364 6.856 6.534
6 H CYS 2 H CYS 2 4.228 4.484 8.037
7 HA CYS 2 HA CYS 2 2.264 3.184 7.961
8 1HB CYS 2 1HB CYS 2 1.671 4.760 5.443
9 2HB CYS 2 2HB CYS 2 0.515 4.082 6.586
10 H LEU 3 H LEU 3 4.640 2.117 6.663
11 HA LEU 3 HA LEU 3 3.619 0.776 4.211
12 1HB LEU 3 1HB LEU 3 5.908 1.863 4.423
13 2HB LEU 3 2HB LEU 3 6.324 0.595 5.577
14 HG LEU 3 HG LEU 3 5.140 -0.543 3.180
15 1HD1 LEU 3 1HD1 LEU 3 7.488 1.334 2.876
16 2HD1 LEU 3 2HD1 LEU 3 7.226 -0.015 1.770
17 3HD1 LEU 3 3HD1 LEU 3 6.016 1.261 1.907
18 1HD2 LEU 3 1HD2 LEU 3 7.860 -0.767 4.510
19 2HD2 LEU 3 2HD2 LEU 3 6.466 -1.805 4.807
20 3HD2 LEU 3 3HD2 LEU 3 7.272 -1.840 3.239
21 H GLY 4 H GLY 4 2.318 -0.962 4.761
22 1HA GLY 4 1HA GLY 4 2.970 -3.425 5.510
23 2HA GLY 4 2HA GLY 4 3.070 -2.648 7.090
24 H ASP 5 H ASP 5 0.789 -0.788 6.288
25 HA ASP 5 HA ASP 5 -1.372 -2.260 7.444
26 1HB ASP 5 1HB ASP 5 -0.771 0.364 6.583
27 2HB ASP 5 2HB ASP 5 -2.237 -0.099 5.721
28 H LYS 6 H LYS 6 -2.729 -3.729 6.522
29 HA LYS 6 HA LYS 6 -2.511 -4.338 3.650
30 1HB LYS 6 2HB LYS 6 -2.619 -6.033 5.515
31 2HB LYS 6 1HB LYS 6 -3.823 -6.287 4.253
32 1HG LYS 6 1HG LYS 6 -4.288 -4.933 6.930
33 2HG LYS 6 2HG LYS 6 -5.497 -5.083 5.655
34 1HD LYS 6 1HD LYS 6 -5.084 -7.605 5.750
35 2HD LYS 6 2HD LYS 6 -4.194 -7.302 7.243
36 1HE LYS 6 2HE LYS 6 -6.430 -5.921 7.831
37 2HE LYS 6 1HE LYS 6 -6.314 -7.666 8.130
38 1HZ LYS 6 1HZ LYS 6 -7.324 -6.387 5.634
39 2HZ LYS 6 2HZ LYS 6 -7.220 -8.059 5.918
40 3HZ LYS 6 3HZ LYS 6 -8.294 -7.105 6.825
41 H CYS 7 H CYS 7 -4.259 -4.212 2.155
42 HA CYS 7 HA CYS 7 -6.734 -2.806 3.044
43 1HB CYS 7 1HB CYS 7 -6.439 -1.177 1.205
44 2HB CYS 7 2HB CYS 7 -5.080 -1.114 2.323
45 H ASP 8 H ASP 8 -8.546 -3.480 1.908
46 HA ASP 8 HA ASP 8 -8.121 -5.600 -0.154
47 1HB ASP 8 2HB ASP 8 -9.392 -6.044 1.973
48 2HB ASP 8 1HB ASP 8 -10.333 -6.350 0.516
49 H TYR 9 H TYR 9 -9.775 -2.495 0.382
50 HA TYR 9 HA TYR 9 -10.059 -2.153 -2.541
51 1HB TYR 9 1HB TYR 9 -12.086 -3.342 -1.125
52 2HB TYR 9 2HB TYR 9 -12.556 -1.646 -1.037
53 HD1 TYR 9 HD1 TYR 9 -11.760 -4.441 -3.345
54 HD2 TYR 9 HD2 TYR 9 -13.298 -0.445 -2.985
55 HE1 TYR 9 HE1 TYR 9 -12.578 -4.546 -5.683
56 HE2 TYR 9 HE2 TYR 9 -14.116 -0.550 -5.324
57 HH TYR 9 HH TYR 9 -13.151 -2.305 -7.531
58 H ASN 10 H ASN 10 -11.327 -0.744 0.516
59 HA ASN 10 HA ASN 10 -10.082 1.866 -0.274
60 1HB ASN 10 1HB ASN 10 -12.697 1.359 -0.567
61 2HB ASN 10 2HB ASN 10 -12.715 1.781 1.147
62 2HD2 ASN 10 1HD2 ASN 10 -12.235 3.059 -2.103
63 1HD2 ASN 10 2HD2 ASN 10 -12.094 4.686 -1.641
64 H ASN 11 H ASN 11 -8.848 0.078 1.515
65 HA ASN 11 HA ASN 11 -9.497 0.338 4.272
66 1HB ASN 11 1HB ASN 11 -7.835 -1.208 3.198
67 2HB ASN 11 2HB ASN 11 -6.759 0.171 2.967
68 2HD2 ASN 11 1HD2 ASN 11 -8.406 -1.736 5.532
69 1HD2 ASN 11 2HD2 ASN 11 -7.292 -1.341 6.750
70 H GLY 12 H GLY 12 -7.242 2.323 2.294
71 1HA GLY 12 1HA GLY 12 -7.237 4.771 2.545
72 2HA GLY 12 2HA GLY 12 -7.674 4.549 4.238
73 H CYS 13 H CYS 13 -5.030 4.099 1.903
74 HA CYS 13 HA CYS 13 -3.043 3.516 3.988
75 1HB CYS 13 1HB CYS 13 -2.944 4.164 1.025
76 2HB CYS 13 2HB CYS 13 -1.503 3.802 1.973
77 H CYS 14 H CYS 14 -1.016 5.030 4.042
78 HA CYS 14 HA CYS 14 -1.825 7.672 4.874
79 1HB CYS 14 1HB CYS 14 0.625 6.040 4.641
80 2HB CYS 14 2HB CYS 14 0.903 7.776 4.502
81 H SER 15 H SER 15 -1.078 9.723 3.877
82 HA SER 15 HA SER 15 -1.751 9.990 1.127
83 1HB SER 15 1HB SER 15 -0.730 12.268 1.443
84 2HB SER 15 2HB SER 15 -1.846 11.821 2.729
85 HG SER 15 HG SER 15 -0.127 12.431 3.856
86 H GLY 16 H GLY 16 -0.605 9.326 -0.635
87 1HA GLY 16 1HA GLY 16 1.399 9.491 -2.024
88 2HA GLY 16 2HA GLY 16 2.371 9.508 -0.554
89 H TYR 17 H TYR 17 0.234 7.193 0.206
90 HA TYR 17 HA TYR 17 1.993 5.033 -0.865
91 1HB TYR 17 1HB TYR 17 0.503 5.609 1.616
92 2HB TYR 17 2HB TYR 17 0.389 3.933 1.080
93 HD1 TYR 17 HD1 TYR 17 3.052 6.589 1.146
94 HD2 TYR 17 HD2 TYR 17 1.976 2.524 2.011
95 HE1 TYR 17 HE1 TYR 17 5.348 6.157 1.970
96 HE2 TYR 17 HE2 TYR 17 4.271 2.091 2.833
97 HH TYR 17 HH TYR 17 6.762 3.526 2.178
98 H VAL 18 H VAL 18 1.074 3.202 -1.882
99 HA VAL 18 HA VAL 18 -1.820 3.430 -2.659
100 HB VAL 18 HB VAL 18 -1.081 2.511 -4.858
101 1HG1 VAL 18 1HG1 VAL 18 -1.181 4.994 -4.365
102 2HG1 VAL 18 2HG1 VAL 18 0.560 4.938 -4.091
103 3HG1 VAL 18 3HG1 VAL 18 -0.095 4.545 -5.680
104 1HG2 VAL 18 1HG2 VAL 18 0.968 1.362 -3.876
105 2HG2 VAL 18 2HG2 VAL 18 1.253 2.239 -5.379
106 3HG2 VAL 18 3HG2 VAL 18 1.742 2.947 -3.840
107 H CYS 19 H CYS 19 -2.653 1.201 -3.461
108 HA CYS 19 HA CYS 19 -1.855 -0.855 -1.467
109 1HB CYS 19 1HB CYS 19 -4.203 -0.262 -3.240
110 2HB CYS 19 2HB CYS 19 -3.989 -1.906 -2.639
111 H SER 20 H SER 20 -0.461 -2.460 -2.076
112 HA SER 20 HA SER 20 0.130 -2.905 -4.945
113 1HB SER 20 1HB SER 20 1.353 -3.405 -2.313
114 2HB SER 20 2HB SER 20 1.615 -4.699 -3.479
115 HG SER 20 HG SER 20 2.914 -3.432 -4.528
116 H ARG 21 H ARG 21 0.255 -5.201 -5.746
117 HA ARG 21 HA ARG 21 -2.212 -6.675 -5.027
118 1HB ARG 21 1HB ARG 21 -0.131 -6.917 -7.219
119 2HB ARG 21 2HB ARG 21 -1.555 -7.951 -7.104
120 1HG ARG 21 1HG ARG 21 -2.733 -5.520 -6.883
121 2HG ARG 21 2HG ARG 21 -1.348 -5.093 -7.889
122 1HD ARG 21 1HD ARG 21 -3.227 -7.399 -8.517
123 2HD ARG 21 2HD ARG 21 -3.370 -5.780 -9.229
124 HE ARG 21 HE ARG 21 -0.810 -7.314 -9.459
125 1HH1 ARG 21 1HH1 ARG 21 -0.350 -4.975 -10.834
126 2HH1 ARG 21 2HH1 ARG 21 -1.050 -5.163 -12.407
127 1HH2 ARG 21 1HH2 ARG 21 -3.071 -7.835 -11.475
128 2HH2 ARG 21 2HH2 ARG 21 -2.597 -6.788 -12.771
129 H THR 22 H THR 22 1.308 -7.084 -4.836
130 HA THR 22 HA THR 22 1.524 -9.863 -4.416
131 HB THR 22 HB THR 22 3.089 -7.641 -3.060
132 HG1 THR 22 HG1 THR 22 3.674 -7.146 -4.995
133 1HG2 THR 22 1HG2 THR 22 3.508 -10.011 -2.310
134 2HG2 THR 22 2HG2 THR 22 3.982 -10.387 -3.966
135 3HG2 THR 22 3HG2 THR 22 4.911 -9.219 -3.026
136 H TRP 23 H TRP 23 1.799 -7.595 -1.646
137 HA TRP 23 HA TRP 23 0.526 -9.669 0.078
138 1HB TRP 23 1HB TRP 23 1.953 -7.110 0.863
139 2HB TRP 23 2HB TRP 23 1.623 -8.501 1.889
140 HD1 TRP 23 HD1 TRP 23 4.380 -7.021 0.178
141 HE1 TRP 23 HE1 TRP 23 6.202 -8.746 -0.423
142 HE3 TRP 23 HE3 TRP 23 1.744 -11.353 0.813
143 HZ2 TRP 23 HZ2 TRP 23 6.501 -11.589 -0.606
144 HZ3 TRP 23 HZ3 TRP 23 2.819 -13.550 0.422
145 HH2 TRP 23 HH2 TRP 23 5.191 -13.675 -0.285
146 H LYS 24 H LYS 24 -0.606 -7.125 -1.693
147 HA LYS 24 HA LYS 24 -2.465 -5.684 -1.505
148 1HB LYS 24 1HB LYS 24 -2.978 -8.214 -0.125
149 2HB LYS 24 2HB LYS 24 -3.970 -6.901 0.509
150 1HG LYS 24 1HG LYS 24 -5.323 -7.145 -1.271
151 2HG LYS 24 2HG LYS 24 -4.000 -6.581 -2.291
152 1HD LYS 24 2HD LYS 24 -3.145 -8.975 -2.313
153 2HD LYS 24 1HD LYS 24 -4.668 -8.715 -3.162
154 1HE LYS 24 2HE LYS 24 -4.683 -9.515 -0.249
155 2HE LYS 24 1HE LYS 24 -4.506 -10.743 -1.517
156 1HZ LYS 24 1HZ LYS 24 -6.476 -9.733 -2.611
157 2HZ LYS 24 2HZ LYS 24 -6.835 -10.395 -1.088
158 3HZ LYS 24 3HZ LYS 24 -6.676 -8.716 -1.263
159 H TRP 25 H TRP 25 -0.478 -4.432 -0.284
160 HA TRP 25 HA TRP 25 -1.694 -3.394 2.230
161 1HB TRP 25 2HB TRP 25 0.181 -5.230 2.441
162 2HB TRP 25 1HB TRP 25 0.210 -3.828 3.502
163 HD1 TRP 25 HD1 TRP 25 2.340 -2.481 3.557
164 HE1 TRP 25 HE1 TRP 25 4.483 -2.357 2.141
165 HE3 TRP 25 HE3 TRP 25 1.045 -5.568 -0.305
166 HZ2 TRP 25 HZ2 TRP 25 5.518 -3.409 -0.296
167 HZ3 TRP 25 HZ3 TRP 25 2.634 -5.983 -2.158
168 HH2 TRP 25 HH2 TRP 25 4.866 -4.912 -2.157
169 H CYS 26 H CYS 26 -0.366 -1.336 2.928
170 HA CYS 26 HA CYS 26 -0.434 0.517 0.685
171 1HB CYS 26 1HB CYS 26 0.500 0.840 3.560
172 2HB CYS 26 2HB CYS 26 0.097 2.156 2.460
173 H VAL 27 H VAL 27 1.258 1.046 -0.620
174 HA VAL 27 HA VAL 27 4.056 0.550 0.357
175 HB VAL 27 HB VAL 27 3.205 0.293 -2.526
176 1HG1 VAL 27 1HG1 VAL 27 5.410 -0.846 -0.794
177 2HG1 VAL 27 2HG1 VAL 27 5.089 -1.416 -2.432
178 3HG1 VAL 27 3HG1 VAL 27 5.572 0.258 -2.159
179 1HG2 VAL 27 1HG2 VAL 27 2.649 -1.602 -0.274
180 2HG2 VAL 27 2HG2 VAL 27 1.709 -1.289 -1.733
181 3HG2 VAL 27 3HG2 VAL 27 3.165 -2.279 -1.818
182 H LEU 28 H LEU 28 5.668 1.984 -0.696
183 HA LEU 28 HA LEU 28 4.823 4.732 -0.864
184 1HB LEU 28 1HB LEU 28 7.189 3.265 -0.624
185 2HB LEU 28 2HB LEU 28 7.358 4.084 -2.176
186 HG LEU 28 HG LEU 28 6.388 5.620 0.220
187 1HD1 LEU 28 1HD1 LEU 28 9.236 4.837 -0.431
188 2HD1 LEU 28 2HD1 LEU 28 8.845 6.256 0.540
189 3HD1 LEU 28 3HD1 LEU 28 8.383 4.650 1.101
190 1HD2 LEU 28 1HD2 LEU 28 7.917 6.269 -2.318
191 2HD2 LEU 28 2HD2 LEU 28 6.268 6.749 -1.914
192 3HD2 LEU 28 3HD2 LEU 28 7.629 7.438 -1.029
193 H ALA 29 H ALA 29 4.423 6.031 -2.676
194 HA ALA 29 HA ALA 29 3.455 4.824 -5.092
195 1HB ALA 29 1HB ALA 29 4.233 7.631 -4.273
196 2HB ALA 29 2HB ALA 29 3.512 7.273 -5.843
197 3HB ALA 29 3HB ALA 29 2.613 6.941 -4.363
198 H GLY 30 H GLY 30 6.640 6.027 -4.176
199 1HA GLY 30 1HA GLY 30 7.735 6.311 -6.813
200 2HA GLY 30 2HA GLY 30 8.675 6.077 -5.340
201 HA PRO 31 HA PRO 31 8.576 2.193 -8.043
202 1HB PRO 31 1HB PRO 31 11.135 2.307 -9.009
203 2HB PRO 31 2HB PRO 31 9.747 3.025 -9.852
204 1HG PRO 31 2HG PRO 31 11.046 4.906 -9.646
205 2HG PRO 31 1HG PRO 31 11.814 4.334 -8.157
206 1HD PRO 31 1HD PRO 31 10.345 5.780 -7.162
207 2HD PRO 31 2HD PRO 31 9.227 5.743 -8.542
208 H TRP 32 H TRP 32 9.203 0.303 -7.019
209 HA TRP 32 HA TRP 32 11.503 0.415 -5.101
210 1HB TRP 32 1HB TRP 32 9.063 0.674 -4.186
211 2HB TRP 32 2HB TRP 32 8.939 -1.055 -4.507
212 HD1 TRP 32 HD1 TRP 32 9.569 -2.487 -2.516
213 HE1 TRP 32 HE1 TRP 32 11.149 -2.259 -0.492
214 HE3 TRP 32 HE3 TRP 32 11.580 2.107 -3.480
215 HZ2 TRP 32 HZ2 TRP 32 13.019 -0.377 0.577
216 HZ3 TRP 32 HZ3 TRP 32 13.256 3.093 -1.943
217 HH2 TRP 32 HH2 TRP 32 13.977 1.858 0.082
No H/Q in entry = 217
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 2.499 10.279 6.258
2 H2 GLY 1 H2 GLY 1 3.688 11.220 5.498
3 H3 GLY 1 H3 GLY 1 2.099 11.217 4.897
4 1HA GLY 1 1HA GLY 1 3.499 9.869 3.490
5 2HA GLY 1 2HA GLY 1 3.981 8.917 4.894
6 H CYS 2 H CYS 2 2.560 8.020 2.459
7 HA CYS 2 HA CYS 2 -0.122 7.281 3.553
8 1HB CYS 2 1HB CYS 2 1.157 7.242 0.808
9 2HB CYS 2 2HB CYS 2 -0.431 6.548 1.131
10 H LEU 3 H LEU 3 2.935 6.012 3.697
11 HA LEU 3 HA LEU 3 2.551 3.294 2.809
12 1HB LEU 3 1HB LEU 3 4.752 4.330 3.167
13 2HB LEU 3 2HB LEU 3 4.397 4.533 4.883
14 HG LEU 3 HG LEU 3 3.920 1.794 4.193
15 1HD1 LEU 3 1HD1 LEU 3 6.341 3.032 2.968
16 2HD1 LEU 3 2HD1 LEU 3 6.543 1.464 3.750
17 3HD1 LEU 3 3HD1 LEU 3 5.389 1.648 2.428
18 1HD2 LEU 3 1HD2 LEU 3 5.165 3.368 6.208
19 2HD2 LEU 3 2HD2 LEU 3 4.788 1.647 6.267
20 3HD2 LEU 3 3HD2 LEU 3 6.358 2.186 5.672
21 H GLY 4 H GLY 4 1.004 1.991 3.685
22 1HA GLY 4 1HA GLY 4 0.581 0.618 5.778
23 2HA GLY 4 2HA GLY 4 0.520 2.157 6.635
24 H ASP 5 H ASP 5 -0.893 3.248 4.062
25 HA ASP 5 HA ASP 5 -3.564 3.205 5.002
26 1HB ASP 5 1HB ASP 5 -2.205 3.717 2.360
27 2HB ASP 5 2HB ASP 5 -3.964 3.777 2.467
28 H LYS 6 H LYS 6 -4.848 1.408 5.197
29 HA LYS 6 HA LYS 6 -4.354 -1.093 3.866
30 1HB LYS 6 1HB LYS 6 -6.138 0.057 5.826
31 2HB LYS 6 2HB LYS 6 -7.054 -0.959 4.711
32 1HG LYS 6 1HG LYS 6 -5.157 -2.693 5.057
33 2HG LYS 6 2HG LYS 6 -4.726 -1.726 6.468
34 1HD LYS 6 1HD LYS 6 -7.383 -1.937 6.885
35 2HD LYS 6 2HD LYS 6 -7.112 -3.441 6.003
36 1HE LYS 6 2HE LYS 6 -5.027 -3.598 7.699
37 2HE LYS 6 1HE LYS 6 -6.641 -4.171 8.162
38 1HZ LYS 6 1HZ LYS 6 -5.578 -1.420 8.602
39 2HZ LYS 6 2HZ LYS 6 -7.115 -1.974 9.062
40 3HZ LYS 6 3HZ LYS 6 -5.726 -2.614 9.801
41 H CYS 7 H CYS 7 -5.194 -1.934 1.980
42 HA CYS 7 HA CYS 7 -7.160 -0.259 0.454
43 1HB CYS 7 1HB CYS 7 -5.814 -1.008 -1.570
44 2HB CYS 7 2HB CYS 7 -4.959 0.076 -0.475
45 H ASP 8 H ASP 8 -9.009 -1.453 0.239
46 HA ASP 8 HA ASP 8 -8.924 -4.166 -0.856
47 1HB ASP 8 1HB ASP 8 -8.693 -3.820 1.922
48 2HB ASP 8 2HB ASP 8 -10.379 -4.272 1.667
49 H TYR 9 H TYR 9 -11.127 -2.184 1.189
50 HA TYR 9 HA TYR 9 -13.443 -2.884 -0.458
51 1HB TYR 9 1HB TYR 9 -13.235 -2.381 2.089
52 2HB TYR 9 2HB TYR 9 -13.267 -0.685 1.605
53 HD1 TYR 9 HD1 TYR 9 -15.126 -3.899 1.031
54 HD2 TYR 9 HD2 TYR 9 -15.327 0.382 1.337
55 HE1 TYR 9 HE1 TYR 9 -17.595 -3.999 0.814
56 HE2 TYR 9 HE2 TYR 9 -17.795 0.281 1.121
57 HH TYR 9 HH TYR 9 -19.601 -2.035 1.710
58 H ASN 10 H ASN 10 -11.490 0.071 0.099
59 HA ASN 10 HA ASN 10 -12.935 1.462 -2.101
60 1HB ASN 10 1HB ASN 10 -12.558 2.592 0.060
61 2HB ASN 10 2HB ASN 10 -10.818 2.352 -0.112
62 2HD2 ASN 10 1HD2 ASN 10 -13.609 4.098 -1.503
63 1HD2 ASN 10 2HD2 ASN 10 -12.681 5.265 -2.314
64 H ASN 11 H ASN 11 -9.707 0.229 -1.251
65 HA ASN 11 HA ASN 11 -7.776 -0.103 -2.556
66 1HB ASN 11 1HB ASN 11 -10.174 -0.664 -4.133
67 2HB ASN 11 2HB ASN 11 -8.813 -0.210 -5.155
68 2HD2 ASN 11 1HD2 ASN 11 -9.813 -2.883 -5.178
69 1HD2 ASN 11 2HD2 ASN 11 -8.644 -3.906 -4.494
70 H GLY 12 H GLY 12 -7.491 2.350 -1.928
71 1HA GLY 12 1HA GLY 12 -6.946 3.824 -4.454
72 2HA GLY 12 2HA GLY 12 -7.877 4.642 -3.198
73 H CYS 13 H CYS 13 -4.728 3.234 -3.958
74 HA CYS 13 HA CYS 13 -3.492 4.115 -1.450
75 1HB CYS 13 1HB CYS 13 -2.462 3.007 -4.079
76 2HB CYS 13 2HB CYS 13 -1.420 3.345 -2.697
77 H CYS 14 H CYS 14 -1.477 5.567 -1.607
78 HA CYS 14 HA CYS 14 -2.215 8.106 -2.866
79 1HB CYS 14 1HB CYS 14 -0.149 7.016 -1.008
80 2HB CYS 14 2HB CYS 14 0.273 8.492 -1.875
81 H SER 15 H SER 15 -0.250 9.290 -4.035
82 HA SER 15 HA SER 15 0.253 7.947 -6.524
83 1HB SER 15 1HB SER 15 1.411 10.379 -5.138
84 2HB SER 15 2HB SER 15 1.872 9.920 -6.774
85 HG SER 15 HG SER 15 -0.556 10.884 -5.780
86 H GLY 16 H GLY 16 1.850 6.495 -7.038
87 1HA GLY 16 1HA GLY 16 3.959 5.427 -6.986
88 2HA GLY 16 2HA GLY 16 4.465 6.557 -5.731
89 H TYR 17 H TYR 17 1.458 4.943 -5.155
90 HA TYR 17 HA TYR 17 2.828 3.013 -3.314
91 1HB TYR 17 1HB TYR 17 0.634 5.014 -2.933
92 2HB TYR 17 2HB TYR 17 0.522 3.505 -2.032
93 HD1 TYR 17 HD1 TYR 17 2.444 2.806 -0.547
94 HD2 TYR 17 HD2 TYR 17 2.200 6.706 -2.324
95 HE1 TYR 17 HE1 TYR 17 4.114 3.648 1.076
96 HE2 TYR 17 HE2 TYR 17 3.872 7.551 -0.702
97 HH TYR 17 HH TYR 17 5.911 5.901 0.867
98 H VAL 18 H VAL 18 2.151 0.902 -3.584
99 HA VAL 18 HA VAL 18 -0.292 0.439 -5.266
100 HB VAL 18 HB VAL 18 0.882 -1.551 -6.086
101 1HG1 VAL 18 1HG1 VAL 18 1.339 0.729 -7.091
102 2HG1 VAL 18 2HG1 VAL 18 2.812 0.783 -6.121
103 3HG1 VAL 18 3HG1 VAL 18 2.612 -0.464 -7.353
104 1HG2 VAL 18 1HG2 VAL 18 3.095 -0.699 -4.186
105 2HG2 VAL 18 2HG2 VAL 18 2.096 -2.145 -4.031
106 3HG2 VAL 18 3HG2 VAL 18 3.223 -1.992 -5.378
107 H CYS 19 H CYS 19 -1.731 -1.193 -4.605
108 HA CYS 19 HA CYS 19 -1.938 -1.732 -1.785
109 1HB CYS 19 1HB CYS 19 -3.779 -1.589 -3.508
110 2HB CYS 19 2HB CYS 19 -3.247 -3.151 -4.130
111 H SER 20 H SER 20 -0.687 -3.186 -0.681
112 HA SER 20 HA SER 20 0.932 -5.201 -2.018
113 1HB SER 20 1HB SER 20 1.117 -3.816 0.272
114 2HB SER 20 2HB SER 20 0.356 -5.268 0.912
115 HG SER 20 HG SER 20 2.887 -4.876 -0.119
116 H ARG 21 H ARG 21 0.409 -7.319 -2.401
117 HA ARG 21 HA ARG 21 -2.282 -8.303 -1.735
118 1HB ARG 21 1HB ARG 21 -0.043 -8.923 -3.518
119 2HB ARG 21 2HB ARG 21 -0.738 -10.377 -2.803
120 1HG ARG 21 1HG ARG 21 -2.412 -10.248 -4.302
121 2HG ARG 21 2HG ARG 21 -2.937 -8.757 -3.521
122 1HD ARG 21 1HD ARG 21 -1.085 -7.617 -4.983
123 2HD ARG 21 2HD ARG 21 -1.198 -9.093 -5.963
124 HE ARG 21 HE ARG 21 -3.803 -7.934 -5.288
125 1HH1 ARG 21 1HH1 ARG 21 -3.199 -9.495 -7.794
126 2HH1 ARG 21 2HH1 ARG 21 -3.201 -8.250 -8.998
127 1HH2 ARG 21 1HH2 ARG 21 -2.918 -5.661 -6.703
128 2HH2 ARG 21 2HH2 ARG 21 -3.042 -6.077 -8.380
129 H THR 22 H THR 22 0.849 -8.359 -0.275
130 HA THR 22 HA THR 22 0.239 -10.779 1.356
131 HB THR 22 HB THR 22 2.717 -9.048 1.026
132 HG1 THR 22 HG1 THR 22 2.723 -10.170 -0.758
133 1HG2 THR 22 1HG2 THR 22 2.012 -11.021 2.999
134 2HG2 THR 22 2HG2 THR 22 3.336 -11.629 2.005
135 3HG2 THR 22 3HG2 THR 22 3.502 -10.090 2.850
136 H TRP 23 H TRP 23 1.146 -7.325 1.731
137 HA TRP 23 HA TRP 23 0.608 -7.445 4.642
138 1HB TRP 23 2HB TRP 23 1.608 -5.263 4.650
139 2HB TRP 23 1HB TRP 23 1.392 -5.083 2.916
140 HD1 TRP 23 HD1 TRP 23 3.785 -4.994 2.042
141 HE1 TRP 23 HE1 TRP 23 5.834 -6.556 2.169
142 HE3 TRP 23 HE3 TRP 23 2.077 -8.430 5.424
143 HZ2 TRP 23 HZ2 TRP 23 6.642 -8.944 3.527
144 HZ3 TRP 23 HZ3 TRP 23 3.508 -10.331 6.116
145 HH2 TRP 23 HH2 TRP 23 5.786 -10.592 5.174
146 H LYS 24 H LYS 24 -1.074 -6.555 1.739
147 HA LYS 24 HA LYS 24 -3.263 -5.772 1.415
148 1HB LYS 24 1HB LYS 24 -3.184 -7.011 3.927
149 2HB LYS 24 2HB LYS 24 -3.999 -5.473 4.211
150 1HG LYS 24 1HG LYS 24 -5.760 -5.986 2.812
151 2HG LYS 24 2HG LYS 24 -4.786 -7.053 1.801
152 1HD LYS 24 2HD LYS 24 -4.690 -8.365 4.202
153 2HD LYS 24 1HD LYS 24 -5.849 -8.722 2.922
154 1HE LYS 24 2HE LYS 24 -6.588 -6.486 4.746
155 2HE LYS 24 1HE LYS 24 -6.619 -8.115 5.449
156 1HZ LYS 24 1HZ LYS 24 -7.888 -7.301 2.878
157 2HZ LYS 24 2HZ LYS 24 -7.931 -8.859 3.556
158 3HZ LYS 24 3HZ LYS 24 -8.718 -7.569 4.333
159 H TRP 25 H TRP 25 -0.834 -3.908 2.468
160 HA TRP 25 HA TRP 25 -2.620 -1.523 2.772
161 1HB TRP 25 1HB TRP 25 -1.374 -0.771 4.566
162 2HB TRP 25 2HB TRP 25 -1.143 -2.499 4.776
163 HD1 TRP 25 HD1 TRP 25 0.665 0.232 2.684
164 HE1 TRP 25 HE1 TRP 25 3.199 -0.075 2.998
165 HE3 TRP 25 HE3 TRP 25 0.673 -3.731 5.887
166 HZ2 TRP 25 HZ2 TRP 25 4.998 -1.765 4.433
167 HZ3 TRP 25 HZ3 TRP 25 2.812 -4.663 6.716
168 HH2 TRP 25 HH2 TRP 25 4.971 -3.688 6.000
169 H CYS 26 H CYS 26 -1.652 0.500 1.903
170 HA CYS 26 HA CYS 26 -0.507 0.091 -0.722
171 1HB CYS 26 1HB CYS 26 -0.895 2.571 0.984
172 2HB CYS 26 2HB CYS 26 -0.562 2.575 -0.748
173 H VAL 27 H VAL 27 1.615 -0.564 -0.888
174 HA VAL 27 HA VAL 27 3.652 0.700 0.910
175 HB VAL 27 HB VAL 27 4.288 -1.606 -0.891
176 1HG1 VAL 27 1HG1 VAL 27 4.928 -0.830 1.968
177 2HG1 VAL 27 2HG1 VAL 27 5.478 -2.327 1.215
178 3HG1 VAL 27 3HG1 VAL 27 6.013 -0.771 0.579
179 1HG2 VAL 27 1HG2 VAL 27 2.300 -1.690 1.363
180 2HG2 VAL 27 2HG2 VAL 27 2.283 -2.559 -0.171
181 3HG2 VAL 27 3HG2 VAL 27 3.379 -3.063 1.116
182 H LEU 28 H LEU 28 5.789 1.191 -0.187
183 HA LEU 28 HA LEU 28 5.444 2.922 -2.445
184 1HB LEU 28 1HB LEU 28 7.281 2.636 -0.524
185 2HB LEU 28 2HB LEU 28 8.099 1.708 -1.781
186 HG LEU 28 HG LEU 28 7.332 3.868 -3.227
187 1HD1 LEU 28 1HD1 LEU 28 6.603 4.685 -0.737
188 2HD1 LEU 28 2HD1 LEU 28 8.263 5.279 -0.790
189 3HD1 LEU 28 3HD1 LEU 28 7.103 5.792 -2.016
190 1HD2 LEU 28 1HD2 LEU 28 9.622 2.867 -2.982
191 2HD2 LEU 28 2HD2 LEU 28 9.638 4.630 -3.018
192 3HD2 LEU 28 3HD2 LEU 28 9.818 3.778 -1.484
193 H ALA 29 H ALA 29 6.027 2.621 -4.647
194 HA ALA 29 HA ALA 29 5.889 -0.164 -5.617
195 1HB ALA 29 3HB ALA 29 5.041 0.836 -7.481
196 2HB ALA 29 2HB ALA 29 6.295 2.077 -7.502
197 3HB ALA 29 1HB ALA 29 4.898 2.252 -6.439
198 H GLY 30 H GLY 30 8.441 1.325 -4.363
199 1HA GLY 30 1HA GLY 30 10.344 1.046 -6.590
200 2HA GLY 30 2HA GLY 30 10.736 1.546 -4.944
201 HA PRO 31 HA PRO 31 11.832 -2.961 -5.624
202 1HB PRO 31 1HB PRO 31 14.539 -2.720 -5.284
203 2HB PRO 31 2HB PRO 31 13.742 -2.577 -6.864
204 1HG PRO 31 2HG PRO 31 14.781 -0.533 -6.817
205 2HG PRO 31 1HG PRO 31 14.738 -0.442 -5.050
206 1HD PRO 31 1HD PRO 31 12.972 0.964 -5.421
207 2HD PRO 31 2HD PRO 31 12.664 0.301 -7.040
208 H TRP 32 H TRP 32 12.755 -4.384 -3.908
209 HA TRP 32 HA TRP 32 13.092 -5.011 -1.660
210 1HB TRP 32 1HB TRP 32 14.560 -2.680 -2.131
211 2HB TRP 32 2HB TRP 32 13.667 -2.326 -0.651
212 HD1 TRP 32 HD1 TRP 32 13.853 -4.300 1.309
213 HE1 TRP 32 HE1 TRP 32 15.913 -5.701 1.970
214 HE3 TRP 32 HE3 TRP 32 16.703 -3.706 -2.882
215 HZ2 TRP 32 HZ2 TRP 32 18.437 -6.469 0.866
216 HZ3 TRP 32 HZ3 TRP 32 18.929 -4.780 -3.052
217 HH2 TRP 32 HH2 TRP 32 19.799 -6.160 -1.185
No H/Q in entry = 217
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -0.841 8.168 9.211
2 H2 GLY 1 H2 GLY 1 -2.381 8.037 9.908
3 H3 GLY 1 H3 GLY 1 -0.996 7.817 10.866
4 1HA GLY 1 1HA GLY 1 -0.418 5.822 9.656
5 2HA GLY 1 2HA GLY 1 -2.041 5.695 10.334
6 H CYS 2 H CYS 2 -0.190 5.722 7.435
7 HA CYS 2 HA CYS 2 -2.556 6.070 5.682
8 1HB CYS 2 1HB CYS 2 -0.824 5.946 3.904
9 2HB CYS 2 2HB CYS 2 -0.411 7.137 5.136
10 H LEU 3 H LEU 3 -1.438 3.505 7.454
11 HA LEU 3 HA LEU 3 -1.407 1.390 5.452
12 1HB LEU 3 1HB LEU 3 -0.279 1.349 7.695
13 2HB LEU 3 2HB LEU 3 -1.869 1.288 8.453
14 HG LEU 3 HG LEU 3 -2.229 -0.769 6.833
15 1HD1 LEU 3 1HD1 LEU 3 -0.080 -0.439 5.642
16 2HD1 LEU 3 2HD1 LEU 3 0.787 -0.700 7.155
17 3HD1 LEU 3 3HD1 LEU 3 -0.146 -2.012 6.436
18 1HD2 LEU 3 1HD2 LEU 3 -1.707 -0.491 9.498
19 2HD2 LEU 3 2HD2 LEU 3 -2.002 -2.044 8.715
20 3HD2 LEU 3 3HD2 LEU 3 -0.349 -1.502 9.002
21 H GLY 4 H GLY 4 -3.208 0.568 4.468
22 1HA GLY 4 1HA GLY 4 -5.401 -0.537 4.713
23 2HA GLY 4 2HA GLY 4 -5.800 0.650 5.954
24 H ASP 5 H ASP 5 -4.342 2.647 3.951
25 HA ASP 5 HA ASP 5 -6.794 3.652 2.758
26 1HB ASP 5 1HB ASP 5 -3.846 4.309 2.630
27 2HB ASP 5 2HB ASP 5 -5.010 5.174 1.625
28 H LYS 6 H LYS 6 -7.505 3.392 0.632
29 HA LYS 6 HA LYS 6 -6.739 1.123 -0.879
30 1HB LYS 6 2HB LYS 6 -8.883 2.417 -1.012
31 2HB LYS 6 1HB LYS 6 -8.179 2.098 -2.595
32 1HG LYS 6 2HG LYS 6 -7.217 4.600 -1.395
33 2HG LYS 6 1HG LYS 6 -8.960 4.586 -1.657
34 1HD LYS 6 1HD LYS 6 -6.734 4.424 -3.649
35 2HD LYS 6 2HD LYS 6 -8.229 3.561 -4.011
36 1HE LYS 6 1HE LYS 6 -8.454 6.392 -3.047
37 2HE LYS 6 2HE LYS 6 -7.942 6.112 -4.723
38 1HZ LYS 6 1HZ LYS 6 -9.835 4.624 -5.012
39 2HZ LYS 6 2HZ LYS 6 -10.339 4.927 -3.417
40 3HZ LYS 6 3HZ LYS 6 -10.356 6.176 -4.569
41 H CYS 7 H CYS 7 -5.259 0.798 -2.533
42 HA CYS 7 HA CYS 7 -3.597 3.144 -3.394
43 1HB CYS 7 1HB CYS 7 -2.445 1.845 -1.659
44 2HB CYS 7 2HB CYS 7 -2.713 0.358 -2.568
45 H ASP 8 H ASP 8 -2.961 3.096 -5.567
46 HA ASP 8 HA ASP 8 -3.973 0.796 -7.214
47 1HB ASP 8 1HB ASP 8 -5.344 2.833 -7.416
48 2HB ASP 8 2HB ASP 8 -3.905 3.780 -7.791
49 H TYR 9 H TYR 9 -1.879 3.673 -7.729
50 HA TYR 9 HA TYR 9 0.470 1.971 -8.264
51 1HB TYR 9 1HB TYR 9 -1.326 3.061 -10.331
52 2HB TYR 9 2HB TYR 9 0.371 3.457 -10.594
53 HD1 TYR 9 HD1 TYR 9 2.045 1.406 -10.143
54 HD2 TYR 9 HD2 TYR 9 -2.108 1.035 -11.179
55 HE1 TYR 9 HE1 TYR 9 2.457 -0.896 -10.965
56 HE2 TYR 9 HE2 TYR 9 -1.696 -1.268 -12.002
57 HH TYR 9 HH TYR 9 1.046 -2.449 -12.862
58 H ASN 10 H ASN 10 -0.747 5.262 -9.049
59 HA ASN 10 HA ASN 10 1.803 6.393 -7.967
60 1HB ASN 10 1HB ASN 10 -0.181 7.076 -10.085
61 2HB ASN 10 2HB ASN 10 0.602 8.430 -9.270
62 2HD2 ASN 10 1HD2 ASN 10 2.714 8.948 -9.944
63 1HD2 ASN 10 2HD2 ASN 10 3.661 7.968 -10.956
64 H ASN 11 H ASN 11 -0.087 5.572 -6.028
65 HA ASN 11 HA ASN 11 -1.817 7.790 -5.234
66 1HB ASN 11 1HB ASN 11 -0.981 5.106 -4.223
67 2HB ASN 11 2HB ASN 11 -1.641 6.237 -3.043
68 2HD2 ASN 11 1HD2 ASN 11 -3.898 6.324 -2.926
69 1HD2 ASN 11 2HD2 ASN 11 -4.951 5.746 -4.126
70 H GLY 12 H GLY 12 1.305 6.475 -4.050
71 1HA GLY 12 1HA GLY 12 3.100 7.740 -3.119
72 2HA GLY 12 2HA GLY 12 2.045 9.154 -3.066
73 H CYS 13 H CYS 13 2.532 5.973 -1.517
74 HA CYS 13 HA CYS 13 0.981 6.827 0.857
75 1HB CYS 13 1HB CYS 13 2.360 4.305 -0.087
76 2HB CYS 13 2HB CYS 13 1.698 4.433 1.543
77 H CYS 14 H CYS 14 2.363 5.710 2.950
78 HA CYS 14 HA CYS 14 4.361 7.665 3.587
79 1HB CYS 14 1HB CYS 14 3.800 4.924 4.768
80 2HB CYS 14 2HB CYS 14 4.708 6.208 5.563
81 H SER 15 H SER 15 6.678 7.173 4.072
82 HA SER 15 HA SER 15 8.025 5.924 1.850
83 1HB SER 15 1HB SER 15 8.787 7.045 4.541
84 2HB SER 15 2HB SER 15 10.000 6.243 3.548
85 HG SER 15 HG SER 15 8.568 8.611 3.096
86 H GLY 16 H GLY 16 8.082 3.739 1.551
87 1HA GLY 16 1HA GLY 16 9.010 1.583 2.233
88 2HA GLY 16 2HA GLY 16 8.655 2.003 3.908
89 H TYR 17 H TYR 17 6.125 2.835 1.726
90 HA TYR 17 HA TYR 17 4.545 0.486 2.700
91 1HB TYR 17 1HB TYR 17 4.046 3.358 2.156
92 2HB TYR 17 2HB TYR 17 2.744 2.267 1.687
93 HD1 TYR 17 HD1 TYR 17 5.121 2.813 4.546
94 HD2 TYR 17 HD2 TYR 17 1.168 1.684 3.297
95 HE1 TYR 17 HE1 TYR 17 4.430 2.607 6.918
96 HE2 TYR 17 HE2 TYR 17 0.479 1.481 5.668
97 HH TYR 17 HH TYR 17 2.095 0.991 8.018
98 H VAL 18 H VAL 18 4.184 -1.081 1.196
99 HA VAL 18 HA VAL 18 4.599 -0.501 -1.682
100 HB VAL 18 HB VAL 18 3.865 -3.104 -0.312
101 1HG1 VAL 18 1HG1 VAL 18 5.059 -2.325 -2.965
102 2HG1 VAL 18 2HG1 VAL 18 5.351 -3.926 -2.283
103 3HG1 VAL 18 3HG1 VAL 18 3.703 -3.405 -2.638
104 1HG2 VAL 18 1HG2 VAL 18 6.515 -1.680 -0.561
105 2HG2 VAL 18 2HG2 VAL 18 5.814 -2.460 0.858
106 3HG2 VAL 18 3HG2 VAL 18 6.446 -3.440 -0.466
107 H CYS 19 H CYS 19 2.952 -1.319 -3.254
108 HA CYS 19 HA CYS 19 0.197 -0.654 -2.345
109 1HB CYS 19 1HB CYS 19 1.511 0.289 -4.401
110 2HB CYS 19 2HB CYS 19 1.098 -1.246 -5.165
111 H SER 20 H SER 20 -0.990 -2.412 -1.659
112 HA SER 20 HA SER 20 -0.378 -5.118 -2.693
113 1HB SER 20 1HB SER 20 -1.591 -3.884 -0.355
114 2HB SER 20 2HB SER 20 -2.597 -5.186 -0.978
115 HG SER 20 HG SER 20 -1.037 -6.601 -0.580
116 H ARG 21 H ARG 21 -1.318 -5.591 -4.660
117 HA ARG 21 HA ARG 21 -3.820 -4.355 -5.541
118 1HB ARG 21 1HB ARG 21 -1.611 -5.666 -6.677
119 2HB ARG 21 2HB ARG 21 -2.970 -6.752 -6.971
120 1HG ARG 21 1HG ARG 21 -4.239 -4.977 -8.026
121 2HG ARG 21 2HG ARG 21 -3.015 -3.785 -7.588
122 1HD ARG 21 1HD ARG 21 -1.517 -5.670 -8.947
123 2HD ARG 21 2HD ARG 21 -3.047 -5.673 -9.846
124 HE ARG 21 HE ARG 21 -1.170 -3.451 -9.715
125 1HH1 ARG 21 1HH1 ARG 21 -2.972 -1.639 -8.878
126 2HH1 ARG 21 2HH1 ARG 21 -4.121 -1.380 -10.149
127 1HH2 ARG 21 1HH2 ARG 21 -3.305 -4.305 -11.842
128 2HH2 ARG 21 2HH2 ARG 21 -4.311 -2.895 -11.830
129 H THR 22 H THR 22 -2.875 -7.315 -3.902
130 HA THR 22 HA THR 22 -5.247 -8.876 -4.396
131 HB THR 22 HB THR 22 -3.319 -8.879 -2.045
132 HG1 THR 22 HG1 THR 22 -1.939 -9.506 -3.473
133 1HG2 THR 22 1HG2 THR 22 -5.497 -10.225 -1.907
134 2HG2 THR 22 2HG2 THR 22 -4.843 -11.208 -3.218
135 3HG2 THR 22 3HG2 THR 22 -3.999 -11.125 -1.671
136 H TRP 23 H TRP 23 -4.305 -6.685 -1.717
137 HA TRP 23 HA TRP 23 -7.047 -6.904 -0.567
138 1HB TRP 23 2HB TRP 23 -6.078 -6.037 1.399
139 2HB TRP 23 1HB TRP 23 -4.741 -5.297 0.530
140 HD1 TRP 23 HD1 TRP 23 -2.629 -6.479 1.266
141 HE1 TRP 23 HE1 TRP 23 -1.886 -8.937 1.530
142 HE3 TRP 23 HE3 TRP 23 -7.046 -8.852 0.285
143 HZ2 TRP 23 HZ2 TRP 23 -3.018 -11.560 1.354
144 HZ3 TRP 23 HZ3 TRP 23 -7.186 -11.325 0.344
145 HH2 TRP 23 HH2 TRP 23 -5.181 -12.681 0.877
146 H LYS 24 H LYS 24 -5.228 -4.846 -2.628
147 HA LYS 24 HA LYS 24 -5.738 -2.789 -3.625
148 1HB LYS 24 1HB LYS 24 -8.141 -4.075 -2.999
149 2HB LYS 24 2HB LYS 24 -8.356 -2.430 -2.398
150 1HG LYS 24 1HG LYS 24 -8.125 -1.483 -4.503
151 2HG LYS 24 2HG LYS 24 -7.144 -2.817 -5.109
152 1HD LYS 24 2HD LYS 24 -9.407 -4.175 -4.644
153 2HD LYS 24 1HD LYS 24 -9.118 -3.337 -6.169
154 1HE LYS 24 1HE LYS 24 -10.238 -1.571 -4.099
155 2HE LYS 24 2HE LYS 24 -10.798 -1.851 -5.759
156 1HZ LYS 24 1HZ LYS 24 -11.199 -3.705 -3.466
157 2HZ LYS 24 2HZ LYS 24 -12.394 -2.702 -4.138
158 3HZ LYS 24 3HZ LYS 24 -11.734 -3.964 -5.058
159 H TRP 25 H TRP 25 -4.436 -2.845 -0.952
160 HA TRP 25 HA TRP 25 -5.032 -0.037 -0.221
161 1HB TRP 25 1HB TRP 25 -5.857 -0.485 1.872
162 2HB TRP 25 2HB TRP 25 -6.304 -2.012 1.132
163 HD1 TRP 25 HD1 TRP 25 -3.030 -0.694 2.759
164 HE1 TRP 25 HE1 TRP 25 -2.170 -2.490 4.388
165 HE3 TRP 25 HE3 TRP 25 -6.696 -4.197 2.228
166 HZ2 TRP 25 HZ2 TRP 25 -2.938 -5.053 5.362
167 HZ3 TRP 25 HZ3 TRP 25 -6.608 -6.303 3.531
168 HH2 TRP 25 HH2 TRP 25 -4.739 -6.736 5.097
169 H CYS 26 H CYS 26 -3.253 0.972 0.956
170 HA CYS 26 HA CYS 26 -0.636 -0.037 0.158
171 1HB CYS 26 1HB CYS 26 -1.862 2.368 1.245
172 2HB CYS 26 2HB CYS 26 -0.306 2.033 2.004
173 H VAL 27 H VAL 27 0.359 -1.640 1.251
174 HA VAL 27 HA VAL 27 -0.065 -1.905 4.204
175 HB VAL 27 HB VAL 27 1.300 -3.992 2.540
176 1HG1 VAL 27 1HG1 VAL 27 -0.082 -3.757 5.085
177 2HG1 VAL 27 2HG1 VAL 27 -0.754 -5.070 4.117
178 3HG1 VAL 27 3HG1 VAL 27 0.968 -5.048 4.500
179 1HG2 VAL 27 1HG2 VAL 27 -1.560 -3.129 2.219
180 2HG2 VAL 27 2HG2 VAL 27 -0.427 -3.708 1.002
181 3HG2 VAL 27 3HG2 VAL 27 -1.172 -4.846 2.124
182 H LEU 28 H LEU 28 1.973 -2.759 5.372
183 HA LEU 28 HA LEU 28 4.213 -0.949 4.817
184 1HB LEU 28 1HB LEU 28 3.087 -2.323 7.008
185 2HB LEU 28 2HB LEU 28 4.693 -3.020 6.800
186 HG LEU 28 HG LEU 28 4.227 -0.034 6.822
187 1HD1 LEU 28 1HD1 LEU 28 3.428 -1.071 8.954
188 2HD1 LEU 28 2HD1 LEU 28 5.027 -1.786 9.164
189 3HD1 LEU 28 3HD1 LEU 28 4.835 -0.033 9.180
190 1HD2 LEU 28 1HD2 LEU 28 6.576 -1.897 6.873
191 2HD2 LEU 28 2HD2 LEU 28 6.365 -0.390 5.982
192 3HD2 LEU 28 3HD2 LEU 28 6.714 -0.351 7.711
193 H ALA 29 H ALA 29 6.331 -1.602 4.190
194 HA ALA 29 HA ALA 29 6.465 -4.017 2.524
195 1HB ALA 29 2HB ALA 29 8.542 -1.929 3.272
196 2HB ALA 29 1HB ALA 29 7.440 -1.815 1.899
197 3HB ALA 29 3HB ALA 29 8.668 -3.080 1.941
198 H GLY 30 H GLY 30 6.340 -5.748 4.090
199 1HA GLY 30 1HA GLY 30 8.484 -5.889 6.141
200 2HA GLY 30 2HA GLY 30 7.095 -6.971 6.028
201 HA PRO 31 HA PRO 31 9.749 -9.845 4.026
202 1HB PRO 31 1HB PRO 31 7.874 -11.405 2.781
203 2HB PRO 31 2HB PRO 31 8.168 -11.458 4.530
204 1HG PRO 31 2HG PRO 31 5.938 -10.938 4.578
205 2HG PRO 31 1HG PRO 31 5.995 -10.107 3.016
206 1HD PRO 31 1HD PRO 31 6.004 -8.215 4.294
207 2HD PRO 31 2HD PRO 31 6.586 -9.080 5.734
208 H TRP 32 H TRP 32 10.917 -8.940 2.334
209 HA TRP 32 HA TRP 32 9.537 -8.700 -0.315
210 1HB TRP 32 1HB TRP 32 9.857 -6.522 1.033
211 2HB TRP 32 2HB TRP 32 11.581 -6.726 0.725
212 HD1 TRP 32 HD1 TRP 32 12.460 -5.853 -1.506
213 HE1 TRP 32 HE1 TRP 32 11.390 -5.020 -3.700
214 HE3 TRP 32 HE3 TRP 32 7.560 -6.949 -0.571
215 HZ2 TRP 32 HZ2 TRP 32 8.798 -4.842 -4.898
216 HZ3 TRP 32 HZ3 TRP 32 5.814 -6.438 -2.254
217 HH2 TRP 32 HH2 TRP 32 6.427 -5.387 -4.414
No H/Q in entry = 217
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.914 10.664 5.648
2 H2 GLY 1 H2 GLY 1 3.134 9.868 6.521
3 H3 GLY 1 H3 GLY 1 3.507 10.665 5.068
4 1HA GLY 1 1HA GLY 1 2.172 9.102 3.815
5 2HA GLY 1 2HA GLY 1 3.417 8.266 4.744
6 H CYS 2 H CYS 2 0.575 7.516 3.813
7 HA CYS 2 HA CYS 2 -0.664 6.911 6.462
8 1HB CYS 2 1HB CYS 2 -2.659 6.428 5.070
9 2HB CYS 2 2HB CYS 2 -2.016 8.030 4.727
10 H LEU 3 H LEU 3 1.445 5.345 6.390
11 HA LEU 3 HA LEU 3 1.099 2.862 4.881
12 1HB LEU 3 1HB LEU 3 3.230 4.082 5.825
13 2HB LEU 3 2HB LEU 3 2.842 3.220 7.313
14 HG LEU 3 HG LEU 3 2.776 1.584 4.842
15 1HD1 LEU 3 1HD1 LEU 3 5.365 2.666 5.996
16 2HD1 LEU 3 2HD1 LEU 3 5.253 1.350 4.827
17 3HD1 LEU 3 3HD1 LEU 3 4.739 2.976 4.378
18 1HD2 LEU 3 1HD2 LEU 3 3.877 1.291 7.653
19 2HD2 LEU 3 2HD2 LEU 3 2.435 0.527 6.985
20 3HD2 LEU 3 3HD2 LEU 3 4.033 0.042 6.417
21 H GLY 4 H GLY 4 -0.684 1.636 5.458
22 1HA GLY 4 1HA GLY 4 -1.063 -0.125 7.360
23 2HA GLY 4 2HA GLY 4 -1.300 1.309 8.359
24 H ASP 5 H ASP 5 -2.539 2.555 5.744
25 HA ASP 5 HA ASP 5 -5.290 2.132 6.457
26 1HB ASP 5 1HB ASP 5 -3.760 3.377 4.178
27 2HB ASP 5 2HB ASP 5 -5.517 3.258 4.090
28 H LYS 6 H LYS 6 -6.519 0.361 5.985
29 HA LYS 6 HA LYS 6 -5.705 -1.905 4.533
30 1HB LYS 6 1HB LYS 6 -8.123 -2.479 4.584
31 2HB LYS 6 2HB LYS 6 -7.572 -1.828 6.125
32 1HG LYS 6 1HG LYS 6 -8.389 0.387 4.534
33 2HG LYS 6 2HG LYS 6 -9.653 -0.836 4.408
34 1HD LYS 6 1HD LYS 6 -10.053 -0.847 6.719
35 2HD LYS 6 2HD LYS 6 -8.476 -0.152 7.092
36 1HE LYS 6 2HE LYS 6 -9.828 1.717 5.413
37 2HE LYS 6 1HE LYS 6 -9.437 1.898 7.134
38 1HZ LYS 6 1HZ LYS 6 -11.439 0.633 7.667
39 2HZ LYS 6 2HZ LYS 6 -11.836 2.004 6.752
40 3HZ LYS 6 3HZ LYS 6 -11.806 0.474 6.015
41 H CYS 7 H CYS 7 -5.907 -2.580 2.400
42 HA CYS 7 HA CYS 7 -7.147 -0.701 0.424
43 1HB CYS 7 1HB CYS 7 -4.726 -0.297 0.560
44 2HB CYS 7 2HB CYS 7 -4.410 -2.015 0.325
45 H ASP 8 H ASP 8 -8.132 -1.768 -1.328
46 HA ASP 8 HA ASP 8 -7.991 -4.769 -1.331
47 1HB ASP 8 1HB ASP 8 -10.072 -3.807 -0.342
48 2HB ASP 8 2HB ASP 8 -10.378 -2.965 -1.860
49 H TYR 9 H TYR 9 -9.435 -2.241 -3.444
50 HA TYR 9 HA TYR 9 -7.652 -3.069 -5.669
51 1HB TYR 9 1HB TYR 9 -10.084 -4.305 -5.259
52 2HB TYR 9 2HB TYR 9 -10.511 -3.022 -6.391
53 HD1 TYR 9 HD1 TYR 9 -8.080 -5.806 -5.840
54 HD2 TYR 9 HD2 TYR 9 -9.979 -3.208 -8.685
55 HE1 TYR 9 HE1 TYR 9 -7.081 -7.110 -7.697
56 HE2 TYR 9 HE2 TYR 9 -8.980 -4.511 -10.542
57 HH TYR 9 HH TYR 9 -8.000 -7.350 -10.476
58 H ASN 10 H ASN 10 -10.687 -1.217 -5.103
59 HA ASN 10 HA ASN 10 -9.518 1.030 -6.695
60 1HB ASN 10 1HB ASN 10 -11.876 -0.277 -6.944
61 2HB ASN 10 2HB ASN 10 -12.369 0.991 -5.821
62 2HD2 ASN 10 1HD2 ASN 10 -12.355 3.209 -6.591
63 1HD2 ASN 10 2HD2 ASN 10 -12.130 3.588 -8.231
64 H ASN 11 H ASN 11 -8.575 0.679 -4.014
65 HA ASN 11 HA ASN 11 -10.072 2.563 -2.291
66 1HB ASN 11 1HB ASN 11 -7.651 0.774 -2.042
67 2HB ASN 11 2HB ASN 11 -8.024 1.960 -0.792
68 2HD2 ASN 11 1HD2 ASN 11 -9.521 1.309 0.780
69 1HD2 ASN 11 2HD2 ASN 11 -10.558 -0.027 0.629
70 H GLY 12 H GLY 12 -6.781 2.355 -3.726
71 1HA GLY 12 1HA GLY 12 -5.505 4.146 -4.631
72 2HA GLY 12 2HA GLY 12 -6.746 5.275 -4.085
73 H CYS 13 H CYS 13 -3.677 3.961 -3.390
74 HA CYS 13 HA CYS 13 -3.695 4.560 -0.509
75 1HB CYS 13 1HB CYS 13 -1.498 3.851 -2.485
76 2HB CYS 13 2HB CYS 13 -1.303 3.894 -0.734
77 H CYS 14 H CYS 14 -1.313 5.858 -0.069
78 HA CYS 14 HA CYS 14 -1.943 8.622 -0.817
79 1HB CYS 14 1HB CYS 14 0.171 7.221 0.831
80 2HB CYS 14 2HB CYS 14 0.191 8.967 0.588
81 H SER 15 H SER 15 0.178 9.993 -1.408
82 HA SER 15 HA SER 15 0.990 9.215 -4.070
83 1HB SER 15 1HB SER 15 2.482 11.248 -3.775
84 2HB SER 15 2HB SER 15 0.779 11.539 -3.439
85 HG SER 15 HG SER 15 1.939 12.391 -1.753
86 H GLY 16 H GLY 16 2.564 7.753 -4.566
87 1HA GLY 16 1HA GLY 16 4.732 6.775 -4.500
88 2HA GLY 16 2HA GLY 16 5.059 7.653 -3.006
89 H TYR 17 H TYR 17 2.043 6.000 -2.996
90 HA TYR 17 HA TYR 17 3.228 3.831 -1.297
91 1HB TYR 17 1HB TYR 17 0.848 5.608 -1.158
92 2HB TYR 17 2HB TYR 17 0.594 3.945 -0.632
93 HD1 TYR 17 HD1 TYR 17 2.860 6.884 -0.165
94 HD2 TYR 17 HD2 TYR 17 1.315 3.234 1.489
95 HE1 TYR 17 HE1 TYR 17 3.981 7.386 1.987
96 HE2 TYR 17 HE2 TYR 17 2.437 3.735 3.640
97 HH TYR 17 HH TYR 17 3.230 5.979 4.825
98 H VAL 18 H VAL 18 2.226 1.699 -1.501
99 HA VAL 18 HA VAL 18 0.683 1.293 -4.042
100 HB VAL 18 HB VAL 18 2.880 0.602 -4.541
101 1HG1 VAL 18 1HG1 VAL 18 2.922 -0.518 -1.737
102 2HG1 VAL 18 2HG1 VAL 18 4.118 -0.992 -2.943
103 3HG1 VAL 18 3HG1 VAL 18 3.991 0.694 -2.443
104 1HG2 VAL 18 1HG2 VAL 18 1.177 -1.134 -5.059
105 2HG2 VAL 18 2HG2 VAL 18 2.772 -1.823 -4.761
106 3HG2 VAL 18 3HG2 VAL 18 1.530 -1.906 -3.513
107 H CYS 19 H CYS 19 -0.528 -0.758 -4.058
108 HA CYS 19 HA CYS 19 -1.833 -1.248 -1.441
109 1HB CYS 19 1HB CYS 19 -2.992 -0.828 -3.682
110 2HB CYS 19 2HB CYS 19 -2.447 -2.435 -4.163
111 H SER 20 H SER 20 -0.773 -2.747 -0.169
112 HA SER 20 HA SER 20 0.673 -5.011 -1.409
113 1HB SER 20 1HB SER 20 0.503 -3.641 1.220
114 2HB SER 20 2HB SER 20 0.909 -5.354 1.263
115 HG SER 20 HG SER 20 2.833 -4.722 0.722
116 H ARG 21 H ARG 21 -0.395 -6.897 -1.811
117 HA ARG 21 HA ARG 21 -3.028 -7.478 -0.703
118 1HB ARG 21 1HB ARG 21 -1.425 -8.210 -2.899
119 2HB ARG 21 2HB ARG 21 -1.628 -9.693 -1.968
120 1HG ARG 21 2HG ARG 21 -4.140 -8.353 -2.014
121 2HG ARG 21 1HG ARG 21 -3.716 -9.898 -2.750
122 1HD ARG 21 1HD ARG 21 -2.583 -8.021 -4.480
123 2HD ARG 21 2HD ARG 21 -4.125 -8.858 -4.744
124 HE ARG 21 HE ARG 21 -3.829 -6.082 -3.917
125 1HH1 ARG 21 1HH1 ARG 21 -5.369 -6.477 -1.678
126 2HH1 ARG 21 2HH1 ARG 21 -7.002 -6.701 -2.211
127 1HH2 ARG 21 1HH2 ARG 21 -6.113 -7.436 -5.490
128 2HH2 ARG 21 2HH2 ARG 21 -7.424 -7.245 -4.374
129 H THR 22 H THR 22 0.304 -8.463 -0.026
130 HA THR 22 HA THR 22 -0.190 -10.765 1.588
131 HB THR 22 HB THR 22 1.998 -8.684 1.911
132 HG1 THR 22 HG1 THR 22 1.725 -10.806 0.047
133 1HG2 THR 22 1HG2 THR 22 1.756 -10.651 3.544
134 2HG2 THR 22 2HG2 THR 22 2.187 -11.684 2.181
135 3HG2 THR 22 3HG2 THR 22 3.322 -10.463 2.755
136 H TRP 23 H TRP 23 0.198 -7.320 2.542
137 HA TRP 23 HA TRP 23 -0.791 -8.002 5.276
138 1HB TRP 23 1HB TRP 23 0.211 -5.321 4.318
139 2HB TRP 23 2HB TRP 23 0.225 -5.980 5.948
140 HD1 TRP 23 HD1 TRP 23 2.642 -5.054 3.656
141 HE1 TRP 23 HE1 TRP 23 4.725 -6.580 3.648
142 HE3 TRP 23 HE3 TRP 23 0.760 -9.149 6.070
143 HZ2 TRP 23 HZ2 TRP 23 5.492 -9.185 4.554
144 HZ3 TRP 23 HZ3 TRP 23 2.187 -11.130 6.489
145 HH2 TRP 23 HH2 TRP 23 4.549 -11.154 5.734
146 H LYS 24 H LYS 24 -2.088 -6.989 2.350
147 HA LYS 24 HA LYS 24 -4.100 -5.964 1.729
148 1HB LYS 24 1HB LYS 24 -4.661 -6.766 4.597
149 2HB LYS 24 2HB LYS 24 -5.901 -6.283 3.438
150 1HG LYS 24 1HG LYS 24 -5.342 -8.128 1.972
151 2HG LYS 24 2HG LYS 24 -3.951 -8.556 2.969
152 1HD LYS 24 1HD LYS 24 -6.652 -8.440 4.250
153 2HD LYS 24 2HD LYS 24 -6.249 -9.835 3.251
154 1HE LYS 24 1HE LYS 24 -4.252 -8.930 5.306
155 2HE LYS 24 2HE LYS 24 -5.665 -9.863 5.837
156 1HZ LYS 24 1HZ LYS 24 -5.166 -11.500 4.102
157 2HZ LYS 24 2HZ LYS 24 -3.772 -10.632 3.674
158 3HZ LYS 24 3HZ LYS 24 -3.884 -11.356 5.206
159 H TRP 25 H TRP 25 -2.000 -4.138 2.771
160 HA TRP 25 HA TRP 25 -3.807 -1.884 3.452
161 1HB TRP 25 1HB TRP 25 -2.950 -1.514 5.542
162 2HB TRP 25 2HB TRP 25 -2.561 -3.223 5.458
163 HD1 TRP 25 HD1 TRP 25 -0.743 -0.047 4.138
164 HE1 TRP 25 HE1 TRP 25 1.720 -0.192 4.852
165 HE3 TRP 25 HE3 TRP 25 -0.837 -4.415 6.764
166 HZ2 TRP 25 HZ2 TRP 25 3.427 -1.901 6.356
167 HZ3 TRP 25 HZ3 TRP 25 1.227 -5.269 7.837
168 HH2 TRP 25 HH2 TRP 25 3.355 -4.020 7.641
169 H CYS 26 H CYS 26 -2.804 0.230 3.004
170 HA CYS 26 HA CYS 26 -1.171 0.203 0.610
171 1HB CYS 26 1HB CYS 26 -2.209 2.310 2.506
172 2HB CYS 26 2HB CYS 26 -1.224 2.729 1.105
173 H VAL 27 H VAL 27 0.939 -0.481 0.871
174 HA VAL 27 HA VAL 27 2.555 0.514 3.166
175 HB VAL 27 HB VAL 27 3.342 -1.378 0.928
176 1HG1 VAL 27 1HG1 VAL 27 4.397 -0.756 3.686
177 2HG1 VAL 27 2HG1 VAL 27 4.796 -2.263 2.864
178 3HG1 VAL 27 3HG1 VAL 27 5.261 -0.719 2.149
179 1HG2 VAL 27 1HG2 VAL 27 1.246 -2.124 2.138
180 2HG2 VAL 27 2HG2 VAL 27 2.610 -3.225 2.315
181 3HG2 VAL 27 3HG2 VAL 27 2.185 -2.133 3.628
182 H LEU 28 H LEU 28 4.752 1.409 2.640
183 HA LEU 28 HA LEU 28 4.574 3.468 0.572
184 1HB LEU 28 1HB LEU 28 5.598 3.777 2.820
185 2HB LEU 28 2HB LEU 28 6.849 2.610 2.394
186 HG LEU 28 HG LEU 28 6.526 4.724 0.384
187 1HD1 LEU 28 1HD1 LEU 28 7.211 5.412 3.248
188 2HD1 LEU 28 2HD1 LEU 28 7.775 6.387 1.890
189 3HD1 LEU 28 3HD1 LEU 28 6.046 6.204 2.186
190 1HD2 LEU 28 1HD2 LEU 28 8.399 2.972 0.725
191 2HD2 LEU 28 2HD2 LEU 28 8.898 4.625 0.367
192 3HD2 LEU 28 3HD2 LEU 28 8.967 4.022 2.024
193 H ALA 29 H ALA 29 5.356 3.304 -1.491
194 HA ALA 29 HA ALA 29 6.566 0.814 -2.430
195 1HB ALA 29 3HB ALA 29 6.396 1.926 -4.599
196 2HB ALA 29 1HB ALA 29 4.923 2.243 -3.682
197 3HB ALA 29 2HB ALA 29 6.165 3.488 -3.814
198 H GLY 30 H GLY 30 8.694 0.488 -1.818
199 1HA GLY 30 1HA GLY 30 10.588 2.669 -1.498
200 2HA GLY 30 2HA GLY 30 10.971 0.950 -1.422
201 HA PRO 31 HA PRO 31 11.666 2.878 -5.794
202 1HB PRO 31 1HB PRO 31 13.837 4.526 -5.529
203 2HB PRO 31 2HB PRO 31 12.163 5.106 -5.424
204 1HG PRO 31 2HG PRO 31 12.911 5.819 -3.375
205 2HG PRO 31 1HG PRO 31 14.101 4.514 -3.245
206 1HD PRO 31 1HD PRO 31 12.538 3.584 -1.855
207 2HD PRO 31 2HD PRO 31 11.208 4.523 -2.568
208 H TRP 32 H TRP 32 12.557 0.979 -6.565
209 HA TRP 32 HA TRP 32 15.393 0.361 -5.803
210 1HB TRP 32 1HB TRP 32 13.382 -1.018 -4.791
211 2HB TRP 32 2HB TRP 32 13.359 -1.779 -6.382
212 HD1 TRP 32 HD1 TRP 32 15.303 -1.636 -3.165
213 HE1 TRP 32 HE1 TRP 32 17.265 -3.306 -3.266
214 HE3 TRP 32 HE3 TRP 32 15.118 -2.917 -8.105
215 HZ2 TRP 32 HZ2 TRP 32 18.581 -4.966 -5.188
216 HZ3 TRP 32 HZ3 TRP 32 16.736 -4.543 -9.044
217 HH2 TRP 32 HH2 TRP 32 18.466 -5.567 -7.593
No H/Q in entry = 217
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -1.153 7.344 10.234
2 H2 GLY 1 H2 GLY 1 0.481 7.671 10.553
3 H3 GLY 1 H3 GLY 1 -0.018 7.312 8.969
4 1HA GLY 1 1HA GLY 1 1.039 5.380 9.843
5 2HA GLY 1 2HA GLY 1 0.034 5.464 11.291
6 H CYS 2 H CYS 2 -0.053 4.899 7.791
7 HA CYS 2 HA CYS 2 -2.691 3.511 8.161
8 1HB CYS 2 2HB CYS 2 -3.113 4.177 5.814
9 2HB CYS 2 1HB CYS 2 -1.519 4.929 5.741
10 H LEU 3 H LEU 3 -0.016 2.274 8.504
11 HA LEU 3 HA LEU 3 0.447 0.681 6.062
12 1HB LEU 3 1HB LEU 3 2.129 1.619 7.855
13 2HB LEU 3 2HB LEU 3 1.673 0.179 8.765
14 HG LEU 3 HG LEU 3 2.434 -0.105 5.875
15 1HD1 LEU 3 1HD1 LEU 3 4.272 0.466 8.188
16 2HD1 LEU 3 2HD1 LEU 3 4.806 -0.585 6.876
17 3HD1 LEU 3 3HD1 LEU 3 4.343 1.082 6.537
18 1HD2 LEU 3 1HD2 LEU 3 2.223 -1.786 8.329
19 2HD2 LEU 3 2HD2 LEU 3 1.819 -2.181 6.658
20 3HD2 LEU 3 3HD2 LEU 3 3.501 -2.205 7.188
21 H GLY 4 H GLY 4 -0.478 -1.309 5.710
22 1HA GLY 4 1HA GLY 4 -1.150 -3.524 6.492
23 2HA GLY 4 2HA GLY 4 -1.569 -2.807 8.047
24 H ASP 5 H ASP 5 -2.869 -0.486 6.489
25 HA ASP 5 HA ASP 5 -5.568 -1.445 6.556
26 1HB ASP 5 1HB ASP 5 -4.175 0.975 5.382
27 2HB ASP 5 2HB ASP 5 -5.926 0.778 5.301
28 H LYS 6 H LYS 6 -6.622 -2.664 5.055
29 HA LYS 6 HA LYS 6 -5.465 -3.623 2.642
30 1HB LYS 6 2HB LYS 6 -7.357 -4.614 3.953
31 2HB LYS 6 1HB LYS 6 -7.712 -4.490 2.231
32 1HG LYS 6 1HG LYS 6 -8.465 -2.072 3.704
33 2HG LYS 6 2HG LYS 6 -9.423 -3.051 2.592
34 1HD LYS 6 1HD LYS 6 -9.901 -4.663 4.364
35 2HD LYS 6 2HD LYS 6 -8.860 -3.781 5.481
36 1HE LYS 6 2HE LYS 6 -10.412 -1.743 4.967
37 2HE LYS 6 1HE LYS 6 -11.052 -3.022 6.018
38 1HZ LYS 6 1HZ LYS 6 -11.940 -4.091 3.973
39 2HZ LYS 6 2HZ LYS 6 -12.644 -2.580 4.289
40 3HZ LYS 6 3HZ LYS 6 -11.459 -2.727 3.080
41 H CYS 7 H CYS 7 -5.894 -3.064 0.431
42 HA CYS 7 HA CYS 7 -6.087 -0.235 -0.136
43 1HB CYS 7 1HB CYS 7 -5.945 -2.816 -1.667
44 2HB CYS 7 2HB CYS 7 -6.324 -1.329 -2.538
45 H ASP 8 H ASP 8 -7.833 0.925 -1.047
46 HA ASP 8 HA ASP 8 -10.522 -0.133 -0.503
47 1HB ASP 8 1HB ASP 8 -9.452 2.280 -0.258
48 2HB ASP 8 2HB ASP 8 -9.922 2.433 -1.950
49 H TYR 9 H TYR 9 -8.882 1.192 -3.400
50 HA TYR 9 HA TYR 9 -10.056 -0.856 -5.140
51 1HB TYR 9 1HB TYR 9 -11.836 0.941 -4.616
52 2HB TYR 9 2HB TYR 9 -10.844 2.034 -5.580
53 HD1 TYR 9 HD1 TYR 9 -12.035 -1.522 -5.832
54 HD2 TYR 9 HD2 TYR 9 -11.516 2.265 -7.792
55 HE1 TYR 9 HE1 TYR 9 -13.020 -2.460 -7.905
56 HE2 TYR 9 HE2 TYR 9 -12.501 1.327 -9.865
57 HH TYR 9 HH TYR 9 -12.857 -1.916 -10.430
58 H ASN 10 H ASN 10 -8.827 2.512 -5.329
59 HA ASN 10 HA ASN 10 -6.972 1.703 -7.518
60 1HB ASN 10 1HB ASN 10 -8.602 3.919 -6.986
61 2HB ASN 10 2HB ASN 10 -6.968 4.498 -6.659
62 2HD2 ASN 10 1HD2 ASN 10 -9.011 3.019 -9.198
63 1HD2 ASN 10 2HD2 ASN 10 -8.013 3.481 -10.491
64 H ASN 11 H ASN 11 -7.020 2.940 -4.197
65 HA ASN 11 HA ASN 11 -4.277 2.039 -3.735
66 1HB ASN 11 1HB ASN 11 -4.580 4.526 -4.871
67 2HB ASN 11 2HB ASN 11 -4.557 4.925 -3.153
68 2HD2 ASN 11 1HD2 ASN 11 -2.518 4.474 -5.780
69 1HD2 ASN 11 2HD2 ASN 11 -1.093 4.084 -4.945
70 H GLY 12 H GLY 12 -6.498 4.526 -2.389
71 1HA GLY 12 1HA GLY 12 -7.407 4.759 -0.242
72 2HA GLY 12 2HA GLY 12 -7.415 2.997 -0.181
73 H CYS 13 H CYS 13 -4.584 5.141 -0.475
74 HA CYS 13 HA CYS 13 -3.651 4.131 2.197
75 1HB CYS 13 1HB CYS 13 -2.147 4.568 -0.404
76 2HB CYS 13 2HB CYS 13 -1.376 4.153 1.126
77 H CYS 14 H CYS 14 -2.232 5.611 3.348
78 HA CYS 14 HA CYS 14 -2.926 8.441 2.942
79 1HB CYS 14 1HB CYS 14 -1.228 6.916 4.945
80 2HB CYS 14 2HB CYS 14 -1.569 8.642 5.064
81 H SER 15 H SER 15 -0.949 10.030 3.257
82 HA SER 15 HA SER 15 0.751 9.878 0.974
83 1HB SER 15 1HB SER 15 0.670 11.464 3.531
84 2HB SER 15 2HB SER 15 2.014 11.680 2.413
85 HG SER 15 HG SER 15 0.628 12.385 0.876
86 H GLY 16 H GLY 16 2.538 8.633 0.650
87 1HA GLY 16 1HA GLY 16 4.742 7.838 1.264
88 2HA GLY 16 2HA GLY 16 4.280 7.949 2.962
89 H TYR 17 H TYR 17 1.878 6.525 0.942
90 HA TYR 17 HA TYR 17 2.807 3.772 1.685
91 1HB TYR 17 1HB TYR 17 0.175 5.179 2.134
92 2HB TYR 17 2HB TYR 17 0.253 3.420 2.062
93 HD1 TYR 17 HD1 TYR 17 1.950 2.231 3.600
94 HD2 TYR 17 HD2 TYR 17 0.738 6.319 4.119
95 HE1 TYR 17 HE1 TYR 17 2.746 2.169 5.946
96 HE2 TYR 17 HE2 TYR 17 1.533 6.256 6.466
97 HH TYR 17 HH TYR 17 3.559 4.430 7.672
98 H VAL 18 H VAL 18 2.383 2.199 0.112
99 HA VAL 18 HA VAL 18 1.047 3.149 -2.406
100 HB VAL 18 HB VAL 18 2.651 1.544 -3.521
101 1HG1 VAL 18 1HG1 VAL 18 3.060 4.033 -3.219
102 2HG1 VAL 18 2HG1 VAL 18 4.072 3.617 -1.836
103 3HG1 VAL 18 3HG1 VAL 18 4.509 3.055 -3.449
104 1HG2 VAL 18 1HG2 VAL 18 3.007 0.266 -1.292
105 2HG2 VAL 18 2HG2 VAL 18 4.421 0.535 -2.310
106 3HG2 VAL 18 3HG2 VAL 18 4.148 1.550 -0.894
107 H CYS 19 H CYS 19 -0.350 1.657 -3.443
108 HA CYS 19 HA CYS 19 -1.562 -0.375 -1.718
109 1HB CYS 19 1HB CYS 19 -2.802 1.133 -3.272
110 2HB CYS 19 2HB CYS 19 -2.013 0.344 -4.637
111 H SER 20 H SER 20 -0.229 -2.174 -1.442
112 HA SER 20 HA SER 20 1.443 -3.282 -3.537
113 1HB SER 20 1HB SER 20 2.006 -3.573 -1.211
114 2HB SER 20 2HB SER 20 0.427 -4.269 -0.857
115 HG SER 20 HG SER 20 2.658 -5.384 -2.109
116 H ARG 21 H ARG 21 0.822 -4.659 -5.157
117 HA ARG 21 HA ARG 21 -1.958 -5.582 -5.335
118 1HB ARG 21 1HB ARG 21 0.545 -5.810 -7.014
119 2HB ARG 21 2HB ARG 21 -0.946 -6.635 -7.468
120 1HG ARG 21 1HG ARG 21 -1.518 -3.894 -6.747
121 2HG ARG 21 2HG ARG 21 -0.264 -3.944 -7.986
122 1HD ARG 21 1HD ARG 21 -1.877 -5.731 -9.104
123 2HD ARG 21 2HD ARG 21 -3.106 -4.895 -8.135
124 HE ARG 21 HE ARG 21 -1.261 -3.179 -9.692
125 1HH1 ARG 21 1HH1 ARG 21 -3.377 -1.579 -9.134
126 2HH1 ARG 21 2HH1 ARG 21 -4.603 -1.883 -10.318
127 1HH2 ARG 21 1HH2 ARG 21 -3.258 -4.927 -11.317
128 2HH2 ARG 21 2HH2 ARG 21 -4.536 -3.783 -11.558
129 H THR 22 H THR 22 1.005 -6.846 -4.064
130 HA THR 22 HA THR 22 0.290 -9.681 -4.390
131 HB THR 22 HB THR 22 2.428 -8.396 -2.664
132 HG1 THR 22 HG1 THR 22 3.445 -7.905 -4.421
133 1HG2 THR 22 1HG2 THR 22 2.107 -11.104 -3.976
134 2HG2 THR 22 2HG2 THR 22 3.619 -10.542 -3.261
135 3HG2 THR 22 3HG2 THR 22 2.189 -10.752 -2.250
136 H TRP 23 H TRP 23 0.547 -7.356 -1.659
137 HA TRP 23 HA TRP 23 -0.865 -9.312 0.101
138 1HB TRP 23 2HB TRP 23 0.049 -8.089 1.889
139 2HB TRP 23 1HB TRP 23 0.240 -6.630 0.924
140 HD1 TRP 23 HD1 TRP 23 2.706 -6.162 0.664
141 HE1 TRP 23 HE1 TRP 23 4.804 -7.554 0.100
142 HE3 TRP 23 HE3 TRP 23 0.650 -10.837 0.483
143 HZ2 TRP 23 HZ2 TRP 23 5.516 -10.287 -0.361
144 HZ3 TRP 23 HZ3 TRP 23 2.059 -12.813 -0.015
145 HH2 TRP 23 HH2 TRP 23 4.488 -12.545 -0.437
146 H LYS 24 H LYS 24 -1.463 -6.441 -1.721
147 HA LYS 24 HA LYS 24 -3.374 -5.116 -1.983
148 1HB LYS 24 1HB LYS 24 -4.458 -7.488 -0.450
149 2HB LYS 24 2HB LYS 24 -5.495 -6.188 -1.030
150 1HG LYS 24 1HG LYS 24 -3.580 -7.594 -2.889
151 2HG LYS 24 2HG LYS 24 -5.184 -8.251 -2.564
152 1HD LYS 24 1HD LYS 24 -6.269 -6.516 -3.636
153 2HD LYS 24 2HD LYS 24 -4.986 -5.358 -3.287
154 1HE LYS 24 1HE LYS 24 -3.868 -5.848 -5.214
155 2HE LYS 24 2HE LYS 24 -4.140 -7.592 -5.029
156 1HZ LYS 24 1HZ LYS 24 -6.205 -5.614 -5.850
157 2HZ LYS 24 2HZ LYS 24 -5.401 -6.672 -6.903
158 3HZ LYS 24 3HZ LYS 24 -6.430 -7.293 -5.702
159 H TRP 25 H TRP 25 -1.567 -4.519 0.270
160 HA TRP 25 HA TRP 25 -3.539 -3.030 1.942
161 1HB TRP 25 1HB TRP 25 -2.774 -3.913 3.930
162 2HB TRP 25 2HB TRP 25 -2.422 -5.284 2.893
163 HD1 TRP 25 HD1 TRP 25 -0.454 -2.030 3.717
164 HE1 TRP 25 HE1 TRP 25 1.960 -2.695 4.304
165 HE3 TRP 25 HE3 TRP 25 -0.813 -7.098 3.324
166 HZ2 TRP 25 HZ2 TRP 25 3.529 -5.053 4.600
167 HZ3 TRP 25 HZ3 TRP 25 1.156 -8.529 3.778
168 HH2 TRP 25 HH2 TRP 25 3.324 -7.518 4.417
169 H CYS 26 H CYS 26 -2.576 -1.074 2.936
170 HA CYS 26 HA CYS 26 -0.843 0.339 1.101
171 1HB CYS 26 1HB CYS 26 -1.848 0.918 3.898
172 2HB CYS 26 2HB CYS 26 -1.015 2.098 2.886
173 H VAL 27 H VAL 27 1.257 -0.404 0.971
174 HA VAL 27 HA VAL 27 2.767 -0.972 3.480
175 HB VAL 27 HB VAL 27 3.845 -1.294 0.686
176 1HG1 VAL 27 1HG1 VAL 27 4.124 -2.773 3.314
177 2HG1 VAL 27 2HG1 VAL 27 4.803 -3.364 1.797
178 3HG1 VAL 27 3HG1 VAL 27 5.357 -1.832 2.473
179 1HG2 VAL 27 1HG2 VAL 27 1.572 -2.803 1.917
180 2HG2 VAL 27 2HG2 VAL 27 1.881 -2.433 0.223
181 3HG2 VAL 27 3HG2 VAL 27 2.776 -3.727 1.021
182 H LEU 28 H LEU 28 4.876 0.060 3.780
183 HA LEU 28 HA LEU 28 4.898 2.883 3.235
184 1HB LEU 28 1HB LEU 28 6.065 1.288 5.032
185 2HB LEU 28 2HB LEU 28 7.398 1.361 3.878
186 HG LEU 28 HG LEU 28 7.106 3.904 3.921
187 1HD1 LEU 28 1HD1 LEU 28 5.360 3.086 6.255
188 2HD1 LEU 28 2HD1 LEU 28 6.063 4.697 6.114
189 3HD1 LEU 28 3HD1 LEU 28 4.929 4.120 4.893
190 1HD2 LEU 28 1HD2 LEU 28 8.138 2.171 6.129
191 2HD2 LEU 28 2HD2 LEU 28 9.016 3.256 5.051
192 3HD2 LEU 28 3HD2 LEU 28 8.097 3.913 6.405
193 H ALA 29 H ALA 29 5.598 3.946 1.430
194 HA ALA 29 HA ALA 29 6.523 2.548 -0.920
195 1HB ALA 29 3HB ALA 29 6.553 4.759 -1.870
196 2HB ALA 29 2HB ALA 29 6.737 5.504 -0.282
197 3HB ALA 29 1HB ALA 29 5.215 4.729 -0.722
198 H GLY 30 H GLY 30 8.511 1.499 -0.646
199 1HA GLY 30 1HA GLY 30 10.801 3.130 0.365
200 2HA GLY 30 2HA GLY 30 10.757 1.367 0.337
201 HA PRO 31 HA PRO 31 13.123 2.601 -3.381
202 1HB PRO 31 1HB PRO 31 14.871 0.498 -3.249
203 2HB PRO 31 2HB PRO 31 15.105 2.012 -2.353
204 1HG PRO 31 2HG PRO 31 15.122 0.552 -0.583
205 2HG PRO 31 1HG PRO 31 14.067 -0.609 -1.403
206 1HD PRO 31 1HD PRO 31 12.455 0.301 -0.059
207 2HD PRO 31 2HD PRO 31 13.368 1.808 0.174
208 H TRP 32 H TRP 32 11.717 -0.499 -2.394
209 HA TRP 32 HA TRP 32 11.835 -1.771 -4.994
210 1HB TRP 32 1HB TRP 32 10.126 -2.183 -2.518
211 2HB TRP 32 2HB TRP 32 10.140 -3.289 -3.889
212 HD1 TRP 32 HD1 TRP 32 13.539 -2.222 -3.815
213 HE1 TRP 32 HE1 TRP 32 15.044 -3.794 -2.437
214 HE3 TRP 32 HE3 TRP 32 9.977 -4.800 -1.216
215 HZ2 TRP 32 HZ2 TRP 32 14.774 -5.872 -0.489
216 HZ3 TRP 32 HZ3 TRP 32 10.629 -6.568 0.393
217 HH2 TRP 32 HH2 TRP 32 13.021 -7.107 0.759
No H/Q in entry = 217
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -2.613 0.842 12.152
2 H2 GLY 1 H2 GLY 1 -1.728 -0.185 13.176
3 H3 GLY 1 H3 GLY 1 -1.022 0.413 11.752
4 1HA GLY 1 1HA GLY 1 -1.589 -1.770 11.215
5 2HA GLY 1 2HA GLY 1 -3.142 -1.627 12.039
6 H CYS 2 H CYS 2 -1.339 0.017 9.411
7 HA CYS 2 HA CYS 2 -3.885 0.718 8.072
8 1HB CYS 2 1HB CYS 2 -0.964 1.362 7.778
9 2HB CYS 2 2HB CYS 2 -2.071 1.718 6.452
10 H LEU 3 H LEU 3 -1.695 -1.915 8.006
11 HA LEU 3 HA LEU 3 -1.559 -2.602 5.249
12 1HB LEU 3 1HB LEU 3 -0.285 -3.659 7.088
13 2HB LEU 3 2HB LEU 3 -1.776 -4.351 7.726
14 HG LEU 3 HG LEU 3 -1.932 -5.244 5.179
15 1HD1 LEU 3 1HD1 LEU 3 0.357 -4.110 4.797
16 2HD1 LEU 3 2HD1 LEU 3 1.024 -5.419 5.772
17 3HD1 LEU 3 3HD1 LEU 3 0.185 -5.782 4.264
18 1HD2 LEU 3 1HD2 LEU 3 -1.900 -6.472 7.456
19 2HD2 LEU 3 2HD2 LEU 3 -1.330 -7.367 6.047
20 3HD2 LEU 3 3HD2 LEU 3 -0.169 -6.669 7.177
21 H GLY 4 H GLY 4 -3.242 -2.996 3.869
22 1HA GLY 4 1HA GLY 4 -5.130 -4.648 3.460
23 2HA GLY 4 2HA GLY 4 -5.774 -4.114 5.012
24 H ASP 5 H ASP 5 -4.848 -1.266 4.314
25 HA ASP 5 HA ASP 5 -7.340 -0.304 3.252
26 1HB ASP 5 1HB ASP 5 -5.709 0.898 4.743
27 2HB ASP 5 2HB ASP 5 -4.619 1.043 3.365
28 H LYS 6 H LYS 6 -7.685 0.748 1.162
29 HA LYS 6 HA LYS 6 -6.250 -0.619 -1.036
30 1HB LYS 6 1HB LYS 6 -8.109 0.209 -2.384
31 2HB LYS 6 2HB LYS 6 -8.741 -0.477 -0.890
32 1HG LYS 6 1HG LYS 6 -9.183 1.656 0.040
33 2HG LYS 6 2HG LYS 6 -8.144 2.475 -1.125
34 1HD LYS 6 2HD LYS 6 -9.949 1.219 -2.775
35 2HD LYS 6 1HD LYS 6 -10.067 2.898 -2.253
36 1HE LYS 6 2HE LYS 6 -11.135 1.008 -0.264
37 2HE LYS 6 1HE LYS 6 -12.002 0.965 -1.811
38 1HZ LYS 6 1HZ LYS 6 -11.313 3.421 -0.267
39 2HZ LYS 6 2HZ LYS 6 -12.149 3.383 -1.743
40 3HZ LYS 6 3HZ LYS 6 -12.857 2.717 -0.350
41 H CYS 7 H CYS 7 -5.133 0.475 -2.700
42 HA CYS 7 HA CYS 7 -4.715 3.416 -2.407
43 1HB CYS 7 1HB CYS 7 -2.369 3.170 -2.238
44 2HB CYS 7 2HB CYS 7 -2.983 1.882 -1.206
45 H ASP 8 H ASP 8 -3.954 4.409 -4.413
46 HA ASP 8 HA ASP 8 -4.328 2.659 -6.827
47 1HB ASP 8 2HB ASP 8 -5.363 4.665 -7.858
48 2HB ASP 8 1HB ASP 8 -5.083 5.568 -6.369
49 H TYR 9 H TYR 9 -3.156 6.003 -6.261
50 HA TYR 9 HA TYR 9 -0.425 5.315 -7.113
51 1HB TYR 9 1HB TYR 9 -2.260 5.674 -9.087
52 2HB TYR 9 2HB TYR 9 -1.743 7.342 -8.848
53 HD1 TYR 9 HD1 TYR 9 0.869 7.707 -8.678
54 HD2 TYR 9 HD2 TYR 9 -1.003 4.286 -10.479
55 HE1 TYR 9 HE1 TYR 9 2.942 7.248 -9.958
56 HE2 TYR 9 HE2 TYR 9 1.070 3.827 -11.759
57 HH TYR 9 HH TYR 9 3.792 4.582 -11.184
58 H ASN 10 H ASN 10 -2.676 8.113 -6.991
59 HA ASN 10 HA ASN 10 -0.574 9.666 -5.528
60 1HB ASN 10 1HB ASN 10 -2.934 10.328 -7.290
61 2HB ASN 10 2HB ASN 10 -2.225 11.557 -6.245
62 2HD2 ASN 10 1HD2 ASN 10 -1.272 12.818 -7.956
63 1HD2 ASN 10 2HD2 ASN 10 -0.005 12.232 -8.922
64 H ASN 11 H ASN 11 -2.865 7.656 -4.557
65 HA ASN 11 HA ASN 11 -4.618 9.276 -2.908
66 1HB ASN 11 1HB ASN 11 -4.725 6.790 -3.838
67 2HB ASN 11 2HB ASN 11 -3.918 6.417 -2.315
68 2HD2 ASN 11 1HD2 ASN 11 -6.962 7.408 -3.753
69 1HD2 ASN 11 2HD2 ASN 11 -7.855 7.436 -2.310
70 H GLY 12 H GLY 12 -1.721 7.277 -2.186
71 1HA GLY 12 1HA GLY 12 -0.001 7.954 -0.631
72 2HA GLY 12 2HA GLY 12 -1.150 9.063 0.117
73 H CYS 13 H CYS 13 0.322 6.032 0.394
74 HA CYS 13 HA CYS 13 -1.796 4.680 1.909
75 1HB CYS 13 1HB CYS 13 1.035 4.204 1.066
76 2HB CYS 13 2HB CYS 13 0.437 3.275 2.438
77 H CYS 14 H CYS 14 -0.477 3.685 4.134
78 HA CYS 14 HA CYS 14 -0.618 5.889 6.013
79 1HB CYS 14 1HB CYS 14 -0.885 3.164 6.069
80 2HB CYS 14 2HB CYS 14 0.699 3.364 6.816
81 H SER 15 H SER 15 1.244 6.229 7.636
82 HA SER 15 HA SER 15 3.604 7.164 6.277
83 1HB SER 15 1HB SER 15 2.939 6.636 9.192
84 2HB SER 15 2HB SER 15 4.382 7.495 8.659
85 HG SER 15 HG SER 15 1.983 8.481 9.053
86 H GLY 16 H GLY 16 5.131 5.803 5.429
87 1HA GLY 16 1HA GLY 16 6.952 4.244 5.693
88 2HA GLY 16 2HA GLY 16 6.143 3.575 7.111
89 H TYR 17 H TYR 17 3.564 3.667 5.321
90 HA TYR 17 HA TYR 17 3.894 0.916 4.284
91 1HB TYR 17 1HB TYR 17 1.718 2.796 5.043
92 2HB TYR 17 2HB TYR 17 1.329 1.658 3.754
93 HD1 TYR 17 HD1 TYR 17 2.343 1.991 7.292
94 HD2 TYR 17 HD2 TYR 17 1.204 -0.726 4.166
95 HE1 TYR 17 HE1 TYR 17 2.039 0.188 8.968
96 HE2 TYR 17 HE2 TYR 17 0.901 -2.527 5.841
97 HH TYR 17 HH TYR 17 2.035 -2.881 8.385
98 H VAL 18 H VAL 18 3.865 0.400 2.088
99 HA VAL 18 HA VAL 18 3.969 2.692 0.166
100 HB VAL 18 HB VAL 18 4.737 -0.196 -0.315
101 1HG1 VAL 18 1HG1 VAL 18 5.057 2.400 -1.701
102 2HG1 VAL 18 2HG1 VAL 18 6.482 1.361 -1.700
103 3HG1 VAL 18 3HG1 VAL 18 4.960 0.770 -2.367
104 1HG2 VAL 18 1HG2 VAL 18 6.296 2.004 1.055
105 2HG2 VAL 18 2HG2 VAL 18 6.055 0.341 1.591
106 3HG2 VAL 18 3HG2 VAL 18 7.111 0.681 0.221
107 H CYS 19 H CYS 19 2.858 2.360 -1.936
108 HA CYS 19 HA CYS 19 0.233 1.018 -1.576
109 1HB CYS 19 1HB CYS 19 0.167 3.279 -2.368
110 2HB CYS 19 2HB CYS 19 1.427 2.970 -3.562
111 H SER 20 H SER 20 0.114 -1.091 -2.233
112 HA SER 20 HA SER 20 2.044 -2.259 -4.088
113 1HB SER 20 1HB SER 20 0.289 -3.127 -2.096
114 2HB SER 20 2HB SER 20 -0.398 -3.781 -3.577
115 HG SER 20 HG SER 20 1.425 -4.900 -3.942
116 H ARG 21 H ARG 21 1.875 -1.905 -6.259
117 HA ARG 21 HA ARG 21 -0.631 -1.080 -7.524
118 1HB ARG 21 1HB ARG 21 2.129 -1.836 -8.543
119 2HB ARG 21 2HB ARG 21 0.848 -1.186 -9.569
120 1HG ARG 21 1HG ARG 21 1.073 0.927 -8.738
121 2HG ARG 21 2HG ARG 21 1.384 0.357 -7.098
122 1HD ARG 21 1HD ARG 21 3.519 -0.282 -9.056
123 2HD ARG 21 2HD ARG 21 3.315 1.442 -8.690
124 HE ARG 21 HE ARG 21 3.628 0.914 -6.305
125 1HH1 ARG 21 1HH1 ARG 21 3.559 -1.177 -4.975
126 2HH1 ARG 21 2HH1 ARG 21 4.768 -2.329 -5.436
127 1HH2 ARG 21 1HH2 ARG 21 5.497 -0.768 -8.450
128 2HH2 ARG 21 2HH2 ARG 21 5.865 -2.098 -7.404
129 H THR 22 H THR 22 0.835 -4.092 -6.734
130 HA THR 22 HA THR 22 -0.475 -5.614 -8.907
131 HB THR 22 HB THR 22 1.149 -6.479 -6.489
132 HG1 THR 22 HG1 THR 22 2.693 -5.571 -7.570
133 1HG2 THR 22 1HG2 THR 22 -0.360 -8.123 -7.888
134 2HG2 THR 22 2HG2 THR 22 0.942 -7.987 -9.069
135 3HG2 THR 22 3HG2 THR 22 1.283 -8.588 -7.447
136 H TRP 23 H TRP 23 -0.637 -5.340 -5.331
137 HA TRP 23 HA TRP 23 -3.107 -7.003 -5.301
138 1HB TRP 23 2HB TRP 23 -2.707 -7.165 -2.964
139 2HB TRP 23 1HB TRP 23 -1.670 -5.745 -2.959
140 HD1 TRP 23 HD1 TRP 23 0.606 -6.649 -2.285
141 HE1 TRP 23 HE1 TRP 23 2.189 -8.479 -3.173
142 HE3 TRP 23 HE3 TRP 23 -2.429 -8.834 -5.766
143 HZ2 TRP 23 HZ2 TRP 23 2.171 -10.592 -5.100
144 HZ3 TRP 23 HZ3 TRP 23 -1.620 -10.752 -7.110
145 HH2 TRP 23 HH2 TRP 23 0.674 -11.633 -6.782
146 H LYS 24 H LYS 24 -2.198 -3.686 -5.327
147 HA LYS 24 HA LYS 24 -3.464 -1.717 -5.220
148 1HB LYS 24 1HB LYS 24 -5.812 -3.629 -5.025
149 2HB LYS 24 2HB LYS 24 -5.865 -1.947 -5.543
150 1HG LYS 24 1HG LYS 24 -4.355 -4.165 -6.963
151 2HG LYS 24 2HG LYS 24 -5.899 -3.491 -7.479
152 1HD LYS 24 1HD LYS 24 -3.499 -1.711 -7.061
153 2HD LYS 24 2HD LYS 24 -3.742 -2.564 -8.585
154 1HE LYS 24 1HE LYS 24 -6.172 -1.200 -7.625
155 2HE LYS 24 2HE LYS 24 -4.831 -0.097 -7.993
156 1HZ LYS 24 1HZ LYS 24 -5.762 -2.288 -9.776
157 2HZ LYS 24 2HZ LYS 24 -6.153 -0.647 -9.978
158 3HZ LYS 24 3HZ LYS 24 -4.540 -1.163 -10.121
159 H TRP 25 H TRP 25 -2.477 -3.024 -2.701
160 HA TRP 25 HA TRP 25 -4.283 -1.541 -0.859
161 1HB TRP 25 1HB TRP 25 -4.791 -3.381 0.422
162 2HB TRP 25 2HB TRP 25 -4.512 -4.219 -1.094
163 HD1 TRP 25 HD1 TRP 25 -2.150 -3.009 1.750
164 HE1 TRP 25 HE1 TRP 25 -0.573 -4.950 2.347
165 HE3 TRP 25 HE3 TRP 25 -3.901 -6.586 -1.439
166 HZ2 TRP 25 HZ2 TRP 25 -0.124 -7.665 1.602
167 HZ3 TRP 25 HZ3 TRP 25 -2.886 -8.846 -1.461
168 HH2 TRP 25 HH2 TRP 25 -1.004 -9.391 0.054
169 H CYS 26 H CYS 26 -3.174 -0.838 1.131
170 HA CYS 26 HA CYS 26 -0.426 -0.037 0.643
171 1HB CYS 26 1HB CYS 26 -2.278 0.110 3.038
172 2HB CYS 26 2HB CYS 26 -0.694 0.882 2.985
173 H VAL 27 H VAL 27 1.186 -1.563 0.770
174 HA VAL 27 HA VAL 27 1.074 -3.623 2.941
175 HB VAL 27 HB VAL 27 3.102 -3.603 0.722
176 1HG1 VAL 27 1HG1 VAL 27 2.854 -5.318 2.663
177 2HG1 VAL 27 2HG1 VAL 27 1.475 -5.922 1.745
178 3HG1 VAL 27 3HG1 VAL 27 3.086 -5.933 1.027
179 1HG2 VAL 27 1HG2 VAL 27 0.159 -3.841 0.381
180 2HG2 VAL 27 2HG2 VAL 27 1.393 -3.373 -0.785
181 3HG2 VAL 27 3HG2 VAL 27 1.130 -5.077 -0.417
182 H LEU 28 H LEU 28 3.039 -3.989 4.200
183 HA LEU 28 HA LEU 28 4.450 -1.517 4.889
184 1HB LEU 28 1HB LEU 28 3.641 -3.383 6.439
185 2HB LEU 28 2HB LEU 28 4.975 -4.356 5.817
186 HG LEU 28 HG LEU 28 6.506 -2.405 6.472
187 1HD1 LEU 28 1HD1 LEU 28 4.217 -1.020 6.832
188 2HD1 LEU 28 2HD1 LEU 28 4.451 -1.615 8.475
189 3HD1 LEU 28 3HD1 LEU 28 5.703 -0.643 7.703
190 1HD2 LEU 28 1HD2 LEU 28 4.988 -4.032 8.530
191 2HD2 LEU 28 2HD2 LEU 28 6.540 -4.418 7.786
192 3HD2 LEU 28 3HD2 LEU 28 6.417 -3.078 8.926
193 H ALA 29 H ALA 29 6.685 -1.113 4.553
194 HA ALA 29 HA ALA 29 7.877 -2.319 2.182
195 1HB ALA 29 1HB ALA 29 8.420 -0.139 4.130
196 2HB ALA 29 3HB ALA 29 8.506 -0.118 2.369
197 3HB ALA 29 2HB ALA 29 9.833 -0.800 3.308
198 H GLY 30 H GLY 30 8.121 -4.573 2.800
199 1HA GLY 30 1HA GLY 30 10.613 -5.098 4.281
200 2HA GLY 30 2HA GLY 30 9.158 -5.800 4.988
201 HA PRO 31 HA PRO 31 10.860 -8.647 1.703
202 1HB PRO 31 1HB PRO 31 11.294 -10.804 3.331
203 2HB PRO 31 2HB PRO 31 12.513 -9.548 3.036
204 1HG PRO 31 2HG PRO 31 12.402 -9.376 5.315
205 2HG PRO 31 1HG PRO 31 10.726 -9.939 5.377
206 1HD PRO 31 1HD PRO 31 10.237 -7.726 5.639
207 2HD PRO 31 2HD PRO 31 11.793 -7.207 4.957
208 H TRP 32 H TRP 32 8.319 -8.704 4.065
209 HA TRP 32 HA TRP 32 7.012 -11.169 3.495
210 1HB TRP 32 1HB TRP 32 6.322 -8.480 4.581
211 2HB TRP 32 2HB TRP 32 4.970 -9.491 4.079
212 HD1 TRP 32 HD1 TRP 32 8.168 -10.999 5.536
213 HE1 TRP 32 HE1 TRP 32 7.605 -12.104 7.795
214 HE3 TRP 32 HE3 TRP 32 3.330 -9.456 6.095
215 HZ2 TRP 32 HZ2 TRP 32 5.396 -12.305 9.603
216 HZ3 TRP 32 HZ3 TRP 32 2.023 -10.117 8.093
217 HH2 TRP 32 HH2 TRP 32 3.049 -11.538 9.846
No H/Q in entry = 217
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 0.839 9.381 8.176
2 H2 GLY 1 H2 GLY 1 1.873 10.228 7.132
3 H3 GLY 1 H3 GLY 1 0.194 10.276 6.883
4 1HA GLY 1 1HA GLY 1 1.215 8.799 5.286
5 2HA GLY 1 2HA GLY 1 1.935 7.883 6.609
6 H CYS 2 H CYS 2 -0.129 7.149 4.505
7 HA CYS 2 HA CYS 2 -2.385 6.377 6.320
8 1HB CYS 2 1HB CYS 2 -3.628 6.122 4.166
9 2HB CYS 2 2HB CYS 2 -2.984 7.748 4.382
10 H LEU 3 H LEU 3 -0.342 4.757 6.840
11 HA LEU 3 HA LEU 3 -0.169 2.466 5.008
12 1HB LEU 3 1HB LEU 3 1.553 3.532 6.714
13 2HB LEU 3 2HB LEU 3 0.745 2.478 7.873
14 HG LEU 3 HG LEU 3 1.715 1.394 5.233
15 1HD1 LEU 3 1HD1 LEU 3 3.306 2.181 7.627
16 2HD1 LEU 3 2HD1 LEU 3 3.689 0.627 6.887
17 3HD1 LEU 3 3HD1 LEU 3 3.787 2.106 5.933
18 1HD2 LEU 3 1HD2 LEU 3 0.911 0.315 7.926
19 2HD2 LEU 3 2HD2 LEU 3 0.390 -0.202 6.322
20 3HD2 LEU 3 3HD2 LEU 3 2.001 -0.621 6.903
21 H GLY 4 H GLY 4 -1.457 0.646 5.115
22 1HA GLY 4 1HA GLY 4 -2.554 -1.048 6.599
23 2HA GLY 4 2HA GLY 4 -3.179 0.304 7.542
24 H ASP 5 H ASP 5 -3.792 1.890 5.086
25 HA ASP 5 HA ASP 5 -6.510 1.122 4.685
26 1HB ASP 5 1HB ASP 5 -4.569 3.083 3.712
27 2HB ASP 5 2HB ASP 5 -5.707 2.605 2.452
28 H LYS 6 H LYS 6 -7.487 -0.173 3.113
29 HA LYS 6 HA LYS 6 -5.770 -2.067 1.667
30 1HB LYS 6 1HB LYS 6 -8.771 -1.631 1.810
31 2HB LYS 6 2HB LYS 6 -7.998 -3.018 1.043
32 1HG LYS 6 1HG LYS 6 -6.783 -3.272 3.361
33 2HG LYS 6 2HG LYS 6 -8.130 -2.301 3.958
34 1HD LYS 6 1HD LYS 6 -9.191 -4.309 2.220
35 2HD LYS 6 2HD LYS 6 -8.103 -5.096 3.362
36 1HE LYS 6 1HE LYS 6 -10.193 -3.099 4.276
37 2HE LYS 6 2HE LYS 6 -10.538 -4.833 4.140
38 1HZ LYS 6 1HZ LYS 6 -8.530 -5.246 5.502
39 2HZ LYS 6 2HZ LYS 6 -8.372 -3.573 5.741
40 3HZ LYS 6 3HZ LYS 6 -9.735 -4.391 6.340
41 H CYS 7 H CYS 7 -5.317 -2.026 -0.518
42 HA CYS 7 HA CYS 7 -6.524 0.195 -2.137
43 1HB CYS 7 1HB CYS 7 -4.346 -0.020 -3.429
44 2HB CYS 7 2HB CYS 7 -4.179 0.557 -1.774
45 H ASP 8 H ASP 8 -8.120 -0.757 -3.323
46 HA ASP 8 HA ASP 8 -7.382 -2.984 -5.156
47 1HB ASP 8 1HB ASP 8 -9.416 -3.022 -2.935
48 2HB ASP 8 2HB ASP 8 -9.676 -4.009 -4.373
49 H TYR 9 H TYR 9 -10.084 -0.887 -4.057
50 HA TYR 9 HA TYR 9 -11.486 -0.950 -6.590
51 1HB TYR 9 1HB TYR 9 -11.598 1.150 -4.399
52 2HB TYR 9 2HB TYR 9 -12.870 0.749 -5.550
53 HD1 TYR 9 HD1 TYR 9 -13.439 -1.912 -5.575
54 HD2 TYR 9 HD2 TYR 9 -11.837 0.292 -2.254
55 HE1 TYR 9 HE1 TYR 9 -14.301 -3.635 -4.013
56 HE2 TYR 9 HE2 TYR 9 -12.698 -1.429 -0.693
57 HH TYR 9 HH TYR 9 -13.299 -4.164 -1.126
58 H ASN 10 H ASN 10 -9.433 1.545 -5.032
59 HA ASN 10 HA ASN 10 -9.230 2.973 -7.646
60 1HB ASN 10 1HB ASN 10 -9.341 3.657 -4.825
61 2HB ASN 10 2HB ASN 10 -7.926 4.387 -5.584
62 2HD2 ASN 10 1HD2 ASN 10 -11.458 3.947 -6.239
63 1HD2 ASN 10 2HD2 ASN 10 -11.652 5.466 -6.973
64 H ASN 11 H ASN 11 -7.293 1.254 -5.228
65 HA ASN 11 HA ASN 11 -5.038 0.570 -5.233
66 1HB ASN 11 1HB ASN 11 -6.190 -0.146 -7.549
67 2HB ASN 11 2HB ASN 11 -4.967 0.945 -8.200
68 2HD2 ASN 11 1HD2 ASN 11 -2.774 0.226 -8.195
69 1HD2 ASN 11 2HD2 ASN 11 -2.293 -1.287 -7.593
70 H GLY 12 H GLY 12 -5.264 3.231 -4.590
71 1HA GLY 12 1HA GLY 12 -2.761 4.338 -5.685
72 2HA GLY 12 2HA GLY 12 -4.208 5.315 -5.945
73 H CYS 13 H CYS 13 -1.993 4.066 -3.539
74 HA CYS 13 HA CYS 13 -3.403 5.229 -1.251
75 1HB CYS 13 1HB CYS 13 -0.578 4.168 -1.589
76 2HB CYS 13 2HB CYS 13 -1.401 4.430 -0.053
77 H CYS 14 H CYS 14 -1.235 6.397 0.136
78 HA CYS 14 HA CYS 14 -1.223 9.090 -0.980
79 1HB CYS 14 1HB CYS 14 0.345 7.879 1.323
80 2HB CYS 14 2HB CYS 14 -0.004 9.590 1.082
81 H SER 15 H SER 15 1.011 10.276 -1.056
82 HA SER 15 HA SER 15 2.644 9.125 -3.118
83 1HB SER 15 1HB SER 15 4.102 11.099 -2.566
84 2HB SER 15 2HB SER 15 2.407 11.527 -2.769
85 HG SER 15 HG SER 15 4.006 11.533 -0.505
86 H GLY 16 H GLY 16 4.195 7.565 -2.902
87 1HA GLY 16 1HA GLY 16 6.236 6.701 -1.912
88 2HA GLY 16 2HA GLY 16 5.767 7.432 -0.378
89 H TYR 17 H TYR 17 2.923 6.325 -0.876
90 HA TYR 17 HA TYR 17 3.449 3.685 0.368
91 1HB TYR 17 1HB TYR 17 1.168 5.622 0.119
92 2HB TYR 17 2HB TYR 17 0.802 3.936 0.485
93 HD1 TYR 17 HD1 TYR 17 1.957 2.833 2.464
94 HD2 TYR 17 HD2 TYR 17 2.030 7.075 1.793
95 HE1 TYR 17 HE1 TYR 17 2.612 3.196 4.825
96 HE2 TYR 17 HE2 TYR 17 2.683 7.437 4.156
97 HH TYR 17 HH TYR 17 4.003 5.393 6.030
98 H VAL 18 H VAL 18 3.499 1.909 -0.926
99 HA VAL 18 HA VAL 18 2.172 1.998 -3.599
100 HB VAL 18 HB VAL 18 4.077 -0.059 -2.440
101 1HG1 VAL 18 1HG1 VAL 18 3.047 0.625 -5.180
102 2HG1 VAL 18 2HG1 VAL 18 4.627 -0.137 -4.999
103 3HG1 VAL 18 3HG1 VAL 18 3.181 -0.954 -4.406
104 1HG2 VAL 18 1HG2 VAL 18 4.635 2.566 -3.844
105 2HG2 VAL 18 2HG2 VAL 18 5.258 2.022 -2.287
106 3HG2 VAL 18 3HG2 VAL 18 5.818 1.260 -3.775
107 H CYS 19 H CYS 19 1.020 -0.024 -4.266
108 HA CYS 19 HA CYS 19 -0.716 -1.010 -2.076
109 1HB CYS 19 1HB CYS 19 -1.606 -0.133 -4.234
110 2HB CYS 19 2HB CYS 19 -0.773 -1.435 -5.084
111 H SER 20 H SER 20 0.176 -2.734 -0.976
112 HA SER 20 HA SER 20 2.066 -4.600 -2.083
113 1HB SER 20 1HB SER 20 2.227 -4.772 0.171
114 2HB SER 20 2HB SER 20 0.641 -4.050 0.400
115 HG SER 20 HG SER 20 0.098 -5.997 0.967
116 H ARG 21 H ARG 21 1.735 -6.720 -2.869
117 HA ARG 21 HA ARG 21 -0.953 -7.259 -3.989
118 1HB ARG 21 1HB ARG 21 1.773 -7.700 -4.683
119 2HB ARG 21 2HB ARG 21 1.024 -9.287 -4.515
120 1HG ARG 21 1HG ARG 21 -0.087 -7.014 -6.191
121 2HG ARG 21 2HG ARG 21 0.810 -8.392 -6.826
122 1HD ARG 21 1HD ARG 21 -1.690 -8.775 -5.159
123 2HD ARG 21 2HD ARG 21 -1.757 -8.573 -6.920
124 HE ARG 21 HE ARG 21 0.214 -10.555 -6.056
125 1HH1 ARG 21 1HH1 ARG 21 -1.248 -10.705 -8.651
126 2HH1 ARG 21 2HH1 ARG 21 -2.388 -11.976 -8.364
127 1HH2 ARG 21 1HH2 ARG 21 -2.040 -11.864 -4.907
128 2HH2 ARG 21 2HH2 ARG 21 -2.838 -12.635 -6.237
129 H THR 22 H THR 22 1.215 -8.552 -1.503
130 HA THR 22 HA THR 22 -0.263 -11.046 -1.145
131 HB THR 22 HB THR 22 1.731 -9.623 0.653
132 HG1 THR 22 HG1 THR 22 2.078 -11.472 -1.471
133 1HG2 THR 22 1HG2 THR 22 0.307 -11.610 1.516
134 2HG2 THR 22 2HG2 THR 22 1.274 -12.591 0.416
135 3HG2 THR 22 3HG2 THR 22 2.056 -11.696 1.719
136 H TRP 23 H TRP 23 0.020 -8.029 0.795
137 HA TRP 23 HA TRP 23 -2.283 -8.908 2.467
138 1HB TRP 23 1HB TRP 23 -0.817 -6.308 2.796
139 2HB TRP 23 2HB TRP 23 -1.511 -7.357 4.026
140 HD1 TRP 23 HD1 TRP 23 1.696 -6.267 2.972
141 HE1 TRP 23 HE1 TRP 23 3.550 -7.986 3.483
142 HE3 TRP 23 HE3 TRP 23 -1.157 -10.416 3.854
143 HZ2 TRP 23 HZ2 TRP 23 3.791 -10.751 4.180
144 HZ3 TRP 23 HZ3 TRP 23 -0.090 -12.573 4.444
145 HH2 TRP 23 HH2 TRP 23 2.378 -12.746 4.608
146 H LYS 24 H LYS 24 -1.592 -6.786 -0.191
147 HA LYS 24 HA LYS 24 -2.964 -5.355 -1.441
148 1HB LYS 24 1HB LYS 24 -5.103 -6.642 0.286
149 2HB LYS 24 2HB LYS 24 -5.399 -5.724 -1.188
150 1HG LYS 24 1HG LYS 24 -3.409 -7.682 -1.786
151 2HG LYS 24 2HG LYS 24 -4.724 -8.497 -0.939
152 1HD LYS 24 1HD LYS 24 -6.276 -7.150 -2.547
153 2HD LYS 24 2HD LYS 24 -4.819 -6.948 -3.520
154 1HE LYS 24 1HE LYS 24 -4.523 -9.436 -3.535
155 2HE LYS 24 2HE LYS 24 -6.065 -9.588 -2.669
156 1HZ LYS 24 1HZ LYS 24 -7.100 -8.253 -4.452
157 2HZ LYS 24 2HZ LYS 24 -5.633 -8.289 -5.310
158 3HZ LYS 24 3HZ LYS 24 -6.486 -9.729 -5.017
159 H TRP 25 H TRP 25 -1.762 -4.382 1.147
160 HA TRP 25 HA TRP 25 -3.737 -2.186 1.661
161 1HB TRP 25 1HB TRP 25 -3.386 -2.364 3.940
162 2HB TRP 25 2HB TRP 25 -3.096 -4.033 3.485
163 HD1 TRP 25 HD1 TRP 25 -0.799 -0.893 3.548
164 HE1 TRP 25 HE1 TRP 25 1.381 -1.530 4.751
165 HE3 TRP 25 HE3 TRP 25 -1.855 -5.720 4.792
166 HZ2 TRP 25 HZ2 TRP 25 2.521 -3.767 6.094
167 HZ3 TRP 25 HZ3 TRP 25 -0.207 -7.076 6.048
168 HH2 TRP 25 HH2 TRP 25 1.976 -6.109 6.703
169 H CYS 26 H CYS 26 -2.678 -0.077 2.250
170 HA CYS 26 HA CYS 26 -0.576 0.585 0.368
171 1HB CYS 26 2HB CYS 26 -0.812 2.818 1.409
172 2HB CYS 26 1HB CYS 26 -1.769 2.105 2.706
173 H VAL 27 H VAL 27 1.438 -0.292 0.795
174 HA VAL 27 HA VAL 27 2.549 -0.039 3.566
175 HB VAL 27 HB VAL 27 3.924 -1.578 1.395
176 1HG1 VAL 27 1HG1 VAL 27 3.685 -1.555 4.339
177 2HG1 VAL 27 2HG1 VAL 27 3.763 -3.161 3.616
178 3HG1 VAL 27 3HG1 VAL 27 5.055 -1.998 3.322
179 1HG2 VAL 27 1HG2 VAL 27 1.178 -2.169 2.396
180 2HG2 VAL 27 2HG2 VAL 27 1.930 -2.598 0.861
181 3HG2 VAL 27 3HG2 VAL 27 2.298 -3.528 2.314
182 H LEU 28 H LEU 28 4.853 0.665 3.701
183 HA LEU 28 HA LEU 28 5.386 3.056 2.185
184 1HB LEU 28 1HB LEU 28 6.466 1.532 4.400
185 2HB LEU 28 2HB LEU 28 7.775 2.088 3.358
186 HG LEU 28 HG LEU 28 5.563 3.931 4.282
187 1HD1 LEU 28 1HD1 LEU 28 7.496 2.713 5.933
188 2HD1 LEU 28 2HD1 LEU 28 8.094 4.343 5.625
189 3HD1 LEU 28 3HD1 LEU 28 6.492 4.109 6.324
190 1HD2 LEU 28 1HD2 LEU 28 6.997 4.550 2.304
191 2HD2 LEU 28 2HD2 LEU 28 7.137 5.673 3.656
192 3HD2 LEU 28 3HD2 LEU 28 8.404 4.481 3.365
193 H ALA 29 H ALA 29 6.954 3.406 0.520
194 HA ALA 29 HA ALA 29 7.462 1.085 -1.222
195 1HB ALA 29 2HB ALA 29 8.337 2.891 -2.725
196 2HB ALA 29 1HB ALA 29 8.089 4.051 -1.420
197 3HB ALA 29 3HB ALA 29 6.708 3.222 -2.139
198 H GLY 30 H GLY 30 8.913 0.237 0.720
199 1HA GLY 30 1HA GLY 30 11.603 1.442 0.799
200 2HA GLY 30 2HA GLY 30 11.065 0.045 1.733
201 HA PRO 31 HA PRO 31 12.976 -2.596 -1.204
202 1HB PRO 31 1HB PRO 31 11.344 -4.790 -1.137
203 2HB PRO 31 2HB PRO 31 12.436 -4.360 0.194
204 1HG PRO 31 2HG PRO 31 10.477 -4.362 1.371
205 2HG PRO 31 1HG PRO 31 9.505 -3.962 -0.052
206 1HD PRO 31 1HD PRO 31 9.497 -1.855 0.815
207 2HD PRO 31 2HD PRO 31 10.910 -2.178 1.844
208 H TRP 32 H TRP 32 12.047 -4.304 -3.094
209 HA TRP 32 HA TRP 32 10.799 -2.537 -5.071
210 1HB TRP 32 1HB TRP 32 11.660 -5.450 -5.106
211 2HB TRP 32 2HB TRP 32 11.151 -4.546 -6.531
212 HD1 TRP 32 HD1 TRP 32 12.605 -2.017 -6.657
213 HE1 TRP 32 HE1 TRP 32 15.171 -1.783 -6.556
214 HE3 TRP 32 HE3 TRP 32 13.809 -6.451 -4.427
215 HZ2 TRP 32 HZ2 TRP 32 17.434 -3.280 -5.651
216 HZ3 TRP 32 HZ3 TRP 32 16.174 -7.021 -3.959
217 HH2 TRP 32 HH2 TRP 32 17.987 -5.443 -4.567
No H/Q in entry = 217
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -10.532 -5.841 6.249
2 H2 GLY 1 H2 GLY 1 -10.213 -7.455 5.822
3 H3 GLY 1 H3 GLY 1 -9.643 -6.835 7.297
4 1HA GLY 1 1HA GLY 1 -8.141 -5.356 6.175
5 2HA GLY 1 2HA GLY 1 -7.874 -7.011 5.626
6 H CYS 2 H CYS 2 -7.904 -4.034 4.420
7 HA CYS 2 HA CYS 2 -9.505 -4.654 1.975
8 1HB CYS 2 1HB CYS 2 -9.263 -2.233 1.562
9 2HB CYS 2 2HB CYS 2 -9.869 -2.523 3.190
10 H LEU 3 H LEU 3 -7.385 -6.275 1.921
11 HA LEU 3 HA LEU 3 -4.945 -5.124 0.841
12 1HB LEU 3 1HB LEU 3 -5.148 -7.282 2.080
13 2HB LEU 3 2HB LEU 3 -6.068 -7.944 0.730
14 HG LEU 3 HG LEU 3 -3.700 -6.790 -0.351
15 1HD1 LEU 3 1HD1 LEU 3 -3.254 -8.543 2.079
16 2HD1 LEU 3 2HD1 LEU 3 -2.028 -8.274 0.840
17 3HD1 LEU 3 3HD1 LEU 3 -2.624 -6.920 1.800
18 1HD2 LEU 3 1HD2 LEU 3 -5.056 -8.734 -1.190
19 2HD2 LEU 3 2HD2 LEU 3 -3.324 -9.058 -1.137
20 3HD2 LEU 3 3HD2 LEU 3 -4.381 -9.709 0.115
21 H GLY 4 H GLY 4 -4.943 -4.162 -1.158
22 1HA GLY 4 1HA GLY 4 -4.968 -4.989 -3.614
23 2HA GLY 4 2HA GLY 4 -6.669 -5.329 -3.301
24 H ASP 5 H ASP 5 -6.700 -2.798 -1.524
25 HA ASP 5 HA ASP 5 -7.828 -0.984 -3.400
26 1HB ASP 5 1HB ASP 5 -6.735 -0.831 -0.598
27 2HB ASP 5 2HB ASP 5 -7.271 0.645 -1.403
28 H LYS 6 H LYS 6 -6.819 0.248 -4.932
29 HA LYS 6 HA LYS 6 -3.947 0.412 -5.175
30 1HB LYS 6 1HB LYS 6 -6.385 1.425 -6.537
31 2HB LYS 6 2HB LYS 6 -4.909 2.348 -6.820
32 1HG LYS 6 1HG LYS 6 -3.772 0.123 -7.340
33 2HG LYS 6 2HG LYS 6 -5.386 -0.589 -7.361
34 1HD LYS 6 1HD LYS 6 -5.070 -0.038 -9.612
35 2HD LYS 6 2HD LYS 6 -5.946 1.369 -9.009
36 1HE LYS 6 1HE LYS 6 -3.472 2.244 -8.488
37 2HE LYS 6 2HE LYS 6 -3.070 1.133 -9.811
38 1HZ LYS 6 1HZ LYS 6 -4.825 2.150 -11.143
39 2HZ LYS 6 2HZ LYS 6 -5.173 3.238 -9.885
40 3HZ LYS 6 3HZ LYS 6 -3.674 3.307 -10.682
41 H CYS 7 H CYS 7 -2.544 1.959 -4.431
42 HA CYS 7 HA CYS 7 -3.697 4.378 -3.073
43 1HB CYS 7 1HB CYS 7 -2.732 2.639 -1.567
44 2HB CYS 7 2HB CYS 7 -1.196 2.779 -2.422
45 H ASP 8 H ASP 8 -2.616 6.357 -3.487
46 HA ASP 8 HA ASP 8 -0.330 6.267 -5.423
47 1HB ASP 8 1HB ASP 8 -1.480 8.201 -6.581
48 2HB ASP 8 2HB ASP 8 -2.346 6.672 -6.695
49 H TYR 9 H TYR 9 -2.189 8.359 -3.175
50 HA TYR 9 HA TYR 9 0.229 9.353 -1.901
51 1HB TYR 9 1HB TYR 9 -0.408 10.496 -4.342
52 2HB TYR 9 2HB TYR 9 -1.167 11.603 -3.199
53 HD1 TYR 9 HD1 TYR 9 0.230 12.568 -1.308
54 HD2 TYR 9 HD2 TYR 9 1.951 10.453 -4.628
55 HE1 TYR 9 HE1 TYR 9 2.447 13.548 -0.784
56 HE2 TYR 9 HE2 TYR 9 4.168 11.433 -4.103
57 HH TYR 9 HH TYR 9 5.142 12.499 -1.523
58 H ASN 10 H ASN 10 -3.087 10.468 -2.708
59 HA ASN 10 HA ASN 10 -3.534 11.078 0.187
60 1HB ASN 10 2HB ASN 10 -3.809 12.860 -1.542
61 2HB ASN 10 1HB ASN 10 -5.308 12.535 -0.675
62 2HD2 ASN 10 1HD2 ASN 10 -7.110 11.851 -1.917
63 1HD2 ASN 10 2HD2 ASN 10 -7.039 11.509 -3.578
64 H ASN 11 H ASN 11 -3.763 8.346 -1.286
65 HA ASN 11 HA ASN 11 -6.596 7.685 -1.302
66 1HB ASN 11 1HB ASN 11 -4.931 6.535 -2.684
67 2HB ASN 11 2HB ASN 11 -4.049 6.029 -1.243
68 2HD2 ASN 11 1HD2 ASN 11 -4.715 4.089 -0.244
69 1HD2 ASN 11 2HD2 ASN 11 -6.112 3.229 -0.678
70 H GLY 12 H GLY 12 -3.923 6.580 0.846
71 1HA GLY 12 1HA GLY 12 -3.963 6.384 3.215
72 2HA GLY 12 2HA GLY 12 -5.658 6.873 3.203
73 H CYS 13 H CYS 13 -3.526 4.217 3.405
74 HA CYS 13 HA CYS 13 -5.429 2.157 2.535
75 1HB CYS 13 1HB CYS 13 -2.746 2.187 3.944
76 2HB CYS 13 2HB CYS 13 -3.604 0.692 3.572
77 H CYS 14 H CYS 14 -5.708 0.277 4.288
78 HA CYS 14 HA CYS 14 -7.323 1.374 6.450
79 1HB CYS 14 1HB CYS 14 -6.378 -1.424 5.745
80 2HB CYS 14 2HB CYS 14 -7.609 -1.066 6.955
81 H SER 15 H SER 15 -6.954 0.383 8.750
82 HA SER 15 HA SER 15 -4.434 1.318 9.784
83 1HB SER 15 1HB SER 15 -6.752 -0.302 10.854
84 2HB SER 15 2HB SER 15 -5.358 0.077 11.863
85 HG SER 15 HG SER 15 -6.893 1.690 12.107
86 H GLY 16 H GLY 16 -2.510 0.265 9.591
87 1HA GLY 16 1HA GLY 16 -1.082 -1.640 10.098
88 2HA GLY 16 2HA GLY 16 -2.467 -2.704 9.852
89 H TYR 17 H TYR 17 -3.154 -1.047 7.351
90 HA TYR 17 HA TYR 17 -1.470 -2.621 5.494
91 1HB TYR 17 1HB TYR 17 -4.023 -1.044 5.419
92 2HB TYR 17 2HB TYR 17 -3.176 -1.337 3.902
93 HD1 TYR 17 HD1 TYR 17 -2.855 -3.623 3.050
94 HD2 TYR 17 HD2 TYR 17 -5.028 -2.869 6.678
95 HE1 TYR 17 HE1 TYR 17 -3.773 -5.924 2.979
96 HE2 TYR 17 HE2 TYR 17 -5.946 -5.170 6.606
97 HH TYR 17 HH TYR 17 -4.844 -7.546 5.251
98 H VAL 18 H VAL 18 -0.140 -1.648 3.894
99 HA VAL 18 HA VAL 18 0.327 1.305 4.171
100 HB VAL 18 HB VAL 18 2.764 0.734 3.877
101 1HG1 VAL 18 1HG1 VAL 18 1.652 1.062 6.122
102 2HG1 VAL 18 2HG1 VAL 18 1.500 -0.691 6.232
103 3HG1 VAL 18 3HG1 VAL 18 3.097 0.053 6.165
104 1HG2 VAL 18 1HG2 VAL 18 2.237 -1.529 2.808
105 2HG2 VAL 18 2HG2 VAL 18 3.511 -1.541 4.027
106 3HG2 VAL 18 3HG2 VAL 18 1.894 -2.115 4.436
107 H CYS 19 H CYS 19 1.004 2.360 2.223
108 HA CYS 19 HA CYS 19 -0.021 1.209 -0.244
109 1HB CYS 19 1HB CYS 19 1.629 3.684 0.381
110 2HB CYS 19 2HB CYS 19 0.852 3.368 -1.170
111 H SER 20 H SER 20 1.166 -0.557 -0.992
112 HA SER 20 HA SER 20 4.063 -0.729 -0.834
113 1HB SER 20 1HB SER 20 2.636 -2.699 -0.833
114 2HB SER 20 2HB SER 20 1.934 -2.239 -2.381
115 HG SER 20 HG SER 20 3.532 -3.741 -2.766
116 H ARG 21 H ARG 21 5.570 -0.140 -2.381
117 HA ARG 21 HA ARG 21 4.678 1.544 -4.627
118 1HB ARG 21 1HB ARG 21 6.821 1.492 -2.906
119 2HB ARG 21 2HB ARG 21 7.522 0.786 -4.361
120 1HG ARG 21 1HG ARG 21 5.828 3.169 -4.815
121 2HG ARG 21 2HG ARG 21 7.321 3.469 -3.926
122 1HD ARG 21 1HD ARG 21 7.586 1.711 -6.311
123 2HD ARG 21 2HD ARG 21 7.229 3.419 -6.637
124 HE ARG 21 HE ARG 21 9.522 2.520 -4.927
125 1HH1 ARG 21 1HH1 ARG 21 8.610 5.404 -4.767
126 2HH1 ARG 21 2HH1 ARG 21 9.670 6.167 -5.905
127 1HH2 ARG 21 1HH2 ARG 21 10.625 3.186 -7.416
128 2HH2 ARG 21 2HH2 ARG 21 10.814 4.908 -7.410
129 H THR 22 H THR 22 5.874 -1.730 -4.125
130 HA THR 22 HA THR 22 6.633 -2.255 -6.881
131 HB THR 22 HB THR 22 5.815 -4.176 -4.675
132 HG1 THR 22 HG1 THR 22 7.507 -3.477 -3.682
133 1HG2 THR 22 1HG2 THR 22 6.182 -5.009 -7.070
134 2HG2 THR 22 2HG2 THR 22 7.874 -4.561 -6.852
135 3HG2 THR 22 3HG2 THR 22 7.145 -5.785 -5.813
136 H TRP 23 H TRP 23 3.721 -3.021 -4.922
137 HA TRP 23 HA TRP 23 2.318 -3.943 -7.391
138 1HB TRP 23 2HB TRP 23 0.752 -4.921 -5.835
139 2HB TRP 23 1HB TRP 23 1.443 -4.024 -4.490
140 HD1 TRP 23 HD1 TRP 23 2.364 -5.954 -3.065
141 HE1 TRP 23 HE1 TRP 23 4.156 -7.772 -3.430
142 HE3 TRP 23 HE3 TRP 23 3.181 -5.401 -8.079
143 HZ2 TRP 23 HZ2 TRP 23 5.725 -8.852 -5.567
144 HZ3 TRP 23 HZ3 TRP 23 4.824 -6.836 -9.251
145 HH2 TRP 23 HH2 TRP 23 6.096 -8.560 -8.004
146 H LYS 24 H LYS 24 2.536 -1.172 -5.357
147 HA LYS 24 HA LYS 24 1.374 0.865 -5.350
148 1HB LYS 24 1HB LYS 24 0.207 -0.354 -7.874
149 2HB LYS 24 2HB LYS 24 0.096 1.346 -7.422
150 1HG LYS 24 1HG LYS 24 2.827 0.657 -7.182
151 2HG LYS 24 2HG LYS 24 2.280 -0.043 -8.705
152 1HD LYS 24 1HD LYS 24 1.101 2.500 -8.633
153 2HD LYS 24 2HD LYS 24 2.737 2.748 -8.026
154 1HE LYS 24 1HE LYS 24 2.850 0.951 -10.279
155 2HE LYS 24 2HE LYS 24 1.954 2.412 -10.736
156 1HZ LYS 24 1HZ LYS 24 4.576 2.367 -9.332
157 2HZ LYS 24 2HZ LYS 24 4.348 2.738 -10.975
158 3HZ LYS 24 3HZ LYS 24 3.713 3.759 -9.774
159 H TRP 25 H TRP 25 0.188 -1.497 -3.911
160 HA TRP 25 HA TRP 25 -2.541 -0.355 -3.655
161 1HB TRP 25 1HB TRP 25 -3.649 -2.290 -4.240
162 2HB TRP 25 2HB TRP 25 -2.214 -2.505 -5.225
163 HD1 TRP 25 HD1 TRP 25 -3.001 -3.341 -1.507
164 HE1 TRP 25 HE1 TRP 25 -2.259 -5.763 -1.069
165 HE3 TRP 25 HE3 TRP 25 -1.356 -4.611 -6.162
166 HZ2 TRP 25 HZ2 TRP 25 -1.141 -7.963 -2.502
167 HZ3 TRP 25 HZ3 TRP 25 -0.470 -6.882 -6.599
168 HH2 TRP 25 HH2 TRP 25 -0.361 -8.559 -4.780
169 H CYS 26 H CYS 26 -3.574 -0.993 -1.565
170 HA CYS 26 HA CYS 26 -1.756 -0.745 0.644
171 1HB CYS 26 1HB CYS 26 -4.665 -1.584 0.484
172 2HB CYS 26 2HB CYS 26 -3.841 -1.098 1.965
173 H VAL 27 H VAL 27 -0.337 -2.403 1.094
174 HA VAL 27 HA VAL 27 -1.449 -5.189 1.319
175 HB VAL 27 HB VAL 27 1.490 -4.655 1.069
176 1HG1 VAL 27 1HG1 VAL 27 -0.480 -6.754 0.172
177 2HG1 VAL 27 2HG1 VAL 27 1.148 -6.686 -0.503
178 3HG1 VAL 27 3HG1 VAL 27 0.920 -6.938 1.227
179 1HG2 VAL 27 1HG2 VAL 27 -0.535 -4.148 -1.097
180 2HG2 VAL 27 2HG2 VAL 27 0.914 -3.231 -0.701
181 3HG2 VAL 27 3HG2 VAL 27 1.053 -4.789 -1.515
182 H LEU 28 H LEU 28 -0.076 -6.501 3.005
183 HA LEU 28 HA LEU 28 -0.191 -5.114 5.559
184 1HB LEU 28 1HB LEU 28 -0.305 -7.714 4.648
185 2HB LEU 28 2HB LEU 28 1.296 -7.658 5.382
186 HG LEU 28 HG LEU 28 -0.413 -8.341 7.030
187 1HD1 LEU 28 1HD1 LEU 28 1.613 -6.764 7.541
188 2HD1 LEU 28 2HD1 LEU 28 0.371 -5.533 7.771
189 3HD1 LEU 28 3HD1 LEU 28 0.369 -6.986 8.771
190 1HD2 LEU 28 1HD2 LEU 28 -2.229 -6.933 5.850
191 2HD2 LEU 28 2HD2 LEU 28 -2.259 -6.967 7.612
192 3HD2 LEU 28 3HD2 LEU 28 -1.592 -5.570 6.770
193 H ALA 29 H ALA 29 1.453 -4.033 6.584
194 HA ALA 29 HA ALA 29 3.960 -3.481 5.278
195 1HB ALA 29 2HB ALA 29 3.666 -3.148 8.226
196 2HB ALA 29 1HB ALA 29 2.473 -2.331 7.216
197 3HB ALA 29 3HB ALA 29 4.189 -1.981 7.012
198 H GLY 30 H GLY 30 5.750 -4.762 5.212
199 1HA GLY 30 1HA GLY 30 6.451 -6.444 7.542
200 2HA GLY 30 2HA GLY 30 6.189 -7.288 6.015
201 HA PRO 31 HA PRO 31 10.521 -5.348 6.333
202 1HB PRO 31 1HB PRO 31 11.959 -7.514 7.193
203 2HB PRO 31 2HB PRO 31 11.260 -6.315 8.298
204 1HG PRO 31 2HG PRO 31 10.240 -8.188 9.139
205 2HG PRO 31 1HG PRO 31 10.275 -9.027 7.580
206 1HD PRO 31 1HD PRO 31 8.076 -8.421 7.483
207 2HD PRO 31 2HD PRO 31 8.291 -7.103 8.655
208 H TRP 32 H TRP 32 12.257 -5.884 4.812
209 HA TRP 32 HA TRP 32 13.039 -6.661 2.730
210 1HB TRP 32 1HB TRP 32 11.836 -9.153 3.977
211 2HB TRP 32 2HB TRP 32 12.812 -9.186 2.512
212 HD1 TRP 32 HD1 TRP 32 14.748 -6.740 3.733
213 HE1 TRP 32 HE1 TRP 32 16.590 -7.463 5.385
214 HE3 TRP 32 HE3 TRP 32 12.919 -11.289 5.162
215 HZ2 TRP 32 HZ2 TRP 32 17.209 -9.677 7.084
216 HZ3 TRP 32 HZ3 TRP 32 14.156 -12.683 6.795
217 HH2 TRP 32 HH2 TRP 32 16.295 -11.884 7.757
No H/Q in entry = 217
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -4.633 -7.574 9.157
2 H2 GLY 1 H2 GLY 1 -4.568 -9.208 8.696
3 H3 GLY 1 H3 GLY 1 -3.414 -8.579 9.773
4 1HA GLY 1 1HA GLY 1 -2.176 -7.645 8.161
5 2HA GLY 1 2HA GLY 1 -2.953 -8.890 7.182
6 H CYS 2 H CYS 2 -2.047 -6.104 6.475
7 HA CYS 2 HA CYS 2 -4.655 -4.843 5.734
8 1HB CYS 2 1HB CYS 2 -1.783 -3.873 5.765
9 2HB CYS 2 2HB CYS 2 -3.155 -2.887 5.259
10 H LEU 3 H LEU 3 -2.781 -7.130 4.356
11 HA LEU 3 HA LEU 3 -2.177 -6.064 1.741
12 1HB LEU 3 1HB LEU 3 -1.380 -8.206 3.034
13 2HB LEU 3 2HB LEU 3 -2.814 -8.951 2.327
14 HG LEU 3 HG LEU 3 -1.473 -7.464 0.275
15 1HD1 LEU 3 1HD1 LEU 3 0.538 -7.698 1.707
16 2HD1 LEU 3 2HD1 LEU 3 0.293 -9.445 1.746
17 3HD1 LEU 3 3HD1 LEU 3 0.682 -8.643 0.224
18 1HD2 LEU 3 1HD2 LEU 3 -2.327 -10.253 0.864
19 2HD2 LEU 3 2HD2 LEU 3 -2.648 -9.255 -0.554
20 3HD2 LEU 3 3HD2 LEU 3 -1.090 -10.064 -0.379
21 H GLY 4 H GLY 4 -3.999 -5.045 0.824
22 1HA GLY 4 1HA GLY 4 -5.722 -5.974 -0.901
23 2HA GLY 4 2HA GLY 4 -6.471 -6.692 0.524
24 H ASP 5 H ASP 5 -5.600 -4.187 2.096
25 HA ASP 5 HA ASP 5 -8.065 -2.740 1.935
26 1HB ASP 5 1HB ASP 5 -5.425 -2.544 3.268
27 2HB ASP 5 2HB ASP 5 -6.283 -1.013 3.099
28 H LYS 6 H LYS 6 -8.695 -1.186 0.485
29 HA LYS 6 HA LYS 6 -6.934 -0.342 -1.676
30 1HB LYS 6 1HB LYS 6 -9.739 -0.291 -0.951
31 2HB LYS 6 2HB LYS 6 -9.244 1.291 -1.554
32 1HG LYS 6 1HG LYS 6 -8.200 0.144 -3.530
33 2HG LYS 6 2HG LYS 6 -8.891 -1.373 -2.955
34 1HD LYS 6 1HD LYS 6 -10.927 -0.854 -3.774
35 2HD LYS 6 2HD LYS 6 -10.889 0.745 -3.032
36 1HE LYS 6 1HE LYS 6 -9.187 0.252 -5.463
37 2HE LYS 6 2HE LYS 6 -10.926 0.536 -5.670
38 1HZ LYS 6 1HZ LYS 6 -10.735 2.525 -4.308
39 2HZ LYS 6 2HZ LYS 6 -9.067 2.262 -4.114
40 3HZ LYS 6 3HZ LYS 6 -9.699 2.629 -5.647
41 H CYS 7 H CYS 7 -6.396 1.934 -2.130
42 HA CYS 7 HA CYS 7 -5.364 3.340 0.198
43 1HB CYS 7 1HB CYS 7 -4.987 3.267 -2.605
44 2HB CYS 7 2HB CYS 7 -5.489 4.916 -2.231
45 H ASP 8 H ASP 8 -6.010 5.510 0.867
46 HA ASP 8 HA ASP 8 -8.805 6.267 0.074
47 1HB ASP 8 1HB ASP 8 -7.521 5.837 2.767
48 2HB ASP 8 2HB ASP 8 -8.889 6.940 2.611
49 H TYR 9 H TYR 9 -6.211 7.593 2.185
50 HA TYR 9 HA TYR 9 -5.797 9.902 0.431
51 1HB TYR 9 1HB TYR 9 -8.008 10.316 1.538
52 2HB TYR 9 2HB TYR 9 -7.196 10.257 3.102
53 HD1 TYR 9 HD1 TYR 9 -5.561 11.995 3.743
54 HD2 TYR 9 HD2 TYR 9 -7.743 12.207 0.049
55 HE1 TYR 9 HE1 TYR 9 -4.925 14.378 3.506
56 HE2 TYR 9 HE2 TYR 9 -7.106 14.591 -0.190
57 HH TYR 9 HH TYR 9 -4.797 16.003 1.011
58 H ASN 10 H ASN 10 -5.542 8.903 3.882
59 HA ASN 10 HA ASN 10 -2.869 10.190 4.052
60 1HB ASN 10 1HB ASN 10 -5.075 9.778 5.759
61 2HB ASN 10 2HB ASN 10 -3.789 8.763 6.409
62 2HD2 ASN 10 1HD2 ASN 10 -4.739 11.152 7.751
63 1HD2 ASN 10 2HD2 ASN 10 -3.463 12.272 7.772
64 H ASN 11 H ASN 11 -3.788 7.317 2.828
65 HA ASN 11 HA ASN 11 -2.727 5.233 2.551
66 1HB ASN 11 1HB ASN 11 -0.871 7.151 2.398
67 2HB ASN 11 2HB ASN 11 -0.282 6.360 3.859
68 2HD2 ASN 11 1HD2 ASN 11 0.326 6.359 0.658
69 1HD2 ASN 11 2HD2 ASN 11 0.728 4.728 0.415
70 H GLY 12 H GLY 12 -4.278 4.714 4.463
71 1HA GLY 12 1HA GLY 12 -2.946 4.288 7.057
72 2HA GLY 12 2HA GLY 12 -4.641 3.962 6.697
73 H CYS 13 H CYS 13 -1.471 2.800 5.479
74 HA CYS 13 HA CYS 13 -2.585 0.070 5.163
75 1HB CYS 13 1HB CYS 13 0.090 1.382 4.566
76 2HB CYS 13 2HB CYS 13 -0.275 -0.302 4.194
77 H CYS 14 H CYS 14 -0.853 -1.714 5.921
78 HA CYS 14 HA CYS 14 -0.695 -1.525 8.827
79 1HB CYS 14 1HB CYS 14 -0.269 -3.498 6.670
80 2HB CYS 14 2HB CYS 14 0.748 -3.743 8.088
81 H SER 15 H SER 15 1.554 -2.379 9.787
82 HA SER 15 HA SER 15 3.498 -0.280 9.398
83 1HB SER 15 1HB SER 15 3.386 -2.919 10.865
84 2HB SER 15 2HB SER 15 4.843 -1.928 10.888
85 HG SER 15 HG SER 15 2.475 -1.603 12.196
86 H GLY 16 H GLY 16 4.707 -0.172 7.539
87 1HA GLY 16 1HA GLY 16 6.567 -0.950 6.211
88 2HA GLY 16 2HA GLY 16 6.170 -2.606 6.667
89 H TYR 17 H TYR 17 3.221 -1.408 5.977
90 HA TYR 17 HA TYR 17 3.266 -2.514 3.230
91 1HB TYR 17 1HB TYR 17 1.307 -1.975 5.404
92 2HB TYR 17 2HB TYR 17 0.681 -1.862 3.760
93 HD1 TYR 17 HD1 TYR 17 3.140 -4.086 5.538
94 HD2 TYR 17 HD2 TYR 17 -0.342 -3.818 3.035
95 HE1 TYR 17 HE1 TYR 17 3.047 -6.559 5.400
96 HE2 TYR 17 HE2 TYR 17 -0.434 -6.290 2.899
97 HH TYR 17 HH TYR 17 0.876 -8.287 4.894
98 H VAL 18 H VAL 18 2.970 -1.249 1.394
99 HA VAL 18 HA VAL 18 2.478 1.687 1.813
100 HB VAL 18 HB VAL 18 4.168 0.380 -0.337
101 1HG1 VAL 18 1HG1 VAL 18 3.574 3.177 0.544
102 2HG1 VAL 18 2HG1 VAL 18 5.176 2.823 -0.103
103 3HG1 VAL 18 3HG1 VAL 18 3.743 2.528 -1.087
104 1HG2 VAL 18 1HG2 VAL 18 4.889 1.339 2.436
105 2HG2 VAL 18 2HG2 VAL 18 5.322 -0.183 1.657
106 3HG2 VAL 18 3HG2 VAL 18 6.085 1.321 1.138
107 H CYS 19 H CYS 19 1.522 2.753 -0.142
108 HA CYS 19 HA CYS 19 -0.641 1.107 -1.279
109 1HB CYS 19 1HB CYS 19 -0.784 3.493 -0.353
110 2HB CYS 19 2HB CYS 19 0.036 4.006 -1.828
111 H SER 20 H SER 20 -0.326 0.002 -3.160
112 HA SER 20 HA SER 20 1.927 0.625 -4.943
113 1HB SER 20 1HB SER 20 0.089 -1.548 -4.354
114 2HB SER 20 2HB SER 20 0.247 -1.308 -6.091
115 HG SER 20 HG SER 20 1.865 -2.693 -5.291
116 H ARG 21 H ARG 21 1.499 0.799 -7.345
117 HA ARG 21 HA ARG 21 -0.607 2.817 -7.852
118 1HB ARG 21 1HB ARG 21 1.913 1.822 -9.109
119 2HB ARG 21 2HB ARG 21 0.728 2.584 -10.169
120 1HG ARG 21 1HG ARG 21 0.969 4.154 -7.776
121 2HG ARG 21 2HG ARG 21 2.580 3.862 -8.430
122 1HD ARG 21 2HD ARG 21 1.443 4.498 -10.733
123 2HD ARG 21 1HD ARG 21 1.909 5.790 -9.608
124 HE ARG 21 HE ARG 21 -0.815 4.644 -9.299
125 1HH1 ARG 21 1HH1 ARG 21 0.115 7.299 -8.167
126 2HH1 ARG 21 2HH1 ARG 21 -0.634 8.419 -9.255
127 1HH2 ARG 21 1HH2 ARG 21 -1.292 6.028 -11.685
128 2HH2 ARG 21 2HH2 ARG 21 -1.431 7.698 -11.250
129 H THR 22 H THR 22 0.045 -0.569 -8.577
130 HA THR 22 HA THR 22 -1.583 -0.890 -10.901
131 HB THR 22 HB THR 22 -1.009 -2.856 -8.655
132 HG1 THR 22 HG1 THR 22 0.961 -2.665 -9.292
133 1HG2 THR 22 1HG2 THR 22 -1.753 -3.177 -11.570
134 2HG2 THR 22 2HG2 THR 22 -1.105 -4.491 -10.586
135 3HG2 THR 22 3HG2 THR 22 -2.651 -3.751 -10.166
136 H TRP 23 H TRP 23 -2.596 -2.412 -7.842
137 HA TRP 23 HA TRP 23 -5.414 -1.809 -8.500
138 1HB TRP 23 1HB TRP 23 -4.251 -3.321 -6.141
139 2HB TRP 23 2HB TRP 23 -5.883 -3.449 -6.786
140 HD1 TRP 23 HD1 TRP 23 -2.803 -5.281 -6.802
141 HE1 TRP 23 HE1 TRP 23 -2.600 -6.829 -8.854
142 HE3 TRP 23 HE3 TRP 23 -6.495 -3.335 -9.748
143 HZ2 TRP 23 HZ2 TRP 23 -3.842 -7.195 -11.408
144 HZ3 TRP 23 HZ3 TRP 23 -6.964 -4.302 -11.981
145 HH2 TRP 23 HH2 TRP 23 -5.644 -6.228 -12.814
146 H LYS 24 H LYS 24 -3.056 -0.049 -6.975
147 HA LYS 24 HA LYS 24 -3.072 1.665 -5.361
148 1HB LYS 24 1HB LYS 24 -5.845 1.510 -6.510
149 2HB LYS 24 2HB LYS 24 -5.504 2.665 -5.221
150 1HG LYS 24 1HG LYS 24 -3.567 3.514 -6.584
151 2HG LYS 24 2HG LYS 24 -4.099 2.466 -7.900
152 1HD LYS 24 2HD LYS 24 -6.429 3.764 -7.201
153 2HD LYS 24 1HD LYS 24 -5.378 4.218 -8.544
154 1HE LYS 24 1HE LYS 24 -5.158 5.293 -5.702
155 2HE LYS 24 2HE LYS 24 -4.156 5.782 -7.083
156 1HZ LYS 24 1HZ LYS 24 -7.124 5.956 -7.003
157 2HZ LYS 24 2HZ LYS 24 -6.076 7.267 -6.744
158 3HZ LYS 24 3HZ LYS 24 -6.116 6.495 -8.256
159 H TRP 25 H TRP 25 -2.774 -0.511 -3.952
160 HA TRP 25 HA TRP 25 -4.688 -0.253 -1.688
161 1HB TRP 25 2HB TRP 25 -5.190 -2.136 -3.454
162 2HB TRP 25 1HB TRP 25 -5.293 -2.513 -1.738
163 HD1 TRP 25 HD1 TRP 25 -3.945 -4.490 -0.933
164 HE1 TRP 25 HE1 TRP 25 -2.027 -5.925 -1.869
165 HE3 TRP 25 HE3 TRP 25 -2.887 -1.893 -5.204
166 HZ2 TRP 25 HZ2 TRP 25 -0.276 -5.977 -4.120
167 HZ3 TRP 25 HZ3 TRP 25 -1.086 -2.661 -6.719
168 HH2 TRP 25 HH2 TRP 25 0.218 -4.698 -6.187
169 H CYS 26 H CYS 26 -3.794 -1.693 0.216
170 HA CYS 26 HA CYS 26 -1.015 -0.872 0.681
171 1HB CYS 26 1HB CYS 26 -3.032 -2.451 2.314
172 2HB CYS 26 2HB CYS 26 -1.494 -1.848 2.930
173 H VAL 27 H VAL 27 0.701 -2.136 0.136
174 HA VAL 27 HA VAL 27 0.379 -5.111 0.214
175 HB VAL 27 HB VAL 27 0.194 -4.548 -2.081
176 1HG1 VAL 27 1HG1 VAL 27 2.324 -2.519 -1.463
177 2HG1 VAL 27 2HG1 VAL 27 2.087 -3.074 -3.121
178 3HG1 VAL 27 3HG1 VAL 27 0.768 -2.283 -2.259
179 1HG2 VAL 27 1HG2 VAL 27 1.871 -6.330 -1.604
180 2HG2 VAL 27 2HG2 VAL 27 2.201 -5.465 -3.105
181 3HG2 VAL 27 3HG2 VAL 27 3.139 -5.105 -1.656
182 H LEU 28 H LEU 28 2.543 -6.195 0.250
183 HA LEU 28 HA LEU 28 4.234 -5.043 2.316
184 1HB LEU 28 1HB LEU 28 3.629 -7.550 1.305
185 2HB LEU 28 2HB LEU 28 5.288 -7.307 0.762
186 HG LEU 28 HG LEU 28 4.477 -6.739 3.612
187 1HD1 LEU 28 1HD1 LEU 28 3.890 -9.111 2.927
188 2HD1 LEU 28 2HD1 LEU 28 5.604 -9.359 2.593
189 3HD1 LEU 28 3HD1 LEU 28 5.071 -8.986 4.232
190 1HD2 LEU 28 1HD2 LEU 28 7.027 -7.132 2.064
191 2HD2 LEU 28 2HD2 LEU 28 6.612 -5.863 3.216
192 3HD2 LEU 28 3HD2 LEU 28 6.996 -7.486 3.792
193 H ALA 29 H ALA 29 6.223 -4.022 2.087
194 HA ALA 29 HA ALA 29 6.980 -3.033 -0.571
195 1HB ALA 29 2HB ALA 29 8.411 -2.756 2.088
196 2HB ALA 29 3HB ALA 29 8.524 -1.678 0.697
197 3HB ALA 29 1HB ALA 29 7.029 -1.761 1.628
198 H GLY 30 H GLY 30 9.328 -3.207 -1.272
199 1HA GLY 30 1HA GLY 30 11.407 -4.702 -0.634
200 2HA GLY 30 2HA GLY 30 10.262 -6.012 -0.921
201 HA PRO 31 HA PRO 31 12.211 -6.881 -1.483
202 1HB PRO 31 1HB PRO 31 14.630 -7.254 -2.702
203 2HB PRO 31 2HB PRO 31 13.168 -8.143 -3.171
204 1HG PRO 31 2HG PRO 31 13.603 -7.216 -5.203
205 2HG PRO 31 1HG PRO 31 14.501 -5.862 -4.504
206 1HD PRO 31 1HD PRO 31 12.623 -4.642 -4.862
207 2HD PRO 31 2HD PRO 31 11.635 -6.095 -5.117
208 H TRP 32 H TRP 32 14.364 -6.727 -0.204
209 HA TRP 32 HA TRP 32 15.166 -3.845 0.071
210 1HB TRP 32 1HB TRP 32 13.873 -4.703 1.949
211 2HB TRP 32 2HB TRP 32 14.924 -6.114 2.075
212 HD1 TRP 32 HD1 TRP 32 17.012 -5.898 3.541
213 HE1 TRP 32 HE1 TRP 32 18.172 -3.967 4.793
214 HE3 TRP 32 HE3 TRP 32 14.330 -1.939 1.747
215 HZ2 TRP 32 HZ2 TRP 32 17.986 -1.123 5.013
216 HZ3 TRP 32 HZ3 TRP 32 14.844 0.368 2.494
217 HH2 TRP 32 HH2 TRP 32 16.667 0.781 4.122
No H/Q in entry = 217
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -3.991 -4.653 -10.577
2 H2 GLY 1 H2 GLY 1 -5.091 -5.799 -9.974
3 H3 GLY 1 H3 GLY 1 -5.657 -4.336 -10.625
4 1HA GLY 1 1HA GLY 1 -5.714 -3.574 -8.548
5 2HA GLY 1 2HA GLY 1 -4.731 -4.921 -7.974
6 H CYS 2 H CYS 2 -3.765 -3.048 -6.671
7 HA CYS 2 HA CYS 2 -1.587 -1.731 -8.265
8 1HB CYS 2 1HB CYS 2 -3.328 -0.749 -5.992
9 2HB CYS 2 2HB CYS 2 -1.840 0.076 -6.458
10 H LEU 3 H LEU 3 -1.044 -4.231 -7.224
11 HA LEU 3 HA LEU 3 0.151 -3.935 -4.533
12 1HB LEU 3 1HB LEU 3 -1.071 -5.978 -5.793
13 2HB LEU 3 2HB LEU 3 0.592 -6.330 -6.262
14 HG LEU 3 HG LEU 3 0.520 -5.622 -3.471
15 1HD1 LEU 3 1HD1 LEU 3 -1.853 -6.403 -3.656
16 2HD1 LEU 3 2HD1 LEU 3 -1.256 -7.957 -4.240
17 3HD1 LEU 3 3HD1 LEU 3 -0.870 -7.422 -2.604
18 1HD2 LEU 3 1HD2 LEU 3 1.198 -8.104 -5.068
19 2HD2 LEU 3 2HD2 LEU 3 2.312 -6.925 -4.376
20 3HD2 LEU 3 3HD2 LEU 3 1.414 -8.015 -3.320
21 H GLY 4 H GLY 4 2.000 -2.677 -4.631
22 1HA GLY 4 1HA GLY 4 4.498 -3.277 -5.092
23 2HA GLY 4 2HA GLY 4 3.990 -3.249 -6.781
24 H ASP 5 H ASP 5 2.040 -0.975 -5.895
25 HA ASP 5 HA ASP 5 3.469 1.256 -6.855
26 1HB ASP 5 1HB ASP 5 1.031 0.755 -5.185
27 2HB ASP 5 2HB ASP 5 1.605 2.416 -5.326
28 H LYS 6 H LYS 6 5.199 2.305 -5.949
29 HA LYS 6 HA LYS 6 6.057 1.823 -3.217
30 1HB LYS 6 2HB LYS 6 7.808 3.471 -3.835
31 2HB LYS 6 1HB LYS 6 6.896 3.881 -5.288
32 1HG LYS 6 1HG LYS 6 8.757 1.730 -4.894
33 2HG LYS 6 2HG LYS 6 7.167 1.042 -5.221
34 1HD LYS 6 1HD LYS 6 7.120 2.906 -7.113
35 2HD LYS 6 2HD LYS 6 8.873 2.785 -6.959
36 1HE LYS 6 1HE LYS 6 7.372 0.208 -7.121
37 2HE LYS 6 2HE LYS 6 7.492 1.168 -8.609
38 1HZ LYS 6 1HZ LYS 6 9.782 0.482 -6.839
39 2HZ LYS 6 2HZ LYS 6 9.421 -0.305 -8.297
40 3HZ LYS 6 3HZ LYS 6 9.864 1.335 -8.307
41 H CYS 7 H CYS 7 5.834 3.145 -1.412
42 HA CYS 7 HA CYS 7 3.615 4.943 -1.206
43 1HB CYS 7 1HB CYS 7 5.306 3.584 0.471
44 2HB CYS 7 2HB CYS 7 5.863 5.240 0.702
45 H ASP 8 H ASP 8 3.515 7.211 -1.332
46 HA ASP 8 HA ASP 8 5.943 8.567 -2.438
47 1HB ASP 8 1HB ASP 8 3.870 8.463 -3.807
48 2HB ASP 8 2HB ASP 8 2.998 9.310 -2.529
49 H TYR 9 H TYR 9 3.086 9.653 -0.527
50 HA TYR 9 HA TYR 9 4.956 10.911 1.437
51 1HB TYR 9 1HB TYR 9 3.575 12.232 -0.657
52 2HB TYR 9 2HB TYR 9 2.717 12.641 0.827
53 HD1 TYR 9 HD1 TYR 9 3.903 13.742 2.710
54 HD2 TYR 9 HD2 TYR 9 5.835 12.996 -1.055
55 HE1 TYR 9 HE1 TYR 9 5.704 15.333 3.319
56 HE2 TYR 9 HE2 TYR 9 7.637 14.588 -0.444
57 HH TYR 9 HH TYR 9 8.449 15.471 2.324
58 H ASN 10 H ASN 10 1.441 10.739 0.728
59 HA ASN 10 HA ASN 10 0.913 10.220 3.616
60 1HB ASN 10 1HB ASN 10 -0.401 11.525 1.360
61 2HB ASN 10 2HB ASN 10 -1.488 10.395 2.168
62 2HD2 ASN 10 1HD2 ASN 10 0.052 13.498 2.441
63 1HD2 ASN 10 2HD2 ASN 10 -0.499 13.865 4.004
64 H ASN 11 H ASN 11 0.509 8.781 0.398
65 HA ASN 11 HA ASN 11 0.369 6.083 1.498
66 1HB ASN 11 1HB ASN 11 -1.964 7.420 1.668
67 2HB ASN 11 2HB ASN 11 -2.105 6.852 0.005
68 2HD2 ASN 11 1HD2 ASN 11 -1.187 5.533 3.251
69 1HD2 ASN 11 2HD2 ASN 11 -1.935 4.028 3.005
70 H GLY 12 H GLY 12 -0.994 7.718 -1.398
71 1HA GLY 12 1HA GLY 12 -0.442 7.498 -3.669
72 2HA GLY 12 2HA GLY 12 1.126 6.876 -3.156
73 H CYS 13 H CYS 13 -2.014 5.476 -2.287
74 HA CYS 13 HA CYS 13 -1.280 3.033 -3.877
75 1HB CYS 13 1HB CYS 13 -2.845 3.241 -1.284
76 2HB CYS 13 2HB CYS 13 -2.297 1.758 -2.062
77 H CYS 14 H CYS 14 -3.460 1.628 -4.050
78 HA CYS 14 HA CYS 14 -5.490 3.421 -5.300
79 1HB CYS 14 1HB CYS 14 -4.765 0.489 -5.495
80 2HB CYS 14 2HB CYS 14 -6.222 1.142 -6.243
81 H SER 15 H SER 15 -7.824 2.361 -5.099
82 HA SER 15 HA SER 15 -8.662 2.531 -2.367
83 1HB SER 15 1HB SER 15 -9.874 1.590 -4.961
84 2HB SER 15 2HB SER 15 -10.785 1.467 -3.459
85 HG SER 15 HG SER 15 -11.129 3.459 -4.565
86 H GLY 16 H GLY 16 -8.500 1.002 -0.781
87 1HA GLY 16 1HA GLY 16 -8.765 -1.170 0.184
88 2HA GLY 16 2HA GLY 16 -8.806 -1.861 -1.437
89 H TYR 17 H TYR 17 -6.225 0.364 -0.965
90 HA TYR 17 HA TYR 17 -4.324 -1.892 -0.420
91 1HB TYR 17 1HB TYR 17 -4.495 0.162 -2.586
92 2HB TYR 17 2HB TYR 17 -2.886 -0.290 -2.025
93 HD1 TYR 17 HD1 TYR 17 -6.093 -1.679 -3.327
94 HD2 TYR 17 HD2 TYR 17 -1.907 -2.354 -2.655
95 HE1 TYR 17 HE1 TYR 17 -6.222 -3.777 -4.638
96 HE2 TYR 17 HE2 TYR 17 -2.032 -4.451 -3.965
97 HH TYR 17 HH TYR 17 -4.368 -6.145 -4.503
98 H VAL 18 H VAL 18 -3.078 -1.468 1.357
99 HA VAL 18 HA VAL 18 -2.853 1.355 2.331
100 HB VAL 18 HB VAL 18 -2.048 -1.167 3.797
101 1HG1 VAL 18 1HG1 VAL 18 -3.055 1.557 4.668
102 2HG1 VAL 18 2HG1 VAL 18 -2.693 0.223 5.764
103 3HG1 VAL 18 3HG1 VAL 18 -1.403 0.956 4.811
104 1HG2 VAL 18 1HG2 VAL 18 -4.809 -0.084 3.269
105 2HG2 VAL 18 2HG2 VAL 18 -4.260 -1.760 3.293
106 3HG2 VAL 18 3HG2 VAL 18 -4.463 -0.877 4.806
107 H CYS 19 H CYS 19 -0.689 2.044 3.114
108 HA CYS 19 HA CYS 19 1.463 1.117 1.320
109 1HB CYS 19 1HB CYS 19 0.705 3.492 2.735
110 2HB CYS 19 2HB CYS 19 2.331 3.042 3.252
111 H SER 20 H SER 20 2.681 -0.612 1.937
112 HA SER 20 HA SER 20 2.788 -1.562 4.686
113 1HB SER 20 1HB SER 20 3.265 -2.528 2.092
114 2HB SER 20 2HB SER 20 4.832 -2.594 2.890
115 HG SER 20 HG SER 20 3.429 -4.465 3.192
116 H ARG 21 H ARG 21 4.220 -0.911 6.235
117 HA ARG 21 HA ARG 21 6.340 1.014 5.586
118 1HB ARG 21 2HB ARG 21 4.827 1.034 7.620
119 2HB ARG 21 1HB ARG 21 6.545 1.159 7.991
120 1HG ARG 21 1HG ARG 21 5.406 -1.591 7.861
121 2HG ARG 21 2HG ARG 21 6.627 -0.928 8.949
122 1HD ARG 21 2HD ARG 21 4.513 0.512 9.796
123 2HD ARG 21 1HD ARG 21 4.851 -1.107 10.439
124 HE ARG 21 HE ARG 21 3.356 -1.789 8.324
125 1HH1 ARG 21 1HH1 ARG 21 2.288 0.847 7.727
126 2HH1 ARG 21 2HH1 ARG 21 0.887 0.966 8.739
127 1HH2 ARG 21 1HH2 ARG 21 1.849 -1.637 10.828
128 2HH2 ARG 21 2HH2 ARG 21 0.638 -0.444 10.499
129 H THR 22 H THR 22 6.109 -2.408 5.739
130 HA THR 22 HA THR 22 8.939 -2.854 6.473
131 HB THR 22 HB THR 22 6.789 -4.775 5.514
132 HG1 THR 22 HG1 THR 22 5.886 -4.380 7.349
133 1HG2 THR 22 1HG2 THR 22 9.549 -5.043 6.479
134 2HG2 THR 22 2HG2 THR 22 8.397 -6.068 7.337
135 3HG2 THR 22 3HG2 THR 22 8.549 -6.188 5.585
136 H TRP 23 H TRP 23 6.805 -3.328 3.626
137 HA TRP 23 HA TRP 23 9.186 -3.877 1.918
138 1HB TRP 23 2HB TRP 23 7.608 -4.742 0.371
139 2HB TRP 23 1HB TRP 23 6.273 -3.869 1.111
140 HD1 TRP 23 HD1 TRP 23 4.733 -5.656 2.043
141 HE1 TRP 23 HE1 TRP 23 5.013 -7.697 3.596
142 HE3 TRP 23 HE3 TRP 23 9.823 -5.731 2.502
143 HZ2 TRP 23 HZ2 TRP 23 7.117 -9.169 4.860
144 HZ3 TRP 23 HZ3 TRP 23 10.935 -7.462 3.880
145 HH2 TRP 23 HH2 TRP 23 9.592 -9.180 5.059
146 H LYS 24 H LYS 24 7.158 -1.245 2.773
147 HA LYS 24 HA LYS 24 7.067 0.965 2.000
148 1HB LYS 24 1HB LYS 24 9.595 -0.100 1.308
149 2HB LYS 24 2HB LYS 24 9.036 0.799 -0.104
150 1HG LYS 24 1HG LYS 24 9.184 2.801 0.958
151 2HG LYS 24 2HG LYS 24 8.539 2.153 2.466
152 1HD LYS 24 1HD LYS 24 10.960 0.895 2.365
153 2HD LYS 24 2HD LYS 24 11.347 2.427 1.582
154 1HE LYS 24 1HE LYS 24 9.969 3.432 3.635
155 2HE LYS 24 2HE LYS 24 10.475 1.913 4.401
156 1HZ LYS 24 1HZ LYS 24 12.284 3.797 2.973
157 2HZ LYS 24 2HZ LYS 24 12.155 3.662 4.662
158 3HZ LYS 24 3HZ LYS 24 12.748 2.359 3.752
159 H TRP 25 H TRP 25 5.602 -1.364 0.531
160 HA TRP 25 HA TRP 25 4.922 0.290 -1.866
161 1HB TRP 25 1HB TRP 25 5.306 -1.449 -3.314
162 2HB TRP 25 2HB TRP 25 6.412 -1.959 -2.049
163 HD1 TRP 25 HD1 TRP 25 2.602 -2.443 -2.656
164 HE1 TRP 25 HE1 TRP 25 2.039 -4.914 -2.210
165 HE3 TRP 25 HE3 TRP 25 7.235 -4.209 -1.480
166 HZ2 TRP 25 HZ2 TRP 25 3.368 -7.325 -1.481
167 HZ3 TRP 25 HZ3 TRP 25 7.559 -6.601 -0.925
168 HH2 TRP 25 HH2 TRP 25 5.636 -8.161 -0.925
169 H CYS 26 H CYS 26 2.699 0.039 -2.586
170 HA CYS 26 HA CYS 26 0.804 -0.221 -0.409
171 1HB CYS 26 2HB CYS 26 -0.812 0.313 -2.199
172 2HB CYS 26 1HB CYS 26 0.427 -0.005 -3.413
173 H VAL 27 H VAL 27 0.354 -2.251 0.384
174 HA VAL 27 HA VAL 27 0.119 -4.551 -1.504
175 HB VAL 27 HB VAL 27 -0.056 -4.632 1.516
176 1HG1 VAL 27 1HG1 VAL 27 0.583 -6.529 -0.717
177 2HG1 VAL 27 2HG1 VAL 27 1.313 -6.805 0.865
178 3HG1 VAL 27 3HG1 VAL 27 -0.442 -6.770 0.698
179 1HG2 VAL 27 1HG2 VAL 27 2.208 -3.732 -0.076
180 2HG2 VAL 27 2HG2 VAL 27 2.036 -3.798 1.677
181 3HG2 VAL 27 3HG2 VAL 27 2.602 -5.214 0.794
182 H LEU 28 H LEU 28 -1.776 -6.077 -1.021
183 HA LEU 28 HA LEU 28 -4.281 -4.659 -1.194
184 1HB LEU 28 1HB LEU 28 -3.860 -6.817 -2.260
185 2HB LEU 28 2HB LEU 28 -3.586 -7.571 -0.689
186 HG LEU 28 HG LEU 28 -6.104 -6.255 -0.545
187 1HD1 LEU 28 1HD1 LEU 28 -5.990 -6.330 -3.063
188 2HD1 LEU 28 2HD1 LEU 28 -5.918 -8.089 -2.950
189 3HD1 LEU 28 3HD1 LEU 28 -7.345 -7.226 -2.376
190 1HD2 LEU 28 1HD2 LEU 28 -4.920 -8.719 0.101
191 2HD2 LEU 28 2HD2 LEU 28 -6.559 -8.205 0.500
192 3HD2 LEU 28 3HD2 LEU 28 -6.259 -9.129 -0.972
193 H ALA 29 H ALA 29 -5.669 -4.045 0.410
194 HA ALA 29 HA ALA 29 -4.927 -4.518 3.232
195 1HB ALA 29 3HB ALA 29 -6.397 -2.707 3.638
196 2HB ALA 29 2HB ALA 29 -7.327 -3.025 2.174
197 3HB ALA 29 1HB ALA 29 -5.709 -2.333 2.058
198 H GLY 30 H GLY 30 -6.809 -5.040 4.767
199 1HA GLY 30 1HA GLY 30 -9.001 -6.653 3.659
200 2HA GLY 30 2HA GLY 30 -7.809 -7.572 4.580
201 HA PRO 31 HA PRO 31 -9.361 -8.784 5.223
202 1HB PRO 31 1HB PRO 31 -11.837 -9.557 6.085
203 2HB PRO 31 2HB PRO 31 -10.383 -9.686 7.093
204 1HG PRO 31 2HG PRO 31 -11.615 -8.372 8.494
205 2HG PRO 31 1HG PRO 31 -12.568 -7.683 7.172
206 1HD PRO 31 1HD PRO 31 -11.214 -5.870 7.403
207 2HD PRO 31 2HD PRO 31 -9.994 -6.791 8.308
208 H TRP 32 H TRP 32 -10.328 -9.424 3.255
209 HA TRP 32 HA TRP 32 -12.684 -7.885 2.261
210 1HB TRP 32 1HB TRP 32 -10.481 -6.791 1.643
211 2HB TRP 32 2HB TRP 32 -10.098 -8.242 0.716
212 HD1 TRP 32 HD1 TRP 32 -10.664 -7.986 -1.736
213 HE1 TRP 32 HE1 TRP 32 -12.463 -6.751 -3.108
214 HE3 TRP 32 HE3 TRP 32 -13.298 -5.781 2.043
215 HZ2 TRP 32 HZ2 TRP 32 -14.719 -5.050 -2.663
216 HZ3 TRP 32 HZ3 TRP 32 -15.264 -4.359 1.542
217 HH2 TRP 32 HH2 TRP 32 -15.978 -3.991 -0.804
No H/Q in entry = 217
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 2.747 7.690 7.545
2 H2 GLY 1 H2 GLY 1 4.252 8.068 6.854
3 H3 GLY 1 H3 GLY 1 2.919 7.742 5.856
4 1HA GLY 1 1HA GLY 1 4.205 5.798 5.792
5 2HA GLY 1 2HA GLY 1 4.447 5.846 7.539
6 H CYS 2 H CYS 2 2.344 4.796 5.001
7 HA CYS 2 HA CYS 2 0.253 3.955 6.976
8 1HB CYS 2 1HB CYS 2 0.120 3.964 3.950
9 2HB CYS 2 2HB CYS 2 -1.228 3.922 5.085
10 H LEU 3 H LEU 3 2.777 2.502 6.765
11 HA LEU 3 HA LEU 3 2.472 0.161 5.074
12 1HB LEU 3 1HB LEU 3 4.572 1.241 6.123
13 2HB LEU 3 2HB LEU 3 4.109 0.405 7.606
14 HG LEU 3 HG LEU 3 3.980 -1.721 6.132
15 1HD1 LEU 3 1HD1 LEU 3 4.126 -0.375 3.994
16 2HD1 LEU 3 2HD1 LEU 3 5.809 -0.042 4.398
17 3HD1 LEU 3 3HD1 LEU 3 5.284 -1.700 4.104
18 1HD2 LEU 3 1HD2 LEU 3 6.556 -0.290 6.827
19 2HD2 LEU 3 2HD2 LEU 3 5.715 -1.517 7.774
20 3HD2 LEU 3 3HD2 LEU 3 6.520 -1.963 6.270
21 H GLY 4 H GLY 4 0.739 -1.184 5.446
22 1HA GLY 4 1HA GLY 4 0.171 -3.131 6.980
23 2HA GLY 4 2HA GLY 4 0.139 -1.938 8.278
24 H ASP 5 H ASP 5 -1.124 0.033 6.277
25 HA ASP 5 HA ASP 5 -3.863 -0.350 7.016
26 1HB ASP 5 1HB ASP 5 -2.338 1.303 5.004
27 2HB ASP 5 2HB ASP 5 -4.099 1.364 5.044
28 H LYS 6 H LYS 6 -5.193 -1.957 6.226
29 HA LYS 6 HA LYS 6 -4.591 -3.576 3.930
30 1HB LYS 6 1HB LYS 6 -7.035 -3.053 5.632
31 2HB LYS 6 2HB LYS 6 -7.098 -4.173 4.271
32 1HG LYS 6 1HG LYS 6 -5.227 -5.463 5.248
33 2HG LYS 6 2HG LYS 6 -5.180 -4.352 6.616
34 1HD LYS 6 1HD LYS 6 -7.877 -5.185 6.355
35 2HD LYS 6 2HD LYS 6 -6.889 -6.638 6.213
36 1HE LYS 6 1HE LYS 6 -5.616 -5.622 8.300
37 2HE LYS 6 2HE LYS 6 -7.142 -4.747 8.535
38 1HZ LYS 6 1HZ LYS 6 -8.331 -6.854 8.335
39 2HZ LYS 6 2HZ LYS 6 -6.862 -7.686 8.162
40 3HZ LYS 6 3HZ LYS 6 -7.225 -6.903 9.625
41 H CYS 7 H CYS 7 -5.449 -3.480 1.795
42 HA CYS 7 HA CYS 7 -5.987 -0.887 0.685
43 1HB CYS 7 1HB CYS 7 -6.403 -3.728 -0.297
44 2HB CYS 7 2HB CYS 7 -6.615 -2.313 -1.328
45 H ASP 8 H ASP 8 -8.054 -0.243 -0.415
46 HA ASP 8 HA ASP 8 -10.397 -0.972 1.276
47 1HB ASP 8 1HB ASP 8 -9.528 1.310 -0.456
48 2HB ASP 8 2HB ASP 8 -11.262 1.059 -0.242
49 H TYR 9 H TYR 9 -10.467 0.068 -2.125
50 HA TYR 9 HA TYR 9 -11.951 -2.452 -2.785
51 1HB TYR 9 1HB TYR 9 -12.164 0.375 -3.873
52 2HB TYR 9 2HB TYR 9 -13.093 -0.993 -4.480
53 HD1 TYR 9 HD1 TYR 9 -13.533 -2.380 -1.778
54 HD2 TYR 9 HD2 TYR 9 -13.974 1.712 -3.019
55 HE1 TYR 9 HE1 TYR 9 -15.212 -2.019 0.008
56 HE2 TYR 9 HE2 TYR 9 -15.657 2.070 -1.231
57 HH TYR 9 HH TYR 9 -16.066 0.752 1.201
58 H ASN 10 H ASN 10 -10.006 0.115 -4.338
59 HA ASN 10 HA ASN 10 -8.734 -2.002 -6.044
60 1HB ASN 10 1HB ASN 10 -9.924 0.673 -6.576
61 2HB ASN 10 2HB ASN 10 -8.458 0.283 -7.475
62 2HD2 ASN 10 1HD2 ASN 10 -11.857 -0.567 -7.047
63 1HD2 ASN 10 2HD2 ASN 10 -11.939 -1.647 -8.354
64 H ASN 11 H ASN 11 -8.260 0.854 -4.020
65 HA ASN 11 HA ASN 11 -5.493 0.255 -3.491
66 1HB ASN 11 1HB ASN 11 -5.293 0.965 -5.841
67 2HB ASN 11 2HB ASN 11 -6.122 2.473 -5.466
68 2HD2 ASN 11 1HD2 ASN 11 -4.661 4.169 -5.273
69 1HD2 ASN 11 2HD2 ASN 11 -3.094 4.046 -4.630
70 H GLY 12 H GLY 12 -6.518 0.662 -1.396
71 1HA GLY 12 1HA GLY 12 -7.227 3.484 -0.809
72 2HA GLY 12 2HA GLY 12 -7.539 2.109 0.252
73 H CYS 13 H CYS 13 -4.714 3.713 -1.265
74 HA CYS 13 HA CYS 13 -3.286 3.450 1.367
75 1HB CYS 13 1HB CYS 13 -2.190 3.238 -1.460
76 2HB CYS 13 2HB CYS 13 -1.252 3.059 0.022
77 H CYS 14 H CYS 14 -2.082 5.275 2.006
78 HA CYS 14 HA CYS 14 -2.839 7.850 0.923
79 1HB CYS 14 2HB CYS 14 -2.260 7.398 3.289
80 2HB CYS 14 1HB CYS 14 -1.230 8.662 2.620
81 H SER 15 H SER 15 -1.170 9.470 0.160
82 HA SER 15 HA SER 15 0.164 8.657 -2.200
83 1HB SER 15 1HB SER 15 -0.341 11.008 -0.735
84 2HB SER 15 2HB SER 15 1.411 10.944 -0.895
85 HG SER 15 HG SER 15 -0.579 11.007 -2.889
86 H GLY 16 H GLY 16 2.086 7.612 -2.532
87 1HA GLY 16 1HA GLY 16 4.483 7.367 -2.074
88 2HA GLY 16 2HA GLY 16 4.148 7.684 -0.374
89 H TYR 17 H TYR 17 1.738 5.858 -0.464
90 HA TYR 17 HA TYR 17 3.266 3.283 -0.288
91 1HB TYR 17 1HB TYR 17 0.976 4.556 1.168
92 2HB TYR 17 2HB TYR 17 1.038 2.795 1.098
93 HD1 TYR 17 HD1 TYR 17 3.217 5.756 1.853
94 HD2 TYR 17 HD2 TYR 17 2.350 1.626 2.644
95 HE1 TYR 17 HE1 TYR 17 4.930 5.739 3.645
96 HE2 TYR 17 HE2 TYR 17 4.062 1.612 4.434
97 HH TYR 17 HH TYR 17 5.109 3.825 5.992
98 H VAL 18 H VAL 18 2.655 1.586 -1.597
99 HA VAL 18 HA VAL 18 0.335 2.016 -3.435
100 HB VAL 18 HB VAL 18 1.501 0.304 -4.815
101 1HG1 VAL 18 1HG1 VAL 18 2.050 2.797 -4.885
102 2HG1 VAL 18 2HG1 VAL 18 3.476 2.412 -3.922
103 3HG1 VAL 18 3HG1 VAL 18 3.283 1.715 -5.531
104 1HG2 VAL 18 1HG2 VAL 18 2.764 -0.329 -2.367
105 2HG2 VAL 18 2HG2 VAL 18 3.081 -1.049 -3.946
106 3HG2 VAL 18 3HG2 VAL 18 4.029 0.335 -3.400
107 H CYS 19 H CYS 19 -1.230 0.361 -3.713
108 HA CYS 19 HA CYS 19 -1.797 -1.275 -1.370
109 1HB CYS 19 1HB CYS 19 -3.582 -0.251 -2.632
110 2HB CYS 19 2HB CYS 19 -3.006 -0.971 -4.135
111 H SER 20 H SER 20 -0.659 -3.157 -1.022
112 HA SER 20 HA SER 20 0.564 -4.663 -3.231
113 1HB SER 20 1HB SER 20 0.786 -4.386 -0.374
114 2HB SER 20 2HB SER 20 0.602 -6.089 -0.767
115 HG SER 20 HG SER 20 2.426 -4.336 -2.054
116 H ARG 21 H ARG 21 -0.483 -6.289 -4.323
117 HA ARG 21 HA ARG 21 -3.151 -7.175 -3.478
118 1HB ARG 21 1HB ARG 21 -1.273 -7.812 -5.766
119 2HB ARG 21 2HB ARG 21 -2.844 -8.593 -5.589
120 1HG ARG 21 1HG ARG 21 -3.910 -6.330 -5.530
121 2HG ARG 21 2HG ARG 21 -2.331 -5.618 -5.864
122 1HD ARG 21 1HD ARG 21 -2.322 -6.332 -8.060
123 2HD ARG 21 2HD ARG 21 -3.258 -7.795 -7.696
124 HE ARG 21 HE ARG 21 -4.434 -5.046 -7.856
125 1HH1 ARG 21 1HH1 ARG 21 -5.875 -7.177 -6.203
126 2HH1 ARG 21 2HH1 ARG 21 -7.012 -7.785 -7.362
127 1HH2 ARG 21 1HH2 ARG 21 -5.374 -6.391 -10.091
128 2HH2 ARG 21 2HH2 ARG 21 -6.726 -7.339 -9.569
129 H THR 22 H THR 22 0.135 -8.354 -3.192
130 HA THR 22 HA THR 22 -0.555 -11.147 -2.698
131 HB THR 22 HB THR 22 1.944 -9.580 -1.978
132 HG1 THR 22 HG1 THR 22 2.086 -9.330 -4.049
133 1HG2 THR 22 1HG2 THR 22 1.777 -11.849 -1.019
134 2HG2 THR 22 2HG2 THR 22 1.500 -12.503 -2.633
135 3HG2 THR 22 3HG2 THR 22 3.049 -11.756 -2.237
136 H TRP 23 H TRP 23 0.419 -8.388 -0.619
137 HA TRP 23 HA TRP 23 -0.282 -9.972 1.807
138 1HB TRP 23 2HB TRP 23 1.005 -8.383 2.971
139 2HB TRP 23 1HB TRP 23 0.782 -7.151 1.736
140 HD1 TRP 23 HD1 TRP 23 3.063 -6.686 0.747
141 HE1 TRP 23 HE1 TRP 23 5.000 -8.112 -0.182
142 HE3 TRP 23 HE3 TRP 23 1.333 -11.354 1.872
143 HZ2 TRP 23 HZ2 TRP 23 5.719 -10.872 -0.414
144 HZ3 TRP 23 HZ3 TRP 23 2.661 -13.362 1.288
145 HH2 TRP 23 HH2 TRP 23 4.849 -13.128 0.148
146 H LYS 24 H LYS 24 -1.803 -7.809 -0.316
147 HA LYS 24 HA LYS 24 -3.800 -6.590 -0.201
148 1HB LYS 24 1HB LYS 24 -3.976 -8.538 2.095
149 2HB LYS 24 2HB LYS 24 -5.289 -7.407 1.767
150 1HG LYS 24 1HG LYS 24 -4.154 -9.070 -0.468
151 2HG LYS 24 2HG LYS 24 -5.336 -9.773 0.637
152 1HD LYS 24 1HD LYS 24 -5.815 -7.125 -0.739
153 2HD LYS 24 2HD LYS 24 -6.266 -8.657 -1.486
154 1HE LYS 24 1HE LYS 24 -7.145 -8.058 1.339
155 2HE LYS 24 2HE LYS 24 -8.059 -7.411 -0.036
156 1HZ LYS 24 1HZ LYS 24 -7.232 -10.221 -0.141
157 2HZ LYS 24 2HZ LYS 24 -8.520 -9.820 0.891
158 3HZ LYS 24 3HZ LYS 24 -8.620 -9.479 -0.770
159 H TRP 25 H TRP 25 -1.313 -5.574 1.296
160 HA TRP 25 HA TRP 25 -2.791 -3.586 2.961
161 1HB TRP 25 1HB TRP 25 -1.589 -4.087 4.837
162 2HB TRP 25 2HB TRP 25 -1.369 -5.636 4.043
163 HD1 TRP 25 HD1 TRP 25 0.485 -2.228 3.731
164 HE1 TRP 25 HE1 TRP 25 3.012 -2.688 3.877
165 HE3 TRP 25 HE3 TRP 25 0.425 -7.275 4.443
166 HZ2 TRP 25 HZ2 TRP 25 4.780 -4.892 4.271
167 HZ3 TRP 25 HZ3 TRP 25 2.545 -8.529 4.713
168 HH2 TRP 25 HH2 TRP 25 4.721 -7.347 4.630
169 H CYS 26 H CYS 26 -1.776 -1.483 3.032
170 HA CYS 26 HA CYS 26 -0.482 -0.705 0.561
171 1HB CYS 26 1HB CYS 26 -0.938 0.728 3.197
172 2HB CYS 26 2HB CYS 26 -0.468 1.518 1.692
173 H VAL 27 H VAL 27 1.636 -1.303 0.206
174 HA VAL 27 HA VAL 27 3.575 -1.230 2.475
175 HB VAL 27 HB VAL 27 4.166 -2.187 -0.323
176 1HG1 VAL 27 1HG1 VAL 27 5.048 -2.971 2.468
177 2HG1 VAL 27 2HG1 VAL 27 5.516 -3.850 1.013
178 3HG1 VAL 27 3HG1 VAL 27 6.017 -2.173 1.230
179 1HG2 VAL 27 1HG2 VAL 27 2.499 -3.592 1.778
180 2HG2 VAL 27 2HG2 VAL 27 2.101 -3.317 0.085
181 3HG2 VAL 27 3HG2 VAL 27 3.359 -4.474 0.517
182 H LEU 28 H LEU 28 5.682 -0.170 2.095
183 HA LEU 28 HA LEU 28 5.400 2.450 0.866
184 1HB LEU 28 1HB LEU 28 7.677 2.753 1.715
185 2HB LEU 28 2HB LEU 28 6.706 1.925 2.930
186 HG LEU 28 HG LEU 28 7.750 -0.155 1.391
187 1HD1 LEU 28 1HD1 LEU 28 9.285 1.544 0.353
188 2HD1 LEU 28 2HD1 LEU 28 9.945 1.859 1.958
189 3HD1 LEU 28 3HD1 LEU 28 10.134 0.267 1.223
190 1HD2 LEU 28 1HD2 LEU 28 8.330 1.073 4.062
191 2HD2 LEU 28 2HD2 LEU 28 7.682 -0.523 3.681
192 3HD2 LEU 28 3HD2 LEU 28 9.403 -0.198 3.477
193 H ALA 29 H ALA 29 6.431 3.230 -1.012
194 HA ALA 29 HA ALA 29 7.374 1.128 -2.924
195 1HB ALA 29 3HB ALA 29 6.132 2.275 -4.439
196 2HB ALA 29 2HB ALA 29 6.847 3.815 -3.962
197 3HB ALA 29 1HB ALA 29 5.471 3.168 -3.070
198 H GLY 30 H GLY 30 9.569 1.057 -3.203
199 1HA GLY 30 1HA GLY 30 11.140 3.430 -3.697
200 2HA GLY 30 2HA GLY 30 11.452 2.799 -2.082
201 HA PRO 31 HA PRO 31 12.604 1.854 -1.030
202 1HB PRO 31 1HB PRO 31 15.301 1.718 -0.591
203 2HB PRO 31 2HB PRO 31 14.224 0.316 -0.442
204 1HG PRO 31 2HG PRO 31 15.668 -0.527 -2.008
205 2HG PRO 31 1HG PRO 31 16.048 1.073 -2.663
206 1HD PRO 31 1HD PRO 31 14.600 0.465 -4.323
207 2HD PRO 31 2HD PRO 31 13.804 -0.758 -3.308
208 H TRP 32 H TRP 32 13.524 3.836 -0.036
209 HA TRP 32 HA TRP 32 13.693 6.056 -1.872
210 1HB TRP 32 1HB TRP 32 13.405 5.539 0.926
211 2HB TRP 32 2HB TRP 32 14.724 6.691 0.730
212 HD1 TRP 32 HD1 TRP 32 11.026 6.219 -0.234
213 HE1 TRP 32 HE1 TRP 32 9.983 8.547 -0.604
214 HE3 TRP 32 HE3 TRP 32 15.183 9.137 0.279
215 HZ2 TRP 32 HZ2 TRP 32 10.806 11.287 -0.674
216 HZ3 TRP 32 HZ3 TRP 32 15.026 11.600 0.056
217 HH2 TRP 32 HH2 TRP 32 12.845 12.679 -0.419
No H/Q in entry = 217
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 9.400 6.269 -5.147
2 H2 GLY 1 H2 GLY 1 9.064 6.196 -6.811
3 H3 GLY 1 H3 GLY 1 8.140 7.200 -5.798
4 1HA GLY 1 1HA GLY 1 6.905 5.206 -6.363
5 2HA GLY 1 2HA GLY 1 8.217 4.231 -5.699
6 H CYS 2 H CYS 2 5.344 4.537 -4.826
7 HA CYS 2 HA CYS 2 5.715 5.689 -2.092
8 1HB CYS 2 1HB CYS 2 3.322 4.931 -3.789
9 2HB CYS 2 2HB CYS 2 3.176 5.436 -2.105
10 H LEU 3 H LEU 3 6.588 2.874 -3.177
11 HA LEU 3 HA LEU 3 4.915 0.981 -1.714
12 1HB LEU 3 1HB LEU 3 6.501 0.731 -3.812
13 2HB LEU 3 2HB LEU 3 7.746 0.467 -2.591
14 HG LEU 3 HG LEU 3 5.420 -1.061 -1.881
15 1HD1 LEU 3 1HD1 LEU 3 6.387 -1.342 -4.736
16 2HD1 LEU 3 2HD1 LEU 3 5.546 -2.636 -3.883
17 3HD1 LEU 3 3HD1 LEU 3 4.732 -1.099 -4.175
18 1HD2 LEU 3 1HD2 LEU 3 7.894 -1.404 -1.338
19 2HD2 LEU 3 2HD2 LEU 3 7.005 -2.854 -1.805
20 3HD2 LEU 3 3HD2 LEU 3 8.065 -2.057 -2.968
21 H GLY 4 H GLY 4 4.919 1.087 0.499
22 1HA GLY 4 1HA GLY 4 6.552 0.263 2.360
23 2HA GLY 4 2HA GLY 4 7.484 1.689 1.903
24 H ASP 5 H ASP 5 4.901 3.190 1.365
25 HA ASP 5 HA ASP 5 4.615 4.434 3.946
26 1HB ASP 5 1HB ASP 5 3.010 4.501 1.369
27 2HB ASP 5 2HB ASP 5 2.692 5.575 2.731
28 H LYS 6 H LYS 6 3.545 3.538 5.662
29 HA LYS 6 HA LYS 6 1.748 1.283 5.430
30 1HB LYS 6 1HB LYS 6 2.874 3.068 7.514
31 2HB LYS 6 2HB LYS 6 1.339 2.307 7.929
32 1HG LYS 6 2HG LYS 6 2.506 0.130 7.001
33 2HG LYS 6 1HG LYS 6 2.845 0.681 8.642
34 1HD LYS 6 1HD LYS 6 4.521 1.523 6.265
35 2HD LYS 6 2HD LYS 6 4.915 1.676 7.977
36 1HE LYS 6 1HE LYS 6 5.290 -0.655 8.223
37 2HE LYS 6 2HE LYS 6 4.445 -1.032 6.708
38 1HZ LYS 6 1HZ LYS 6 6.943 0.568 6.931
39 2HZ LYS 6 2HZ LYS 6 6.859 -1.045 6.405
40 3HZ LYS 6 3HZ LYS 6 6.132 0.182 5.488
41 H CYS 7 H CYS 7 -0.534 1.243 5.763
42 HA CYS 7 HA CYS 7 -2.005 3.542 4.741
43 1HB CYS 7 1HB CYS 7 -2.762 0.840 5.894
44 2HB CYS 7 2HB CYS 7 -3.946 1.969 5.235
45 H ASP 8 H ASP 8 -4.160 4.061 6.096
46 HA ASP 8 HA ASP 8 -3.469 4.390 8.992
47 1HB ASP 8 1HB ASP 8 -3.633 6.380 6.872
48 2HB ASP 8 2HB ASP 8 -4.773 6.740 8.169
49 H TYR 9 H TYR 9 -6.101 5.176 6.662
50 HA TYR 9 HA TYR 9 -8.004 3.558 8.253
51 1HB TYR 9 1HB TYR 9 -7.695 5.924 9.235
52 2HB TYR 9 2HB TYR 9 -8.515 6.502 7.786
53 HD1 TYR 9 HD1 TYR 9 -10.863 5.884 7.328
54 HD2 TYR 9 HD2 TYR 9 -8.881 4.680 10.944
55 HE1 TYR 9 HE1 TYR 9 -13.055 5.313 8.339
56 HE2 TYR 9 HE2 TYR 9 -11.072 4.110 11.955
57 HH TYR 9 HH TYR 9 -13.770 5.143 11.199
58 H ASN 10 H ASN 10 -7.885 6.097 5.703
59 HA ASN 10 HA ASN 10 -10.023 4.683 4.206
60 1HB ASN 10 2HB ASN 10 -9.977 7.170 4.669
61 2HB ASN 10 1HB ASN 10 -10.146 6.753 2.965
62 2HD2 ASN 10 1HD2 ASN 10 -8.515 7.502 1.532
63 1HD2 ASN 10 2HD2 ASN 10 -7.115 8.316 2.040
64 H ASN 11 H ASN 11 -6.821 4.113 4.377
65 HA ASN 11 HA ASN 11 -5.196 3.260 2.898
66 1HB ASN 11 1HB ASN 11 -7.822 2.619 1.512
67 2HB ASN 11 2HB ASN 11 -6.272 1.960 0.996
68 2HD2 ASN 11 1HD2 ASN 11 -8.162 0.108 1.818
69 1HD2 ASN 11 2HD2 ASN 11 -7.757 -0.519 3.342
70 H GLY 12 H GLY 12 -4.847 5.765 2.611
71 1HA GLY 12 1HA GLY 12 -5.563 6.730 -0.093
72 2HA GLY 12 2HA GLY 12 -4.817 7.692 1.183
73 H CYS 13 H CYS 13 -4.018 4.742 -0.697
74 HA CYS 13 HA CYS 13 -1.145 5.316 -0.558
75 1HB CYS 13 1HB CYS 13 -2.949 3.264 -1.836
76 2HB CYS 13 2HB CYS 13 -1.244 3.332 -2.281
77 H CYS 14 H CYS 14 0.154 5.571 -2.605
78 HA CYS 14 HA CYS 14 -0.725 7.770 -4.205
79 1HB CYS 14 1HB CYS 14 1.461 5.697 -4.401
80 2HB CYS 14 2HB CYS 14 1.288 6.951 -5.628
81 H SER 15 H SER 15 -0.938 7.692 -6.649
82 HA SER 15 HA SER 15 -3.059 5.935 -7.466
83 1HB SER 15 1HB SER 15 -2.528 6.958 -9.720
84 2HB SER 15 2HB SER 15 -2.751 8.136 -8.431
85 HG SER 15 HG SER 15 -0.786 8.194 -9.932
86 H GLY 16 H GLY 16 -2.941 3.870 -8.229
87 1HA GLY 16 1HA GLY 16 -2.030 2.089 -9.567
88 2HA GLY 16 2HA GLY 16 -0.476 2.923 -9.581
89 H TYR 17 H TYR 17 -1.737 2.957 -6.444
90 HA TYR 17 HA TYR 17 -0.148 0.522 -5.703
91 1HB TYR 17 1HB TYR 17 -0.298 3.324 -4.672
92 2HB TYR 17 2HB TYR 17 -0.038 2.043 -3.490
93 HD1 TYR 17 HD1 TYR 17 1.263 3.449 -6.694
94 HD2 TYR 17 HD2 TYR 17 2.082 1.016 -3.251
95 HE1 TYR 17 HE1 TYR 17 3.649 3.319 -7.354
96 HE2 TYR 17 HE2 TYR 17 4.466 0.885 -3.911
97 HH TYR 17 HH TYR 17 5.664 1.215 -6.553
98 H VAL 18 H VAL 18 -0.992 -0.706 -3.894
99 HA VAL 18 HA VAL 18 -3.831 -0.081 -3.147
100 HB VAL 18 HB VAL 18 -4.290 -2.501 -3.368
101 1HG1 VAL 18 1HG1 VAL 18 -4.436 -0.877 -5.340
102 2HG1 VAL 18 2HG1 VAL 18 -2.901 -1.556 -5.882
103 3HG1 VAL 18 3HG1 VAL 18 -4.324 -2.589 -5.751
104 1HG2 VAL 18 1HG2 VAL 18 -1.358 -2.594 -4.127
105 2HG2 VAL 18 2HG2 VAL 18 -2.178 -3.506 -2.859
106 3HG2 VAL 18 3HG2 VAL 18 -2.486 -3.880 -4.555
107 H CYS 19 H CYS 19 -4.399 -0.617 -0.999
108 HA CYS 19 HA CYS 19 -2.178 -0.815 0.908
109 1HB CYS 19 1HB CYS 19 -4.239 0.603 1.160
110 2HB CYS 19 2HB CYS 19 -5.186 -0.876 1.322
111 H SER 20 H SER 20 -1.328 -2.777 1.479
112 HA SER 20 HA SER 20 -2.858 -5.268 1.013
113 1HB SER 20 1HB SER 20 -0.117 -4.391 1.148
114 2HB SER 20 2HB SER 20 -0.351 -5.723 2.275
115 HG SER 20 HG SER 20 -0.639 -7.028 0.646
116 H ARG 21 H ARG 21 -3.241 -6.817 2.729
117 HA ARG 21 HA ARG 21 -3.774 -5.550 5.353
118 1HB ARG 21 2HB ARG 21 -5.405 -6.975 4.038
119 2HB ARG 21 1HB ARG 21 -5.157 -7.493 5.704
120 1HG ARG 21 1HG ARG 21 -3.308 -8.684 3.715
121 2HG ARG 21 2HG ARG 21 -4.126 -9.437 5.083
122 1HD ARG 21 2HD ARG 21 -6.193 -8.739 3.295
123 2HD ARG 21 1HD ARG 21 -5.548 -10.368 3.576
124 HE ARG 21 HE ARG 21 -4.333 -8.482 1.578
125 1HH1 ARG 21 1HH1 ARG 21 -3.249 -11.275 2.496
126 2HH1 ARG 21 2HH1 ARG 21 -3.693 -12.227 1.118
127 1HH2 ARG 21 1HH2 ARG 21 -5.858 -9.834 -0.169
128 2HH2 ARG 21 2HH2 ARG 21 -5.173 -11.409 -0.393
129 H THR 22 H THR 22 -1.280 -7.454 3.945
130 HA THR 22 HA THR 22 -0.514 -9.056 6.222
131 HB THR 22 HB THR 22 1.291 -7.993 4.033
132 HG1 THR 22 HG1 THR 22 0.153 -9.044 2.639
133 1HG2 THR 22 1HG2 THR 22 2.031 -9.511 6.034
134 2HG2 THR 22 2HG2 THR 22 1.213 -10.787 5.132
135 3HG2 THR 22 3HG2 THR 22 2.562 -9.916 4.401
136 H TRP 23 H TRP 23 1.209 -6.203 4.861
137 HA TRP 23 HA TRP 23 2.184 -5.583 7.625
138 1HB TRP 23 1HB TRP 23 3.229 -4.525 4.985
139 2HB TRP 23 2HB TRP 23 4.058 -4.552 6.536
140 HD1 TRP 23 HD1 TRP 23 4.560 -6.107 3.503
141 HE1 TRP 23 HE1 TRP 23 5.340 -8.558 3.675
142 HE3 TRP 23 HE3 TRP 23 3.230 -7.124 8.332
143 HZ2 TRP 23 HZ2 TRP 23 5.395 -10.670 5.605
144 HZ3 TRP 23 HZ3 TRP 23 3.658 -9.360 9.308
145 HH2 TRP 23 HH2 TRP 23 4.738 -11.132 7.954
146 H LYS 24 H LYS 24 -0.312 -4.663 5.687
147 HA LYS 24 HA LYS 24 -1.635 -2.728 5.505
148 1HB LYS 24 1HB LYS 24 -0.251 -2.660 8.148
149 2HB LYS 24 2HB LYS 24 -1.091 -1.192 7.647
150 1HG LYS 24 1HG LYS 24 -3.177 -2.265 7.546
151 2HG LYS 24 2HG LYS 24 -2.451 -3.870 7.441
152 1HD LYS 24 1HD LYS 24 -1.957 -3.944 9.722
153 2HD LYS 24 2HD LYS 24 -1.977 -2.188 9.885
154 1HE LYS 24 1HE LYS 24 -4.516 -3.589 9.089
155 2HE LYS 24 2HE LYS 24 -4.021 -3.599 10.792
156 1HZ LYS 24 1HZ LYS 24 -3.594 -1.029 9.683
157 2HZ LYS 24 2HZ LYS 24 -5.198 -1.499 9.397
158 3HZ LYS 24 3HZ LYS 24 -4.593 -1.474 10.983
159 H TRP 25 H TRP 25 0.185 -2.402 3.656
160 HA TRP 25 HA TRP 25 1.011 0.431 3.913
161 1HB TRP 25 1HB TRP 25 3.288 0.025 3.746
162 2HB TRP 25 2HB TRP 25 2.789 -1.390 4.663
163 HD1 TRP 25 HD1 TRP 25 4.558 -0.388 1.609
164 HE1 TRP 25 HE1 TRP 25 5.039 -2.423 0.113
165 HE3 TRP 25 HE3 TRP 25 1.546 -3.857 3.838
166 HZ2 TRP 25 HZ2 TRP 25 4.261 -5.161 -0.114
167 HZ3 TRP 25 HZ3 TRP 25 1.439 -6.171 2.958
168 HH2 TRP 25 HH2 TRP 25 2.790 -6.827 0.989
169 H CYS 26 H CYS 26 1.919 1.202 1.707
170 HA CYS 26 HA CYS 26 0.004 0.474 -0.371
171 1HB CYS 26 1HB CYS 26 2.436 2.291 -0.328
172 2HB CYS 26 2HB CYS 26 1.222 2.263 -1.606
173 H VAL 27 H VAL 27 0.313 -0.995 -1.987
174 HA VAL 27 HA VAL 27 3.109 -1.940 -2.556
175 HB VAL 27 HB VAL 27 0.688 -3.698 -2.871
176 1HG1 VAL 27 1HG1 VAL 27 3.635 -4.038 -2.341
177 2HG1 VAL 27 2HG1 VAL 27 2.503 -5.354 -2.028
178 3HG1 VAL 27 3HG1 VAL 27 2.666 -4.700 -3.658
179 1HG2 VAL 27 1HG2 VAL 27 1.956 -2.844 -0.277
180 2HG2 VAL 27 2HG2 VAL 27 0.251 -3.101 -0.647
181 3HG2 VAL 27 3HG2 VAL 27 1.327 -4.483 -0.445
182 H LEU 28 H LEU 28 3.225 -2.969 -4.804
183 HA LEU 28 HA LEU 28 2.206 -1.167 -6.808
184 1HB LEU 28 1HB LEU 28 4.310 -2.508 -6.917
185 2HB LEU 28 2HB LEU 28 3.340 -3.974 -7.056
186 HG LEU 28 HG LEU 28 2.215 -2.608 -9.051
187 1HD1 LEU 28 1HD1 LEU 28 3.791 -0.646 -8.439
188 2HD1 LEU 28 2HD1 LEU 28 5.057 -1.606 -9.204
189 3HD1 LEU 28 3HD1 LEU 28 3.657 -1.086 -10.141
190 1HD2 LEU 28 1HD2 LEU 28 4.056 -4.692 -8.818
191 2HD2 LEU 28 2HD2 LEU 28 3.198 -4.227 -10.287
192 3HD2 LEU 28 3HD2 LEU 28 4.811 -3.589 -9.968
193 H ALA 29 H ALA 29 0.431 -1.399 -8.196
194 HA ALA 29 HA ALA 29 -1.716 -3.207 -7.355
195 1HB ALA 29 1HB ALA 29 -1.318 -1.083 -9.468
196 2HB ALA 29 2HB ALA 29 -2.800 -2.038 -9.402
197 3HB ALA 29 3HB ALA 29 -2.344 -1.023 -8.035
198 H GLY 30 H GLY 30 -1.115 -5.350 -7.859
199 1HA GLY 30 1HA GLY 30 -0.906 -5.957 -10.776
200 2HA GLY 30 2HA GLY 30 0.198 -6.720 -9.633
201 HA PRO 31 HA PRO 31 0.147 -7.398 -7.647
202 1HB PRO 31 1HB PRO 31 0.630 -9.926 -6.730
203 2HB PRO 31 2HB PRO 31 -0.521 -8.824 -5.951
204 1HG PRO 31 2HG PRO 31 -1.978 -10.526 -6.371
205 2HG PRO 31 1HG PRO 31 -1.028 -11.136 -7.732
206 1HD PRO 31 1HD PRO 31 -2.570 -10.105 -9.042
207 2HD PRO 31 2HD PRO 31 -3.179 -9.126 -7.691
208 H TRP 32 H TRP 32 2.415 -8.036 -8.017
209 HA TRP 32 HA TRP 32 2.803 -9.463 -10.627
210 1HB TRP 32 1HB TRP 32 3.405 -6.905 -9.952
211 2HB TRP 32 2HB TRP 32 4.905 -7.702 -9.477
212 HD1 TRP 32 HD1 TRP 32 2.526 -8.003 -12.527
213 HE1 TRP 32 HE1 TRP 32 3.972 -8.066 -14.661
214 HE3 TRP 32 HE3 TRP 32 7.176 -7.632 -10.451
215 HZ2 TRP 32 HZ2 TRP 32 6.736 -7.969 -15.389
216 HZ3 TRP 32 HZ3 TRP 32 9.196 -7.618 -11.886
217 HH2 TRP 32 HH2 TRP 32 8.982 -7.785 -14.350
No H/Q in entry = 217
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 5.818 -1.624 -11.270
2 H2 GLY 1 H2 GLY 1 6.842 -2.582 -10.315
3 H3 GLY 1 H3 GLY 1 6.030 -3.268 -11.641
4 1HA GLY 1 1HA GLY 1 3.908 -2.973 -10.578
5 2HA GLY 1 2HA GLY 1 4.992 -3.878 -9.521
6 H CYS 2 H CYS 2 2.866 -2.551 -8.369
7 HA CYS 2 HA CYS 2 3.845 0.062 -7.361
8 1HB CYS 2 1HB CYS 2 1.316 -1.500 -6.756
9 2HB CYS 2 2HB CYS 2 1.606 0.202 -6.401
10 H LEU 3 H LEU 3 3.833 -3.282 -6.375
11 HA LEU 3 HA LEU 3 3.768 -2.996 -3.534
12 1HB LEU 3 1HB LEU 3 3.893 -5.045 -5.316
13 2HB LEU 3 2HB LEU 3 5.555 -5.046 -4.722
14 HG LEU 3 HG LEU 3 3.350 -4.816 -2.715
15 1HD1 LEU 3 1HD1 LEU 3 3.710 -7.077 -4.552
16 2HD1 LEU 3 2HD1 LEU 3 3.819 -7.543 -2.854
17 3HD1 LEU 3 3HD1 LEU 3 2.376 -6.724 -3.454
18 1HD2 LEU 3 1HD2 LEU 3 6.064 -6.168 -2.824
19 2HD2 LEU 3 2HD2 LEU 3 5.653 -4.689 -1.956
20 3HD2 LEU 3 3HD2 LEU 3 4.983 -6.234 -1.431
21 H GLY 4 H GLY 4 5.110 -1.656 -2.429
22 1HA GLY 4 1HA GLY 4 7.530 -1.664 -1.579
23 2HA GLY 4 2HA GLY 4 7.975 -1.492 -3.277
24 H ASP 5 H ASP 5 5.598 0.294 -3.760
25 HA ASP 5 HA ASP 5 6.870 2.831 -3.362
26 1HB ASP 5 1HB ASP 5 4.130 1.839 -4.132
27 2HB ASP 5 2HB ASP 5 4.420 3.568 -3.939
28 H LYS 6 H LYS 6 7.170 3.705 -1.353
29 HA LYS 6 HA LYS 6 5.651 3.032 0.996
30 1HB LYS 6 1HB LYS 6 7.594 5.210 0.217
31 2HB LYS 6 2HB LYS 6 6.865 5.175 1.822
32 1HG LYS 6 1HG LYS 6 7.738 2.921 2.208
33 2HG LYS 6 2HG LYS 6 8.412 2.880 0.578
34 1HD LYS 6 1HD LYS 6 9.246 5.263 2.051
35 2HD LYS 6 2HD LYS 6 9.725 3.775 2.868
36 1HE LYS 6 2HE LYS 6 10.389 3.134 0.306
37 2HE LYS 6 1HE LYS 6 11.519 3.925 1.422
38 1HZ LYS 6 1HZ LYS 6 10.535 6.080 0.654
39 2HZ LYS 6 2HZ LYS 6 11.402 5.250 -0.544
40 3HZ LYS 6 3HZ LYS 6 9.704 5.217 -0.551
41 H CYS 7 H CYS 7 3.731 3.852 1.721
42 HA CYS 7 HA CYS 7 2.570 6.225 0.297
43 1HB CYS 7 1HB CYS 7 1.480 3.940 0.178
44 2HB CYS 7 2HB CYS 7 1.197 4.057 1.913
45 H ASP 8 H ASP 8 1.902 7.988 1.538
46 HA ASP 8 HA ASP 8 1.820 7.760 4.498
47 1HB ASP 8 1HB ASP 8 3.876 9.182 2.846
48 2HB ASP 8 2HB ASP 8 3.381 9.917 4.372
49 H TYR 9 H TYR 9 1.910 10.307 1.945
50 HA TYR 9 HA TYR 9 -0.418 11.600 3.299
51 1HB TYR 9 1HB TYR 9 2.051 12.475 2.106
52 2HB TYR 9 2HB TYR 9 0.704 13.225 1.249
53 HD1 TYR 9 HD1 TYR 9 1.512 12.330 4.817
54 HD2 TYR 9 HD2 TYR 9 0.073 15.304 2.068
55 HE1 TYR 9 HE1 TYR 9 1.193 13.915 6.697
56 HE2 TYR 9 HE2 TYR 9 -0.246 16.888 3.949
57 HH TYR 9 HH TYR 9 1.100 16.861 6.622
58 H ASN 10 H ASN 10 0.636 11.679 -0.122
59 HA ASN 10 HA ASN 10 -2.038 10.581 -0.897
60 1HB ASN 10 1HB ASN 10 -0.748 13.218 -1.556
61 2HB ASN 10 2HB ASN 10 -1.841 12.477 -2.726
62 2HD2 ASN 10 1HD2 ASN 10 -1.907 14.735 -0.348
63 1HD2 ASN 10 2HD2 ASN 10 -3.486 14.514 0.235
64 H ASN 11 H ASN 11 0.045 8.903 -1.002
65 HA ASN 11 HA ASN 11 1.702 9.040 -3.366
66 1HB ASN 11 1HB ASN 11 1.343 7.406 -1.089
67 2HB ASN 11 2HB ASN 11 1.114 6.343 -2.478
68 2HD2 ASN 11 1HD2 ASN 11 3.397 8.854 -1.249
69 1HD2 ASN 11 2HD2 ASN 11 4.773 8.160 -1.961
70 H GLY 12 H GLY 12 -1.278 7.137 -2.688
71 1HA GLY 12 1HA GLY 12 -2.994 6.490 -4.165
72 2HA GLY 12 2HA GLY 12 -2.250 7.502 -5.401
73 H CYS 13 H CYS 13 -2.369 4.284 -4.026
74 HA CYS 13 HA CYS 13 -0.259 3.213 -5.782
75 1HB CYS 13 1HB CYS 13 -2.329 1.699 -4.170
76 2HB CYS 13 2HB CYS 13 -0.716 1.162 -4.628
77 H CYS 14 H CYS 14 -0.806 1.397 -7.319
78 HA CYS 14 HA CYS 14 -3.004 2.158 -9.089
79 1HB CYS 14 1HB CYS 14 -2.088 0.274 -10.443
80 2HB CYS 14 2HB CYS 14 -0.823 1.379 -9.908
81 H SER 15 H SER 15 -4.382 0.183 -9.988
82 HA SER 15 HA SER 15 -6.212 -0.663 -7.988
83 1HB SER 15 1HB SER 15 -7.030 -2.156 -9.814
84 2HB SER 15 2HB SER 15 -6.717 -0.517 -10.378
85 HG SER 15 HG SER 15 -5.530 -2.875 -11.073
86 H GLY 16 H GLY 16 -6.358 -2.521 -6.731
87 1HA GLY 16 1HA GLY 16 -5.815 -4.700 -5.956
88 2HA GLY 16 2HA GLY 16 -4.578 -4.814 -7.205
89 H TYR 17 H TYR 17 -4.131 -1.866 -5.694
90 HA TYR 17 HA TYR 17 -2.308 -3.019 -3.618
91 1HB TYR 17 1HB TYR 17 -1.804 -1.190 -5.940
92 2HB TYR 17 2HB TYR 17 -0.852 -0.963 -4.472
93 HD1 TYR 17 HD1 TYR 17 0.447 -2.905 -3.531
94 HD2 TYR 17 HD2 TYR 17 -1.391 -3.024 -7.407
95 HE1 TYR 17 HE1 TYR 17 1.876 -4.829 -4.146
96 HE2 TYR 17 HE2 TYR 17 0.040 -4.951 -8.027
97 HH TYR 17 HH TYR 17 1.386 -6.894 -6.213
98 H VAL 18 H VAL 18 -2.346 -1.894 -1.677
99 HA VAL 18 HA VAL 18 -3.624 0.811 -1.615
100 HB VAL 18 HB VAL 18 -4.952 0.008 0.362
101 1HG1 VAL 18 1HG1 VAL 18 -5.711 -0.050 -2.125
102 2HG1 VAL 18 2HG1 VAL 18 -5.516 -1.797 -1.983
103 3HG1 VAL 18 3HG1 VAL 18 -6.659 -0.950 -0.941
104 1HG2 VAL 18 1HG2 VAL 18 -3.185 -2.170 0.241
105 2HG2 VAL 18 2HG2 VAL 18 -4.606 -2.030 1.276
106 3HG2 VAL 18 3HG2 VAL 18 -4.734 -2.822 -0.294
107 H CYS 19 H CYS 19 -3.121 1.996 0.397
108 HA CYS 19 HA CYS 19 -0.366 1.653 1.256
109 1HB CYS 19 2HB CYS 19 -0.873 3.634 2.604
110 2HB CYS 19 1HB CYS 19 -2.603 3.362 2.403
111 H SER 20 H SER 20 0.159 -0.018 2.638
112 HA SER 20 HA SER 20 -1.805 -1.027 4.602
113 1HB SER 20 1HB SER 20 -0.275 -2.411 3.112
114 2HB SER 20 2HB SER 20 1.062 -1.864 4.120
115 HG SER 20 HG SER 20 0.317 -3.031 5.757
116 H ARG 21 H ARG 21 -1.253 -1.212 6.894
117 HA ARG 21 HA ARG 21 0.205 1.153 7.919
118 1HB ARG 21 1HB ARG 21 -1.912 -0.680 8.742
119 2HB ARG 21 2HB ARG 21 -0.734 -0.439 10.031
120 1HG ARG 21 1HG ARG 21 -0.972 2.105 9.345
121 2HG ARG 21 2HG ARG 21 -2.523 1.564 8.702
122 1HD ARG 21 1HD ARG 21 -2.931 0.468 10.988
123 2HD ARG 21 2HD ARG 21 -1.547 1.417 11.565
124 HE ARG 21 HE ARG 21 -3.468 3.021 10.061
125 1HH1 ARG 21 1HH1 ARG 21 -2.266 4.591 11.992
126 2HH1 ARG 21 2HH1 ARG 21 -3.269 4.508 13.401
127 1HH2 ARG 21 1HH2 ARG 21 -4.933 1.637 12.369
128 2HH2 ARG 21 2HH2 ARG 21 -4.783 2.830 13.615
129 H THR 22 H THR 22 0.300 -2.408 8.311
130 HA THR 22 HA THR 22 2.663 -2.499 9.953
131 HB THR 22 HB THR 22 1.341 -4.473 8.058
132 HG1 THR 22 HG1 THR 22 -0.025 -4.523 9.630
133 1HG2 THR 22 1HG2 THR 22 3.752 -5.010 8.570
134 2HG2 THR 22 2HG2 THR 22 3.312 -5.076 10.277
135 3HG2 THR 22 3HG2 THR 22 2.603 -6.221 9.138
136 H TRP 23 H TRP 23 2.154 -2.645 6.433
137 HA TRP 23 HA TRP 23 5.050 -2.949 5.909
138 1HB TRP 23 2HB TRP 23 4.279 -3.202 3.599
139 2HB TRP 23 1HB TRP 23 2.677 -2.625 4.041
140 HD1 TRP 23 HD1 TRP 23 1.259 -4.742 3.694
141 HE1 TRP 23 HE1 TRP 23 1.251 -7.105 4.723
142 HE3 TRP 23 HE3 TRP 23 5.665 -4.598 6.275
143 HZ2 TRP 23 HZ2 TRP 23 2.894 -8.720 6.417
144 HZ3 TRP 23 HZ3 TRP 23 6.417 -6.559 7.586
145 HH2 TRP 23 HH2 TRP 23 5.039 -8.619 7.661
146 H LYS 24 H LYS 24 2.528 -0.464 5.713
147 HA LYS 24 HA LYS 24 2.696 1.867 5.448
148 1HB LYS 24 1HB LYS 24 5.148 0.927 6.577
149 2HB LYS 24 2HB LYS 24 5.540 2.190 5.411
150 1HG LYS 24 1HG LYS 24 4.693 3.800 6.742
151 2HG LYS 24 2HG LYS 24 3.205 2.890 7.004
152 1HD LYS 24 1HD LYS 24 4.128 1.683 8.825
153 2HD LYS 24 2HD LYS 24 5.777 2.144 8.400
154 1HE LYS 24 2HE LYS 24 4.893 4.600 8.795
155 2HE LYS 24 1HE LYS 24 5.295 3.592 10.199
156 1HZ LYS 24 1HZ LYS 24 2.964 2.856 10.240
157 2HZ LYS 24 2HZ LYS 24 3.086 4.538 10.447
158 3HZ LYS 24 3HZ LYS 24 2.606 3.897 8.949
159 H TRP 25 H TRP 25 2.886 -0.040 3.091
160 HA TRP 25 HA TRP 25 3.700 2.007 1.122
161 1HB TRP 25 1HB TRP 25 5.393 0.695 0.097
162 2HB TRP 25 2HB TRP 25 5.691 0.508 1.818
163 HD1 TRP 25 HD1 TRP 25 3.639 -1.364 -0.888
164 HE1 TRP 25 HE1 TRP 25 3.896 -3.891 -0.487
165 HE3 TRP 25 HE3 TRP 25 6.634 -1.296 3.239
166 HZ2 TRP 25 HZ2 TRP 25 5.209 -5.658 1.335
167 HZ3 TRP 25 HZ3 TRP 25 7.377 -3.415 4.283
168 HH2 TRP 25 HH2 TRP 25 6.673 -5.594 3.337
169 H CYS 26 H CYS 26 3.182 1.027 -1.210
170 HA CYS 26 HA CYS 26 0.393 0.216 -1.175
171 1HB CYS 26 1HB CYS 26 2.464 0.302 -3.389
172 2HB CYS 26 2HB CYS 26 0.724 0.166 -3.634
173 H VAL 27 H VAL 27 0.118 -1.831 -0.273
174 HA VAL 27 HA VAL 27 1.746 -4.087 -1.381
175 HB VAL 27 HB VAL 27 -0.111 -4.438 0.932
176 1HG1 VAL 27 1HG1 VAL 27 1.798 -5.978 -0.227
177 2HG1 VAL 27 2HG1 VAL 27 2.751 -5.195 1.033
178 3HG1 VAL 27 3HG1 VAL 27 1.320 -6.131 1.464
179 1HG2 VAL 27 1HG2 VAL 27 2.334 -2.667 0.976
180 2HG2 VAL 27 2HG2 VAL 27 0.743 -2.351 1.659
181 3HG2 VAL 27 3HG2 VAL 27 1.809 -3.531 2.418
182 H LEU 28 H LEU 28 0.607 -6.060 -1.977
183 HA LEU 28 HA LEU 28 -1.696 -5.700 -3.616
184 1HB LEU 28 1HB LEU 28 0.025 -7.508 -3.754
185 2HB LEU 28 2HB LEU 28 -0.632 -8.208 -2.275
186 HG LEU 28 HG LEU 28 -2.909 -8.153 -3.587
187 1HD1 LEU 28 1HD1 LEU 28 -1.009 -7.272 -5.577
188 2HD1 LEU 28 2HD1 LEU 28 -1.730 -8.804 -6.074
189 3HD1 LEU 28 3HD1 LEU 28 -2.761 -7.420 -5.711
190 1HD2 LEU 28 1HD2 LEU 28 -0.678 -10.103 -4.247
191 2HD2 LEU 28 2HD2 LEU 28 -1.761 -10.202 -2.859
192 3HD2 LEU 28 3HD2 LEU 28 -2.397 -10.409 -4.491
193 H ALA 29 H ALA 29 -3.884 -5.809 -3.150
194 HA ALA 29 HA ALA 29 -4.687 -6.070 -0.303
195 1HB ALA 29 2HB ALA 29 -6.389 -5.398 -2.715
196 2HB ALA 29 1HB ALA 29 -5.348 -4.202 -1.942
197 3HB ALA 29 3HB ALA 29 -6.665 -4.943 -1.034
198 H GLY 30 H GLY 30 -3.973 -8.548 -0.940
199 1HA GLY 30 1HA GLY 30 -6.254 -10.015 -2.125
200 2HA GLY 30 2HA GLY 30 -4.701 -10.715 -1.669
201 HA PRO 31 HA PRO 31 -5.710 -12.582 -1.708
202 1HB PRO 31 1HB PRO 31 -7.758 -14.374 -1.439
203 2HB PRO 31 2HB PRO 31 -6.240 -14.497 -0.528
204 1HG PRO 31 2HG PRO 31 -7.685 -14.419 1.245
205 2HG PRO 31 1HG PRO 31 -8.894 -13.488 0.349
206 1HD PRO 31 1HD PRO 31 -8.060 -11.717 1.528
207 2HD PRO 31 2HD PRO 31 -6.533 -12.555 1.880
208 H TRP 32 H TRP 32 -6.925 -13.009 -3.739
209 HA TRP 32 HA TRP 32 -8.493 -12.502 -5.429
210 1HB TRP 32 1HB TRP 32 -9.975 -12.860 -3.202
211 2HB TRP 32 2HB TRP 32 -10.320 -11.155 -3.489
212 HD1 TRP 32 HD1 TRP 32 -10.632 -10.859 -6.461
213 HE1 TRP 32 HE1 TRP 32 -12.430 -12.116 -7.814
214 HE3 TRP 32 HE3 TRP 32 -11.601 -14.725 -3.265
215 HZ2 TRP 32 HZ2 TRP 32 -14.061 -14.450 -7.575
216 HZ3 TRP 32 HZ3 TRP 32 -13.284 -16.447 -3.852
217 HH2 TRP 32 HH2 TRP 32 -14.514 -16.315 -6.001
No H/Q in entry = 217
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 6.242 -6.386 9.755
2 H2 GLY 1 H2 GLY 1 7.765 -5.687 9.475
3 H3 GLY 1 H3 GLY 1 6.420 -4.700 9.796
4 1HA GLY 1 1HA GLY 1 6.934 -4.645 7.449
5 2HA GLY 1 2HA GLY 1 6.803 -6.403 7.392
6 H CYS 2 H CYS 2 5.113 -3.607 6.808
7 HA CYS 2 HA CYS 2 2.451 -4.816 7.447
8 1HB CYS 2 1HB CYS 2 3.241 -2.001 6.625
9 2HB CYS 2 2HB CYS 2 1.656 -2.508 7.209
10 H LEU 3 H LEU 3 4.203 -5.588 5.094
11 HA LEU 3 HA LEU 3 2.838 -4.464 2.738
12 1HB LEU 3 1HB LEU 3 5.276 -5.083 2.875
13 2HB LEU 3 2HB LEU 3 4.793 -6.773 3.008
14 HG LEU 3 HG LEU 3 3.414 -5.585 0.782
15 1HD1 LEU 3 1HD1 LEU 3 6.167 -4.670 1.176
16 2HD1 LEU 3 2HD1 LEU 3 5.946 -5.511 -0.359
17 3HD1 LEU 3 3HD1 LEU 3 4.952 -4.108 0.029
18 1HD2 LEU 3 1HD2 LEU 3 5.372 -7.800 1.293
19 2HD2 LEU 3 2HD2 LEU 3 3.720 -7.890 0.683
20 3HD2 LEU 3 3HD2 LEU 3 5.021 -7.344 -0.374
21 H GLY 4 H GLY 4 0.756 -5.176 2.435
22 1HA GLY 4 1HA GLY 4 -0.267 -7.360 1.426
23 2HA GLY 4 2HA GLY 4 0.128 -8.036 3.007
24 H ASP 5 H ASP 5 -0.526 -5.255 4.194
25 HA ASP 5 HA ASP 5 -3.246 -5.823 4.953
26 1HB ASP 5 1HB ASP 5 -1.457 -3.380 5.147
27 2HB ASP 5 2HB ASP 5 -3.040 -3.476 5.918
28 H LYS 6 H LYS 6 -4.872 -5.707 3.447
29 HA LYS 6 HA LYS 6 -4.824 -4.108 1.061
30 1HB LYS 6 2HB LYS 6 -6.157 -6.159 1.372
31 2HB LYS 6 1HB LYS 6 -7.197 -4.811 0.916
32 1HG LYS 6 1HG LYS 6 -6.841 -6.054 3.651
33 2HG LYS 6 2HG LYS 6 -7.571 -4.464 3.439
34 1HD LYS 6 1HD LYS 6 -9.324 -6.166 3.509
35 2HD LYS 6 2HD LYS 6 -9.244 -5.464 1.893
36 1HE LYS 6 2HE LYS 6 -7.727 -7.423 1.249
37 2HE LYS 6 1HE LYS 6 -9.403 -7.869 1.621
38 1HZ LYS 6 1HZ LYS 6 -8.633 -8.194 3.970
39 2HZ LYS 6 2HZ LYS 6 -7.986 -9.306 2.867
40 3HZ LYS 6 3HZ LYS 6 -7.035 -8.013 3.421
41 H CYS 7 H CYS 7 -5.931 -2.155 0.576
42 HA CYS 7 HA CYS 7 -7.241 -0.675 2.796
43 1HB CYS 7 1HB CYS 7 -5.695 1.202 2.539
44 2HB CYS 7 2HB CYS 7 -4.772 -0.261 2.878
45 H ASP 8 H ASP 8 -8.455 1.199 1.993
46 HA ASP 8 HA ASP 8 -9.014 1.049 -0.952
47 1HB ASP 8 1HB ASP 8 -10.657 0.476 1.180
48 2HB ASP 8 2HB ASP 8 -11.075 2.158 0.846
49 H TYR 9 H TYR 9 -9.492 3.354 1.781
50 HA TYR 9 HA TYR 9 -8.202 5.488 0.148
51 1HB TYR 9 1HB TYR 9 -11.068 5.254 0.987
52 2HB TYR 9 2HB TYR 9 -10.340 6.860 0.963
53 HD1 TYR 9 HD1 TYR 9 -8.920 7.411 -1.210
54 HD2 TYR 9 HD2 TYR 9 -11.997 4.421 -0.988
55 HE1 TYR 9 HE1 TYR 9 -9.177 7.494 -3.674
56 HE2 TYR 9 HE2 TYR 9 -12.255 4.504 -3.453
57 HH TYR 9 HH TYR 9 -11.595 6.656 -5.297
58 H ASN 10 H ASN 10 -10.058 5.065 3.204
59 HA ASN 10 HA ASN 10 -8.007 6.747 4.592
60 1HB ASN 10 1HB ASN 10 -10.853 6.632 4.532
61 2HB ASN 10 2HB ASN 10 -10.352 6.155 6.154
62 2HD2 ASN 10 1HD2 ASN 10 -9.027 7.720 7.399
63 1HD2 ASN 10 2HD2 ASN 10 -9.034 9.365 6.982
64 H ASN 11 H ASN 11 -7.433 3.950 4.017
65 HA ASN 11 HA ASN 11 -7.976 2.299 6.346
66 1HB ASN 11 1HB ASN 11 -7.528 1.386 4.116
67 2HB ASN 11 2HB ASN 11 -5.939 2.149 4.097
68 2HD2 ASN 11 1HD2 ASN 11 -7.860 -0.341 5.835
69 1HD2 ASN 11 2HD2 ASN 11 -6.514 -1.224 6.372
70 H GLY 12 H GLY 12 -4.925 3.778 5.141
71 1HA GLY 12 1HA GLY 12 -3.326 4.963 6.488
72 2HA GLY 12 2HA GLY 12 -4.135 4.360 7.936
73 H CYS 13 H CYS 13 -1.698 3.689 5.539
74 HA CYS 13 HA CYS 13 -1.187 0.954 6.569
75 1HB CYS 13 1HB CYS 13 0.148 2.693 4.463
76 2HB CYS 13 2HB CYS 13 0.540 1.000 4.763
77 H CYS 14 H CYS 14 1.425 0.621 6.755
78 HA CYS 14 HA CYS 14 2.245 2.105 9.123
79 1HB CYS 14 1HB CYS 14 3.441 0.011 7.304
80 2HB CYS 14 2HB CYS 14 4.396 0.725 8.603
81 H SER 15 H SER 15 4.225 3.429 9.245
82 HA SER 15 HA SER 15 4.417 5.491 7.311
83 1HB SER 15 1HB SER 15 6.534 6.018 8.541
84 2HB SER 15 2HB SER 15 5.194 5.666 9.628
85 HG SER 15 HG SER 15 7.534 4.494 9.548
86 H GLY 16 H GLY 16 5.213 5.403 5.256
87 1HA GLY 16 1HA GLY 16 7.126 5.026 3.765
88 2HA GLY 16 2HA GLY 16 7.512 3.581 4.698
89 H TYR 17 H TYR 17 4.512 2.926 4.742
90 HA TYR 17 HA TYR 17 4.495 1.474 2.151
91 1HB TYR 17 1HB TYR 17 3.150 1.298 4.826
92 2HB TYR 17 2HB TYR 17 2.351 0.555 3.442
93 HD1 TYR 17 HD1 TYR 17 3.631 -1.130 2.040
94 HD2 TYR 17 HD2 TYR 17 5.038 0.271 5.848
95 HE1 TYR 17 HE1 TYR 17 5.167 -3.070 2.187
96 HE2 TYR 17 HE2 TYR 17 6.574 -1.669 5.995
97 HH TYR 17 HH TYR 17 6.324 -4.328 4.505
98 H VAL 18 H VAL 18 2.878 1.793 0.582
99 HA VAL 18 HA VAL 18 0.866 3.959 1.101
100 HB VAL 18 HB VAL 18 1.329 4.762 -1.197
101 1HG1 VAL 18 1HG1 VAL 18 2.774 5.304 0.987
102 2HG1 VAL 18 2HG1 VAL 18 4.051 4.574 0.013
103 3HG1 VAL 18 3HG1 VAL 18 3.181 5.987 -0.587
104 1HG2 VAL 18 1HG2 VAL 18 2.754 2.225 -1.338
105 2HG2 VAL 18 2HG2 VAL 18 2.259 3.297 -2.646
106 3HG2 VAL 18 3HG2 VAL 18 3.793 3.565 -1.819
107 H CYS 19 H CYS 19 -1.057 3.793 -0.327
108 HA CYS 19 HA CYS 19 -1.929 1.025 -0.682
109 1HB CYS 19 1HB CYS 19 -3.071 3.785 -1.068
110 2HB CYS 19 2HB CYS 19 -3.945 2.382 -1.683
111 H SER 20 H SER 20 -1.427 -0.145 -2.476
112 HA SER 20 HA SER 20 -0.596 1.213 -4.970
113 1HB SER 20 1HB SER 20 0.746 -0.616 -4.147
114 2HB SER 20 2HB SER 20 -0.668 -1.651 -3.989
115 HG SER 20 HG SER 20 0.883 -1.115 -6.160
116 H ARG 21 H ARG 21 -1.646 0.776 -7.020
117 HA ARG 21 HA ARG 21 -4.556 0.400 -6.810
118 1HB ARG 21 1HB ARG 21 -2.838 1.852 -8.407
119 2HB ARG 21 2HB ARG 21 -3.272 0.512 -9.469
120 1HG ARG 21 1HG ARG 21 -5.356 2.076 -7.939
121 2HG ARG 21 2HG ARG 21 -4.802 2.576 -9.537
122 1HD ARG 21 1HD ARG 21 -5.462 -0.283 -9.438
123 2HD ARG 21 2HD ARG 21 -6.849 0.755 -9.058
124 HE ARG 21 HE ARG 21 -5.359 1.786 -11.321
125 1HH1 ARG 21 1HH1 ARG 21 -8.047 2.200 -11.768
126 2HH1 ARG 21 2HH1 ARG 21 -8.628 0.837 -12.665
127 1HH2 ARG 21 1HH2 ARG 21 -5.926 -1.189 -11.846
128 2HH2 ARG 21 2HH2 ARG 21 -7.424 -1.087 -12.711
129 H THR 22 H THR 22 -1.854 -1.240 -8.516
130 HA THR 22 HA THR 22 -3.418 -3.446 -9.516
131 HB THR 22 HB THR 22 -0.473 -2.997 -8.938
132 HG1 THR 22 HG1 THR 22 -0.486 -2.187 -10.869
133 1HG2 THR 22 1HG2 THR 22 -1.860 -5.335 -10.266
134 2HG2 THR 22 2HG2 THR 22 -0.153 -4.967 -10.516
135 3HG2 THR 22 3HG2 THR 22 -0.740 -5.374 -8.904
136 H TRP 23 H TRP 23 -1.347 -3.065 -6.629
137 HA TRP 23 HA TRP 23 -1.949 -5.756 -5.637
138 1HB TRP 23 2HB TRP 23 -0.503 -5.007 -3.779
139 2HB TRP 23 1HB TRP 23 -0.578 -3.358 -4.381
140 HD1 TRP 23 HD1 TRP 23 1.870 -3.024 -5.110
141 HE1 TRP 23 HE1 TRP 23 3.384 -4.121 -6.886
142 HE3 TRP 23 HE3 TRP 23 -1.026 -7.039 -6.401
143 HZ2 TRP 23 HZ2 TRP 23 3.370 -6.397 -8.618
144 HZ3 TRP 23 HZ3 TRP 23 -0.250 -8.648 -8.109
145 HH2 TRP 23 HH2 TRP 23 1.943 -8.336 -9.220
146 H LYS 24 H LYS 24 -3.116 -2.469 -5.041
147 HA LYS 24 HA LYS 24 -4.968 -1.690 -3.811
148 1HB LYS 24 1HB LYS 24 -5.509 -4.525 -4.492
149 2HB LYS 24 2HB LYS 24 -6.490 -3.865 -3.185
150 1HG LYS 24 1HG LYS 24 -7.676 -2.558 -4.595
151 2HG LYS 24 2HG LYS 24 -6.226 -2.013 -5.439
152 1HD LYS 24 1HD LYS 24 -6.258 -3.820 -6.933
153 2HD LYS 24 2HD LYS 24 -7.257 -4.808 -5.867
154 1HE LYS 24 2HE LYS 24 -8.751 -2.448 -6.444
155 2HE LYS 24 1HE LYS 24 -9.086 -4.099 -7.000
156 1HZ LYS 24 1HZ LYS 24 -7.174 -2.189 -8.259
157 2HZ LYS 24 2HZ LYS 24 -7.499 -3.767 -8.799
158 3HZ LYS 24 3HZ LYS 24 -8.709 -2.577 -8.868
159 H TRP 25 H TRP 25 -2.442 -2.746 -2.406
160 HA TRP 25 HA TRP 25 -3.645 -2.734 0.310
161 1HB TRP 25 1HB TRP 25 -2.635 -4.776 0.972
162 2HB TRP 25 2HB TRP 25 -3.276 -5.117 -0.628
163 HD1 TRP 25 HD1 TRP 25 0.083 -3.865 0.853
164 HE1 TRP 25 HE1 TRP 25 1.999 -4.966 -0.466
165 HE3 TRP 25 HE3 TRP 25 -2.618 -6.588 -2.505
166 HZ2 TRP 25 HZ2 TRP 25 2.343 -6.779 -2.644
167 HZ3 TRP 25 HZ3 TRP 25 -1.470 -7.996 -4.185
168 HH2 TRP 25 HH2 TRP 25 1.001 -8.102 -4.258
169 H CYS 26 H CYS 26 -1.666 -2.655 1.973
170 HA CYS 26 HA CYS 26 -0.144 -0.278 1.325
171 1HB CYS 26 2HB CYS 26 0.750 -0.593 3.566
172 2HB CYS 26 1HB CYS 26 0.228 -2.275 3.576
173 H VAL 27 H VAL 27 1.326 -0.587 -0.343
174 HA VAL 27 HA VAL 27 3.342 -2.792 -0.041
175 HB VAL 27 HB VAL 27 3.009 -1.260 -2.591
176 1HG1 VAL 27 1HG1 VAL 27 4.608 -3.214 -2.138
177 2HG1 VAL 27 2HG1 VAL 27 3.175 -4.243 -2.131
178 3HG1 VAL 27 3HG1 VAL 27 3.605 -3.337 -3.583
179 1HG2 VAL 27 1HG2 VAL 27 0.878 -2.957 -1.349
180 2HG2 VAL 27 2HG2 VAL 27 0.718 -1.560 -2.409
181 3HG2 VAL 27 3HG2 VAL 27 1.162 -3.130 -3.079
182 H LEU 28 H LEU 28 5.588 -2.189 -0.574
183 HA LEU 28 HA LEU 28 6.387 0.352 0.557
184 1HB LEU 28 1HB LEU 28 7.513 -2.094 0.165
185 2HB LEU 28 2HB LEU 28 8.263 -1.194 -1.152
186 HG LEU 28 HG LEU 28 8.319 0.479 1.154
187 1HD1 LEU 28 1HD1 LEU 28 8.860 -2.413 1.672
188 2HD1 LEU 28 2HD1 LEU 28 9.954 -1.235 2.397
189 3HD1 LEU 28 3HD1 LEU 28 8.229 -1.177 2.760
190 1HD2 LEU 28 1HD2 LEU 28 10.277 -0.958 -0.609
191 2HD2 LEU 28 2HD2 LEU 28 10.039 0.775 -0.389
192 3HD2 LEU 28 3HD2 LEU 28 10.871 -0.166 0.850
193 H ALA 29 H ALA 29 6.576 2.294 -0.493
194 HA ALA 29 HA ALA 29 5.860 2.642 -3.262
195 1HB ALA 29 2HB ALA 29 7.407 4.522 -1.454
196 2HB ALA 29 1HB ALA 29 5.666 4.273 -1.324
197 3HB ALA 29 3HB ALA 29 6.351 4.962 -2.796
198 H GLY 30 H GLY 30 7.166 2.841 -5.086
199 1HA GLY 30 1HA GLY 30 10.114 2.948 -4.759
200 2HA GLY 30 2HA GLY 30 9.444 1.575 -5.641
201 HA PRO 31 HA PRO 31 10.799 1.293 -6.980
202 1HB PRO 31 1HB PRO 31 12.900 1.880 -8.628
203 2HB PRO 31 2HB PRO 31 11.363 1.219 -9.221
204 1HG PRO 31 2HG PRO 31 11.400 3.125 -10.481
205 2HG PRO 31 1HG PRO 31 12.379 4.007 -9.300
206 1HD PRO 31 1HD PRO 31 10.410 4.979 -8.705
207 2HD PRO 31 2HD PRO 31 9.446 3.695 -9.466
208 H TRP 32 H TRP 32 13.231 1.002 -6.322
209 HA TRP 32 HA TRP 32 14.042 3.325 -4.603
210 1HB TRP 32 1HB TRP 32 13.756 0.411 -4.228
211 2HB TRP 32 2HB TRP 32 15.247 1.079 -3.566
212 HD1 TRP 32 HD1 TRP 32 11.444 1.757 -3.454
213 HE1 TRP 32 HE1 TRP 32 10.874 2.748 -1.144
214 HE3 TRP 32 HE3 TRP 32 16.133 2.102 -1.465
215 HZ2 TRP 32 HZ2 TRP 32 12.231 3.578 1.235
216 HZ3 TRP 32 HZ3 TRP 32 16.466 2.994 0.822
217 HH2 TRP 32 HH2 TRP 32 14.523 3.732 2.174
No H/Q in entry = 217
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 1.465 -11.342 -6.186
2 H2 GLY 1 H2 GLY 1 0.419 -12.536 -5.581
3 H3 GLY 1 H3 GLY 1 0.227 -11.966 -7.167
4 1HA GLY 1 1HA GLY 1 -1.241 -10.503 -6.420
5 2HA GLY 1 2HA GLY 1 -0.861 -10.942 -4.755
6 H CYS 2 H CYS 2 -1.369 -8.293 -5.249
7 HA CYS 2 HA CYS 2 1.273 -6.942 -5.560
8 1HB CYS 2 1HB CYS 2 -1.605 -6.002 -5.497
9 2HB CYS 2 2HB CYS 2 -0.235 -4.897 -5.575
10 H LEU 3 H LEU 3 -0.485 -8.260 -3.039
11 HA LEU 3 HA LEU 3 -0.332 -6.130 -1.072
12 1HB LEU 3 1HB LEU 3 -1.769 -8.318 -1.215
13 2HB LEU 3 2HB LEU 3 -0.367 -9.085 -0.469
14 HG LEU 3 HG LEU 3 -1.202 -6.553 0.801
15 1HD1 LEU 3 1HD1 LEU 3 -3.334 -7.951 0.058
16 2HD1 LEU 3 2HD1 LEU 3 -2.893 -8.936 1.452
17 3HD1 LEU 3 3HD1 LEU 3 -3.247 -7.221 1.660
18 1HD2 LEU 3 1HD2 LEU 3 0.536 -8.354 1.532
19 2HD2 LEU 3 2HD2 LEU 3 -0.530 -7.674 2.761
20 3HD2 LEU 3 3HD2 LEU 3 -0.872 -9.264 2.080
21 H GLY 4 H GLY 4 1.766 -5.328 -0.814
22 1HA GLY 4 1HA GLY 4 3.647 -5.966 0.866
23 2HA GLY 4 2HA GLY 4 3.944 -7.292 -0.257
24 H ASP 5 H ASP 5 3.091 -5.219 -2.457
25 HA ASP 5 HA ASP 5 5.708 -4.536 -3.358
26 1HB ASP 5 1HB ASP 5 2.872 -3.769 -3.989
27 2HB ASP 5 2HB ASP 5 4.185 -2.882 -4.767
28 H LYS 6 H LYS 6 7.062 -2.970 -2.601
29 HA LYS 6 HA LYS 6 6.337 -1.086 -0.551
30 1HB LYS 6 2HB LYS 6 8.602 -2.080 -1.033
31 2HB LYS 6 1HB LYS 6 8.626 -0.329 -0.835
32 1HG LYS 6 1HG LYS 6 8.292 -1.533 -3.578
33 2HG LYS 6 2HG LYS 6 8.921 0.054 -3.133
34 1HD LYS 6 2HD LYS 6 10.855 -1.183 -2.005
35 2HD LYS 6 1HD LYS 6 10.827 -1.234 -3.768
36 1HE LYS 6 1HE LYS 6 10.353 -3.428 -1.797
37 2HE LYS 6 2HE LYS 6 9.365 -3.448 -3.271
38 1HZ LYS 6 1HZ LYS 6 12.319 -3.104 -3.229
39 2HZ LYS 6 2HZ LYS 6 11.531 -4.573 -3.557
40 3HZ LYS 6 3HZ LYS 6 11.338 -3.250 -4.606
41 H CYS 7 H CYS 7 6.057 1.187 -0.681
42 HA CYS 7 HA CYS 7 4.643 2.229 -2.951
43 1HB CYS 7 1HB CYS 7 5.174 2.935 -0.306
44 2HB CYS 7 2HB CYS 7 5.955 4.212 -1.238
45 H ASP 8 H ASP 8 5.346 3.881 -4.464
46 HA ASP 8 HA ASP 8 8.294 3.810 -5.021
47 1HB ASP 8 1HB ASP 8 5.997 3.212 -6.547
48 2HB ASP 8 2HB ASP 8 6.590 4.748 -7.179
49 H TYR 9 H TYR 9 5.563 6.012 -5.793
50 HA TYR 9 HA TYR 9 7.240 8.307 -4.825
51 1HB TYR 9 1HB TYR 9 6.467 7.630 -7.461
52 2HB TYR 9 2HB TYR 9 5.433 8.979 -6.995
53 HD1 TYR 9 HD1 TYR 9 6.958 10.712 -5.363
54 HD2 TYR 9 HD2 TYR 9 8.314 8.342 -8.679
55 HE1 TYR 9 HE1 TYR 9 8.843 12.284 -5.715
56 HE2 TYR 9 HE2 TYR 9 10.200 9.913 -9.031
57 HH TYR 9 HH TYR 9 11.446 11.752 -7.090
58 H ASN 10 H ASN 10 3.924 7.858 -6.113
59 HA ASN 10 HA ASN 10 2.869 9.178 -3.629
60 1HB ASN 10 1HB ASN 10 2.230 9.378 -6.562
61 2HB ASN 10 2HB ASN 10 0.975 9.746 -5.379
62 2HD2 ASN 10 1HD2 ASN 10 0.946 12.051 -5.644
63 1HD2 ASN 10 2HD2 ASN 10 2.281 13.036 -5.288
64 H ASN 11 H ASN 11 2.739 6.359 -5.665
65 HA ASN 11 HA ASN 11 0.669 5.178 -3.898
66 1HB ASN 11 1HB ASN 11 0.126 6.283 -6.448
67 2HB ASN 11 2HB ASN 11 0.111 4.534 -6.668
68 2HD2 ASN 11 1HD2 ASN 11 -1.993 6.968 -6.071
69 1HD2 ASN 11 2HD2 ASN 11 -3.109 6.169 -5.072
70 H GLY 12 H GLY 12 2.204 4.337 -7.035
71 1HA GLY 12 1HA GLY 12 3.412 2.437 -7.678
72 2HA GLY 12 2HA GLY 12 4.118 2.502 -6.065
73 H CYS 13 H CYS 13 0.680 1.988 -6.828
74 HA CYS 13 HA CYS 13 0.931 -0.799 -5.737
75 1HB CYS 13 1HB CYS 13 -1.093 1.392 -5.181
76 2HB CYS 13 2HB CYS 13 -1.323 -0.284 -4.683
77 H CYS 14 H CYS 14 -1.099 -2.111 -6.310
78 HA CYS 14 HA CYS 14 -1.659 -1.807 -9.197
79 1HB CYS 14 1HB CYS 14 -2.405 -3.868 -7.090
80 2HB CYS 14 2HB CYS 14 -2.761 -4.035 -8.809
81 H SER 15 H SER 15 -4.093 -2.347 -9.782
82 HA SER 15 HA SER 15 -5.760 -0.207 -8.827
83 1HB SER 15 1HB SER 15 -5.956 -2.580 -10.614
84 2HB SER 15 2HB SER 15 -7.483 -1.933 -10.020
85 HG SER 15 HG SER 15 -5.466 -0.667 -11.541
86 H GLY 16 H GLY 16 -6.659 -0.153 -6.804
87 1HA GLY 16 1HA GLY 16 -8.334 -1.012 -5.249
88 2HA GLY 16 2HA GLY 16 -7.889 -2.649 -5.727
89 H TYR 17 H TYR 17 -5.098 -0.771 -5.354
90 HA TYR 17 HA TYR 17 -4.749 -1.700 -2.522
91 1HB TYR 17 1HB TYR 17 -3.131 -1.994 -5.021
92 2HB TYR 17 2HB TYR 17 -2.246 -1.765 -3.512
93 HD1 TYR 17 HD1 TYR 17 -2.468 -3.379 -1.660
94 HD2 TYR 17 HD2 TYR 17 -4.418 -4.004 -5.434
95 HE1 TYR 17 HE1 TYR 17 -2.865 -5.748 -1.060
96 HE2 TYR 17 HE2 TYR 17 -4.818 -6.375 -4.836
97 HH TYR 17 HH TYR 17 -4.795 -7.561 -1.918
98 H VAL 18 H VAL 18 -3.905 -0.152 -1.122
99 HA VAL 18 HA VAL 18 -3.113 2.487 -2.325
100 HB VAL 18 HB VAL 18 -4.278 1.983 0.425
101 1HG1 VAL 18 1HG1 VAL 18 -3.803 4.387 -1.323
102 2HG1 VAL 18 2HG1 VAL 18 -5.041 4.423 -0.068
103 3HG1 VAL 18 3HG1 VAL 18 -3.355 4.140 0.365
104 1HG2 VAL 18 1HG2 VAL 18 -5.667 2.425 -2.226
105 2HG2 VAL 18 2HG2 VAL 18 -5.986 1.175 -1.023
106 3HG2 VAL 18 3HG2 VAL 18 -6.435 2.848 -0.695
107 H CYS 19 H CYS 19 -1.516 3.711 -0.995
108 HA CYS 19 HA CYS 19 0.690 2.006 -0.122
109 1HB CYS 19 1HB CYS 19 0.758 4.255 -1.362
110 2HB CYS 19 2HB CYS 19 0.398 5.004 0.194
111 H SER 20 H SER 20 0.726 1.118 1.895
112 HA SER 20 HA SER 20 -0.975 2.007 4.065
113 1HB SER 20 1HB SER 20 0.157 -0.304 3.439
114 2HB SER 20 2HB SER 20 1.474 0.308 4.433
115 HG SER 20 HG SER 20 0.235 0.181 6.164
116 H ARG 21 H ARG 21 -0.520 3.472 5.668
117 HA ARG 21 HA ARG 21 1.981 5.016 5.538
118 1HB ARG 21 1HB ARG 21 -0.546 5.080 7.209
119 2HB ARG 21 2HB ARG 21 0.790 6.198 7.485
120 1HG ARG 21 1HG ARG 21 0.114 7.489 5.772
121 2HG ARG 21 2HG ARG 21 0.205 6.115 4.669
122 1HD ARG 21 1HD ARG 21 -2.115 5.670 6.219
123 2HD ARG 21 2HD ARG 21 -2.154 7.385 5.769
124 HE ARG 21 HE ARG 21 -1.374 6.143 3.430
125 1HH1 ARG 21 1HH1 ARG 21 -2.603 3.762 3.366
126 2HH1 ARG 21 2HH1 ARG 21 -4.307 4.025 3.201
127 1HH2 ARG 21 1HH2 ARG 21 -4.159 7.346 4.216
128 2HH2 ARG 21 2HH2 ARG 21 -5.192 6.061 3.684
129 H THR 22 H THR 22 0.842 2.239 7.245
130 HA THR 22 HA THR 22 2.699 2.610 9.532
131 HB THR 22 HB THR 22 0.818 0.329 8.849
132 HG1 THR 22 HG1 THR 22 -0.633 1.826 9.114
133 1HG2 THR 22 1HG2 THR 22 2.623 0.079 10.654
134 2HG2 THR 22 2HG2 THR 22 1.721 1.291 11.564
135 3HG2 THR 22 3HG2 THR 22 0.961 -0.244 11.148
136 H TRP 23 H TRP 23 2.123 0.279 6.861
137 HA TRP 23 HA TRP 23 4.782 -0.968 7.402
138 1HB TRP 23 1HB TRP 23 2.816 -1.902 5.332
139 2HB TRP 23 2HB TRP 23 3.935 -2.846 6.305
140 HD1 TRP 23 HD1 TRP 23 0.452 -2.488 5.962
141 HE1 TRP 23 HE1 TRP 23 -0.831 -2.917 8.159
142 HE3 TRP 23 HE3 TRP 23 4.287 -2.114 9.319
143 HZ2 TRP 23 HZ2 TRP 23 -0.301 -3.088 10.965
144 HZ3 TRP 23 HZ3 TRP 23 3.871 -2.419 11.742
145 HH2 TRP 23 HH2 TRP 23 1.585 -2.905 12.569
146 H LYS 24 H LYS 24 3.302 1.281 5.261
147 HA LYS 24 HA LYS 24 4.143 2.440 3.401
148 1HB LYS 24 1HB LYS 24 6.422 1.333 4.824
149 2HB LYS 24 2HB LYS 24 6.749 1.449 3.095
150 1HG LYS 24 1HG LYS 24 5.633 3.714 4.773
151 2HG LYS 24 2HG LYS 24 7.338 3.534 4.361
152 1HD LYS 24 1HD LYS 24 6.484 3.403 1.898
153 2HD LYS 24 2HD LYS 24 5.012 4.132 2.542
154 1HE LYS 24 1HE LYS 24 6.255 6.050 3.379
155 2HE LYS 24 2HE LYS 24 7.795 5.294 2.927
156 1HZ LYS 24 1HZ LYS 24 6.984 5.190 0.620
157 2HZ LYS 24 2HZ LYS 24 5.586 6.040 1.081
158 3HZ LYS 24 3HZ LYS 24 7.105 6.788 1.184
159 H TRP 25 H TRP 25 3.204 -0.614 3.288
160 HA TRP 25 HA TRP 25 4.195 -1.042 0.490
161 1HB TRP 25 1HB TRP 25 4.543 -3.249 0.993
162 2HB TRP 25 2HB TRP 25 4.623 -2.650 2.642
163 HD1 TRP 25 HD1 TRP 25 1.723 -3.716 0.279
164 HE1 TRP 25 HE1 TRP 25 0.106 -5.193 1.626
165 HE3 TRP 25 HE3 TRP 25 4.099 -3.763 4.786
166 HZ2 TRP 25 HZ2 TRP 25 -0.147 -6.278 4.241
167 HZ3 TRP 25 HZ3 TRP 25 3.143 -5.028 6.686
168 HH2 TRP 25 HH2 TRP 25 1.030 -6.290 6.423
169 H CYS 26 H CYS 26 2.590 -1.952 -1.005
170 HA CYS 26 HA CYS 26 0.053 -0.643 -0.918
171 1HB CYS 26 1HB CYS 26 1.036 -3.045 -2.478
172 2HB CYS 26 2HB CYS 26 -0.405 -2.109 -2.875
173 H VAL 27 H VAL 27 -1.253 -1.148 0.844
174 HA VAL 27 HA VAL 27 -1.848 -4.015 1.414
175 HB VAL 27 HB VAL 27 -2.917 -2.965 3.477
176 1HG1 VAL 27 1HG1 VAL 27 0.000 -2.792 2.810
177 2HG1 VAL 27 2HG1 VAL 27 -0.570 -2.215 4.376
178 3HG1 VAL 27 3HG1 VAL 27 -0.829 -3.895 3.908
179 1HG2 VAL 27 1HG2 VAL 27 -3.137 -0.679 2.375
180 2HG2 VAL 27 2HG2 VAL 27 -2.469 -0.674 4.008
181 3HG2 VAL 27 3HG2 VAL 27 -1.401 -0.494 2.618
182 H LEU 28 H LEU 28 -4.084 -4.690 1.547
183 HA LEU 28 HA LEU 28 -5.806 -3.609 -0.497
184 1HB LEU 28 1HB LEU 28 -5.626 -5.984 0.479
185 2HB LEU 28 2HB LEU 28 -6.606 -5.386 1.819
186 HG LEU 28 HG LEU 28 -8.052 -4.470 -0.302
187 1HD1 LEU 28 1HD1 LEU 28 -6.247 -6.008 -1.603
188 2HD1 LEU 28 2HD1 LEU 28 -7.465 -7.229 -1.238
189 3HD1 LEU 28 3HD1 LEU 28 -7.904 -5.795 -2.165
190 1HD2 LEU 28 1HD2 LEU 28 -8.646 -5.941 1.761
191 2HD2 LEU 28 2HD2 LEU 28 -9.640 -6.104 0.313
192 3HD2 LEU 28 3HD2 LEU 28 -8.399 -7.305 0.670
193 H ALA 29 H ALA 29 -7.512 -2.172 -0.334
194 HA ALA 29 HA ALA 29 -7.681 -0.305 1.822
195 1HB ALA 29 2HB ALA 29 -10.110 -0.170 0.549
196 2HB ALA 29 3HB ALA 29 -8.632 0.572 -0.062
197 3HB ALA 29 1HB ALA 29 -9.135 -1.012 -0.655
198 H GLY 30 H GLY 30 -8.516 -0.632 3.844
199 1HA GLY 30 1HA GLY 30 -10.865 -2.456 4.151
200 2HA GLY 30 2HA GLY 30 -9.485 -2.605 5.240
201 HA PRO 31 HA PRO 31 -9.934 -2.981 6.965
202 1HB PRO 31 1HB PRO 31 -11.549 -3.264 9.148
203 2HB PRO 31 2HB PRO 31 -10.036 -2.338 9.182
204 1HG PRO 31 2HG PRO 31 -11.420 -0.655 9.841
205 2HG PRO 31 1HG PRO 31 -12.835 -1.383 9.070
206 1HD PRO 31 1HD PRO 31 -12.518 0.139 7.421
207 2HD PRO 31 2HD PRO 31 -10.878 0.520 7.983
208 H TRP 32 H TRP 32 -11.659 -4.873 7.976
209 HA TRP 32 HA TRP 32 -13.069 -5.905 5.776
210 1HB TRP 32 1HB TRP 32 -13.355 -6.220 8.770
211 2HB TRP 32 2HB TRP 32 -14.320 -7.177 7.648
212 HD1 TRP 32 HD1 TRP 32 -12.862 -8.638 5.800
213 HE1 TRP 32 HE1 TRP 32 -10.623 -9.872 6.132
214 HE3 TRP 32 HE3 TRP 32 -11.171 -6.278 10.000
215 HZ2 TRP 32 HZ2 TRP 32 -8.407 -9.860 7.944
216 HZ3 TRP 32 HZ3 TRP 32 -8.998 -6.907 11.007
217 HH2 TRP 32 HH2 TRP 32 -7.614 -8.693 9.986
No H/Q in entry = 217
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 4.734 -2.587 11.656
2 H2 GLY 1 H2 GLY 1 4.352 -4.109 12.307
3 H3 GLY 1 H3 GLY 1 5.770 -3.909 11.400
4 1HA GLY 1 1HA GLY 1 4.735 -4.186 9.463
5 2HA GLY 1 2HA GLY 1 3.411 -4.829 10.434
6 H CYS 2 H CYS 2 3.653 -3.000 7.918
7 HA CYS 2 HA CYS 2 1.939 -0.744 8.894
8 1HB CYS 2 1HB CYS 2 3.495 -1.117 6.315
9 2HB CYS 2 2HB CYS 2 2.673 0.357 6.822
10 H LEU 3 H LEU 3 1.425 -3.770 7.730
11 HA LEU 3 HA LEU 3 -0.300 -3.332 5.457
12 1HB LEU 3 1HB LEU 3 0.898 -5.464 6.403
13 2HB LEU 3 2HB LEU 3 -0.551 -5.624 7.395
14 HG LEU 3 HG LEU 3 -1.644 -5.127 4.931
15 1HD1 LEU 3 1HD1 LEU 3 0.925 -6.687 4.552
16 2HD1 LEU 3 2HD1 LEU 3 -0.411 -6.739 3.402
17 3HD1 LEU 3 3HD1 LEU 3 0.426 -5.219 3.713
18 1HD2 LEU 3 1HD2 LEU 3 -2.064 -6.971 6.685
19 2HD2 LEU 3 2HD2 LEU 3 -2.345 -7.394 4.996
20 3HD2 LEU 3 3HD2 LEU 3 -0.863 -7.913 5.800
21 H GLY 4 H GLY 4 -2.417 -2.673 5.425
22 1HA GLY 4 1HA GLY 4 -4.688 -2.818 6.425
23 2HA GLY 4 2HA GLY 4 -3.927 -2.670 8.009
24 H ASP 5 H ASP 5 -2.038 -0.567 6.849
25 HA ASP 5 HA ASP 5 -3.469 1.775 7.642
26 1HB ASP 5 1HB ASP 5 -0.986 1.311 5.959
27 2HB ASP 5 2HB ASP 5 -1.484 2.905 6.518
28 H LYS 6 H LYS 6 -5.133 2.726 6.537
29 HA LYS 6 HA LYS 6 -5.773 2.109 3.785
30 1HB LYS 6 1HB LYS 6 -6.710 4.097 5.859
31 2HB LYS 6 2HB LYS 6 -7.386 4.097 4.230
32 1HG LYS 6 1HG LYS 6 -8.296 1.940 4.471
33 2HG LYS 6 2HG LYS 6 -7.239 1.546 5.827
34 1HD LYS 6 1HD LYS 6 -8.771 3.869 6.519
35 2HD LYS 6 2HD LYS 6 -9.874 2.630 5.921
36 1HE LYS 6 1HE LYS 6 -7.720 1.903 7.909
37 2HE LYS 6 2HE LYS 6 -9.265 2.584 8.457
38 1HZ LYS 6 1HZ LYS 6 -10.409 0.900 7.105
39 2HZ LYS 6 2HZ LYS 6 -8.910 0.206 6.704
40 3HZ LYS 6 3HZ LYS 6 -9.451 0.194 8.314
41 H CYS 7 H CYS 7 -5.319 3.262 1.920
42 HA CYS 7 HA CYS 7 -3.630 5.732 2.195
43 1HB CYS 7 1HB CYS 7 -3.568 3.395 0.267
44 2HB CYS 7 2HB CYS 7 -2.677 4.889 -0.023
45 H ASP 8 H ASP 8 -3.699 6.953 -0.064
46 HA ASP 8 HA ASP 8 -6.510 6.948 -1.117
47 1HB ASP 8 1HB ASP 8 -5.666 8.765 0.635
48 2HB ASP 8 2HB ASP 8 -4.941 9.487 -0.802
49 H TYR 9 H TYR 9 -3.305 8.462 -1.729
50 HA TYR 9 HA TYR 9 -3.384 7.459 -4.528
51 1HB TYR 9 1HB TYR 9 -4.556 9.599 -4.581
52 2HB TYR 9 2HB TYR 9 -3.261 10.369 -3.665
53 HD1 TYR 9 HD1 TYR 9 -3.200 8.004 -6.581
54 HD2 TYR 9 HD2 TYR 9 -2.163 11.889 -5.069
55 HE1 TYR 9 HE1 TYR 9 -1.997 8.503 -8.689
56 HE2 TYR 9 HE2 TYR 9 -0.960 12.388 -7.179
57 HH TYR 9 HH TYR 9 0.207 10.622 -9.089
58 H ASN 10 H ASN 10 -1.552 9.805 -2.518
59 HA ASN 10 HA ASN 10 0.936 8.234 -3.096
60 1HB ASN 10 2HB ASN 10 0.711 10.266 -4.511
61 2HB ASN 10 1HB ASN 10 2.076 10.396 -3.404
62 2HD2 ASN 10 1HD2 ASN 10 2.105 12.220 -2.049
63 1HD2 ASN 10 2HD2 ASN 10 0.790 13.267 -1.819
64 H ASN 11 H ASN 11 -0.738 8.063 -0.726
65 HA ASN 11 HA ASN 11 0.022 9.657 1.477
66 1HB ASN 11 1HB ASN 11 -1.631 7.595 1.084
67 2HB ASN 11 2HB ASN 11 -0.284 6.690 1.777
68 2HD2 ASN 11 1HD2 ASN 11 0.118 6.913 4.038
69 1HD2 ASN 11 2HD2 ASN 11 -0.831 7.883 5.058
70 H GLY 12 H GLY 12 1.537 6.589 0.375
71 1HA GLY 12 1HA GLY 12 3.833 6.011 0.429
72 2HA GLY 12 2HA GLY 12 4.174 7.558 1.203
73 H CYS 13 H CYS 13 3.378 4.207 1.745
74 HA CYS 13 HA CYS 13 3.031 4.483 4.648
75 1HB CYS 13 1HB CYS 13 2.581 2.559 2.595
76 2HB CYS 13 2HB CYS 13 3.679 1.817 3.759
77 H CYS 14 H CYS 14 4.575 2.680 5.872
78 HA CYS 14 HA CYS 14 7.174 3.847 6.050
79 1HB CYS 14 2HB CYS 14 5.961 2.495 7.784
80 2HB CYS 14 1HB CYS 14 7.620 1.957 7.530
81 H SER 15 H SER 15 9.254 2.887 5.443
82 HA SER 15 HA SER 15 9.503 2.093 2.740
83 1HB SER 15 1HB SER 15 11.213 1.963 5.208
84 2HB SER 15 2HB SER 15 11.797 1.220 3.721
85 HG SER 15 HG SER 15 12.301 3.534 4.114
86 H GLY 16 H GLY 16 9.036 0.173 1.754
87 1HA GLY 16 1HA GLY 16 9.453 -2.281 1.687
88 2HA GLY 16 2HA GLY 16 9.081 -2.322 3.409
89 H TYR 17 H TYR 17 6.819 -0.288 2.780
90 HA TYR 17 HA TYR 17 4.845 -2.341 1.842
91 1HB TYR 17 1HB TYR 17 4.952 -0.285 3.984
92 2HB TYR 17 2HB TYR 17 3.392 -0.491 3.188
93 HD1 TYR 17 HD1 TYR 17 6.070 -2.253 5.065
94 HD2 TYR 17 HD2 TYR 17 2.071 -2.460 3.511
95 HE1 TYR 17 HE1 TYR 17 5.667 -4.316 6.377
96 HE2 TYR 17 HE2 TYR 17 1.672 -4.521 4.824
97 HH TYR 17 HH TYR 17 3.196 -5.427 7.322
98 H VAL 18 H VAL 18 3.145 -1.616 0.437
99 HA VAL 18 HA VAL 18 3.569 1.070 -0.830
100 HB VAL 18 HB VAL 18 3.063 -0.091 -3.006
101 1HG1 VAL 18 1HG1 VAL 18 5.407 0.326 -2.065
102 2HG1 VAL 18 2HG1 VAL 18 5.415 -1.379 -1.612
103 3HG1 VAL 18 3HG1 VAL 18 5.275 -0.918 -3.308
104 1HG2 VAL 18 1HG2 VAL 18 1.880 -2.047 -1.983
105 2HG2 VAL 18 2HG2 VAL 18 3.156 -2.531 -3.099
106 3HG2 VAL 18 3HG2 VAL 18 3.428 -2.617 -1.359
107 H CYS 19 H CYS 19 1.678 2.199 -1.239
108 HA CYS 19 HA CYS 19 -0.814 1.257 -0.058
109 1HB CYS 19 1HB CYS 19 0.066 3.661 -1.676
110 2HB CYS 19 2HB CYS 19 -1.596 3.471 -1.121
111 H SER 20 H SER 20 -2.186 -0.131 -1.101
112 HA SER 20 HA SER 20 -1.952 -0.637 -3.979
113 1HB SER 20 1HB SER 20 -3.668 -2.337 -3.471
114 2HB SER 20 2HB SER 20 -2.368 -2.395 -2.288
115 HG SER 20 HG SER 20 -4.044 -2.272 -0.979
116 H ARG 21 H ARG 21 -3.220 0.248 -5.564
117 HA ARG 21 HA ARG 21 -5.169 2.333 -4.880
118 1HB ARG 21 2HB ARG 21 -3.568 2.475 -6.780
119 2HB ARG 21 1HB ARG 21 -5.237 2.620 -7.324
120 1HG ARG 21 1HG ARG 21 -3.407 0.219 -7.543
121 2HG ARG 21 2HG ARG 21 -5.153 0.089 -7.757
122 1HD ARG 21 2HD ARG 21 -4.822 2.077 -9.454
123 2HD ARG 21 1HD ARG 21 -4.380 0.437 -9.965
124 HE ARG 21 HE ARG 21 -2.025 1.005 -9.390
125 1HH1 ARG 21 1HH1 ARG 21 -1.687 3.119 -7.697
126 2HH1 ARG 21 2HH1 ARG 21 -1.673 4.561 -8.655
127 1HH2 ARG 21 1HH2 ARG 21 -3.156 3.057 -11.416
128 2HH2 ARG 21 2HH2 ARG 21 -2.507 4.526 -10.768
129 H THR 22 H THR 22 -5.301 -1.071 -5.385
130 HA THR 22 HA THR 22 -8.107 -1.089 -6.325
131 HB THR 22 HB THR 22 -6.203 -3.323 -5.535
132 HG1 THR 22 HG1 THR 22 -6.797 -2.204 -8.075
133 1HG2 THR 22 1HG2 THR 22 -8.783 -3.689 -5.715
134 2HG2 THR 22 2HG2 THR 22 -8.507 -3.545 -7.451
135 3HG2 THR 22 3HG2 THR 22 -7.701 -4.816 -6.532
136 H TRP 23 H TRP 23 -6.254 -2.256 -3.470
137 HA TRP 23 HA TRP 23 -8.785 -2.701 -1.984
138 1HB TRP 23 2HB TRP 23 -7.402 -3.867 -0.439
139 2HB TRP 23 1HB TRP 23 -5.945 -3.064 -1.008
140 HD1 TRP 23 HD1 TRP 23 -4.562 -4.988 -1.969
141 HE1 TRP 23 HE1 TRP 23 -4.946 -6.774 -3.791
142 HE3 TRP 23 HE3 TRP 23 -9.532 -4.252 -2.897
143 HZ2 TRP 23 HZ2 TRP 23 -7.082 -7.763 -5.421
144 HZ3 TRP 23 HZ3 TRP 23 -10.715 -5.630 -4.582
145 HH2 TRP 23 HH2 TRP 23 -9.499 -7.383 -5.844
146 H LYS 24 H LYS 24 -6.376 -0.250 -2.327
147 HA LYS 24 HA LYS 24 -6.135 1.846 -1.310
148 1HB LYS 24 2HB LYS 24 -8.099 2.713 -0.173
149 2HB LYS 24 1HB LYS 24 -8.720 1.084 0.085
150 1HG LYS 24 1HG LYS 24 -8.087 1.912 -2.721
151 2HG LYS 24 2HG LYS 24 -9.348 0.831 -2.131
152 1HD LYS 24 1HD LYS 24 -9.684 3.556 -1.136
153 2HD LYS 24 2HD LYS 24 -9.699 3.483 -2.898
154 1HE LYS 24 1HE LYS 24 -11.301 1.456 -1.354
155 2HE LYS 24 2HE LYS 24 -11.951 3.092 -1.573
156 1HZ LYS 24 1HZ LYS 24 -10.858 1.431 -3.784
157 2HZ LYS 24 2HZ LYS 24 -12.510 1.541 -3.418
158 3HZ LYS 24 3HZ LYS 24 -11.661 2.923 -3.924
159 H TRP 25 H TRP 25 -4.986 -0.608 -0.027
160 HA TRP 25 HA TRP 25 -4.547 0.609 2.650
161 1HB TRP 25 1HB TRP 25 -5.285 -1.229 3.818
162 2HB TRP 25 2HB TRP 25 -6.283 -1.440 2.390
163 HD1 TRP 25 HD1 TRP 25 -2.633 -2.465 3.249
164 HE1 TRP 25 HE1 TRP 25 -2.327 -4.930 2.587
165 HE3 TRP 25 HE3 TRP 25 -7.328 -3.511 1.565
166 HZ2 TRP 25 HZ2 TRP 25 -3.873 -7.078 1.514
167 HZ3 TRP 25 HZ3 TRP 25 -7.886 -5.779 0.740
168 HH2 TRP 25 HH2 TRP 25 -6.170 -7.562 0.714
169 H CYS 26 H CYS 26 -2.461 0.011 3.576
170 HA CYS 26 HA CYS 26 -0.342 -0.183 1.621
171 1HB CYS 26 1HB CYS 26 -0.526 -0.296 4.633
172 2HB CYS 26 2HB CYS 26 1.020 -0.405 3.793
173 H VAL 27 H VAL 27 0.077 -2.088 0.564
174 HA VAL 27 HA VAL 27 -0.124 -4.652 2.105
175 HB VAL 27 HB VAL 27 0.159 -4.533 -0.877
176 1HG1 VAL 27 1HG1 VAL 27 -0.777 -6.372 1.195
177 2HG1 VAL 27 2HG1 VAL 27 -1.916 -6.230 -0.144
178 3HG1 VAL 27 3HG1 VAL 27 -0.249 -6.713 -0.452
179 1HG2 VAL 27 1HG2 VAL 27 -2.180 -3.495 0.693
180 2HG2 VAL 27 2HG2 VAL 27 -1.516 -2.914 -0.833
181 3HG2 VAL 27 3HG2 VAL 27 -2.489 -4.385 -0.797
182 H LEU 28 H LEU 28 1.578 -6.314 1.423
183 HA LEU 28 HA LEU 28 4.238 -5.209 1.729
184 1HB LEU 28 1HB LEU 28 3.336 -7.449 2.519
185 2HB LEU 28 2HB LEU 28 3.404 -7.989 0.841
186 HG LEU 28 HG LEU 28 5.911 -6.910 1.184
187 1HD1 LEU 28 1HD1 LEU 28 5.214 -6.747 3.680
188 2HD1 LEU 28 2HD1 LEU 28 5.401 -8.501 3.695
189 3HD1 LEU 28 3HD1 LEU 28 6.778 -7.470 3.304
190 1HD2 LEU 28 1HD2 LEU 28 4.944 -9.750 1.640
191 2HD2 LEU 28 2HD2 LEU 28 5.456 -9.042 0.108
192 3HD2 LEU 28 3HD2 LEU 28 6.634 -9.310 1.393
193 H ALA 29 H ALA 29 5.831 -4.891 0.157
194 HA ALA 29 HA ALA 29 5.055 -4.433 -2.575
195 1HB ALA 29 1HB ALA 29 7.662 -4.643 -1.061
196 2HB ALA 29 2HB ALA 29 7.637 -4.323 -2.795
197 3HB ALA 29 3HB ALA 29 6.869 -3.194 -1.679
198 H GLY 30 H GLY 30 4.976 -5.852 -4.276
199 1HA GLY 30 1HA GLY 30 6.653 -7.894 -5.009
200 2HA GLY 30 2HA GLY 30 5.599 -8.680 -3.833
201 HA PRO 31 HA PRO 31 5.576 -10.422 -4.800
202 1HB PRO 31 1HB PRO 31 5.673 -12.195 -6.877
203 2HB PRO 31 2HB PRO 31 4.281 -12.062 -5.786
204 1HG PRO 31 2HG PRO 31 3.182 -11.660 -7.746
205 2HG PRO 31 1HG PRO 31 4.629 -11.026 -8.543
206 1HD PRO 31 1HD PRO 31 3.710 -8.983 -8.137
207 2HD PRO 31 2HD PRO 31 2.613 -9.627 -6.897
208 H TRP 32 H TRP 32 7.807 -11.086 -5.056
209 HA TRP 32 HA TRP 32 9.355 -9.368 -6.924
210 1HB TRP 32 1HB TRP 32 9.601 -10.141 -4.261
211 2HB TRP 32 2HB TRP 32 10.812 -11.126 -5.080
212 HD1 TRP 32 HD1 TRP 32 11.893 -9.265 -7.256
213 HE1 TRP 32 HE1 TRP 32 13.173 -7.104 -6.678
214 HE3 TRP 32 HE3 TRP 32 10.217 -8.496 -2.493
215 HZ2 TRP 32 HZ2 TRP 32 13.449 -5.289 -4.484
216 HZ3 TRP 32 HZ3 TRP 32 11.006 -6.546 -1.183
217 HH2 TRP 32 HH2 TRP 32 12.618 -4.943 -2.172
No H/Q in entry = 217
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 9.526 5.860 3.909
2 H2 GLY 1 H2 GLY 1 9.962 4.293 3.416
3 H3 GLY 1 H3 GLY 1 10.545 5.641 2.568
4 1HA GLY 1 1HA GLY 1 8.381 6.181 1.757
5 2HA GLY 1 2HA GLY 1 8.712 4.484 1.408
6 H CYS 2 H CYS 2 6.170 4.743 1.364
7 HA CYS 2 HA CYS 2 5.012 4.463 4.101
8 1HB CYS 2 1HB CYS 2 3.847 4.855 1.328
9 2HB CYS 2 2HB CYS 2 2.866 4.675 2.782
10 H LEU 3 H LEU 3 6.635 2.298 2.711
11 HA LEU 3 HA LEU 3 4.704 0.234 1.933
12 1HB LEU 3 1HB LEU 3 7.128 0.628 1.130
13 2HB LEU 3 2HB LEU 3 7.623 -0.113 2.653
14 HG LEU 3 HG LEU 3 5.561 -1.560 1.061
15 1HD1 LEU 3 1HD1 LEU 3 8.498 -1.498 0.304
16 2HD1 LEU 3 2HD1 LEU 3 7.290 -2.595 -0.365
17 3HD1 LEU 3 3HD1 LEU 3 7.173 -0.862 -0.670
18 1HD2 LEU 3 1HD2 LEU 3 7.958 -2.266 2.770
19 2HD2 LEU 3 2HD2 LEU 3 6.255 -2.559 3.120
20 3HD2 LEU 3 3HD2 LEU 3 7.065 -3.478 1.851
21 H GLY 4 H GLY 4 3.479 -0.718 3.513
22 1HA GLY 4 1HA GLY 4 3.935 -2.462 5.402
23 2HA GLY 4 2HA GLY 4 4.668 -1.086 6.226
24 H ASP 5 H ASP 5 2.669 0.825 5.146
25 HA ASP 5 HA ASP 5 0.760 0.838 7.239
26 1HB ASP 5 1HB ASP 5 0.899 2.036 4.464
27 2HB ASP 5 2HB ASP 5 -0.461 2.374 5.535
28 H LYS 6 H LYS 6 -0.989 -0.482 7.580
29 HA LYS 6 HA LYS 6 -1.797 -2.530 5.723
30 1HB LYS 6 1HB LYS 6 -2.885 -1.352 8.280
31 2HB LYS 6 2HB LYS 6 -3.772 -2.609 7.419
32 1HG LYS 6 2HG LYS 6 -1.159 -3.574 7.478
33 2HG LYS 6 1HG LYS 6 -2.484 -4.100 8.516
34 1HD LYS 6 1HD LYS 6 -1.326 -1.607 9.471
35 2HD LYS 6 2HD LYS 6 -1.544 -3.134 10.327
36 1HE LYS 6 1HE LYS 6 0.648 -3.660 10.078
37 2HE LYS 6 2HE LYS 6 0.583 -3.333 8.335
38 1HZ LYS 6 1HZ LYS 6 0.706 -1.241 10.445
39 2HZ LYS 6 2HZ LYS 6 2.037 -1.765 9.534
40 3HZ LYS 6 3HZ LYS 6 0.738 -0.985 8.765
41 H CYS 7 H CYS 7 -3.712 -2.668 4.456
42 HA CYS 7 HA CYS 7 -4.641 -0.232 3.218
43 1HB CYS 7 1HB CYS 7 -5.590 -3.114 3.238
44 2HB CYS 7 2HB CYS 7 -6.305 -1.878 2.203
45 H ASP 8 H ASP 8 -6.866 0.618 3.324
46 HA ASP 8 HA ASP 8 -8.153 0.104 5.986
47 1HB ASP 8 1HB ASP 8 -7.810 2.548 4.239
48 2HB ASP 8 2HB ASP 8 -9.006 2.507 5.536
49 H TYR 9 H TYR 9 -9.349 1.721 3.018
50 HA TYR 9 HA TYR 9 -11.462 -0.383 2.764
51 1HB TYR 9 1HB TYR 9 -11.803 2.612 3.099
52 2HB TYR 9 2HB TYR 9 -13.094 1.567 2.508
53 HD1 TYR 9 HD1 TYR 9 -13.999 -0.256 3.966
54 HD2 TYR 9 HD2 TYR 9 -11.178 2.641 5.419
55 HE1 TYR 9 HE1 TYR 9 -14.562 -0.875 6.300
56 HE2 TYR 9 HE2 TYR 9 -11.741 2.020 7.752
57 HH TYR 9 HH TYR 9 -14.148 0.815 8.803
58 H ASN 10 H ASN 10 -10.504 2.762 1.314
59 HA ASN 10 HA ASN 10 -10.980 1.642 -1.403
60 1HB ASN 10 1HB ASN 10 -11.224 4.170 -0.060
61 2HB ASN 10 2HB ASN 10 -10.104 4.362 -1.408
62 2HD2 ASN 10 1HD2 ASN 10 -10.973 4.308 -3.542
63 1HD2 ASN 10 2HD2 ASN 10 -12.623 4.078 -3.869
64 H ASN 11 H ASN 11 -8.385 2.898 0.662
65 HA ASN 11 HA ASN 11 -6.341 1.580 -0.957
66 1HB ASN 11 1HB ASN 11 -7.200 4.169 -1.671
67 2HB ASN 11 2HB ASN 11 -5.666 4.407 -0.835
68 2HD2 ASN 11 1HD2 ASN 11 -7.098 3.376 -3.809
69 1HD2 ASN 11 2HD2 ASN 11 -5.675 2.821 -4.550
70 H GLY 12 H GLY 12 -6.389 4.507 1.127
71 1HA GLY 12 1HA GLY 12 -5.401 4.903 3.219
72 2HA GLY 12 2HA GLY 12 -5.450 3.161 3.485
73 H CYS 13 H CYS 13 -3.788 4.770 0.802
74 HA CYS 13 HA CYS 13 -1.154 3.986 2.008
75 1HB CYS 13 1HB CYS 13 -2.293 3.509 -0.761
76 2HB CYS 13 2HB CYS 13 -0.574 3.354 -0.405
77 H CYS 14 H CYS 14 0.680 5.104 0.708
78 HA CYS 14 HA CYS 14 0.118 7.977 0.592
79 1HB CYS 14 1HB CYS 14 2.494 6.151 0.309
80 2HB CYS 14 2HB CYS 14 2.642 7.846 -0.152
81 H SER 15 H SER 15 1.189 9.168 -1.409
82 HA SER 15 HA SER 15 -0.321 8.493 -3.770
83 1HB SER 15 1HB SER 15 2.055 10.327 -3.306
84 2HB SER 15 2HB SER 15 1.033 10.357 -4.742
85 HG SER 15 HG SER 15 0.602 11.386 -2.257
86 H GLY 16 H GLY 16 0.160 6.797 -5.105
87 1HA GLY 16 1HA GLY 16 1.640 5.833 -6.789
88 2HA GLY 16 2HA GLY 16 3.018 6.314 -5.803
89 H TYR 17 H TYR 17 1.215 5.220 -3.424
90 HA TYR 17 HA TYR 17 2.376 2.499 -3.559
91 1HB TYR 17 1HB TYR 17 1.379 4.408 -1.508
92 2HB TYR 17 2HB TYR 17 1.191 2.695 -1.127
93 HD1 TYR 17 HD1 TYR 17 3.647 5.329 -2.030
94 HD2 TYR 17 HD2 TYR 17 3.084 1.301 -0.647
95 HE1 TYR 17 HE1 TYR 17 6.059 5.181 -1.477
96 HE2 TYR 17 HE2 TYR 17 5.495 1.154 -0.094
97 HH TYR 17 HH TYR 17 7.361 2.964 0.505
98 H VAL 18 H VAL 18 1.161 0.715 -4.015
99 HA VAL 18 HA VAL 18 -1.782 1.022 -4.362
100 HB VAL 18 HB VAL 18 0.068 -1.276 -5.091
101 1HG1 VAL 18 1HG1 VAL 18 -2.731 -0.456 -5.844
102 2HG1 VAL 18 2HG1 VAL 18 -1.766 -1.458 -6.929
103 3HG1 VAL 18 3HG1 VAL 18 -2.148 -2.031 -5.305
104 1HG2 VAL 18 1HG2 VAL 18 -0.465 1.357 -6.429
105 2HG2 VAL 18 2HG2 VAL 18 1.039 0.443 -6.324
106 3HG2 VAL 18 3HG2 VAL 18 -0.230 -0.071 -7.437
107 H CYS 19 H CYS 19 -3.115 -0.953 -3.642
108 HA CYS 19 HA CYS 19 -2.192 -1.830 -0.931
109 1HB CYS 19 1HB CYS 19 -4.612 -0.731 -2.039
110 2HB CYS 19 2HB CYS 19 -4.962 -2.324 -1.364
111 H SER 20 H SER 20 -1.489 -3.912 -0.867
112 HA SER 20 HA SER 20 -2.297 -5.846 -2.964
113 1HB SER 20 1HB SER 20 -0.236 -5.655 -0.783
114 2HB SER 20 2HB SER 20 -0.579 -7.218 -1.520
115 HG SER 20 HG SER 20 0.600 -6.581 -3.129
116 H ARG 21 H ARG 21 -3.320 -7.876 -2.444
117 HA ARG 21 HA ARG 21 -5.087 -7.756 -0.072
118 1HB ARG 21 1HB ARG 21 -5.264 -8.635 -2.722
119 2HB ARG 21 2HB ARG 21 -5.271 -10.119 -1.767
120 1HG ARG 21 1HG ARG 21 -7.052 -9.116 -0.320
121 2HG ARG 21 2HG ARG 21 -7.103 -7.731 -1.410
122 1HD ARG 21 1HD ARG 21 -8.395 -8.858 -2.893
123 2HD ARG 21 2HD ARG 21 -7.299 -10.253 -2.877
124 HE ARG 21 HE ARG 21 -8.816 -11.263 -1.384
125 1HH1 ARG 21 1HH1 ARG 21 -10.365 -8.474 -1.969
126 2HH1 ARG 21 2HH1 ARG 21 -10.944 -8.185 -0.362
127 1HH2 ARG 21 1HH2 ARG 21 -8.935 -10.622 1.087
128 2HH2 ARG 21 2HH2 ARG 21 -10.133 -9.403 1.371
129 H THR 22 H THR 22 -2.151 -9.401 -1.029
130 HA THR 22 HA THR 22 -2.342 -11.821 0.437
131 HB THR 22 HB THR 22 0.069 -10.025 -0.012
132 HG1 THR 22 HG1 THR 22 -1.215 -11.984 -1.605
133 1HG2 THR 22 1HG2 THR 22 0.435 -11.875 1.602
134 2HG2 THR 22 2HG2 THR 22 -0.132 -13.022 0.389
135 3HG2 THR 22 3HG2 THR 22 1.351 -12.108 0.113
136 H TRP 23 H TRP 23 -0.370 -9.061 1.622
137 HA TRP 23 HA TRP 23 -1.049 -9.851 4.412
138 1HB TRP 23 1HB TRP 23 0.934 -7.789 3.397
139 2HB TRP 23 2HB TRP 23 0.892 -8.525 4.996
140 HD1 TRP 23 HD1 TRP 23 2.743 -8.770 1.942
141 HE1 TRP 23 HE1 TRP 23 3.843 -11.081 1.652
142 HE3 TRP 23 HE3 TRP 23 0.149 -11.435 5.450
143 HZ2 TRP 23 HZ2 TRP 23 3.656 -13.711 2.762
144 HZ3 TRP 23 HZ3 TRP 23 0.632 -13.839 5.811
145 HH2 TRP 23 HH2 TRP 23 2.381 -14.979 4.473
146 H LYS 24 H LYS 24 -2.322 -7.786 2.117
147 HA LYS 24 HA LYS 24 -3.753 -5.930 2.238
148 1HB LYS 24 1HB LYS 24 -4.181 -7.614 4.442
149 2HB LYS 24 2HB LYS 24 -4.116 -5.991 5.129
150 1HG LYS 24 1HG LYS 24 -5.995 -5.287 4.008
151 2HG LYS 24 2HG LYS 24 -5.692 -6.338 2.624
152 1HD LYS 24 1HD LYS 24 -6.711 -8.164 3.606
153 2HD LYS 24 2HD LYS 24 -6.322 -7.634 5.243
154 1HE LYS 24 1HE LYS 24 -8.197 -5.922 3.654
155 2HE LYS 24 2HE LYS 24 -8.818 -7.450 4.306
156 1HZ LYS 24 1HZ LYS 24 -7.328 -5.409 5.876
157 2HZ LYS 24 2HZ LYS 24 -9.010 -5.620 5.914
158 3HZ LYS 24 3HZ LYS 24 -7.988 -6.854 6.479
159 H TRP 25 H TRP 25 -1.501 -4.807 1.867
160 HA TRP 25 HA TRP 25 -1.341 -2.595 3.800
161 1HB TRP 25 1HB TRP 25 0.807 -3.048 4.598
162 2HB TRP 25 2HB TRP 25 0.113 -4.660 4.493
163 HD1 TRP 25 HD1 TRP 25 3.077 -2.786 3.547
164 HE1 TRP 25 HE1 TRP 25 4.456 -4.038 1.771
165 HE3 TRP 25 HE3 TRP 25 -0.340 -6.287 2.063
166 HZ2 TRP 25 HZ2 TRP 25 4.159 -6.227 -0.040
167 HZ3 TRP 25 HZ3 TRP 25 0.239 -7.935 0.308
168 HH2 TRP 25 HH2 TRP 25 2.481 -7.913 -0.741
169 H CYS 26 H CYS 26 0.589 -1.069 3.000
170 HA CYS 26 HA CYS 26 -0.009 -0.479 0.184
171 1HB CYS 26 2HB CYS 26 1.265 1.582 0.721
172 2HB CYS 26 1HB CYS 26 1.724 0.878 2.272
173 H VAL 27 H VAL 27 1.379 -0.718 -1.531
174 HA VAL 27 HA VAL 27 4.154 -1.710 -0.994
175 HB VAL 27 HB VAL 27 3.684 -2.979 -3.211
176 1HG1 VAL 27 1HG1 VAL 27 3.752 -3.859 -0.769
177 2HG1 VAL 27 2HG1 VAL 27 1.995 -3.927 -0.912
178 3HG1 VAL 27 3HG1 VAL 27 3.008 -4.872 -2.005
179 1HG2 VAL 27 1HG2 VAL 27 1.493 -1.626 -3.517
180 2HG2 VAL 27 2HG2 VAL 27 1.444 -3.357 -3.849
181 3HG2 VAL 27 3HG2 VAL 27 0.814 -2.734 -2.324
182 H LEU 28 H LEU 28 5.756 -0.739 -2.266
183 HA LEU 28 HA LEU 28 5.177 1.750 -3.609
184 1HB LEU 28 1HB LEU 28 7.308 1.216 -2.491
185 2HB LEU 28 2HB LEU 28 7.599 -0.086 -3.644
186 HG LEU 28 HG LEU 28 7.347 1.783 -5.452
187 1HD1 LEU 28 1HD1 LEU 28 7.865 3.367 -2.922
188 2HD1 LEU 28 2HD1 LEU 28 8.197 3.994 -4.536
189 3HD1 LEU 28 3HD1 LEU 28 6.546 3.583 -4.074
190 1HD2 LEU 28 1HD2 LEU 28 9.588 0.911 -3.788
191 2HD2 LEU 28 2HD2 LEU 28 9.518 1.153 -5.534
192 3HD2 LEU 28 3HD2 LEU 28 9.853 2.517 -4.467
193 H ALA 29 H ALA 29 4.401 1.997 -5.669
194 HA ALA 29 HA ALA 29 3.801 -0.149 -7.444
195 1HB ALA 29 2HB ALA 29 3.546 1.777 -9.089
196 2HB ALA 29 1HB ALA 29 4.191 2.833 -7.832
197 3HB ALA 29 3HB ALA 29 2.671 1.978 -7.570
198 H GLY 30 H GLY 30 5.531 -1.479 -8.029
199 1HA GLY 30 1HA GLY 30 7.756 -0.160 -9.529
200 2HA GLY 30 2HA GLY 30 8.060 -1.506 -8.431
201 HA PRO 31 HA PRO 31 9.679 -1.380 -10.219
202 1HB PRO 31 1HB PRO 31 10.617 -1.174 -12.781
203 2HB PRO 31 2HB PRO 31 10.729 -2.667 -11.828
204 1HG PRO 31 2HG PRO 31 9.562 -3.491 -13.619
205 2HG PRO 31 1HG PRO 31 8.805 -1.929 -13.970
206 1HD PRO 31 1HD PRO 31 6.991 -2.855 -12.933
207 2HD PRO 31 2HD PRO 31 7.980 -4.053 -12.071
208 H TRP 32 H TRP 32 10.512 0.802 -10.616
209 HA TRP 32 HA TRP 32 8.497 2.811 -11.024
210 1HB TRP 32 1HB TRP 32 10.966 2.671 -9.888
211 2HB TRP 32 2HB TRP 32 11.366 3.501 -11.391
212 HD1 TRP 32 HD1 TRP 32 9.117 5.431 -11.892
213 HE1 TRP 32 HE1 TRP 32 8.511 7.330 -10.263
214 HE3 TRP 32 HE3 TRP 32 11.183 3.601 -7.592
215 HZ2 TRP 32 HZ2 TRP 32 8.855 7.990 -7.502
216 HZ3 TRP 32 HZ3 TRP 32 11.028 4.889 -5.479
217 HH2 TRP 32 HH2 TRP 32 9.868 7.079 -5.430
No H/Q in entry = 217
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 7.262 4.475 5.442
2 H2 GLY 1 H2 GLY 1 8.530 5.505 5.911
3 H3 GLY 1 H3 GLY 1 7.119 5.418 6.848
4 1HA GLY 1 1HA GLY 1 7.121 7.440 5.548
5 2HA GLY 1 2HA GLY 1 7.309 6.478 4.082
6 H CYS 2 H CYS 2 5.514 5.363 3.257
7 HA CYS 2 HA CYS 2 2.883 6.220 4.342
8 1HB CYS 2 1HB CYS 2 3.724 4.806 1.793
9 2HB CYS 2 2HB CYS 2 2.104 5.414 2.132
10 H LEU 3 H LEU 3 4.895 3.644 4.941
11 HA LEU 3 HA LEU 3 3.214 1.345 4.607
12 1HB LEU 3 1HB LEU 3 5.730 1.538 5.102
13 2HB LEU 3 2HB LEU 3 5.270 1.798 6.784
14 HG LEU 3 HG LEU 3 3.909 -0.364 6.593
15 1HD1 LEU 3 1HD1 LEU 3 5.193 -0.216 3.928
16 2HD1 LEU 3 2HD1 LEU 3 5.274 -1.792 4.716
17 3HD1 LEU 3 3HD1 LEU 3 3.710 -1.034 4.420
18 1HD2 LEU 3 1HD2 LEU 3 6.932 -0.404 6.336
19 2HD2 LEU 3 2HD2 LEU 3 5.999 -0.318 7.830
20 3HD2 LEU 3 3HD2 LEU 3 5.968 -1.787 6.854
21 H GLY 4 H GLY 4 1.211 1.169 5.545
22 1HA GLY 4 1HA GLY 4 0.187 0.659 7.819
23 2HA GLY 4 2HA GLY 4 0.867 2.202 8.336
24 H ASP 5 H ASP 5 0.222 3.459 5.679
25 HA ASP 5 HA ASP 5 -2.296 4.623 6.289
26 1HB ASP 5 1HB ASP 5 -0.464 5.429 4.730
27 2HB ASP 5 2HB ASP 5 -1.048 4.256 3.550
28 H LYS 6 H LYS 6 -4.405 4.068 5.711
29 HA LYS 6 HA LYS 6 -4.861 1.300 4.807
30 1HB LYS 6 1HB LYS 6 -6.419 3.560 5.997
31 2HB LYS 6 2HB LYS 6 -7.318 2.316 5.128
32 1HG LYS 6 1HG LYS 6 -5.274 1.626 7.247
33 2HG LYS 6 2HG LYS 6 -6.966 1.928 7.643
34 1HD LYS 6 1HD LYS 6 -6.177 -0.061 5.509
35 2HD LYS 6 2HD LYS 6 -6.284 -0.522 7.209
36 1HE LYS 6 1HE LYS 6 -8.650 0.462 7.192
37 2HE LYS 6 2HE LYS 6 -8.506 0.507 5.425
38 1HZ LYS 6 1HZ LYS 6 -7.864 -1.853 5.488
39 2HZ LYS 6 2HZ LYS 6 -8.143 -1.877 7.165
40 3HZ LYS 6 3HZ LYS 6 -9.430 -1.603 6.091
41 H CYS 7 H CYS 7 -5.736 0.705 2.840
42 HA CYS 7 HA CYS 7 -6.475 2.860 0.894
43 1HB CYS 7 1HB CYS 7 -4.151 2.076 0.530
44 2HB CYS 7 2HB CYS 7 -4.733 0.415 0.416
45 H ASP 8 H ASP 8 -8.230 2.294 -0.435
46 HA ASP 8 HA ASP 8 -9.874 0.032 0.427
47 1HB ASP 8 1HB ASP 8 -10.358 2.505 -0.571
48 2HB ASP 8 2HB ASP 8 -10.492 1.558 -2.053
49 H TYR 9 H TYR 9 -8.330 0.943 -2.687
50 HA TYR 9 HA TYR 9 -7.788 -1.895 -3.284
51 1HB TYR 9 1HB TYR 9 -10.218 -1.273 -3.896
52 2HB TYR 9 2HB TYR 9 -9.515 -0.275 -5.169
53 HD1 TYR 9 HD1 TYR 9 -9.423 -3.753 -3.780
54 HD2 TYR 9 HD2 TYR 9 -8.938 -1.239 -7.231
55 HE1 TYR 9 HE1 TYR 9 -9.143 -5.762 -5.205
56 HE2 TYR 9 HE2 TYR 9 -8.660 -3.250 -8.655
57 HH TYR 9 HH TYR 9 -9.601 -6.078 -8.046
58 H ASN 10 H ASN 10 -8.073 1.277 -4.954
59 HA ASN 10 HA ASN 10 -5.173 1.159 -5.619
60 1HB ASN 10 1HB ASN 10 -7.187 0.281 -7.343
61 2HB ASN 10 2HB ASN 10 -6.848 1.920 -7.901
62 2HD2 ASN 10 1HD2 ASN 10 -4.469 2.414 -8.357
63 1HD2 ASN 10 2HD2 ASN 10 -3.475 1.146 -8.892
64 H ASN 11 H ASN 11 -6.509 2.887 -3.785
65 HA ASN 11 HA ASN 11 -7.442 5.369 -4.755
66 1HB ASN 11 1HB ASN 11 -7.407 4.551 -2.393
67 2HB ASN 11 2HB ASN 11 -5.662 4.805 -2.356
68 2HD2 ASN 11 1HD2 ASN 11 -8.753 6.581 -2.857
69 1HD2 ASN 11 2HD2 ASN 11 -8.155 8.074 -2.316
70 H GLY 12 H GLY 12 -4.057 4.526 -3.878
71 1HA GLY 12 1HA GLY 12 -2.349 5.209 -5.645
72 2HA GLY 12 2HA GLY 12 -3.160 6.775 -5.637
73 H CYS 13 H CYS 13 -1.192 4.570 -3.690
74 HA CYS 13 HA CYS 13 -0.839 6.487 -1.499
75 1HB CYS 13 1HB CYS 13 -0.685 3.810 -1.705
76 2HB CYS 13 2HB CYS 13 1.015 4.187 -1.986
77 H CYS 14 H CYS 14 1.576 7.042 -0.921
78 HA CYS 14 HA CYS 14 2.676 8.727 -2.932
79 1HB CYS 14 1HB CYS 14 4.548 8.926 -1.362
80 2HB CYS 14 2HB CYS 14 3.030 8.886 -0.468
81 H SER 15 H SER 15 4.821 8.495 -3.988
82 HA SER 15 HA SER 15 5.082 6.205 -5.618
83 1HB SER 15 1HB SER 15 6.793 8.513 -4.791
84 2HB SER 15 2HB SER 15 7.570 7.198 -5.667
85 HG SER 15 HG SER 15 5.481 8.912 -6.464
86 H GLY 16 H GLY 16 5.899 4.186 -5.246
87 1HA GLY 16 1HA GLY 16 7.557 2.654 -4.372
88 2HA GLY 16 2HA GLY 16 7.884 3.793 -3.068
89 H TYR 17 H TYR 17 4.528 3.503 -3.495
90 HA TYR 17 HA TYR 17 4.351 1.263 -1.521
91 1HB TYR 17 1HB TYR 17 3.443 4.116 -1.332
92 2HB TYR 17 2HB TYR 17 2.511 2.867 -0.503
93 HD1 TYR 17 HD1 TYR 17 5.764 4.590 -0.696
94 HD2 TYR 17 HD2 TYR 17 3.464 1.593 1.346
95 HE1 TYR 17 HE1 TYR 17 7.449 4.536 1.119
96 HE2 TYR 17 HE2 TYR 17 5.151 1.535 3.160
97 HH TYR 17 HH TYR 17 8.190 2.741 2.888
98 H VAL 18 H VAL 18 2.625 -0.100 -1.871
99 HA VAL 18 HA VAL 18 0.597 0.703 -3.943
100 HB VAL 18 HB VAL 18 1.720 -2.072 -3.430
101 1HG1 VAL 18 1HG1 VAL 18 0.023 -0.815 -5.591
102 2HG1 VAL 18 2HG1 VAL 18 0.892 -2.327 -5.854
103 3HG1 VAL 18 3HG1 VAL 18 -0.342 -2.226 -4.598
104 1HG2 VAL 18 1HG2 VAL 18 2.724 0.181 -5.144
105 2HG2 VAL 18 2HG2 VAL 18 3.639 -1.005 -4.212
106 3HG2 VAL 18 3HG2 VAL 18 2.882 -1.473 -5.735
107 H CYS 19 H CYS 19 -1.473 -0.624 -3.706
108 HA CYS 19 HA CYS 19 -2.232 -0.779 -0.844
109 1HB CYS 19 1HB CYS 19 -3.774 -1.023 -3.450
110 2HB CYS 19 2HB CYS 19 -4.513 -0.992 -1.849
111 H SER 20 H SER 20 -1.879 -2.729 0.156
112 HA SER 20 HA SER 20 -1.582 -5.233 -1.300
113 1HB SER 20 1HB SER 20 -0.466 -4.510 0.865
114 2HB SER 20 2HB SER 20 -2.016 -4.764 1.661
115 HG SER 20 HG SER 20 -0.219 -6.600 0.570
116 H ARG 21 H ARG 21 -2.971 -7.130 -0.967
117 HA ARG 21 HA ARG 21 -5.846 -6.432 -0.945
118 1HB ARG 21 1HB ARG 21 -5.159 -7.810 -2.735
119 2HB ARG 21 2HB ARG 21 -4.117 -8.785 -1.702
120 1HG ARG 21 1HG ARG 21 -5.840 -10.097 -0.963
121 2HG ARG 21 2HG ARG 21 -7.011 -8.779 -1.025
122 1HD ARG 21 1HD ARG 21 -7.427 -10.565 -2.762
123 2HD ARG 21 2HD ARG 21 -7.142 -8.963 -3.471
124 HE ARG 21 HE ARG 21 -4.902 -9.670 -4.083
125 1HH1 ARG 21 1HH1 ARG 21 -3.569 -11.363 -2.478
126 2HH1 ARG 21 2HH1 ARG 21 -3.963 -12.985 -2.939
127 1HH2 ARG 21 1HH2 ARG 21 -6.819 -12.070 -4.696
128 2HH2 ARG 21 2HH2 ARG 21 -5.809 -13.387 -4.202
129 H THR 22 H THR 22 -3.480 -7.962 1.151
130 HA THR 22 HA THR 22 -5.299 -9.544 2.737
131 HB THR 22 HB THR 22 -2.592 -8.336 3.405
132 HG1 THR 22 HG1 THR 22 -3.417 -10.625 1.989
133 1HG2 THR 22 1HG2 THR 22 -4.321 -9.622 5.101
134 2HG2 THR 22 2HG2 THR 22 -3.362 -10.966 4.483
135 3HG2 THR 22 3HG2 THR 22 -2.567 -9.610 5.282
136 H TRP 23 H TRP 23 -3.446 -6.881 4.226
137 HA TRP 23 HA TRP 23 -5.774 -6.219 5.904
138 1HB TRP 23 1HB TRP 23 -3.064 -4.870 5.787
139 2HB TRP 23 2HB TRP 23 -4.187 -4.900 7.140
140 HD1 TRP 23 HD1 TRP 23 -1.056 -6.275 6.452
141 HE1 TRP 23 HE1 TRP 23 -0.707 -8.617 7.476
142 HE3 TRP 23 HE3 TRP 23 -5.910 -7.560 7.416
143 HZ2 TRP 23 HZ2 TRP 23 -2.275 -10.750 8.560
144 HZ3 TRP 23 HZ3 TRP 23 -6.450 -9.749 8.445
145 HH2 TRP 23 HH2 TRP 23 -4.641 -11.344 9.017
146 H LYS 24 H LYS 24 -4.881 -5.295 2.817
147 HA LYS 24 HA LYS 24 -5.474 -3.485 1.439
148 1HB LYS 24 1HB LYS 24 -7.501 -3.804 3.548
149 2HB LYS 24 2HB LYS 24 -7.486 -2.192 2.836
150 1HG LYS 24 1HG LYS 24 -8.514 -2.968 0.992
151 2HG LYS 24 2HG LYS 24 -7.210 -4.126 0.730
152 1HD LYS 24 1HD LYS 24 -8.449 -5.848 1.511
153 2HD LYS 24 2HD LYS 24 -8.974 -4.928 2.920
154 1HE LYS 24 2HE LYS 24 -10.315 -3.730 0.756
155 2HE LYS 24 1HE LYS 24 -11.024 -4.838 1.946
156 1HZ LYS 24 1HZ LYS 24 -10.244 -6.700 0.591
157 2HZ LYS 24 2HZ LYS 24 -11.280 -5.698 -0.309
158 3HZ LYS 24 3HZ LYS 24 -9.603 -5.622 -0.556
159 H TRP 25 H TRP 25 -3.191 -2.757 2.454
160 HA TRP 25 HA TRP 25 -3.584 0.068 3.265
161 1HB TRP 25 2HB TRP 25 -3.307 -1.607 5.255
162 2HB TRP 25 1HB TRP 25 -2.385 -0.110 5.267
163 HD1 TRP 25 HD1 TRP 25 0.092 -0.311 5.619
164 HE1 TRP 25 HE1 TRP 25 1.820 -2.214 5.547
165 HE3 TRP 25 HE3 TRP 25 -2.825 -4.103 3.824
166 HZ2 TRP 25 HZ2 TRP 25 1.962 -4.971 4.831
167 HZ3 TRP 25 HZ3 TRP 25 -1.860 -6.356 3.457
168 HH2 TRP 25 HH2 TRP 25 0.524 -6.795 3.958
169 H CYS 26 H CYS 26 -1.242 1.133 3.350
170 HA CYS 26 HA CYS 26 -0.081 0.697 0.709
171 1HB CYS 26 1HB CYS 26 0.381 2.543 3.047
172 2HB CYS 26 2HB CYS 26 1.449 2.574 1.643
173 H VAL 27 H VAL 27 1.524 -0.731 0.275
174 HA VAL 27 HA VAL 27 3.334 -1.606 2.494
175 HB VAL 27 HB VAL 27 3.537 -3.664 1.064
176 1HG1 VAL 27 1HG1 VAL 27 1.885 -3.434 2.935
177 2HG1 VAL 27 2HG1 VAL 27 0.676 -2.958 1.744
178 3HG1 VAL 27 3HG1 VAL 27 1.385 -4.572 1.685
179 1HG2 VAL 27 1HG2 VAL 27 2.677 -2.198 -0.998
180 2HG2 VAL 27 2HG2 VAL 27 2.392 -3.936 -0.925
181 3HG2 VAL 27 3HG2 VAL 27 1.114 -2.813 -0.462
182 H LEU 28 H LEU 28 5.599 -1.791 1.971
183 HA LEU 28 HA LEU 28 6.626 0.171 0.117
184 1HB LEU 28 1HB LEU 28 7.557 -1.643 2.172
185 2HB LEU 28 2HB LEU 28 8.641 -1.705 0.782
186 HG LEU 28 HG LEU 28 7.735 0.845 2.150
187 1HD1 LEU 28 1HD1 LEU 28 9.377 -0.846 3.341
188 2HD1 LEU 28 2HD1 LEU 28 10.548 -0.196 2.192
189 3HD1 LEU 28 3HD1 LEU 28 9.738 0.880 3.330
190 1HD2 LEU 28 1HD2 LEU 28 9.254 0.212 -0.313
191 2HD2 LEU 28 2HD2 LEU 28 8.353 1.667 0.111
192 3HD2 LEU 28 3HD2 LEU 28 9.990 1.434 0.725
193 H ALA 29 H ALA 29 6.667 -0.087 -2.075
194 HA ALA 29 HA ALA 29 6.216 -2.596 -3.416
195 1HB ALA 29 3HB ALA 29 6.630 -1.251 -5.415
196 2HB ALA 29 2HB ALA 29 7.434 -0.014 -4.449
197 3HB ALA 29 1HB ALA 29 5.703 -0.293 -4.261
198 H GLY 30 H GLY 30 7.671 -4.149 -4.034
199 1HA GLY 30 1HA GLY 30 10.083 -4.264 -5.079
200 2HA GLY 30 2HA GLY 30 10.556 -3.649 -3.496
201 HA PRO 31 HA PRO 31 11.993 -4.306 -2.599
202 1HB PRO 31 1HB PRO 31 14.150 -5.980 -2.440
203 2HB PRO 31 2HB PRO 31 13.069 -5.665 -1.069
204 1HG PRO 31 2HG PRO 31 12.835 -7.938 -1.156
205 2HG PRO 31 1HG PRO 31 13.181 -8.008 -2.890
206 1HD PRO 31 1HD PRO 31 10.919 -8.221 -3.101
207 2HD PRO 31 2HD PRO 31 10.615 -7.544 -1.487
208 H TRP 32 H TRP 32 13.534 -3.394 -4.059
209 HA TRP 32 HA TRP 32 13.692 -4.737 -6.739
210 1HB TRP 32 1HB TRP 32 12.459 -2.679 -6.823
211 2HB TRP 32 2HB TRP 32 13.649 -1.848 -5.822
212 HD1 TRP 32 HD1 TRP 32 14.979 -0.226 -7.239
213 HE1 TRP 32 HE1 TRP 32 16.015 -0.241 -9.599
214 HE3 TRP 32 HE3 TRP 32 13.415 -4.811 -8.863
215 HZ2 TRP 32 HZ2 TRP 32 16.161 -1.967 -11.875
216 HZ3 TRP 32 HZ3 TRP 32 14.017 -5.614 -11.129
217 HH2 TRP 32 HH2 TRP 32 15.386 -4.199 -12.636
No H/Q in entry = 217
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