Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
142315 | 1go0 RC | 5485 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -2 1H GLY -2 17.650 4.346 -7.234
2 H2 GLY -2 3H GLY -2 19.183 4.510 -7.946
3 H3 GLY -2 2H GLY -2 19.017 4.552 -6.257
4 1HA GLY -2 1HA GLY -2 19.366 6.762 -7.319
5 2HA GLY -2 2HA GLY -2 17.951 6.631 -6.286
6 H SER -1 H SER -1 16.106 5.422 -7.840
7 HA SER -1 HA SER -1 15.502 7.523 -9.739
8 HG SER -1 HG SER -1 17.147 6.834 -11.345
9 H VAL 1 H VAL 1 14.258 7.547 -7.563
10 HA VAL 1 HA VAL 1 12.447 7.196 -6.270
11 HB VAL 1 HB VAL 1 11.489 8.508 -8.150
12 1HG1 VAL 1 2HG1 VAL 1 11.408 6.051 -9.508
13 2HG1 VAL 1 3HG1 VAL 1 9.735 6.545 -9.247
14 3HG1 VAL 1 1HG1 VAL 1 10.857 7.628 -10.071
15 1HG2 VAL 1 3HG2 VAL 1 10.211 7.240 -6.048
16 2HG2 VAL 1 1HG2 VAL 1 9.631 8.634 -6.960
17 3HG2 VAL 1 2HG2 VAL 1 9.135 7.008 -7.428
18 H ASP 2 H ASP 2 13.854 5.029 -6.282
19 HA ASP 2 HA ASP 2 12.711 2.653 -7.218
20 H PHE 3 H PHE 3 10.930 1.674 -6.671
21 HA PHE 3 HA PHE 3 9.222 2.466 -4.600
22 HD1 PHE 3 1HD PHE 3 8.304 -1.768 -4.761
23 HD2 PHE 3 2HD PHE 3 6.622 2.128 -5.032
24 HE1 PHE 3 1HE PHE 3 6.328 -2.537 -3.520
25 HE2 PHE 3 2HE PHE 3 4.642 1.364 -3.790
26 HZ PHE 3 HZ PHE 3 4.495 -0.970 -3.027
27 H ALA 4 H ALA 4 11.396 -0.329 -4.849
28 HA ALA 4 HA ALA 4 10.750 -1.502 -2.398
29 1HB ALA 4 2HB ALA 4 13.161 -1.674 -4.168
30 2HB ALA 4 3HB ALA 4 13.067 -2.568 -2.648
31 3HB ALA 4 1HB ALA 4 11.877 -2.858 -3.919
32 H PHE 5 H PHE 5 13.388 0.753 -3.198
33 HA PHE 5 HA PHE 5 14.578 0.762 -0.664
34 HD1 PHE 5 1HD PHE 5 16.297 1.576 0.230
35 HD2 PHE 5 2HD PHE 5 15.771 4.891 -2.392
36 HE1 PHE 5 1HE PHE 5 17.719 2.952 1.689
37 HE2 PHE 5 2HE PHE 5 17.190 6.273 -0.930
38 HZ PHE 5 HZ PHE 5 18.166 5.302 1.113
39 H GLU 6 H GLU 6 12.173 2.990 -2.063
40 HA GLU 6 HA GLU 6 11.938 4.590 0.245
41 H LEU 7 H LEU 7 10.238 1.653 -0.770
42 HA LEU 7 HA LEU 7 8.228 1.830 1.205
43 HG LEU 7 HG LEU 7 7.485 -1.080 1.606
44 1HD1 LEU 7 1HD1 LEU 7 6.545 1.368 0.856
45 2HD1 LEU 7 2HD1 LEU 7 5.403 0.281 0.063
46 3HD1 LEU 7 3HD1 LEU 7 5.647 0.185 1.808
47 1HD2 LEU 7 2HD2 LEU 7 7.624 -2.167 -0.795
48 2HD2 LEU 7 3HD2 LEU 7 6.290 -2.521 0.302
49 3HD2 LEU 7 1HD2 LEU 7 6.076 -1.346 -0.996
50 H ARG 8 H ARG 8 11.302 0.004 1.130
51 HA ARG 8 HA ARG 8 10.931 -1.105 3.719
52 HE ARG 8 HE ARG 8 14.533 -3.414 1.665
53 1HH1 ARG 8 2HH1 ARG 8 15.906 -0.986 -0.432
54 2HH1 ARG 8 1HH1 ARG 8 15.602 -1.884 -1.892
55 1HH2 ARG 8 2HH2 ARG 8 14.103 -4.593 -0.225
56 2HH2 ARG 8 1HH2 ARG 8 14.568 -3.946 -1.774
57 H LYS 9 H LYS 9 12.334 1.874 2.544
58 HA LYS 9 HA LYS 9 13.495 2.700 4.996
59 1HZ LYS 9 2HZ LYS 9 14.898 7.619 0.967
60 2HZ LYS 9 1HZ LYS 9 13.342 8.034 0.444
61 3HZ LYS 9 3HZ LYS 9 13.993 8.758 1.835
62 H ALA 10 H ALA 10 10.280 3.099 3.568
63 HA ALA 10 HA ALA 10 9.180 4.758 5.583
64 1HB ALA 10 1HB ALA 10 7.189 4.501 4.503
65 2HB ALA 10 3HB ALA 10 7.447 2.782 4.198
66 3HB ALA 10 2HB ALA 10 8.278 3.987 3.213
67 H GLN 11 H GLN 11 9.499 1.276 5.244
68 HA GLN 11 HA GLN 11 7.944 0.548 7.499
69 1HE2 GLN 11 1HE2 GLN 11 8.737 -4.129 7.703
70 2HE2 GLN 11 2HE2 GLN 11 8.323 -3.919 9.376
71 H ASP 12 H ASP 12 11.343 1.342 7.033
72 HA ASP 12 HA ASP 12 12.144 0.657 9.684
73 H THR 13 H THR 13 11.660 3.807 8.049
74 HA THR 13 HA THR 13 11.659 5.032 10.730
75 HB THR 13 HB THR 13 13.544 5.813 9.421
76 HG1 THR 13 1HG THR 13 11.432 7.648 9.855
77 1HG2 THR 13 3HG2 THR 13 11.551 5.982 7.290
78 2HG2 THR 13 2HG2 THR 13 12.591 7.403 7.400
79 3HG2 THR 13 1HG2 THR 13 13.304 5.802 7.192
80 H GLY 14 H GLY 14 9.324 3.928 9.935
81 1HA GLY 14 2HA GLY 14 7.482 5.359 8.498
82 2HA GLY 14 1HA GLY 14 7.583 6.198 10.039
83 H LYS 15 H LYS 15 5.586 4.334 8.556
84 HA LYS 15 HA LYS 15 5.222 2.159 10.415
85 1HZ LYS 15 3HZ LYS 15 0.490 3.860 12.777
86 2HZ LYS 15 2HZ LYS 15 -0.884 2.936 13.143
87 3HZ LYS 15 1HZ LYS 15 0.623 2.512 13.802
88 H ILE 16 H ILE 16 4.614 0.577 9.116
89 HA ILE 16 HA ILE 16 2.812 1.188 6.853
90 HB ILE 16 HB ILE 16 4.987 -0.913 6.925
91 1HG2 ILE 16 3HG2 ILE 16 2.731 -0.839 5.369
92 2HG2 ILE 16 1HG2 ILE 16 3.945 -0.088 4.332
93 3HG2 ILE 16 2HG2 ILE 16 4.220 -1.704 4.985
94 1HD1 ILE 16 2HD1 ILE 16 3.775 2.035 5.279
95 2HD1 ILE 16 3HD1 ILE 16 5.174 3.035 5.665
96 3HD1 ILE 16 1HD1 ILE 16 5.167 2.059 4.195
97 H VAL 17 H VAL 17 0.973 0.077 6.816
98 HA VAL 17 HA VAL 17 0.625 -2.216 8.609
99 HB VAL 17 HB VAL 17 -1.418 -0.800 6.880
100 1HG1 VAL 17 3HG1 VAL 17 -1.916 -3.182 7.441
101 2HG1 VAL 17 1HG1 VAL 17 -1.882 -2.732 9.146
102 3HG1 VAL 17 2HG1 VAL 17 -3.090 -2.027 8.072
103 1HG2 VAL 17 2HG2 VAL 17 -0.323 -0.211 9.523
104 2HG2 VAL 17 3HG2 VAL 17 -1.234 0.816 8.415
105 3HG2 VAL 17 1HG2 VAL 17 -2.084 -0.299 9.485
106 H MET 18 H MET 18 0.537 -4.277 7.861
107 HA MET 18 HA MET 18 0.513 -4.646 4.936
108 1HE MET 18 3HE MET 18 4.062 -4.997 8.031
109 2HE MET 18 1HE MET 18 4.937 -6.526 7.967
110 3HE MET 18 2HE MET 18 5.823 -5.001 7.924
111 H GLY 19 H GLY 19 -1.027 -5.951 4.216
112 1HA GLY 19 2HA GLY 19 -2.743 -7.332 6.072
113 2HA GLY 19 1HA GLY 19 -1.775 -8.420 5.086
114 H ALA 20 H ALA 20 -4.706 -7.072 5.309
115 HA ALA 20 HA ALA 20 -5.154 -6.114 2.668
116 1HB ALA 20 1HB ALA 20 -5.749 -7.939 1.546
117 2HB ALA 20 3HB ALA 20 -6.879 -8.405 2.817
118 3HB ALA 20 2HB ALA 20 -5.190 -8.907 2.910
119 H ARG 21 H ARG 21 -6.951 -7.959 5.149
120 HA ARG 21 HA ARG 21 -9.244 -6.276 5.000
121 HE ARG 21 HE ARG 21 -11.073 -10.367 4.038
122 1HH1 ARG 21 2HH1 ARG 21 -7.675 -10.880 3.333
123 2HH1 ARG 21 1HH1 ARG 21 -7.976 -12.107 2.140
124 1HH2 ARG 21 2HH2 ARG 21 -11.470 -11.983 2.471
125 2HH2 ARG 21 1HH2 ARG 21 -10.136 -12.709 1.626
126 H LYS 22 H LYS 22 -6.418 -6.371 7.107
127 HA LYS 22 HA LYS 22 -7.243 -4.462 8.996
128 1HZ LYS 22 2HZ LYS 22 -5.555 -2.132 12.245
129 2HZ LYS 22 1HZ LYS 22 -4.700 -2.418 13.680
130 3HZ LYS 22 3HZ LYS 22 -3.881 -2.432 12.193
131 H SER 23 H SER 23 -5.654 -4.134 5.871
132 HA SER 23 HA SER 23 -5.144 -1.361 6.016
133 HG SER 23 HG SER 23 -4.500 -1.392 2.547
134 H ILE 24 H ILE 24 -7.905 -3.243 4.901
135 HA ILE 24 HA ILE 24 -9.318 -1.234 3.557
136 HB ILE 24 HB ILE 24 -10.493 -3.503 5.179
137 1HG2 ILE 24 3HG2 ILE 24 -11.649 -1.730 3.036
138 2HG2 ILE 24 1HG2 ILE 24 -12.387 -3.253 3.536
139 3HG2 ILE 24 2HG2 ILE 24 -12.210 -1.934 4.696
140 1HD1 ILE 24 2HD1 ILE 24 -11.337 -5.299 3.838
141 2HD1 ILE 24 3HD1 ILE 24 -11.319 -5.027 2.096
142 3HD1 ILE 24 1HD1 ILE 24 -10.064 -6.014 2.848
143 H GLN 25 H GLN 25 -9.178 -2.082 6.965
144 HA GLN 25 HA GLN 25 -11.235 -0.439 7.911
145 1HE2 GLN 25 1HE2 GLN 25 -9.968 -3.021 10.591
146 2HE2 GLN 25 2HE2 GLN 25 -9.917 -3.300 12.299
147 H TYR 26 H TYR 26 -7.850 0.257 7.223
148 HA TYR 26 HA TYR 26 -7.874 2.894 8.314
149 HD1 TYR 26 1HD TYR 26 -6.454 -0.089 8.536
150 HD2 TYR 26 2HD TYR 26 -4.242 3.543 8.504
151 HE1 TYR 26 1HE TYR 26 -5.217 -0.831 10.527
152 HE2 TYR 26 2HE TYR 26 -2.997 2.810 10.491
153 HH TYR 26 HH TYR 26 -2.554 0.038 11.465
154 H ALA 27 H ALA 27 -8.582 1.495 5.181
155 HA ALA 27 HA ALA 27 -8.843 3.965 3.785
156 1HB ALA 27 1HB ALA 27 -9.677 1.145 3.248
157 2HB ALA 27 3HB ALA 27 -8.541 2.167 2.367
158 3HB ALA 27 2HB ALA 27 -10.275 2.455 2.229
159 H LYS 28 H LYS 28 -11.019 1.928 5.631
160 HA LYS 28 HA LYS 28 -13.439 3.139 4.882
161 1HZ LYS 28 2HZ LYS 28 -14.556 -1.935 8.722
162 2HZ LYS 28 1HZ LYS 28 -16.156 -1.416 8.950
163 3HZ LYS 28 3HZ LYS 28 -15.782 -2.489 7.691
164 H MET 29 H MET 29 -11.410 3.690 7.767
165 HA MET 29 HA MET 29 -12.747 6.289 8.151
166 1HE MET 29 1HE MET 29 -14.814 3.030 10.133
167 2HE MET 29 2HE MET 29 -14.531 1.471 10.912
168 3HE MET 29 3HE MET 29 -15.585 2.664 11.676
169 H GLY 30 H GLY 30 -9.966 5.326 7.454
170 1HA GLY 30 2HA GLY 30 -7.831 5.326 8.493
171 2HA GLY 30 1HA GLY 30 -8.519 6.215 9.845
172 H GLY 31 H GLY 31 -6.169 6.721 8.298
173 1HA GLY 31 2HA GLY 31 -6.075 9.432 8.165
174 2HA GLY 31 1HA GLY 31 -6.676 8.976 6.574
175 H ALA 32 H ALA 32 -5.280 6.591 6.245
176 HA ALA 32 HA ALA 32 -2.483 6.894 6.645
177 1HB ALA 32 3HB ALA 32 -3.528 5.257 4.391
178 2HB ALA 32 2HB ALA 32 -3.955 4.781 6.035
179 3HB ALA 32 1HB ALA 32 -2.260 4.888 5.560
180 H LYS 33 H LYS 33 -0.946 7.799 5.332
181 HA LYS 33 HA LYS 33 -1.819 9.803 3.542
182 1HZ LYS 33 3HZ LYS 33 1.495 13.583 3.213
183 2HZ LYS 33 2HZ LYS 33 0.919 14.211 4.680
184 3HZ LYS 33 1HZ LYS 33 1.770 12.745 4.664
185 H LEU 34 H LEU 34 -0.459 6.580 3.059
186 HA LEU 34 HA LEU 34 -1.400 6.697 0.287
187 HG LEU 34 HG LEU 34 0.669 4.336 -0.558
188 1HD1 LEU 34 2HD1 LEU 34 -1.017 5.740 -1.648
189 2HD1 LEU 34 3HD1 LEU 34 0.261 6.782 -2.272
190 3HD1 LEU 34 1HD1 LEU 34 0.153 5.104 -2.804
191 1HD2 LEU 34 2HD2 LEU 34 2.848 6.269 -0.853
192 2HD2 LEU 34 3HD2 LEU 34 2.877 4.505 -0.874
193 3HD2 LEU 34 1HD2 LEU 34 2.433 5.398 -2.329
194 H ILE 35 H ILE 35 -2.250 4.776 -0.436
195 HA ILE 35 HA ILE 35 -1.747 2.391 1.220
196 HB ILE 35 HB ILE 35 -4.418 3.253 0.102
197 1HG2 ILE 35 3HG2 ILE 35 -3.398 0.621 0.203
198 2HG2 ILE 35 1HG2 ILE 35 -4.585 0.770 1.499
199 3HG2 ILE 35 2HG2 ILE 35 -5.045 1.137 -0.163
200 1HD1 ILE 35 2HD1 ILE 35 -6.073 2.273 1.929
201 2HD1 ILE 35 3HD1 ILE 35 -5.612 2.485 3.618
202 3HD1 ILE 35 1HD1 ILE 35 -6.039 3.887 2.638
203 H ILE 36 H ILE 36 -0.946 0.755 0.079
204 HA ILE 36 HA ILE 36 -1.061 0.952 -2.859
205 HB ILE 36 HB ILE 36 1.026 -0.397 -1.135
206 1HG2 ILE 36 1HG2 ILE 36 0.699 -0.110 -4.100
207 2HG2 ILE 36 2HG2 ILE 36 2.297 -0.304 -3.378
208 3HG2 ILE 36 3HG2 ILE 36 1.070 -1.552 -3.153
209 1HD1 ILE 36 3HD1 ILE 36 3.309 0.680 -2.236
210 2HD1 ILE 36 1HD1 ILE 36 3.360 2.437 -2.099
211 3HD1 ILE 36 2HD1 ILE 36 3.186 1.446 -0.652
212 H VAL 37 H VAL 37 -1.919 -0.678 -4.002
213 HA VAL 37 HA VAL 37 -2.425 -3.232 -2.613
214 HB VAL 37 HB VAL 37 -4.479 -3.493 -3.998
215 1HG1 VAL 37 2HG1 VAL 37 -4.213 -2.244 -1.623
216 2HG1 VAL 37 3HG1 VAL 37 -5.002 -0.976 -2.560
217 3HG1 VAL 37 1HG1 VAL 37 -5.765 -2.557 -2.400
218 1HG2 VAL 37 3HG2 VAL 37 -3.476 -1.119 -5.244
219 2HG2 VAL 37 1HG2 VAL 37 -4.835 -2.136 -5.720
220 3HG2 VAL 37 2HG2 VAL 37 -5.083 -0.808 -4.588
221 H ALA 38 H ALA 38 -1.894 -5.066 -3.697
222 HA ALA 38 HA ALA 38 -0.098 -4.913 -5.874
223 1HB ALA 38 1HB ALA 38 -0.848 -7.509 -5.902
224 2HB ALA 38 3HB ALA 38 -1.352 -7.043 -4.277
225 3HB ALA 38 2HB ALA 38 0.327 -6.833 -4.773
226 H ARG 39 H ARG 39 -0.355 -5.280 -8.056
227 HA ARG 39 HA ARG 39 -2.842 -4.693 -9.239
228 HE ARG 39 HE ARG 39 -1.575 -1.456 -11.819
229 1HH1 ARG 39 2HH1 ARG 39 -4.735 -2.895 -12.284
230 2HH1 ARG 39 1HH1 ARG 39 -5.410 -1.479 -13.043
231 1HH2 ARG 39 2HH2 ARG 39 -2.469 0.428 -12.773
232 2HH2 ARG 39 1HH2 ARG 39 -4.138 0.422 -13.280
233 H ASN 40 H ASN 40 -1.129 -7.750 -8.742
234 HA ASN 40 HA ASN 40 -3.357 -9.230 -9.877
235 1HD2 ASN 40 1HD2 ASN 40 -1.690 -11.820 -11.399
236 2HD2 ASN 40 2HD2 ASN 40 -0.809 -10.928 -12.598
237 H ALA 41 H ALA 41 -3.937 -7.729 -7.536
238 HA ALA 41 HA ALA 41 -4.332 -9.754 -5.458
239 1HB ALA 41 1HB ALA 41 -3.837 -7.098 -5.213
240 2HB ALA 41 2HB ALA 41 -5.598 -7.114 -5.127
241 3HB ALA 41 3HB ALA 41 -4.652 -8.069 -3.986
242 H ARG 42 H ARG 42 -6.585 -10.041 -4.621
243 HA ARG 42 HA ARG 42 -8.307 -10.701 -6.773
244 HE ARG 42 HE ARG 42 -10.711 -12.909 -5.313
245 1HH1 ARG 42 2HH1 ARG 42 -10.316 -15.317 -2.798
246 2HH1 ARG 42 1HH1 ARG 42 -11.899 -16.000 -3.029
247 1HH2 ARG 42 2HH2 ARG 42 -12.778 -13.789 -5.608
248 2HH2 ARG 42 1HH2 ARG 42 -13.312 -15.110 -4.616
249 HA PRO 43 HA PRO 43 -10.247 -6.862 -7.716
250 H ASP 44 H ASP 44 -11.968 -9.191 -5.658
251 HA ASP 44 HA ASP 44 -13.877 -7.438 -4.560
252 H ILE 45 H ILE 45 -10.577 -8.198 -3.592
253 HA ILE 45 HA ILE 45 -10.570 -6.528 -1.279
254 HB ILE 45 HB ILE 45 -8.290 -7.673 -2.903
255 1HG2 ILE 45 1HG2 ILE 45 -8.018 -5.555 -1.269
256 2HG2 ILE 45 2HG2 ILE 45 -7.826 -6.868 -0.108
257 3HG2 ILE 45 3HG2 ILE 45 -6.764 -6.770 -1.513
258 1HD1 ILE 45 3HD1 ILE 45 -9.879 -7.534 0.309
259 2HD1 ILE 45 1HD1 ILE 45 -10.556 -9.161 0.228
260 3HD1 ILE 45 2HD1 ILE 45 -8.949 -8.908 0.908
261 H LYS 46 H LYS 46 -9.263 -6.192 -4.569
262 HA LYS 46 HA LYS 46 -8.097 -3.691 -4.183
263 1HZ LYS 46 1HZ LYS 46 -7.731 -3.769 -8.892
264 2HZ LYS 46 3HZ LYS 46 -7.074 -2.559 -7.896
265 3HZ LYS 46 2HZ LYS 46 -6.474 -2.788 -9.462
266 H GLU 47 H GLU 47 -11.255 -4.388 -5.744
267 HA GLU 47 HA GLU 47 -11.892 -1.697 -6.215
268 H ASP 48 H ASP 48 -12.470 -3.747 -3.435
269 HA ASP 48 HA ASP 48 -14.223 -2.026 -2.049
270 H ILE 49 H ILE 49 -10.706 -2.531 -1.691
271 HA ILE 49 HA ILE 49 -10.351 -0.505 0.248
272 HB ILE 49 HB ILE 49 -8.330 -1.719 -1.638
273 1HG2 ILE 49 3HG2 ILE 49 -7.977 0.096 0.739
274 2HG2 ILE 49 1HG2 ILE 49 -6.675 -0.889 0.069
275 3HG2 ILE 49 2HG2 ILE 49 -7.435 0.360 -0.918
276 1HD1 ILE 49 2HD1 ILE 49 -6.575 -2.754 -0.101
277 2HD1 ILE 49 3HD1 ILE 49 -7.075 -3.379 1.470
278 3HD1 ILE 49 1HD1 ILE 49 -7.402 -4.308 0.007
279 H GLU 50 H GLU 50 -9.728 -0.516 -3.264
280 HA GLU 50 HA GLU 50 -8.666 2.040 -3.450
281 H TYR 51 H TYR 51 -12.059 1.028 -3.670
282 HA TYR 51 HA TYR 51 -13.060 3.627 -4.233
283 HD1 TYR 51 1HD TYR 51 -16.553 1.228 -2.296
284 HD2 TYR 51 2HD TYR 51 -15.109 4.491 -4.614
285 HE1 TYR 51 1HE TYR 51 -18.651 2.442 -1.884
286 HE2 TYR 51 2HE TYR 51 -17.199 5.712 -4.206
287 HH TYR 51 HH TYR 51 -19.491 4.720 -1.875
288 H TYR 52 H TYR 52 -12.938 1.703 -1.234
289 HA TYR 52 HA TYR 52 -14.152 3.593 0.419
290 HD1 TYR 52 1HD TYR 52 -13.741 0.183 3.226
291 HD2 TYR 52 2HD TYR 52 -15.212 1.928 -0.361
292 HE1 TYR 52 1HE TYR 52 -15.803 -1.136 3.437
293 HE2 TYR 52 2HE TYR 52 -17.276 0.608 -0.162
294 HH TYR 52 HH TYR 52 -18.209 -0.934 2.640
295 H ALA 53 H ALA 53 -10.732 3.140 -0.366
296 HA ALA 53 HA ALA 53 -9.789 5.178 1.371
297 1HB ALA 53 2HB ALA 53 -8.573 3.241 -0.047
298 2HB ALA 53 3HB ALA 53 -8.243 4.634 -1.075
299 3HB ALA 53 1HB ALA 53 -7.735 4.646 0.613
300 H ARG 54 H ARG 54 -10.624 5.131 -2.089
301 HA ARG 54 HA ARG 54 -9.832 7.735 -2.683
302 HE ARG 54 HE ARG 54 -8.213 7.562 -5.111
303 1HH1 ARG 54 2HH1 ARG 54 -10.447 8.633 -7.593
304 2HH1 ARG 54 1HH1 ARG 54 -9.640 7.767 -8.870
305 1HH2 ARG 54 2HH2 ARG 54 -7.159 6.423 -6.768
306 2HH2 ARG 54 1HH2 ARG 54 -7.770 6.492 -8.395
307 H LEU 55 H LEU 55 -13.009 6.580 -1.526
308 HA LEU 55 HA LEU 55 -14.232 9.123 -1.690
309 HG LEU 55 HG LEU 55 -14.101 6.048 0.381
310 1HD1 LEU 55 1HD1 LEU 55 -14.990 7.970 1.885
311 2HD1 LEU 55 2HD1 LEU 55 -16.444 6.980 1.984
312 3HD1 LEU 55 3HD1 LEU 55 -14.899 6.331 2.530
313 1HD2 LEU 55 1HD2 LEU 55 -17.071 5.656 0.037
314 2HD2 LEU 55 2HD2 LEU 55 -15.791 4.853 -0.871
315 3HD2 LEU 55 3HD2 LEU 55 -15.984 4.533 0.852
316 H SER 56 H SER 56 -12.306 7.575 0.778
317 HA SER 56 HA SER 56 -12.780 9.589 2.772
318 HG SER 56 HG SER 56 -12.180 6.187 3.202
319 H GLY 57 H GLY 57 -10.980 9.512 -0.043
320 1HA GLY 57 2HA GLY 57 -9.603 11.964 0.619
321 2HA GLY 57 1HA GLY 57 -9.583 11.135 -0.932
322 H ILE 58 H ILE 58 -8.848 8.594 0.457
323 HA ILE 58 HA ILE 58 -6.082 9.174 1.232
324 HB ILE 58 HB ILE 58 -7.650 6.587 1.336
325 1HG2 ILE 58 3HG2 ILE 58 -4.811 7.074 1.375
326 2HG2 ILE 58 1HG2 ILE 58 -5.348 6.342 2.886
327 3HG2 ILE 58 2HG2 ILE 58 -5.690 5.546 1.351
328 1HD1 ILE 58 2HD1 ILE 58 -8.208 5.852 3.733
329 2HD1 ILE 58 3HD1 ILE 58 -6.582 6.154 4.347
330 3HD1 ILE 58 1HD1 ILE 58 -7.961 6.992 5.056
331 HA PRO 59 HA PRO 59 -5.048 8.410 -3.033
332 H VAL 60 H VAL 60 -5.033 6.514 -3.991
333 HA VAL 60 HA VAL 60 -3.769 4.217 -2.666
334 HB VAL 60 HB VAL 60 -5.733 4.215 -4.964
335 1HG1 VAL 60 3HG1 VAL 60 -4.143 2.236 -4.601
336 2HG1 VAL 60 1HG1 VAL 60 -5.099 1.911 -3.156
337 3HG1 VAL 60 2HG1 VAL 60 -5.868 1.898 -4.743
338 1HG2 VAL 60 1HG2 VAL 60 -6.475 5.078 -2.611
339 2HG2 VAL 60 2HG2 VAL 60 -7.490 3.948 -3.510
340 3HG2 VAL 60 3HG2 VAL 60 -6.459 3.362 -2.204
341 H TYR 61 H TYR 61 -2.208 3.024 -3.673
342 HA TYR 61 HA TYR 61 -1.377 3.877 -6.364
343 HD1 TYR 61 1HD TYR 61 0.586 4.479 -7.529
344 HD2 TYR 61 2HD TYR 61 2.344 1.964 -4.582
345 HE1 TYR 61 1HE TYR 61 2.346 3.849 -9.124
346 HE2 TYR 61 2HE TYR 61 4.110 1.331 -6.170
347 HH TYR 61 HH TYR 61 4.031 2.416 -9.534
348 H GLU 62 H GLU 62 -1.126 2.263 -7.802
349 HA GLU 62 HA GLU 62 -1.790 -0.429 -6.949
350 H PHE 63 H PHE 63 -0.282 -1.866 -6.432
351 HA PHE 63 HA PHE 63 2.506 -1.388 -6.802
352 HD1 PHE 63 1HD PHE 63 4.356 -2.204 -5.876
353 HD2 PHE 63 2HD PHE 63 2.214 -5.881 -5.942
354 HE1 PHE 63 1HE PHE 63 6.485 -3.444 -5.884
355 HE2 PHE 63 2HE PHE 63 4.333 -7.122 -5.949
356 HZ PHE 63 HZ PHE 63 6.492 -5.865 -5.987
357 H GLU 64 H GLU 64 3.771 -1.882 -8.451
358 HA GLU 64 HA GLU 64 2.672 -3.012 -10.845
359 H GLY 65 H GLY 65 2.159 -5.013 -9.399
360 1HA GLY 65 2HA GLY 65 4.266 -6.845 -8.854
361 2HA GLY 65 1HA GLY 65 3.524 -7.194 -10.409
362 H THR 66 H THR 66 3.457 -9.070 -8.483
363 HA THR 66 HA THR 66 0.596 -9.179 -7.847
364 HB THR 66 HB THR 66 1.514 -11.007 -9.240
365 HG1 THR 66 1HG THR 66 0.358 -12.533 -8.201
366 1HG2 THR 66 2HG2 THR 66 3.723 -10.907 -7.693
367 2HG2 THR 66 1HG2 THR 66 2.889 -12.283 -6.968
368 3HG2 THR 66 3HG2 THR 66 3.280 -12.297 -8.686
369 H SER 67 H SER 67 0.105 -10.539 -5.839
370 HA SER 67 HA SER 67 1.024 -9.180 -3.558
371 HG SER 67 HG SER 67 -1.677 -12.043 -4.151
372 H VAL 68 H VAL 68 2.005 -12.196 -5.051
373 HA VAL 68 HA VAL 68 3.530 -13.239 -2.925
374 HB VAL 68 HB VAL 68 4.107 -13.630 -5.864
375 1HG1 VAL 68 1HG1 VAL 68 4.853 -15.066 -3.362
376 2HG1 VAL 68 2HG1 VAL 68 4.670 -15.979 -4.861
377 3HG1 VAL 68 3HG1 VAL 68 5.838 -14.661 -4.767
378 1HG2 VAL 68 3HG2 VAL 68 1.668 -14.054 -4.785
379 2HG2 VAL 68 1HG2 VAL 68 2.335 -14.996 -6.117
380 3HG2 VAL 68 2HG2 VAL 68 2.435 -15.611 -4.467
381 H GLU 69 H GLU 69 4.453 -11.236 -5.701
382 HA GLU 69 HA GLU 69 7.188 -10.973 -5.038
383 H LEU 70 H LEU 70 4.309 -9.092 -4.280
384 HA LEU 70 HA LEU 70 5.549 -6.937 -2.972
385 HG LEU 70 HG LEU 70 3.504 -6.254 -0.845
386 1HD1 LEU 70 1HD1 LEU 70 3.967 -4.936 -3.485
387 2HD1 LEU 70 2HD1 LEU 70 3.465 -3.973 -2.095
388 3HD1 LEU 70 3HD1 LEU 70 4.958 -4.909 -2.026
389 1HD2 LEU 70 1HD2 LEU 70 1.184 -6.391 -2.570
390 2HD2 LEU 70 2HD2 LEU 70 1.292 -6.006 -0.854
391 3HD2 LEU 70 3HD2 LEU 70 1.523 -4.738 -2.056
392 H GLY 71 H GLY 71 4.238 -9.992 -1.703
393 1HA GLY 71 2HA GLY 71 4.733 -11.185 0.190
394 2HA GLY 71 1HA GLY 71 4.849 -9.631 1.001
395 H THR 72 H THR 72 6.819 -11.014 -1.597
396 HA THR 72 HA THR 72 9.048 -11.698 -0.028
397 HB THR 72 HB THR 72 8.970 -10.921 -2.952
398 HG1 THR 72 1HG THR 72 8.443 -12.996 -3.339
399 1HG2 THR 72 2HG2 THR 72 11.239 -10.999 -1.757
400 2HG2 THR 72 1HG2 THR 72 10.973 -12.738 -1.635
401 3HG2 THR 72 3HG2 THR 72 11.056 -11.968 -3.219
402 H LEU 73 H LEU 73 8.172 -8.682 -1.669
403 HA LEU 73 HA LEU 73 10.681 -7.423 -1.322
404 HG LEU 73 HG LEU 73 9.641 -4.417 -1.142
405 1HD1 LEU 73 3HD1 LEU 73 11.479 -6.118 -2.170
406 2HD1 LEU 73 1HD1 LEU 73 11.311 -4.976 -3.501
407 3HD1 LEU 73 2HD1 LEU 73 11.763 -4.399 -1.898
408 1HD2 LEU 73 2HD2 LEU 73 8.438 -4.687 -3.803
409 2HD2 LEU 73 3HD2 LEU 73 8.362 -3.356 -2.647
410 3HD2 LEU 73 1HD2 LEU 73 9.765 -3.527 -3.704
411 H LEU 74 H LEU 74 7.657 -7.188 0.551
412 HA LEU 74 HA LEU 74 8.847 -5.362 2.426
413 HG LEU 74 HG LEU 74 6.966 -3.909 2.041
414 1HD1 LEU 74 1HD1 LEU 74 5.704 -6.007 0.354
415 2HD1 LEU 74 2HD1 LEU 74 5.238 -4.321 0.118
416 3HD1 LEU 74 3HD1 LEU 74 6.925 -4.804 -0.058
417 1HD2 LEU 74 1HD2 LEU 74 4.434 -5.106 3.022
418 2HD2 LEU 74 2HD2 LEU 74 5.200 -3.572 3.434
419 3HD2 LEU 74 3HD2 LEU 74 4.339 -3.744 1.905
420 H GLY 75 H GLY 75 8.048 -8.802 2.435
421 1HA GLY 75 2HA GLY 75 9.577 -9.045 4.955
422 2HA GLY 75 1HA GLY 75 9.560 -10.274 3.696
423 H ARG 76 H ARG 76 6.731 -10.026 3.188
424 HA ARG 76 HA ARG 76 5.669 -11.281 5.637
425 HE ARG 76 HE ARG 76 1.519 -12.271 7.173
426 1HH1 ARG 76 2HH1 ARG 76 1.799 -8.787 6.963
427 2HH1 ARG 76 1HH1 ARG 76 0.107 -8.502 7.239
428 1HH2 ARG 76 2HH2 ARG 76 -0.691 -11.906 7.599
429 2HH2 ARG 76 1HH2 ARG 76 -1.311 -10.278 7.618
430 HA PRO 77 HA PRO 77 6.077 -14.656 2.620
431 H HIS 78 H HIS 78 3.550 -13.554 3.160
432 HA HIS 78 HA HIS 78 1.913 -15.964 3.038
433 HD1 HIS 78 1HD HIS 78 0.824 -17.488 4.823
434 HD2 HIS 78 2HD HIS 78 2.717 -14.687 7.255
435 HE1 HIS 78 1HE HIS 78 1.652 -18.769 6.827
436 HE2 HIS 78 2HE HIS 78 2.730 -17.047 8.320
437 H THR 79 H THR 79 2.832 -14.111 1.073
438 HA THR 79 HA THR 79 2.130 -12.799 -0.649
439 HB THR 79 HB THR 79 -0.071 -13.523 -1.641
440 HG1 THR 79 1HG THR 79 -0.543 -14.361 0.795
441 1HG2 THR 79 1HG2 THR 79 2.112 -14.607 -2.141
442 2HG2 THR 79 3HG2 THR 79 1.773 -15.782 -0.872
443 3HG2 THR 79 2HG2 THR 79 0.732 -15.695 -2.291
444 H VAL 80 H VAL 80 2.132 -10.882 0.806
445 HA VAL 80 HA VAL 80 -0.294 -9.960 1.942
446 HB VAL 80 HB VAL 80 1.866 -9.184 2.779
447 1HG1 VAL 80 2HG1 VAL 80 2.247 -8.358 -0.006
448 2HG1 VAL 80 3HG1 VAL 80 2.760 -7.177 1.201
449 3HG1 VAL 80 1HG1 VAL 80 3.428 -8.809 1.225
450 1HG2 VAL 80 3HG2 VAL 80 -0.321 -7.781 2.806
451 2HG2 VAL 80 1HG2 VAL 80 1.200 -7.047 3.313
452 3HG2 VAL 80 2HG2 VAL 80 0.562 -6.726 1.700
453 H SER 81 H SER 81 -1.985 -9.114 0.999
454 HA SER 81 HA SER 81 -1.968 -8.702 -1.832
455 HG SER 81 HG SER 81 -4.263 -7.546 -2.203
456 H ALA 82 H ALA 82 -2.260 -6.650 1.019
457 HA ALA 82 HA ALA 82 -1.827 -4.293 -0.644
458 1HB ALA 82 2HB ALA 82 -4.290 -4.657 -0.510
459 2HB ALA 82 3HB ALA 82 -4.174 -4.452 1.238
460 3HB ALA 82 1HB ALA 82 -3.751 -3.118 0.165
461 H LEU 83 H LEU 83 -0.999 -2.523 0.470
462 HA LEU 83 HA LEU 83 -0.425 -2.914 3.320
463 HG LEU 83 HG LEU 83 1.124 -1.517 0.338
464 1HD1 LEU 83 2HD1 LEU 83 3.273 -0.869 2.317
465 2HD1 LEU 83 3HD1 LEU 83 3.344 -0.271 0.659
466 3HD1 LEU 83 1HD1 LEU 83 1.983 0.161 1.696
467 1HD2 LEU 83 2HD2 LEU 83 3.152 -3.590 0.732
468 2HD2 LEU 83 3HD2 LEU 83 2.303 -3.089 -0.732
469 3HD2 LEU 83 1HD2 LEU 83 3.708 -2.183 -0.173
470 H ALA 84 H ALA 84 -0.490 -1.070 4.517
471 HA ALA 84 HA ALA 84 -1.235 1.361 3.045
472 1HB ALA 84 3HB ALA 84 -2.184 0.149 5.542
473 2HB ALA 84 1HB ALA 84 -1.935 1.894 5.615
474 3HB ALA 84 2HB ALA 84 -3.015 1.206 4.401
475 H VAL 85 H VAL 85 0.268 2.802 2.868
476 HA VAL 85 HA VAL 85 2.502 2.990 4.730
477 HB VAL 85 HB VAL 85 1.883 4.757 2.350
478 1HG1 VAL 85 3HG1 VAL 85 3.604 5.260 4.363
479 2HG1 VAL 85 1HG1 VAL 85 4.648 4.345 3.277
480 3HG1 VAL 85 2HG1 VAL 85 3.847 5.807 2.705
481 1HG2 VAL 85 3HG2 VAL 85 2.173 2.330 1.770
482 2HG2 VAL 85 1HG2 VAL 85 3.341 3.420 1.026
483 3HG2 VAL 85 2HG2 VAL 85 3.810 2.442 2.415
484 H VAL 86 H VAL 86 1.074 3.479 6.513
485 HA VAL 86 HA VAL 86 -0.625 5.734 6.527
486 HB VAL 86 HB VAL 86 0.643 4.445 8.948
487 1HG1 VAL 86 1HG1 VAL 86 -1.080 6.622 8.698
488 2HG1 VAL 86 2HG1 VAL 86 -2.103 5.280 9.210
489 3HG1 VAL 86 3HG1 VAL 86 -0.693 5.732 10.171
490 1HG2 VAL 86 3HG2 VAL 86 -0.673 3.006 7.115
491 2HG2 VAL 86 1HG2 VAL 86 -0.766 2.676 8.846
492 3HG2 VAL 86 2HG2 VAL 86 -2.044 3.597 8.054
493 H ASP 87 H ASP 87 2.633 5.193 7.823
494 HA ASP 87 HA ASP 87 3.050 8.103 7.716
495 HA PRO 88 HA PRO 88 6.147 6.294 4.944
496 H GLY 89 H GLY 89 6.401 9.398 6.653
497 1HA GLY 89 2HA GLY 89 8.952 8.740 7.747
498 2HA GLY 89 1HA GLY 89 8.144 10.297 7.858
499 H GLU 90 H GLU 90 10.860 8.882 6.820
500 HA GLU 90 HA GLU 90 11.707 11.087 5.237
501 H SER 91 H SER 91 10.306 7.987 4.567
502 HA SER 91 HA SER 91 11.035 7.654 1.895
503 HG SER 91 HG SER 91 9.187 5.052 1.489
504 H ARG 92 H ARG 92 10.371 8.479 0.050
505 HA ARG 92 HA ARG 92 8.089 10.344 0.095
506 HE ARG 92 HE ARG 92 8.554 13.245 -1.130
507 1HH1 ARG 92 2HH1 ARG 92 8.276 13.336 2.366
508 2HH1 ARG 92 1HH1 ARG 92 6.875 14.367 2.346
509 1HH2 ARG 92 2HH2 ARG 92 6.725 14.610 -1.145
510 2HH2 ARG 92 1HH2 ARG 92 5.996 15.093 0.358
511 H ILE 93 H ILE 93 7.979 7.438 0.025
512 HA ILE 93 HA ILE 93 7.511 6.426 -2.537
513 HB ILE 93 HB ILE 93 7.753 5.051 -0.474
514 1HG2 ILE 93 1HG2 ILE 93 5.633 6.603 0.465
515 2HG2 ILE 93 2HG2 ILE 93 4.983 4.975 0.276
516 3HG2 ILE 93 3HG2 ILE 93 6.411 5.244 1.276
517 1HD1 ILE 93 2HD1 ILE 93 8.017 4.481 -2.835
518 2HD1 ILE 93 3HD1 ILE 93 7.416 2.824 -2.782
519 3HD1 ILE 93 1HD1 ILE 93 6.612 4.023 -3.796
520 H LEU 94 H LEU 94 5.614 8.453 -0.509
521 HA LEU 94 HA LEU 94 3.078 8.034 -1.656
522 HG LEU 94 HG LEU 94 5.370 9.814 0.458
523 1HD1 LEU 94 3HD1 LEU 94 4.245 11.930 -1.268
524 2HD1 LEU 94 1HD1 LEU 94 5.361 12.445 0.000
525 3HD1 LEU 94 2HD1 LEU 94 5.878 11.261 -1.201
526 1HD2 LEU 94 3HD2 LEU 94 3.494 10.281 2.129
527 2HD2 LEU 94 1HD2 LEU 94 4.949 11.278 2.227
528 3HD2 LEU 94 2HD2 LEU 94 3.489 11.916 1.468
529 H ALA 95 H ALA 95 5.849 9.474 -2.968
530 HA ALA 95 HA ALA 95 4.676 11.469 -4.605
531 1HB ALA 95 1HB ALA 95 6.826 11.836 -5.031
532 2HB ALA 95 2HB ALA 95 7.262 10.317 -4.248
533 3HB ALA 95 3HB ALA 95 6.880 10.345 -5.971
534 H LEU 96 H LEU 96 5.153 8.014 -4.941
535 HA LEU 96 HA LEU 96 4.284 7.859 -7.665
536 HG LEU 96 HG LEU 96 6.712 6.664 -6.129
537 1HD1 LEU 96 2HD1 LEU 96 6.419 4.258 -5.600
538 2HD1 LEU 96 3HD1 LEU 96 6.291 3.933 -7.328
539 3HD1 LEU 96 1HD1 LEU 96 7.788 4.585 -6.663
540 1HD2 LEU 96 2HD2 LEU 96 5.595 6.787 -8.714
541 2HD2 LEU 96 3HD2 LEU 96 7.208 7.284 -8.200
542 3HD2 LEU 96 1HD2 LEU 96 6.935 5.643 -8.787
543 H GLY 97 H GLY 97 2.747 7.787 -4.553
544 1HA GLY 97 2HA GLY 97 0.520 6.662 -4.314
545 2HA GLY 97 1HA GLY 97 0.148 7.353 -5.887
546 H GLY 98 H GLY 98 0.903 9.863 -5.792
547 1HA GLY 98 2HA GLY 98 0.574 11.282 -3.416
548 2HA GLY 98 1HA GLY 98 -1.006 11.183 -4.185
549 H LYS 99 H LYS 99 -0.309 11.300 -6.827
550 HA LYS 99 HA LYS 99 0.167 14.092 -7.193
551 1HZ LYS 99 2HZ LYS 99 4.667 16.518 -8.416
552 2HZ LYS 99 1HZ LYS 99 4.408 15.815 -9.941
553 3HZ LYS 99 3HZ LYS 99 4.514 17.502 -9.791
554 H GLU 100 H GLU 100 -0.966 14.693 -8.926
555 HA GLU 100 HA GLU 100 -1.250 13.112 -11.287
No H/Q in entry = 555
Start of MODEL 2
1 H1 GLY -2 2H GLY -2 9.709 11.064 -5.476
2 H2 GLY -2 1H GLY -2 10.993 11.810 -4.657
3 H3 GLY -2 3H GLY -2 9.639 12.722 -5.123
4 1HA GLY -2 1HA GLY -2 11.568 13.104 -6.575
5 2HA GLY -2 2HA GLY -2 10.168 12.470 -7.430
6 H SER -1 H SER -1 10.242 9.842 -6.786
7 HA SER -1 HA SER -1 12.406 8.868 -8.402
8 HG SER -1 HG SER -1 11.339 7.973 -5.059
9 H VAL 1 H VAL 1 11.862 6.945 -9.370
10 HA VAL 1 HA VAL 1 9.216 5.881 -8.617
11 HB VAL 1 HB VAL 1 10.485 5.476 -11.317
12 1HG1 VAL 1 2HG1 VAL 1 7.975 4.801 -10.057
13 2HG1 VAL 1 3HG1 VAL 1 7.723 5.736 -11.532
14 3HG1 VAL 1 1HG1 VAL 1 8.654 4.240 -11.585
15 1HG2 VAL 1 3HG2 VAL 1 9.768 7.988 -10.271
16 2HG2 VAL 1 1HG2 VAL 1 10.168 7.584 -11.941
17 3HG2 VAL 1 2HG2 VAL 1 8.491 7.529 -11.397
18 H ASP 2 H ASP 2 11.452 5.019 -7.229
19 HA ASP 2 HA ASP 2 12.333 2.509 -8.391
20 H PHE 3 H PHE 3 10.361 3.657 -5.720
21 HA PHE 3 HA PHE 3 8.634 2.762 -4.583
22 HD1 PHE 3 1HD PHE 3 7.897 -1.496 -5.691
23 HD2 PHE 3 2HD PHE 3 6.308 2.241 -4.421
24 HE1 PHE 3 1HE PHE 3 6.205 -2.672 -4.347
25 HE2 PHE 3 2HE PHE 3 4.616 1.071 -3.079
26 HZ PHE 3 HZ PHE 3 4.561 -1.387 -3.040
27 H ALA 4 H ALA 4 11.035 0.233 -5.363
28 HA ALA 4 HA ALA 4 10.566 -1.335 -3.116
29 1HB ALA 4 3HB ALA 4 13.131 -1.019 -4.665
30 2HB ALA 4 1HB ALA 4 12.758 -2.339 -3.556
31 3HB ALA 4 2HB ALA 4 11.815 -2.134 -5.033
32 H PHE 5 H PHE 5 13.077 1.151 -3.571
33 HA PHE 5 HA PHE 5 14.147 0.958 -0.958
34 HD1 PHE 5 1HD PHE 5 16.097 1.718 -0.113
35 HD2 PHE 5 2HD PHE 5 15.019 5.276 -2.180
36 HE1 PHE 5 1HE PHE 5 17.399 3.045 1.499
37 HE2 PHE 5 2HE PHE 5 16.328 6.609 -0.579
38 HZ PHE 5 HZ PHE 5 17.517 5.492 1.266
39 H GLU 6 H GLU 6 11.768 3.122 -2.404
40 HA GLU 6 HA GLU 6 11.296 4.721 -0.157
41 H LEU 7 H LEU 7 9.768 1.726 -1.228
42 HA LEU 7 HA LEU 7 7.708 1.643 0.704
43 HG LEU 7 HG LEU 7 7.654 -1.382 1.181
44 1HD1 LEU 7 3HD1 LEU 7 5.999 0.535 0.752
45 2HD1 LEU 7 1HD1 LEU 7 5.345 -0.505 -0.512
46 3HD1 LEU 7 2HD1 LEU 7 5.350 -1.052 1.164
47 1HD2 LEU 7 3HD2 LEU 7 8.136 -2.606 -1.037
48 2HD2 LEU 7 1HD2 LEU 7 6.812 -3.182 -0.024
49 3HD2 LEU 7 2HD2 LEU 7 6.470 -2.195 -1.445
50 H ARG 8 H ARG 8 10.960 0.207 0.629
51 HA ARG 8 HA ARG 8 10.749 -1.011 3.179
52 HE ARG 8 HE ARG 8 12.449 -4.668 0.610
53 1HH1 ARG 8 2HH1 ARG 8 15.663 -3.585 -0.276
54 2HH1 ARG 8 1HH1 ARG 8 16.031 -5.028 -1.181
55 1HH2 ARG 8 2HH2 ARG 8 12.947 -6.565 -0.539
56 2HH2 ARG 8 1HH2 ARG 8 14.488 -6.728 -1.324
57 H LYS 9 H LYS 9 11.866 2.146 2.109
58 HA LYS 9 HA LYS 9 12.908 3.057 4.580
59 1HZ LYS 9 2HZ LYS 9 15.083 6.561 5.913
60 2HZ LYS 9 1HZ LYS 9 14.899 5.310 7.044
61 3HZ LYS 9 3HZ LYS 9 16.333 5.434 6.143
62 H ALA 10 H ALA 10 9.683 3.192 3.147
63 HA ALA 10 HA ALA 10 8.425 4.671 5.176
64 1HB ALA 10 2HB ALA 10 6.650 2.751 3.960
65 2HB ALA 10 3HB ALA 10 6.674 4.508 3.814
66 3HB ALA 10 1HB ALA 10 7.677 3.521 2.751
67 H GLN 11 H GLN 11 8.846 1.191 4.719
68 HA GLN 11 HA GLN 11 7.269 0.435 6.950
69 1HE2 GLN 11 1HE2 GLN 11 6.599 -4.105 6.515
70 2HE2 GLN 11 2HE2 GLN 11 7.593 -5.256 5.687
71 H ASP 12 H ASP 12 10.780 0.688 6.489
72 HA ASP 12 HA ASP 12 11.378 -0.294 9.075
73 H THR 13 H THR 13 11.560 2.998 7.721
74 HA THR 13 HA THR 13 12.247 4.076 10.311
75 HB THR 13 HB THR 13 11.650 5.521 7.721
76 HG1 THR 13 1HG THR 13 13.960 4.338 8.836
77 1HG2 THR 13 2HG2 THR 13 11.941 6.519 10.340
78 2HG2 THR 13 1HG2 THR 13 13.449 6.877 9.500
79 3HG2 THR 13 3HG2 THR 13 11.915 7.435 8.834
80 H GLY 14 H GLY 14 9.458 4.242 8.118
81 1HA GLY 14 2HA GLY 14 7.396 5.313 8.503
82 2HA GLY 14 1HA GLY 14 7.914 5.675 10.144
83 H LYS 15 H LYS 15 5.791 3.939 8.417
84 HA LYS 15 HA LYS 15 5.906 1.412 9.697
85 1HZ LYS 15 1HZ LYS 15 4.323 -0.422 13.473
86 2HZ LYS 15 3HZ LYS 15 5.723 0.517 13.283
87 3HZ LYS 15 2HZ LYS 15 5.078 0.260 14.831
88 H ILE 16 H ILE 16 4.764 -0.043 8.580
89 HA ILE 16 HA ILE 16 2.682 0.927 6.730
90 HB ILE 16 HB ILE 16 4.811 -1.142 6.156
91 1HG2 ILE 16 2HG2 ILE 16 2.267 -1.410 5.348
92 2HG2 ILE 16 3HG2 ILE 16 2.888 -0.391 4.049
93 3HG2 ILE 16 1HG2 ILE 16 3.648 -1.944 4.393
94 1HD1 ILE 16 2HD1 ILE 16 6.149 -0.631 4.130
95 2HD1 ILE 16 3HD1 ILE 16 4.972 0.162 3.083
96 3HD1 ILE 16 1HD1 ILE 16 6.373 1.055 3.674
97 H VAL 17 H VAL 17 0.789 0.005 7.192
98 HA VAL 17 HA VAL 17 0.708 -2.399 8.830
99 HB VAL 17 HB VAL 17 -1.568 -0.730 7.739
100 1HG1 VAL 17 1HG1 VAL 17 -1.481 -3.041 9.659
101 2HG1 VAL 17 2HG1 VAL 17 -2.820 -1.892 9.629
102 3HG1 VAL 17 3HG1 VAL 17 -2.453 -2.855 8.199
103 1HG2 VAL 17 3HG2 VAL 17 0.266 -0.122 9.770
104 2HG2 VAL 17 1HG2 VAL 17 -1.249 0.704 9.405
105 3HG2 VAL 17 2HG2 VAL 17 -1.221 -0.604 10.588
106 H MET 18 H MET 18 1.053 -4.234 7.743
107 HA MET 18 HA MET 18 0.156 -4.541 5.006
108 1HE MET 18 3HE MET 18 4.142 -5.858 6.636
109 2HE MET 18 1HE MET 18 5.293 -7.105 7.110
110 3HE MET 18 2HE MET 18 4.651 -7.079 5.469
111 H GLY 19 H GLY 19 -1.660 -5.518 4.368
112 1HA GLY 19 2HA GLY 19 -3.453 -6.525 6.445
113 2HA GLY 19 1HA GLY 19 -3.052 -7.628 5.135
114 H ALA 20 H ALA 20 -4.741 -7.751 3.813
115 HA ALA 20 HA ALA 20 -5.557 -5.524 2.282
116 1HB ALA 20 3HB ALA 20 -5.679 -8.140 1.856
117 2HB ALA 20 1HB ALA 20 -7.326 -7.899 2.439
118 3HB ALA 20 2HB ALA 20 -6.749 -7.006 1.033
119 H ARG 21 H ARG 21 -7.387 -7.436 4.677
120 HA ARG 21 HA ARG 21 -9.591 -5.655 4.766
121 HE ARG 21 HE ARG 21 -11.428 -9.834 6.327
122 1HH1 ARG 21 2HH1 ARG 21 -13.389 -6.951 6.790
123 2HH1 ARG 21 1HH1 ARG 21 -14.454 -7.323 5.465
124 1HH2 ARG 21 2HH2 ARG 21 -12.838 -10.307 4.605
125 2HH2 ARG 21 1HH2 ARG 21 -14.110 -9.199 4.198
126 H LYS 22 H LYS 22 -6.610 -5.910 6.576
127 HA LYS 22 HA LYS 22 -7.215 -4.072 8.628
128 1HZ LYS 22 1HZ LYS 22 -4.139 -6.711 11.965
129 2HZ LYS 22 3HZ LYS 22 -3.336 -5.312 12.490
130 3HZ LYS 22 2HZ LYS 22 -4.828 -5.185 11.693
131 H SER 23 H SER 23 -5.876 -3.679 5.386
132 HA SER 23 HA SER 23 -5.288 -0.920 5.578
133 HG SER 23 HG SER 23 -4.108 -0.670 2.757
134 H ILE 24 H ILE 24 -8.164 -2.705 4.506
135 HA ILE 24 HA ILE 24 -9.708 -0.517 3.649
136 HB ILE 24 HB ILE 24 -10.766 -3.018 4.985
137 1HG2 ILE 24 1HG2 ILE 24 -11.985 -0.840 3.352
138 2HG2 ILE 24 2HG2 ILE 24 -12.644 -2.472 3.241
139 3HG2 ILE 24 3HG2 ILE 24 -12.599 -1.643 4.796
140 1HD1 ILE 24 1HD1 ILE 24 -11.292 -4.920 3.510
141 2HD1 ILE 24 2HD1 ILE 24 -12.016 -4.039 2.163
142 3HD1 ILE 24 3HD1 ILE 24 -10.571 -5.016 1.903
143 H GLN 25 H GLN 25 -9.311 -2.012 6.815
144 HA GLN 25 HA GLN 25 -11.214 -0.524 8.232
145 1HE2 GLN 25 1HE2 GLN 25 -9.443 -3.518 10.334
146 2HE2 GLN 25 2HE2 GLN 25 -9.154 -4.050 11.952
147 H TYR 26 H TYR 26 -7.760 0.081 7.682
148 HA TYR 26 HA TYR 26 -7.685 2.519 9.127
149 HD1 TYR 26 1HD TYR 26 -6.659 0.103 9.820
150 HD2 TYR 26 2HD TYR 26 -3.719 3.009 8.821
151 HE1 TYR 26 1HE TYR 26 -5.440 -0.425 11.887
152 HE2 TYR 26 2HE TYR 26 -2.492 2.487 10.884
153 HH TYR 26 HH TYR 26 -3.176 1.506 13.225
154 H ALA 27 H ALA 27 -8.368 1.717 5.770
155 HA ALA 27 HA ALA 27 -8.326 4.339 4.731
156 1HB ALA 27 1HB ALA 27 -8.619 1.871 3.648
157 2HB ALA 27 2HB ALA 27 -10.263 2.495 3.517
158 3HB ALA 27 3HB ALA 27 -8.923 3.380 2.788
159 H LYS 28 H LYS 28 -10.990 2.377 6.042
160 HA LYS 28 HA LYS 28 -13.004 4.308 5.592
161 1HZ LYS 28 2HZ LYS 28 -15.578 1.256 8.301
162 2HZ LYS 28 1HZ LYS 28 -15.514 -0.250 9.071
163 3HZ LYS 28 3HZ LYS 28 -14.109 0.691 8.938
164 H MET 29 H MET 29 -10.968 3.598 8.388
165 HA MET 29 HA MET 29 -12.169 5.498 10.123
166 1HE MET 29 3HE MET 29 -11.865 0.940 12.489
167 2HE MET 29 1HE MET 29 -10.686 0.518 13.731
168 3HE MET 29 2HE MET 29 -11.790 1.871 13.982
169 H GLY 30 H GLY 30 -9.475 5.627 7.869
170 1HA GLY 30 2HA GLY 30 -9.468 8.547 8.088
171 2HA GLY 30 1HA GLY 30 -8.652 7.593 6.853
172 H GLY 31 H GLY 31 -7.241 5.808 8.365
173 1HA GLY 31 2HA GLY 31 -5.796 5.995 10.428
174 2HA GLY 31 1HA GLY 31 -5.369 7.584 9.805
175 H ALA 32 H ALA 32 -5.266 6.808 7.064
176 HA ALA 32 HA ALA 32 -2.659 5.494 7.090
177 1HB ALA 32 2HB ALA 32 -5.047 4.564 5.518
178 2HB ALA 32 3HB ALA 32 -3.400 4.246 4.972
179 3HB ALA 32 1HB ALA 32 -3.949 3.620 6.527
180 H LYS 33 H LYS 33 -1.255 6.450 5.703
181 HA LYS 33 HA LYS 33 -2.256 8.809 4.346
182 1HZ LYS 33 3HZ LYS 33 -2.515 12.617 5.437
183 2HZ LYS 33 2HZ LYS 33 -1.190 13.656 5.209
184 3HZ LYS 33 1HZ LYS 33 -1.923 12.913 3.873
185 H LEU 34 H LEU 34 -0.522 5.824 3.507
186 HA LEU 34 HA LEU 34 -1.269 6.344 0.704
187 HG LEU 34 HG LEU 34 2.135 6.376 -0.709
188 1HD1 LEU 34 1HD1 LEU 34 1.359 3.964 -0.629
189 2HD1 LEU 34 2HD1 LEU 34 -0.153 4.543 -1.330
190 3HD1 LEU 34 3HD1 LEU 34 1.362 4.755 -2.204
191 1HD2 LEU 34 3HD2 LEU 34 -0.807 6.954 -0.943
192 2HD2 LEU 34 1HD2 LEU 34 0.513 8.118 -0.847
193 3HD2 LEU 34 2HD2 LEU 34 0.341 7.096 -2.275
194 H ILE 35 H ILE 35 -2.414 4.655 -0.020
195 HA ILE 35 HA ILE 35 -1.955 2.038 1.245
196 HB ILE 35 HB ILE 35 -4.319 3.033 -0.356
197 1HG2 ILE 35 1HG2 ILE 35 -3.448 0.435 -0.259
198 2HG2 ILE 35 2HG2 ILE 35 -4.615 0.500 1.064
199 3HG2 ILE 35 3HG2 ILE 35 -5.106 0.948 -0.569
200 1HD1 ILE 35 2HD1 ILE 35 -6.338 2.213 1.043
201 2HD1 ILE 35 3HD1 ILE 35 -6.180 2.171 2.800
202 3HD1 ILE 35 1HD1 ILE 35 -6.396 3.711 1.971
203 H ILE 36 H ILE 36 -1.171 0.367 0.127
204 HA ILE 36 HA ILE 36 -0.795 0.710 -2.780
205 HB ILE 36 HB ILE 36 1.072 -0.694 -0.857
206 1HG2 ILE 36 3HG2 ILE 36 1.042 -0.405 -3.839
207 2HG2 ILE 36 1HG2 ILE 36 2.563 -0.609 -2.969
208 3HG2 ILE 36 2HG2 ILE 36 1.312 -1.848 -2.861
209 1HD1 ILE 36 1HD1 ILE 36 3.155 0.576 -0.286
210 2HD1 ILE 36 2HD1 ILE 36 3.582 0.775 -1.987
211 3HD1 ILE 36 3HD1 ILE 36 3.412 2.191 -0.950
212 H VAL 37 H VAL 37 -1.547 -0.888 -4.041
213 HA VAL 37 HA VAL 37 -2.329 -3.412 -2.731
214 HB VAL 37 HB VAL 37 -4.239 -3.536 -4.348
215 1HG1 VAL 37 1HG1 VAL 37 -4.059 -2.205 -1.923
216 2HG1 VAL 37 2HG1 VAL 37 -4.950 -1.095 -2.964
217 3HG1 VAL 37 3HG1 VAL 37 -5.536 -2.742 -2.724
218 1HG2 VAL 37 2HG2 VAL 37 -3.176 -1.767 -5.878
219 2HG2 VAL 37 3HG2 VAL 37 -4.923 -1.717 -5.642
220 3HG2 VAL 37 1HG2 VAL 37 -3.884 -0.589 -4.772
221 H ALA 38 H ALA 38 -1.745 -5.260 -3.713
222 HA ALA 38 HA ALA 38 0.108 -5.215 -5.902
223 1HB ALA 38 3HB ALA 38 0.628 -7.069 -4.770
224 2HB ALA 38 1HB ALA 38 -0.974 -7.187 -4.043
225 3HB ALA 38 2HB ALA 38 -0.690 -7.826 -5.662
226 H ARG 39 H ARG 39 -0.257 -5.562 -8.052
227 HA ARG 39 HA ARG 39 -2.856 -5.255 -9.096
228 HE ARG 39 HE ARG 39 -1.236 -1.943 -11.989
229 1HH1 ARG 39 2HH1 ARG 39 0.604 -3.822 -14.298
230 2HH1 ARG 39 1HH1 ARG 39 0.881 -2.483 -15.371
231 1HH2 ARG 39 2HH2 ARG 39 -0.864 -0.167 -13.387
232 2HH2 ARG 39 1HH2 ARG 39 0.041 -0.395 -14.854
233 H ASN 40 H ASN 40 -0.894 -8.090 -8.469
234 HA ASN 40 HA ASN 40 -2.892 -9.844 -9.635
235 1HD2 ASN 40 1HD2 ASN 40 -1.025 -12.196 -11.007
236 2HD2 ASN 40 2HD2 ASN 40 -0.091 -11.296 -12.155
237 H ALA 41 H ALA 41 -3.655 -8.252 -7.349
238 HA ALA 41 HA ALA 41 -4.101 -10.310 -5.300
239 1HB ALA 41 2HB ALA 41 -4.088 -7.349 -5.265
240 2HB ALA 41 3HB ALA 41 -5.280 -8.149 -4.238
241 3HB ALA 41 1HB ALA 41 -3.564 -8.502 -4.037
242 H ARG 42 H ARG 42 -6.443 -10.133 -4.360
243 HA ARG 42 HA ARG 42 -8.214 -10.886 -6.429
244 HE ARG 42 HE ARG 42 -7.643 -14.206 -2.701
245 1HH1 ARG 42 2HH1 ARG 42 -10.758 -13.638 -1.199
246 2HH1 ARG 42 1HH1 ARG 42 -10.638 -15.014 -0.139
247 1HH2 ARG 42 2HH2 ARG 42 -7.441 -15.965 -1.263
248 2HH2 ARG 42 1HH2 ARG 42 -8.732 -16.319 -0.146
249 HA PRO 43 HA PRO 43 -9.309 -6.937 -8.033
250 H ASP 44 H ASP 44 -11.839 -8.833 -6.398
251 HA ASP 44 HA ASP 44 -13.620 -6.720 -5.887
252 H ILE 45 H ILE 45 -10.893 -7.985 -4.066
253 HA ILE 45 HA ILE 45 -11.134 -6.326 -1.789
254 HB ILE 45 HB ILE 45 -8.720 -7.689 -2.979
255 1HG2 ILE 45 3HG2 ILE 45 -8.718 -5.662 -1.067
256 2HG2 ILE 45 1HG2 ILE 45 -8.533 -7.159 -0.153
257 3HG2 ILE 45 2HG2 ILE 45 -7.401 -6.772 -1.449
258 1HD1 ILE 45 2HD1 ILE 45 -10.698 -7.457 0.033
259 2HD1 ILE 45 3HD1 ILE 45 -11.876 -8.541 -0.709
260 3HD1 ILE 45 1HD1 ILE 45 -10.681 -9.178 0.422
261 H LYS 46 H LYS 46 -9.196 -6.016 -4.761
262 HA LYS 46 HA LYS 46 -7.967 -3.577 -4.119
263 1HZ LYS 46 1HZ LYS 46 -6.956 -3.483 -8.833
264 2HZ LYS 46 3HZ LYS 46 -6.388 -2.357 -7.699
265 3HZ LYS 46 2HZ LYS 46 -5.557 -2.588 -9.161
266 H GLU 47 H GLU 47 -10.938 -4.214 -5.973
267 HA GLU 47 HA GLU 47 -11.587 -1.552 -6.525
268 H ASP 48 H ASP 48 -12.362 -3.559 -3.723
269 HA ASP 48 HA ASP 48 -14.167 -1.744 -2.525
270 H ILE 49 H ILE 49 -10.728 -2.372 -1.908
271 HA ILE 49 HA ILE 49 -10.388 -0.377 0.040
272 HB ILE 49 HB ILE 49 -8.299 -1.518 -1.823
273 1HG2 ILE 49 2HG2 ILE 49 -8.140 0.160 0.651
274 2HG2 ILE 49 3HG2 ILE 49 -6.833 -0.950 0.231
275 3HG2 ILE 49 1HG2 ILE 49 -7.284 0.342 -0.882
276 1HD1 ILE 49 1HD1 ILE 49 -6.677 -2.765 -0.284
277 2HD1 ILE 49 2HD1 ILE 49 -7.320 -3.613 1.125
278 3HD1 ILE 49 3HD1 ILE 49 -7.555 -4.282 -0.490
279 H GLU 50 H GLU 50 -9.579 -0.319 -3.439
280 HA GLU 50 HA GLU 50 -8.517 2.252 -3.506
281 H TYR 51 H TYR 51 -11.875 1.215 -4.035
282 HA TYR 51 HA TYR 51 -12.888 3.763 -4.672
283 HD1 TYR 51 1HD TYR 51 -16.512 1.597 -2.840
284 HD2 TYR 51 2HD TYR 51 -14.823 4.477 -5.471
285 HE1 TYR 51 1HE TYR 51 -18.615 2.868 -2.787
286 HE2 TYR 51 2HE TYR 51 -16.921 5.752 -5.432
287 HH TYR 51 HH TYR 51 -19.521 5.019 -4.923
288 H TYR 52 H TYR 52 -12.864 1.983 -1.580
289 HA TYR 52 HA TYR 52 -14.137 4.024 -0.120
290 HD1 TYR 52 1HD TYR 52 -14.597 2.042 3.224
291 HD2 TYR 52 2HD TYR 52 -15.039 1.486 -0.964
292 HE1 TYR 52 1HE TYR 52 -16.867 1.180 3.589
293 HE2 TYR 52 2HE TYR 52 -17.316 0.621 -0.613
294 HH TYR 52 HH TYR 52 -18.600 -0.493 1.271
295 H ALA 53 H ALA 53 -10.699 3.324 -0.624
296 HA ALA 53 HA ALA 53 -9.710 5.272 1.166
297 1HB ALA 53 2HB ALA 53 -7.976 3.952 0.588
298 2HB ALA 53 1HB ALA 53 -7.754 5.146 -0.690
299 3HB ALA 53 3HB ALA 53 -8.612 3.643 -1.026
300 H ARG 54 H ARG 54 -10.560 5.378 -2.258
301 HA ARG 54 HA ARG 54 -9.721 8.000 -2.806
302 HE ARG 54 HE ARG 54 -10.880 9.784 -7.455
303 1HH1 ARG 54 2HH1 ARG 54 -8.817 10.117 -4.633
304 2HH1 ARG 54 1HH1 ARG 54 -7.534 10.883 -5.522
305 1HH2 ARG 54 2HH2 ARG 54 -9.192 10.773 -8.603
306 2HH2 ARG 54 1HH2 ARG 54 -7.727 11.219 -7.779
307 H LEU 55 H LEU 55 -12.719 6.726 -1.451
308 HA LEU 55 HA LEU 55 -14.232 9.106 -1.476
309 HG LEU 55 HG LEU 55 -14.729 6.034 -1.808
310 1HD1 LEU 55 1HD1 LEU 55 -16.848 6.014 0.280
311 2HD1 LEU 55 2HD1 LEU 55 -17.198 5.289 -1.291
312 3HD1 LEU 55 3HD1 LEU 55 -15.844 4.695 -0.328
313 1HD2 LEU 55 3HD2 LEU 55 -16.832 8.177 -1.757
314 2HD2 LEU 55 1HD2 LEU 55 -15.569 7.899 -2.957
315 3HD2 LEU 55 2HD2 LEU 55 -16.935 6.789 -2.843
316 H SER 56 H SER 56 -12.182 7.666 1.035
317 HA SER 56 HA SER 56 -12.488 9.779 2.902
318 HG SER 56 HG SER 56 -11.415 6.546 4.093
319 H GLY 57 H GLY 57 -10.317 9.213 0.232
320 1HA GLY 57 2HA GLY 57 -9.212 11.915 0.606
321 2HA GLY 57 1HA GLY 57 -9.276 11.041 -0.919
322 H ILE 58 H ILE 58 -8.361 8.553 0.242
323 HA ILE 58 HA ILE 58 -5.598 9.205 1.007
324 HB ILE 58 HB ILE 58 -7.002 6.525 1.092
325 1HG2 ILE 58 2HG2 ILE 58 -4.263 7.252 1.289
326 2HG2 ILE 58 3HG2 ILE 58 -4.802 6.689 2.871
327 3HG2 ILE 58 1HG2 ILE 58 -4.995 5.654 1.454
328 1HD1 ILE 58 3HD1 ILE 58 -6.334 6.079 4.054
329 2HD1 ILE 58 1HD1 ILE 58 -7.684 6.965 4.764
330 3HD1 ILE 58 2HD1 ILE 58 -7.963 5.871 3.408
331 HA PRO 59 HA PRO 59 -4.521 8.277 -3.239
332 H VAL 60 H VAL 60 -4.256 6.400 -4.278
333 HA VAL 60 HA VAL 60 -3.209 4.108 -2.746
334 HB VAL 60 HB VAL 60 -5.266 4.022 -4.963
335 1HG1 VAL 60 2HG1 VAL 60 -4.151 1.909 -3.135
336 2HG1 VAL 60 3HG1 VAL 60 -5.617 1.696 -4.089
337 3HG1 VAL 60 1HG1 VAL 60 -4.073 1.970 -4.894
338 1HG2 VAL 60 1HG2 VAL 60 -5.847 5.055 -2.605
339 2HG2 VAL 60 2HG2 VAL 60 -6.968 3.978 -3.440
340 3HG2 VAL 60 3HG2 VAL 60 -5.945 3.355 -2.147
341 H TYR 61 H TYR 61 -1.426 3.216 -3.539
342 HA TYR 61 HA TYR 61 -0.719 3.723 -6.347
343 HD1 TYR 61 1HD TYR 61 1.378 4.439 -7.393
344 HD2 TYR 61 2HD TYR 61 2.680 1.294 -4.845
345 HE1 TYR 61 1HE TYR 61 3.008 3.747 -9.094
346 HE2 TYR 61 2HE TYR 61 4.319 0.593 -6.542
347 HH TYR 61 HH TYR 61 4.204 1.598 -9.718
348 H GLU 62 H GLU 62 -0.747 2.087 -7.768
349 HA GLU 62 HA GLU 62 -1.471 -0.552 -6.745
350 H PHE 63 H PHE 63 0.009 -2.029 -6.480
351 HA PHE 63 HA PHE 63 2.716 -1.669 -7.373
352 HD1 PHE 63 1HD PHE 63 4.640 -2.413 -6.765
353 HD2 PHE 63 2HD PHE 63 2.530 -5.870 -5.464
354 HE1 PHE 63 1HE PHE 63 6.729 -3.710 -6.824
355 HE2 PHE 63 2HE PHE 63 4.615 -7.168 -5.521
356 HZ PHE 63 HZ PHE 63 6.715 -6.081 -6.188
357 H GLU 64 H GLU 64 3.523 -2.346 -9.244
358 HA GLU 64 HA GLU 64 1.981 -4.000 -11.030
359 H GLY 65 H GLY 65 2.092 -5.622 -9.079
360 1HA GLY 65 2HA GLY 65 4.358 -7.079 -8.490
361 2HA GLY 65 1HA GLY 65 3.678 -7.824 -9.931
362 H THR 66 H THR 66 3.497 -9.661 -8.467
363 HA THR 66 HA THR 66 0.833 -9.845 -7.422
364 HB THR 66 HB THR 66 1.815 -11.729 -8.665
365 HG1 THR 66 1HG THR 66 0.657 -13.048 -7.464
366 1HG2 THR 66 3HG2 THR 66 4.104 -11.254 -7.256
367 2HG2 THR 66 2HG2 THR 66 3.465 -12.678 -6.434
368 3HG2 THR 66 1HG2 THR 66 3.770 -12.725 -8.171
369 H SER 67 H SER 67 0.435 -10.833 -5.274
370 HA SER 67 HA SER 67 1.409 -9.215 -3.217
371 HG SER 67 HG SER 67 -1.151 -9.387 -2.953
372 H VAL 68 H VAL 68 2.453 -12.356 -4.386
373 HA VAL 68 HA VAL 68 4.147 -13.110 -2.272
374 HB VAL 68 HB VAL 68 4.701 -13.654 -5.192
375 1HG1 VAL 68 3HG1 VAL 68 6.177 -14.309 -3.023
376 2HG1 VAL 68 1HG1 VAL 68 5.125 -15.720 -3.145
377 3HG1 VAL 68 2HG1 VAL 68 6.133 -15.250 -4.515
378 1HG2 VAL 68 1HG2 VAL 68 2.355 -14.308 -3.763
379 2HG2 VAL 68 2HG2 VAL 68 2.842 -14.845 -5.372
380 3HG2 VAL 68 3HG2 VAL 68 3.286 -15.794 -3.953
381 H GLU 69 H GLU 69 4.785 -11.234 -5.206
382 HA GLU 69 HA GLU 69 7.525 -10.757 -4.716
383 H LEU 70 H LEU 70 4.597 -8.917 -3.983
384 HA LEU 70 HA LEU 70 5.853 -6.614 -2.986
385 HG LEU 70 HG LEU 70 3.940 -5.824 -0.762
386 1HD1 LEU 70 1HD1 LEU 70 5.224 -4.828 -2.735
387 2HD1 LEU 70 2HD1 LEU 70 3.666 -4.176 -3.241
388 3HD1 LEU 70 3HD1 LEU 70 4.345 -3.722 -1.678
389 1HD2 LEU 70 3HD2 LEU 70 1.497 -6.336 -1.863
390 2HD2 LEU 70 1HD2 LEU 70 1.816 -5.121 -0.625
391 3HD2 LEU 70 2HD2 LEU 70 1.764 -4.655 -2.325
392 H GLY 71 H GLY 71 4.756 -9.552 -1.318
393 1HA GLY 71 2HA GLY 71 5.294 -10.421 0.739
394 2HA GLY 71 1HA GLY 71 5.498 -8.763 1.291
395 H THR 72 H THR 72 7.251 -10.643 -1.161
396 HA THR 72 HA THR 72 9.568 -11.109 0.358
397 HB THR 72 HB THR 72 9.366 -10.816 -2.649
398 HG1 THR 72 1HG THR 72 8.086 -12.503 -2.341
399 1HG2 THR 72 3HG2 THR 72 11.529 -11.595 -0.827
400 2HG2 THR 72 2HG2 THR 72 11.231 -12.745 -2.130
401 3HG2 THR 72 1HG2 THR 72 11.600 -11.062 -2.507
402 H LEU 73 H LEU 73 8.579 -8.393 -1.644
403 HA LEU 73 HA LEU 73 11.061 -7.020 -1.631
404 HG LEU 73 HG LEU 73 9.918 -4.107 -1.630
405 1HD1 LEU 73 2HD1 LEU 73 11.354 -5.621 -3.774
406 2HD1 LEU 73 3HD1 LEU 73 11.594 -3.885 -3.566
407 3HD1 LEU 73 1HD1 LEU 73 11.974 -4.992 -2.246
408 1HD2 LEU 73 3HD2 LEU 73 8.013 -4.253 -3.505
409 2HD2 LEU 73 1HD2 LEU 73 9.049 -2.841 -3.292
410 3HD2 LEU 73 2HD2 LEU 73 9.423 -4.029 -4.542
411 H LEU 74 H LEU 74 8.197 -6.910 0.445
412 HA LEU 74 HA LEU 74 9.039 -4.834 2.168
413 HG LEU 74 HG LEU 74 6.396 -5.458 1.040
414 1HD1 LEU 74 1HD1 LEU 74 5.035 -6.270 3.572
415 2HD1 LEU 74 2HD1 LEU 74 4.213 -5.211 2.426
416 3HD1 LEU 74 3HD1 LEU 74 4.748 -6.813 1.919
417 1HD2 LEU 74 3HD2 LEU 74 7.370 -3.520 2.213
418 2HD2 LEU 74 1HD2 LEU 74 5.628 -3.363 1.977
419 3HD2 LEU 74 2HD2 LEU 74 6.268 -3.804 3.560
420 H GLY 75 H GLY 75 9.217 -8.366 2.524
421 1HA GLY 75 2HA GLY 75 11.171 -8.022 4.689
422 2HA GLY 75 1HA GLY 75 11.641 -8.960 3.276
423 H ARG 76 H ARG 76 8.609 -8.752 5.091
424 HA ARG 76 HA ARG 76 8.826 -11.339 6.274
425 HE ARG 76 HE ARG 76 5.186 -12.221 9.394
426 1HH1 ARG 76 2HH1 ARG 76 3.115 -9.449 8.853
427 2HH1 ARG 76 1HH1 ARG 76 1.969 -9.901 10.083
428 1HH2 ARG 76 2HH2 ARG 76 3.694 -12.825 11.008
429 2HH2 ARG 76 1HH2 ARG 76 2.291 -11.832 11.301
430 HA PRO 77 HA PRO 77 7.833 -13.505 2.520
431 H HIS 78 H HIS 78 5.649 -12.239 3.740
432 HA HIS 78 HA HIS 78 3.545 -14.289 3.536
433 HD1 HIS 78 1HD HIS 78 1.625 -12.471 7.109
434 HD2 HIS 78 2HD HIS 78 4.837 -14.771 5.793
435 HE1 HIS 78 1HE HIS 78 2.155 -14.053 8.997
436 HE2 HIS 78 2HE HIS 78 4.035 -15.502 8.146
437 H THR 79 H THR 79 1.918 -14.040 2.066
438 HA THR 79 HA THR 79 2.538 -12.416 -0.223
439 HB THR 79 HB THR 79 0.333 -13.394 -1.075
440 HG1 THR 79 1HG THR 79 0.419 -15.472 0.691
441 1HG2 THR 79 2HG2 THR 79 2.752 -14.286 -1.381
442 2HG2 THR 79 1HG2 THR 79 2.246 -15.546 -0.257
443 3HG2 THR 79 3HG2 THR 79 1.394 -15.336 -1.786
444 H VAL 80 H VAL 80 2.394 -10.336 0.845
445 HA VAL 80 HA VAL 80 -0.024 -9.442 2.026
446 HB VAL 80 HB VAL 80 2.280 -7.820 0.930
447 1HG1 VAL 80 2HG1 VAL 80 -0.039 -6.708 1.380
448 2HG1 VAL 80 3HG1 VAL 80 0.429 -6.871 3.073
449 3HG1 VAL 80 1HG1 VAL 80 1.436 -5.939 1.966
450 1HG2 VAL 80 1HG2 VAL 80 2.878 -9.456 2.697
451 2HG2 VAL 80 2HG2 VAL 80 3.123 -7.778 3.180
452 3HG2 VAL 80 3HG2 VAL 80 1.717 -8.669 3.765
453 H SER 81 H SER 81 -1.848 -9.012 1.030
454 HA SER 81 HA SER 81 -1.974 -8.703 -1.822
455 HG SER 81 HG SER 81 -3.632 -10.842 -0.958
456 H ALA 82 H ALA 82 -2.433 -6.675 0.991
457 HA ALA 82 HA ALA 82 -2.048 -4.275 -0.567
458 1HB ALA 82 1HB ALA 82 -4.530 -4.823 -0.670
459 2HB ALA 82 2HB ALA 82 -4.568 -4.503 1.065
460 3HB ALA 82 3HB ALA 82 -4.107 -3.223 -0.057
461 H LEU 83 H LEU 83 -1.488 -2.492 0.744
462 HA LEU 83 HA LEU 83 -1.322 -2.919 3.619
463 HG LEU 83 HG LEU 83 0.838 -2.649 0.657
464 1HD1 LEU 83 1HD1 LEU 83 1.081 -0.419 1.902
465 2HD1 LEU 83 2HD1 LEU 83 2.750 -0.919 2.185
466 3HD1 LEU 83 3HD1 LEU 83 2.153 -0.729 0.536
467 1HD2 LEU 83 2HD2 LEU 83 2.517 -4.288 2.004
468 2HD2 LEU 83 3HD2 LEU 83 2.815 -3.676 0.376
469 3HD2 LEU 83 1HD2 LEU 83 3.546 -2.875 1.766
470 H ALA 84 H ALA 84 -1.011 -1.029 4.822
471 HA ALA 84 HA ALA 84 -1.389 1.442 3.259
472 1HB ALA 84 3HB ALA 84 -2.474 1.077 6.029
473 2HB ALA 84 2HB ALA 84 -3.371 0.516 4.617
474 3HB ALA 84 1HB ALA 84 -2.967 2.224 4.785
475 H VAL 85 H VAL 85 0.277 2.748 3.417
476 HA VAL 85 HA VAL 85 2.187 2.576 5.578
477 HB VAL 85 HB VAL 85 2.067 4.662 3.394
478 1HG1 VAL 85 2HG1 VAL 85 3.615 4.598 5.624
479 2HG1 VAL 85 3HG1 VAL 85 4.648 3.766 4.461
480 3HG1 VAL 85 1HG1 VAL 85 4.060 5.393 4.114
481 1HG2 VAL 85 2HG2 VAL 85 2.342 1.949 2.967
482 2HG2 VAL 85 3HG2 VAL 85 2.859 3.233 1.874
483 3HG2 VAL 85 1HG2 VAL 85 4.006 2.529 3.013
484 H VAL 86 H VAL 86 1.990 3.623 7.414
485 HA VAL 86 HA VAL 86 -0.072 5.658 7.692
486 HB VAL 86 HB VAL 86 1.612 4.388 9.857
487 1HG1 VAL 86 2HG1 VAL 86 0.446 6.578 10.338
488 2HG1 VAL 86 3HG1 VAL 86 -1.077 5.713 10.128
489 3HG1 VAL 86 1HG1 VAL 86 0.040 5.236 11.407
490 1HG2 VAL 86 1HG2 VAL 86 0.220 2.792 8.461
491 2HG2 VAL 86 2HG2 VAL 86 -0.078 2.781 10.199
492 3HG2 VAL 86 3HG2 VAL 86 -1.197 3.610 9.115
493 H ASP 87 H ASP 87 3.408 5.285 8.299
494 HA ASP 87 HA ASP 87 3.575 8.209 8.647
495 HA PRO 88 HA PRO 88 6.306 7.306 5.058
496 H GLY 89 H GLY 89 6.831 9.209 7.033
497 1HA GLY 89 2HA GLY 89 7.816 11.245 7.418
498 2HA GLY 89 1HA GLY 89 6.809 11.873 6.123
499 H GLU 90 H GLU 90 9.492 9.528 6.198
500 HA GLU 90 HA GLU 90 11.140 11.355 4.647
501 H SER 91 H SER 91 9.561 8.229 4.303
502 HA SER 91 HA SER 91 10.639 7.569 1.780
503 HG SER 91 HG SER 91 7.546 7.689 3.204
504 H ARG 92 H ARG 92 10.117 8.198 -0.229
505 HA ARG 92 HA ARG 92 8.082 10.249 -0.546
506 HE ARG 92 HE ARG 92 12.118 11.756 0.359
507 1HH1 ARG 92 2HH1 ARG 92 9.302 13.844 0.450
508 2HH1 ARG 92 1HH1 ARG 92 9.913 14.806 1.766
509 1HH2 ARG 92 2HH2 ARG 92 12.885 12.970 2.112
510 2HH2 ARG 92 1HH2 ARG 92 11.940 14.293 2.731
511 H ILE 93 H ILE 93 7.219 7.563 0.044
512 HA ILE 93 HA ILE 93 6.267 6.264 -2.280
513 HB ILE 93 HB ILE 93 6.561 5.142 -0.083
514 1HG2 ILE 93 3HG2 ILE 93 4.613 7.140 0.735
515 2HG2 ILE 93 1HG2 ILE 93 4.176 5.504 1.229
516 3HG2 ILE 93 2HG2 ILE 93 5.734 6.182 1.703
517 1HD1 ILE 93 2HD1 ILE 93 6.405 3.959 -2.145
518 2HD1 ILE 93 3HD1 ILE 93 5.082 2.792 -2.168
519 3HD1 ILE 93 1HD1 ILE 93 4.946 4.299 -3.077
520 H LEU 94 H LEU 94 5.065 8.892 -0.363
521 HA LEU 94 HA LEU 94 2.349 8.828 -1.186
522 HG LEU 94 HG LEU 94 3.574 9.242 1.442
523 1HD1 LEU 94 3HD1 LEU 94 3.745 11.962 1.732
524 2HD1 LEU 94 1HD1 LEU 94 2.247 11.577 2.580
525 3HD1 LEU 94 2HD1 LEU 94 3.753 10.786 3.047
526 1HD2 LEU 94 1HD2 LEU 94 1.301 8.766 0.664
527 2HD2 LEU 94 2HD2 LEU 94 1.328 9.188 2.377
528 3HD2 LEU 94 3HD2 LEU 94 0.791 10.373 1.183
529 H ALA 95 H ALA 95 5.275 9.883 -2.686
530 HA ALA 95 HA ALA 95 4.096 11.606 -4.638
531 1HB ALA 95 2HB ALA 95 6.334 12.055 -4.368
532 2HB ALA 95 3HB ALA 95 6.776 10.352 -4.257
533 3HB ALA 95 1HB ALA 95 6.364 11.056 -5.821
534 H LEU 96 H LEU 96 4.918 8.183 -4.481
535 HA LEU 96 HA LEU 96 4.295 7.678 -7.234
536 HG LEU 96 HG LEU 96 6.721 6.917 -5.482
537 1HD1 LEU 96 3HD1 LEU 96 6.185 4.151 -5.302
538 2HD1 LEU 96 1HD1 LEU 96 7.462 4.366 -6.503
539 3HD1 LEU 96 2HD1 LEU 96 7.664 5.011 -4.871
540 1HD2 LEU 96 1HD2 LEU 96 5.791 6.302 -8.166
541 2HD2 LEU 96 2HD2 LEU 96 7.015 7.454 -7.627
542 3HD2 LEU 96 3HD2 LEU 96 7.446 5.762 -7.880
543 H GLY 97 H GLY 97 2.566 7.608 -4.203
544 1HA GLY 97 2HA GLY 97 0.377 7.079 -3.690
545 2HA GLY 97 1HA GLY 97 0.267 6.219 -5.220
546 H GLY 98 H GLY 98 0.965 9.626 -4.471
547 1HA GLY 98 2HA GLY 98 -0.157 11.553 -5.062
548 2HA GLY 98 1HA GLY 98 -1.570 10.566 -5.414
549 H LYS 99 H LYS 99 -2.209 10.990 -7.412
550 HA LYS 99 HA LYS 99 -0.580 10.298 -9.619
551 1HZ LYS 99 3HZ LYS 99 -3.749 7.054 -7.051
552 2HZ LYS 99 2HZ LYS 99 -3.952 5.623 -7.942
553 3HZ LYS 99 1HZ LYS 99 -2.394 6.230 -7.650
554 H GLU 100 H GLU 100 -1.410 13.356 -8.132
555 HA GLU 100 HA GLU 100 0.820 14.641 -9.373
No H/Q in entry = 555
Start of MODEL 3
1 H1 GLY -2 1H GLY -2 9.947 5.358 -13.940
2 H2 GLY -2 3H GLY -2 9.049 6.546 -13.132
3 H3 GLY -2 2H GLY -2 10.006 6.967 -14.467
4 1HA GLY -2 1HA GLY -2 10.730 7.049 -11.812
5 2HA GLY -2 2HA GLY -2 11.773 7.294 -13.207
6 H SER -1 H SER -1 13.603 6.275 -12.569
7 HA SER -1 HA SER -1 13.547 3.385 -12.454
8 HG SER -1 HG SER -1 16.487 5.827 -11.790
9 H VAL 1 H VAL 1 12.194 4.556 -10.313
10 HA VAL 1 HA VAL 1 13.823 4.635 -7.967
11 HB VAL 1 HB VAL 1 11.740 5.903 -8.076
12 1HG1 VAL 1 1HG1 VAL 1 10.637 3.852 -9.381
13 2HG1 VAL 1 2HG1 VAL 1 10.025 3.511 -7.762
14 3HG1 VAL 1 3HG1 VAL 1 9.685 5.064 -8.525
15 1HG2 VAL 1 2HG2 VAL 1 12.210 3.888 -5.972
16 2HG2 VAL 1 3HG2 VAL 1 12.103 5.647 -5.864
17 3HG2 VAL 1 1HG2 VAL 1 10.632 4.678 -5.959
18 H ASP 2 H ASP 2 14.200 3.077 -6.477
19 HA ASP 2 HA ASP 2 14.184 0.379 -7.269
20 H PHE 3 H PHE 3 12.053 2.239 -5.197
21 HA PHE 3 HA PHE 3 9.893 1.954 -4.546
22 HD1 PHE 3 1HD PHE 3 8.583 -2.104 -5.124
23 HD2 PHE 3 2HD PHE 3 7.352 1.950 -5.514
24 HE1 PHE 3 1HE PHE 3 6.351 -2.707 -4.296
25 HE2 PHE 3 2HE PHE 3 5.112 1.352 -4.690
26 HZ PHE 3 HZ PHE 3 4.611 -0.979 -4.079
27 H ALA 4 H ALA 4 11.678 -1.107 -4.570
28 HA ALA 4 HA ALA 4 10.557 -2.232 -2.266
29 1HB ALA 4 3HB ALA 4 13.161 -2.606 -3.700
30 2HB ALA 4 1HB ALA 4 12.825 -3.463 -2.195
31 3HB ALA 4 2HB ALA 4 11.778 -3.697 -3.598
32 H PHE 5 H PHE 5 13.429 -0.211 -2.708
33 HA PHE 5 HA PHE 5 14.307 -0.127 -0.062
34 HD1 PHE 5 1HD PHE 5 16.111 0.783 0.915
35 HD2 PHE 5 2HD PHE 5 15.401 4.028 -1.749
36 HE1 PHE 5 1HE PHE 5 17.301 2.295 2.445
37 HE2 PHE 5 2HE PHE 5 16.593 5.543 -0.222
38 HZ PHE 5 HZ PHE 5 17.532 4.696 1.868
39 H GLU 6 H GLU 6 11.983 1.960 -1.767
40 HA GLU 6 HA GLU 6 11.533 3.767 0.325
41 H LEU 7 H LEU 7 9.760 0.794 -0.530
42 HA LEU 7 HA LEU 7 7.862 1.024 1.537
43 HG LEU 7 HG LEU 7 7.784 -0.073 -1.511
44 1HD1 LEU 7 3HD1 LEU 7 5.896 -2.143 -0.413
45 2HD1 LEU 7 1HD1 LEU 7 5.777 -1.416 -2.015
46 3HD1 LEU 7 2HD1 LEU 7 7.179 -2.400 -1.595
47 1HD2 LEU 7 1HD2 LEU 7 6.274 0.855 0.724
48 2HD2 LEU 7 2HD2 LEU 7 6.342 1.509 -0.911
49 3HD2 LEU 7 3HD2 LEU 7 5.163 0.263 -0.507
50 H ARG 8 H ARG 8 10.985 -0.652 1.413
51 HA ARG 8 HA ARG 8 10.813 -1.833 3.980
52 HE ARG 8 HE ARG 8 15.062 -3.795 3.498
53 1HH1 ARG 8 2HH1 ARG 8 12.671 -5.808 1.920
54 2HH1 ARG 8 1HH1 ARG 8 12.634 -6.991 3.195
55 1HH2 ARG 8 2HH2 ARG 8 15.034 -5.341 5.163
56 2HH2 ARG 8 1HH2 ARG 8 13.995 -6.733 5.043
57 H LYS 9 H LYS 9 12.125 1.237 2.834
58 HA LYS 9 HA LYS 9 13.203 2.103 5.291
59 1HZ LYS 9 2HZ LYS 9 15.392 3.894 6.519
60 2HZ LYS 9 1HZ LYS 9 16.656 4.966 6.142
61 3HZ LYS 9 3HZ LYS 9 15.903 5.040 7.660
62 H ALA 10 H ALA 10 10.083 2.702 3.719
63 HA ALA 10 HA ALA 10 9.082 4.444 5.705
64 1HB ALA 10 2HB ALA 10 6.822 3.554 4.642
65 2HB ALA 10 3HB ALA 10 7.883 4.675 3.787
66 3HB ALA 10 1HB ALA 10 7.935 2.951 3.414
67 H GLN 11 H GLN 11 9.072 0.952 5.371
68 HA GLN 11 HA GLN 11 7.032 0.461 7.250
69 1HE2 GLN 11 1HE2 GLN 11 5.593 -3.667 6.594
70 2HE2 GLN 11 2HE2 GLN 11 6.431 -5.047 5.978
71 H ASP 12 H ASP 12 10.597 0.425 7.642
72 HA ASP 12 HA ASP 12 10.242 -0.207 10.440
73 H THR 13 H THR 13 11.400 2.568 8.586
74 HA THR 13 HA THR 13 11.973 4.140 10.890
75 HB THR 13 HB THR 13 11.452 5.085 8.064
76 HG1 THR 13 1HG THR 13 13.138 3.419 8.375
77 1HG2 THR 13 2HG2 THR 13 12.926 6.325 10.390
78 2HG2 THR 13 1HG2 THR 13 12.998 6.925 8.733
79 3HG2 THR 13 3HG2 THR 13 11.467 6.933 9.608
80 H GLY 14 H GLY 14 9.235 4.038 8.633
81 1HA GLY 14 2HA GLY 14 7.334 5.478 8.713
82 2HA GLY 14 1HA GLY 14 7.770 5.906 10.361
83 H LYS 15 H LYS 15 5.622 4.249 8.548
84 HA LYS 15 HA LYS 15 5.249 1.899 10.120
85 1HZ LYS 15 3HZ LYS 15 0.863 4.598 14.021
86 2HZ LYS 15 2HZ LYS 15 1.063 3.318 15.114
87 3HZ LYS 15 1HZ LYS 15 2.086 4.666 15.193
88 H ILE 16 H ILE 16 4.209 0.450 8.889
89 HA ILE 16 HA ILE 16 2.338 1.406 6.833
90 HB ILE 16 HB ILE 16 4.553 -0.598 6.342
91 1HG2 ILE 16 1HG2 ILE 16 2.166 -0.980 5.342
92 2HG2 ILE 16 2HG2 ILE 16 2.653 0.298 4.227
93 3HG2 ILE 16 3HG2 ILE 16 3.600 -1.188 4.333
94 1HD1 ILE 16 1HD1 ILE 16 5.337 -0.056 3.954
95 2HD1 ILE 16 2HD1 ILE 16 5.279 1.618 3.401
96 3HD1 ILE 16 3HD1 ILE 16 6.563 1.092 4.490
97 H VAL 17 H VAL 17 0.472 0.364 6.977
98 HA VAL 17 HA VAL 17 0.232 -2.015 8.626
99 HB VAL 17 HB VAL 17 -1.890 -0.524 7.065
100 1HG1 VAL 17 2HG1 VAL 17 -2.039 -3.061 8.090
101 2HG1 VAL 17 3HG1 VAL 17 -2.706 -2.076 9.393
102 3HG1 VAL 17 1HG1 VAL 17 -3.409 -1.995 7.779
103 1HG2 VAL 17 2HG2 VAL 17 -1.060 -0.338 9.957
104 2HG2 VAL 17 3HG2 VAL 17 -0.953 0.926 8.732
105 3HG2 VAL 17 1HG2 VAL 17 -2.531 0.373 9.290
106 H MET 18 H MET 18 0.404 -4.016 7.820
107 HA MET 18 HA MET 18 0.216 -4.333 4.902
108 1HE MET 18 3HE MET 18 3.018 -6.838 7.631
109 2HE MET 18 1HE MET 18 3.210 -8.592 7.566
110 3HE MET 18 2HE MET 18 4.619 -7.544 7.415
111 H GLY 19 H GLY 19 -1.371 -5.532 4.075
112 1HA GLY 19 2HA GLY 19 -3.179 -6.932 5.860
113 2HA GLY 19 1HA GLY 19 -2.285 -7.971 4.757
114 H ALA 20 H ALA 20 -5.163 -6.681 5.149
115 HA ALA 20 HA ALA 20 -5.655 -5.460 2.592
116 1HB ALA 20 1HB ALA 20 -6.654 -8.265 3.097
117 2HB ALA 20 2HB ALA 20 -7.262 -7.208 1.823
118 3HB ALA 20 3HB ALA 20 -5.577 -7.733 1.804
119 H ARG 21 H ARG 21 -7.311 -7.402 5.073
120 HA ARG 21 HA ARG 21 -9.635 -5.777 5.251
121 HE ARG 21 HE ARG 21 -13.152 -8.022 8.102
122 1HH1 ARG 21 2HH1 ARG 21 -12.830 -5.075 6.226
123 2HH1 ARG 21 1HH1 ARG 21 -14.163 -4.284 6.999
124 1HH2 ARG 21 2HH2 ARG 21 -14.874 -6.953 9.157
125 2HH2 ARG 21 1HH2 ARG 21 -15.303 -5.330 8.692
126 H LYS 22 H LYS 22 -6.538 -5.863 6.903
127 HA LYS 22 HA LYS 22 -7.019 -3.933 8.887
128 1HZ LYS 22 1HZ LYS 22 -3.859 -6.032 11.841
129 2HZ LYS 22 3HZ LYS 22 -2.630 -4.936 12.256
130 3HZ LYS 22 2HZ LYS 22 -4.047 -4.379 11.508
131 H SER 23 H SER 23 -5.881 -3.641 5.556
132 HA SER 23 HA SER 23 -5.368 -0.866 5.598
133 HG SER 23 HG SER 23 -3.538 -2.238 3.582
134 H ILE 24 H ILE 24 -8.228 -2.792 4.875
135 HA ILE 24 HA ILE 24 -9.924 -0.737 3.967
136 HB ILE 24 HB ILE 24 -10.661 -3.242 5.491
137 1HG2 ILE 24 1HG2 ILE 24 -12.289 -1.136 5.078
138 2HG2 ILE 24 2HG2 ILE 24 -12.556 -2.038 3.585
139 3HG2 ILE 24 3HG2 ILE 24 -12.845 -2.809 5.145
140 1HD1 ILE 24 3HD1 ILE 24 -12.047 -4.655 3.914
141 2HD1 ILE 24 1HD1 ILE 24 -11.622 -4.708 2.202
142 3HD1 ILE 24 2HD1 ILE 24 -10.581 -5.489 3.394
143 H GLN 25 H GLN 25 -9.150 -1.918 7.197
144 HA GLN 25 HA GLN 25 -11.062 -0.521 8.673
145 1HE2 GLN 25 1HE2 GLN 25 -10.565 -2.120 12.895
146 2HE2 GLN 25 2HE2 GLN 25 -12.258 -1.807 12.707
147 H TYR 26 H TYR 26 -7.768 0.422 7.748
148 HA TYR 26 HA TYR 26 -7.922 3.019 8.885
149 HD1 TYR 26 1HD TYR 26 -6.325 0.299 9.247
150 HD2 TYR 26 2HD TYR 26 -4.353 4.042 8.805
151 HE1 TYR 26 1HE TYR 26 -5.010 -0.161 11.270
152 HE2 TYR 26 2HE TYR 26 -3.026 3.587 10.823
153 HH TYR 26 HH TYR 26 -3.103 2.258 12.812
154 H ALA 27 H ALA 27 -8.781 1.710 5.756
155 HA ALA 27 HA ALA 27 -9.028 4.151 4.368
156 1HB ALA 27 3HB ALA 27 -10.268 1.446 3.972
157 2HB ALA 27 2HB ALA 27 -8.982 2.217 3.041
158 3HB ALA 27 1HB ALA 27 -10.641 2.807 2.914
159 H LYS 28 H LYS 28 -11.294 2.314 6.369
160 HA LYS 28 HA LYS 28 -13.530 4.003 5.843
161 1HZ LYS 28 2HZ LYS 28 -15.367 1.032 9.431
162 2HZ LYS 28 1HZ LYS 28 -14.698 -0.210 10.374
163 3HZ LYS 28 3HZ LYS 28 -13.719 1.061 9.830
164 H MET 29 H MET 29 -11.307 3.719 8.597
165 HA MET 29 HA MET 29 -12.531 5.848 10.036
166 1HE MET 29 3HE MET 29 -7.826 5.531 12.538
167 2HE MET 29 1HE MET 29 -9.369 5.113 13.278
168 3HE MET 29 2HE MET 29 -7.886 4.346 13.841
169 H GLY 30 H GLY 30 -9.890 5.679 7.780
170 1HA GLY 30 2HA GLY 30 -9.618 8.581 7.799
171 2HA GLY 30 1HA GLY 30 -8.822 7.461 6.697
172 H GLY 31 H GLY 31 -6.688 7.556 6.948
173 1HA GLY 31 2HA GLY 31 -5.491 6.939 9.470
174 2HA GLY 31 1HA GLY 31 -5.269 8.631 9.050
175 H ALA 32 H ALA 32 -5.330 5.791 6.949
176 HA ALA 32 HA ALA 32 -2.524 5.658 6.538
177 1HB ALA 32 3HB ALA 32 -4.859 4.269 5.610
178 2HB ALA 32 1HB ALA 32 -3.789 4.630 4.257
179 3HB ALA 32 2HB ALA 32 -3.180 3.731 5.646
180 H LYS 33 H LYS 33 -1.247 6.840 5.235
181 HA LYS 33 HA LYS 33 -2.475 9.060 3.857
182 1HZ LYS 33 3HZ LYS 33 -3.567 12.177 5.659
183 2HZ LYS 33 2HZ LYS 33 -2.647 13.555 5.296
184 3HZ LYS 33 1HZ LYS 33 -3.400 12.687 4.051
185 H LEU 34 H LEU 34 -0.680 6.141 3.029
186 HA LEU 34 HA LEU 34 -1.585 6.518 0.264
187 HG LEU 34 HG LEU 34 0.112 7.398 -1.430
188 1HD1 LEU 34 2HD1 LEU 34 2.712 6.763 -0.698
189 2HD1 LEU 34 3HD1 LEU 34 2.408 5.816 -2.156
190 3HD1 LEU 34 1HD1 LEU 34 2.188 7.567 -2.178
191 1HD2 LEU 34 2HD2 LEU 34 -0.503 4.693 -1.236
192 2HD2 LEU 34 3HD2 LEU 34 -0.670 5.722 -2.659
193 3HD2 LEU 34 1HD2 LEU 34 0.799 4.777 -2.423
194 H ILE 35 H ILE 35 -2.771 4.762 -0.168
195 HA ILE 35 HA ILE 35 -1.979 2.198 1.051
196 HB ILE 35 HB ILE 35 -4.579 2.903 -0.327
197 1HG2 ILE 35 2HG2 ILE 35 -3.512 0.439 -0.152
198 2HG2 ILE 35 3HG2 ILE 35 -4.348 0.520 1.401
199 3HG2 ILE 35 1HG2 ILE 35 -5.247 0.753 -0.098
200 1HD1 ILE 35 2HD1 ILE 35 -6.507 2.779 1.136
201 2HD1 ILE 35 3HD1 ILE 35 -6.138 1.890 2.614
202 3HD1 ILE 35 1HD1 ILE 35 -6.340 3.642 2.664
203 H ILE 36 H ILE 36 -1.097 0.660 -0.181
204 HA ILE 36 HA ILE 36 -1.146 1.033 -3.108
205 HB ILE 36 HB ILE 36 0.986 -0.357 -1.467
206 1HG2 ILE 36 1HG2 ILE 36 0.366 -0.453 -4.228
207 2HG2 ILE 36 2HG2 ILE 36 1.861 0.463 -4.048
208 3HG2 ILE 36 3HG2 ILE 36 1.743 -1.169 -3.390
209 1HD1 ILE 36 1HD1 ILE 36 3.238 0.962 -2.586
210 2HD1 ILE 36 2HD1 ILE 36 3.224 2.652 -2.084
211 3HD1 ILE 36 3HD1 ILE 36 3.109 1.375 -0.876
212 H VAL 37 H VAL 37 -1.968 -0.587 -4.314
213 HA VAL 37 HA VAL 37 -2.517 -3.147 -2.945
214 HB VAL 37 HB VAL 37 -4.471 -3.412 -4.489
215 1HG1 VAL 37 1HG1 VAL 37 -4.632 -2.583 -2.124
216 2HG1 VAL 37 2HG1 VAL 37 -4.686 -0.943 -2.773
217 3HG1 VAL 37 3HG1 VAL 37 -5.960 -2.094 -3.177
218 1HG2 VAL 37 2HG2 VAL 37 -3.782 -1.834 -6.225
219 2HG2 VAL 37 3HG2 VAL 37 -5.375 -1.423 -5.592
220 3HG2 VAL 37 1HG2 VAL 37 -3.963 -0.496 -5.093
221 H ALA 38 H ALA 38 -1.886 -4.995 -3.930
222 HA ALA 38 HA ALA 38 -0.167 -4.752 -6.247
223 1HB ALA 38 1HB ALA 38 0.867 -6.454 -5.270
224 2HB ALA 38 2HB ALA 38 -0.404 -6.539 -4.051
225 3HB ALA 38 3HB ALA 38 -0.548 -7.473 -5.541
226 H ARG 39 H ARG 39 -0.547 -5.521 -8.294
227 HA ARG 39 HA ARG 39 -3.177 -5.752 -9.217
228 HE ARG 39 HE ARG 39 -0.929 -2.505 -12.041
229 1HH1 ARG 39 2HH1 ARG 39 0.247 -4.587 -14.618
230 2HH1 ARG 39 1HH1 ARG 39 0.670 -3.259 -15.659
231 1HH2 ARG 39 2HH2 ARG 39 -0.319 -0.773 -13.383
232 2HH2 ARG 39 1HH2 ARG 39 0.374 -1.092 -14.945
233 H ASN 40 H ASN 40 -0.787 -8.265 -8.489
234 HA ASN 40 HA ASN 40 -2.632 -10.393 -9.103
235 1HD2 ASN 40 1HD2 ASN 40 -0.411 -12.883 -9.967
236 2HD2 ASN 40 2HD2 ASN 40 0.220 -12.174 -11.417
237 H ALA 41 H ALA 41 -3.772 -8.723 -7.240
238 HA ALA 41 HA ALA 41 -3.870 -10.477 -4.878
239 1HB ALA 41 3HB ALA 41 -3.944 -7.477 -4.997
240 2HB ALA 41 1HB ALA 41 -4.658 -8.362 -3.646
241 3HB ALA 41 2HB ALA 41 -2.937 -8.522 -3.996
242 H ARG 42 H ARG 42 -6.005 -10.423 -3.798
243 HA ARG 42 HA ARG 42 -8.044 -11.169 -5.478
244 HE ARG 42 HE ARG 42 -6.919 -14.862 -3.852
245 1HH1 ARG 42 2HH1 ARG 42 -9.025 -13.727 -1.274
246 2HH1 ARG 42 1HH1 ARG 42 -8.481 -14.931 -0.140
247 1HH2 ARG 42 2HH2 ARG 42 -6.218 -16.431 -2.355
248 2HH2 ARG 42 1HH2 ARG 42 -6.900 -16.460 -0.751
249 HA PRO 43 HA PRO 43 -9.230 -7.345 -7.419
250 H ASP 44 H ASP 44 -11.558 -9.179 -5.455
251 HA ASP 44 HA ASP 44 -13.373 -7.067 -5.009
252 H ILE 45 H ILE 45 -10.528 -8.153 -3.246
253 HA ILE 45 HA ILE 45 -10.671 -6.350 -1.091
254 HB ILE 45 HB ILE 45 -8.378 -7.834 -2.355
255 1HG2 ILE 45 3HG2 ILE 45 -7.733 -5.602 -1.230
256 2HG2 ILE 45 1HG2 ILE 45 -8.103 -6.440 0.279
257 3HG2 ILE 45 2HG2 ILE 45 -6.849 -7.066 -0.793
258 1HD1 ILE 45 1HD1 ILE 45 -9.704 -7.116 0.939
259 2HD1 ILE 45 2HD1 ILE 45 -11.126 -8.031 0.443
260 3HD1 ILE 45 3HD1 ILE 45 -9.899 -8.789 1.457
261 H LYS 46 H LYS 46 -8.823 -6.185 -4.137
262 HA LYS 46 HA LYS 46 -7.598 -3.729 -3.697
263 1HZ LYS 46 2HZ LYS 46 -5.656 -5.828 -9.448
264 2HZ LYS 46 1HZ LYS 46 -6.167 -7.446 -9.497
265 3HZ LYS 46 3HZ LYS 46 -7.200 -6.211 -10.030
266 H GLU 47 H GLU 47 -10.598 -4.367 -5.502
267 HA GLU 47 HA GLU 47 -11.142 -1.677 -6.059
268 H ASP 48 H ASP 48 -12.160 -3.736 -3.372
269 HA ASP 48 HA ASP 48 -14.067 -1.964 -2.290
270 H ILE 49 H ILE 49 -10.614 -2.415 -1.630
271 HA ILE 49 HA ILE 49 -10.415 -0.397 0.343
272 HB ILE 49 HB ILE 49 -8.284 -1.506 -1.490
273 1HG2 ILE 49 3HG2 ILE 49 -8.075 0.280 0.928
274 2HG2 ILE 49 1HG2 ILE 49 -6.712 -0.603 0.241
275 3HG2 ILE 49 2HG2 ILE 49 -7.539 0.626 -0.716
276 1HD1 ILE 49 3HD1 ILE 49 -6.544 -2.341 0.797
277 2HD1 ILE 49 1HD1 ILE 49 -7.330 -3.808 1.381
278 3HD1 ILE 49 2HD1 ILE 49 -7.022 -3.598 -0.344
279 H GLU 50 H GLU 50 -9.761 -0.347 -3.173
280 HA GLU 50 HA GLU 50 -8.911 2.304 -3.355
281 H TYR 51 H TYR 51 -12.172 0.964 -3.530
282 HA TYR 51 HA TYR 51 -13.520 3.365 -4.115
283 HD1 TYR 51 1HD TYR 51 -16.681 0.865 -1.907
284 HD2 TYR 51 2HD TYR 51 -15.592 3.759 -4.828
285 HE1 TYR 51 1HE TYR 51 -18.934 1.839 -1.774
286 HE2 TYR 51 2HE TYR 51 -17.842 4.741 -4.704
287 HH TYR 51 HH TYR 51 -19.791 4.755 -3.610
288 H TYR 52 H TYR 52 -13.031 1.672 -1.022
289 HA TYR 52 HA TYR 52 -14.325 3.568 0.587
290 HD1 TYR 52 1HD TYR 52 -13.754 0.960 3.868
291 HD2 TYR 52 2HD TYR 52 -15.174 1.442 -0.108
292 HE1 TYR 52 1HE TYR 52 -15.768 -0.331 4.438
293 HE2 TYR 52 2HE TYR 52 -17.190 0.156 0.448
294 HH TYR 52 HH TYR 52 -18.335 -0.328 3.293
295 H ALA 53 H ALA 53 -10.917 3.234 -0.288
296 HA ALA 53 HA ALA 53 -9.943 5.322 1.312
297 1HB ALA 53 2HB ALA 53 -8.170 4.150 0.576
298 2HB ALA 53 1HB ALA 53 -8.197 5.318 -0.744
299 3HB ALA 53 3HB ALA 53 -8.944 3.736 -0.954
300 H ARG 54 H ARG 54 -11.109 5.299 -2.046
301 HA ARG 54 HA ARG 54 -10.510 7.981 -2.618
302 HE ARG 54 HE ARG 54 -12.050 9.024 -7.701
303 1HH1 ARG 54 2HH1 ARG 54 -14.881 8.093 -5.864
304 2HH1 ARG 54 1HH1 ARG 54 -15.849 9.422 -6.433
305 1HH2 ARG 54 2HH2 ARG 54 -13.312 10.756 -8.460
306 2HH2 ARG 54 1HH2 ARG 54 -14.961 10.930 -7.933
307 H LEU 55 H LEU 55 -13.367 6.492 -1.161
308 HA LEU 55 HA LEU 55 -15.015 8.773 -1.082
309 HG LEU 55 HG LEU 55 -15.299 5.607 -1.336
310 1HD1 LEU 55 2HD1 LEU 55 -16.427 4.658 0.657
311 2HD1 LEU 55 3HD1 LEU 55 -17.830 5.663 0.299
312 3HD1 LEU 55 1HD1 LEU 55 -17.325 4.414 -0.840
313 1HD2 LEU 55 2HD2 LEU 55 -17.573 7.582 -1.385
314 2HD2 LEU 55 3HD2 LEU 55 -16.179 7.528 -2.464
315 3HD2 LEU 55 1HD2 LEU 55 -17.386 6.244 -2.518
316 H SER 56 H SER 56 -12.670 7.501 1.237
317 HA SER 56 HA SER 56 -13.039 9.562 3.172
318 HG SER 56 HG SER 56 -10.241 9.465 4.192
319 H GLY 57 H GLY 57 -10.860 9.061 0.467
320 1HA GLY 57 2HA GLY 57 -9.900 11.833 0.782
321 2HA GLY 57 1HA GLY 57 -9.975 10.967 -0.749
322 H ILE 58 H ILE 58 -8.975 8.497 0.366
323 HA ILE 58 HA ILE 58 -6.206 9.200 1.051
324 HB ILE 58 HB ILE 58 -7.630 6.538 1.230
325 1HG2 ILE 58 1HG2 ILE 58 -5.184 6.405 0.741
326 2HG2 ILE 58 2HG2 ILE 58 -4.891 7.251 2.260
327 3HG2 ILE 58 3HG2 ILE 58 -5.661 5.664 2.268
328 1HD1 ILE 58 1HD1 ILE 58 -7.640 5.647 3.467
329 2HD1 ILE 58 2HD1 ILE 58 -6.772 6.579 4.685
330 3HD1 ILE 58 3HD1 ILE 58 -8.522 6.732 4.543
331 HA PRO 59 HA PRO 59 -5.185 8.270 -3.201
332 H VAL 60 H VAL 60 -4.934 6.395 -4.247
333 HA VAL 60 HA VAL 60 -3.715 4.137 -2.779
334 HB VAL 60 HB VAL 60 -5.925 3.985 -4.840
335 1HG1 VAL 60 2HG1 VAL 60 -4.559 1.850 -3.208
336 2HG1 VAL 60 3HG1 VAL 60 -6.044 1.601 -4.129
337 3HG1 VAL 60 1HG1 VAL 60 -4.549 2.025 -4.963
338 1HG2 VAL 60 1HG2 VAL 60 -5.973 4.343 -1.962
339 2HG2 VAL 60 2HG2 VAL 60 -7.278 4.480 -3.142
340 3HG2 VAL 60 3HG2 VAL 60 -6.853 2.902 -2.477
341 H TYR 61 H TYR 61 -1.870 3.491 -3.648
342 HA TYR 61 HA TYR 61 -1.256 4.140 -6.428
343 HD1 TYR 61 1HD TYR 61 0.501 4.321 -7.714
344 HD2 TYR 61 2HD TYR 61 2.509 1.966 -4.799
345 HE1 TYR 61 1HE TYR 61 2.211 3.729 -9.377
346 HE2 TYR 61 2HE TYR 61 4.223 1.368 -6.456
347 HH TYR 61 HH TYR 61 4.771 1.407 -8.641
348 H GLU 62 H GLU 62 -1.493 2.753 -7.994
349 HA GLU 62 HA GLU 62 -2.296 0.028 -7.440
350 H PHE 63 H PHE 63 -0.708 -1.398 -6.988
351 HA PHE 63 HA PHE 63 2.007 -0.927 -7.701
352 HD1 PHE 63 1HD PHE 63 3.872 -1.639 -7.275
353 HD2 PHE 63 2HD PHE 63 2.033 -5.234 -5.930
354 HE1 PHE 63 1HE PHE 63 6.053 -2.776 -7.336
355 HE2 PHE 63 2HE PHE 63 4.211 -6.375 -5.991
356 HZ PHE 63 HZ PHE 63 6.224 -5.142 -6.655
357 H GLU 64 H GLU 64 2.637 -1.049 -9.708
358 HA GLU 64 HA GLU 64 1.523 -2.857 -11.633
359 H GLY 65 H GLY 65 2.141 -4.594 -9.891
360 1HA GLY 65 2HA GLY 65 4.606 -5.628 -9.419
361 2HA GLY 65 1HA GLY 65 4.282 -6.115 -11.077
362 H THR 66 H THR 66 4.551 -7.681 -8.548
363 HA THR 66 HA THR 66 1.898 -8.960 -8.570
364 HB THR 66 HB THR 66 3.367 -10.302 -9.955
365 HG1 THR 66 1HG THR 66 2.832 -12.176 -9.015
366 1HG2 THR 66 1HG2 THR 66 5.341 -9.608 -8.022
367 2HG2 THR 66 3HG2 THR 66 5.204 -11.366 -8.076
368 3HG2 THR 66 2HG2 THR 66 5.548 -10.461 -9.550
369 H SER 67 H SER 67 1.301 -10.113 -6.719
370 HA SER 67 HA SER 67 1.986 -8.897 -4.271
371 HG SER 67 HG SER 67 -0.715 -11.504 -5.437
372 H VAL 68 H VAL 68 3.305 -11.593 -5.980
373 HA VAL 68 HA VAL 68 4.450 -12.979 -3.783
374 HB VAL 68 HB VAL 68 5.487 -12.912 -6.623
375 1HG1 VAL 68 2HG1 VAL 68 5.786 -14.898 -4.378
376 2HG1 VAL 68 3HG1 VAL 68 6.229 -15.230 -6.052
377 3HG1 VAL 68 1HG1 VAL 68 7.056 -13.955 -5.159
378 1HG2 VAL 68 3HG2 VAL 68 3.084 -14.158 -5.452
379 2HG2 VAL 68 1HG2 VAL 68 3.410 -13.651 -7.110
380 3HG2 VAL 68 2HG2 VAL 68 4.054 -15.182 -6.512
381 H GLU 69 H GLU 69 5.794 -10.619 -6.075
382 HA GLU 69 HA GLU 69 8.320 -10.357 -4.810
383 H LEU 70 H LEU 70 5.280 -8.554 -4.592
384 HA LEU 70 HA LEU 70 6.152 -6.566 -2.810
385 HG LEU 70 HG LEU 70 3.778 -6.016 -1.169
386 1HD1 LEU 70 1HD1 LEU 70 4.897 -4.647 -3.475
387 2HD1 LEU 70 2HD1 LEU 70 3.715 -3.675 -2.599
388 3HD1 LEU 70 3HD1 LEU 70 5.116 -4.335 -1.754
389 1HD2 LEU 70 2HD2 LEU 70 1.626 -6.457 -2.667
390 2HD2 LEU 70 3HD2 LEU 70 1.687 -5.179 -1.453
391 3HD2 LEU 70 1HD2 LEU 70 1.953 -4.794 -3.154
392 H GLY 71 H GLY 71 4.829 -9.790 -2.264
393 1HA GLY 71 2HA GLY 71 4.761 -11.134 -0.416
394 2HA GLY 71 1HA GLY 71 4.590 -9.665 0.530
395 H THR 72 H THR 72 7.263 -10.942 -1.468
396 HA THR 72 HA THR 72 8.871 -11.589 0.780
397 HB THR 72 HB THR 72 9.168 -12.567 -1.503
398 HG1 THR 72 1HG THR 72 11.615 -12.267 -1.350
399 1HG2 THR 72 2HG2 THR 72 9.952 -9.785 -2.099
400 2HG2 THR 72 1HG2 THR 72 10.952 -11.054 -2.809
401 3HG2 THR 72 3HG2 THR 72 9.219 -11.008 -3.141
402 H LEU 73 H LEU 73 8.465 -8.731 -1.163
403 HA LEU 73 HA LEU 73 10.703 -7.247 -0.351
404 HG LEU 73 HG LEU 73 10.734 -5.059 -1.579
405 1HD1 LEU 73 3HD1 LEU 73 8.364 -4.909 -3.146
406 2HD1 LEU 73 1HD1 LEU 73 8.696 -3.315 -2.467
407 3HD1 LEU 73 2HD1 LEU 73 9.928 -4.139 -3.426
408 1HD2 LEU 73 2HD2 LEU 73 9.525 -4.573 0.649
409 2HD2 LEU 73 3HD2 LEU 73 10.171 -3.217 -0.274
410 3HD2 LEU 73 1HD2 LEU 73 8.448 -3.578 -0.332
411 H LEU 74 H LEU 74 7.396 -7.341 0.971
412 HA LEU 74 HA LEU 74 8.047 -5.554 3.109
413 HG LEU 74 HG LEU 74 5.991 -4.249 3.223
414 1HD1 LEU 74 1HD1 LEU 74 5.583 -5.467 0.504
415 2HD1 LEU 74 2HD1 LEU 74 5.337 -3.757 0.856
416 3HD1 LEU 74 3HD1 LEU 74 6.933 -4.477 1.056
417 1HD2 LEU 74 2HD2 LEU 74 3.775 -5.549 3.665
418 2HD2 LEU 74 3HD2 LEU 74 3.727 -3.924 2.983
419 3HD2 LEU 74 1HD2 LEU 74 3.528 -5.327 1.933
420 H GLY 75 H GLY 75 7.704 -9.043 2.794
421 1HA GLY 75 2HA GLY 75 8.788 -9.301 5.535
422 2HA GLY 75 1HA GLY 75 9.157 -10.420 4.229
423 H ARG 76 H ARG 76 6.808 -10.978 3.117
424 HA ARG 76 HA ARG 76 5.291 -12.238 5.305
425 HE ARG 76 HE ARG 76 0.966 -11.121 6.435
426 1HH1 ARG 76 2HH1 ARG 76 3.747 -11.031 8.564
427 2HH1 ARG 76 1HH1 ARG 76 2.809 -10.676 9.986
428 1HH2 ARG 76 2HH2 ARG 76 -0.275 -10.667 8.305
429 2HH2 ARG 76 1HH2 ARG 76 0.518 -10.504 9.844
430 HA PRO 77 HA PRO 77 6.378 -15.695 2.643
431 H HIS 78 H HIS 78 3.065 -15.515 3.939
432 HA HIS 78 HA HIS 78 1.989 -16.629 1.501
433 HD1 HIS 78 1HD HIS 78 -1.580 -15.982 4.786
434 HD2 HIS 78 2HD HIS 78 2.336 -14.600 4.968
435 HE1 HIS 78 1HE HIS 78 -1.436 -14.629 6.896
436 HE2 HIS 78 2HE HIS 78 0.995 -14.002 7.096
437 H THR 79 H THR 79 3.281 -14.425 0.839
438 HA THR 79 HA THR 79 3.202 -12.510 -0.346
439 HB THR 79 HB THR 79 1.351 -12.252 -1.909
440 HG1 THR 79 1HG THR 79 0.051 -13.885 -0.053
441 1HG2 THR 79 1HG2 THR 79 3.102 -14.343 -1.784
442 2HG2 THR 79 3HG2 THR 79 1.554 -15.173 -1.951
443 3HG2 THR 79 2HG2 THR 79 2.051 -13.983 -3.154
444 H VAL 80 H VAL 80 1.982 -10.459 -0.889
445 HA VAL 80 HA VAL 80 0.386 -9.519 1.395
446 HB VAL 80 HB VAL 80 2.511 -7.923 -0.065
447 1HG1 VAL 80 1HG1 VAL 80 0.288 -6.798 0.750
448 2HG1 VAL 80 2HG1 VAL 80 1.055 -6.910 2.333
449 3HG1 VAL 80 3HG1 VAL 80 1.843 -6.019 1.030
450 1HG2 VAL 80 1HG2 VAL 80 2.373 -9.058 2.715
451 2HG2 VAL 80 2HG2 VAL 80 3.611 -9.314 1.485
452 3HG2 VAL 80 3HG2 VAL 80 3.466 -7.745 2.276
453 H SER 81 H SER 81 -1.546 -8.807 0.767
454 HA SER 81 HA SER 81 -2.106 -8.543 -2.055
455 HG SER 81 HG SER 81 -3.735 -7.682 1.102
456 H ALA 82 H ALA 82 -1.990 -6.448 0.779
457 HA ALA 82 HA ALA 82 -1.643 -4.116 -0.878
458 1HB ALA 82 3HB ALA 82 -4.241 -4.792 -0.282
459 2HB ALA 82 1HB ALA 82 -3.836 -3.630 0.981
460 3HB ALA 82 2HB ALA 82 -3.669 -3.182 -0.715
461 H LEU 83 H LEU 83 -1.069 -2.241 0.368
462 HA LEU 83 HA LEU 83 -0.576 -2.658 3.208
463 HG LEU 83 HG LEU 83 1.533 -0.705 0.864
464 1HD1 LEU 83 1HD1 LEU 83 3.787 -2.220 2.019
465 2HD1 LEU 83 2HD1 LEU 83 4.020 -1.595 0.386
466 3HD1 LEU 83 3HD1 LEU 83 3.618 -0.492 1.702
467 1HD2 LEU 83 2HD2 LEU 83 1.504 -3.491 -0.021
468 2HD2 LEU 83 3HD2 LEU 83 1.041 -2.023 -0.881
469 3HD2 LEU 83 1HD2 LEU 83 2.735 -2.506 -0.811
470 H ALA 84 H ALA 84 -0.710 -0.820 4.384
471 HA ALA 84 HA ALA 84 -1.308 1.636 2.874
472 1HB ALA 84 3HB ALA 84 -2.902 0.286 4.664
473 2HB ALA 84 1HB ALA 84 -2.212 1.578 5.644
474 3HB ALA 84 2HB ALA 84 -3.100 1.968 4.172
475 H VAL 85 H VAL 85 0.323 3.010 2.923
476 HA VAL 85 HA VAL 85 2.277 3.028 5.044
477 HB VAL 85 HB VAL 85 1.950 5.033 2.803
478 1HG1 VAL 85 2HG1 VAL 85 4.246 4.348 4.627
479 2HG1 VAL 85 3HG1 VAL 85 4.403 5.348 3.183
480 3HG1 VAL 85 1HG1 VAL 85 3.378 5.879 4.514
481 1HG2 VAL 85 3HG2 VAL 85 2.354 2.396 2.376
482 2HG2 VAL 85 1HG2 VAL 85 2.991 3.670 1.338
483 3HG2 VAL 85 2HG2 VAL 85 4.017 2.947 2.576
484 H VAL 86 H VAL 86 1.964 4.010 6.902
485 HA VAL 86 HA VAL 86 -0.132 6.016 7.170
486 HB VAL 86 HB VAL 86 1.558 4.693 9.303
487 1HG1 VAL 86 3HG1 VAL 86 0.238 6.981 9.626
488 2HG1 VAL 86 1HG1 VAL 86 -1.101 5.862 9.884
489 3HG1 VAL 86 2HG1 VAL 86 0.340 5.761 10.896
490 1HG2 VAL 86 3HG2 VAL 86 -1.191 4.014 8.268
491 2HG2 VAL 86 1HG2 VAL 86 0.261 3.017 8.177
492 3HG2 VAL 86 2HG2 VAL 86 -0.486 3.346 9.741
493 H ASP 87 H ASP 87 3.342 5.647 7.707
494 HA ASP 87 HA ASP 87 3.552 8.573 8.019
495 HA PRO 88 HA PRO 88 6.109 7.593 4.377
496 H GLY 89 H GLY 89 6.827 9.453 6.470
497 1HA GLY 89 2HA GLY 89 8.010 11.391 6.851
498 2HA GLY 89 1HA GLY 89 7.262 12.051 5.406
499 H GLU 90 H GLU 90 9.682 9.587 6.263
500 HA GLU 90 HA GLU 90 11.737 10.910 4.834
501 H SER 91 H SER 91 9.764 8.069 4.112
502 HA SER 91 HA SER 91 11.121 7.401 1.711
503 HG SER 91 HG SER 91 9.933 5.814 0.473
504 H ARG 92 H ARG 92 10.726 7.952 -0.385
505 HA ARG 92 HA ARG 92 8.819 10.151 -0.788
506 HE ARG 92 HE ARG 92 9.681 12.626 -2.123
507 1HH1 ARG 92 2HH1 ARG 92 9.298 12.935 1.347
508 2HH1 ARG 92 1HH1 ARG 92 7.890 13.952 1.228
509 1HH2 ARG 92 2HH2 ARG 92 7.834 13.965 -2.276
510 2HH2 ARG 92 1HH2 ARG 92 7.084 14.557 -0.823
511 H ILE 93 H ILE 93 7.996 7.436 -0.478
512 HA ILE 93 HA ILE 93 7.342 6.227 -2.952
513 HB ILE 93 HB ILE 93 7.287 5.020 -0.793
514 1HG2 ILE 93 1HG2 ILE 93 5.749 7.176 0.068
515 2HG2 ILE 93 2HG2 ILE 93 4.648 5.799 0.055
516 3HG2 ILE 93 3HG2 ILE 93 6.149 5.719 0.978
517 1HD1 ILE 93 1HD1 ILE 93 7.058 3.243 -2.568
518 2HD1 ILE 93 2HD1 ILE 93 5.533 3.083 -3.440
519 3HD1 ILE 93 3HD1 ILE 93 6.570 4.481 -3.725
520 H LEU 94 H LEU 94 6.097 8.917 -1.236
521 HA LEU 94 HA LEU 94 3.449 9.042 -2.116
522 HG LEU 94 HG LEU 94 5.055 9.810 0.408
523 1HD1 LEU 94 1HD1 LEU 94 5.167 12.435 0.410
524 2HD1 LEU 94 2HD1 LEU 94 3.518 12.284 1.021
525 3HD1 LEU 94 3HD1 LEU 94 4.855 11.536 1.896
526 1HD2 LEU 94 1HD2 LEU 94 2.770 9.051 -0.264
527 2HD2 LEU 94 2HD2 LEU 94 2.917 9.532 1.425
528 3HD2 LEU 94 3HD2 LEU 94 2.159 10.619 0.263
529 H ALA 95 H ALA 95 6.418 9.626 -3.790
530 HA ALA 95 HA ALA 95 5.454 11.248 -5.897
531 1HB ALA 95 1HB ALA 95 7.634 11.277 -6.312
532 2HB ALA 95 3HB ALA 95 7.512 9.624 -6.914
533 3HB ALA 95 2HB ALA 95 7.899 9.918 -5.219
534 H LEU 96 H LEU 96 5.681 7.742 -5.465
535 HA LEU 96 HA LEU 96 4.612 7.159 -8.072
536 HG LEU 96 HG LEU 96 6.729 5.858 -8.001
537 1HD1 LEU 96 1HD1 LEU 96 6.852 6.402 -5.260
538 2HD1 LEU 96 2HD1 LEU 96 7.972 5.070 -5.541
539 3HD1 LEU 96 3HD1 LEU 96 8.143 6.571 -6.451
540 1HD2 LEU 96 1HD2 LEU 96 5.944 3.279 -6.948
541 2HD2 LEU 96 2HD2 LEU 96 6.924 3.672 -8.361
542 3HD2 LEU 96 3HD2 LEU 96 7.675 3.568 -6.768
543 H GLY 97 H GLY 97 3.387 7.628 -4.848
544 1HA GLY 97 2HA GLY 97 1.243 7.715 -4.009
545 2HA GLY 97 1HA GLY 97 0.778 6.573 -5.263
546 H GLY 98 H GLY 98 2.248 9.698 -5.829
547 1HA GLY 98 2HA GLY 98 0.104 10.457 -7.601
548 2HA GLY 98 1HA GLY 98 1.556 11.382 -7.254
549 H LYS 99 H LYS 99 -1.300 10.218 -5.494
550 HA LYS 99 HA LYS 99 -2.647 11.140 -3.930
551 1HZ LYS 99 2HZ LYS 99 0.163 14.561 -0.963
552 2HZ LYS 99 1HZ LYS 99 1.581 15.177 -1.663
553 3HZ LYS 99 3HZ LYS 99 0.338 14.582 -2.650
554 H GLU 100 H GLU 100 -1.154 13.747 -5.848
555 HA GLU 100 HA GLU 100 -2.017 15.500 -6.987
No H/Q in entry = 555
Start of MODEL 4
1 H1 GLY -2 2H GLY -2 5.153 0.312 -14.864
2 H2 GLY -2 1H GLY -2 4.689 1.105 -16.292
3 H3 GLY -2 3H GLY -2 6.184 0.309 -16.214
4 1HA GLY -2 1HA GLY -2 5.560 2.971 -15.533
5 2HA GLY -2 2HA GLY -2 7.134 2.193 -15.614
6 H SER -1 H SER -1 6.854 0.268 -13.645
7 HA SER -1 HA SER -1 5.913 1.480 -11.217
8 HG SER -1 HG SER -1 6.584 -1.563 -9.570
9 H VAL 1 H VAL 1 7.023 2.617 -9.776
10 HA VAL 1 HA VAL 1 9.585 3.668 -10.343
11 HB VAL 1 HB VAL 1 8.118 3.643 -7.693
12 1HG1 VAL 1 3HG1 VAL 1 10.628 4.252 -7.788
13 2HG1 VAL 1 1HG1 VAL 1 10.076 5.730 -8.579
14 3HG1 VAL 1 2HG1 VAL 1 9.521 5.340 -6.950
15 1HG2 VAL 1 2HG2 VAL 1 7.532 4.965 -10.159
16 2HG2 VAL 1 3HG2 VAL 1 6.650 5.009 -8.633
17 3HG2 VAL 1 1HG2 VAL 1 7.954 6.158 -8.931
18 H ASP 2 H ASP 2 8.510 0.848 -8.682
19 HA ASP 2 HA ASP 2 9.559 -0.886 -7.671
20 H PHE 3 H PHE 3 8.751 0.737 -6.000
21 HA PHE 3 HA PHE 3 10.594 2.326 -4.574
22 HD1 PHE 3 1HD PHE 3 8.490 -0.462 -3.326
23 HD2 PHE 3 2HD PHE 3 5.972 2.716 -4.617
24 HE1 PHE 3 1HE PHE 3 6.574 -2.000 -3.393
25 HE2 PHE 3 2HE PHE 3 4.067 1.194 -4.693
26 HZ PHE 3 HZ PHE 3 4.319 -1.130 -4.003
27 H ALA 4 H ALA 4 11.692 -0.231 -4.601
28 HA ALA 4 HA ALA 4 11.169 -1.750 -2.292
29 1HB ALA 4 1HB ALA 4 13.849 -1.576 -3.647
30 2HB ALA 4 2HB ALA 4 13.133 -2.948 -2.802
31 3HB ALA 4 3HB ALA 4 12.481 -2.435 -4.358
32 H PHE 5 H PHE 5 13.609 0.704 -2.996
33 HA PHE 5 HA PHE 5 14.803 0.778 -0.432
34 HD1 PHE 5 1HD PHE 5 16.406 1.534 0.415
35 HD2 PHE 5 2HD PHE 5 16.209 4.747 -2.363
36 HE1 PHE 5 1HE PHE 5 18.049 2.789 1.750
37 HE2 PHE 5 2HE PHE 5 17.853 6.004 -1.037
38 HZ PHE 5 HZ PHE 5 18.781 5.025 1.019
39 H GLU 6 H GLU 6 12.169 2.558 -1.941
40 HA GLU 6 HA GLU 6 11.737 4.449 0.067
41 H LEU 7 H LEU 7 10.097 1.286 -0.432
42 HA LEU 7 HA LEU 7 8.510 1.533 1.878
43 HG LEU 7 HG LEU 7 7.458 0.399 -0.743
44 1HD1 LEU 7 2HD1 LEU 7 6.492 -2.000 0.805
45 2HD1 LEU 7 3HD1 LEU 7 5.595 -1.227 -0.502
46 3HD1 LEU 7 1HD1 LEU 7 7.154 -1.979 -0.830
47 1HD2 LEU 7 1HD2 LEU 7 6.566 0.584 2.092
48 2HD2 LEU 7 2HD2 LEU 7 6.601 1.821 0.837
49 3HD2 LEU 7 3HD2 LEU 7 5.348 0.580 0.816
50 H ARG 8 H ARG 8 11.715 0.028 1.421
51 HA ARG 8 HA ARG 8 11.770 -1.111 3.997
52 HE ARG 8 HE ARG 8 14.964 -2.504 0.927
53 1HH1 ARG 8 2HH1 ARG 8 17.281 -0.061 -0.024
54 2HH1 ARG 8 1HH1 ARG 8 17.273 -0.520 -1.701
55 1HH2 ARG 8 2HH2 ARG 8 14.959 -3.125 -1.280
56 2HH2 ARG 8 1HH2 ARG 8 15.971 -2.260 -2.411
57 H LYS 9 H LYS 9 12.752 2.076 2.839
58 HA LYS 9 HA LYS 9 13.912 2.903 5.318
59 1HZ LYS 9 1HZ LYS 9 14.576 7.016 3.812
60 2HZ LYS 9 3HZ LYS 9 15.741 6.344 4.843
61 3HZ LYS 9 2HZ LYS 9 16.042 7.824 4.067
62 H ALA 10 H ALA 10 10.735 3.359 3.812
63 HA ALA 10 HA ALA 10 9.561 4.937 5.805
64 1HB ALA 10 3HB ALA 10 8.630 3.328 3.537
65 2HB ALA 10 1HB ALA 10 7.453 3.522 4.837
66 3HB ALA 10 2HB ALA 10 8.150 4.943 4.061
67 H GLN 11 H GLN 11 9.790 1.430 5.468
68 HA GLN 11 HA GLN 11 8.136 0.789 7.667
69 1HE2 GLN 11 1HE2 GLN 11 9.499 -1.977 10.184
70 2HE2 GLN 11 2HE2 GLN 11 11.124 -2.573 10.247
71 H ASP 12 H ASP 12 11.591 1.365 7.336
72 HA ASP 12 HA ASP 12 12.340 0.521 9.920
73 H THR 13 H THR 13 11.746 3.804 8.636
74 HA THR 13 HA THR 13 11.542 4.706 11.438
75 HB THR 13 HB THR 13 13.601 5.509 10.428
76 HG1 THR 13 1HG THR 13 12.464 6.936 11.863
77 1HG2 THR 13 2HG2 THR 13 12.665 5.452 8.068
78 2HG2 THR 13 1HG2 THR 13 11.981 7.040 8.417
79 3HG2 THR 13 3HG2 THR 13 13.728 6.802 8.470
80 H GLY 14 H GLY 14 9.322 3.801 10.081
81 1HA GLY 14 2HA GLY 14 7.640 5.377 8.702
82 2HA GLY 14 1HA GLY 14 7.638 6.150 10.284
83 H LYS 15 H LYS 15 5.710 4.352 8.571
84 HA LYS 15 HA LYS 15 5.321 2.023 10.148
85 1HZ LYS 15 1HZ LYS 15 0.199 3.882 14.034
86 2HZ LYS 15 3HZ LYS 15 1.076 5.329 13.891
87 3HZ LYS 15 2HZ LYS 15 -0.386 5.138 13.054
88 H ILE 16 H ILE 16 4.445 0.594 8.856
89 HA ILE 16 HA ILE 16 2.412 1.458 6.909
90 HB ILE 16 HB ILE 16 4.724 -0.414 6.374
91 1HG2 ILE 16 1HG2 ILE 16 2.193 -0.942 5.546
92 2HG2 ILE 16 2HG2 ILE 16 2.820 0.007 4.199
93 3HG2 ILE 16 3HG2 ILE 16 3.657 -1.456 4.710
94 1HD1 ILE 16 3HD1 ILE 16 5.946 1.477 6.869
95 2HD1 ILE 16 1HD1 ILE 16 6.655 1.664 5.265
96 3HD1 ILE 16 2HD1 ILE 16 5.761 2.998 5.997
97 H VAL 17 H VAL 17 0.580 0.370 7.173
98 HA VAL 17 HA VAL 17 0.593 -2.002 8.881
99 HB VAL 17 HB VAL 17 -1.759 -0.423 7.825
100 1HG1 VAL 17 2HG1 VAL 17 -1.930 -2.928 8.636
101 2HG1 VAL 17 3HG1 VAL 17 -1.897 -2.169 10.227
102 3HG1 VAL 17 1HG1 VAL 17 -3.154 -1.735 9.070
103 1HG2 VAL 17 2HG2 VAL 17 0.111 0.310 9.766
104 2HG2 VAL 17 3HG2 VAL 17 -1.458 1.052 9.455
105 3HG2 VAL 17 1HG2 VAL 17 -1.311 -0.229 10.658
106 H MET 18 H MET 18 0.986 -3.818 7.795
107 HA MET 18 HA MET 18 0.005 -4.159 5.082
108 1HE MET 18 3HE MET 18 3.122 -7.189 9.269
109 2HE MET 18 1HE MET 18 1.652 -7.302 10.237
110 3HE MET 18 2HE MET 18 2.341 -8.754 9.506
111 H GLY 19 H GLY 19 -1.629 -5.469 4.449
112 1HA GLY 19 2HA GLY 19 -3.387 -6.382 6.593
113 2HA GLY 19 1HA GLY 19 -2.867 -7.592 5.430
114 H ALA 20 H ALA 20 -4.637 -8.019 4.251
115 HA ALA 20 HA ALA 20 -5.555 -6.107 2.369
116 1HB ALA 20 1HB ALA 20 -6.262 -7.931 1.332
117 2HB ALA 20 3HB ALA 20 -7.402 -8.275 2.633
118 3HB ALA 20 2HB ALA 20 -5.750 -8.886 2.724
119 H ARG 21 H ARG 21 -7.132 -7.575 5.213
120 HA ARG 21 HA ARG 21 -9.475 -5.954 4.976
121 HE ARG 21 HE ARG 21 -9.708 -9.508 8.950
122 1HH1 ARG 21 2HH1 ARG 21 -9.310 -11.179 5.891
123 2HH1 ARG 21 1HH1 ARG 21 -8.042 -12.213 6.483
124 1HH2 ARG 21 2HH2 ARG 21 -8.042 -10.861 9.722
125 2HH2 ARG 21 1HH2 ARG 21 -7.317 -12.026 8.656
126 H LYS 22 H LYS 22 -6.443 -5.686 6.698
127 HA LYS 22 HA LYS 22 -7.157 -3.598 8.430
128 1HZ LYS 22 2HZ LYS 22 -2.317 -5.439 12.039
129 2HZ LYS 22 1HZ LYS 22 -2.724 -6.972 12.640
130 3HZ LYS 22 3HZ LYS 22 -1.768 -6.835 11.248
131 H SER 23 H SER 23 -5.948 -3.553 5.111
132 HA SER 23 HA SER 23 -5.615 -0.714 5.061
133 HG SER 23 HG SER 23 -5.079 -3.786 3.326
134 H ILE 24 H ILE 24 -8.260 -2.930 4.450
135 HA ILE 24 HA ILE 24 -10.037 -1.123 3.195
136 HB ILE 24 HB ILE 24 -10.655 -3.528 4.923
137 1HG2 ILE 24 2HG2 ILE 24 -12.386 -1.563 3.625
138 2HG2 ILE 24 3HG2 ILE 24 -12.763 -3.236 3.207
139 3HG2 ILE 24 1HG2 ILE 24 -12.745 -2.731 4.897
140 1HD1 ILE 24 1HD1 ILE 24 -11.154 -5.594 3.655
141 2HD1 ILE 24 2HD1 ILE 24 -12.140 -4.914 2.361
142 3HD1 ILE 24 3HD1 ILE 24 -10.628 -5.736 1.977
143 H GLN 25 H GLN 25 -9.638 -2.039 6.628
144 HA GLN 25 HA GLN 25 -11.663 -0.282 7.550
145 1HE2 GLN 25 1HE2 GLN 25 -8.504 -3.950 10.267
146 2HE2 GLN 25 2HE2 GLN 25 -8.271 -3.481 11.923
147 H TYR 26 H TYR 26 -8.165 0.090 7.153
148 HA TYR 26 HA TYR 26 -7.990 2.642 8.368
149 HD1 TYR 26 1HD TYR 26 -6.844 0.071 9.126
150 HD2 TYR 26 2HD TYR 26 -4.185 3.226 8.086
151 HE1 TYR 26 1HE TYR 26 -5.600 -0.294 11.217
152 HE2 TYR 26 2HE TYR 26 -2.936 2.867 10.169
153 HH TYR 26 HH TYR 26 -2.866 1.804 12.113
154 H ALA 27 H ALA 27 -8.734 1.589 5.100
155 HA ALA 27 HA ALA 27 -8.743 4.150 3.885
156 1HB ALA 27 3HB ALA 27 -8.812 1.748 2.844
157 2HB ALA 27 1HB ALA 27 -10.559 1.976 2.955
158 3HB ALA 27 2HB ALA 27 -9.579 3.105 2.017
159 H LYS 28 H LYS 28 -11.219 2.205 5.493
160 HA LYS 28 HA LYS 28 -13.407 3.923 5.001
161 1HZ LYS 28 1HZ LYS 28 -16.114 -0.625 8.826
162 2HZ LYS 28 3HZ LYS 28 -17.248 -0.909 7.593
163 3HZ LYS 28 2HZ LYS 28 -15.756 -1.718 7.579
164 H MET 29 H MET 29 -11.152 3.668 7.722
165 HA MET 29 HA MET 29 -12.383 5.731 9.253
166 1HE MET 29 1HE MET 29 -8.330 3.415 10.501
167 2HE MET 29 2HE MET 29 -7.932 2.214 11.731
168 3HE MET 29 3HE MET 29 -8.906 1.756 10.333
169 H GLY 30 H GLY 30 -9.772 5.645 6.924
170 1HA GLY 30 2HA GLY 30 -9.800 8.544 6.752
171 2HA GLY 30 1HA GLY 30 -8.912 7.439 5.711
172 H GLY 31 H GLY 31 -7.479 5.990 7.558
173 1HA GLY 31 2HA GLY 31 -6.103 6.542 9.570
174 2HA GLY 31 1HA GLY 31 -5.785 8.078 8.779
175 H ALA 32 H ALA 32 -5.125 7.493 6.281
176 HA ALA 32 HA ALA 32 -2.558 6.218 6.588
177 1HB ALA 32 3HB ALA 32 -4.329 5.119 4.425
178 2HB ALA 32 2HB ALA 32 -4.248 4.379 6.024
179 3HB ALA 32 1HB ALA 32 -2.796 4.485 5.028
180 H LYS 33 H LYS 33 -1.080 6.938 5.081
181 HA LYS 33 HA LYS 33 -1.869 9.295 3.624
182 1HZ LYS 33 2HZ LYS 33 -1.742 13.185 4.939
183 2HZ LYS 33 1HZ LYS 33 -1.530 13.667 6.551
184 3HZ LYS 33 3HZ LYS 33 -0.322 13.987 5.406
185 H LEU 34 H LEU 34 -0.421 6.156 2.773
186 HA LEU 34 HA LEU 34 -1.691 6.378 0.142
187 HG LEU 34 HG LEU 34 0.439 4.307 -1.141
188 1HD1 LEU 34 3HD1 LEU 34 -0.556 6.853 -2.382
189 2HD1 LEU 34 1HD1 LEU 34 -0.218 5.409 -3.336
190 3HD1 LEU 34 2HD1 LEU 34 -1.442 5.361 -2.064
191 1HD2 LEU 34 3HD2 LEU 34 2.371 6.491 -1.610
192 2HD2 LEU 34 1HD2 LEU 34 2.608 4.742 -1.600
193 3HD2 LEU 34 2HD2 LEU 34 1.908 5.530 -3.013
194 H ILE 35 H ILE 35 -2.722 4.538 -0.336
195 HA ILE 35 HA ILE 35 -1.902 2.104 1.110
196 HB ILE 35 HB ILE 35 -4.520 2.639 -0.311
197 1HG2 ILE 35 1HG2 ILE 35 -3.748 0.265 -0.283
198 2HG2 ILE 35 2HG2 ILE 35 -3.772 0.331 1.479
199 3HG2 ILE 35 3HG2 ILE 35 -5.267 0.539 0.568
200 1HD1 ILE 35 2HD1 ILE 35 -6.162 1.676 2.072
201 2HD1 ILE 35 3HD1 ILE 35 -6.154 3.138 3.059
202 3HD1 ILE 35 1HD1 ILE 35 -6.486 3.242 1.330
203 H ILE 36 H ILE 36 -0.985 0.493 0.009
204 HA ILE 36 HA ILE 36 -1.000 0.672 -2.935
205 HB ILE 36 HB ILE 36 1.121 -0.580 -1.179
206 1HG2 ILE 36 2HG2 ILE 36 0.598 -0.593 -4.050
207 2HG2 ILE 36 3HG2 ILE 36 2.231 -0.070 -3.637
208 3HG2 ILE 36 1HG2 ILE 36 1.640 -1.637 -3.083
209 1HD1 ILE 36 2HD1 ILE 36 3.354 0.527 -2.007
210 2HD1 ILE 36 3HD1 ILE 36 3.375 2.289 -2.084
211 3HD1 ILE 36 1HD1 ILE 36 3.125 1.477 -0.539
212 H VAL 37 H VAL 37 -1.891 -0.965 -4.004
213 HA VAL 37 HA VAL 37 -2.297 -3.511 -2.572
214 HB VAL 37 HB VAL 37 -4.408 -3.807 -3.825
215 1HG1 VAL 37 2HG1 VAL 37 -3.992 -1.578 -1.919
216 2HG1 VAL 37 3HG1 VAL 37 -5.563 -1.684 -2.713
217 3HG1 VAL 37 1HG1 VAL 37 -4.963 -3.043 -1.760
218 1HG2 VAL 37 3HG2 VAL 37 -3.730 -1.080 -4.883
219 2HG2 VAL 37 1HG2 VAL 37 -4.177 -2.533 -5.778
220 3HG2 VAL 37 2HG2 VAL 37 -5.392 -1.670 -4.834
221 H ALA 38 H ALA 38 -1.698 -5.349 -3.645
222 HA ALA 38 HA ALA 38 -0.108 -5.148 -6.012
223 1HB ALA 38 1HB ALA 38 0.564 -7.115 -5.234
224 2HB ALA 38 2HB ALA 38 -0.790 -7.175 -4.105
225 3HB ALA 38 3HB ALA 38 -0.979 -7.809 -5.740
226 H ARG 39 H ARG 39 -0.793 -4.998 -8.069
227 HA ARG 39 HA ARG 39 -3.505 -4.780 -8.683
228 HE ARG 39 HE ARG 39 -1.953 -4.130 -13.551
229 1HH1 ARG 39 2HH1 ARG 39 -1.049 -7.366 -12.524
230 2HH1 ARG 39 1HH1 ARG 39 -2.241 -8.151 -13.517
231 1HH2 ARG 39 2HH2 ARG 39 -3.498 -5.158 -14.873
232 2HH2 ARG 39 1HH2 ARG 39 -3.644 -6.895 -14.845
233 H ASN 40 H ASN 40 -1.430 -7.540 -8.655
234 HA ASN 40 HA ASN 40 -3.194 -9.204 -10.204
235 1HD2 ASN 40 1HD2 ASN 40 -0.467 -11.582 -11.153
236 2HD2 ASN 40 2HD2 ASN 40 0.301 -10.481 -12.251
237 H ALA 41 H ALA 41 -3.067 -8.169 -6.971
238 HA ALA 41 HA ALA 41 -4.055 -10.438 -5.611
239 1HB ALA 41 2HB ALA 41 -3.730 -7.577 -5.016
240 2HB ALA 41 3HB ALA 41 -5.015 -8.390 -4.122
241 3HB ALA 41 1HB ALA 41 -3.360 -8.992 -4.033
242 H ARG 42 H ARG 42 -6.208 -10.600 -4.610
243 HA ARG 42 HA ARG 42 -8.186 -10.979 -6.439
244 HE ARG 42 HE ARG 42 -6.743 -14.760 -5.064
245 1HH1 ARG 42 2HH1 ARG 42 -10.111 -14.511 -4.088
246 2HH1 ARG 42 1HH1 ARG 42 -10.121 -16.070 -3.311
247 1HH2 ARG 42 2HH2 ARG 42 -6.780 -16.814 -4.093
248 2HH2 ARG 42 1HH2 ARG 42 -8.228 -17.374 -3.310
249 HA PRO 43 HA PRO 43 -9.422 -6.965 -7.842
250 H ASP 44 H ASP 44 -11.659 -8.984 -5.965
251 HA ASP 44 HA ASP 44 -13.467 -6.958 -5.228
252 H ILE 45 H ILE 45 -10.556 -8.176 -3.659
253 HA ILE 45 HA ILE 45 -10.690 -6.659 -1.300
254 HB ILE 45 HB ILE 45 -8.301 -7.759 -2.787
255 1HG2 ILE 45 1HG2 ILE 45 -7.878 -5.777 -1.190
256 2HG2 ILE 45 2HG2 ILE 45 -8.232 -6.935 0.092
257 3HG2 ILE 45 3HG2 ILE 45 -6.893 -7.229 -1.018
258 1HD1 ILE 45 1HD1 ILE 45 -9.886 -7.812 0.454
259 2HD1 ILE 45 2HD1 ILE 45 -11.092 -8.922 -0.194
260 3HD1 ILE 45 3HD1 ILE 45 -9.726 -9.547 0.730
261 H LYS 46 H LYS 46 -9.013 -6.016 -4.375
262 HA LYS 46 HA LYS 46 -7.962 -3.516 -3.637
263 1HZ LYS 46 1HZ LYS 46 -5.998 -4.239 -9.629
264 2HZ LYS 46 3HZ LYS 46 -5.590 -5.887 -9.601
265 3HZ LYS 46 2HZ LYS 46 -7.064 -5.396 -10.267
266 H GLU 47 H GLU 47 -10.961 -4.370 -5.328
267 HA GLU 47 HA GLU 47 -11.839 -1.793 -5.879
268 H ASP 48 H ASP 48 -12.412 -3.796 -3.004
269 HA ASP 48 HA ASP 48 -14.145 -2.019 -1.675
270 H ILE 49 H ILE 49 -10.631 -2.432 -1.442
271 HA ILE 49 HA ILE 49 -10.184 -0.400 0.440
272 HB ILE 49 HB ILE 49 -8.316 -1.459 -1.683
273 1HG2 ILE 49 3HG2 ILE 49 -8.012 0.725 0.098
274 2HG2 ILE 49 1HG2 ILE 49 -6.959 -0.578 0.650
275 3HG2 ILE 49 2HG2 ILE 49 -6.821 0.028 -1.001
276 1HD1 ILE 49 3HD1 ILE 49 -6.365 -2.572 -0.211
277 2HD1 ILE 49 1HD1 ILE 49 -6.945 -3.798 0.915
278 3HD1 ILE 49 2HD1 ILE 49 -7.292 -3.949 -0.808
279 H GLU 50 H GLU 50 -9.875 -0.330 -3.111
280 HA GLU 50 HA GLU 50 -9.082 2.345 -3.307
281 H TYR 51 H TYR 51 -12.322 0.913 -3.394
282 HA TYR 51 HA TYR 51 -13.694 3.320 -3.965
283 HD1 TYR 51 1HD TYR 51 -16.778 0.762 -1.725
284 HD2 TYR 51 2HD TYR 51 -15.809 3.762 -4.580
285 HE1 TYR 51 1HE TYR 51 -19.003 1.755 -1.429
286 HE2 TYR 51 2HE TYR 51 -18.036 4.766 -4.291
287 HH TYR 51 HH TYR 51 -19.886 4.808 -2.958
288 H TYR 52 H TYR 52 -13.113 1.603 -0.896
289 HA TYR 52 HA TYR 52 -14.446 3.425 0.773
290 HD1 TYR 52 1HD TYR 52 -13.636 0.824 3.986
291 HD2 TYR 52 2HD TYR 52 -15.068 1.085 -0.012
292 HE1 TYR 52 1HE TYR 52 -15.467 -0.714 4.545
293 HE2 TYR 52 2HE TYR 52 -16.907 -0.455 0.539
294 HH TYR 52 HH TYR 52 -17.512 -2.108 2.120
295 H ALA 53 H ALA 53 -11.037 3.223 -0.158
296 HA ALA 53 HA ALA 53 -10.158 5.430 1.354
297 1HB ALA 53 3HB ALA 53 -8.309 4.349 0.707
298 2HB ALA 53 2HB ALA 53 -8.417 5.358 -0.735
299 3HB ALA 53 1HB ALA 53 -9.070 3.721 -0.755
300 H ARG 54 H ARG 54 -11.467 5.167 -1.914
301 HA ARG 54 HA ARG 54 -10.894 7.754 -2.811
302 HE ARG 54 HE ARG 54 -11.532 9.055 -7.310
303 1HH1 ARG 54 2HH1 ARG 54 -12.461 10.309 -4.175
304 2HH1 ARG 54 1HH1 ARG 54 -13.089 11.796 -4.815
305 1HH2 ARG 54 2HH2 ARG 54 -12.356 10.989 -8.158
306 2HH2 ARG 54 1HH2 ARG 54 -13.039 12.182 -7.086
307 H LEU 55 H LEU 55 -13.635 6.502 -0.977
308 HA LEU 55 HA LEU 55 -15.167 8.871 -0.959
309 HG LEU 55 HG LEU 55 -15.597 5.763 -1.196
310 1HD1 LEU 55 1HD1 LEU 55 -17.676 5.788 0.943
311 2HD1 LEU 55 2HD1 LEU 55 -18.001 4.957 -0.579
312 3HD1 LEU 55 3HD1 LEU 55 -16.622 4.476 0.413
313 1HD2 LEU 55 3HD2 LEU 55 -17.522 8.021 -1.176
314 2HD2 LEU 55 1HD2 LEU 55 -16.567 7.358 -2.503
315 3HD2 LEU 55 2HD2 LEU 55 -18.024 6.523 -1.962
316 H SER 56 H SER 56 -12.804 7.543 1.299
317 HA SER 56 HA SER 56 -13.126 9.643 3.202
318 HG SER 56 HG SER 56 -12.056 8.892 5.256
319 H GLY 57 H GLY 57 -10.881 9.005 0.569
320 1HA GLY 57 2HA GLY 57 -9.807 11.732 0.928
321 2HA GLY 57 1HA GLY 57 -9.960 10.921 -0.624
322 H ILE 58 H ILE 58 -8.961 8.389 0.210
323 HA ILE 58 HA ILE 58 -6.149 9.069 0.785
324 HB ILE 58 HB ILE 58 -7.547 6.425 1.240
325 1HG2 ILE 58 2HG2 ILE 58 -4.975 6.630 0.640
326 2HG2 ILE 58 3HG2 ILE 58 -4.861 7.027 2.356
327 3HG2 ILE 58 1HG2 ILE 58 -5.560 5.487 1.850
328 1HD1 ILE 58 3HD1 ILE 58 -7.490 5.684 3.537
329 2HD1 ILE 58 1HD1 ILE 58 -6.333 6.598 4.504
330 3HD1 ILE 58 2HD1 ILE 58 -8.063 6.876 4.707
331 HA PRO 59 HA PRO 59 -5.514 7.767 -3.438
332 H VAL 60 H VAL 60 -5.366 5.801 -4.292
333 HA VAL 60 HA VAL 60 -3.901 3.721 -2.793
334 HB VAL 60 HB VAL 60 -6.345 3.297 -4.531
335 1HG1 VAL 60 2HG1 VAL 60 -4.691 1.433 -4.473
336 2HG1 VAL 60 3HG1 VAL 60 -4.936 1.336 -2.729
337 3HG1 VAL 60 1HG1 VAL 60 -6.277 1.012 -3.827
338 1HG2 VAL 60 3HG2 VAL 60 -6.103 4.047 -1.765
339 2HG2 VAL 60 1HG2 VAL 60 -7.552 3.852 -2.754
340 3HG2 VAL 60 2HG2 VAL 60 -6.863 2.463 -1.914
341 H TYR 61 H TYR 61 -2.256 2.851 -3.858
342 HA TYR 61 HA TYR 61 -2.083 3.293 -6.765
343 HD1 TYR 61 1HD TYR 61 -0.191 4.169 -8.175
344 HD2 TYR 61 2HD TYR 61 1.784 1.404 -5.615
345 HE1 TYR 61 1HE TYR 61 1.317 3.552 -10.013
346 HE2 TYR 61 2HE TYR 61 3.297 0.781 -7.449
347 HH TYR 61 HH TYR 61 3.875 2.485 -10.028
348 H GLU 62 H GLU 62 -2.151 1.595 -8.111
349 HA GLU 62 HA GLU 62 -2.274 -1.081 -6.971
350 H PHE 63 H PHE 63 -0.508 -2.041 -6.521
351 HA PHE 63 HA PHE 63 2.078 -1.391 -7.443
352 HD1 PHE 63 1HD PHE 63 4.016 -1.701 -6.101
353 HD2 PHE 63 2HD PHE 63 2.489 -5.670 -6.169
354 HE1 PHE 63 1HE PHE 63 6.307 -2.580 -5.979
355 HE2 PHE 63 2HE PHE 63 4.778 -6.561 -6.054
356 HZ PHE 63 HZ PHE 63 6.685 -5.003 -5.932
357 H GLU 64 H GLU 64 3.070 -1.954 -9.303
358 HA GLU 64 HA GLU 64 1.771 -3.700 -11.183
359 H GLY 65 H GLY 65 1.901 -5.335 -9.315
360 1HA GLY 65 2HA GLY 65 4.182 -6.608 -8.498
361 2HA GLY 65 1HA GLY 65 3.767 -7.377 -10.025
362 H THR 66 H THR 66 3.449 -9.305 -8.784
363 HA THR 66 HA THR 66 0.700 -9.598 -8.005
364 HB THR 66 HB THR 66 1.865 -11.330 -9.367
365 HG1 THR 66 1HG THR 66 0.512 -12.730 -8.538
366 1HG2 THR 66 3HG2 THR 66 4.003 -11.145 -7.923
367 2HG2 THR 66 2HG2 THR 66 3.188 -12.291 -6.858
368 3HG2 THR 66 1HG2 THR 66 3.524 -12.729 -8.533
369 H SER 67 H SER 67 0.320 -11.084 -6.021
370 HA SER 67 HA SER 67 0.862 -9.600 -3.725
371 HG SER 67 HG SER 67 -0.052 -10.422 -1.953
372 H VAL 68 H VAL 68 2.496 -12.387 -5.111
373 HA VAL 68 HA VAL 68 4.196 -12.971 -2.931
374 HB VAL 68 HB VAL 68 4.829 -13.406 -5.853
375 1HG1 VAL 68 2HG1 VAL 68 6.618 -13.725 -4.068
376 2HG1 VAL 68 3HG1 VAL 68 5.663 -15.103 -3.521
377 3HG1 VAL 68 1HG1 VAL 68 6.319 -15.078 -5.157
378 1HG2 VAL 68 1HG2 VAL 68 2.556 -14.279 -4.775
379 2HG2 VAL 68 2HG2 VAL 68 3.471 -15.219 -5.952
380 3HG2 VAL 68 3HG2 VAL 68 3.627 -15.571 -4.230
381 H GLU 69 H GLU 69 4.664 -10.980 -5.827
382 HA GLU 69 HA GLU 69 7.313 -10.223 -5.327
383 H LEU 70 H LEU 70 4.247 -8.674 -4.453
384 HA LEU 70 HA LEU 70 5.432 -6.414 -3.219
385 HG LEU 70 HG LEU 70 3.300 -5.946 -0.985
386 1HD1 LEU 70 3HD1 LEU 70 4.706 -4.738 -3.015
387 2HD1 LEU 70 1HD1 LEU 70 3.304 -3.686 -2.809
388 3HD1 LEU 70 2HD1 LEU 70 4.353 -4.037 -1.434
389 1HD2 LEU 70 1HD2 LEU 70 0.989 -6.179 -1.876
390 2HD2 LEU 70 2HD2 LEU 70 1.362 -4.567 -1.266
391 3HD2 LEU 70 3HD2 LEU 70 1.341 -4.870 -3.004
392 H GLY 71 H GLY 71 4.578 -9.630 -2.093
393 1HA GLY 71 2HA GLY 71 5.139 -10.769 -0.180
394 2HA GLY 71 1HA GLY 71 5.031 -9.238 0.676
395 H THR 72 H THR 72 7.175 -10.237 -1.967
396 HA THR 72 HA THR 72 9.497 -10.572 -0.382
397 HB THR 72 HB THR 72 9.538 -9.736 -3.275
398 HG1 THR 72 1HG THR 72 8.562 -12.102 -2.119
399 1HG2 THR 72 1HG2 THR 72 11.443 -10.763 -1.375
400 2HG2 THR 72 3HG2 THR 72 11.288 -11.865 -2.746
401 3HG2 THR 72 2HG2 THR 72 11.710 -10.171 -3.016
402 H LEU 73 H LEU 73 8.185 -7.859 -2.232
403 HA LEU 73 HA LEU 73 10.311 -6.061 -1.897
404 HG LEU 73 HG LEU 73 8.184 -3.552 -3.662
405 1HD1 LEU 73 2HD1 LEU 73 8.358 -3.135 -1.141
406 2HD1 LEU 73 3HD1 LEU 73 10.098 -3.278 -1.386
407 3HD1 LEU 73 1HD1 LEU 73 9.183 -2.034 -2.241
408 1HD2 LEU 73 1HD2 LEU 73 10.185 -5.219 -4.235
409 2HD2 LEU 73 2HD2 LEU 73 10.232 -3.496 -4.613
410 3HD2 LEU 73 3HD2 LEU 73 11.044 -4.103 -3.172
411 H LEU 74 H LEU 74 7.336 -6.496 -0.007
412 HA LEU 74 HA LEU 74 7.919 -4.452 1.854
413 HG LEU 74 HG LEU 74 6.359 -5.265 4.243
414 1HD1 LEU 74 2HD1 LEU 74 5.527 -3.268 2.168
415 2HD1 LEU 74 3HD1 LEU 74 5.210 -3.001 3.884
416 3HD1 LEU 74 1HD1 LEU 74 6.868 -3.191 3.313
417 1HD2 LEU 74 3HD2 LEU 74 4.130 -6.405 3.326
418 2HD2 LEU 74 1HD2 LEU 74 4.159 -5.388 4.768
419 3HD2 LEU 74 2HD2 LEU 74 3.639 -4.713 3.223
420 H GLY 75 H GLY 75 8.653 -7.873 1.751
421 1HA GLY 75 2HA GLY 75 10.430 -7.489 4.046
422 2HA GLY 75 1HA GLY 75 10.475 -8.831 2.912
423 H ARG 76 H ARG 76 8.120 -9.953 2.925
424 HA ARG 76 HA ARG 76 7.858 -10.891 5.680
425 HE ARG 76 HE ARG 76 3.348 -10.971 4.167
426 1HH1 ARG 76 2HH1 ARG 76 1.492 -9.711 6.846
427 2HH1 ARG 76 1HH1 ARG 76 -0.023 -9.753 5.997
428 1HH2 ARG 76 2HH2 ARG 76 1.357 -11.024 3.032
429 2HH2 ARG 76 1HH2 ARG 76 -0.091 -10.483 3.817
430 HA PRO 77 HA PRO 77 7.804 -14.709 3.369
431 H HIS 78 H HIS 78 5.427 -13.218 3.364
432 HA HIS 78 HA HIS 78 3.476 -15.293 2.990
433 HD1 HIS 78 1HD HIS 78 1.690 -16.680 4.363
434 HD2 HIS 78 2HD HIS 78 3.835 -14.727 7.356
435 HE1 HIS 78 1HE HIS 78 1.940 -18.353 6.232
436 HE2 HIS 78 2HE HIS 78 3.329 -17.188 7.987
437 H THR 79 H THR 79 2.291 -14.767 1.265
438 HA THR 79 HA THR 79 2.875 -12.629 -0.358
439 HB THR 79 HB THR 79 0.591 -13.126 -1.421
440 HG1 THR 79 1HG THR 79 -0.643 -14.126 0.036
441 1HG2 THR 79 2HG2 THR 79 2.850 -15.048 -1.086
442 2HG2 THR 79 1HG2 THR 79 1.418 -15.552 -1.982
443 3HG2 THR 79 3HG2 THR 79 2.343 -14.149 -2.515
444 H VAL 80 H VAL 80 2.457 -10.519 -0.274
445 HA VAL 80 HA VAL 80 0.464 -9.554 1.637
446 HB VAL 80 HB VAL 80 2.512 -7.996 0.041
447 1HG1 VAL 80 3HG1 VAL 80 0.687 -7.137 2.284
448 2HG1 VAL 80 1HG1 VAL 80 1.978 -6.156 1.589
449 3HG1 VAL 80 2HG1 VAL 80 0.594 -6.621 0.599
450 1HG2 VAL 80 1HG2 VAL 80 2.867 -9.635 2.283
451 2HG2 VAL 80 2HG2 VAL 80 4.010 -8.467 1.614
452 3HG2 VAL 80 3HG2 VAL 80 2.891 -7.978 2.887
453 H SER 81 H SER 81 -1.515 -9.106 0.960
454 HA SER 81 HA SER 81 -2.089 -8.889 -1.860
455 HG SER 81 HG SER 81 -3.415 -10.890 -0.959
456 H ALA 82 H ALA 82 -2.066 -6.796 0.966
457 HA ALA 82 HA ALA 82 -1.754 -4.438 -0.643
458 1HB ALA 82 1HB ALA 82 -4.218 -4.865 -0.694
459 2HB ALA 82 2HB ALA 82 -4.232 -4.657 1.059
460 3HB ALA 82 3HB ALA 82 -3.762 -3.313 0.016
461 H LEU 83 H LEU 83 -1.169 -2.604 0.599
462 HA LEU 83 HA LEU 83 -0.864 -2.958 3.480
463 HG LEU 83 HG LEU 83 1.104 -2.360 0.443
464 1HD1 LEU 83 3HD1 LEU 83 1.770 -0.411 2.199
465 2HD1 LEU 83 1HD1 LEU 83 3.364 -0.936 1.656
466 3HD1 LEU 83 2HD1 LEU 83 2.167 -0.386 0.482
467 1HD2 LEU 83 3HD2 LEU 83 3.349 -3.672 1.876
468 2HD2 LEU 83 1HD2 LEU 83 2.568 -4.104 0.354
469 3HD2 LEU 83 2HD2 LEU 83 3.703 -2.755 0.411
470 H ALA 84 H ALA 84 -0.976 -1.076 4.610
471 HA ALA 84 HA ALA 84 -1.503 1.330 3.007
472 1HB ALA 84 1HB ALA 84 -2.251 1.097 5.890
473 2HB ALA 84 3HB ALA 84 -3.212 0.261 4.667
474 3HB ALA 84 2HB ALA 84 -3.026 2.015 4.598
475 H VAL 85 H VAL 85 0.114 2.723 2.914
476 HA VAL 85 HA VAL 85 2.168 2.825 4.959
477 HB VAL 85 HB VAL 85 1.773 4.646 2.571
478 1HG1 VAL 85 1HG1 VAL 85 3.933 4.346 4.614
479 2HG1 VAL 85 2HG1 VAL 85 4.339 4.863 2.978
480 3HG1 VAL 85 3HG1 VAL 85 3.214 5.813 3.946
481 1HG2 VAL 85 1HG2 VAL 85 2.377 1.960 2.508
482 2HG2 VAL 85 2HG2 VAL 85 2.733 3.134 1.239
483 3HG2 VAL 85 3HG2 VAL 85 3.961 2.733 2.441
484 H VAL 86 H VAL 86 1.532 3.709 6.820
485 HA VAL 86 HA VAL 86 -0.373 5.904 6.847
486 HB VAL 86 HB VAL 86 0.955 4.536 9.193
487 1HG1 VAL 86 1HG1 VAL 86 -0.356 6.888 9.223
488 2HG1 VAL 86 2HG1 VAL 86 -1.705 5.772 9.445
489 3HG1 VAL 86 3HG1 VAL 86 -0.349 5.749 10.570
490 1HG2 VAL 86 1HG2 VAL 86 -0.535 3.172 7.516
491 2HG2 VAL 86 2HG2 VAL 86 -0.708 2.963 9.260
492 3HG2 VAL 86 3HG2 VAL 86 -1.850 3.973 8.376
493 H ASP 87 H ASP 87 2.950 5.250 7.893
494 HA ASP 87 HA ASP 87 3.378 8.164 8.022
495 HA PRO 88 HA PRO 88 6.302 6.893 4.857
496 H GLY 89 H GLY 89 7.357 7.381 7.369
497 1HA GLY 89 2HA GLY 89 9.232 8.122 8.450
498 2HA GLY 89 1HA GLY 89 8.982 9.640 7.604
499 H GLU 90 H GLU 90 10.682 10.278 6.570
500 HA GLU 90 HA GLU 90 12.510 10.356 5.232
501 H SER 91 H SER 91 10.472 9.338 3.764
502 HA SER 91 HA SER 91 11.910 7.609 1.927
503 HG SER 91 HG SER 91 9.390 7.018 4.383
504 H ARG 92 H ARG 92 11.176 7.715 -0.207
505 HA ARG 92 HA ARG 92 9.464 10.037 -0.742
506 HE ARG 92 HE ARG 92 12.283 10.941 -4.792
507 1HH1 ARG 92 2HH1 ARG 92 12.671 12.802 -1.838
508 2HH1 ARG 92 1HH1 ARG 92 11.800 14.176 -2.451
509 1HH2 ARG 92 2HH2 ARG 92 11.145 12.752 -5.585
510 2HH2 ARG 92 1HH2 ARG 92 10.969 14.164 -4.586
511 H ILE 93 H ILE 93 8.196 7.745 0.172
512 HA ILE 93 HA ILE 93 7.247 6.112 -1.945
513 HB ILE 93 HB ILE 93 7.237 5.416 0.438
514 1HG2 ILE 93 1HG2 ILE 93 6.487 7.536 1.411
515 2HG2 ILE 93 2HG2 ILE 93 4.885 7.279 0.719
516 3HG2 ILE 93 3HG2 ILE 93 5.505 6.174 1.946
517 1HD1 ILE 93 2HD1 ILE 93 6.940 4.176 -1.726
518 2HD1 ILE 93 3HD1 ILE 93 6.095 2.902 -0.844
519 3HD1 ILE 93 1HD1 ILE 93 5.321 3.681 -2.224
520 H LEU 94 H LEU 94 6.238 9.155 -0.599
521 HA LEU 94 HA LEU 94 3.640 9.209 -1.773
522 HG LEU 94 HG LEU 94 4.826 9.916 1.049
523 1HD1 LEU 94 1HD1 LEU 94 4.073 12.683 0.903
524 2HD1 LEU 94 2HD1 LEU 94 3.045 11.821 2.047
525 3HD1 LEU 94 3HD1 LEU 94 4.797 11.785 2.236
526 1HD2 LEU 94 1HD2 LEU 94 1.957 10.427 0.277
527 2HD2 LEU 94 2HD2 LEU 94 2.828 8.903 0.101
528 3HD2 LEU 94 3HD2 LEU 94 2.501 9.551 1.708
529 H ALA 95 H ALA 95 6.622 9.305 -3.192
530 HA ALA 95 HA ALA 95 6.358 11.344 -5.130
531 1HB ALA 95 2HB ALA 95 8.369 10.653 -5.794
532 2HB ALA 95 1HB ALA 95 7.800 9.007 -6.072
533 3HB ALA 95 3HB ALA 95 8.300 9.506 -4.454
534 H LEU 96 H LEU 96 5.329 7.978 -5.028
535 HA LEU 96 HA LEU 96 4.443 7.844 -7.724
536 HG LEU 96 HG LEU 96 5.748 5.777 -7.428
537 1HD1 LEU 96 2HD1 LEU 96 5.615 5.856 -4.476
538 2HD1 LEU 96 3HD1 LEU 96 6.720 4.683 -5.194
539 3HD1 LEU 96 1HD1 LEU 96 6.886 6.398 -5.572
540 1HD2 LEU 96 3HD2 LEU 96 3.818 3.847 -6.662
541 2HD2 LEU 96 1HD2 LEU 96 5.225 3.649 -7.706
542 3HD2 LEU 96 2HD2 LEU 96 5.372 3.384 -5.968
543 H GLY 97 H GLY 97 3.019 8.920 -4.741
544 1HA GLY 97 2HA GLY 97 0.907 10.261 -6.136
545 2HA GLY 97 1HA GLY 97 1.165 10.243 -4.399
546 H GLY 98 H GLY 98 0.086 8.119 -7.043
547 1HA GLY 98 2HA GLY 98 -2.292 7.424 -5.570
548 2HA GLY 98 1HA GLY 98 -1.133 6.106 -5.680
549 H LYS 99 H LYS 99 -3.886 6.879 -6.911
550 HA LYS 99 HA LYS 99 -3.552 5.441 -9.326
551 1HZ LYS 99 1HZ LYS 99 -9.975 7.253 -10.719
552 2HZ LYS 99 3HZ LYS 99 -10.341 6.266 -12.047
553 3HZ LYS 99 2HZ LYS 99 -10.429 5.639 -10.471
554 H GLU 100 H GLU 100 -4.162 8.878 -8.658
555 HA GLU 100 HA GLU 100 -2.762 9.776 -10.969
No H/Q in entry = 555
Start of MODEL 5
1 H1 GLY -2 2H GLY -2 8.561 2.144 -16.759
2 H2 GLY -2 1H GLY -2 8.458 0.576 -17.400
3 H3 GLY -2 3H GLY -2 7.070 1.338 -16.792
4 1HA GLY -2 1HA GLY -2 9.355 0.202 -15.324
5 2HA GLY -2 2HA GLY -2 7.639 -0.116 -15.108
6 H SER -1 H SER -1 7.311 0.464 -13.035
7 HA SER -1 HA SER -1 7.390 3.274 -12.395
8 HG SER -1 HG SER -1 4.544 1.306 -11.410
9 H VAL 1 H VAL 1 9.929 2.541 -12.861
10 HA VAL 1 HA VAL 1 12.050 2.530 -12.047
11 HB VAL 1 HB VAL 1 11.002 3.787 -9.520
12 1HG1 VAL 1 2HG1 VAL 1 13.549 3.307 -10.473
13 2HG1 VAL 1 3HG1 VAL 1 13.279 5.010 -10.846
14 3HG1 VAL 1 1HG1 VAL 1 13.111 4.432 -9.188
15 1HG2 VAL 1 1HG2 VAL 1 10.504 4.712 -12.191
16 2HG2 VAL 1 2HG2 VAL 1 9.986 5.404 -10.654
17 3HG2 VAL 1 3HG2 VAL 1 11.550 5.849 -11.340
18 H ASP 2 H ASP 2 11.771 2.602 -8.785
19 HA ASP 2 HA ASP 2 11.122 -0.049 -8.090
20 H PHE 3 H PHE 3 10.581 0.002 -5.993
21 HA PHE 3 HA PHE 3 11.674 2.203 -4.370
22 HD1 PHE 3 1HD PHE 3 8.899 -0.462 -3.503
23 HD2 PHE 3 2HD PHE 3 7.632 2.610 -6.171
24 HE1 PHE 3 1HE PHE 3 7.023 -1.862 -4.208
25 HE2 PHE 3 2HE PHE 3 5.751 1.204 -6.889
26 HZ PHE 3 HZ PHE 3 5.444 -1.028 -5.912
27 H ALA 4 H ALA 4 12.486 -0.563 -4.450
28 HA ALA 4 HA ALA 4 11.362 -2.052 -2.352
29 1HB ALA 4 1HB ALA 4 13.948 -2.097 -3.820
30 2HB ALA 4 2HB ALA 4 13.831 -3.008 -2.313
31 3HB ALA 4 3HB ALA 4 12.725 -3.356 -3.642
32 H PHE 5 H PHE 5 14.198 0.078 -2.415
33 HA PHE 5 HA PHE 5 14.758 -0.090 0.351
34 HD1 PHE 5 1HD PHE 5 16.442 0.212 1.468
35 HD2 PHE 5 2HD PHE 5 16.811 3.858 -0.697
36 HE1 PHE 5 1HE PHE 5 17.769 1.165 3.306
37 HE2 PHE 5 2HE PHE 5 18.142 4.814 1.138
38 HZ PHE 5 HZ PHE 5 18.621 3.467 3.141
39 H GLU 6 H GLU 6 12.851 2.188 -1.583
40 HA GLU 6 HA GLU 6 12.267 3.996 0.475
41 H LEU 7 H LEU 7 10.406 1.170 -0.650
42 HA LEU 7 HA LEU 7 8.270 1.503 1.150
43 HG LEU 7 HG LEU 7 7.553 -1.487 1.660
44 1HD1 LEU 7 1HD1 LEU 7 6.549 0.871 1.226
45 2HD1 LEU 7 2HD1 LEU 7 5.615 0.046 -0.019
46 3HD1 LEU 7 3HD1 LEU 7 5.483 -0.463 1.663
47 1HD2 LEU 7 2HD2 LEU 7 7.718 -2.792 -0.478
48 2HD2 LEU 7 3HD2 LEU 7 6.132 -2.806 0.292
49 3HD2 LEU 7 1HD2 LEU 7 6.421 -1.777 -1.111
50 H ARG 8 H ARG 8 11.308 -0.306 1.408
51 HA ARG 8 HA ARG 8 10.819 -1.398 3.982
52 HE ARG 8 HE ARG 8 12.816 -5.066 1.359
53 1HH1 ARG 8 2HH1 ARG 8 15.463 -3.304 -0.122
54 2HH1 ARG 8 1HH1 ARG 8 15.761 -4.529 -1.323
55 1HH2 ARG 8 2HH2 ARG 8 13.264 -6.702 -0.146
56 2HH2 ARG 8 1HH2 ARG 8 14.525 -6.476 -1.326
57 H LYS 9 H LYS 9 12.312 1.595 2.879
58 HA LYS 9 HA LYS 9 13.128 2.607 5.378
59 1HZ LYS 9 3HZ LYS 9 14.850 7.747 1.679
60 2HZ LYS 9 2HZ LYS 9 16.225 6.871 1.219
61 3HZ LYS 9 1HZ LYS 9 14.734 6.570 0.459
62 H ALA 10 H ALA 10 10.105 2.902 3.563
63 HA ALA 10 HA ALA 10 8.810 4.723 5.261
64 1HB ALA 10 3HB ALA 10 6.702 3.741 4.239
65 2HB ALA 10 1HB ALA 10 7.885 4.412 3.116
66 3HB ALA 10 2HB ALA 10 7.766 2.665 3.333
67 H GLN 11 H GLN 11 8.906 1.192 5.242
68 HA GLN 11 HA GLN 11 7.095 0.773 7.372
69 1HE2 GLN 11 1HE2 GLN 11 8.757 -2.157 3.489
70 2HE2 GLN 11 2HE2 GLN 11 8.673 -3.859 3.774
71 H ASP 12 H ASP 12 10.522 1.434 7.240
72 HA ASP 12 HA ASP 12 10.995 0.841 9.993
73 H THR 13 H THR 13 10.871 3.889 8.135
74 HA THR 13 HA THR 13 11.230 5.437 10.532
75 HB THR 13 HB THR 13 10.954 7.410 9.011
76 HG1 THR 13 1HG THR 13 10.818 5.387 6.992
77 1HG2 THR 13 3HG2 THR 13 12.991 5.275 8.652
78 2HG2 THR 13 2HG2 THR 13 13.010 6.641 7.538
79 3HG2 THR 13 1HG2 THR 13 13.172 6.914 9.272
80 H GLY 14 H GLY 14 8.596 5.251 8.132
81 1HA GLY 14 2HA GLY 14 6.451 6.138 8.288
82 2HA GLY 14 1HA GLY 14 6.824 6.702 9.911
83 H LYS 15 H LYS 15 4.897 4.698 8.258
84 HA LYS 15 HA LYS 15 4.986 2.380 9.958
85 1HZ LYS 15 2HZ LYS 15 2.024 1.225 13.895
86 2HZ LYS 15 1HZ LYS 15 0.611 0.894 13.012
87 3HZ LYS 15 3HZ LYS 15 1.349 -0.331 13.926
88 H ILE 16 H ILE 16 4.412 0.724 8.747
89 HA ILE 16 HA ILE 16 2.469 1.154 6.565
90 HB ILE 16 HB ILE 16 4.795 -0.783 6.557
91 1HG2 ILE 16 1HG2 ILE 16 2.502 -1.193 5.282
92 2HG2 ILE 16 2HG2 ILE 16 3.272 -0.134 4.098
93 3HG2 ILE 16 3HG2 ILE 16 4.061 -1.634 4.587
94 1HD1 ILE 16 3HD1 ILE 16 3.456 1.650 4.182
95 2HD1 ILE 16 1HD1 ILE 16 3.856 2.828 5.432
96 3HD1 ILE 16 2HD1 ILE 16 4.924 2.620 4.044
97 H VAL 17 H VAL 17 0.705 -0.117 6.663
98 HA VAL 17 HA VAL 17 0.702 -2.282 8.650
99 HB VAL 17 HB VAL 17 -1.626 -0.881 7.322
100 1HG1 VAL 17 3HG1 VAL 17 -1.437 -3.266 9.058
101 2HG1 VAL 17 1HG1 VAL 17 -2.697 -2.100 9.467
102 3HG1 VAL 17 2HG1 VAL 17 -2.655 -2.826 7.859
103 1HG2 VAL 17 2HG2 VAL 17 -0.419 0.552 8.878
104 2HG2 VAL 17 3HG2 VAL 17 -1.996 0.111 9.530
105 3HG2 VAL 17 1HG2 VAL 17 -0.540 -0.684 10.130
106 H MET 18 H MET 18 1.008 -4.249 7.915
107 HA MET 18 HA MET 18 0.623 -4.892 5.131
108 1HE MET 18 3HE MET 18 1.871 -7.735 8.516
109 2HE MET 18 1HE MET 18 1.514 -9.461 8.463
110 3HE MET 18 2HE MET 18 3.138 -8.909 8.873
111 H GLY 19 H GLY 19 -1.258 -5.606 4.354
112 1HA GLY 19 2HA GLY 19 -3.276 -6.655 6.176
113 2HA GLY 19 1HA GLY 19 -2.675 -7.776 4.961
114 H ALA 20 H ALA 20 -4.097 -7.965 3.365
115 HA ALA 20 HA ALA 20 -4.814 -5.778 1.723
116 1HB ALA 20 1HB ALA 20 -5.171 -7.495 0.355
117 2HB ALA 20 3HB ALA 20 -6.650 -7.853 1.250
118 3HB ALA 20 2HB ALA 20 -5.133 -8.629 1.707
119 H ARG 21 H ARG 21 -6.810 -7.768 3.890
120 HA ARG 21 HA ARG 21 -9.082 -6.084 3.697
121 HE ARG 21 HE ARG 21 -7.962 -10.923 7.956
122 1HH1 ARG 21 2HH1 ARG 21 -7.370 -10.734 4.500
123 2HH1 ARG 21 1HH1 ARG 21 -5.941 -11.721 4.568
124 1HH2 ARG 21 2HH2 ARG 21 -6.102 -12.228 8.044
125 2HH2 ARG 21 1HH2 ARG 21 -5.216 -12.577 6.584
126 H LYS 22 H LYS 22 -6.267 -6.083 5.724
127 HA LYS 22 HA LYS 22 -7.272 -4.393 7.768
128 1HZ LYS 22 3HZ LYS 22 -5.913 -5.358 10.695
129 2HZ LYS 22 2HZ LYS 22 -4.944 -6.103 11.875
130 3HZ LYS 22 1HZ LYS 22 -5.070 -4.415 11.825
131 H SER 23 H SER 23 -5.716 -3.818 4.664
132 HA SER 23 HA SER 23 -5.387 -1.029 4.931
133 HG SER 23 HG SER 23 -3.969 -3.366 3.512
134 H ILE 24 H ILE 24 -8.089 -3.051 3.951
135 HA ILE 24 HA ILE 24 -9.827 -1.031 3.006
136 HB ILE 24 HB ILE 24 -10.622 -3.579 4.431
137 1HG2 ILE 24 3HG2 ILE 24 -12.243 -1.558 3.818
138 2HG2 ILE 24 1HG2 ILE 24 -12.237 -2.379 2.257
139 3HG2 ILE 24 2HG2 ILE 24 -12.749 -3.244 3.707
140 1HD1 ILE 24 1HD1 ILE 24 -11.494 -5.256 2.942
141 2HD1 ILE 24 2HD1 ILE 24 -11.539 -4.853 1.225
142 3HD1 ILE 24 3HD1 ILE 24 -10.205 -5.812 1.869
143 H GLN 25 H GLN 25 -9.243 -2.404 6.204
144 HA GLN 25 HA GLN 25 -11.242 -1.014 7.609
145 1HE2 GLN 25 1HE2 GLN 25 -8.474 -1.280 12.032
146 2HE2 GLN 25 2HE2 GLN 25 -8.582 -2.859 12.746
147 H TYR 26 H TYR 26 -7.837 -0.229 6.979
148 HA TYR 26 HA TYR 26 -7.866 2.211 8.432
149 HD1 TYR 26 1HD TYR 26 -6.294 -0.612 8.536
150 HD2 TYR 26 2HD TYR 26 -4.384 3.189 8.601
151 HE1 TYR 26 1HE TYR 26 -5.027 -1.287 10.531
152 HE2 TYR 26 2HE TYR 26 -3.115 2.522 10.597
153 HH TYR 26 HH TYR 26 -3.803 -0.453 12.300
154 H ALA 27 H ALA 27 -8.654 1.353 5.134
155 HA ALA 27 HA ALA 27 -8.844 3.979 4.090
156 1HB ALA 27 3HB ALA 27 -9.872 1.301 3.293
157 2HB ALA 27 2HB ALA 27 -8.846 2.427 2.404
158 3HB ALA 27 1HB ALA 27 -10.578 2.730 2.539
159 H LYS 28 H LYS 28 -11.080 1.870 5.801
160 HA LYS 28 HA LYS 28 -13.385 3.496 5.557
161 1HZ LYS 28 1HZ LYS 28 -14.318 -3.021 6.945
162 2HZ LYS 28 3HZ LYS 28 -15.980 -2.770 6.706
163 3HZ LYS 28 2HZ LYS 28 -15.056 -3.525 5.503
164 H MET 29 H MET 29 -10.969 3.177 8.150
165 HA MET 29 HA MET 29 -12.231 5.105 9.811
166 1HE MET 29 2HE MET 29 -8.743 5.118 12.296
167 2HE MET 29 3HE MET 29 -8.125 3.924 13.438
168 3HE MET 29 1HE MET 29 -7.004 4.927 12.516
169 H GLY 30 H GLY 30 -9.624 5.286 7.456
170 1HA GLY 30 2HA GLY 30 -9.854 8.181 7.415
171 2HA GLY 30 1HA GLY 30 -8.894 7.193 6.327
172 H GLY 31 H GLY 31 -6.951 8.222 6.492
173 1HA GLY 31 2HA GLY 31 -5.587 7.923 9.072
174 2HA GLY 31 1HA GLY 31 -5.662 9.527 8.360
175 H ALA 32 H ALA 32 -5.213 6.422 6.754
176 HA ALA 32 HA ALA 32 -2.435 6.496 6.514
177 1HB ALA 32 2HB ALA 32 -4.149 5.225 4.415
178 2HB ALA 32 1HB ALA 32 -4.113 4.577 6.057
179 3HB ALA 32 3HB ALA 32 -2.627 4.663 5.108
180 H LYS 33 H LYS 33 -1.045 7.349 5.066
181 HA LYS 33 HA LYS 33 -1.903 9.576 3.505
182 1HZ LYS 33 1HZ LYS 33 0.627 11.999 7.318
183 2HZ LYS 33 3HZ LYS 33 2.065 11.404 6.638
184 3HZ LYS 33 2HZ LYS 33 1.850 13.072 6.849
185 H LEU 34 H LEU 34 -0.759 6.312 2.758
186 HA LEU 34 HA LEU 34 -1.951 6.512 0.089
187 HG LEU 34 HG LEU 34 -0.188 4.416 -1.282
188 1HD1 LEU 34 3HD1 LEU 34 -0.545 7.233 -2.141
189 2HD1 LEU 34 1HD1 LEU 34 -0.124 6.037 -3.364
190 3HD1 LEU 34 2HD1 LEU 34 -1.582 5.831 -2.395
191 1HD2 LEU 34 3HD2 LEU 34 2.275 4.884 -0.976
192 2HD2 LEU 34 1HD2 LEU 34 1.741 4.589 -2.634
193 3HD2 LEU 34 2HD2 LEU 34 2.064 6.236 -2.091
194 H ILE 35 H ILE 35 -2.457 4.420 -0.831
195 HA ILE 35 HA ILE 35 -1.972 2.133 0.962
196 HB ILE 35 HB ILE 35 -4.577 2.664 -0.485
197 1HG2 ILE 35 1HG2 ILE 35 -3.432 0.211 0.755
198 2HG2 ILE 35 2HG2 ILE 35 -5.164 0.507 0.923
199 3HG2 ILE 35 3HG2 ILE 35 -4.439 0.387 -0.681
200 1HD1 ILE 35 1HD1 ILE 35 -6.472 2.335 1.012
201 2HD1 ILE 35 2HD1 ILE 35 -6.115 1.916 2.687
202 3HD1 ILE 35 3HD1 ILE 35 -6.409 3.595 2.242
203 H ILE 36 H ILE 36 -0.963 0.516 -0.072
204 HA ILE 36 HA ILE 36 -0.892 0.635 -3.013
205 HB ILE 36 HB ILE 36 1.097 -0.611 -1.104
206 1HG2 ILE 36 2HG2 ILE 36 0.713 -1.662 -3.447
207 2HG2 ILE 36 3HG2 ILE 36 1.560 -0.234 -4.038
208 3HG2 ILE 36 1HG2 ILE 36 2.360 -1.330 -2.909
209 1HD1 ILE 36 2HD1 ILE 36 3.353 0.234 -1.701
210 2HD1 ILE 36 3HD1 ILE 36 3.506 1.719 -2.642
211 3HD1 ILE 36 1HD1 ILE 36 3.303 1.801 -0.891
212 H VAL 37 H VAL 37 -1.729 -0.967 -4.174
213 HA VAL 37 HA VAL 37 -2.328 -3.517 -2.812
214 HB VAL 37 HB VAL 37 -4.352 -3.727 -4.236
215 1HG1 VAL 37 3HG1 VAL 37 -3.976 -2.083 -1.965
216 2HG1 VAL 37 1HG1 VAL 37 -5.157 -1.291 -3.009
217 3HG1 VAL 37 2HG1 VAL 37 -5.429 -2.946 -2.465
218 1HG2 VAL 37 1HG2 VAL 37 -3.567 -2.151 -6.011
219 2HG2 VAL 37 2HG2 VAL 37 -5.224 -1.876 -5.473
220 3HG2 VAL 37 3HG2 VAL 37 -3.928 -0.819 -4.910
221 H ALA 38 H ALA 38 -1.746 -5.350 -3.854
222 HA ALA 38 HA ALA 38 -0.024 -5.157 -6.120
223 1HB ALA 38 2HB ALA 38 0.683 -6.978 -5.031
224 2HB ALA 38 3HB ALA 38 -0.884 -7.244 -4.268
225 3HB ALA 38 1HB ALA 38 -0.595 -7.822 -5.909
226 H ARG 39 H ARG 39 -0.321 -6.129 -8.194
227 HA ARG 39 HA ARG 39 -2.803 -5.503 -9.364
228 HE ARG 39 HE ARG 39 -1.756 -1.979 -11.154
229 1HH1 ARG 39 2HH1 ARG 39 0.272 -4.140 -13.041
230 2HH1 ARG 39 1HH1 ARG 39 1.424 -2.901 -13.455
231 1HH2 ARG 39 2HH2 ARG 39 -0.220 -0.348 -11.713
232 2HH2 ARG 39 1HH2 ARG 39 1.155 -0.777 -12.696
233 H ASN 40 H ASN 40 -1.369 -8.598 -8.423
234 HA ASN 40 HA ASN 40 -3.606 -10.098 -9.465
235 1HD2 ASN 40 1HD2 ASN 40 -1.425 -13.131 -7.178
236 2HD2 ASN 40 2HD2 ASN 40 -0.498 -12.415 -5.893
237 H ALA 41 H ALA 41 -3.781 -8.069 -7.134
238 HA ALA 41 HA ALA 41 -4.636 -9.636 -4.892
239 1HB ALA 41 1HB ALA 41 -4.020 -6.939 -5.334
240 2HB ALA 41 2HB ALA 41 -5.717 -6.978 -4.855
241 3HB ALA 41 3HB ALA 41 -4.490 -7.701 -3.815
242 H ARG 42 H ARG 42 -6.724 -9.965 -4.160
243 HA ARG 42 HA ARG 42 -8.659 -10.613 -6.046
244 HE ARG 42 HE ARG 42 -11.483 -12.330 -5.326
245 1HH1 ARG 42 2HH1 ARG 42 -9.876 -14.832 -3.483
246 2HH1 ARG 42 1HH1 ARG 42 -11.323 -15.314 -2.641
247 1HH2 ARG 42 2HH2 ARG 42 -13.379 -12.968 -4.237
248 2HH2 ARG 42 1HH2 ARG 42 -13.310 -14.268 -3.087
249 HA PRO 43 HA PRO 43 -10.299 -6.753 -7.348
250 H ASP 44 H ASP 44 -12.259 -8.772 -5.192
251 HA ASP 44 HA ASP 44 -14.037 -6.771 -4.309
252 H ILE 45 H ILE 45 -10.825 -7.716 -3.263
253 HA ILE 45 HA ILE 45 -10.699 -6.085 -0.945
254 HB ILE 45 HB ILE 45 -8.485 -7.128 -2.719
255 1HG2 ILE 45 3HG2 ILE 45 -8.252 -5.106 -0.893
256 2HG2 ILE 45 1HG2 ILE 45 -7.825 -6.528 0.058
257 3HG2 ILE 45 2HG2 ILE 45 -6.943 -6.161 -1.425
258 1HD1 ILE 45 1HD1 ILE 45 -9.428 -7.292 0.789
259 2HD1 ILE 45 2HD1 ILE 45 -10.836 -8.194 0.231
260 3HD1 ILE 45 3HD1 ILE 45 -9.455 -9.050 0.914
261 H LYS 46 H LYS 46 -9.650 -5.615 -4.305
262 HA LYS 46 HA LYS 46 -8.551 -3.049 -3.998
263 1HZ LYS 46 1HZ LYS 46 -6.769 -6.038 -9.850
264 2HZ LYS 46 3HZ LYS 46 -5.639 -4.779 -9.686
265 3HZ LYS 46 2HZ LYS 46 -5.158 -6.392 -9.466
266 H GLU 47 H GLU 47 -11.799 -4.047 -5.042
267 HA GLU 47 HA GLU 47 -12.806 -1.501 -5.519
268 H ASP 48 H ASP 48 -12.947 -3.428 -2.527
269 HA ASP 48 HA ASP 48 -14.432 -1.534 -1.050
270 H ILE 49 H ILE 49 -10.932 -2.118 -1.269
271 HA ILE 49 HA ILE 49 -10.120 -0.118 0.504
272 HB ILE 49 HB ILE 49 -8.715 -1.315 -1.877
273 1HG2 ILE 49 3HG2 ILE 49 -7.963 1.016 -0.259
274 2HG2 ILE 49 1HG2 ILE 49 -6.711 -0.217 -0.401
275 3HG2 ILE 49 2HG2 ILE 49 -7.401 0.509 -1.852
276 1HD1 ILE 49 3HD1 ILE 49 -6.295 -1.947 -0.474
277 2HD1 ILE 49 1HD1 ILE 49 -6.658 -3.156 0.758
278 3HD1 ILE 49 2HD1 ILE 49 -7.124 -3.438 -0.920
279 H GLU 50 H GLU 50 -10.367 0.051 -3.057
280 HA GLU 50 HA GLU 50 -9.640 2.749 -3.249
281 H TYR 51 H TYR 51 -12.842 1.270 -2.896
282 HA TYR 51 HA TYR 51 -14.339 3.600 -3.383
283 HD1 TYR 51 1HD TYR 51 -16.801 1.325 -0.298
284 HD2 TYR 51 2HD TYR 51 -16.693 3.827 -3.735
285 HE1 TYR 51 1HE TYR 51 -18.957 2.304 0.356
286 HE2 TYR 51 2HE TYR 51 -18.854 4.815 -3.090
287 HH TYR 51 HH TYR 51 -20.958 3.556 -1.220
288 H TYR 52 H TYR 52 -13.317 2.116 -0.326
289 HA TYR 52 HA TYR 52 -14.365 4.234 1.252
290 HD1 TYR 52 1HD TYR 52 -15.217 3.227 3.978
291 HD2 TYR 52 2HD TYR 52 -14.233 0.376 0.981
292 HE1 TYR 52 1HE TYR 52 -17.294 2.010 4.466
293 HE2 TYR 52 2HE TYR 52 -16.310 -0.848 1.459
294 HH TYR 52 HH TYR 52 -18.389 0.033 4.157
295 H ALA 53 H ALA 53 -11.128 3.488 0.017
296 HA ALA 53 HA ALA 53 -9.732 5.439 1.473
297 1HB ALA 53 2HB ALA 53 -8.257 4.038 0.454
298 2HB ALA 53 1HB ALA 53 -8.230 5.362 -0.712
299 3HB ALA 53 3HB ALA 53 -9.209 3.929 -1.027
300 H ARG 54 H ARG 54 -11.299 5.617 -1.710
301 HA ARG 54 HA ARG 54 -10.599 8.257 -2.328
302 HE ARG 54 HE ARG 54 -13.059 8.092 -5.816
303 1HH1 ARG 54 2HH1 ARG 54 -12.989 5.047 -7.540
304 2HH1 ARG 54 1HH1 ARG 54 -14.240 5.496 -8.661
305 1HH2 ARG 54 2HH2 ARG 54 -14.691 8.712 -7.301
306 2HH2 ARG 54 1HH2 ARG 54 -15.214 7.588 -8.524
307 H LEU 55 H LEU 55 -13.222 6.969 -0.360
308 HA LEU 55 HA LEU 55 -14.676 9.371 -0.015
309 HG LEU 55 HG LEU 55 -15.302 6.275 -0.236
310 1HD1 LEU 55 2HD1 LEU 55 -16.649 6.207 2.331
311 2HD1 LEU 55 3HD1 LEU 55 -17.754 5.932 0.983
312 3HD1 LEU 55 1HD1 LEU 55 -16.334 4.906 1.182
313 1HD2 LEU 55 2HD2 LEU 55 -17.209 8.544 0.216
314 2HD2 LEU 55 3HD2 LEU 55 -16.273 8.154 -1.227
315 3HD2 LEU 55 1HD2 LEU 55 -17.650 7.149 -0.770
316 H SER 56 H SER 56 -12.139 7.830 1.917
317 HA SER 56 HA SER 56 -11.975 10.034 3.757
318 HG SER 56 HG SER 56 -11.521 6.539 4.494
319 H GLY 57 H GLY 57 -10.986 9.796 0.654
320 1HA GLY 57 2HA GLY 57 -9.234 12.033 0.812
321 2HA GLY 57 1HA GLY 57 -9.577 11.082 -0.626
322 H ILE 58 H ILE 58 -8.737 8.577 0.450
323 HA ILE 58 HA ILE 58 -5.861 8.998 0.894
324 HB ILE 58 HB ILE 58 -7.485 6.468 1.246
325 1HG2 ILE 58 2HG2 ILE 58 -4.588 7.097 1.474
326 2HG2 ILE 58 3HG2 ILE 58 -5.288 5.940 2.607
327 3HG2 ILE 58 1HG2 ILE 58 -5.390 5.646 0.869
328 1HD1 ILE 58 1HD1 ILE 58 -7.344 5.616 3.503
329 2HD1 ILE 58 2HD1 ILE 58 -6.485 6.578 4.706
330 3HD1 ILE 58 3HD1 ILE 58 -8.234 6.739 4.532
331 HA PRO 59 HA PRO 59 -5.453 7.947 -3.435
332 H VAL 60 H VAL 60 -5.384 6.016 -4.400
333 HA VAL 60 HA VAL 60 -4.097 3.781 -2.982
334 HB VAL 60 HB VAL 60 -6.134 3.677 -5.219
335 1HG1 VAL 60 1HG1 VAL 60 -4.812 1.521 -3.587
336 2HG1 VAL 60 2HG1 VAL 60 -6.286 1.263 -4.523
337 3HG1 VAL 60 3HG1 VAL 60 -4.793 1.726 -5.339
338 1HG2 VAL 60 2HG2 VAL 60 -6.863 4.514 -2.897
339 2HG2 VAL 60 3HG2 VAL 60 -7.789 3.214 -3.647
340 3HG2 VAL 60 1HG2 VAL 60 -6.618 2.844 -2.381
341 H TYR 61 H TYR 61 -2.212 3.110 -3.726
342 HA TYR 61 HA TYR 61 -1.470 3.690 -6.512
343 HD1 TYR 61 1HD TYR 61 0.788 4.666 -7.462
344 HD2 TYR 61 2HD TYR 61 2.036 1.726 -4.646
345 HE1 TYR 61 1HE TYR 61 2.634 4.032 -8.949
346 HE2 TYR 61 2HE TYR 61 3.895 1.098 -6.125
347 HH TYR 61 HH TYR 61 4.060 1.601 -9.166
348 H GLU 62 H GLU 62 -1.217 2.024 -7.886
349 HA GLU 62 HA GLU 62 -1.676 -0.664 -6.871
350 H PHE 63 H PHE 63 -0.170 -2.140 -6.588
351 HA PHE 63 HA PHE 63 2.592 -1.509 -6.837
352 HD1 PHE 63 1HD PHE 63 4.252 -2.054 -5.480
353 HD2 PHE 63 2HD PHE 63 2.781 -5.961 -6.300
354 HE1 PHE 63 1HE PHE 63 6.528 -2.966 -5.235
355 HE2 PHE 63 2HE PHE 63 5.047 -6.870 -6.058
356 HZ PHE 63 HZ PHE 63 6.956 -5.290 -5.512
357 H GLU 64 H GLU 64 3.893 -1.799 -8.523
358 HA GLU 64 HA GLU 64 2.868 -2.923 -10.966
359 H GLY 65 H GLY 65 2.598 -5.003 -9.541
360 1HA GLY 65 2HA GLY 65 4.873 -6.584 -8.978
361 2HA GLY 65 1HA GLY 65 4.252 -6.997 -10.571
362 H THR 66 H THR 66 4.368 -8.676 -8.230
363 HA THR 66 HA THR 66 1.490 -9.231 -7.925
364 HB THR 66 HB THR 66 2.167 -11.600 -7.580
365 HG1 THR 66 1HG THR 66 4.535 -11.734 -8.629
366 1HG2 THR 66 2HG2 THR 66 1.886 -10.244 -9.948
367 2HG2 THR 66 1HG2 THR 66 3.428 -11.069 -10.171
368 3HG2 THR 66 3HG2 THR 66 1.979 -11.997 -9.786
369 H SER 67 H SER 67 1.017 -10.583 -5.949
370 HA SER 67 HA SER 67 1.776 -9.252 -3.585
371 HG SER 67 HG SER 67 -0.104 -12.844 -3.682
372 H VAL 68 H VAL 68 2.970 -12.093 -5.228
373 HA VAL 68 HA VAL 68 4.608 -13.125 -3.173
374 HB VAL 68 HB VAL 68 4.952 -13.314 -6.174
375 1HG1 VAL 68 2HG1 VAL 68 6.394 -14.577 -3.895
376 2HG1 VAL 68 3HG1 VAL 68 6.149 -15.502 -5.376
377 3HG1 VAL 68 1HG1 VAL 68 7.019 -13.969 -5.426
378 1HG2 VAL 68 3HG2 VAL 68 3.564 -15.093 -4.181
379 2HG2 VAL 68 1HG2 VAL 68 2.849 -14.243 -5.550
380 3HG2 VAL 68 2HG2 VAL 68 3.959 -15.585 -5.828
381 H GLU 69 H GLU 69 5.269 -10.943 -5.883
382 HA GLU 69 HA GLU 69 7.967 -10.445 -5.306
383 H LEU 70 H LEU 70 5.006 -8.785 -4.293
384 HA LEU 70 HA LEU 70 6.304 -6.687 -2.909
385 HG LEU 70 HG LEU 70 4.129 -6.022 -0.796
386 1HD1 LEU 70 2HD1 LEU 70 5.313 -4.786 -3.170
387 2HD1 LEU 70 3HD1 LEU 70 4.351 -3.678 -2.192
388 3HD1 LEU 70 1HD1 LEU 70 5.689 -4.562 -1.462
389 1HD2 LEU 70 2HD2 LEU 70 1.936 -6.030 -2.510
390 2HD2 LEU 70 3HD2 LEU 70 2.068 -5.206 -0.956
391 3HD2 LEU 70 1HD2 LEU 70 2.454 -4.345 -2.446
392 H GLY 71 H GLY 71 4.963 -9.794 -1.816
393 1HA GLY 71 2HA GLY 71 5.384 -11.035 0.071
394 2HA GLY 71 1HA GLY 71 5.456 -9.502 0.930
395 H THR 72 H THR 72 7.528 -10.776 -1.646
396 HA THR 72 HA THR 72 9.745 -11.380 0.017
397 HB THR 72 HB THR 72 9.765 -10.702 -2.934
398 HG1 THR 72 1HG THR 72 9.306 -12.822 -3.299
399 1HG2 THR 72 2HG2 THR 72 11.905 -11.081 -1.240
400 2HG2 THR 72 1HG2 THR 72 11.653 -12.688 -1.923
401 3HG2 THR 72 3HG2 THR 72 11.927 -11.309 -2.988
402 H LEU 73 H LEU 73 8.691 -8.506 -1.709
403 HA LEU 73 HA LEU 73 10.989 -6.922 -1.487
404 HG LEU 73 HG LEU 73 8.975 -4.193 -2.969
405 1HD1 LEU 73 3HD1 LEU 73 9.717 -4.224 -0.289
406 2HD1 LEU 73 1HD1 LEU 73 11.165 -3.730 -1.164
407 3HD1 LEU 73 2HD1 LEU 73 9.660 -2.829 -1.366
408 1HD2 LEU 73 2HD2 LEU 73 10.781 -6.001 -3.690
409 2HD2 LEU 73 3HD2 LEU 73 10.977 -4.281 -4.024
410 3HD2 LEU 73 1HD2 LEU 73 11.799 -5.011 -2.642
411 H LEU 74 H LEU 74 8.204 -7.264 0.690
412 HA LEU 74 HA LEU 74 9.214 -5.507 2.695
413 HG LEU 74 HG LEU 74 7.041 -4.627 3.307
414 1HD1 LEU 74 1HD1 LEU 74 5.980 -6.223 1.001
415 2HD1 LEU 74 2HD1 LEU 74 5.356 -4.623 1.402
416 3HD1 LEU 74 3HD1 LEU 74 7.056 -4.826 0.977
417 1HD2 LEU 74 2HD2 LEU 74 5.069 -6.776 3.828
418 2HD2 LEU 74 3HD2 LEU 74 5.412 -5.303 4.734
419 3HD2 LEU 74 1HD2 LEU 74 4.453 -5.226 3.256
420 H GLY 75 H GLY 75 9.524 -8.913 2.015
421 1HA GLY 75 2HA GLY 75 11.671 -9.159 3.955
422 2HA GLY 75 1HA GLY 75 11.135 -10.395 2.822
423 H ARG 76 H ARG 76 8.385 -10.229 3.472
424 HA ARG 76 HA ARG 76 8.315 -11.142 6.268
425 HE ARG 76 HE ARG 76 8.359 -8.411 7.412
426 1HH1 ARG 76 2HH1 ARG 76 4.927 -8.195 8.100
427 2HH1 ARG 76 1HH1 ARG 76 4.859 -6.480 7.831
428 1HH2 ARG 76 2HH2 ARG 76 8.264 -6.165 7.079
429 2HH2 ARG 76 1HH2 ARG 76 6.742 -5.337 7.232
430 HA PRO 77 HA PRO 77 8.075 -15.238 4.672
431 H HIS 78 H HIS 78 5.807 -13.618 3.996
432 HA HIS 78 HA HIS 78 4.133 -15.626 3.057
433 HD1 HIS 78 1HD HIS 78 0.981 -12.890 4.637
434 HD2 HIS 78 2HD HIS 78 4.179 -13.777 7.151
435 HE1 HIS 78 1HE HIS 78 0.995 -11.085 6.387
436 HE2 HIS 78 2HE HIS 78 2.816 -11.749 7.999
437 H THR 79 H THR 79 2.919 -14.897 1.381
438 HA THR 79 HA THR 79 3.748 -12.478 0.250
439 HB THR 79 HB THR 79 1.972 -12.969 -1.485
440 HG1 THR 79 1HG THR 79 0.829 -14.320 0.348
441 1HG2 THR 79 3HG2 THR 79 4.417 -14.159 -0.992
442 2HG2 THR 79 2HG2 THR 79 3.342 -15.530 -1.274
443 3HG2 THR 79 1HG2 THR 79 3.495 -14.263 -2.493
444 H VAL 80 H VAL 80 3.026 -10.463 0.396
445 HA VAL 80 HA VAL 80 0.538 -9.967 1.842
446 HB VAL 80 HB VAL 80 2.537 -8.795 2.637
447 1HG1 VAL 80 2HG1 VAL 80 3.141 -8.465 -0.043
448 2HG1 VAL 80 3HG1 VAL 80 2.757 -6.841 0.527
449 3HG1 VAL 80 1HG1 VAL 80 4.013 -7.784 1.331
450 1HG2 VAL 80 2HG2 VAL 80 0.054 -7.574 1.914
451 2HG2 VAL 80 3HG2 VAL 80 1.077 -7.272 3.320
452 3HG2 VAL 80 1HG2 VAL 80 1.350 -6.381 1.822
453 H SER 81 H SER 81 -1.251 -9.319 0.860
454 HA SER 81 HA SER 81 -1.259 -9.066 -2.007
455 HG SER 81 HG SER 81 -3.250 -9.239 -2.875
456 H ALA 82 H ALA 82 -1.761 -6.985 0.767
457 HA ALA 82 HA ALA 82 -1.386 -4.626 -0.840
458 1HB ALA 82 2HB ALA 82 -3.926 -5.356 -0.823
459 2HB ALA 82 3HB ALA 82 -3.899 -4.580 0.761
460 3HB ALA 82 1HB ALA 82 -3.461 -3.659 -0.680
461 H LEU 83 H LEU 83 -0.969 -2.763 0.450
462 HA LEU 83 HA LEU 83 -0.816 -3.199 3.330
463 HG LEU 83 HG LEU 83 1.281 -2.562 0.404
464 1HD1 LEU 83 1HD1 LEU 83 1.386 -0.374 1.642
465 2HD1 LEU 83 2HD1 LEU 83 3.042 -0.793 2.081
466 3HD1 LEU 83 3HD1 LEU 83 2.602 -0.600 0.383
467 1HD2 LEU 83 2HD2 LEU 83 3.340 -3.825 1.996
468 2HD2 LEU 83 3HD2 LEU 83 3.029 -3.928 0.263
469 3HD2 LEU 83 1HD2 LEU 83 4.003 -2.607 0.907
470 H ALA 84 H ALA 84 -1.122 -1.421 4.528
471 HA ALA 84 HA ALA 84 -1.899 0.988 3.079
472 1HB ALA 84 2HB ALA 84 -3.037 -0.347 5.202
473 2HB ALA 84 3HB ALA 84 -2.267 1.044 5.963
474 3HB ALA 84 1HB ALA 84 -3.437 1.283 4.667
475 H VAL 85 H VAL 85 -0.508 2.561 2.843
476 HA VAL 85 HA VAL 85 1.833 2.823 4.544
477 HB VAL 85 HB VAL 85 0.916 4.585 2.256
478 1HG1 VAL 85 3HG1 VAL 85 2.559 5.489 4.016
479 2HG1 VAL 85 1HG1 VAL 85 3.717 4.368 3.299
480 3HG1 VAL 85 2HG1 VAL 85 2.991 5.638 2.312
481 1HG2 VAL 85 2HG2 VAL 85 1.732 1.983 2.054
482 2HG2 VAL 85 3HG2 VAL 85 1.856 3.196 0.778
483 3HG2 VAL 85 1HG2 VAL 85 3.240 2.871 1.824
484 H VAL 86 H VAL 86 0.862 3.336 6.528
485 HA VAL 86 HA VAL 86 -1.093 5.303 6.925
486 HB VAL 86 HB VAL 86 1.050 4.454 8.885
487 1HG1 VAL 86 1HG1 VAL 86 -0.183 6.518 9.481
488 2HG1 VAL 86 2HG1 VAL 86 -1.688 5.602 9.406
489 3HG1 VAL 86 3HG1 VAL 86 -0.463 5.188 10.607
490 1HG2 VAL 86 2HG2 VAL 86 -0.203 2.546 7.967
491 2HG2 VAL 86 3HG2 VAL 86 -0.540 2.802 9.680
492 3HG2 VAL 86 1HG2 VAL 86 -1.711 3.315 8.466
493 H ASP 87 H ASP 87 2.432 5.453 7.025
494 HA ASP 87 HA ASP 87 2.402 8.145 6.097
495 HA PRO 88 HA PRO 88 5.949 6.239 4.291
496 H GLY 89 H GLY 89 6.275 9.219 6.155
497 1HA GLY 89 2HA GLY 89 8.664 8.245 7.446
498 2HA GLY 89 1HA GLY 89 7.891 9.803 7.708
499 H GLU 90 H GLU 90 10.670 8.519 6.785
500 HA GLU 90 HA GLU 90 11.535 10.881 5.419
501 H SER 91 H SER 91 10.327 7.815 4.449
502 HA SER 91 HA SER 91 11.543 7.620 1.907
503 HG SER 91 HG SER 91 10.460 6.066 0.557
504 H ARG 92 H ARG 92 10.876 8.209 -0.100
505 HA ARG 92 HA ARG 92 8.741 10.238 -0.194
506 HE ARG 92 HE ARG 92 13.136 12.090 -1.801
507 1HH1 ARG 92 2HH1 ARG 92 14.047 8.755 -2.403
508 2HH1 ARG 92 1HH1 ARG 92 15.358 8.777 -1.259
509 1HH2 ARG 92 2HH2 ARG 92 14.847 12.122 -0.303
510 2HH2 ARG 92 1HH2 ARG 92 15.811 10.694 -0.057
511 H ILE 93 H ILE 93 7.919 7.632 -0.091
512 HA ILE 93 HA ILE 93 7.588 6.371 -2.587
513 HB ILE 93 HB ILE 93 7.284 5.212 -0.427
514 1HG2 ILE 93 3HG2 ILE 93 5.468 7.315 0.092
515 2HG2 ILE 93 1HG2 ILE 93 4.561 5.803 0.112
516 3HG2 ILE 93 2HG2 ILE 93 5.965 6.001 1.160
517 1HD1 ILE 93 2HD1 ILE 93 7.530 4.355 -2.746
518 2HD1 ILE 93 3HD1 ILE 93 6.657 2.865 -2.390
519 3HD1 ILE 93 1HD1 ILE 93 6.103 3.922 -3.690
520 H LEU 94 H LEU 94 5.878 8.964 -1.035
521 HA LEU 94 HA LEU 94 3.472 8.870 -2.496
522 HG LEU 94 HG LEU 94 4.085 9.426 0.420
523 1HD1 LEU 94 1HD1 LEU 94 3.935 12.032 0.735
524 2HD1 LEU 94 2HD1 LEU 94 2.203 11.701 0.763
525 3HD1 LEU 94 3HD1 LEU 94 3.268 10.925 1.936
526 1HD2 LEU 94 2HD2 LEU 94 2.143 8.812 -1.189
527 2HD2 LEU 94 3HD2 LEU 94 1.891 8.708 0.554
528 3HD2 LEU 94 1HD2 LEU 94 1.273 10.094 -0.344
529 H ALA 95 H ALA 95 6.627 9.883 -3.386
530 HA ALA 95 HA ALA 95 6.053 11.837 -5.294
531 1HB ALA 95 1HB ALA 95 8.296 11.588 -4.592
532 2HB ALA 95 2HB ALA 95 8.337 9.892 -5.079
533 3HB ALA 95 3HB ALA 95 8.260 11.161 -6.303
534 H LEU 96 H LEU 96 6.277 8.301 -5.649
535 HA LEU 96 HA LEU 96 5.250 8.608 -8.389
536 HG LEU 96 HG LEU 96 5.608 5.296 -6.827
537 1HD1 LEU 96 2HD1 LEU 96 7.412 4.794 -8.861
538 2HD1 LEU 96 3HD1 LEU 96 8.305 4.412 -7.388
539 3HD1 LEU 96 1HD1 LEU 96 6.761 3.624 -7.715
540 1HD2 LEU 96 1HD2 LEU 96 7.418 7.075 -5.713
541 2HD2 LEU 96 2HD2 LEU 96 6.762 5.626 -4.953
542 3HD2 LEU 96 3HD2 LEU 96 8.306 5.553 -5.805
543 H GLY 97 H GLY 97 3.883 8.458 -5.626
544 1HA GLY 97 2HA GLY 97 2.339 6.211 -5.322
545 2HA GLY 97 1HA GLY 97 1.572 7.112 -6.623
546 H GLY 98 H GLY 98 0.149 8.616 -6.082
547 1HA GLY 98 2HA GLY 98 0.462 10.388 -3.919
548 2HA GLY 98 1HA GLY 98 -0.656 9.115 -3.445
549 H LYS 99 H LYS 99 -0.428 12.115 -4.766
550 HA LYS 99 HA LYS 99 -3.170 12.291 -5.430
551 1HZ LYS 99 1HZ LYS 99 0.863 17.988 -5.076
552 2HZ LYS 99 3HZ LYS 99 -0.807 18.228 -4.907
553 3HZ LYS 99 2HZ LYS 99 0.147 17.921 -3.540
554 H GLU 100 H GLU 100 -4.233 12.206 -7.355
555 HA GLU 100 HA GLU 100 -4.710 11.577 -9.479
No H/Q in entry = 555
Start of MODEL 6
1 H1 GLY -2 1H GLY -2 12.121 12.694 -9.583
2 H2 GLY -2 3H GLY -2 10.871 12.878 -10.712
3 H3 GLY -2 2H GLY -2 10.507 12.581 -9.085
4 1HA GLY -2 1HA GLY -2 11.448 10.743 -11.157
5 2HA GLY -2 2HA GLY -2 10.210 10.501 -9.933
6 H SER -1 H SER -1 13.004 9.314 -10.853
7 HA SER -1 HA SER -1 14.608 8.037 -9.900
8 HG SER -1 HG SER -1 15.725 11.344 -9.049
9 H VAL 1 H VAL 1 12.095 7.117 -9.519
10 HA VAL 1 HA VAL 1 11.612 6.468 -6.752
11 HB VAL 1 HB VAL 1 9.690 6.723 -8.188
12 1HG1 VAL 1 2HG1 VAL 1 11.252 5.223 -10.047
13 2HG1 VAL 1 3HG1 VAL 1 9.705 4.412 -9.799
14 3HG1 VAL 1 1HG1 VAL 1 9.743 6.100 -10.312
15 1HG2 VAL 1 3HG2 VAL 1 10.245 4.247 -6.776
16 2HG2 VAL 1 1HG2 VAL 1 8.805 5.264 -6.754
17 3HG2 VAL 1 2HG2 VAL 1 9.012 4.054 -8.021
18 H ASP 2 H ASP 2 11.960 4.559 -5.720
19 HA ASP 2 HA ASP 2 13.425 2.476 -7.216
20 H PHE 3 H PHE 3 11.218 3.344 -4.673
21 HA PHE 3 HA PHE 3 9.409 2.354 -3.779
22 HD1 PHE 3 1HD PHE 3 8.723 -1.705 -4.740
23 HD2 PHE 3 2HD PHE 3 6.930 2.152 -4.603
24 HE1 PHE 3 1HE PHE 3 6.690 -2.688 -3.770
25 HE2 PHE 3 2HE PHE 3 4.892 1.173 -3.637
26 HZ PHE 3 HZ PHE 3 4.770 -1.251 -3.219
27 H ALA 4 H ALA 4 11.802 -0.214 -4.497
28 HA ALA 4 HA ALA 4 11.043 -1.797 -2.297
29 1HB ALA 4 3HB ALA 4 12.327 -2.512 -4.357
30 2HB ALA 4 2HB ALA 4 12.866 -3.187 -2.820
31 3HB ALA 4 1HB ALA 4 13.764 -1.864 -3.565
32 H PHE 5 H PHE 5 13.851 0.370 -2.701
33 HA PHE 5 HA PHE 5 14.827 0.150 -0.053
34 HD1 PHE 5 1HD PHE 5 16.871 0.942 0.832
35 HD2 PHE 5 2HD PHE 5 15.765 4.450 -1.309
36 HE1 PHE 5 1HE PHE 5 18.097 2.319 2.463
37 HE2 PHE 5 2HE PHE 5 16.985 5.832 0.317
38 HZ PHE 5 HZ PHE 5 18.194 4.793 2.152
39 H GLU 6 H GLU 6 12.451 2.190 -1.594
40 HA GLU 6 HA GLU 6 12.009 3.953 0.550
41 H LEU 7 H LEU 7 10.455 0.866 -0.345
42 HA LEU 7 HA LEU 7 8.500 0.930 1.709
43 HG LEU 7 HG LEU 7 8.060 -0.269 -1.142
44 1HD1 LEU 7 1HD1 LEU 7 7.103 -2.756 0.248
45 2HD1 LEU 7 2HD1 LEU 7 6.234 -2.033 -1.108
46 3HD1 LEU 7 3HD1 LEU 7 7.888 -2.608 -1.327
47 1HD2 LEU 7 3HD2 LEU 7 6.826 0.185 1.444
48 2HD2 LEU 7 1HD2 LEU 7 6.595 1.039 -0.083
49 3HD2 LEU 7 2HD2 LEU 7 5.675 -0.429 0.255
50 H ARG 8 H ARG 8 11.805 -0.329 1.581
51 HA ARG 8 HA ARG 8 11.860 -1.519 4.118
52 HE ARG 8 HE ARG 8 13.885 -4.574 1.239
53 1HH1 ARG 8 2HH1 ARG 8 12.594 -5.406 4.393
54 2HH1 ARG 8 1HH1 ARG 8 12.599 -7.116 4.071
55 1HH2 ARG 8 2HH2 ARG 8 13.892 -6.811 0.832
56 2HH2 ARG 8 1HH2 ARG 8 13.334 -7.912 2.049
57 H LYS 9 H LYS 9 12.830 1.758 3.128
58 HA LYS 9 HA LYS 9 13.470 2.654 5.728
59 1HZ LYS 9 3HZ LYS 9 17.368 3.843 7.016
60 2HZ LYS 9 2HZ LYS 9 18.814 3.761 6.131
61 3HZ LYS 9 1HZ LYS 9 18.029 5.250 6.336
62 H ALA 10 H ALA 10 10.474 2.723 3.877
63 HA ALA 10 HA ALA 10 9.048 4.428 5.624
64 1HB ALA 10 2HB ALA 10 8.228 2.448 3.535
65 2HB ALA 10 3HB ALA 10 7.025 3.231 4.559
66 3HB ALA 10 1HB ALA 10 8.074 4.206 3.530
67 H GLN 11 H GLN 11 9.483 0.932 5.493
68 HA GLN 11 HA GLN 11 7.666 0.368 7.612
69 1HE2 GLN 11 1HE2 GLN 11 6.597 -3.921 7.344
70 2HE2 GLN 11 2HE2 GLN 11 7.461 -5.225 6.600
71 H ASP 12 H ASP 12 11.154 0.820 7.392
72 HA ASP 12 HA ASP 12 11.683 0.193 10.115
73 H THR 13 H THR 13 11.601 3.297 8.367
74 HA THR 13 HA THR 13 11.932 4.699 10.890
75 HB THR 13 HB THR 13 11.792 5.872 8.113
76 HG1 THR 13 1HG THR 13 13.663 4.266 9.203
77 1HG2 THR 13 3HG2 THR 13 12.111 6.980 10.753
78 2HG2 THR 13 2HG2 THR 13 13.543 7.298 9.773
79 3HG2 THR 13 1HG2 THR 13 11.953 7.809 9.205
80 H GLY 14 H GLY 14 9.640 4.715 8.161
81 1HA GLY 14 2HA GLY 14 7.591 5.775 7.958
82 2HA GLY 14 1HA GLY 14 7.883 6.572 9.496
83 H LYS 15 H LYS 15 5.635 4.902 8.180
84 HA LYS 15 HA LYS 15 5.310 2.841 10.234
85 1HZ LYS 15 2HZ LYS 15 5.315 7.400 12.471
86 2HZ LYS 15 1HZ LYS 15 3.972 8.434 12.562
87 3HZ LYS 15 3HZ LYS 15 4.939 8.174 13.931
88 H ILE 16 H ILE 16 4.924 1.039 9.136
89 HA ILE 16 HA ILE 16 3.135 1.173 6.792
90 HB ILE 16 HB ILE 16 5.536 -0.622 7.188
91 1HG2 ILE 16 2HG2 ILE 16 3.722 -1.891 6.190
92 2HG2 ILE 16 3HG2 ILE 16 3.500 -0.641 4.965
93 3HG2 ILE 16 1HG2 ILE 16 4.989 -1.587 5.002
94 1HD1 ILE 16 3HD1 ILE 16 4.171 1.065 4.177
95 2HD1 ILE 16 1HD1 ILE 16 4.085 2.375 5.351
96 3HD1 ILE 16 2HD1 ILE 16 5.377 2.350 4.153
97 H VAL 17 H VAL 17 1.373 -0.044 6.916
98 HA VAL 17 HA VAL 17 1.288 -2.197 8.935
99 HB VAL 17 HB VAL 17 -1.052 -0.519 8.003
100 1HG1 VAL 17 1HG1 VAL 17 -0.772 -2.876 9.732
101 2HG1 VAL 17 2HG1 VAL 17 -1.769 -1.580 10.392
102 3HG1 VAL 17 3HG1 VAL 17 -2.167 -2.289 8.827
103 1HG2 VAL 17 1HG2 VAL 17 0.586 -0.291 10.521
104 2HG2 VAL 17 2HG2 VAL 17 0.439 0.907 9.236
105 3HG2 VAL 17 3HG2 VAL 17 -0.953 0.522 10.246
106 H MET 18 H MET 18 0.441 -4.161 8.285
107 HA MET 18 HA MET 18 0.207 -4.675 5.468
108 1HE MET 18 2HE MET 18 0.919 -8.916 5.099
109 2HE MET 18 3HE MET 18 0.742 -10.324 6.146
110 3HE MET 18 1HE MET 18 -0.448 -9.024 6.209
111 H GLY 19 H GLY 19 -1.551 -4.492 4.236
112 1HA GLY 19 2HA GLY 19 -3.521 -3.260 3.886
113 2HA GLY 19 1HA GLY 19 -3.948 -3.501 5.573
114 H ALA 20 H ALA 20 -4.439 -4.460 2.429
115 HA ALA 20 HA ALA 20 -5.837 -5.909 1.449
116 1HB ALA 20 2HB ALA 20 -5.865 -8.242 2.180
117 2HB ALA 20 1HB ALA 20 -5.003 -7.791 3.652
118 3HB ALA 20 3HB ALA 20 -4.221 -7.611 2.081
119 H ARG 21 H ARG 21 -6.838 -7.782 4.066
120 HA ARG 21 HA ARG 21 -9.464 -6.685 4.031
121 HE ARG 21 HE ARG 21 -6.832 -10.308 8.042
122 1HH1 ARG 21 2HH1 ARG 21 -8.443 -12.890 6.306
123 2HH1 ARG 21 1HH1 ARG 21 -7.842 -14.139 7.351
124 1HH2 ARG 21 2HH2 ARG 21 -6.020 -11.961 9.410
125 2HH2 ARG 21 1HH2 ARG 21 -6.426 -13.621 9.080
126 H LYS 22 H LYS 22 -6.667 -6.275 6.112
127 HA LYS 22 HA LYS 22 -8.093 -4.834 8.154
128 1HZ LYS 22 1HZ LYS 22 -2.626 -7.214 11.029
129 2HZ LYS 22 3HZ LYS 22 -1.545 -7.117 9.728
130 3HZ LYS 22 2HZ LYS 22 -2.037 -5.709 10.535
131 H SER 23 H SER 23 -6.623 -4.096 5.135
132 HA SER 23 HA SER 23 -6.097 -1.358 5.467
133 HG SER 23 HG SER 23 -6.575 -0.378 2.908
134 H ILE 24 H ILE 24 -9.039 -3.113 4.905
135 HA ILE 24 HA ILE 24 -10.646 -1.097 3.822
136 HB ILE 24 HB ILE 24 -11.627 -3.166 5.786
137 1HG2 ILE 24 1HG2 ILE 24 -12.885 -1.353 3.826
138 2HG2 ILE 24 2HG2 ILE 24 -13.550 -2.983 3.934
139 3HG2 ILE 24 3HG2 ILE 24 -13.489 -1.959 5.369
140 1HD1 ILE 24 3HD1 ILE 24 -10.330 -2.669 2.319
141 2HD1 ILE 24 1HD1 ILE 24 -10.704 -4.311 1.789
142 3HD1 ILE 24 2HD1 ILE 24 -12.003 -3.131 1.992
143 H GLN 25 H GLN 25 -9.910 -1.918 7.188
144 HA GLN 25 HA GLN 25 -11.590 -0.016 8.417
145 1HE2 GLN 25 1HE2 GLN 25 -11.068 -0.892 13.043
146 2HE2 GLN 25 2HE2 GLN 25 -9.644 -1.496 13.818
147 H TYR 26 H TYR 26 -8.149 0.115 7.534
148 HA TYR 26 HA TYR 26 -7.654 2.694 8.502
149 HD1 TYR 26 1HD TYR 26 -6.724 -0.046 9.119
150 HD2 TYR 26 2HD TYR 26 -3.845 2.832 7.880
151 HE1 TYR 26 1HE TYR 26 -5.316 -0.633 11.044
152 HE2 TYR 26 2HE TYR 26 -2.428 2.252 9.806
153 HH TYR 26 HH TYR 26 -2.345 1.142 11.773
154 H ALA 27 H ALA 27 -8.640 1.611 5.277
155 HA ALA 27 HA ALA 27 -8.575 4.187 4.079
156 1HB ALA 27 3HB ALA 27 -10.219 1.802 3.242
157 2HB ALA 27 2HB ALA 27 -8.524 2.052 2.818
158 3HB ALA 27 1HB ALA 27 -9.753 3.179 2.240
159 H LYS 28 H LYS 28 -11.059 2.290 5.670
160 HA LYS 28 HA LYS 28 -13.278 3.911 5.103
161 1HZ LYS 28 3HZ LYS 28 -16.872 2.437 9.093
162 2HZ LYS 28 2HZ LYS 28 -17.412 3.277 7.722
163 3HZ LYS 28 1HZ LYS 28 -18.443 2.183 8.505
164 H MET 29 H MET 29 -11.141 3.818 7.939
165 HA MET 29 HA MET 29 -12.407 6.015 9.238
166 1HE MET 29 2HE MET 29 -12.569 2.540 12.590
167 2HE MET 29 3HE MET 29 -11.295 1.392 12.998
168 3HE MET 29 1HE MET 29 -11.689 2.707 14.107
169 H GLY 30 H GLY 30 -9.599 5.680 7.153
170 1HA GLY 30 2HA GLY 30 -9.537 8.589 6.807
171 2HA GLY 30 1HA GLY 30 -8.737 7.403 5.781
172 H GLY 31 H GLY 31 -7.479 5.898 7.793
173 1HA GLY 31 2HA GLY 31 -5.849 6.032 9.486
174 2HA GLY 31 1HA GLY 31 -5.823 7.780 9.295
175 H ALA 32 H ALA 32 -5.478 5.350 6.757
176 HA ALA 32 HA ALA 32 -2.634 5.504 6.662
177 1HB ALA 32 3HB ALA 32 -4.744 4.055 5.274
178 2HB ALA 32 1HB ALA 32 -3.389 4.486 4.231
179 3HB ALA 32 2HB ALA 32 -3.108 3.550 5.699
180 H LYS 33 H LYS 33 -1.305 6.680 5.367
181 HA LYS 33 HA LYS 33 -2.381 9.041 4.116
182 1HZ LYS 33 2HZ LYS 33 -2.282 13.033 3.781
183 2HZ LYS 33 1HZ LYS 33 -2.034 13.246 2.119
184 3HZ LYS 33 3HZ LYS 33 -3.455 12.511 2.674
185 H LEU 34 H LEU 34 -0.726 6.099 3.045
186 HA LEU 34 HA LEU 34 -1.938 6.438 0.404
187 HG LEU 34 HG LEU 34 0.235 4.556 -0.986
188 1HD1 LEU 34 3HD1 LEU 34 -1.564 6.283 -1.623
189 2HD1 LEU 34 1HD1 LEU 34 -0.260 7.094 -2.490
190 3HD1 LEU 34 2HD1 LEU 34 -0.705 5.441 -2.913
191 1HD2 LEU 34 2HD2 LEU 34 2.117 6.852 -1.391
192 2HD2 LEU 34 3HD2 LEU 34 2.482 5.156 -1.080
193 3HD2 LEU 34 1HD2 LEU 34 1.854 5.647 -2.651
194 H ILE 35 H ILE 35 -2.812 4.553 -0.286
195 HA ILE 35 HA ILE 35 -1.935 2.109 1.116
196 HB ILE 35 HB ILE 35 -4.607 2.666 -0.185
197 1HG2 ILE 35 2HG2 ILE 35 -3.284 0.180 0.621
198 2HG2 ILE 35 3HG2 ILE 35 -4.906 0.381 1.284
199 3HG2 ILE 35 1HG2 ILE 35 -4.654 0.437 -0.461
200 1HD1 ILE 35 2HD1 ILE 35 -6.415 2.168 1.416
201 2HD1 ILE 35 3HD1 ILE 35 -5.903 1.615 3.010
202 3HD1 ILE 35 1HD1 ILE 35 -6.318 3.310 2.756
203 H ILE 36 H ILE 36 -0.859 0.675 -0.043
204 HA ILE 36 HA ILE 36 -0.902 0.936 -2.972
205 HB ILE 36 HB ILE 36 1.128 -0.473 -1.225
206 1HG2 ILE 36 1HG2 ILE 36 0.699 -1.103 -3.751
207 2HG2 ILE 36 2HG2 ILE 36 1.660 0.348 -4.038
208 3HG2 ILE 36 3HG2 ILE 36 2.335 -0.987 -3.103
209 1HD1 ILE 36 3HD1 ILE 36 3.280 0.560 -1.112
210 2HD1 ILE 36 1HD1 ILE 36 3.529 1.595 -2.517
211 3HD1 ILE 36 2HD1 ILE 36 3.314 2.313 -0.922
212 H VAL 37 H VAL 37 -1.701 -0.664 -4.210
213 HA VAL 37 HA VAL 37 -2.346 -3.220 -2.885
214 HB VAL 37 HB VAL 37 -4.298 -3.419 -4.416
215 1HG1 VAL 37 2HG1 VAL 37 -4.014 -1.544 -2.212
216 2HG1 VAL 37 3HG1 VAL 37 -5.355 -1.136 -3.284
217 3HG1 VAL 37 1HG1 VAL 37 -5.278 -2.730 -2.534
218 1HG2 VAL 37 2HG2 VAL 37 -3.187 -1.542 -5.949
219 2HG2 VAL 37 3HG2 VAL 37 -4.923 -1.844 -5.930
220 3HG2 VAL 37 1HG2 VAL 37 -4.250 -0.512 -4.991
221 H ALA 38 H ALA 38 -1.778 -5.058 -3.895
222 HA ALA 38 HA ALA 38 0.087 -4.964 -6.069
223 1HB ALA 38 1HB ALA 38 -0.605 -7.586 -5.868
224 2HB ALA 38 3HB ALA 38 -1.016 -6.992 -4.259
225 3HB ALA 38 2HB ALA 38 0.624 -6.792 -4.881
226 H ARG 39 H ARG 39 -0.203 -5.582 -8.202
227 HA ARG 39 HA ARG 39 -2.726 -5.074 -9.340
228 HE ARG 39 HE ARG 39 -0.701 -2.171 -12.475
229 1HH1 ARG 39 2HH1 ARG 39 1.972 -4.069 -13.735
230 2HH1 ARG 39 1HH1 ARG 39 2.613 -2.761 -14.690
231 1HH2 ARG 39 2HH2 ARG 39 0.127 -0.472 -13.736
232 2HH2 ARG 39 1HH2 ARG 39 1.555 -0.713 -14.698
233 H ASN 40 H ASN 40 -0.953 -8.158 -9.018
234 HA ASN 40 HA ASN 40 -3.295 -9.646 -9.844
235 1HD2 ASN 40 1HD2 ASN 40 -0.879 -12.837 -8.453
236 2HD2 ASN 40 2HD2 ASN 40 -1.931 -13.917 -9.310
237 H ALA 41 H ALA 41 -3.592 -8.087 -7.445
238 HA ALA 41 HA ALA 41 -3.790 -10.076 -5.313
239 1HB ALA 41 1HB ALA 41 -3.688 -7.188 -5.417
240 2HB ALA 41 2HB ALA 41 -5.045 -7.755 -4.445
241 3HB ALA 41 3HB ALA 41 -3.406 -8.276 -4.059
242 H ARG 42 H ARG 42 -5.914 -10.289 -4.195
243 HA ARG 42 HA ARG 42 -7.902 -11.089 -5.999
244 HE ARG 42 HE ARG 42 -7.814 -12.993 -6.715
245 1HH1 ARG 42 2HH1 ARG 42 -5.467 -13.929 -4.275
246 2HH1 ARG 42 1HH1 ARG 42 -4.105 -13.668 -5.322
247 1HH2 ARG 42 2HH2 ARG 42 -6.028 -12.633 -8.064
248 2HH2 ARG 42 1HH2 ARG 42 -4.420 -12.892 -7.459
249 HA PRO 43 HA PRO 43 -9.736 -7.282 -7.241
250 H ASP 44 H ASP 44 -11.648 -9.417 -5.141
251 HA ASP 44 HA ASP 44 -13.485 -7.527 -4.238
252 H ILE 45 H ILE 45 -10.228 -8.218 -3.148
253 HA ILE 45 HA ILE 45 -10.369 -6.523 -0.839
254 HB ILE 45 HB ILE 45 -8.051 -7.779 -2.306
255 1HG2 ILE 45 3HG2 ILE 45 -7.884 -5.482 -0.737
256 2HG2 ILE 45 1HG2 ILE 45 -7.366 -6.800 0.317
257 3HG2 ILE 45 2HG2 ILE 45 -6.559 -6.538 -1.229
258 1HD1 ILE 45 3HD1 ILE 45 -9.817 -7.259 0.780
259 2HD1 ILE 45 1HD1 ILE 45 -10.220 -8.952 1.063
260 3HD1 ILE 45 2HD1 ILE 45 -8.673 -8.311 1.613
261 H LYS 46 H LYS 46 -8.791 -6.250 -4.022
262 HA LYS 46 HA LYS 46 -7.771 -3.680 -3.732
263 1HZ LYS 46 1HZ LYS 46 -6.597 -5.695 -9.710
264 2HZ LYS 46 3HZ LYS 46 -5.611 -4.340 -9.981
265 3HZ LYS 46 2HZ LYS 46 -4.939 -5.780 -9.388
266 H GLU 47 H GLU 47 -10.856 -4.669 -5.190
267 HA GLU 47 HA GLU 47 -11.677 -2.140 -5.999
268 H ASP 48 H ASP 48 -12.372 -3.866 -2.980
269 HA ASP 48 HA ASP 48 -14.142 -1.900 -1.987
270 H ILE 49 H ILE 49 -10.681 -2.480 -1.488
271 HA ILE 49 HA ILE 49 -10.221 -0.514 0.453
272 HB ILE 49 HB ILE 49 -8.385 -1.579 -1.695
273 1HG2 ILE 49 3HG2 ILE 49 -8.007 0.589 0.247
274 2HG2 ILE 49 1HG2 ILE 49 -6.726 -0.624 0.228
275 3HG2 ILE 49 2HG2 ILE 49 -7.146 0.240 -1.252
276 1HD1 ILE 49 2HD1 ILE 49 -6.762 -3.210 -0.873
277 2HD1 ILE 49 3HD1 ILE 49 -6.320 -2.532 0.692
278 3HD1 ILE 49 1HD1 ILE 49 -7.100 -4.111 0.604
279 H GLU 50 H GLU 50 -9.906 -0.290 -3.098
280 HA GLU 50 HA GLU 50 -9.207 2.428 -3.145
281 H TYR 51 H TYR 51 -12.335 0.836 -3.112
282 HA TYR 51 HA TYR 51 -13.937 3.069 -3.742
283 HD1 TYR 51 1HD TYR 51 -16.605 0.630 -0.939
284 HD2 TYR 51 2HD TYR 51 -16.135 3.222 -4.280
285 HE1 TYR 51 1HE TYR 51 -18.881 1.487 -0.586
286 HE2 TYR 51 2HE TYR 51 -18.408 4.090 -3.933
287 HH TYR 51 HH TYR 51 -20.687 2.595 -2.137
288 H TYR 52 H TYR 52 -13.005 1.689 -0.609
289 HA TYR 52 HA TYR 52 -14.269 3.707 0.925
290 HD1 TYR 52 1HD TYR 52 -14.153 1.701 4.268
291 HD2 TYR 52 2HD TYR 52 -14.560 0.813 0.135
292 HE1 TYR 52 1HE TYR 52 -16.076 0.268 4.774
293 HE2 TYR 52 2HE TYR 52 -16.492 -0.627 0.632
294 HH TYR 52 HH TYR 52 -17.722 -0.945 3.950
295 H ALA 53 H ALA 53 -10.928 3.244 -0.140
296 HA ALA 53 HA ALA 53 -9.803 5.336 1.338
297 1HB ALA 53 1HB ALA 53 -8.052 4.227 0.525
298 2HB ALA 53 3HB ALA 53 -8.251 5.209 -0.927
299 3HB ALA 53 2HB ALA 53 -8.974 3.603 -0.843
300 H ARG 54 H ARG 54 -11.007 5.331 -2.023
301 HA ARG 54 HA ARG 54 -10.296 7.978 -2.580
302 HE ARG 54 HE ARG 54 -12.911 5.310 -5.107
303 1HH1 ARG 54 2HH1 ARG 54 -11.263 4.379 -8.057
304 2HH1 ARG 54 1HH1 ARG 54 -12.633 3.518 -8.695
305 1HH2 ARG 54 2HH2 ARG 54 -14.701 4.204 -5.930
306 2HH2 ARG 54 1HH2 ARG 54 -14.594 3.394 -7.468
307 H LEU 55 H LEU 55 -13.327 6.690 -1.223
308 HA LEU 55 HA LEU 55 -14.689 9.167 -1.365
309 HG LEU 55 HG LEU 55 -14.339 6.091 0.716
310 1HD1 LEU 55 3HD1 LEU 55 -15.098 8.037 2.253
311 2HD1 LEU 55 1HD1 LEU 55 -16.556 7.067 2.471
312 3HD1 LEU 55 2HD1 LEU 55 -14.983 6.406 2.918
313 1HD2 LEU 55 3HD2 LEU 55 -17.322 5.697 0.566
314 2HD2 LEU 55 1HD2 LEU 55 -16.084 4.827 -0.339
315 3HD2 LEU 55 2HD2 LEU 55 -16.214 4.614 1.405
316 H SER 56 H SER 56 -12.588 7.746 1.062
317 HA SER 56 HA SER 56 -13.056 9.805 3.010
318 HG SER 56 HG SER 56 -12.041 6.469 3.881
319 H GLY 57 H GLY 57 -10.739 9.198 0.447
320 1HA GLY 57 2HA GLY 57 -9.659 11.915 0.857
321 2HA GLY 57 1HA GLY 57 -9.761 11.113 -0.705
322 H ILE 58 H ILE 58 -8.874 8.562 0.303
323 HA ILE 58 HA ILE 58 -6.073 9.122 1.002
324 HB ILE 58 HB ILE 58 -7.611 6.521 1.141
325 1HG2 ILE 58 1HG2 ILE 58 -4.795 7.072 1.119
326 2HG2 ILE 58 2HG2 ILE 58 -5.265 6.378 2.672
327 3HG2 ILE 58 3HG2 ILE 58 -5.627 5.519 1.175
328 1HD1 ILE 58 1HD1 ILE 58 -7.121 5.607 3.481
329 2HD1 ILE 58 2HD1 ILE 58 -7.047 6.734 4.837
330 3HD1 ILE 58 3HD1 ILE 58 -8.598 6.363 4.084
331 HA PRO 59 HA PRO 59 -5.206 8.182 -3.292
332 H VAL 60 H VAL 60 -4.961 6.274 -4.310
333 HA VAL 60 HA VAL 60 -3.808 4.042 -2.770
334 HB VAL 60 HB VAL 60 -5.856 3.881 -4.993
335 1HG1 VAL 60 1HG1 VAL 60 -4.147 1.967 -4.590
336 2HG1 VAL 60 2HG1 VAL 60 -5.128 1.635 -3.162
337 3HG1 VAL 60 3HG1 VAL 60 -5.859 1.580 -4.766
338 1HG2 VAL 60 1HG2 VAL 60 -6.438 4.754 -2.557
339 2HG2 VAL 60 2HG2 VAL 60 -7.524 3.693 -3.456
340 3HG2 VAL 60 3HG2 VAL 60 -6.459 3.022 -2.219
341 H TYR 61 H TYR 61 -2.012 3.152 -3.574
342 HA TYR 61 HA TYR 61 -1.173 3.976 -6.260
343 HD1 TYR 61 1HD TYR 61 0.738 4.456 -7.339
344 HD2 TYR 61 2HD TYR 61 2.482 1.870 -4.444
345 HE1 TYR 61 1HE TYR 61 2.607 4.001 -8.875
346 HE2 TYR 61 2HE TYR 61 4.345 1.407 -5.973
347 HH TYR 61 HH TYR 61 5.376 2.041 -7.859
348 H GLU 62 H GLU 62 -1.257 2.599 -7.853
349 HA GLU 62 HA GLU 62 -1.877 -0.185 -7.451
350 H PHE 63 H PHE 63 -0.330 -1.557 -6.841
351 HA PHE 63 HA PHE 63 2.456 -1.010 -7.225
352 HD1 PHE 63 1HD PHE 63 4.301 -1.757 -6.592
353 HD2 PHE 63 2HD PHE 63 2.282 -5.384 -5.656
354 HE1 PHE 63 1HE PHE 63 6.459 -2.932 -6.500
355 HE2 PHE 63 2HE PHE 63 4.438 -6.560 -5.561
356 HZ PHE 63 HZ PHE 63 6.527 -5.331 -5.975
357 H GLU 64 H GLU 64 3.603 -1.422 -8.961
358 HA GLU 64 HA GLU 64 2.513 -2.882 -11.187
359 H GLY 65 H GLY 65 2.534 -4.615 -9.180
360 1HA GLY 65 2HA GLY 65 4.731 -6.087 -8.522
361 2HA GLY 65 1HA GLY 65 4.271 -6.697 -10.106
362 H THR 66 H THR 66 3.942 -8.687 -8.987
363 HA THR 66 HA THR 66 1.204 -9.136 -8.351
364 HB THR 66 HB THR 66 2.067 -11.495 -7.847
365 HG1 THR 66 1HG THR 66 4.445 -10.368 -8.970
366 1HG2 THR 66 1HG2 THR 66 1.138 -10.635 -10.058
367 2HG2 THR 66 3HG2 THR 66 2.815 -10.499 -10.586
368 3HG2 THR 66 2HG2 THR 66 2.158 -12.070 -10.134
369 H SER 67 H SER 67 0.524 -10.343 -6.387
370 HA SER 67 HA SER 67 1.176 -8.946 -4.034
371 HG SER 67 HG SER 67 -1.302 -12.108 -4.522
372 H VAL 68 H VAL 68 2.448 -11.834 -5.489
373 HA VAL 68 HA VAL 68 3.835 -12.892 -3.256
374 HB VAL 68 HB VAL 68 4.686 -13.107 -6.147
375 1HG1 VAL 68 1HG1 VAL 68 6.225 -13.882 -4.291
376 2HG1 VAL 68 2HG1 VAL 68 5.022 -15.125 -3.944
377 3HG1 VAL 68 3HG1 VAL 68 5.815 -15.080 -5.520
378 1HG2 VAL 68 1HG2 VAL 68 2.532 -14.554 -4.649
379 2HG2 VAL 68 2HG2 VAL 68 2.457 -13.792 -6.234
380 3HG2 VAL 68 3HG2 VAL 68 3.353 -15.294 -6.022
381 H GLU 69 H GLU 69 4.824 -10.735 -5.906
382 HA GLU 69 HA GLU 69 7.469 -10.342 -5.032
383 H LEU 70 H LEU 70 4.472 -8.603 -4.353
384 HA LEU 70 HA LEU 70 5.629 -6.494 -2.879
385 HG LEU 70 HG LEU 70 3.471 -6.030 -0.785
386 1HD1 LEU 70 3HD1 LEU 70 4.179 -4.477 -3.207
387 2HD1 LEU 70 1HD1 LEU 70 3.419 -3.615 -1.870
388 3HD1 LEU 70 2HD1 LEU 70 4.927 -4.492 -1.611
389 1HD2 LEU 70 1HD2 LEU 70 1.386 -5.271 -2.821
390 2HD2 LEU 70 2HD2 LEU 70 1.168 -6.294 -1.400
391 3HD2 LEU 70 3HD2 LEU 70 1.503 -4.573 -1.205
392 H GLY 71 H GLY 71 4.401 -9.668 -1.922
393 1HA GLY 71 2HA GLY 71 4.678 -10.905 -0.012
394 2HA GLY 71 1HA GLY 71 4.759 -9.381 0.857
395 H THR 72 H THR 72 6.882 -10.880 -1.581
396 HA THR 72 HA THR 72 8.935 -11.510 0.254
397 HB THR 72 HB THR 72 8.649 -12.529 -2.025
398 HG1 THR 72 1HG THR 72 10.637 -12.592 -0.676
399 1HG2 THR 72 2HG2 THR 72 8.972 -9.868 -2.895
400 2HG2 THR 72 1HG2 THR 72 10.385 -10.770 -3.446
401 3HG2 THR 72 3HG2 THR 72 8.765 -11.317 -3.880
402 H LEU 73 H LEU 73 8.165 -8.643 -1.556
403 HA LEU 73 HA LEU 73 10.612 -7.249 -1.240
404 HG LEU 73 HG LEU 73 9.002 -4.379 -2.927
405 1HD1 LEU 73 3HD1 LEU 73 10.431 -4.804 -0.378
406 2HD1 LEU 73 1HD1 LEU 73 11.238 -3.812 -1.591
407 3HD1 LEU 73 2HD1 LEU 73 9.633 -3.366 -1.011
408 1HD2 LEU 73 3HD2 LEU 73 10.888 -6.607 -3.104
409 2HD2 LEU 73 1HD2 LEU 73 10.394 -5.433 -4.323
410 3HD2 LEU 73 2HD2 LEU 73 11.641 -5.013 -3.151
411 H LEU 74 H LEU 74 7.627 -7.350 0.689
412 HA LEU 74 HA LEU 74 8.552 -5.608 2.728
413 HG LEU 74 HG LEU 74 5.861 -5.987 1.200
414 1HD1 LEU 74 3HD1 LEU 74 4.239 -7.021 3.016
415 2HD1 LEU 74 1HD1 LEU 74 4.156 -5.338 3.540
416 3HD1 LEU 74 2HD1 LEU 74 3.704 -5.771 1.892
417 1HD2 LEU 74 1HD2 LEU 74 6.218 -4.121 3.540
418 2HD2 LEU 74 2HD2 LEU 74 7.226 -4.192 2.094
419 3HD2 LEU 74 3HD2 LEU 74 5.542 -3.683 1.971
420 H GLY 75 H GLY 75 8.447 -9.159 2.474
421 1HA GLY 75 2HA GLY 75 10.043 -9.400 4.909
422 2HA GLY 75 1HA GLY 75 10.832 -9.836 3.402
423 H ARG 76 H ARG 76 7.576 -10.412 4.714
424 HA ARG 76 HA ARG 76 8.063 -13.146 5.231
425 HE ARG 76 HE ARG 76 4.762 -9.279 7.042
426 1HH1 ARG 76 2HH1 ARG 76 4.273 -12.680 7.710
427 2HH1 ARG 76 1HH1 ARG 76 5.008 -12.613 9.281
428 1HH2 ARG 76 2HH2 ARG 76 5.767 -9.187 9.094
429 2HH2 ARG 76 1HH2 ARG 76 5.896 -10.638 10.051
430 HA PRO 77 HA PRO 77 7.490 -14.889 1.213
431 H HIS 78 H HIS 78 5.163 -13.748 2.135
432 HA HIS 78 HA HIS 78 3.174 -15.705 1.215
433 HD1 HIS 78 1HD HIS 78 1.596 -17.408 2.700
434 HD2 HIS 78 2HD HIS 78 4.074 -15.616 5.514
435 HE1 HIS 78 1HE HIS 78 2.239 -19.237 4.301
436 HE2 HIS 78 2HE HIS 78 3.864 -18.158 5.904
437 H THR 79 H THR 79 1.562 -14.870 -0.045
438 HA THR 79 HA THR 79 2.142 -12.519 -1.465
439 HB THR 79 HB THR 79 -0.054 -12.828 -2.537
440 HG1 THR 79 1HG THR 79 -0.856 -13.769 -0.320
441 1HG2 THR 79 3HG2 THR 79 2.069 -14.378 -2.868
442 2HG2 THR 79 2HG2 THR 79 0.962 -15.609 -2.260
443 3HG2 THR 79 1HG2 THR 79 0.552 -14.692 -3.710
444 H VAL 80 H VAL 80 1.814 -10.459 -0.930
445 HA VAL 80 HA VAL 80 -0.187 -9.847 1.135
446 HB VAL 80 HB VAL 80 2.103 -8.148 0.118
447 1HG1 VAL 80 1HG1 VAL 80 0.185 -6.788 0.802
448 2HG1 VAL 80 2HG1 VAL 80 0.158 -7.610 2.362
449 3HG1 VAL 80 3HG1 VAL 80 1.539 -6.603 1.918
450 1HG2 VAL 80 3HG2 VAL 80 2.087 -10.250 1.980
451 2HG2 VAL 80 1HG2 VAL 80 3.381 -9.091 1.674
452 3HG2 VAL 80 2HG2 VAL 80 2.180 -8.761 2.922
453 H SER 81 H SER 81 -2.057 -9.108 0.460
454 HA SER 81 HA SER 81 -2.538 -8.490 -2.262
455 HG SER 81 HG SER 81 -4.331 -10.343 -1.355
456 H ALA 82 H ALA 82 -2.237 -6.539 0.660
457 HA ALA 82 HA ALA 82 -1.600 -4.185 -0.847
458 1HB ALA 82 2HB ALA 82 -4.193 -4.465 -0.809
459 2HB ALA 82 3HB ALA 82 -4.039 -3.900 0.854
460 3HB ALA 82 1HB ALA 82 -3.477 -2.888 -0.475
461 H LEU 83 H LEU 83 -0.988 -2.408 0.532
462 HA LEU 83 HA LEU 83 -0.759 -3.016 3.375
463 HG LEU 83 HG LEU 83 1.659 -0.830 1.620
464 1HD1 LEU 83 2HD1 LEU 83 3.814 -2.899 2.014
465 2HD1 LEU 83 3HD1 LEU 83 4.053 -1.357 1.191
466 3HD1 LEU 83 1HD1 LEU 83 3.610 -1.386 2.899
467 1HD2 LEU 83 1HD2 LEU 83 0.792 -2.542 -0.058
468 2HD2 LEU 83 2HD2 LEU 83 2.179 -1.572 -0.552
469 3HD2 LEU 83 3HD2 LEU 83 2.413 -3.236 -0.016
470 H ALA 84 H ALA 84 -0.872 -1.257 4.672
471 HA ALA 84 HA ALA 84 -1.612 1.237 3.341
472 1HB ALA 84 3HB ALA 84 -2.027 0.254 6.161
473 2HB ALA 84 2HB ALA 84 -3.243 0.425 4.892
474 3HB ALA 84 1HB ALA 84 -2.492 1.858 5.594
475 H VAL 85 H VAL 85 -0.127 2.733 3.123
476 HA VAL 85 HA VAL 85 2.178 2.874 4.903
477 HB VAL 85 HB VAL 85 1.460 4.652 2.559
478 1HG1 VAL 85 3HG1 VAL 85 3.117 5.386 4.439
479 2HG1 VAL 85 1HG1 VAL 85 4.225 4.288 3.615
480 3HG1 VAL 85 2HG1 VAL 85 3.520 5.652 2.744
481 1HG2 VAL 85 1HG2 VAL 85 1.911 2.113 2.169
482 2HG2 VAL 85 2HG2 VAL 85 2.680 3.316 1.133
483 3HG2 VAL 85 3HG2 VAL 85 3.593 2.569 2.444
484 H VAL 86 H VAL 86 1.515 3.662 6.836
485 HA VAL 86 HA VAL 86 -0.483 5.701 7.072
486 HB VAL 86 HB VAL 86 1.453 4.713 9.176
487 1HG1 VAL 86 2HG1 VAL 86 -0.081 6.923 9.326
488 2HG1 VAL 86 3HG1 VAL 86 -1.220 5.711 9.911
489 3HG1 VAL 86 1HG1 VAL 86 0.335 5.922 10.718
490 1HG2 VAL 86 1HG2 VAL 86 -1.272 3.728 8.363
491 2HG2 VAL 86 2HG2 VAL 86 0.241 2.823 8.414
492 3HG2 VAL 86 3HG2 VAL 86 -0.528 3.339 9.913
493 H ASP 87 H ASP 87 3.022 5.552 7.325
494 HA ASP 87 HA ASP 87 3.178 8.385 6.711
495 HA PRO 88 HA PRO 88 6.358 6.394 4.289
496 H GLY 89 H GLY 89 6.849 9.480 5.956
497 1HA GLY 89 2HA GLY 89 9.254 8.616 7.190
498 2HA GLY 89 1HA GLY 89 8.620 10.256 7.194
499 H GLU 90 H GLU 90 11.100 8.333 6.205
500 HA GLU 90 HA GLU 90 12.410 10.403 4.764
501 H SER 91 H SER 91 10.607 7.544 3.872
502 HA SER 91 HA SER 91 11.467 7.369 1.190
503 HG SER 91 HG SER 91 10.378 4.438 2.555
504 H ARG 92 H ARG 92 10.661 8.174 -0.685
505 HA ARG 92 HA ARG 92 8.600 10.255 -0.465
506 HE ARG 92 HE ARG 92 11.097 12.909 -1.396
507 1HH1 ARG 92 2HH1 ARG 92 12.317 13.434 -4.643
508 2HH1 ARG 92 1HH1 ARG 92 13.774 14.215 -4.099
509 1HH2 ARG 92 2HH2 ARG 92 12.965 13.927 -0.681
510 2HH2 ARG 92 1HH2 ARG 92 14.153 14.486 -1.827
511 H ILE 93 H ILE 93 7.564 7.826 -0.273
512 HA ILE 93 HA ILE 93 6.945 6.582 -2.749
513 HB ILE 93 HB ILE 93 6.979 5.366 -0.598
514 1HG2 ILE 93 1HG2 ILE 93 5.876 7.181 0.721
515 2HG2 ILE 93 2HG2 ILE 93 4.343 6.678 0.007
516 3HG2 ILE 93 3HG2 ILE 93 5.254 5.558 1.021
517 1HD1 ILE 93 2HD1 ILE 93 6.731 4.772 -3.182
518 2HD1 ILE 93 3HD1 ILE 93 6.382 3.200 -2.465
519 3HD1 ILE 93 1HD1 ILE 93 5.252 3.914 -3.615
520 H LEU 94 H LEU 94 5.549 9.199 -0.957
521 HA LEU 94 HA LEU 94 2.921 9.107 -1.995
522 HG LEU 94 HG LEU 94 4.122 9.792 0.780
523 1HD1 LEU 94 1HD1 LEU 94 2.765 12.427 0.778
524 2HD1 LEU 94 2HD1 LEU 94 2.445 11.335 2.124
525 3HD1 LEU 94 3HD1 LEU 94 4.097 11.840 1.772
526 1HD2 LEU 94 2HD2 LEU 94 2.153 8.736 -0.299
527 2HD2 LEU 94 3HD2 LEU 94 1.896 9.126 1.402
528 3HD2 LEU 94 1HD2 LEU 94 1.197 10.149 0.147
529 H ALA 95 H ALA 95 5.899 9.952 -3.428
530 HA ALA 95 HA ALA 95 4.966 11.716 -5.455
531 1HB ALA 95 1HB ALA 95 7.229 11.840 -5.393
532 2HB ALA 95 2HB ALA 95 7.418 10.143 -4.951
533 3HB ALA 95 3HB ALA 95 7.092 10.588 -6.628
534 H LEU 96 H LEU 96 4.967 8.263 -5.027
535 HA LEU 96 HA LEU 96 4.353 7.640 -7.768
536 HG LEU 96 HG LEU 96 6.022 4.625 -6.473
537 1HD1 LEU 96 3HD1 LEU 96 5.381 6.525 -8.547
538 2HD1 LEU 96 1HD1 LEU 96 7.113 6.485 -8.219
539 3HD1 LEU 96 2HD1 LEU 96 6.263 5.001 -8.644
540 1HD2 LEU 96 1HD2 LEU 96 6.353 7.048 -5.068
541 2HD2 LEU 96 2HD2 LEU 96 7.489 5.707 -5.221
542 3HD2 LEU 96 3HD2 LEU 96 7.533 7.036 -6.380
543 H GLY 97 H GLY 97 2.584 8.321 -4.854
544 1HA GLY 97 2HA GLY 97 0.147 7.217 -5.159
545 2HA GLY 97 1HA GLY 97 0.126 8.498 -6.363
546 H GLY 98 H GLY 98 -0.854 10.238 -5.674
547 1HA GLY 98 2HA GLY 98 -0.106 11.607 -3.299
548 2HA GLY 98 1HA GLY 98 -1.654 10.794 -3.088
549 H LYS 99 H LYS 99 -3.377 11.941 -3.597
550 HA LYS 99 HA LYS 99 -3.511 13.503 -5.973
551 1HZ LYS 99 3HZ LYS 99 -8.221 16.015 -4.422
552 2HZ LYS 99 2HZ LYS 99 -7.717 16.701 -5.888
553 3HZ LYS 99 1HZ LYS 99 -9.369 16.602 -5.523
554 H GLU 100 H GLU 100 -3.120 15.580 -6.267
555 HA GLU 100 HA GLU 100 -3.000 17.377 -3.949
No H/Q in entry = 555
Start of MODEL 7
1 H1 GLY -2 1H GLY -2 11.572 1.334 -15.083
2 H2 GLY -2 3H GLY -2 12.621 0.079 -15.529
3 H3 GLY -2 2H GLY -2 12.031 1.153 -16.704
4 1HA GLY -2 1HA GLY -2 10.960 -1.134 -16.587
5 2HA GLY -2 2HA GLY -2 9.898 0.267 -16.650
6 H SER -1 H SER -1 8.187 -0.176 -15.462
7 HA SER -1 HA SER -1 6.877 -0.576 -13.656
8 HG SER -1 HG SER -1 6.588 -2.759 -14.466
9 H VAL 1 H VAL 1 8.711 1.533 -13.534
10 HA VAL 1 HA VAL 1 9.904 2.927 -12.212
11 HB VAL 1 HB VAL 1 8.771 3.596 -10.108
12 1HG1 VAL 1 2HG1 VAL 1 7.102 3.272 -12.590
13 2HG1 VAL 1 3HG1 VAL 1 6.637 4.282 -11.221
14 3HG1 VAL 1 1HG1 VAL 1 8.102 4.650 -12.131
15 1HG2 VAL 1 3HG2 VAL 1 7.571 1.002 -10.333
16 2HG2 VAL 1 1HG2 VAL 1 7.476 2.167 -9.010
17 3HG2 VAL 1 2HG2 VAL 1 6.318 2.245 -10.339
18 H ASP 2 H ASP 2 9.868 2.756 -9.190
19 HA ASP 2 HA ASP 2 11.216 0.385 -8.414
20 H PHE 3 H PHE 3 11.018 0.223 -6.265
21 HA PHE 3 HA PHE 3 11.317 2.456 -4.507
22 HD1 PHE 3 1HD PHE 3 8.353 -0.152 -3.593
23 HD2 PHE 3 2HD PHE 3 7.737 2.387 -6.949
24 HE1 PHE 3 1HE PHE 3 6.685 -1.729 -4.476
25 HE2 PHE 3 2HE PHE 3 6.080 0.824 -7.842
26 HZ PHE 3 HZ PHE 3 5.485 -1.180 -6.595
27 H ALA 4 H ALA 4 12.190 -0.364 -4.871
28 HA ALA 4 HA ALA 4 11.048 -1.992 -2.865
29 1HB ALA 4 1HB ALA 4 12.644 -2.625 -4.793
30 2HB ALA 4 3HB ALA 4 12.795 -3.476 -3.255
31 3HB ALA 4 2HB ALA 4 13.928 -2.189 -3.666
32 H PHE 5 H PHE 5 13.960 0.056 -2.867
33 HA PHE 5 HA PHE 5 14.478 -0.395 -0.101
34 HD1 PHE 5 1HD PHE 5 15.665 3.375 0.095
35 HD2 PHE 5 2HD PHE 5 15.602 1.682 -3.806
36 HE1 PHE 5 1HE PHE 5 15.544 5.632 -0.880
37 HE2 PHE 5 2HE PHE 5 15.489 3.933 -4.787
38 HZ PHE 5 HZ PHE 5 15.615 5.921 -3.311
39 H GLU 6 H GLU 6 12.522 1.824 -1.890
40 HA GLU 6 HA GLU 6 12.091 3.732 0.173
41 H LEU 7 H LEU 7 10.423 0.760 -0.813
42 HA LEU 7 HA LEU 7 8.320 0.897 1.057
43 HG LEU 7 HG LEU 7 8.217 -0.086 -1.825
44 1HD1 LEU 7 1HD1 LEU 7 8.266 -2.650 -1.831
45 2HD1 LEU 7 2HD1 LEU 7 6.657 -2.547 -1.117
46 3HD1 LEU 7 3HD1 LEU 7 6.966 -1.847 -2.706
47 1HD2 LEU 7 1HD2 LEU 7 6.805 0.824 0.059
48 2HD2 LEU 7 2HD2 LEU 7 5.924 0.343 -1.393
49 3HD2 LEU 7 3HD2 LEU 7 5.928 -0.705 0.027
50 H ARG 8 H ARG 8 11.483 -0.756 1.206
51 HA ARG 8 HA ARG 8 11.051 -1.749 3.825
52 HE ARG 8 HE ARG 8 15.254 -2.218 4.286
53 1HH1 ARG 8 2HH1 ARG 8 16.451 1.064 4.530
54 2HH1 ARG 8 1HH1 ARG 8 17.382 0.761 5.969
55 1HH2 ARG 8 2HH2 ARG 8 16.462 -2.633 6.195
56 2HH2 ARG 8 1HH2 ARG 8 17.374 -1.344 6.925
57 H LYS 9 H LYS 9 12.334 1.240 2.597
58 HA LYS 9 HA LYS 9 13.448 2.217 5.014
59 1HZ LYS 9 3HZ LYS 9 16.471 6.285 3.800
60 2HZ LYS 9 2HZ LYS 9 16.282 4.610 3.986
61 3HZ LYS 9 1HZ LYS 9 17.335 5.214 2.806
62 H ALA 10 H ALA 10 10.302 2.682 3.439
63 HA ALA 10 HA ALA 10 9.155 4.365 5.374
64 1HB ALA 10 1HB ALA 10 7.146 2.690 4.245
65 2HB ALA 10 2HB ALA 10 7.520 4.374 3.875
66 3HB ALA 10 3HB ALA 10 8.328 3.076 2.994
67 H GLN 11 H GLN 11 9.292 0.855 5.089
68 HA GLN 11 HA GLN 11 7.611 0.247 7.269
69 1HE2 GLN 11 1HE2 GLN 11 6.809 -4.117 6.896
70 2HE2 GLN 11 2HE2 GLN 11 7.800 -5.391 6.267
71 H ASP 12 H ASP 12 11.108 0.759 7.049
72 HA ASP 12 HA ASP 12 11.576 -0.016 9.753
73 H THR 13 H THR 13 11.696 3.162 8.107
74 HA THR 13 HA THR 13 12.127 4.432 10.671
75 HB THR 13 HB THR 13 13.363 5.141 8.592
76 HG1 THR 13 1HG THR 13 11.898 7.315 9.694
77 1HG2 THR 13 1HG2 THR 13 11.062 5.162 7.288
78 2HG2 THR 13 3HG2 THR 13 11.046 6.839 7.836
79 3HG2 THR 13 2HG2 THR 13 12.385 6.246 6.854
80 H GLY 14 H GLY 14 9.501 4.144 8.346
81 1HA GLY 14 2HA GLY 14 7.512 5.412 8.267
82 2HA GLY 14 1HA GLY 14 7.936 6.130 9.812
83 H LYS 15 H LYS 15 5.550 4.612 8.641
84 HA LYS 15 HA LYS 15 5.316 2.375 10.496
85 1HZ LYS 15 1HZ LYS 15 5.379 6.913 13.422
86 2HZ LYS 15 3HZ LYS 15 4.990 7.618 11.927
87 3HZ LYS 15 2HZ LYS 15 4.368 8.274 13.358
88 H ILE 16 H ILE 16 4.638 0.774 9.229
89 HA ILE 16 HA ILE 16 2.644 1.369 7.129
90 HB ILE 16 HB ILE 16 4.824 -0.725 7.008
91 1HG2 ILE 16 1HG2 ILE 16 2.642 -1.164 5.803
92 2HG2 ILE 16 2HG2 ILE 16 3.056 0.202 4.763
93 3HG2 ILE 16 3HG2 ILE 16 4.107 -1.215 4.819
94 1HD1 ILE 16 1HD1 ILE 16 3.622 2.557 5.840
95 2HD1 ILE 16 2HD1 ILE 16 5.175 3.109 5.216
96 3HD1 ILE 16 3HD1 ILE 16 4.218 1.947 4.295
97 H VAL 17 H VAL 17 0.779 0.314 7.389
98 HA VAL 17 HA VAL 17 0.712 -2.059 9.125
99 HB VAL 17 HB VAL 17 -1.609 -0.431 8.069
100 1HG1 VAL 17 1HG1 VAL 17 -1.668 -2.986 8.994
101 2HG1 VAL 17 2HG1 VAL 17 -1.938 -2.074 10.478
102 3HG1 VAL 17 3HG1 VAL 17 -3.015 -1.852 9.099
103 1HG2 VAL 17 2HG2 VAL 17 -0.049 0.769 9.650
104 2HG2 VAL 17 3HG2 VAL 17 -1.732 0.663 10.159
105 3HG2 VAL 17 1HG2 VAL 17 -0.528 -0.408 10.874
106 H MET 18 H MET 18 0.982 -3.903 8.014
107 HA MET 18 HA MET 18 0.128 -4.028 5.231
108 1HE MET 18 2HE MET 18 4.069 -5.174 6.839
109 2HE MET 18 3HE MET 18 5.329 -6.314 7.310
110 3HE MET 18 1HE MET 18 4.847 -6.182 5.619
111 H GLY 19 H GLY 19 -1.466 -5.293 4.443
112 1HA GLY 19 2HA GLY 19 -3.287 -6.460 6.406
113 2HA GLY 19 1HA GLY 19 -2.615 -7.554 5.203
114 H ALA 20 H ALA 20 -4.211 -7.994 3.817
115 HA ALA 20 HA ALA 20 -5.204 -5.979 2.079
116 1HB ALA 20 1HB ALA 20 -6.350 -8.737 2.469
117 2HB ALA 20 2HB ALA 20 -6.464 -7.714 1.036
118 3HB ALA 20 3HB ALA 20 -4.910 -8.403 1.508
119 H ARG 21 H ARG 21 -6.716 -7.862 4.681
120 HA ARG 21 HA ARG 21 -9.208 -6.470 4.597
121 HE ARG 21 HE ARG 21 -7.209 -10.072 6.415
122 1HH1 ARG 21 2HH1 ARG 21 -9.513 -12.580 7.245
123 2HH1 ARG 21 1HH1 ARG 21 -8.337 -13.550 8.076
124 1HH2 ARG 21 2HH2 ARG 21 -5.660 -11.364 7.498
125 2HH2 ARG 21 1HH2 ARG 21 -6.161 -12.867 8.223
126 H LYS 22 H LYS 22 -6.211 -6.111 6.400
127 HA LYS 22 HA LYS 22 -7.069 -4.145 8.229
128 1HZ LYS 22 3HZ LYS 22 -3.842 -5.773 11.980
129 2HZ LYS 22 2HZ LYS 22 -2.978 -4.781 10.914
130 3HZ LYS 22 1HZ LYS 22 -3.501 -4.169 12.404
131 H SER 23 H SER 23 -5.674 -3.896 4.981
132 HA SER 23 HA SER 23 -5.513 -1.087 4.899
133 HG SER 23 HG SER 23 -5.935 -0.497 2.427
134 H ILE 24 H ILE 24 -8.097 -3.347 4.046
135 HA ILE 24 HA ILE 24 -9.886 -1.509 2.892
136 HB ILE 24 HB ILE 24 -10.462 -4.041 4.442
137 1HG2 ILE 24 1HG2 ILE 24 -12.304 -2.393 2.715
138 2HG2 ILE 24 2HG2 ILE 24 -12.678 -3.986 3.373
139 3HG2 ILE 24 3HG2 ILE 24 -12.426 -2.620 4.458
140 1HD1 ILE 24 1HD1 ILE 24 -11.158 -5.886 3.045
141 2HD1 ILE 24 2HD1 ILE 24 -11.802 -5.276 1.520
142 3HD1 ILE 24 3HD1 ILE 24 -10.251 -6.114 1.551
143 H GLN 25 H GLN 25 -9.445 -2.568 6.243
144 HA GLN 25 HA GLN 25 -11.566 -1.108 7.366
145 1HE2 GLN 25 1HE2 GLN 25 -12.021 -2.880 11.485
146 2HE2 GLN 25 2HE2 GLN 25 -13.625 -2.579 10.918
147 H TYR 26 H TYR 26 -8.132 -0.295 6.979
148 HA TYR 26 HA TYR 26 -8.272 2.237 8.222
149 HD1 TYR 26 1HD TYR 26 -7.112 -0.260 8.902
150 HD2 TYR 26 2HD TYR 26 -4.355 2.892 8.150
151 HE1 TYR 26 1HE TYR 26 -5.938 -0.796 10.997
152 HE2 TYR 26 2HE TYR 26 -3.172 2.360 10.235
153 HH TYR 26 HH TYR 26 -3.067 1.071 12.009
154 H ALA 27 H ALA 27 -8.652 1.220 4.856
155 HA ALA 27 HA ALA 27 -8.841 3.825 3.754
156 1HB ALA 27 3HB ALA 27 -9.558 1.084 2.828
157 2HB ALA 27 1HB ALA 27 -10.158 2.479 1.932
158 3HB ALA 27 2HB ALA 27 -8.423 2.246 2.140
159 H LYS 28 H LYS 28 -11.219 1.535 4.974
160 HA LYS 28 HA LYS 28 -13.563 2.885 4.260
161 1HZ LYS 28 2HZ LYS 28 -16.850 -2.051 6.948
162 2HZ LYS 28 1HZ LYS 28 -16.195 -2.921 5.648
163 3HZ LYS 28 3HZ LYS 28 -15.281 -2.687 7.057
164 H MET 29 H MET 29 -11.706 2.968 7.285
165 HA MET 29 HA MET 29 -13.371 4.930 8.494
166 1HE MET 29 1HE MET 29 -13.049 3.185 11.385
167 2HE MET 29 2HE MET 29 -14.016 3.828 12.714
168 3HE MET 29 3HE MET 29 -14.736 3.625 11.117
169 H GLY 30 H GLY 30 -10.324 5.051 6.727
170 1HA GLY 30 2HA GLY 30 -10.667 7.949 6.431
171 2HA GLY 30 1HA GLY 30 -9.589 6.932 5.483
172 H GLY 31 H GLY 31 -7.941 5.733 7.029
173 1HA GLY 31 2HA GLY 31 -6.972 6.280 9.359
174 2HA GLY 31 1HA GLY 31 -6.685 7.856 8.634
175 H ALA 32 H ALA 32 -5.626 7.528 6.306
176 HA ALA 32 HA ALA 32 -3.061 6.330 6.835
177 1HB ALA 32 2HB ALA 32 -3.026 4.634 5.262
178 2HB ALA 32 1HB ALA 32 -4.391 5.294 4.366
179 3HB ALA 32 3HB ALA 32 -4.658 4.488 5.910
180 H LYS 33 H LYS 33 -1.479 7.327 5.695
181 HA LYS 33 HA LYS 33 -2.141 9.709 4.278
182 1HZ LYS 33 2HZ LYS 33 1.795 12.885 4.632
183 2HZ LYS 33 1HZ LYS 33 1.206 13.520 6.088
184 3HZ LYS 33 3HZ LYS 33 1.712 11.905 6.015
185 H LEU 34 H LEU 34 -0.735 6.599 3.331
186 HA LEU 34 HA LEU 34 -1.736 7.011 0.612
187 HG LEU 34 HG LEU 34 0.202 5.094 -0.798
188 1HD1 LEU 34 3HD1 LEU 34 -1.196 7.184 -1.366
189 2HD1 LEU 34 1HD1 LEU 34 0.296 7.795 -2.082
190 3HD1 LEU 34 2HD1 LEU 34 -0.420 6.298 -2.679
191 1HD2 LEU 34 2HD2 LEU 34 2.582 6.765 -0.541
192 2HD2 LEU 34 3HD2 LEU 34 2.421 5.092 -1.077
193 3HD2 LEU 34 1HD2 LEU 34 2.133 6.415 -2.209
194 H ILE 35 H ILE 35 -2.308 5.054 -0.416
195 HA ILE 35 HA ILE 35 -1.854 2.637 1.212
196 HB ILE 35 HB ILE 35 -4.372 3.372 -0.285
197 1HG2 ILE 35 2HG2 ILE 35 -3.286 0.826 -0.079
198 2HG2 ILE 35 3HG2 ILE 35 -4.489 0.893 1.210
199 3HG2 ILE 35 1HG2 ILE 35 -4.961 1.229 -0.457
200 1HD1 ILE 35 3HD1 ILE 35 -6.094 2.036 1.759
201 2HD1 ILE 35 1HD1 ILE 35 -6.053 3.130 3.141
202 3HD1 ILE 35 2HD1 ILE 35 -6.412 3.756 1.531
203 H ILE 36 H ILE 36 -0.926 0.984 0.183
204 HA ILE 36 HA ILE 36 -0.786 1.120 -2.762
205 HB ILE 36 HB ILE 36 1.288 -0.039 -0.886
206 1HG2 ILE 36 1HG2 ILE 36 0.793 -0.442 -3.674
207 2HG2 ILE 36 2HG2 ILE 36 2.333 0.394 -3.466
208 3HG2 ILE 36 3HG2 ILE 36 2.051 -1.145 -2.654
209 1HD1 ILE 36 3HD1 ILE 36 3.468 0.947 -1.242
210 2HD1 ILE 36 1HD1 ILE 36 3.600 2.269 -2.403
211 3HD1 ILE 36 2HD1 ILE 36 3.380 2.619 -0.687
212 H VAL 37 H VAL 37 -1.651 -0.545 -3.806
213 HA VAL 37 HA VAL 37 -2.008 -3.085 -2.361
214 HB VAL 37 HB VAL 37 -4.212 -3.390 -3.342
215 1HG1 VAL 37 3HG1 VAL 37 -3.575 -1.492 -1.368
216 2HG1 VAL 37 1HG1 VAL 37 -4.883 -0.804 -2.331
217 3HG1 VAL 37 2HG1 VAL 37 -5.083 -2.383 -1.573
218 1HG2 VAL 37 1HG2 VAL 37 -3.431 -1.106 -4.967
219 2HG2 VAL 37 2HG2 VAL 37 -4.644 -2.348 -5.269
220 3HG2 VAL 37 3HG2 VAL 37 -5.048 -0.941 -4.286
221 H ALA 38 H ALA 38 -1.650 -4.924 -3.554
222 HA ALA 38 HA ALA 38 -0.174 -4.686 -5.983
223 1HB ALA 38 2HB ALA 38 -0.836 -7.282 -5.977
224 2HB ALA 38 1HB ALA 38 -1.147 -6.903 -4.282
225 3HB ALA 38 3HB ALA 38 0.453 -6.617 -4.971
226 H ARG 39 H ARG 39 -0.922 -4.555 -8.023
227 HA ARG 39 HA ARG 39 -3.659 -4.152 -8.468
228 HE ARG 39 HE ARG 39 -2.857 -4.170 -12.732
229 1HH1 ARG 39 2HH1 ARG 39 0.151 -2.939 -14.062
230 2HH1 ARG 39 1HH1 ARG 39 -0.623 -2.188 -15.431
231 1HH2 ARG 39 2HH2 ARG 39 -3.853 -3.205 -14.512
232 2HH2 ARG 39 1HH2 ARG 39 -2.906 -2.322 -15.672
233 H ASN 40 H ASN 40 -1.681 -6.991 -8.663
234 HA ASN 40 HA ASN 40 -3.776 -8.533 -9.973
235 1HD2 ASN 40 1HD2 ASN 40 -4.101 -10.032 -10.618
236 2HD2 ASN 40 2HD2 ASN 40 -3.784 -11.642 -11.172
237 H ALA 41 H ALA 41 -3.882 -7.368 -7.136
238 HA ALA 41 HA ALA 41 -4.028 -9.695 -5.436
239 1HB ALA 41 3HB ALA 41 -3.486 -7.330 -4.661
240 2HB ALA 41 2HB ALA 41 -4.643 -8.243 -3.693
241 3HB ALA 41 1HB ALA 41 -5.213 -7.005 -4.812
242 H ARG 42 H ARG 42 -6.107 -10.136 -4.229
243 HA ARG 42 HA ARG 42 -8.064 -11.007 -6.001
244 HE ARG 42 HE ARG 42 -7.964 -15.431 -4.274
245 1HH1 ARG 42 2HH1 ARG 42 -5.826 -13.163 -5.878
246 2HH1 ARG 42 1HH1 ARG 42 -4.430 -14.197 -5.758
247 1HH2 ARG 42 2HH2 ARG 42 -6.149 -16.798 -4.130
248 2HH2 ARG 42 1HH2 ARG 42 -4.618 -16.273 -4.766
249 HA PRO 43 HA PRO 43 -10.235 -7.372 -7.187
250 H ASP 44 H ASP 44 -11.775 -9.612 -4.910
251 HA ASP 44 HA ASP 44 -13.766 -7.955 -3.878
252 H ILE 45 H ILE 45 -10.398 -8.329 -2.895
253 HA ILE 45 HA ILE 45 -10.463 -6.541 -0.708
254 HB ILE 45 HB ILE 45 -8.136 -7.416 -2.430
255 1HG2 ILE 45 3HG2 ILE 45 -7.962 -5.291 -0.911
256 2HG2 ILE 45 1HG2 ILE 45 -7.817 -6.484 0.380
257 3HG2 ILE 45 2HG2 ILE 45 -6.660 -6.480 -0.951
258 1HD1 ILE 45 1HD1 ILE 45 -10.231 -7.948 0.577
259 2HD1 ILE 45 2HD1 ILE 45 -9.561 -9.529 0.979
260 3HD1 ILE 45 3HD1 ILE 45 -8.635 -8.068 1.322
261 H LYS 46 H LYS 46 -9.343 -6.153 -4.057
262 HA LYS 46 HA LYS 46 -8.547 -3.484 -3.837
263 1HZ LYS 46 3HZ LYS 46 -6.320 -6.606 -9.329
264 2HZ LYS 46 2HZ LYS 46 -7.771 -7.404 -9.693
265 3HZ LYS 46 1HZ LYS 46 -7.612 -5.740 -10.001
266 H GLU 47 H GLU 47 -11.672 -4.878 -4.729
267 HA GLU 47 HA GLU 47 -12.917 -2.550 -5.621
268 H ASP 48 H ASP 48 -12.755 -3.900 -2.333
269 HA ASP 48 HA ASP 48 -14.370 -1.853 -1.186
270 H ILE 49 H ILE 49 -10.847 -2.399 -1.174
271 HA ILE 49 HA ILE 49 -10.147 -0.219 0.363
272 HB ILE 49 HB ILE 49 -8.556 -1.487 -1.864
273 1HG2 ILE 49 2HG2 ILE 49 -7.960 0.920 -0.891
274 2HG2 ILE 49 3HG2 ILE 49 -7.223 -0.069 0.372
275 3HG2 ILE 49 1HG2 ILE 49 -6.722 -0.265 -1.307
276 1HD1 ILE 49 2HD1 ILE 49 -6.930 -3.223 -1.039
277 2HD1 ILE 49 3HD1 ILE 49 -6.315 -2.286 0.322
278 3HD1 ILE 49 1HD1 ILE 49 -7.089 -3.846 0.604
279 H GLU 50 H GLU 50 -10.064 -0.310 -3.216
280 HA GLU 50 HA GLU 50 -9.252 2.333 -3.521
281 H TYR 51 H TYR 51 -12.502 1.000 -3.303
282 HA TYR 51 HA TYR 51 -13.865 3.377 -4.032
283 HD1 TYR 51 1HD TYR 51 -16.876 0.976 -1.459
284 HD2 TYR 51 2HD TYR 51 -16.003 3.855 -4.462
285 HE1 TYR 51 1HE TYR 51 -19.076 2.013 -1.098
286 HE2 TYR 51 2HE TYR 51 -18.199 4.899 -4.113
287 HH TYR 51 HH TYR 51 -19.937 4.747 -1.659
288 H TYR 52 H TYR 52 -13.206 1.879 -0.886
289 HA TYR 52 HA TYR 52 -14.393 3.886 0.683
290 HD1 TYR 52 1HD TYR 52 -13.085 0.116 3.062
291 HD2 TYR 52 2HD TYR 52 -15.531 2.278 0.337
292 HE1 TYR 52 1HE TYR 52 -14.839 -1.590 3.290
293 HE2 TYR 52 2HE TYR 52 -17.286 0.576 0.557
294 HH TYR 52 HH TYR 52 -17.997 -1.103 2.294
295 H ALA 53 H ALA 53 -11.021 3.357 -0.282
296 HA ALA 53 HA ALA 53 -9.939 5.526 1.128
297 1HB ALA 53 2HB ALA 53 -8.939 3.490 -0.436
298 2HB ALA 53 3HB ALA 53 -8.524 4.951 -1.334
299 3HB ALA 53 1HB ALA 53 -8.006 4.769 0.344
300 H ARG 54 H ARG 54 -11.240 5.302 -2.169
301 HA ARG 54 HA ARG 54 -10.471 7.857 -3.030
302 HE ARG 54 HE ARG 54 -9.013 6.932 -4.903
303 1HH1 ARG 54 2HH1 ARG 54 -10.280 10.117 -5.692
304 2HH1 ARG 54 1HH1 ARG 54 -9.171 10.952 -4.641
305 1HH2 ARG 54 2HH2 ARG 54 -7.570 8.029 -3.528
306 2HH2 ARG 54 1HH2 ARG 54 -7.602 9.767 -3.445
307 H LEU 55 H LEU 55 -13.360 6.751 -1.326
308 HA LEU 55 HA LEU 55 -14.683 9.257 -1.275
309 HG LEU 55 HG LEU 55 -15.406 6.140 -1.584
310 1HD1 LEU 55 1HD1 LEU 55 -17.868 6.590 0.095
311 2HD1 LEU 55 2HD1 LEU 55 -17.710 5.394 -1.191
312 3HD1 LEU 55 3HD1 LEU 55 -16.713 5.267 0.258
313 1HD2 LEU 55 1HD2 LEU 55 -17.278 8.493 -1.687
314 2HD2 LEU 55 2HD2 LEU 55 -15.939 8.125 -2.770
315 3HD2 LEU 55 3HD2 LEU 55 -17.385 7.115 -2.783
316 H SER 56 H SER 56 -12.617 7.580 1.064
317 HA SER 56 HA SER 56 -12.728 9.594 3.041
318 HG SER 56 HG SER 56 -11.966 6.149 3.673
319 H GLY 57 H GLY 57 -10.921 9.333 0.127
320 1HA GLY 57 2HA GLY 57 -9.637 11.892 0.688
321 2HA GLY 57 1HA GLY 57 -9.723 11.089 -0.874
322 H ILE 58 H ILE 58 -8.765 8.565 -0.018
323 HA ILE 58 HA ILE 58 -5.969 9.207 0.678
324 HB ILE 58 HB ILE 58 -7.341 6.523 0.940
325 1HG2 ILE 58 1HG2 ILE 58 -4.635 7.542 1.776
326 2HG2 ILE 58 2HG2 ILE 58 -5.333 6.034 2.372
327 3HG2 ILE 58 3HG2 ILE 58 -5.004 6.236 0.652
328 1HD1 ILE 58 2HD1 ILE 58 -6.735 5.903 3.560
329 2HD1 ILE 58 3HD1 ILE 58 -7.495 7.030 4.683
330 3HD1 ILE 58 1HD1 ILE 58 -8.477 6.172 3.495
331 HA PRO 59 HA PRO 59 -5.266 7.999 -3.574
332 H VAL 60 H VAL 60 -5.159 6.002 -4.382
333 HA VAL 60 HA VAL 60 -3.677 3.955 -2.860
334 HB VAL 60 HB VAL 60 -6.031 3.569 -4.721
335 1HG1 VAL 60 2HG1 VAL 60 -4.390 1.617 -3.122
336 2HG1 VAL 60 3HG1 VAL 60 -5.990 1.239 -3.764
337 3HG1 VAL 60 1HG1 VAL 60 -4.668 1.634 -4.866
338 1HG2 VAL 60 1HG2 VAL 60 -5.785 3.687 -1.743
339 2HG2 VAL 60 2HG2 VAL 60 -6.964 4.466 -2.799
340 3HG2 VAL 60 3HG2 VAL 60 -7.056 2.729 -2.504
341 H TYR 61 H TYR 61 -1.984 3.035 -3.827
342 HA TYR 61 HA TYR 61 -1.639 3.522 -6.707
343 HD1 TYR 61 1HD TYR 61 0.028 4.304 -8.075
344 HD2 TYR 61 2HD TYR 61 2.345 1.837 -5.498
345 HE1 TYR 61 1HE TYR 61 1.603 3.867 -9.915
346 HE2 TYR 61 2HE TYR 61 3.922 1.392 -7.326
347 HH TYR 61 HH TYR 61 4.403 3.087 -9.776
348 H GLU 62 H GLU 62 -1.605 1.887 -8.078
349 HA GLU 62 HA GLU 62 -2.002 -0.810 -7.107
350 H PHE 63 H PHE 63 -0.444 -2.215 -6.800
351 HA PHE 63 HA PHE 63 2.258 -1.529 -7.094
352 HD1 PHE 63 1HD PHE 63 3.733 -2.142 -5.116
353 HD2 PHE 63 2HD PHE 63 2.813 -5.788 -7.098
354 HE1 PHE 63 1HE PHE 63 6.042 -2.915 -4.765
355 HE2 PHE 63 2HE PHE 63 5.117 -6.563 -6.752
356 HZ PHE 63 HZ PHE 63 6.753 -5.073 -5.600
357 H GLU 64 H GLU 64 3.791 -2.035 -8.553
358 HA GLU 64 HA GLU 64 3.015 -2.875 -11.183
359 H GLY 65 H GLY 65 2.371 -4.989 -9.583
360 1HA GLY 65 2HA GLY 65 4.451 -6.903 -9.291
361 2HA GLY 65 1HA GLY 65 3.593 -7.163 -10.800
362 H THR 66 H THR 66 3.813 -8.665 -8.184
363 HA THR 66 HA THR 66 0.928 -9.111 -7.822
364 HB THR 66 HB THR 66 1.633 -11.433 -7.126
365 HG1 THR 66 1HG THR 66 3.838 -11.908 -8.130
366 1HG2 THR 66 1HG2 THR 66 2.078 -10.383 -9.901
367 2HG2 THR 66 3HG2 THR 66 2.307 -12.093 -9.535
368 3HG2 THR 66 2HG2 THR 66 0.735 -11.341 -9.275
369 H SER 67 H SER 67 0.538 -10.354 -5.669
370 HA SER 67 HA SER 67 1.200 -8.666 -3.499
371 HG SER 67 HG SER 67 -1.801 -9.891 -2.997
372 H VAL 68 H VAL 68 2.467 -11.751 -4.644
373 HA VAL 68 HA VAL 68 4.200 -12.311 -2.491
374 HB VAL 68 HB VAL 68 4.688 -13.019 -5.389
375 1HG1 VAL 68 1HG1 VAL 68 6.188 -13.495 -3.076
376 2HG1 VAL 68 2HG1 VAL 68 5.399 -15.023 -3.459
377 3HG1 VAL 68 3HG1 VAL 68 6.406 -14.225 -4.665
378 1HG2 VAL 68 1HG2 VAL 68 2.554 -13.836 -3.635
379 2HG2 VAL 68 2HG2 VAL 68 2.810 -14.206 -5.340
380 3HG2 VAL 68 3HG2 VAL 68 3.551 -15.215 -4.098
381 H GLU 69 H GLU 69 4.707 -10.613 -5.552
382 HA GLU 69 HA GLU 69 7.421 -9.990 -5.168
383 H LEU 70 H LEU 70 4.455 -8.196 -4.405
384 HA LEU 70 HA LEU 70 5.696 -5.862 -3.465
385 HG LEU 70 HG LEU 70 3.490 -5.657 -0.925
386 1HD1 LEU 70 1HD1 LEU 70 4.828 -4.048 -2.904
387 2HD1 LEU 70 2HD1 LEU 70 3.630 -3.093 -2.028
388 3HD1 LEU 70 3HD1 LEU 70 4.889 -3.950 -1.138
389 1HD2 LEU 70 3HD2 LEU 70 1.239 -5.674 -1.904
390 2HD2 LEU 70 1HD2 LEU 70 1.633 -4.122 -1.166
391 3HD2 LEU 70 2HD2 LEU 70 1.683 -4.303 -2.920
392 H GLY 71 H GLY 71 4.635 -8.765 -1.689
393 1HA GLY 71 2HA GLY 71 5.274 -9.581 0.355
394 2HA GLY 71 1HA GLY 71 5.373 -7.901 0.858
395 H THR 72 H THR 72 7.285 -9.931 -1.382
396 HA THR 72 HA THR 72 9.527 -10.039 0.326
397 HB THR 72 HB THR 72 9.029 -11.599 -1.601
398 HG1 THR 72 1HG THR 72 11.016 -12.173 -1.191
399 1HG2 THR 72 3HG2 THR 72 9.021 -9.393 -3.170
400 2HG2 THR 72 2HG2 THR 72 10.664 -9.977 -3.426
401 3HG2 THR 72 1HG2 THR 72 9.292 -11.031 -3.763
402 H LEU 73 H LEU 73 8.563 -7.766 -2.156
403 HA LEU 73 HA LEU 73 11.049 -6.373 -2.299
404 HG LEU 73 HG LEU 73 10.651 -3.927 -3.382
405 1HD1 LEU 73 1HD1 LEU 73 10.816 -6.349 -5.077
406 2HD1 LEU 73 2HD1 LEU 73 11.382 -4.830 -5.774
407 3HD1 LEU 73 3HD1 LEU 73 12.091 -5.431 -4.277
408 1HD2 LEU 73 3HD2 LEU 73 8.347 -4.312 -5.195
409 2HD2 LEU 73 1HD2 LEU 73 9.005 -2.836 -4.485
410 3HD2 LEU 73 2HD2 LEU 73 9.785 -3.562 -5.890
411 H LEU 74 H LEU 74 8.051 -5.906 -0.506
412 HA LEU 74 HA LEU 74 8.589 -3.456 0.696
413 HG LEU 74 HG LEU 74 7.374 -3.756 3.360
414 1HD1 LEU 74 3HD1 LEU 74 6.804 -2.263 1.231
415 2HD1 LEU 74 1HD1 LEU 74 5.174 -2.433 1.888
416 3HD1 LEU 74 2HD1 LEU 74 6.461 -1.740 2.881
417 1HD2 LEU 74 3HD2 LEU 74 4.899 -5.173 2.635
418 2HD2 LEU 74 1HD2 LEU 74 5.724 -5.049 4.188
419 3HD2 LEU 74 2HD2 LEU 74 4.698 -3.729 3.626
420 H GLY 75 H GLY 75 9.162 -6.742 1.951
421 1HA GLY 75 2HA GLY 75 10.741 -5.622 4.150
422 2HA GLY 75 1HA GLY 75 11.583 -6.634 2.981
423 H ARG 76 H ARG 76 8.364 -6.906 4.404
424 HA ARG 76 HA ARG 76 9.063 -9.162 6.047
425 HE ARG 76 HE ARG 76 7.009 -7.708 8.738
426 1HH1 ARG 76 2HH1 ARG 76 8.824 -10.461 9.935
427 2HH1 ARG 76 1HH1 ARG 76 9.510 -9.580 11.267
428 1HH2 ARG 76 2HH2 ARG 76 7.877 -6.563 10.492
429 2HH2 ARG 76 1HH2 ARG 76 8.983 -7.350 11.581
430 HA PRO 77 HA PRO 77 8.528 -12.055 2.683
431 H HIS 78 H HIS 78 6.166 -10.945 3.745
432 HA HIS 78 HA HIS 78 4.368 -13.283 3.812
433 HD1 HIS 78 1HD HIS 78 2.138 -11.028 7.026
434 HD2 HIS 78 2HD HIS 78 5.657 -13.094 6.207
435 HE1 HIS 78 1HE HIS 78 2.926 -11.933 9.238
436 HE2 HIS 78 2HE HIS 78 4.963 -13.318 8.696
437 H THR 79 H THR 79 2.731 -13.391 2.252
438 HA THR 79 HA THR 79 3.275 -11.975 -0.211
439 HB THR 79 HB THR 79 1.158 -13.297 -0.936
440 HG1 THR 79 1HG THR 79 1.808 -15.047 1.157
441 1HG2 THR 79 1HG2 THR 79 3.895 -14.279 -0.338
442 2HG2 THR 79 3HG2 THR 79 2.683 -15.484 -0.775
443 3HG2 THR 79 2HG2 THR 79 3.049 -14.160 -1.881
444 H VAL 80 H VAL 80 2.845 -9.934 1.119
445 HA VAL 80 HA VAL 80 0.220 -9.331 1.926
446 HB VAL 80 HB VAL 80 2.257 -8.246 2.845
447 1HG1 VAL 80 3HG1 VAL 80 2.271 -6.766 0.229
448 2HG1 VAL 80 1HG1 VAL 80 3.186 -6.285 1.657
449 3HG1 VAL 80 2HG1 VAL 80 3.529 -7.823 0.867
450 1HG2 VAL 80 1HG2 VAL 80 -0.185 -6.845 2.017
451 2HG2 VAL 80 2HG2 VAL 80 0.539 -7.026 3.614
452 3HG2 VAL 80 3HG2 VAL 80 1.154 -5.804 2.502
453 H SER 81 H SER 81 -1.486 -8.666 0.857
454 HA SER 81 HA SER 81 -1.286 -8.127 -1.978
455 HG SER 81 HG SER 81 -3.828 -10.337 -1.498
456 H ALA 82 H ALA 82 -1.815 -6.368 0.972
457 HA ALA 82 HA ALA 82 -1.724 -3.839 -0.439
458 1HB ALA 82 3HB ALA 82 -4.128 -4.621 1.207
459 2HB ALA 82 2HB ALA 82 -4.095 -4.388 -0.542
460 3HB ALA 82 1HB ALA 82 -3.816 -3.020 0.535
461 H LEU 83 H LEU 83 -1.052 -2.154 0.855
462 HA LEU 83 HA LEU 83 -0.817 -2.629 3.723
463 HG LEU 83 HG LEU 83 1.170 -1.830 0.776
464 1HD1 LEU 83 3HD1 LEU 83 2.529 -0.303 2.858
465 2HD1 LEU 83 1HD1 LEU 83 3.465 -0.494 1.375
466 3HD1 LEU 83 2HD1 LEU 83 1.855 0.224 1.315
467 1HD2 LEU 83 1HD2 LEU 83 2.659 -3.878 1.569
468 2HD2 LEU 83 2HD2 LEU 83 3.033 -2.926 0.134
469 3HD2 LEU 83 3HD2 LEU 83 3.878 -2.604 1.647
470 H ALA 84 H ALA 84 -1.139 -0.878 4.912
471 HA ALA 84 HA ALA 84 -1.765 1.597 3.498
472 1HB ALA 84 3HB ALA 84 -2.940 0.218 5.654
473 2HB ALA 84 1HB ALA 84 -2.316 1.734 6.304
474 3HB ALA 84 2HB ALA 84 -3.442 1.752 4.945
475 H VAL 85 H VAL 85 -0.337 3.147 3.404
476 HA VAL 85 HA VAL 85 1.944 3.228 5.205
477 HB VAL 85 HB VAL 85 1.241 5.070 2.906
478 1HG1 VAL 85 1HG1 VAL 85 3.626 4.848 4.695
479 2HG1 VAL 85 2HG1 VAL 85 3.801 5.443 3.045
480 3HG1 VAL 85 3HG1 VAL 85 2.743 6.283 4.176
481 1HG2 VAL 85 2HG2 VAL 85 1.830 2.464 2.616
482 2HG2 VAL 85 3HG2 VAL 85 2.295 3.701 1.448
483 3HG2 VAL 85 1HG2 VAL 85 3.459 3.140 2.648
484 H VAL 86 H VAL 86 1.237 3.914 7.164
485 HA VAL 86 HA VAL 86 -0.561 6.152 7.461
486 HB VAL 86 HB VAL 86 1.093 4.741 9.566
487 1HG1 VAL 86 2HG1 VAL 86 0.292 6.987 10.203
488 2HG1 VAL 86 3HG1 VAL 86 -1.360 6.467 9.871
489 3HG1 VAL 86 1HG1 VAL 86 -0.440 5.706 11.168
490 1HG2 VAL 86 2HG2 VAL 86 -1.639 4.181 8.463
491 2HG2 VAL 86 3HG2 VAL 86 -0.290 3.069 8.699
492 3HG2 VAL 86 1HG2 VAL 86 -1.183 3.681 10.091
493 H ASP 87 H ASP 87 2.858 5.460 7.892
494 HA ASP 87 HA ASP 87 3.426 8.330 7.718
495 HA PRO 88 HA PRO 88 5.979 6.380 4.591
496 H GLY 89 H GLY 89 6.951 8.848 6.856
497 1HA GLY 89 2HA GLY 89 9.562 7.700 7.172
498 2HA GLY 89 1HA GLY 89 8.954 9.151 7.961
499 H GLU 90 H GLU 90 11.456 8.351 6.358
500 HA GLU 90 HA GLU 90 11.754 10.908 5.050
501 H SER 91 H SER 91 10.863 7.778 4.176
502 HA SER 91 HA SER 91 12.009 7.395 1.695
503 HG SER 91 HG SER 91 9.734 5.933 4.152
504 H ARG 92 H ARG 92 11.378 7.698 -0.398
505 HA ARG 92 HA ARG 92 9.477 9.866 -0.936
506 HE ARG 92 HE ARG 92 9.328 11.833 -1.116
507 1HH1 ARG 92 2HH1 ARG 92 12.692 12.391 -0.305
508 2HH1 ARG 92 1HH1 ARG 92 12.372 12.602 1.394
509 1HH2 ARG 92 2HH2 ARG 92 8.908 12.082 1.101
510 2HH2 ARG 92 1HH2 ARG 92 10.212 12.444 2.195
511 H ILE 93 H ILE 93 8.464 7.384 0.036
512 HA ILE 93 HA ILE 93 7.588 5.724 -2.079
513 HB ILE 93 HB ILE 93 7.798 5.027 0.325
514 1HG2 ILE 93 1HG2 ILE 93 5.437 6.824 0.575
515 2HG2 ILE 93 2HG2 ILE 93 5.520 5.375 1.580
516 3HG2 ILE 93 3HG2 ILE 93 6.801 6.585 1.669
517 1HD1 ILE 93 2HD1 ILE 93 7.869 3.245 -1.281
518 2HD1 ILE 93 3HD1 ILE 93 6.404 2.319 -1.613
519 3HD1 ILE 93 1HD1 ILE 93 6.769 3.762 -2.559
520 H LEU 94 H LEU 94 6.268 8.580 -0.593
521 HA LEU 94 HA LEU 94 3.605 8.278 -1.496
522 HG LEU 94 HG LEU 94 2.222 9.702 -0.090
523 1HD1 LEU 94 3HD1 LEU 94 4.417 8.303 0.995
524 2HD1 LEU 94 1HD1 LEU 94 3.581 9.097 2.331
525 3HD1 LEU 94 2HD1 LEU 94 2.698 8.016 1.254
526 1HD2 LEU 94 3HD2 LEU 94 3.318 12.040 0.652
527 2HD2 LEU 94 1HD2 LEU 94 1.916 11.323 1.444
528 3HD2 LEU 94 2HD2 LEU 94 3.522 11.117 2.141
529 H ALA 95 H ALA 95 6.411 8.980 -3.215
530 HA ALA 95 HA ALA 95 5.489 10.785 -5.165
531 1HB ALA 95 3HB ALA 95 7.755 10.521 -5.288
532 2HB ALA 95 1HB ALA 95 7.679 8.778 -5.019
533 3HB ALA 95 2HB ALA 95 7.255 9.447 -6.596
534 H LEU 96 H LEU 96 4.967 7.398 -4.682
535 HA LEU 96 HA LEU 96 4.144 6.673 -7.283
536 HG LEU 96 HG LEU 96 5.812 5.431 -4.927
537 1HD1 LEU 96 2HD1 LEU 96 4.271 3.470 -4.048
538 2HD1 LEU 96 3HD1 LEU 96 4.958 2.635 -5.442
539 3HD1 LEU 96 1HD1 LEU 96 6.020 3.286 -4.191
540 1HD2 LEU 96 1HD2 LEU 96 5.617 5.428 -7.474
541 2HD2 LEU 96 2HD2 LEU 96 6.866 4.411 -6.756
542 3HD2 LEU 96 3HD2 LEU 96 5.363 3.688 -7.331
543 H GLY 97 H GLY 97 2.488 8.220 -4.638
544 1HA GLY 97 2HA GLY 97 -0.095 7.749 -4.755
545 2HA GLY 97 1HA GLY 97 0.114 8.522 -6.322
546 H GLY 98 H GLY 98 1.671 10.570 -5.993
547 1HA GLY 98 2HA GLY 98 1.404 12.021 -3.579
548 2HA GLY 98 1HA GLY 98 0.191 12.560 -4.733
549 H LYS 99 H LYS 99 0.987 14.557 -5.172
550 HA LYS 99 HA LYS 99 3.768 14.954 -5.783
551 1HZ LYS 99 2HZ LYS 99 -1.116 16.748 -7.817
552 2HZ LYS 99 1HZ LYS 99 -0.825 16.969 -9.472
553 3HZ LYS 99 3HZ LYS 99 -2.365 16.498 -8.935
554 H GLU 100 H GLU 100 4.360 17.059 -5.591
555 HA GLU 100 HA GLU 100 2.607 18.795 -4.202
No H/Q in entry = 555
Start of MODEL 8
1 H1 GLY -2 1H GLY -2 6.953 4.266 -17.130
2 H2 GLY -2 3H GLY -2 6.215 5.362 -16.065
3 H3 GLY -2 2H GLY -2 7.127 5.938 -17.371
4 1HA GLY -2 1HA GLY -2 8.219 6.003 -15.108
5 2HA GLY -2 2HA GLY -2 9.139 5.309 -16.435
6 H SER -1 H SER -1 10.371 3.832 -15.439
7 HA SER -1 HA SER -1 9.145 1.436 -14.465
8 HG SER -1 HG SER -1 12.901 2.629 -14.498
9 H VAL 1 H VAL 1 8.865 0.777 -12.401
10 HA VAL 1 HA VAL 1 9.924 2.474 -10.240
11 HB VAL 1 HB VAL 1 7.700 2.227 -9.087
12 1HG1 VAL 1 1HG1 VAL 1 8.452 3.971 -11.245
13 2HG1 VAL 1 2HG1 VAL 1 6.703 3.757 -11.209
14 3HG1 VAL 1 3HG1 VAL 1 7.550 4.336 -9.775
15 1HG2 VAL 1 2HG2 VAL 1 7.154 0.406 -11.038
16 2HG2 VAL 1 3HG2 VAL 1 5.941 1.193 -10.025
17 3HG2 VAL 1 1HG2 VAL 1 6.299 1.831 -11.631
18 H ASP 2 H ASP 2 10.015 1.498 -8.162
19 HA ASP 2 HA ASP 2 9.640 -1.396 -7.986
20 H PHE 3 H PHE 3 10.812 1.534 -6.460
21 HA PHE 3 HA PHE 3 10.880 2.312 -4.352
22 HD1 PHE 3 1HD PHE 3 8.317 -0.049 -2.566
23 HD2 PHE 3 2HD PHE 3 6.623 1.987 -5.891
24 HE1 PHE 3 1HE PHE 3 6.408 -1.573 -2.512
25 HE2 PHE 3 2HE PHE 3 4.707 0.448 -5.852
26 HZ PHE 3 HZ PHE 3 4.595 -1.331 -4.158
27 H ALA 4 H ALA 4 11.949 -0.343 -4.439
28 HA ALA 4 HA ALA 4 11.097 -1.842 -2.176
29 1HB ALA 4 1HB ALA 4 13.679 -1.760 -3.717
30 2HB ALA 4 2HB ALA 4 13.456 -2.794 -2.306
31 3HB ALA 4 3HB ALA 4 12.431 -3.007 -3.725
32 H PHE 5 H PHE 5 13.662 0.549 -2.682
33 HA PHE 5 HA PHE 5 14.575 0.639 -0.015
34 HD1 PHE 5 1HD PHE 5 16.567 1.730 0.847
35 HD2 PHE 5 2HD PHE 5 15.006 4.871 -1.561
36 HE1 PHE 5 1HE PHE 5 17.512 3.386 2.400
37 HE2 PHE 5 2HE PHE 5 15.957 6.533 -0.015
38 HZ PHE 5 HZ PHE 5 17.211 5.792 1.968
39 H GLU 6 H GLU 6 12.253 2.645 -1.795
40 HA GLU 6 HA GLU 6 11.610 4.439 0.211
41 H LEU 7 H LEU 7 9.960 1.374 -0.566
42 HA LEU 7 HA LEU 7 8.015 1.640 1.440
43 HG LEU 7 HG LEU 7 7.546 -1.361 2.105
44 1HD1 LEU 7 2HD1 LEU 7 5.966 0.748 0.777
45 2HD1 LEU 7 3HD1 LEU 7 5.063 -0.619 1.430
46 3HD1 LEU 7 1HD1 LEU 7 6.104 0.334 2.486
47 1HD2 LEU 7 1HD2 LEU 7 7.531 -2.739 0.004
48 2HD2 LEU 7 2HD2 LEU 7 6.049 -2.803 0.957
49 3HD2 LEU 7 3HD2 LEU 7 6.115 -1.817 -0.502
50 H ARG 8 H ARG 8 11.119 -0.104 1.439
51 HA ARG 8 HA ARG 8 10.835 -1.162 4.042
52 HE ARG 8 HE ARG 8 14.771 -2.224 0.976
53 1HH1 ARG 8 2HH1 ARG 8 15.654 -3.819 3.956
54 2HH1 ARG 8 1HH1 ARG 8 17.369 -3.633 3.707
55 1HH2 ARG 8 2HH2 ARG 8 17.008 -1.979 0.620
56 2HH2 ARG 8 1HH2 ARG 8 18.148 -2.580 1.794
57 H LYS 9 H LYS 9 12.281 1.845 2.855
58 HA LYS 9 HA LYS 9 13.235 2.725 5.367
59 1HZ LYS 9 3HZ LYS 9 16.754 2.749 5.859
60 2HZ LYS 9 2HZ LYS 9 16.788 3.494 7.381
61 3HZ LYS 9 1HZ LYS 9 15.860 2.090 7.146
62 H ALA 10 H ALA 10 10.168 3.099 3.688
63 HA ALA 10 HA ALA 10 8.999 4.991 5.417
64 1HB ALA 10 2HB ALA 10 6.853 3.603 4.526
65 2HB ALA 10 3HB ALA 10 7.673 4.862 3.604
66 3HB ALA 10 1HB ALA 10 8.057 3.165 3.315
67 H GLN 11 H GLN 11 9.081 1.458 5.464
68 HA GLN 11 HA GLN 11 7.394 1.145 7.728
69 1HE2 GLN 11 1HE2 GLN 11 7.899 -1.281 10.525
70 2HE2 GLN 11 2HE2 GLN 11 9.464 -1.841 11.016
71 H ASP 12 H ASP 12 10.877 1.519 7.308
72 HA ASP 12 HA ASP 12 11.668 1.096 9.974
73 H THR 13 H THR 13 10.967 4.118 8.239
74 HA THR 13 HA THR 13 11.411 5.705 10.581
75 HB THR 13 HB THR 13 10.553 7.586 9.090
76 HG1 THR 13 1HG THR 13 10.757 5.581 7.065
77 1HG2 THR 13 3HG2 THR 13 12.982 6.739 9.394
78 2HG2 THR 13 2HG2 THR 13 12.784 6.086 7.768
79 3HG2 THR 13 1HG2 THR 13 12.618 7.819 8.047
80 H GLY 14 H GLY 14 8.550 4.996 8.599
81 1HA GLY 14 2HA GLY 14 6.351 5.777 9.099
82 2HA GLY 14 1HA GLY 14 6.853 6.017 10.767
83 H LYS 15 H LYS 15 5.025 4.145 8.829
84 HA LYS 15 HA LYS 15 5.543 1.565 9.961
85 1HZ LYS 15 2HZ LYS 15 1.752 1.052 15.145
86 2HZ LYS 15 1HZ LYS 15 3.190 1.440 15.955
87 3HZ LYS 15 3HZ LYS 15 2.267 2.667 15.238
88 H ILE 16 H ILE 16 4.764 0.039 8.653
89 HA ILE 16 HA ILE 16 2.790 0.834 6.612
90 HB ILE 16 HB ILE 16 4.875 -1.347 6.394
91 1HG2 ILE 16 3HG2 ILE 16 2.964 -0.218 4.355
92 2HG2 ILE 16 1HG2 ILE 16 4.225 -1.409 4.026
93 3HG2 ILE 16 2HG2 ILE 16 2.882 -1.817 5.096
94 1HD1 ILE 16 2HD1 ILE 16 3.894 1.524 4.306
95 2HD1 ILE 16 3HD1 ILE 16 4.354 2.423 5.753
96 3HD1 ILE 16 1HD1 ILE 16 5.451 2.347 4.373
97 H VAL 17 H VAL 17 0.886 -0.182 6.712
98 HA VAL 17 HA VAL 17 0.579 -2.447 8.526
99 HB VAL 17 HB VAL 17 -1.531 -0.953 6.954
100 1HG1 VAL 17 1HG1 VAL 17 -1.770 -2.955 9.199
101 2HG1 VAL 17 2HG1 VAL 17 -3.104 -2.003 8.547
102 3HG1 VAL 17 3HG1 VAL 17 -2.276 -3.179 7.525
103 1HG2 VAL 17 3HG2 VAL 17 -0.412 0.498 8.558
104 2HG2 VAL 17 1HG2 VAL 17 -2.060 0.146 9.077
105 3HG2 VAL 17 2HG2 VAL 17 -0.702 -0.678 9.842
106 H MET 18 H MET 18 1.080 -4.359 7.678
107 HA MET 18 HA MET 18 0.664 -4.869 4.834
108 1HE MET 18 2HE MET 18 3.936 -5.938 8.466
109 2HE MET 18 3HE MET 18 3.737 -7.618 7.967
110 3HE MET 18 1HE MET 18 5.333 -7.016 8.419
111 H GLY 19 H GLY 19 -0.917 -6.156 4.024
112 1HA GLY 19 2HA GLY 19 -2.884 -7.212 5.884
113 2HA GLY 19 1HA GLY 19 -2.023 -8.419 4.940
114 H ALA 20 H ALA 20 -4.822 -6.955 5.098
115 HA ALA 20 HA ALA 20 -5.230 -5.986 2.448
116 1HB ALA 20 2HB ALA 20 -6.239 -7.731 1.385
117 2HB ALA 20 1HB ALA 20 -6.770 -8.487 2.888
118 3HB ALA 20 3HB ALA 20 -5.089 -8.630 2.375
119 H ARG 21 H ARG 21 -7.051 -7.781 4.956
120 HA ARG 21 HA ARG 21 -9.329 -6.101 4.752
121 HE ARG 21 HE ARG 21 -10.309 -7.659 8.896
122 1HH1 ARG 21 2HH1 ARG 21 -10.220 -11.150 9.082
123 2HH1 ARG 21 1HH1 ARG 21 -11.615 -11.261 10.119
124 1HH2 ARG 21 2HH2 ARG 21 -12.124 -7.781 10.263
125 2HH2 ARG 21 1HH2 ARG 21 -12.695 -9.332 10.806
126 H LYS 22 H LYS 22 -6.466 -6.044 6.811
127 HA LYS 22 HA LYS 22 -7.376 -3.970 8.524
128 1HZ LYS 22 1HZ LYS 22 -4.649 -8.132 10.467
129 2HZ LYS 22 3HZ LYS 22 -4.430 -8.556 12.094
130 3HZ LYS 22 2HZ LYS 22 -5.940 -7.995 11.560
131 H SER 23 H SER 23 -5.926 -4.027 5.365
132 HA SER 23 HA SER 23 -5.300 -1.248 5.220
133 HG SER 23 HG SER 23 -5.770 -0.805 2.553
134 H ILE 24 H ILE 24 -8.120 -3.243 4.526
135 HA ILE 24 HA ILE 24 -9.750 -1.195 3.410
136 HB ILE 24 HB ILE 24 -10.640 -3.655 4.933
137 1HG2 ILE 24 1HG2 ILE 24 -12.228 -1.642 4.357
138 2HG2 ILE 24 2HG2 ILE 24 -12.220 -2.380 2.754
139 3HG2 ILE 24 3HG2 ILE 24 -12.766 -3.308 4.151
140 1HD1 ILE 24 1HD1 ILE 24 -11.382 -5.496 3.560
141 2HD1 ILE 24 2HD1 ILE 24 -11.823 -4.894 1.961
142 3HD1 ILE 24 3HD1 ILE 24 -10.382 -5.893 2.161
143 H GLN 25 H GLN 25 -9.219 -2.425 6.669
144 HA GLN 25 HA GLN 25 -11.121 -0.884 8.038
145 1HE2 GLN 25 1HE2 GLN 25 -7.842 -0.487 11.989
146 2HE2 GLN 25 2HE2 GLN 25 -7.612 -1.914 12.943
147 H TYR 26 H TYR 26 -7.684 -0.259 7.371
148 HA TYR 26 HA TYR 26 -7.631 2.305 8.570
149 HD1 TYR 26 1HD TYR 26 -6.285 -0.250 9.276
150 HD2 TYR 26 2HD TYR 26 -3.914 3.137 8.278
151 HE1 TYR 26 1HE TYR 26 -4.983 -0.559 11.340
152 HE2 TYR 26 2HE TYR 26 -2.602 2.834 10.334
153 HH TYR 26 HH TYR 26 -2.734 1.816 12.470
154 H ALA 27 H ALA 27 -8.497 1.175 5.371
155 HA ALA 27 HA ALA 27 -8.566 3.680 4.067
156 1HB ALA 27 3HB ALA 27 -10.372 1.354 3.446
157 2HB ALA 27 2HB ALA 27 -8.673 1.403 2.975
158 3HB ALA 27 1HB ALA 27 -9.797 2.610 2.351
159 H LYS 28 H LYS 28 -10.980 1.878 5.926
160 HA LYS 28 HA LYS 28 -13.123 3.705 5.591
161 1HZ LYS 28 2HZ LYS 28 -13.819 -1.791 6.185
162 2HZ LYS 28 1HZ LYS 28 -15.181 -2.712 6.587
163 3HZ LYS 28 3HZ LYS 28 -14.944 -2.214 4.985
164 H MET 29 H MET 29 -10.615 3.358 8.056
165 HA MET 29 HA MET 29 -11.475 5.446 9.744
166 1HE MET 29 2HE MET 29 -8.750 4.624 12.853
167 2HE MET 29 3HE MET 29 -7.664 3.482 13.648
168 3HE MET 29 1HE MET 29 -7.130 4.351 12.206
169 H GLY 30 H GLY 30 -9.229 5.365 7.034
170 1HA GLY 30 2HA GLY 30 -9.355 8.239 6.703
171 2HA GLY 30 1HA GLY 30 -8.433 7.107 5.722
172 H GLY 31 H GLY 31 -7.244 5.881 8.126
173 1HA GLY 31 2HA GLY 31 -5.591 6.269 9.714
174 2HA GLY 31 1HA GLY 31 -5.725 7.990 9.393
175 H ALA 32 H ALA 32 -5.131 5.440 7.048
176 HA ALA 32 HA ALA 32 -2.312 5.867 6.908
177 1HB ALA 32 1HB ALA 32 -2.267 4.142 5.405
178 2HB ALA 32 3HB ALA 32 -3.798 4.604 4.660
179 3HB ALA 32 2HB ALA 32 -3.787 3.791 6.225
180 H LYS 33 H LYS 33 -1.156 7.150 5.589
181 HA LYS 33 HA LYS 33 -2.512 9.270 4.210
182 1HZ LYS 33 3HZ LYS 33 -0.700 12.897 5.117
183 2HZ LYS 33 2HZ LYS 33 0.332 13.836 4.156
184 3HZ LYS 33 1HZ LYS 33 -0.592 12.604 3.449
185 H LEU 34 H LEU 34 -0.854 6.312 3.336
186 HA LEU 34 HA LEU 34 -1.774 6.672 0.565
187 HG LEU 34 HG LEU 34 0.040 4.725 -0.724
188 1HD1 LEU 34 2HD1 LEU 34 -0.830 7.054 -1.470
189 2HD1 LEU 34 3HD1 LEU 34 0.823 7.287 -2.039
190 3HD1 LEU 34 1HD1 LEU 34 -0.144 5.952 -2.664
191 1HD2 LEU 34 2HD2 LEU 34 2.647 6.131 -0.411
192 2HD2 LEU 34 3HD2 LEU 34 2.291 4.405 -0.396
193 3HD2 LEU 34 1HD2 LEU 34 2.282 5.294 -1.921
194 H ILE 35 H ILE 35 -2.198 4.703 -0.542
195 HA ILE 35 HA ILE 35 -1.792 2.242 1.006
196 HB ILE 35 HB ILE 35 -4.403 3.001 -0.318
197 1HG2 ILE 35 1HG2 ILE 35 -3.246 0.400 0.374
198 2HG2 ILE 35 2HG2 ILE 35 -4.884 0.659 0.969
199 3HG2 ILE 35 3HG2 ILE 35 -4.537 0.806 -0.753
200 1HD1 ILE 35 3HD1 ILE 35 -6.051 1.708 1.811
201 2HD1 ILE 35 1HD1 ILE 35 -5.954 2.845 3.157
202 3HD1 ILE 35 2HD1 ILE 35 -6.342 3.427 1.537
203 H ILE 36 H ILE 36 -1.052 0.578 -0.206
204 HA ILE 36 HA ILE 36 -1.092 0.927 -3.141
205 HB ILE 36 HB ILE 36 1.094 -0.353 -1.484
206 1HG2 ILE 36 1HG2 ILE 36 0.594 -0.216 -4.422
207 2HG2 ILE 36 2HG2 ILE 36 2.252 -0.200 -3.823
208 3HG2 ILE 36 3HG2 ILE 36 1.191 -1.556 -3.443
209 1HD1 ILE 36 1HD1 ILE 36 3.262 0.625 -1.943
210 2HD1 ILE 36 2HD1 ILE 36 3.294 1.849 -3.215
211 3HD1 ILE 36 3HD1 ILE 36 3.274 2.336 -1.519
212 H VAL 37 H VAL 37 -1.871 -0.739 -4.309
213 HA VAL 37 HA VAL 37 -2.395 -3.268 -2.885
214 HB VAL 37 HB VAL 37 -4.396 -3.564 -4.333
215 1HG1 VAL 37 1HG1 VAL 37 -4.194 -1.311 -2.382
216 2HG1 VAL 37 2HG1 VAL 37 -5.727 -1.654 -3.185
217 3HG1 VAL 37 3HG1 VAL 37 -4.954 -2.891 -2.195
218 1HG2 VAL 37 3HG2 VAL 37 -3.430 -1.711 -5.957
219 2HG2 VAL 37 1HG2 VAL 37 -5.163 -2.008 -5.817
220 3HG2 VAL 37 2HG2 VAL 37 -4.428 -0.660 -4.953
221 H ALA 38 H ALA 38 -1.776 -5.108 -3.848
222 HA ALA 38 HA ALA 38 -0.039 -5.038 -6.123
223 1HB ALA 38 2HB ALA 38 -0.544 -7.656 -5.826
224 2HB ALA 38 1HB ALA 38 -1.049 -7.078 -4.236
225 3HB ALA 38 3HB ALA 38 0.592 -6.767 -4.810
226 H ARG 39 H ARG 39 -0.437 -5.631 -8.224
227 HA ARG 39 HA ARG 39 -3.031 -5.292 -9.225
228 HE ARG 39 HE ARG 39 2.598 -6.603 -11.958
229 1HH1 ARG 39 2HH1 ARG 39 0.011 -8.975 -12.192
230 2HH1 ARG 39 1HH1 ARG 39 1.099 -10.336 -12.181
231 1HH2 ARG 39 2HH2 ARG 39 4.015 -8.399 -11.961
232 2HH2 ARG 39 1HH2 ARG 39 3.356 -10.005 -12.068
233 H ASN 40 H ASN 40 -1.250 -8.193 -8.382
234 HA ASN 40 HA ASN 40 -3.405 -9.901 -9.364
235 1HD2 ASN 40 1HD2 ASN 40 -3.885 -11.618 -9.199
236 2HD2 ASN 40 2HD2 ASN 40 -3.583 -13.302 -9.467
237 H ALA 41 H ALA 41 -4.142 -8.200 -7.291
238 HA ALA 41 HA ALA 41 -4.400 -10.021 -4.994
239 1HB ALA 41 3HB ALA 41 -3.516 -7.859 -4.354
240 2HB ALA 41 2HB ALA 41 -5.153 -8.040 -3.719
241 3HB ALA 41 1HB ALA 41 -4.864 -7.042 -5.146
242 H ARG 42 H ARG 42 -6.496 -10.360 -4.119
243 HA ARG 42 HA ARG 42 -8.456 -10.948 -5.990
244 HE ARG 42 HE ARG 42 -10.895 -12.752 -3.102
245 1HH1 ARG 42 2HH1 ARG 42 -9.306 -13.967 -0.223
246 2HH1 ARG 42 1HH1 ARG 42 -10.788 -14.207 0.653
247 1HH2 ARG 42 2HH2 ARG 42 -12.844 -13.071 -1.955
248 2HH2 ARG 42 1HH2 ARG 42 -12.808 -13.713 -0.342
249 HA PRO 43 HA PRO 43 -10.393 -7.075 -6.991
250 H ASP 44 H ASP 44 -11.940 -9.452 -4.907
251 HA ASP 44 HA ASP 44 -13.917 -7.920 -3.688
252 H ILE 45 H ILE 45 -10.522 -8.351 -2.801
253 HA ILE 45 HA ILE 45 -10.631 -6.660 -0.505
254 HB ILE 45 HB ILE 45 -8.281 -7.681 -2.104
255 1HG2 ILE 45 2HG2 ILE 45 -7.808 -5.596 -0.801
256 2HG2 ILE 45 3HG2 ILE 45 -8.192 -6.501 0.663
257 3HG2 ILE 45 1HG2 ILE 45 -6.834 -6.995 -0.351
258 1HD1 ILE 45 2HD1 ILE 45 -9.356 -7.724 1.366
259 2HD1 ILE 45 3HD1 ILE 45 -10.714 -8.702 0.807
260 3HD1 ILE 45 1HD1 ILE 45 -9.324 -9.476 1.567
261 H LYS 46 H LYS 46 -9.250 -6.284 -3.755
262 HA LYS 46 HA LYS 46 -8.198 -3.743 -3.391
263 1HZ LYS 46 2HZ LYS 46 -8.076 -4.205 -8.286
264 2HZ LYS 46 1HZ LYS 46 -7.702 -2.881 -7.292
265 3HZ LYS 46 3HZ LYS 46 -7.051 -2.985 -8.853
266 H GLU 47 H GLU 47 -11.360 -4.638 -4.770
267 HA GLU 47 HA GLU 47 -12.088 -2.096 -5.585
268 H ASP 48 H ASP 48 -12.673 -3.640 -2.438
269 HA ASP 48 HA ASP 48 -14.240 -1.563 -1.353
270 H ILE 49 H ILE 49 -10.745 -2.193 -1.099
271 HA ILE 49 HA ILE 49 -10.113 -0.019 0.526
272 HB ILE 49 HB ILE 49 -8.375 -1.302 -1.588
273 1HG2 ILE 49 2HG2 ILE 49 -7.919 0.984 -0.008
274 2HG2 ILE 49 3HG2 ILE 49 -6.943 -0.316 0.678
275 3HG2 ILE 49 1HG2 ILE 49 -6.767 0.116 -1.023
276 1HD1 ILE 49 3HD1 ILE 49 -6.420 -2.336 -0.194
277 2HD1 ILE 49 1HD1 ILE 49 -6.843 -3.218 1.274
278 3HD1 ILE 49 2HD1 ILE 49 -7.308 -3.857 -0.303
279 H GLU 50 H GLU 50 -9.946 -0.249 -3.025
280 HA GLU 50 HA GLU 50 -9.060 2.377 -3.449
281 H TYR 51 H TYR 51 -12.321 1.031 -3.312
282 HA TYR 51 HA TYR 51 -13.705 3.332 -4.180
283 HD1 TYR 51 1HD TYR 51 -16.661 1.149 -1.420
284 HD2 TYR 51 2HD TYR 51 -15.912 3.630 -4.793
285 HE1 TYR 51 1HE TYR 51 -18.909 2.113 -1.201
286 HE2 TYR 51 2HE TYR 51 -18.164 4.595 -4.582
287 HH TYR 51 HH TYR 51 -20.594 3.254 -2.951
288 H TYR 52 H TYR 52 -13.009 2.097 -0.935
289 HA TYR 52 HA TYR 52 -14.283 4.155 0.488
290 HD1 TYR 52 1HD TYR 52 -12.929 0.827 3.349
291 HD2 TYR 52 2HD TYR 52 -15.218 2.315 0.088
292 HE1 TYR 52 1HE TYR 52 -14.613 -0.915 3.746
293 HE2 TYR 52 2HE TYR 52 -16.901 0.564 0.471
294 HH TYR 52 HH TYR 52 -17.266 -1.030 3.200
295 H ALA 53 H ALA 53 -10.949 3.759 -0.591
296 HA ALA 53 HA ALA 53 -9.884 6.043 0.662
297 1HB ALA 53 2HB ALA 53 -8.680 4.046 -0.416
298 2HB ALA 53 3HB ALA 53 -8.821 4.963 -1.914
299 3HB ALA 53 1HB ALA 53 -7.944 5.643 -0.544
300 H ARG 54 H ARG 54 -11.378 5.572 -2.520
301 HA ARG 54 HA ARG 54 -10.800 8.135 -3.559
302 HE ARG 54 HE ARG 54 -9.307 7.014 -4.146
303 1HH1 ARG 54 2HH1 ARG 54 -8.708 8.502 -7.248
304 2HH1 ARG 54 1HH1 ARG 54 -7.152 9.123 -6.796
305 1HH2 ARG 54 2HH2 ARG 54 -7.245 7.837 -3.538
306 2HH2 ARG 54 1HH2 ARG 54 -6.312 8.726 -4.710
307 H LEU 55 H LEU 55 -13.508 6.910 -1.648
308 HA LEU 55 HA LEU 55 -15.113 9.218 -1.721
309 HG LEU 55 HG LEU 55 -15.431 6.069 -1.584
310 1HD1 LEU 55 2HD1 LEU 55 -16.993 6.121 0.838
311 2HD1 LEU 55 3HD1 LEU 55 -17.976 5.639 -0.546
312 3HD1 LEU 55 1HD1 LEU 55 -16.502 4.749 -0.158
313 1HD2 LEU 55 3HD2 LEU 55 -16.521 8.067 -2.632
314 2HD2 LEU 55 1HD2 LEU 55 -17.424 6.560 -2.792
315 3HD2 LEU 55 2HD2 LEU 55 -17.921 7.764 -1.602
316 H SER 56 H SER 56 -12.553 8.199 0.470
317 HA SER 56 HA SER 56 -12.653 10.688 1.961
318 HG SER 56 HG SER 56 -11.212 9.794 4.405
319 H GLY 57 H GLY 57 -9.573 10.433 2.093
320 1HA GLY 57 2HA GLY 57 -8.459 12.412 0.930
321 2HA GLY 57 1HA GLY 57 -8.958 11.600 -0.548
322 H ILE 58 H ILE 58 -8.429 8.973 0.067
323 HA ILE 58 HA ILE 58 -5.571 8.951 0.767
324 HB ILE 58 HB ILE 58 -7.430 6.574 0.669
325 1HG2 ILE 58 1HG2 ILE 58 -4.688 6.680 0.690
326 2HG2 ILE 58 2HG2 ILE 58 -5.082 6.501 2.400
327 3HG2 ILE 58 3HG2 ILE 58 -5.664 5.313 1.232
328 1HD1 ILE 58 2HD1 ILE 58 -8.319 5.761 2.821
329 2HD1 ILE 58 3HD1 ILE 58 -6.847 5.927 3.778
330 3HD1 ILE 58 1HD1 ILE 58 -8.305 6.809 4.239
331 HA PRO 59 HA PRO 59 -4.931 8.037 -3.578
332 H VAL 60 H VAL 60 -5.190 6.034 -4.327
333 HA VAL 60 HA VAL 60 -3.802 3.822 -2.977
334 HB VAL 60 HB VAL 60 -6.153 3.723 -4.880
335 1HG1 VAL 60 3HG1 VAL 60 -4.736 1.496 -3.414
336 2HG1 VAL 60 1HG1 VAL 60 -6.233 1.325 -4.329
337 3HG1 VAL 60 2HG1 VAL 60 -4.739 1.765 -5.156
338 1HG2 VAL 60 1HG2 VAL 60 -5.897 3.783 -1.945
339 2HG2 VAL 60 2HG2 VAL 60 -7.224 4.306 -2.981
340 3HG2 VAL 60 3HG2 VAL 60 -7.025 2.596 -2.596
341 H TYR 61 H TYR 61 -2.033 3.109 -3.904
342 HA TYR 61 HA TYR 61 -1.525 3.746 -6.709
343 HD1 TYR 61 1HD TYR 61 0.211 4.320 -7.919
344 HD2 TYR 61 2HD TYR 61 2.361 1.798 -5.255
345 HE1 TYR 61 1HE TYR 61 1.903 3.939 -9.655
346 HE2 TYR 61 2HE TYR 61 4.069 1.418 -6.983
347 HH TYR 61 HH TYR 61 3.627 1.937 -10.129
348 H GLU 62 H GLU 62 -1.701 2.281 -8.255
349 HA GLU 62 HA GLU 62 -2.267 -0.488 -7.599
350 H PHE 63 H PHE 63 -0.633 -1.764 -7.098
351 HA PHE 63 HA PHE 63 2.060 -1.143 -7.656
352 HD1 PHE 63 1HD PHE 63 3.812 -1.536 -7.003
353 HD2 PHE 63 2HD PHE 63 2.426 -5.364 -5.786
354 HE1 PHE 63 1HE PHE 63 6.131 -2.245 -6.615
355 HE2 PHE 63 2HE PHE 63 4.748 -6.087 -5.404
356 HZ PHE 63 HZ PHE 63 6.604 -4.515 -5.806
357 H GLU 64 H GLU 64 3.269 -1.512 -9.367
358 HA GLU 64 HA GLU 64 2.261 -2.794 -11.710
359 H GLY 65 H GLY 65 4.104 -3.746 -8.961
360 1HA GLY 65 2HA GLY 65 5.175 -5.736 -8.412
361 2HA GLY 65 1HA GLY 65 4.952 -6.285 -10.066
362 H THR 66 H THR 66 4.424 -8.275 -8.815
363 HA THR 66 HA THR 66 1.530 -8.444 -8.489
364 HB THR 66 HB THR 66 2.603 -10.117 -9.942
365 HG1 THR 66 1HG THR 66 1.650 -11.962 -8.911
366 1HG2 THR 66 3HG2 THR 66 4.678 -10.133 -8.251
367 2HG2 THR 66 2HG2 THR 66 3.812 -11.549 -7.652
368 3HG2 THR 66 1HG2 THR 66 4.320 -11.476 -9.339
369 H SER 67 H SER 67 0.853 -10.083 -6.712
370 HA SER 67 HA SER 67 1.441 -8.927 -4.208
371 HG SER 67 HG SER 67 -0.969 -12.076 -5.059
372 H VAL 68 H VAL 68 2.669 -11.753 -5.886
373 HA VAL 68 HA VAL 68 3.992 -13.003 -3.750
374 HB VAL 68 HB VAL 68 5.042 -12.940 -6.582
375 1HG1 VAL 68 1HG1 VAL 68 5.628 -14.468 -4.175
376 2HG1 VAL 68 2HG1 VAL 68 5.307 -15.485 -5.581
377 3HG1 VAL 68 3HG1 VAL 68 6.576 -14.261 -5.649
378 1HG2 VAL 68 2HG2 VAL 68 2.521 -13.468 -6.302
379 2HG2 VAL 68 3HG2 VAL 68 3.522 -14.540 -7.282
380 3HG2 VAL 68 1HG2 VAL 68 3.090 -14.998 -5.634
381 H GLU 69 H GLU 69 5.166 -10.659 -6.141
382 HA GLU 69 HA GLU 69 7.770 -10.342 -5.138
383 H LEU 70 H LEU 70 4.776 -8.555 -4.527
384 HA LEU 70 HA LEU 70 5.830 -6.587 -2.842
385 HG LEU 70 HG LEU 70 3.520 -6.135 -0.903
386 1HD1 LEU 70 1HD1 LEU 70 4.507 -4.605 -3.238
387 2HD1 LEU 70 2HD1 LEU 70 3.641 -3.711 -1.987
388 3HD1 LEU 70 3HD1 LEU 70 5.085 -4.635 -1.572
389 1HD2 LEU 70 3HD2 LEU 70 1.607 -5.462 -3.116
390 2HD2 LEU 70 1HD2 LEU 70 1.275 -6.237 -1.568
391 3HD2 LEU 70 2HD2 LEU 70 1.676 -4.520 -1.626
392 H GLY 71 H GLY 71 4.595 -9.826 -2.146
393 1HA GLY 71 2HA GLY 71 4.806 -11.174 -0.303
394 2HA GLY 71 1HA GLY 71 4.789 -9.709 0.668
395 H THR 72 H THR 72 7.083 -10.818 -1.794
396 HA THR 72 HA THR 72 9.127 -11.629 -0.031
397 HB THR 72 HB THR 72 9.443 -10.538 -2.837
398 HG1 THR 72 1HG THR 72 8.178 -12.732 -1.973
399 1HG2 THR 72 3HG2 THR 72 11.542 -10.739 -1.538
400 2HG2 THR 72 2HG2 THR 72 11.187 -12.447 -1.274
401 3HG2 THR 72 1HG2 THR 72 11.481 -11.850 -2.907
402 H LEU 73 H LEU 73 8.376 -8.535 -1.549
403 HA LEU 73 HA LEU 73 10.666 -7.127 -0.739
404 HG LEU 73 HG LEU 73 9.172 -4.316 -0.215
405 1HD1 LEU 73 2HD1 LEU 73 11.367 -5.519 -1.109
406 2HD1 LEU 73 3HD1 LEU 73 11.178 -4.325 -2.392
407 3HD1 LEU 73 1HD1 LEU 73 11.324 -3.801 -0.713
408 1HD2 LEU 73 3HD2 LEU 73 7.671 -3.803 -2.107
409 2HD2 LEU 73 1HD2 LEU 73 9.028 -2.683 -1.981
410 3HD2 LEU 73 2HD2 LEU 73 9.045 -3.955 -3.204
411 H LEU 74 H LEU 74 7.510 -7.553 0.824
412 HA LEU 74 HA LEU 74 8.106 -5.947 3.097
413 HG LEU 74 HG LEU 74 5.625 -6.188 1.288
414 1HD1 LEU 74 3HD1 LEU 74 3.847 -7.578 2.503
415 2HD1 LEU 74 1HD1 LEU 74 3.680 -6.181 3.569
416 3HD1 LEU 74 2HD1 LEU 74 3.365 -6.015 1.842
417 1HD2 LEU 74 2HD2 LEU 74 6.071 -4.782 3.864
418 2HD2 LEU 74 3HD2 LEU 74 6.480 -4.294 2.219
419 3HD2 LEU 74 1HD2 LEU 74 4.817 -4.157 2.793
420 H GLY 75 H GLY 75 8.180 -9.464 2.533
421 1HA GLY 75 2HA GLY 75 9.573 -9.789 5.102
422 2HA GLY 75 1HA GLY 75 10.377 -10.315 3.632
423 H ARG 76 H ARG 76 6.967 -10.559 4.472
424 HA ARG 76 HA ARG 76 7.061 -13.279 5.243
425 HE ARG 76 HE ARG 76 4.151 -10.259 6.576
426 1HH1 ARG 76 2HH1 ARG 76 0.793 -10.618 5.609
427 2HH1 ARG 76 1HH1 ARG 76 0.172 -10.099 7.149
428 1HH2 ARG 76 2HH2 ARG 76 3.326 -9.595 8.603
429 2HH2 ARG 76 1HH2 ARG 76 1.602 -9.529 8.850
430 HA PRO 77 HA PRO 77 7.192 -15.078 1.173
431 H HIS 78 H HIS 78 4.742 -13.976 1.875
432 HA HIS 78 HA HIS 78 2.898 -15.938 0.716
433 HD1 HIS 78 1HD HIS 78 1.577 -17.796 1.965
434 HD2 HIS 78 2HD HIS 78 3.164 -15.788 5.247
435 HE1 HIS 78 1HE HIS 78 2.087 -19.575 3.674
436 HE2 HIS 78 2HE HIS 78 3.066 -18.343 5.643
437 H THR 79 H THR 79 1.397 -15.069 -0.657
438 HA THR 79 HA THR 79 2.093 -12.651 -1.921
439 HB THR 79 HB THR 79 -0.040 -13.054 -3.222
440 HG1 THR 79 1HG THR 79 -0.633 -14.546 -1.149
441 1HG2 THR 79 3HG2 THR 79 2.334 -14.731 -3.054
442 2HG2 THR 79 2HG2 THR 79 0.948 -15.569 -3.757
443 3HG2 THR 79 1HG2 THR 79 1.521 -14.060 -4.468
444 H VAL 80 H VAL 80 1.949 -10.982 -0.387
445 HA VAL 80 HA VAL 80 -0.429 -10.432 1.081
446 HB VAL 80 HB VAL 80 1.744 -9.650 1.879
447 1HG1 VAL 80 2HG1 VAL 80 1.814 -8.332 -0.764
448 2HG1 VAL 80 3HG1 VAL 80 2.507 -7.445 0.593
449 3HG1 VAL 80 1HG1 VAL 80 3.115 -9.051 0.186
450 1HG2 VAL 80 3HG2 VAL 80 -0.483 -7.768 1.405
451 2HG2 VAL 80 1HG2 VAL 80 0.246 -8.312 2.916
452 3HG2 VAL 80 2HG2 VAL 80 1.042 -7.069 1.949
453 H SER 81 H SER 81 -2.156 -9.236 0.575
454 HA SER 81 HA SER 81 -2.595 -8.664 -2.182
455 HG SER 81 HG SER 81 -3.793 -10.144 0.261
456 H ALA 82 H ALA 82 -2.340 -6.635 0.736
457 HA ALA 82 HA ALA 82 -1.654 -4.329 -0.901
458 1HB ALA 82 1HB ALA 82 -4.311 -4.783 0.199
459 2HB ALA 82 3HB ALA 82 -3.767 -3.613 -1.007
460 3HB ALA 82 2HB ALA 82 -3.607 -3.247 0.712
461 H LEU 83 H LEU 83 -1.223 -2.396 0.475
462 HA LEU 83 HA LEU 83 -0.673 -2.949 3.262
463 HG LEU 83 HG LEU 83 1.140 -2.174 0.164
464 1HD1 LEU 83 3HD1 LEU 83 2.671 -0.459 2.090
465 2HD1 LEU 83 1HD1 LEU 83 2.939 -0.364 0.349
466 3HD1 LEU 83 2HD1 LEU 83 1.344 -0.009 1.017
467 1HD2 LEU 83 3HD2 LEU 83 2.916 -3.938 0.968
468 2HD2 LEU 83 1HD2 LEU 83 3.215 -2.914 -0.437
469 3HD2 LEU 83 2HD2 LEU 83 3.934 -2.507 1.121
470 H ALA 84 H ALA 84 -0.797 -1.178 4.520
471 HA ALA 84 HA ALA 84 -1.537 1.311 3.147
472 1HB ALA 84 2HB ALA 84 -2.803 -0.136 5.180
473 2HB ALA 84 3HB ALA 84 -2.154 1.308 5.956
474 3HB ALA 84 1HB ALA 84 -3.235 1.460 4.571
475 H VAL 85 H VAL 85 -0.141 2.901 3.178
476 HA VAL 85 HA VAL 85 2.094 2.904 5.050
477 HB VAL 85 HB VAL 85 1.472 4.860 2.825
478 1HG1 VAL 85 1HG1 VAL 85 3.948 4.414 4.483
479 2HG1 VAL 85 2HG1 VAL 85 3.887 5.424 3.041
480 3HG1 VAL 85 3HG1 VAL 85 2.926 5.850 4.456
481 1HG2 VAL 85 1HG2 VAL 85 3.208 2.397 2.842
482 2HG2 VAL 85 2HG2 VAL 85 1.810 2.724 1.817
483 3HG2 VAL 85 3HG2 VAL 85 3.296 3.653 1.604
484 H VAL 86 H VAL 86 1.539 3.645 7.014
485 HA VAL 86 HA VAL 86 -0.466 5.689 7.354
486 HB VAL 86 HB VAL 86 1.406 4.589 9.457
487 1HG1 VAL 86 2HG1 VAL 86 -1.267 5.970 9.627
488 2HG1 VAL 86 3HG1 VAL 86 -0.411 5.255 10.991
489 3HG1 VAL 86 1HG1 VAL 86 0.292 6.620 10.127
490 1HG2 VAL 86 3HG2 VAL 86 -1.047 3.443 8.228
491 2HG2 VAL 86 1HG2 VAL 86 0.389 2.632 8.854
492 3HG2 VAL 86 2HG2 VAL 86 -0.828 3.254 9.969
493 H ASP 87 H ASP 87 3.012 5.423 8.012
494 HA ASP 87 HA ASP 87 3.210 8.337 7.681
495 HA PRO 88 HA PRO 88 6.005 6.823 4.559
496 H GLY 89 H GLY 89 6.774 9.497 6.732
497 1HA GLY 89 2HA GLY 89 9.453 8.567 7.151
498 2HA GLY 89 1HA GLY 89 8.751 10.053 7.778
499 H GLU 90 H GLU 90 11.311 9.238 6.250
500 HA GLU 90 HA GLU 90 11.527 11.641 4.674
501 H SER 91 H SER 91 11.077 8.252 4.165
502 HA SER 91 HA SER 91 11.903 7.877 1.607
503 HG SER 91 HG SER 91 9.910 6.514 4.369
504 H ARG 92 H ARG 92 11.248 8.372 -0.353
505 HA ARG 92 HA ARG 92 8.882 9.969 -0.812
506 HE ARG 92 HE ARG 92 12.777 7.043 -4.239
507 1HH1 ARG 92 2HH1 ARG 92 12.576 9.753 -6.444
508 2HH1 ARG 92 1HH1 ARG 92 13.472 8.962 -7.705
509 1HH2 ARG 92 2HH2 ARG 92 13.946 5.984 -5.903
510 2HH2 ARG 92 1HH2 ARG 92 14.245 6.816 -7.405
511 H ILE 93 H ILE 93 8.111 7.602 0.266
512 HA ILE 93 HA ILE 93 7.607 5.577 -1.651
513 HB ILE 93 HB ILE 93 7.818 5.452 0.949
514 1HG2 ILE 93 3HG2 ILE 93 5.518 6.870 0.936
515 2HG2 ILE 93 1HG2 ILE 93 4.902 5.225 1.102
516 3HG2 ILE 93 2HG2 ILE 93 6.064 5.855 2.270
517 1HD1 ILE 93 1HD1 ILE 93 4.942 4.374 -1.004
518 2HD1 ILE 93 2HD1 ILE 93 5.514 2.733 -1.305
519 3HD1 ILE 93 3HD1 ILE 93 4.725 3.123 0.223
520 H LEU 94 H LEU 94 5.667 8.266 -0.405
521 HA LEU 94 HA LEU 94 3.337 7.340 -1.843
522 HG LEU 94 HG LEU 94 4.915 10.150 -0.131
523 1HD1 LEU 94 3HD1 LEU 94 3.628 11.223 -2.007
524 2HD1 LEU 94 1HD1 LEU 94 2.485 11.798 -0.794
525 3HD1 LEU 94 2HD1 LEU 94 4.168 12.323 -0.739
526 1HD2 LEU 94 3HD2 LEU 94 2.410 10.477 1.490
527 2HD2 LEU 94 1HD2 LEU 94 3.992 9.900 2.012
528 3HD2 LEU 94 2HD2 LEU 94 3.761 11.602 1.616
529 H ALA 95 H ALA 95 6.084 9.168 -2.503
530 HA ALA 95 HA ALA 95 5.245 11.113 -4.267
531 1HB ALA 95 2HB ALA 95 7.432 11.446 -4.375
532 2HB ALA 95 1HB ALA 95 7.631 9.960 -5.308
533 3HB ALA 95 3HB ALA 95 7.700 9.913 -3.545
534 H LEU 96 H LEU 96 6.157 7.763 -5.079
535 HA LEU 96 HA LEU 96 5.085 8.115 -7.759
536 HG LEU 96 HG LEU 96 5.427 4.774 -6.131
537 1HD1 LEU 96 2HD1 LEU 96 7.809 4.516 -7.837
538 2HD1 LEU 96 3HD1 LEU 96 7.849 3.605 -6.329
539 3HD1 LEU 96 1HD1 LEU 96 6.536 3.350 -7.480
540 1HD2 LEU 96 1HD2 LEU 96 6.694 6.547 -4.757
541 2HD2 LEU 96 2HD2 LEU 96 6.894 4.849 -4.317
542 3HD2 LEU 96 3HD2 LEU 96 8.147 5.673 -5.245
543 H GLY 97 H GLY 97 3.910 7.288 -4.762
544 1HA GLY 97 2HA GLY 97 1.982 6.224 -4.044
545 2HA GLY 97 1HA GLY 97 1.933 5.354 -5.571
546 H GLY 98 H GLY 98 1.967 8.835 -4.918
547 1HA GLY 98 2HA GLY 98 -0.769 9.312 -5.407
548 2HA GLY 98 1HA GLY 98 0.131 9.493 -6.909
549 H LYS 99 H LYS 99 -1.296 11.508 -5.323
550 HA LYS 99 HA LYS 99 0.487 13.075 -3.817
551 1HZ LYS 99 1HZ LYS 99 3.971 17.375 -7.106
552 2HZ LYS 99 3HZ LYS 99 5.196 16.314 -6.595
553 3HZ LYS 99 2HZ LYS 99 4.208 15.904 -7.914
554 H GLU 100 H GLU 100 -0.859 14.053 -2.498
555 HA GLU 100 HA GLU 100 -3.337 15.188 -3.613
No H/Q in entry = 555
Start of MODEL 9
1 H1 GLY -2 3H GLY -2 17.174 7.463 -5.559
2 H2 GLY -2 2H GLY -2 18.652 8.247 -5.280
3 H3 GLY -2 1H GLY -2 17.189 9.052 -4.969
4 1HA GLY -2 1HA GLY -2 18.308 8.277 -7.600
5 2HA GLY -2 2HA GLY -2 18.023 9.907 -6.998
6 H SER -1 H SER -1 16.940 7.918 -9.208
7 HA SER -1 HA SER -1 14.393 9.144 -9.464
8 HG SER -1 HG SER -1 13.538 6.739 -11.723
9 H VAL 1 H VAL 1 12.445 8.538 -8.704
10 HA VAL 1 HA VAL 1 12.282 6.629 -6.639
11 HB VAL 1 HB VAL 1 9.821 7.001 -6.725
12 1HG1 VAL 1 2HG1 VAL 1 11.494 8.490 -5.528
13 2HG1 VAL 1 3HG1 VAL 1 11.288 9.621 -6.865
14 3HG1 VAL 1 1HG1 VAL 1 9.907 9.187 -5.856
15 1HG2 VAL 1 1HG2 VAL 1 9.746 7.361 -9.210
16 2HG2 VAL 1 2HG2 VAL 1 8.838 8.532 -8.254
17 3HG2 VAL 1 3HG2 VAL 1 10.410 8.970 -8.924
18 H ASP 2 H ASP 2 11.719 4.551 -6.586
19 HA ASP 2 HA ASP 2 10.912 3.314 -9.142
20 H PHE 3 H PHE 3 11.233 2.167 -5.790
21 HA PHE 3 HA PHE 3 8.761 2.199 -4.820
22 HD1 PHE 3 1HD PHE 3 8.167 -2.095 -5.132
23 HD2 PHE 3 2HD PHE 3 6.234 1.688 -4.908
24 HE1 PHE 3 1HE PHE 3 6.457 -3.056 -3.647
25 HE2 PHE 3 2HE PHE 3 4.524 0.733 -3.427
26 HZ PHE 3 HZ PHE 3 4.635 -1.641 -2.788
27 H ALA 4 H ALA 4 11.078 -0.369 -5.563
28 HA ALA 4 HA ALA 4 10.730 -1.833 -3.243
29 1HB ALA 4 3HB ALA 4 12.391 -1.959 -5.525
30 2HB ALA 4 2HB ALA 4 12.030 -3.231 -4.359
31 3HB ALA 4 1HB ALA 4 13.418 -2.170 -4.104
32 H PHE 5 H PHE 5 13.306 0.545 -3.922
33 HA PHE 5 HA PHE 5 14.508 0.315 -1.360
34 HD1 PHE 5 1HD PHE 5 16.473 0.845 -0.621
35 HD2 PHE 5 2HD PHE 5 15.792 4.496 -2.696
36 HE1 PHE 5 1HE PHE 5 18.018 1.996 0.906
37 HE2 PHE 5 2HE PHE 5 17.339 5.652 -1.174
38 HZ PHE 5 HZ PHE 5 18.455 4.402 0.629
39 H GLU 6 H GLU 6 12.134 2.509 -2.741
40 HA GLU 6 HA GLU 6 11.842 4.272 -0.606
41 H LEU 7 H LEU 7 10.143 1.238 -1.306
42 HA LEU 7 HA LEU 7 8.435 1.341 0.948
43 HG LEU 7 HG LEU 7 7.940 -1.543 1.516
44 1HD1 LEU 7 3HD1 LEU 7 6.419 0.591 0.301
45 2HD1 LEU 7 1HD1 LEU 7 5.417 -0.827 0.604
46 3HD1 LEU 7 2HD1 LEU 7 6.315 -0.083 1.926
47 1HD2 LEU 7 1HD2 LEU 7 7.625 -2.509 -1.126
48 2HD2 LEU 7 2HD2 LEU 7 7.278 -3.335 0.392
49 3HD2 LEU 7 3HD2 LEU 7 6.021 -2.387 -0.405
50 H ARG 8 H ARG 8 11.603 -0.148 0.388
51 HA ARG 8 HA ARG 8 11.827 -1.523 2.830
52 HE ARG 8 HE ARG 8 14.535 -3.219 3.091
53 1HH1 ARG 8 2HH1 ARG 8 11.672 -5.227 3.031
54 2HH1 ARG 8 1HH1 ARG 8 11.924 -5.846 4.635
55 1HH2 ARG 8 2HH2 ARG 8 14.885 -4.057 5.178
56 2HH2 ARG 8 1HH2 ARG 8 13.754 -5.203 5.849
57 H LYS 9 H LYS 9 12.713 1.773 1.921
58 HA LYS 9 HA LYS 9 13.789 2.461 4.461
59 1HZ LYS 9 3HZ LYS 9 16.362 6.007 2.524
60 2HZ LYS 9 2HZ LYS 9 16.778 6.822 3.949
61 3HZ LYS 9 1HZ LYS 9 17.829 5.657 3.301
62 H ALA 10 H ALA 10 10.618 2.888 2.947
63 HA ALA 10 HA ALA 10 9.420 4.473 4.910
64 1HB ALA 10 2HB ALA 10 7.466 2.705 3.842
65 2HB ALA 10 3HB ALA 10 7.764 4.400 3.446
66 3HB ALA 10 1HB ALA 10 8.606 3.126 2.561
67 H GLN 11 H GLN 11 9.779 0.976 4.712
68 HA GLN 11 HA GLN 11 8.128 0.259 6.872
69 1HE2 GLN 11 1HE2 GLN 11 6.109 -1.419 4.870
70 2HE2 GLN 11 2HE2 GLN 11 5.373 -2.177 6.237
71 H ASP 12 H ASP 12 11.470 1.341 6.734
72 HA ASP 12 HA ASP 12 11.941 0.775 9.522
73 H THR 13 H THR 13 11.640 3.722 7.536
74 HA THR 13 HA THR 13 12.060 5.507 9.680
75 HB THR 13 HB THR 13 11.010 7.220 8.141
76 HG1 THR 13 1HG THR 13 9.786 6.363 6.632
77 1HG2 THR 13 2HG2 THR 13 13.476 6.435 8.214
78 2HG2 THR 13 1HG2 THR 13 13.101 5.643 6.684
79 3HG2 THR 13 3HG2 THR 13 12.932 7.392 6.835
80 H GLY 14 H GLY 14 9.078 4.303 8.182
81 1HA GLY 14 2HA GLY 14 6.932 5.325 8.885
82 2HA GLY 14 1HA GLY 14 7.626 5.429 10.497
83 H LYS 15 H LYS 15 5.261 4.006 9.254
84 HA LYS 15 HA LYS 15 5.882 1.217 9.722
85 1HZ LYS 15 3HZ LYS 15 2.613 1.197 13.453
86 2HZ LYS 15 2HZ LYS 15 1.980 2.132 14.712
87 3HZ LYS 15 1HZ LYS 15 2.072 2.776 13.148
88 H ILE 16 H ILE 16 4.667 -0.068 8.463
89 HA ILE 16 HA ILE 16 2.400 1.197 7.059
90 HB ILE 16 HB ILE 16 4.248 -0.866 5.864
91 1HG2 ILE 16 1HG2 ILE 16 1.960 -0.712 4.939
92 2HG2 ILE 16 2HG2 ILE 16 2.247 0.990 4.579
93 3HG2 ILE 16 3HG2 ILE 16 3.201 -0.256 3.774
94 1HD1 ILE 16 1HD1 ILE 16 5.382 0.002 3.872
95 2HD1 ILE 16 2HD1 ILE 16 5.111 1.701 3.492
96 3HD1 ILE 16 3HD1 ILE 16 6.558 1.216 4.375
97 H VAL 17 H VAL 17 0.530 0.175 7.270
98 HA VAL 17 HA VAL 17 0.444 -2.328 8.702
99 HB VAL 17 HB VAL 17 -1.877 -0.740 7.603
100 1HG1 VAL 17 2HG1 VAL 17 -1.596 -3.050 9.450
101 2HG1 VAL 17 3HG1 VAL 17 -2.861 -1.870 9.780
102 3HG1 VAL 17 1HG1 VAL 17 -2.830 -2.718 8.235
103 1HG2 VAL 17 2HG2 VAL 17 -0.241 -0.387 10.080
104 2HG2 VAL 17 3HG2 VAL 17 -0.868 0.829 8.967
105 3HG2 VAL 17 1HG2 VAL 17 -1.957 0.018 10.091
106 H MET 18 H MET 18 1.080 -3.981 7.415
107 HA MET 18 HA MET 18 -0.106 -4.346 4.781
108 1HE MET 18 1HE MET 18 2.297 -7.223 9.363
109 2HE MET 18 2HE MET 18 3.945 -7.179 8.731
110 3HE MET 18 3HE MET 18 3.475 -6.097 10.042
111 H GLY 19 H GLY 19 -1.722 -5.798 4.316
112 1HA GLY 19 2HA GLY 19 -3.261 -6.729 6.549
113 2HA GLY 19 1HA GLY 19 -2.434 -8.046 5.738
114 H ALA 20 H ALA 20 -3.428 -5.359 3.832
115 HA ALA 20 HA ALA 20 -4.880 -5.148 2.107
116 1HB ALA 20 2HB ALA 20 -5.290 -8.105 2.482
117 2HB ALA 20 3HB ALA 20 -6.078 -7.158 1.220
118 3HB ALA 20 1HB ALA 20 -4.319 -7.295 1.253
119 H ARG 21 H ARG 21 -6.411 -7.415 4.418
120 HA ARG 21 HA ARG 21 -8.927 -6.062 4.281
121 HE ARG 21 HE ARG 21 -6.376 -9.315 8.554
122 1HH1 ARG 21 2HH1 ARG 21 -8.379 -6.984 10.228
123 2HH1 ARG 21 1HH1 ARG 21 -7.736 -7.366 11.799
124 1HH2 ARG 21 2HH2 ARG 21 -5.473 -9.781 10.607
125 2HH2 ARG 21 1HH2 ARG 21 -6.059 -8.930 12.009
126 H LYS 22 H LYS 22 -6.078 -5.804 6.257
127 HA LYS 22 HA LYS 22 -7.142 -4.047 8.240
128 1HZ LYS 22 3HZ LYS 22 -4.329 -4.839 11.803
129 2HZ LYS 22 2HZ LYS 22 -4.842 -6.296 12.505
130 3HZ LYS 22 1HZ LYS 22 -3.260 -5.746 12.758
131 H SER 23 H SER 23 -5.724 -3.673 5.061
132 HA SER 23 HA SER 23 -5.460 -0.862 5.058
133 HG SER 23 HG SER 23 -3.401 -2.061 3.474
134 H ILE 24 H ILE 24 -8.108 -3.057 4.356
135 HA ILE 24 HA ILE 24 -9.930 -1.208 3.240
136 HB ILE 24 HB ILE 24 -10.500 -3.695 4.869
137 1HG2 ILE 24 2HG2 ILE 24 -12.244 -1.669 3.875
138 2HG2 ILE 24 3HG2 ILE 24 -12.543 -3.166 2.991
139 3HG2 ILE 24 1HG2 ILE 24 -12.645 -3.147 4.752
140 1HD1 ILE 24 1HD1 ILE 24 -11.761 -5.256 3.264
141 2HD1 ILE 24 2HD1 ILE 24 -11.256 -5.322 1.576
142 3HD1 ILE 24 3HD1 ILE 24 -10.232 -6.022 2.830
143 H GLN 25 H GLN 25 -9.346 -2.277 6.568
144 HA GLN 25 HA GLN 25 -11.352 -0.789 7.840
145 1HE2 GLN 25 1HE2 GLN 25 -11.192 -2.359 12.245
146 2HE2 GLN 25 2HE2 GLN 25 -12.872 -2.408 11.816
147 H TYR 26 H TYR 26 -8.015 0.021 7.005
148 HA TYR 26 HA TYR 26 -8.089 2.640 8.110
149 HD1 TYR 26 1HD TYR 26 -6.642 0.238 8.912
150 HD2 TYR 26 2HD TYR 26 -4.377 3.629 7.702
151 HE1 TYR 26 1HE TYR 26 -5.288 0.058 10.956
152 HE2 TYR 26 2HE TYR 26 -3.012 3.451 9.738
153 HH TYR 26 HH TYR 26 -3.106 0.707 11.784
154 H ALA 27 H ALA 27 -8.908 1.301 4.966
155 HA ALA 27 HA ALA 27 -9.143 3.729 3.564
156 1HB ALA 27 3HB ALA 27 -10.852 1.307 3.058
157 2HB ALA 27 2HB ALA 27 -9.151 1.386 2.597
158 3HB ALA 27 1HB ALA 27 -10.307 2.524 1.903
159 H LYS 28 H LYS 28 -11.356 1.992 5.666
160 HA LYS 28 HA LYS 28 -13.672 3.498 5.109
161 1HZ LYS 28 1HZ LYS 28 -15.639 -2.036 8.104
162 2HZ LYS 28 3HZ LYS 28 -15.839 -3.095 6.797
163 3HZ LYS 28 2HZ LYS 28 -14.375 -3.069 7.646
164 H MET 29 H MET 29 -11.382 3.792 7.847
165 HA MET 29 HA MET 29 -11.561 6.647 7.848
166 1HE MET 29 2HE MET 29 -13.055 2.580 11.845
167 2HE MET 29 3HE MET 29 -14.819 2.607 11.831
168 3HE MET 29 1HE MET 29 -13.950 1.389 10.897
169 H GLY 30 H GLY 30 -9.503 4.865 7.631
170 1HA GLY 30 2HA GLY 30 -7.538 4.128 8.553
171 2HA GLY 30 1HA GLY 30 -8.164 4.504 10.154
172 H GLY 31 H GLY 31 -7.958 6.754 7.467
173 1HA GLY 31 2HA GLY 31 -6.330 8.584 8.993
174 2HA GLY 31 1HA GLY 31 -6.856 8.789 7.326
175 H ALA 32 H ALA 32 -5.878 6.269 6.412
176 HA ALA 32 HA ALA 32 -3.085 6.026 6.927
177 1HB ALA 32 2HB ALA 32 -3.902 4.947 4.372
178 2HB ALA 32 3HB ALA 32 -3.302 4.113 5.806
179 3HB ALA 32 1HB ALA 32 -5.019 4.482 5.655
180 H LYS 33 H LYS 33 -1.364 6.709 5.695
181 HA LYS 33 HA LYS 33 -1.780 9.145 4.249
182 1HZ LYS 33 1HZ LYS 33 -1.089 13.096 3.766
183 2HZ LYS 33 3HZ LYS 33 0.230 13.939 4.423
184 3HZ LYS 33 2HZ LYS 33 -0.001 13.895 2.743
185 H LEU 34 H LEU 34 -0.420 5.919 3.354
186 HA LEU 34 HA LEU 34 -1.633 6.336 0.712
187 HG LEU 34 HG LEU 34 0.215 4.490 -0.904
188 1HD1 LEU 34 1HD1 LEU 34 -0.926 7.049 -1.244
189 2HD1 LEU 34 2HD1 LEU 34 0.159 6.773 -2.605
190 3HD1 LEU 34 3HD1 LEU 34 -1.128 5.619 -2.255
191 1HD2 LEU 34 3HD2 LEU 34 2.503 6.353 -0.946
192 2HD2 LEU 34 1HD2 LEU 34 2.437 4.620 -1.273
193 3HD2 LEU 34 2HD2 LEU 34 1.930 5.773 -2.510
194 H ILE 35 H ILE 35 -2.706 4.559 0.096
195 HA ILE 35 HA ILE 35 -1.975 2.004 1.367
196 HB ILE 35 HB ILE 35 -4.523 2.746 -0.086
197 1HG2 ILE 35 2HG2 ILE 35 -3.632 0.321 -0.225
198 2HG2 ILE 35 3HG2 ILE 35 -4.099 0.223 1.472
199 3HG2 ILE 35 1HG2 ILE 35 -5.312 0.580 0.245
200 1HD1 ILE 35 1HD1 ILE 35 -6.408 1.961 1.415
201 2HD1 ILE 35 2HD1 ILE 35 -6.165 1.925 3.160
202 3HD1 ILE 35 3HD1 ILE 35 -6.494 3.454 2.347
203 H ILE 36 H ILE 36 -0.858 0.610 0.193
204 HA ILE 36 HA ILE 36 -0.840 0.924 -2.735
205 HB ILE 36 HB ILE 36 1.166 -0.509 -0.980
206 1HG2 ILE 36 2HG2 ILE 36 0.777 -0.325 -3.882
207 2HG2 ILE 36 3HG2 ILE 36 2.420 0.006 -3.336
208 3HG2 ILE 36 1HG2 ILE 36 1.646 -1.524 -2.926
209 1HD1 ILE 36 3HD1 ILE 36 3.265 0.683 -0.526
210 2HD1 ILE 36 1HD1 ILE 36 3.599 1.204 -2.179
211 3HD1 ILE 36 2HD1 ILE 36 3.418 2.400 -0.896
212 H VAL 37 H VAL 37 -1.647 -0.662 -3.986
213 HA VAL 37 HA VAL 37 -2.209 -3.262 -2.722
214 HB VAL 37 HB VAL 37 -4.296 -3.424 -4.044
215 1HG1 VAL 37 1HG1 VAL 37 -3.870 -1.420 -1.920
216 2HG1 VAL 37 2HG1 VAL 37 -5.404 -1.326 -2.785
217 3HG1 VAL 37 3HG1 VAL 37 -4.945 -2.818 -1.965
218 1HG2 VAL 37 3HG2 VAL 37 -3.267 -1.041 -5.275
219 2HG2 VAL 37 1HG2 VAL 37 -4.628 -2.052 -5.763
220 3HG2 VAL 37 2HG2 VAL 37 -4.874 -0.737 -4.612
221 H ALA 38 H ALA 38 -1.635 -5.015 -3.885
222 HA ALA 38 HA ALA 38 -0.013 -4.672 -6.210
223 1HB ALA 38 1HB ALA 38 0.724 -6.697 -5.653
224 2HB ALA 38 2HB ALA 38 -0.403 -6.674 -4.298
225 3HB ALA 38 3HB ALA 38 -0.886 -7.394 -5.834
226 H ARG 39 H ARG 39 -0.510 -4.977 -8.359
227 HA ARG 39 HA ARG 39 -3.198 -4.744 -9.127
228 HE ARG 39 HE ARG 39 0.097 -7.698 -13.497
229 1HH1 ARG 39 2HH1 ARG 39 1.610 -4.629 -12.722
230 2HH1 ARG 39 1HH1 ARG 39 3.216 -5.211 -13.070
231 1HH2 ARG 39 2HH2 ARG 39 2.193 -8.441 -13.946
232 2HH2 ARG 39 1HH2 ARG 39 3.548 -7.366 -13.748
233 H ASN 40 H ASN 40 -1.097 -7.527 -8.819
234 HA ASN 40 HA ASN 40 -3.140 -9.332 -9.831
235 1HD2 ASN 40 1HD2 ASN 40 0.890 -9.219 -10.543
236 2HD2 ASN 40 2HD2 ASN 40 0.531 -9.570 -12.201
237 H ALA 41 H ALA 41 -4.149 -7.965 -7.790
238 HA ALA 41 HA ALA 41 -4.260 -9.938 -5.608
239 1HB ALA 41 3HB ALA 41 -4.572 -6.947 -5.500
240 2HB ALA 41 1HB ALA 41 -5.185 -8.004 -4.229
241 3HB ALA 41 2HB ALA 41 -3.459 -7.964 -4.589
242 H ARG 42 H ARG 42 -6.440 -10.118 -4.628
243 HA ARG 42 HA ARG 42 -8.377 -10.752 -6.502
244 HE ARG 42 HE ARG 42 -7.761 -14.116 -2.703
245 1HH1 ARG 42 2HH1 ARG 42 -10.493 -12.976 -0.836
246 2HH1 ARG 42 1HH1 ARG 42 -10.386 -14.254 0.337
247 1HH2 ARG 42 2HH2 ARG 42 -7.665 -15.837 -1.214
248 2HH2 ARG 42 1HH2 ARG 42 -8.826 -15.926 0.081
249 HA PRO 43 HA PRO 43 -9.964 -6.831 -7.890
250 H ASP 44 H ASP 44 -11.899 -8.985 -5.867
251 HA ASP 44 HA ASP 44 -13.796 -7.202 -4.880
252 H ILE 45 H ILE 45 -10.547 -7.933 -3.720
253 HA ILE 45 HA ILE 45 -10.628 -6.251 -1.442
254 HB ILE 45 HB ILE 45 -8.261 -7.296 -3.009
255 1HG2 ILE 45 2HG2 ILE 45 -8.275 -5.297 -1.059
256 2HG2 ILE 45 3HG2 ILE 45 -7.713 -6.755 -0.240
257 3HG2 ILE 45 1HG2 ILE 45 -6.882 -6.177 -1.684
258 1HD1 ILE 45 2HD1 ILE 45 -9.427 -7.470 0.443
259 2HD1 ILE 45 3HD1 ILE 45 -10.831 -8.288 -0.244
260 3HD1 ILE 45 1HD1 ILE 45 -9.551 -9.226 0.527
261 H LYS 46 H LYS 46 -9.422 -5.830 -4.742
262 HA LYS 46 HA LYS 46 -8.349 -3.258 -4.444
263 1HZ LYS 46 1HZ LYS 46 -5.662 -2.548 -7.995
264 2HZ LYS 46 3HZ LYS 46 -4.728 -3.289 -6.792
265 3HZ LYS 46 2HZ LYS 46 -4.079 -3.057 -8.335
266 H GLU 47 H GLU 47 -11.547 -4.221 -5.717
267 HA GLU 47 HA GLU 47 -12.490 -1.653 -6.206
268 H ASP 48 H ASP 48 -12.810 -3.638 -3.294
269 HA ASP 48 HA ASP 48 -14.504 -1.856 -1.934
270 H ILE 49 H ILE 49 -10.987 -2.358 -1.684
271 HA ILE 49 HA ILE 49 -10.534 -0.369 0.264
272 HB ILE 49 HB ILE 49 -8.653 -1.465 -1.831
273 1HG2 ILE 49 3HG2 ILE 49 -7.952 0.768 -1.057
274 2HG2 ILE 49 1HG2 ILE 49 -7.985 0.184 0.608
275 3HG2 ILE 49 2HG2 ILE 49 -6.839 -0.500 -0.544
276 1HD1 ILE 49 2HD1 ILE 49 -6.795 -2.611 -0.724
277 2HD1 ILE 49 3HD1 ILE 49 -6.872 -2.816 1.027
278 3HD1 ILE 49 1HD1 ILE 49 -7.479 -4.085 -0.038
279 H GLU 50 H GLU 50 -10.145 -0.226 -3.292
280 HA GLU 50 HA GLU 50 -9.299 2.436 -3.347
281 H TYR 51 H TYR 51 -12.575 1.114 -3.806
282 HA TYR 51 HA TYR 51 -13.845 3.559 -4.319
283 HD1 TYR 51 1HD TYR 51 -17.029 0.922 -2.194
284 HD2 TYR 51 2HD TYR 51 -16.007 4.135 -4.786
285 HE1 TYR 51 1HE TYR 51 -19.243 1.925 -1.818
286 HE2 TYR 51 2HE TYR 51 -18.211 5.146 -4.414
287 HH TYR 51 HH TYR 51 -20.227 4.338 -1.953
288 H TYR 52 H TYR 52 -13.419 1.805 -1.248
289 HA TYR 52 HA TYR 52 -14.745 3.755 0.313
290 HD1 TYR 52 1HD TYR 52 -14.639 1.166 3.567
291 HD2 TYR 52 2HD TYR 52 -15.695 1.645 -0.516
292 HE1 TYR 52 1HE TYR 52 -16.809 0.097 4.012
293 HE2 TYR 52 2HE TYR 52 -17.866 0.573 -0.091
294 HH TYR 52 HH TYR 52 -19.362 0.074 1.658
295 H ALA 53 H ALA 53 -11.310 3.244 -0.417
296 HA ALA 53 HA ALA 53 -10.315 5.253 1.295
297 1HB ALA 53 3HB ALA 53 -9.148 3.360 -0.223
298 2HB ALA 53 1HB ALA 53 -8.832 4.788 -1.206
299 3HB ALA 53 2HB ALA 53 -8.286 4.733 0.469
300 H ARG 54 H ARG 54 -11.409 5.330 -2.065
301 HA ARG 54 HA ARG 54 -10.612 7.970 -2.640
302 HE ARG 54 HE ARG 54 -9.130 7.322 -3.249
303 1HH1 ARG 54 2HH1 ARG 54 -8.536 9.247 -6.097
304 2HH1 ARG 54 1HH1 ARG 54 -7.400 10.301 -5.310
305 1HH2 ARG 54 2HH2 ARG 54 -7.586 8.650 -2.214
306 2HH2 ARG 54 1HH2 ARG 54 -6.850 9.960 -3.096
307 H LEU 55 H LEU 55 -13.567 6.664 -1.225
308 HA LEU 55 HA LEU 55 -15.061 9.059 -1.180
309 HG LEU 55 HG LEU 55 -15.578 6.062 -1.619
310 1HD1 LEU 55 3HD1 LEU 55 -16.788 5.288 0.668
311 2HD1 LEU 55 1HD1 LEU 55 -18.186 5.753 -0.301
312 3HD1 LEU 55 2HD1 LEU 55 -17.063 4.532 -0.902
313 1HD2 LEU 55 2HD2 LEU 55 -16.653 8.268 -2.212
314 2HD2 LEU 55 3HD2 LEU 55 -17.502 6.824 -2.766
315 3HD2 LEU 55 1HD2 LEU 55 -18.083 7.703 -1.352
316 H SER 56 H SER 56 -12.942 7.542 1.203
317 HA SER 56 HA SER 56 -13.234 9.547 3.172
318 HG SER 56 HG SER 56 -12.200 6.132 3.799
319 H GLY 57 H GLY 57 -10.533 8.862 0.925
320 1HA GLY 57 2HA GLY 57 -9.417 11.506 1.540
321 2HA GLY 57 1HA GLY 57 -9.862 11.158 -0.127
322 H ILE 58 H ILE 58 -8.761 8.518 1.726
323 HA ILE 58 HA ILE 58 -5.986 8.761 1.517
324 HB ILE 58 HB ILE 58 -7.590 6.197 1.569
325 1HG2 ILE 58 2HG2 ILE 58 -4.861 6.576 1.255
326 2HG2 ILE 58 3HG2 ILE 58 -5.056 6.196 2.966
327 3HG2 ILE 58 1HG2 ILE 58 -5.668 5.087 1.739
328 1HD1 ILE 58 2HD1 ILE 58 -8.038 5.267 3.874
329 2HD1 ILE 58 3HD1 ILE 58 -6.416 5.553 4.500
330 3HD1 ILE 58 1HD1 ILE 58 -7.808 6.294 5.289
331 HA PRO 59 HA PRO 59 -5.446 7.898 -2.841
332 H VAL 60 H VAL 60 -5.069 6.096 -4.045
333 HA VAL 60 HA VAL 60 -3.873 3.783 -2.646
334 HB VAL 60 HB VAL 60 -5.927 3.717 -4.865
335 1HG1 VAL 60 1HG1 VAL 60 -4.308 1.795 -4.716
336 2HG1 VAL 60 2HG1 VAL 60 -4.989 1.446 -3.125
337 3HG1 VAL 60 3HG1 VAL 60 -6.012 1.367 -4.559
338 1HG2 VAL 60 1HG2 VAL 60 -6.294 4.224 -2.121
339 2HG2 VAL 60 2HG2 VAL 60 -7.527 3.888 -3.336
340 3HG2 VAL 60 3HG2 VAL 60 -6.823 2.565 -2.404
341 H TYR 61 H TYR 61 -2.042 3.023 -3.470
342 HA TYR 61 HA TYR 61 -1.217 3.897 -6.148
343 HD1 TYR 61 1HD TYR 61 0.938 4.875 -6.882
344 HD2 TYR 61 2HD TYR 61 2.206 1.440 -4.717
345 HE1 TYR 61 1HE TYR 61 2.813 4.586 -8.444
346 HE2 TYR 61 2HE TYR 61 4.082 1.142 -6.275
347 HH TYR 61 HH TYR 61 5.054 3.539 -8.452
348 H GLU 62 H GLU 62 -1.005 2.512 -7.791
349 HA GLU 62 HA GLU 62 -1.831 -0.243 -7.438
350 H PHE 63 H PHE 63 -0.439 -1.818 -6.972
351 HA PHE 63 HA PHE 63 2.417 -1.362 -7.275
352 HD1 PHE 63 1HD PHE 63 4.266 -2.194 -6.585
353 HD2 PHE 63 2HD PHE 63 1.992 -5.610 -5.463
354 HE1 PHE 63 1HE PHE 63 6.326 -3.536 -6.489
355 HE2 PHE 63 2HE PHE 63 4.047 -6.954 -5.370
356 HZ PHE 63 HZ PHE 63 6.210 -5.924 -5.970
357 H GLU 64 H GLU 64 3.472 -1.894 -8.982
358 HA GLU 64 HA GLU 64 2.363 -3.555 -11.048
359 H GLY 65 H GLY 65 2.279 -5.357 -9.248
360 1HA GLY 65 2HA GLY 65 4.548 -6.747 -8.435
361 2HA GLY 65 1HA GLY 65 4.164 -7.324 -10.048
362 H THR 66 H THR 66 4.137 -8.730 -7.483
363 HA THR 66 HA THR 66 1.317 -9.583 -7.444
364 HB THR 66 HB THR 66 2.307 -11.883 -6.893
365 HG1 THR 66 1HG THR 66 4.609 -10.960 -8.260
366 1HG2 THR 66 3HG2 THR 66 2.160 -10.511 -9.492
367 2HG2 THR 66 2HG2 THR 66 3.110 -11.999 -9.481
368 3HG2 THR 66 1HG2 THR 66 1.424 -12.024 -8.962
369 H SER 67 H SER 67 0.692 -10.780 -5.464
370 HA SER 67 HA SER 67 1.162 -9.293 -3.152
371 HG SER 67 HG SER 67 -1.734 -10.271 -2.882
372 H VAL 68 H VAL 68 2.581 -12.384 -4.182
373 HA VAL 68 HA VAL 68 4.048 -12.852 -1.815
374 HB VAL 68 HB VAL 68 4.577 -13.802 -4.638
375 1HG1 VAL 68 3HG1 VAL 68 6.122 -14.136 -2.167
376 2HG1 VAL 68 1HG1 VAL 68 5.745 -15.645 -3.002
377 3HG1 VAL 68 2HG1 VAL 68 6.606 -14.357 -3.848
378 1HG2 VAL 68 3HG2 VAL 68 2.515 -14.441 -2.976
379 2HG2 VAL 68 1HG2 VAL 68 3.146 -15.484 -4.249
380 3HG2 VAL 68 2HG2 VAL 68 3.692 -15.694 -2.587
381 H GLU 69 H GLU 69 4.908 -11.254 -4.860
382 HA GLU 69 HA GLU 69 7.607 -10.755 -4.301
383 H LEU 70 H LEU 70 4.715 -8.813 -3.720
384 HA LEU 70 HA LEU 70 5.967 -6.563 -2.589
385 HG LEU 70 HG LEU 70 3.718 -5.855 -0.499
386 1HD1 LEU 70 1HD1 LEU 70 5.270 -4.820 -2.452
387 2HD1 LEU 70 2HD1 LEU 70 3.821 -3.829 -2.629
388 3HD1 LEU 70 3HD1 LEU 70 4.660 -3.894 -1.079
389 1HD2 LEU 70 1HD2 LEU 70 1.459 -6.208 -1.602
390 2HD2 LEU 70 2HD2 LEU 70 1.753 -4.612 -0.909
391 3HD2 LEU 70 3HD2 LEU 70 1.874 -4.853 -2.654
392 H GLY 71 H GLY 71 4.491 -9.419 -1.063
393 1HA GLY 71 2HA GLY 71 4.776 -10.353 1.013
394 2HA GLY 71 1HA GLY 71 5.002 -8.714 1.607
395 H THR 72 H THR 72 6.942 -10.602 -0.672
396 HA THR 72 HA THR 72 9.029 -11.256 1.098
397 HB THR 72 HB THR 72 9.219 -10.861 -1.899
398 HG1 THR 72 1HG THR 72 7.628 -12.373 -1.536
399 1HG2 THR 72 2HG2 THR 72 11.397 -11.042 -0.788
400 2HG2 THR 72 1HG2 THR 72 10.878 -12.533 -0.005
401 3HG2 THR 72 3HG2 THR 72 11.059 -12.475 -1.757
402 H LEU 73 H LEU 73 8.441 -8.456 -0.961
403 HA LEU 73 HA LEU 73 10.953 -7.201 -0.608
404 HG LEU 73 HG LEU 73 9.838 -4.203 -0.587
405 1HD1 LEU 73 1HD1 LEU 73 11.832 -5.715 -1.275
406 2HD1 LEU 73 2HD1 LEU 73 11.584 -5.011 -2.872
407 3HD1 LEU 73 3HD1 LEU 73 11.949 -3.969 -1.496
408 1HD2 LEU 73 2HD2 LEU 73 8.382 -4.425 -2.940
409 2HD2 LEU 73 3HD2 LEU 73 9.010 -2.942 -2.220
410 3HD2 LEU 73 1HD2 LEU 73 9.951 -3.797 -3.444
411 H LEU 74 H LEU 74 7.936 -7.125 1.207
412 HA LEU 74 HA LEU 74 8.664 -5.123 3.061
413 HG LEU 74 HG LEU 74 6.033 -5.646 1.727
414 1HD1 LEU 74 1HD1 LEU 74 4.436 -6.921 3.184
415 2HD1 LEU 74 2HD1 LEU 74 4.452 -5.539 4.282
416 3HD1 LEU 74 3HD1 LEU 74 3.863 -5.347 2.630
417 1HD2 LEU 74 1HD2 LEU 74 7.106 -3.988 3.805
418 2HD2 LEU 74 2HD2 LEU 74 6.579 -3.545 2.182
419 3HD2 LEU 74 3HD2 LEU 74 5.418 -3.571 3.508
420 H GLY 75 H GLY 75 9.272 -8.603 2.971
421 1HA GLY 75 2HA GLY 75 10.721 -8.405 5.519
422 2HA GLY 75 1HA GLY 75 11.636 -8.783 4.069
423 H ARG 76 H ARG 76 8.567 -9.867 5.502
424 HA ARG 76 HA ARG 76 9.554 -12.550 5.872
425 HE ARG 76 HE ARG 76 8.597 -10.932 10.556
426 1HH1 ARG 76 2HH1 ARG 76 9.885 -9.312 7.730
427 2HH1 ARG 76 1HH1 ARG 76 10.061 -7.777 8.522
428 1HH2 ARG 76 2HH2 ARG 76 8.831 -8.912 11.608
429 2HH2 ARG 76 1HH2 ARG 76 9.501 -7.562 10.741
430 HA PRO 77 HA PRO 77 8.105 -14.191 1.958
431 H HIS 78 H HIS 78 6.244 -13.275 4.397
432 HA HIS 78 HA HIS 78 3.793 -14.698 4.011
433 HD1 HIS 78 1HD HIS 78 3.817 -12.164 7.957
434 HD2 HIS 78 2HD HIS 78 5.098 -15.586 5.965
435 HE1 HIS 78 1HE HIS 78 4.659 -13.716 9.744
436 HE2 HIS 78 2HE HIS 78 5.327 -15.823 8.532
437 H THR 79 H THR 79 2.144 -14.278 2.644
438 HA THR 79 HA THR 79 2.655 -12.642 0.365
439 HB THR 79 HB THR 79 0.336 -13.312 -0.306
440 HG1 THR 79 1HG THR 79 -0.118 -13.589 2.166
441 1HG2 THR 79 1HG2 THR 79 2.521 -14.740 -0.542
442 2HG2 THR 79 3HG2 THR 79 1.725 -15.786 0.635
443 3HG2 THR 79 2HG2 THR 79 0.952 -15.452 -0.915
444 H VAL 80 H VAL 80 2.177 -10.530 0.102
445 HA VAL 80 HA VAL 80 0.066 -9.373 1.799
446 HB VAL 80 HB VAL 80 2.668 -8.034 1.028
447 1HG1 VAL 80 3HG1 VAL 80 0.292 -6.768 1.298
448 2HG1 VAL 80 1HG1 VAL 80 0.866 -6.749 2.965
449 3HG1 VAL 80 2HG1 VAL 80 1.851 -6.038 1.686
450 1HG2 VAL 80 2HG2 VAL 80 2.567 -9.773 2.941
451 2HG2 VAL 80 3HG2 VAL 80 3.344 -8.220 3.239
452 3HG2 VAL 80 1HG2 VAL 80 1.706 -8.509 3.820
453 H SER 81 H SER 81 -1.547 -8.667 0.617
454 HA SER 81 HA SER 81 -1.126 -8.144 -2.224
455 HG SER 81 HG SER 81 -3.632 -10.449 -1.061
456 H ALA 82 H ALA 82 -1.952 -6.519 0.739
457 HA ALA 82 HA ALA 82 -1.739 -3.952 -0.590
458 1HB ALA 82 3HB ALA 82 -4.256 -5.054 -0.247
459 2HB ALA 82 1HB ALA 82 -4.092 -3.922 1.096
460 3HB ALA 82 2HB ALA 82 -3.883 -3.360 -0.563
461 H LEU 83 H LEU 83 -1.078 -2.335 0.728
462 HA LEU 83 HA LEU 83 -0.983 -2.764 3.612
463 HG LEU 83 HG LEU 83 1.725 -0.950 1.747
464 1HD1 LEU 83 2HD1 LEU 83 3.454 -2.625 3.115
465 2HD1 LEU 83 3HD1 LEU 83 3.826 -2.914 1.415
466 3HD1 LEU 83 1HD1 LEU 83 3.899 -1.278 2.070
467 1HD2 LEU 83 2HD2 LEU 83 1.109 -3.503 0.456
468 2HD2 LEU 83 3HD2 LEU 83 1.036 -1.860 -0.183
469 3HD2 LEU 83 1HD2 LEU 83 2.574 -2.722 -0.148
470 H ALA 84 H ALA 84 -1.179 -0.918 4.748
471 HA ALA 84 HA ALA 84 -1.360 1.558 3.163
472 1HB ALA 84 1HB ALA 84 -2.677 1.133 5.826
473 2HB ALA 84 3HB ALA 84 -3.420 0.574 4.327
474 3HB ALA 84 2HB ALA 84 -3.088 2.291 4.560
475 H VAL 85 H VAL 85 0.214 2.993 3.482
476 HA VAL 85 HA VAL 85 1.872 2.845 5.854
477 HB VAL 85 HB VAL 85 2.725 3.371 3.491
478 1HG1 VAL 85 2HG1 VAL 85 0.987 5.539 3.721
479 2HG1 VAL 85 3HG1 VAL 85 2.625 6.194 3.776
480 3HG1 VAL 85 1HG1 VAL 85 2.124 5.182 2.421
481 1HG2 VAL 85 2HG2 VAL 85 4.065 3.529 5.556
482 2HG2 VAL 85 3HG2 VAL 85 4.540 4.710 4.338
483 3HG2 VAL 85 1HG2 VAL 85 3.565 5.213 5.716
484 H VAL 86 H VAL 86 1.668 4.061 7.606
485 HA VAL 86 HA VAL 86 -0.518 5.980 7.704
486 HB VAL 86 HB VAL 86 1.264 5.065 9.966
487 1HG1 VAL 86 2HG1 VAL 86 -1.328 6.576 9.845
488 2HG1 VAL 86 3HG1 VAL 86 -0.792 5.742 11.306
489 3HG1 VAL 86 1HG1 VAL 86 0.183 7.044 10.623
490 1HG2 VAL 86 1HG2 VAL 86 -0.966 3.736 8.610
491 2HG2 VAL 86 2HG2 VAL 86 0.296 3.067 9.643
492 3HG2 VAL 86 3HG2 VAL 86 -1.125 3.822 10.364
493 H ASP 87 H ASP 87 2.966 5.824 8.187
494 HA ASP 87 HA ASP 87 3.158 8.643 7.535
495 HA PRO 88 HA PRO 88 6.389 6.516 5.272
496 H GLY 89 H GLY 89 6.659 9.795 6.565
497 1HA GLY 89 2HA GLY 89 9.322 9.277 7.568
498 2HA GLY 89 1HA GLY 89 8.405 10.768 7.742
499 H GLU 90 H GLU 90 11.218 10.032 6.763
500 HA GLU 90 HA GLU 90 11.373 12.035 4.746
501 H SER 91 H SER 91 11.047 8.587 4.733
502 HA SER 91 HA SER 91 11.926 8.015 2.135
503 HG SER 91 HG SER 91 11.223 5.889 4.974
504 H ARG 92 H ARG 92 11.135 8.616 0.256
505 HA ARG 92 HA ARG 92 8.522 9.860 0.131
506 HE ARG 92 HE ARG 92 11.137 14.419 -1.270
507 1HH1 ARG 92 2HH1 ARG 92 13.288 11.692 -0.738
508 2HH1 ARG 92 1HH1 ARG 92 14.380 12.595 0.271
509 1HH2 ARG 92 2HH2 ARG 92 12.542 15.587 0.083
510 2HH2 ARG 92 1HH2 ARG 92 13.972 14.820 0.715
511 H ILE 93 H ILE 93 7.702 7.527 0.541
512 HA ILE 93 HA ILE 93 7.588 5.814 -1.765
513 HB ILE 93 HB ILE 93 7.408 4.847 0.466
514 1HG2 ILE 93 2HG2 ILE 93 5.868 6.956 1.139
515 2HG2 ILE 93 3HG2 ILE 93 4.640 5.709 0.930
516 3HG2 ILE 93 1HG2 ILE 93 5.964 5.462 2.069
517 1HD1 ILE 93 2HD1 ILE 93 7.616 3.558 -1.512
518 2HD1 ILE 93 3HD1 ILE 93 6.431 2.253 -1.423
519 3HD1 ILE 93 1HD1 ILE 93 6.261 3.519 -2.640
520 H LEU 94 H LEU 94 5.635 8.390 -0.397
521 HA LEU 94 HA LEU 94 3.347 7.971 -2.050
522 HG LEU 94 HG LEU 94 1.862 8.462 -0.379
523 1HD1 LEU 94 1HD1 LEU 94 4.199 8.818 1.323
524 2HD1 LEU 94 2HD1 LEU 94 2.674 8.792 2.209
525 3HD1 LEU 94 3HD1 LEU 94 3.107 7.441 1.160
526 1HD2 LEU 94 3HD2 LEU 94 2.143 11.208 0.766
527 2HD2 LEU 94 1HD2 LEU 94 0.800 10.501 -0.136
528 3HD2 LEU 94 2HD2 LEU 94 1.096 10.013 1.535
529 H ALA 95 H ALA 95 6.436 9.254 -2.675
530 HA ALA 95 HA ALA 95 5.914 11.207 -4.595
531 1HB ALA 95 1HB ALA 95 8.125 11.275 -4.323
532 2HB ALA 95 2HB ALA 95 8.198 9.592 -3.801
533 3HB ALA 95 3HB ALA 95 8.197 9.982 -5.520
534 H LEU 96 H LEU 96 5.840 7.731 -4.800
535 HA LEU 96 HA LEU 96 5.782 7.495 -7.627
536 HG LEU 96 HG LEU 96 7.203 6.052 -5.415
537 1HD1 LEU 96 3HD1 LEU 96 5.906 3.414 -5.879
538 2HD1 LEU 96 1HD1 LEU 96 7.660 3.494 -5.697
539 3HD1 LEU 96 2HD1 LEU 96 6.610 4.081 -4.405
540 1HD2 LEU 96 2HD2 LEU 96 6.841 5.270 -8.233
541 2HD2 LEU 96 3HD2 LEU 96 8.071 6.289 -7.484
542 3HD2 LEU 96 1HD2 LEU 96 8.207 4.532 -7.394
543 H GLY 97 H GLY 97 3.375 8.140 -5.199
544 1HA GLY 97 2HA GLY 97 0.981 8.163 -5.494
545 2HA GLY 97 1HA GLY 97 1.244 8.141 -7.235
546 H GLY 98 H GLY 98 2.869 10.045 -7.827
547 1HA GLY 98 2HA GLY 98 3.150 12.302 -8.101
548 2HA GLY 98 1HA GLY 98 3.043 12.347 -6.351
549 H LYS 99 H LYS 99 0.740 11.878 -9.036
550 HA LYS 99 HA LYS 99 -1.413 13.113 -7.714
551 1HZ LYS 99 2HZ LYS 99 -0.745 19.389 -9.059
552 2HZ LYS 99 1HZ LYS 99 -1.717 19.590 -7.683
553 3HZ LYS 99 3HZ LYS 99 -0.033 19.438 -7.520
554 H GLU 100 H GLU 100 0.074 12.910 -10.937
555 HA GLU 100 HA GLU 100 -1.950 11.186 -11.965
No H/Q in entry = 555
Start of MODEL 10
1 H1 GLY -2 2H GLY -2 12.223 -2.356 -14.253
2 H2 GLY -2 1H GLY -2 13.737 -1.800 -14.778
3 H3 GLY -2 3H GLY -2 13.634 -2.867 -13.462
4 1HA GLY -2 1HA GLY -2 13.948 -0.283 -13.137
5 2HA GLY -2 2HA GLY -2 13.045 -1.277 -11.999
6 H SER -1 H SER -1 10.684 -1.716 -13.260
7 HA SER -1 HA SER -1 9.629 0.824 -14.194
8 HG SER -1 HG SER -1 7.850 -2.291 -13.005
9 H VAL 1 H VAL 1 8.927 2.313 -12.830
10 HA VAL 1 HA VAL 1 8.549 3.325 -10.805
11 HB VAL 1 HB VAL 1 6.241 2.760 -9.919
12 1HG1 VAL 1 3HG1 VAL 1 7.032 3.835 -12.509
13 2HG1 VAL 1 1HG1 VAL 1 5.354 3.297 -12.459
14 3HG1 VAL 1 2HG1 VAL 1 5.932 4.488 -11.296
15 1HG2 VAL 1 2HG2 VAL 1 6.631 0.471 -11.620
16 2HG2 VAL 1 3HG2 VAL 1 5.333 0.806 -10.476
17 3HG2 VAL 1 1HG2 VAL 1 5.218 1.389 -12.136
18 H ASP 2 H ASP 2 10.467 1.821 -10.096
19 HA ASP 2 HA ASP 2 9.782 -0.186 -8.155
20 H PHE 3 H PHE 3 9.962 -0.112 -5.971
21 HA PHE 3 HA PHE 3 10.955 2.260 -4.660
22 HD1 PHE 3 1HD PHE 3 8.567 -0.537 -3.923
23 HD2 PHE 3 2HD PHE 3 6.382 2.936 -5.055
24 HE1 PHE 3 1HE PHE 3 6.549 -1.898 -4.184
25 HE2 PHE 3 2HE PHE 3 4.355 1.572 -5.325
26 HZ PHE 3 HZ PHE 3 4.434 -0.848 -4.884
27 H ALA 4 H ALA 4 11.791 -0.418 -4.848
28 HA ALA 4 HA ALA 4 10.975 -2.062 -2.739
29 1HB ALA 4 1HB ALA 4 13.097 -2.009 -4.710
30 2HB ALA 4 2HB ALA 4 13.646 -2.676 -3.174
31 3HB ALA 4 3HB ALA 4 12.255 -3.382 -3.995
32 H PHE 5 H PHE 5 13.740 0.163 -2.939
33 HA PHE 5 HA PHE 5 14.568 -0.208 -0.239
34 HD1 PHE 5 1HD PHE 5 16.546 0.304 0.793
35 HD2 PHE 5 2HD PHE 5 15.994 3.981 -1.276
36 HE1 PHE 5 1HE PHE 5 17.787 1.481 2.559
37 HE2 PHE 5 2HE PHE 5 17.235 5.165 0.487
38 HZ PHE 5 HZ PHE 5 18.096 3.920 2.429
39 H GLU 6 H GLU 6 12.463 2.040 -1.908
40 HA GLU 6 HA GLU 6 12.101 3.837 0.203
41 H LEU 7 H LEU 7 10.282 0.893 -0.663
42 HA LEU 7 HA LEU 7 8.339 1.208 1.397
43 HG LEU 7 HG LEU 7 7.644 0.219 -1.436
44 1HD1 LEU 7 2HD1 LEU 7 6.284 -2.136 -0.131
45 2HD1 LEU 7 3HD1 LEU 7 5.717 -1.316 -1.587
46 3HD1 LEU 7 1HD1 LEU 7 7.265 -2.162 -1.599
47 1HD2 LEU 7 3HD2 LEU 7 6.647 0.765 1.187
48 2HD2 LEU 7 1HD2 LEU 7 6.275 1.574 -0.333
49 3HD2 LEU 7 2HD2 LEU 7 5.333 0.173 0.172
50 H ARG 8 H ARG 8 11.339 -0.733 1.195
51 HA ARG 8 HA ARG 8 11.037 -1.877 3.740
52 HE ARG 8 HE ARG 8 16.686 -1.516 3.287
53 1HH1 ARG 8 2HH1 ARG 8 14.617 -4.272 2.698
54 2HH1 ARG 8 1HH1 ARG 8 14.778 -4.906 4.310
55 1HH2 ARG 8 2HH2 ARG 8 16.912 -2.337 5.405
56 2HH2 ARG 8 1HH2 ARG 8 16.090 -3.801 5.859
57 H LYS 9 H LYS 9 12.497 1.156 2.733
58 HA LYS 9 HA LYS 9 13.534 1.785 5.332
59 1HZ LYS 9 2HZ LYS 9 14.300 5.100 7.183
60 2HZ LYS 9 1HZ LYS 9 15.124 3.970 8.142
61 3HZ LYS 9 3HZ LYS 9 15.635 5.589 8.101
62 H ALA 10 H ALA 10 10.549 2.398 3.581
63 HA ALA 10 HA ALA 10 9.470 4.362 5.273
64 1HB ALA 10 1HB ALA 10 7.240 3.204 4.376
65 2HB ALA 10 2HB ALA 10 8.239 4.257 3.375
66 3HB ALA 10 3HB ALA 10 8.392 2.506 3.239
67 H GLN 11 H GLN 11 9.328 0.834 5.386
68 HA GLN 11 HA GLN 11 7.555 0.604 7.565
69 1HE2 GLN 11 1HE2 GLN 11 6.184 -3.702 6.359
70 2HE2 GLN 11 2HE2 GLN 11 4.987 -3.199 7.498
71 H ASP 12 H ASP 12 11.002 1.160 7.388
72 HA ASP 12 HA ASP 12 11.501 0.773 10.178
73 H THR 13 H THR 13 11.300 3.670 8.106
74 HA THR 13 HA THR 13 11.619 5.434 10.342
75 HB THR 13 HB THR 13 10.748 6.074 7.520
76 HG1 THR 13 1HG THR 13 13.296 5.895 8.783
77 1HG2 THR 13 2HG2 THR 13 10.927 7.696 9.853
78 2HG2 THR 13 1HG2 THR 13 12.231 8.158 8.756
79 3HG2 THR 13 3HG2 THR 13 10.559 8.188 8.199
80 H GLY 14 H GLY 14 8.893 4.847 8.112
81 1HA GLY 14 2HA GLY 14 6.695 5.696 8.368
82 2HA GLY 14 1HA GLY 14 7.090 6.144 10.022
83 H LYS 15 H LYS 15 5.146 4.231 8.398
84 HA LYS 15 HA LYS 15 5.611 1.663 9.453
85 1HZ LYS 15 2HZ LYS 15 7.485 -0.859 12.064
86 2HZ LYS 15 1HZ LYS 15 7.970 0.422 11.062
87 3HZ LYS 15 3HZ LYS 15 8.313 0.470 12.720
88 H ILE 16 H ILE 16 4.494 0.232 8.313
89 HA ILE 16 HA ILE 16 2.152 1.168 6.788
90 HB ILE 16 HB ILE 16 4.416 -0.613 5.863
91 1HG2 ILE 16 1HG2 ILE 16 2.023 -1.323 5.224
92 2HG2 ILE 16 2HG2 ILE 16 2.074 0.072 4.145
93 3HG2 ILE 16 3HG2 ILE 16 3.256 -1.224 3.967
94 1HD1 ILE 16 3HD1 ILE 16 6.203 0.961 5.478
95 2HD1 ILE 16 1HD1 ILE 16 5.849 2.615 4.979
96 3HD1 ILE 16 2HD1 ILE 16 5.360 2.054 6.576
97 H VAL 17 H VAL 17 0.374 -0.071 7.008
98 HA VAL 17 HA VAL 17 0.559 -2.514 8.572
99 HB VAL 17 HB VAL 17 -1.343 -0.827 8.816
100 1HG1 VAL 17 2HG1 VAL 17 -1.643 -0.978 6.168
101 2HG1 VAL 17 3HG1 VAL 17 -2.816 -2.199 6.662
102 3HG1 VAL 17 1HG1 VAL 17 -2.953 -0.549 7.265
103 1HG2 VAL 17 2HG2 VAL 17 -1.412 -3.733 8.796
104 2HG2 VAL 17 3HG2 VAL 17 -1.995 -2.592 10.009
105 3HG2 VAL 17 1HG2 VAL 17 -3.010 -3.004 8.626
106 H MET 18 H MET 18 0.575 -4.519 7.741
107 HA MET 18 HA MET 18 0.316 -4.732 4.818
108 1HE MET 18 3HE MET 18 3.611 -6.722 9.361
109 2HE MET 18 1HE MET 18 4.883 -7.882 8.977
110 3HE MET 18 2HE MET 18 5.265 -6.165 9.106
111 H GLY 19 H GLY 19 -1.091 -6.083 3.988
112 1HA GLY 19 2HA GLY 19 -2.863 -7.527 5.736
113 2HA GLY 19 1HA GLY 19 -1.875 -8.583 4.732
114 H ALA 20 H ALA 20 -4.789 -7.202 4.933
115 HA ALA 20 HA ALA 20 -5.127 -6.219 2.263
116 1HB ALA 20 1HB ALA 20 -6.101 -7.951 1.207
117 2HB ALA 20 3HB ALA 20 -6.895 -8.538 2.667
118 3HB ALA 20 2HB ALA 20 -5.199 -8.920 2.370
119 H ARG 21 H ARG 21 -7.006 -7.817 4.836
120 HA ARG 21 HA ARG 21 -9.207 -6.010 4.613
121 HE ARG 21 HE ARG 21 -10.421 -10.057 3.344
122 1HH1 ARG 21 2HH1 ARG 21 -7.739 -11.729 4.862
123 2HH1 ARG 21 1HH1 ARG 21 -7.752 -13.050 3.729
124 1HH2 ARG 21 2HH2 ARG 21 -10.423 -11.768 1.824
125 2HH2 ARG 21 1HH2 ARG 21 -9.272 -13.067 1.991
126 H LYS 22 H LYS 22 -6.293 -6.160 6.528
127 HA LYS 22 HA LYS 22 -6.884 -4.149 8.406
128 1HZ LYS 22 2HZ LYS 22 -6.451 -5.931 12.589
129 2HZ LYS 22 1HZ LYS 22 -6.681 -4.272 12.320
130 3HZ LYS 22 3HZ LYS 22 -7.987 -5.348 12.166
131 H SER 23 H SER 23 -5.511 -4.025 5.157
132 HA SER 23 HA SER 23 -5.056 -1.233 5.089
133 HG SER 23 HG SER 23 -5.422 -0.694 2.468
134 H ILE 24 H ILE 24 -7.808 -3.276 4.228
135 HA ILE 24 HA ILE 24 -9.405 -1.309 3.006
136 HB ILE 24 HB ILE 24 -10.317 -3.698 4.625
137 1HG2 ILE 24 1HG2 ILE 24 -11.925 -1.703 4.014
138 2HG2 ILE 24 2HG2 ILE 24 -11.931 -2.487 2.434
139 3HG2 ILE 24 3HG2 ILE 24 -12.456 -3.379 3.863
140 1HD1 ILE 24 2HD1 ILE 24 -10.909 -5.689 3.286
141 2HD1 ILE 24 3HD1 ILE 24 -11.648 -4.945 1.869
142 3HD1 ILE 24 1HD1 ILE 24 -10.183 -5.909 1.694
143 H GLN 25 H GLN 25 -9.192 -2.384 6.390
144 HA GLN 25 HA GLN 25 -11.168 -0.677 7.410
145 1HE2 GLN 25 1HE2 GLN 25 -9.093 -3.167 10.236
146 2HE2 GLN 25 2HE2 GLN 25 -9.147 -3.402 11.950
147 H TYR 26 H TYR 26 -7.685 -0.201 7.014
148 HA TYR 26 HA TYR 26 -7.521 2.303 8.280
149 HD1 TYR 26 1HD TYR 26 -6.603 -0.192 8.865
150 HD2 TYR 26 2HD TYR 26 -3.476 2.498 7.830
151 HE1 TYR 26 1HE TYR 26 -5.310 -0.951 10.816
152 HE2 TYR 26 2HE TYR 26 -2.178 1.751 9.775
153 HH TYR 26 HH TYR 26 -2.440 -0.869 11.273
154 H ALA 27 H ALA 27 -8.363 1.395 4.991
155 HA ALA 27 HA ALA 27 -8.480 4.039 3.933
156 1HB ALA 27 2HB ALA 27 -9.307 1.343 3.070
157 2HB ALA 27 3HB ALA 27 -10.210 2.686 2.372
158 3HB ALA 27 1HB ALA 27 -8.457 2.608 2.182
159 H LYS 28 H LYS 28 -10.832 1.864 5.402
160 HA LYS 28 HA LYS 28 -13.118 3.449 5.006
161 1HZ LYS 28 2HZ LYS 28 -14.561 -2.270 7.801
162 2HZ LYS 28 1HZ LYS 28 -16.198 -1.835 7.881
163 3HZ LYS 28 3HZ LYS 28 -15.592 -2.611 6.499
164 H MET 29 H MET 29 -10.982 3.147 7.838
165 HA MET 29 HA MET 29 -12.425 5.158 9.289
166 1HE MET 29 2HE MET 29 -6.665 3.584 9.907
167 2HE MET 29 3HE MET 29 -6.143 3.844 11.573
168 3HE MET 29 1HE MET 29 -6.380 2.205 10.971
169 H GLY 30 H GLY 30 -9.966 5.216 6.946
170 1HA GLY 30 2HA GLY 30 -9.813 8.069 6.993
171 2HA GLY 30 1HA GLY 30 -8.893 6.994 5.951
172 H GLY 31 H GLY 31 -7.546 5.472 7.809
173 1HA GLY 31 2HA GLY 31 -6.221 5.892 9.866
174 2HA GLY 31 1HA GLY 31 -5.918 7.500 9.222
175 H ALA 32 H ALA 32 -5.216 7.099 6.679
176 HA ALA 32 HA ALA 32 -2.607 5.903 6.939
177 1HB ALA 32 1HB ALA 32 -2.797 4.363 5.100
178 2HB ALA 32 3HB ALA 32 -4.465 4.851 4.806
179 3HB ALA 32 2HB ALA 32 -4.048 3.980 6.283
180 H LYS 33 H LYS 33 -1.153 6.848 5.565
181 HA LYS 33 HA LYS 33 -1.989 9.270 4.287
182 1HZ LYS 33 2HZ LYS 33 -0.378 13.580 4.639
183 2HZ LYS 33 1HZ LYS 33 0.975 14.254 3.870
184 3HZ LYS 33 3HZ LYS 33 -0.527 14.244 3.084
185 H LEU 34 H LEU 34 -0.547 6.225 3.138
186 HA LEU 34 HA LEU 34 -1.811 6.679 0.526
187 HG LEU 34 HG LEU 34 0.186 4.898 -1.080
188 1HD1 LEU 34 1HD1 LEU 34 -0.531 7.725 -1.806
189 2HD1 LEU 34 2HD1 LEU 34 -0.375 6.433 -2.995
190 3HD1 LEU 34 3HD1 LEU 34 -1.588 6.316 -1.722
191 1HD2 LEU 34 2HD2 LEU 34 2.540 5.868 -0.845
192 2HD2 LEU 34 3HD2 LEU 34 1.967 5.499 -2.471
193 3HD2 LEU 34 1HD2 LEU 34 1.974 7.167 -1.894
194 H ILE 35 H ILE 35 -2.569 4.823 -0.408
195 HA ILE 35 HA ILE 35 -1.885 2.304 0.966
196 HB ILE 35 HB ILE 35 -4.462 3.026 -0.439
197 1HG2 ILE 35 3HG2 ILE 35 -3.388 0.536 -0.317
198 2HG2 ILE 35 1HG2 ILE 35 -4.338 0.575 1.170
199 3HG2 ILE 35 2HG2 ILE 35 -5.117 0.878 -0.382
200 1HD1 ILE 35 1HD1 ILE 35 -6.172 1.826 1.654
201 2HD1 ILE 35 2HD1 ILE 35 -6.095 2.974 2.992
202 3HD1 ILE 35 3HD1 ILE 35 -6.433 3.545 1.359
203 H ILE 36 H ILE 36 -1.161 0.623 -0.237
204 HA ILE 36 HA ILE 36 -1.130 0.959 -3.171
205 HB ILE 36 HB ILE 36 1.077 -0.247 -1.485
206 1HG2 ILE 36 3HG2 ILE 36 0.460 -0.925 -4.026
207 2HG2 ILE 36 1HG2 ILE 36 1.558 0.426 -4.308
208 3HG2 ILE 36 2HG2 ILE 36 2.094 -0.962 -3.363
209 1HD1 ILE 36 3HD1 ILE 36 3.271 1.238 -2.941
210 2HD1 ILE 36 1HD1 ILE 36 3.189 2.806 -2.139
211 3HD1 ILE 36 2HD1 ILE 36 3.155 1.324 -1.182
212 H VAL 37 H VAL 37 -1.926 -0.723 -4.285
213 HA VAL 37 HA VAL 37 -2.335 -3.262 -2.835
214 HB VAL 37 HB VAL 37 -4.381 -3.601 -4.216
215 1HG1 VAL 37 3HG1 VAL 37 -4.098 -2.142 -1.921
216 2HG1 VAL 37 1HG1 VAL 37 -5.036 -1.056 -2.947
217 3HG1 VAL 37 2HG1 VAL 37 -5.632 -2.683 -2.607
218 1HG2 VAL 37 3HG2 VAL 37 -3.838 -0.762 -5.077
219 2HG2 VAL 37 1HG2 VAL 37 -3.935 -2.193 -6.105
220 3HG2 VAL 37 2HG2 VAL 37 -5.382 -1.587 -5.299
221 H ALA 38 H ALA 38 -1.663 -5.096 -3.833
222 HA ALA 38 HA ALA 38 -0.019 -4.875 -6.185
223 1HB ALA 38 1HB ALA 38 0.879 -6.678 -5.262
224 2HB ALA 38 2HB ALA 38 -0.443 -6.780 -4.101
225 3HB ALA 38 3HB ALA 38 -0.579 -7.586 -5.662
226 H ARG 39 H ARG 39 -0.569 -5.240 -8.276
227 HA ARG 39 HA ARG 39 -3.264 -5.429 -9.035
228 HE ARG 39 HE ARG 39 1.287 -8.602 -11.485
229 1HH1 ARG 39 2HH1 ARG 39 0.488 -5.799 -13.448
230 2HH1 ARG 39 1HH1 ARG 39 2.086 -5.664 -14.126
231 1HH2 ARG 39 2HH2 ARG 39 3.377 -8.431 -12.395
232 2HH2 ARG 39 1HH2 ARG 39 3.708 -7.176 -13.560
233 H ASN 40 H ASN 40 -0.897 -7.847 -8.364
234 HA ASN 40 HA ASN 40 -2.204 -10.062 -9.591
235 1HD2 ASN 40 1HD2 ASN 40 -0.314 -11.969 -6.323
236 2HD2 ASN 40 2HD2 ASN 40 -0.488 -13.493 -7.134
237 H ALA 41 H ALA 41 -2.615 -8.364 -6.603
238 HA ALA 41 HA ALA 41 -3.793 -10.374 -5.038
239 1HB ALA 41 1HB ALA 41 -3.498 -7.466 -4.902
240 2HB ALA 41 2HB ALA 41 -4.933 -8.089 -4.087
241 3HB ALA 41 3HB ALA 41 -3.335 -8.688 -3.640
242 H ARG 42 H ARG 42 -5.989 -10.610 -4.381
243 HA ARG 42 HA ARG 42 -7.811 -10.954 -6.459
244 HE ARG 42 HE ARG 42 -6.769 -12.990 -6.518
245 1HH1 ARG 42 2HH1 ARG 42 -9.811 -14.506 -7.425
246 2HH1 ARG 42 1HH1 ARG 42 -9.318 -14.787 -9.073
247 1HH2 ARG 42 2HH2 ARG 42 -6.118 -13.400 -8.668
248 2HH2 ARG 42 1HH2 ARG 42 -7.221 -14.169 -9.776
249 HA PRO 43 HA PRO 43 -9.224 -6.898 -7.444
250 H ASP 44 H ASP 44 -11.294 -9.022 -5.537
251 HA ASP 44 HA ASP 44 -13.193 -7.231 -4.637
252 H ILE 45 H ILE 45 -9.957 -7.825 -3.406
253 HA ILE 45 HA ILE 45 -10.204 -6.152 -1.111
254 HB ILE 45 HB ILE 45 -7.751 -7.175 -2.550
255 1HG2 ILE 45 1HG2 ILE 45 -7.701 -5.074 -0.891
256 2HG2 ILE 45 2HG2 ILE 45 -7.581 -6.384 0.286
257 3HG2 ILE 45 3HG2 ILE 45 -6.391 -6.250 -1.011
258 1HD1 ILE 45 1HD1 ILE 45 -9.692 -7.184 0.468
259 2HD1 ILE 45 2HD1 ILE 45 -10.279 -8.833 0.250
260 3HD1 ILE 45 3HD1 ILE 45 -8.798 -8.537 1.161
261 H LYS 46 H LYS 46 -8.643 -5.746 -4.281
262 HA LYS 46 HA LYS 46 -7.666 -3.171 -3.829
263 1HZ LYS 46 2HZ LYS 46 -5.070 -4.683 -9.443
264 2HZ LYS 46 1HZ LYS 46 -5.208 -6.375 -9.507
265 3HZ LYS 46 3HZ LYS 46 -6.388 -5.401 -10.228
266 H GLU 47 H GLU 47 -10.680 -4.186 -5.425
267 HA GLU 47 HA GLU 47 -11.496 -1.623 -6.198
268 H ASP 48 H ASP 48 -12.345 -3.505 -3.307
269 HA ASP 48 HA ASP 48 -14.146 -1.643 -2.239
270 H ILE 49 H ILE 49 -10.658 -2.026 -1.715
271 HA ILE 49 HA ILE 49 -10.385 -0.044 0.243
272 HB ILE 49 HB ILE 49 -8.394 -1.048 -1.787
273 1HG2 ILE 49 2HG2 ILE 49 -8.201 1.320 -0.318
274 2HG2 ILE 49 3HG2 ILE 49 -7.215 0.148 0.554
275 3HG2 ILE 49 1HG2 ILE 49 -6.899 0.471 -1.151
276 1HD1 ILE 49 3HD1 ILE 49 -6.454 -1.916 -0.392
277 2HD1 ILE 49 1HD1 ILE 49 -6.773 -2.557 1.220
278 3HD1 ILE 49 2HD1 ILE 49 -7.170 -3.518 -0.205
279 H GLU 50 H GLU 50 -10.060 0.211 -3.300
280 HA GLU 50 HA GLU 50 -9.432 2.947 -3.405
281 H TYR 51 H TYR 51 -12.517 1.279 -3.202
282 HA TYR 51 HA TYR 51 -14.181 3.495 -3.744
283 HD1 TYR 51 1HD TYR 51 -16.653 0.858 -0.939
284 HD2 TYR 51 2HD TYR 51 -16.452 3.580 -4.201
285 HE1 TYR 51 1HE TYR 51 -18.932 1.628 -0.429
286 HE2 TYR 51 2HE TYR 51 -18.727 4.361 -3.700
287 HH TYR 51 HH TYR 51 -20.592 3.972 -2.505
288 H TYR 52 H TYR 52 -13.218 1.985 -0.683
289 HA TYR 52 HA TYR 52 -14.514 3.896 0.951
290 HD1 TYR 52 1HD TYR 52 -15.764 2.833 2.648
291 HD2 TYR 52 2HD TYR 52 -13.131 -0.250 1.360
292 HE1 TYR 52 1HE TYR 52 -17.562 1.184 2.943
293 HE2 TYR 52 2HE TYR 52 -14.924 -1.907 1.649
294 HH TYR 52 HH TYR 52 -18.201 -0.927 2.608
295 H ALA 53 H ALA 53 -11.179 3.557 -0.152
296 HA ALA 53 HA ALA 53 -10.089 5.624 1.402
297 1HB ALA 53 1HB ALA 53 -9.047 3.719 -0.190
298 2HB ALA 53 2HB ALA 53 -8.834 5.142 -1.210
299 3HB ALA 53 3HB ALA 53 -8.142 5.108 0.410
300 H ARG 54 H ARG 54 -11.497 5.655 -1.862
301 HA ARG 54 HA ARG 54 -10.729 8.285 -2.493
302 HE ARG 54 HE ARG 54 -9.567 7.059 -5.062
303 1HH1 ARG 54 2HH1 ARG 54 -11.361 8.812 -7.507
304 2HH1 ARG 54 1HH1 ARG 54 -11.157 7.588 -8.718
305 1HH2 ARG 54 2HH2 ARG 54 -9.358 5.408 -6.635
306 2HH2 ARG 54 1HH2 ARG 54 -10.059 5.640 -8.217
307 H LEU 55 H LEU 55 -13.553 6.999 -0.829
308 HA LEU 55 HA LEU 55 -15.005 9.409 -0.648
309 HG LEU 55 HG LEU 55 -15.525 6.288 -1.066
310 1HD1 LEU 55 3HD1 LEU 55 -16.780 5.422 0.957
311 2HD1 LEU 55 1HD1 LEU 55 -18.128 6.431 0.428
312 3HD1 LEU 55 2HD1 LEU 55 -17.528 5.141 -0.616
313 1HD2 LEU 55 3HD2 LEU 55 -17.664 8.409 -1.029
314 2HD2 LEU 55 1HD2 LEU 55 -16.250 8.344 -2.081
315 3HD2 LEU 55 2HD2 LEU 55 -17.525 7.138 -2.243
316 H SER 56 H SER 56 -12.761 7.815 1.603
317 HA SER 56 HA SER 56 -13.000 9.827 3.605
318 HG SER 56 HG SER 56 -10.915 6.451 3.369
319 H GLY 57 H GLY 57 -10.597 9.142 1.096
320 1HA GLY 57 2HA GLY 57 -9.538 11.872 1.511
321 2HA GLY 57 1HA GLY 57 -9.794 11.179 -0.085
322 H ILE 58 H ILE 58 -8.831 8.567 0.553
323 HA ILE 58 HA ILE 58 -5.970 9.121 0.999
324 HB ILE 58 HB ILE 58 -7.402 6.480 1.331
325 1HG2 ILE 58 2HG2 ILE 58 -4.644 7.175 1.112
326 2HG2 ILE 58 3HG2 ILE 58 -4.960 6.562 2.734
327 3HG2 ILE 58 1HG2 ILE 58 -5.372 5.583 1.327
328 1HD1 ILE 58 1HD1 ILE 58 -6.739 5.653 3.662
329 2HD1 ILE 58 2HD1 ILE 58 -6.648 6.819 4.984
330 3HD1 ILE 58 3HD1 ILE 58 -8.218 6.338 4.341
331 HA PRO 59 HA PRO 59 -5.624 7.977 -3.320
332 H VAL 60 H VAL 60 -5.406 6.034 -4.270
333 HA VAL 60 HA VAL 60 -3.830 3.988 -2.851
334 HB VAL 60 HB VAL 60 -6.276 3.517 -4.568
335 1HG1 VAL 60 1HG1 VAL 60 -4.373 1.754 -4.419
336 2HG1 VAL 60 2HG1 VAL 60 -5.004 1.473 -2.795
337 3HG1 VAL 60 3HG1 VAL 60 -6.047 1.245 -4.198
338 1HG2 VAL 60 2HG2 VAL 60 -6.355 4.511 -2.077
339 2HG2 VAL 60 3HG2 VAL 60 -7.576 3.415 -2.724
340 3HG2 VAL 60 1HG2 VAL 60 -6.276 2.788 -1.710
341 H TYR 61 H TYR 61 -2.225 3.086 -3.950
342 HA TYR 61 HA TYR 61 -1.951 3.767 -6.792
343 HD1 TYR 61 1HD TYR 61 -0.314 4.440 -8.153
344 HD2 TYR 61 2HD TYR 61 2.127 2.031 -5.634
345 HE1 TYR 61 1HE TYR 61 1.240 4.078 -10.021
346 HE2 TYR 61 2HE TYR 61 3.691 1.665 -7.500
347 HH TYR 61 HH TYR 61 4.213 3.196 -9.786
348 H GLU 62 H GLU 62 -2.008 2.221 -8.305
349 HA GLU 62 HA GLU 62 -2.442 -0.533 -7.520
350 H PHE 63 H PHE 63 -0.747 -1.683 -6.923
351 HA PHE 63 HA PHE 63 1.933 -1.104 -7.770
352 HD1 PHE 63 1HD PHE 63 3.909 -1.540 -6.960
353 HD2 PHE 63 2HD PHE 63 2.185 -5.264 -5.833
354 HE1 PHE 63 1HE PHE 63 6.140 -2.578 -6.982
355 HE2 PHE 63 2HE PHE 63 4.412 -6.303 -5.853
356 HZ PHE 63 HZ PHE 63 6.409 -4.919 -6.346
357 H GLU 64 H GLU 64 2.550 -1.544 -9.775
358 HA GLU 64 HA GLU 64 1.272 -3.534 -11.386
359 H GLY 65 H GLY 65 1.941 -4.986 -9.384
360 1HA GLY 65 2HA GLY 65 4.379 -6.032 -8.893
361 2HA GLY 65 1HA GLY 65 3.929 -6.809 -10.404
362 H THR 66 H THR 66 4.336 -8.502 -8.516
363 HA THR 66 HA THR 66 1.684 -9.536 -7.962
364 HB THR 66 HB THR 66 3.111 -11.132 -8.974
365 HG1 THR 66 1HG THR 66 2.586 -12.690 -7.621
366 1HG2 THR 66 2HG2 THR 66 5.151 -9.911 -7.358
367 2HG2 THR 66 1HG2 THR 66 5.165 -11.660 -7.139
368 3HG2 THR 66 3HG2 THR 66 5.318 -10.973 -8.754
369 H SER 67 H SER 67 0.969 -10.253 -5.992
370 HA SER 67 HA SER 67 1.556 -8.653 -3.757
371 HG SER 67 HG SER 67 -1.021 -11.726 -4.264
372 H VAL 68 H VAL 68 2.778 -11.722 -4.867
373 HA VAL 68 HA VAL 68 3.854 -12.681 -2.428
374 HB VAL 68 HB VAL 68 5.023 -13.175 -5.167
375 1HG1 VAL 68 1HG1 VAL 68 6.059 -13.949 -2.870
376 2HG1 VAL 68 2HG1 VAL 68 4.858 -15.230 -3.028
377 3HG1 VAL 68 3HG1 VAL 68 6.070 -14.998 -4.286
378 1HG2 VAL 68 2HG2 VAL 68 2.521 -13.514 -5.062
379 2HG2 VAL 68 3HG2 VAL 68 3.477 -14.913 -5.550
380 3HG2 VAL 68 1HG2 VAL 68 2.838 -14.810 -3.909
381 H GLU 69 H GLU 69 5.324 -10.931 -5.137
382 HA GLU 69 HA GLU 69 7.850 -10.534 -3.948
383 H LEU 70 H LEU 70 4.917 -8.573 -4.060
384 HA LEU 70 HA LEU 70 5.919 -6.277 -2.805
385 HG LEU 70 HG LEU 70 3.505 -5.512 -1.094
386 1HD1 LEU 70 2HD1 LEU 70 4.521 -4.296 -3.601
387 2HD1 LEU 70 3HD1 LEU 70 3.622 -3.266 -2.487
388 3HD1 LEU 70 1HD1 LEU 70 5.077 -4.099 -1.939
389 1HD2 LEU 70 2HD2 LEU 70 1.710 -5.003 -3.461
390 2HD2 LEU 70 3HD2 LEU 70 1.299 -5.911 -2.007
391 3HD2 LEU 70 1HD2 LEU 70 1.601 -4.177 -1.908
392 H GLY 71 H GLY 71 4.449 -9.208 -1.477
393 1HA GLY 71 2HA GLY 71 4.392 -10.063 0.643
394 2HA GLY 71 1HA GLY 71 4.407 -8.402 1.215
395 H THR 72 H THR 72 6.787 -10.464 -0.474
396 HA THR 72 HA THR 72 8.456 -10.737 1.775
397 HB THR 72 HB THR 72 8.534 -12.236 -0.197
398 HG1 THR 72 1HG THR 72 11.145 -11.224 0.077
399 1HG2 THR 72 2HG2 THR 72 8.465 -10.576 -1.983
400 2HG2 THR 72 1HG2 THR 72 10.057 -9.986 -1.503
401 3HG2 THR 72 3HG2 THR 72 9.877 -11.622 -2.143
402 H LEU 73 H LEU 73 8.359 -8.363 -0.797
403 HA LEU 73 HA LEU 73 10.780 -7.040 -0.194
404 HG LEU 73 HG LEU 73 9.575 -4.105 -0.769
405 1HD1 LEU 73 1HD1 LEU 73 11.746 -5.467 -0.816
406 2HD1 LEU 73 2HD1 LEU 73 11.797 -5.070 -2.533
407 3HD1 LEU 73 3HD1 LEU 73 11.813 -3.782 -1.329
408 1HD2 LEU 73 3HD2 LEU 73 8.461 -4.488 -3.159
409 2HD2 LEU 73 1HD2 LEU 73 9.310 -3.001 -2.738
410 3HD2 LEU 73 2HD2 LEU 73 10.129 -4.250 -3.676
411 H LEU 74 H LEU 74 7.437 -6.442 0.827
412 HA LEU 74 HA LEU 74 7.976 -4.135 2.339
413 HG LEU 74 HG LEU 74 5.944 -3.953 4.298
414 1HD1 LEU 74 2HD1 LEU 74 6.689 -2.593 2.324
415 2HD1 LEU 74 3HD1 LEU 74 5.024 -2.666 1.748
416 3HD1 LEU 74 1HD1 LEU 74 5.391 -1.887 3.288
417 1HD2 LEU 74 3HD2 LEU 74 3.856 -5.304 3.914
418 2HD2 LEU 74 1HD2 LEU 74 3.602 -3.601 4.293
419 3HD2 LEU 74 2HD2 LEU 74 3.453 -4.165 2.630
420 H GLY 75 H GLY 75 7.800 -7.552 3.224
421 1HA GLY 75 2HA GLY 75 8.929 -6.862 5.867
422 2HA GLY 75 1HA GLY 75 9.644 -8.128 4.876
423 H ARG 76 H ARG 76 7.442 -9.411 3.911
424 HA ARG 76 HA ARG 76 6.383 -10.697 6.309
425 HE ARG 76 HE ARG 76 1.606 -11.646 6.619
426 1HH1 ARG 76 2HH1 ARG 76 3.766 -11.560 9.381
427 2HH1 ARG 76 1HH1 ARG 76 2.591 -12.229 10.477
428 1HH2 ARG 76 2HH2 ARG 76 0.073 -12.541 8.053
429 2HH2 ARG 76 1HH2 ARG 76 0.493 -12.781 9.726
430 HA PRO 77 HA PRO 77 7.246 -14.057 3.436
431 H HIS 78 H HIS 78 4.731 -12.813 3.359
432 HA HIS 78 HA HIS 78 3.037 -15.023 2.606
433 HD1 HIS 78 1HD HIS 78 1.586 -16.718 3.723
434 HD2 HIS 78 2HD HIS 78 2.789 -14.596 7.092
435 HE1 HIS 78 1HE HIS 78 1.855 -18.434 5.545
436 HE2 HIS 78 2HE HIS 78 2.642 -17.142 7.561
437 H THR 79 H THR 79 1.478 -14.387 1.097
438 HA THR 79 HA THR 79 2.246 -12.234 -0.530
439 HB THR 79 HB THR 79 0.114 -12.710 -1.775
440 HG1 THR 79 1HG THR 79 -0.755 -13.617 0.443
441 1HG2 THR 79 3HG2 THR 79 2.424 -14.107 -1.723
442 2HG2 THR 79 2HG2 THR 79 1.275 -15.382 -1.316
443 3HG2 THR 79 1HG2 THR 79 1.086 -14.471 -2.813
444 H VAL 80 H VAL 80 2.089 -10.168 0.172
445 HA VAL 80 HA VAL 80 -0.190 -9.251 1.698
446 HB VAL 80 HB VAL 80 2.151 -7.740 0.507
447 1HG1 VAL 80 1HG1 VAL 80 -0.185 -6.771 2.127
448 2HG1 VAL 80 2HG1 VAL 80 1.354 -5.912 2.106
449 3HG1 VAL 80 3HG1 VAL 80 0.445 -6.134 0.611
450 1HG2 VAL 80 2HG2 VAL 80 2.607 -9.313 2.411
451 2HG2 VAL 80 3HG2 VAL 80 3.031 -7.627 2.711
452 3HG2 VAL 80 1HG2 VAL 80 1.557 -8.304 3.404
453 H SER 81 H SER 81 -2.055 -8.740 0.775
454 HA SER 81 HA SER 81 -2.252 -8.428 -2.080
455 HG SER 81 HG SER 81 -4.129 -10.389 -1.597
456 H ALA 82 H ALA 82 -2.496 -6.408 0.778
457 HA ALA 82 HA ALA 82 -2.125 -4.025 -0.834
458 1HB ALA 82 1HB ALA 82 -4.613 -4.543 0.777
459 2HB ALA 82 3HB ALA 82 -4.489 -4.155 -0.940
460 3HB ALA 82 2HB ALA 82 -4.107 -2.929 0.270
461 H LEU 83 H LEU 83 -1.200 -2.364 0.295
462 HA LEU 83 HA LEU 83 -0.799 -2.777 3.176
463 HG LEU 83 HG LEU 83 0.851 -1.787 0.060
464 1HD1 LEU 83 2HD1 LEU 83 1.413 0.096 1.765
465 2HD1 LEU 83 3HD1 LEU 83 3.081 -0.409 1.493
466 3HD1 LEU 83 1HD1 LEU 83 2.097 0.152 0.141
467 1HD2 LEU 83 2HD2 LEU 83 2.928 -3.491 0.990
468 2HD2 LEU 83 3HD2 LEU 83 2.512 -3.052 -0.666
469 3HD2 LEU 83 1HD2 LEU 83 3.653 -2.064 0.247
470 H ALA 84 H ALA 84 -0.836 -0.959 4.429
471 HA ALA 84 HA ALA 84 -1.504 1.534 3.000
472 1HB ALA 84 1HB ALA 84 -2.424 0.723 5.757
473 2HB ALA 84 3HB ALA 84 -3.386 0.577 4.284
474 3HB ALA 84 2HB ALA 84 -2.898 2.169 4.863
475 H VAL 85 H VAL 85 0.090 2.906 3.053
476 HA VAL 85 HA VAL 85 2.125 2.902 5.106
477 HB VAL 85 HB VAL 85 1.677 4.951 2.925
478 1HG1 VAL 85 3HG1 VAL 85 3.202 5.478 4.881
479 2HG1 VAL 85 1HG1 VAL 85 4.264 4.213 4.261
480 3HG1 VAL 85 2HG1 VAL 85 3.904 5.628 3.271
481 1HG2 VAL 85 3HG2 VAL 85 1.958 2.485 2.195
482 2HG2 VAL 85 1HG2 VAL 85 2.948 3.725 1.426
483 3HG2 VAL 85 2HG2 VAL 85 3.638 2.704 2.688
484 H VAL 86 H VAL 86 1.508 3.657 7.045
485 HA VAL 86 HA VAL 86 -0.519 5.671 7.341
486 HB VAL 86 HB VAL 86 1.393 4.605 9.428
487 1HG1 VAL 86 3HG1 VAL 86 -0.647 6.633 9.488
488 2HG1 VAL 86 1HG1 VAL 86 -1.067 5.302 10.569
489 3HG1 VAL 86 2HG1 VAL 86 0.477 6.136 10.754
490 1HG2 VAL 86 2HG2 VAL 86 -0.806 3.339 8.082
491 2HG2 VAL 86 3HG2 VAL 86 0.296 2.678 9.291
492 3HG2 VAL 86 1HG2 VAL 86 -1.167 3.524 9.799
493 H ASP 87 H ASP 87 2.969 5.501 7.899
494 HA ASP 87 HA ASP 87 3.112 8.401 7.466
495 HA PRO 88 HA PRO 88 5.892 6.839 4.370
496 H GLY 89 H GLY 89 6.763 9.560 6.468
497 1HA GLY 89 2HA GLY 89 9.271 8.426 7.182
498 2HA GLY 89 1HA GLY 89 8.724 10.055 7.552
499 H GLU 90 H GLU 90 11.196 8.583 6.258
500 HA GLU 90 HA GLU 90 12.038 10.834 4.725
501 H SER 91 H SER 91 10.839 7.630 3.974
502 HA SER 91 HA SER 91 11.613 7.447 1.320
503 HG SER 91 HG SER 91 10.761 4.437 2.639
504 H ARG 92 H ARG 92 10.905 8.202 -0.544
505 HA ARG 92 HA ARG 92 8.840 10.252 -0.566
506 HE ARG 92 HE ARG 92 13.910 11.178 -1.116
507 1HH1 ARG 92 2HH1 ARG 92 14.298 9.673 -4.254
508 2HH1 ARG 92 1HH1 ARG 92 16.031 9.758 -4.231
509 1HH2 ARG 92 2HH2 ARG 92 16.192 11.276 -1.069
510 2HH2 ARG 92 1HH2 ARG 92 17.114 10.650 -2.405
511 H ILE 93 H ILE 93 7.859 7.682 -0.036
512 HA ILE 93 HA ILE 93 7.076 6.194 -2.252
513 HB ILE 93 HB ILE 93 7.026 5.351 0.066
514 1HG2 ILE 93 1HG2 ILE 93 6.067 7.354 1.114
515 2HG2 ILE 93 2HG2 ILE 93 4.508 6.972 0.380
516 3HG2 ILE 93 3HG2 ILE 93 5.217 5.877 1.570
517 1HD1 ILE 93 3HD1 ILE 93 6.996 3.740 -1.666
518 2HD1 ILE 93 1HD1 ILE 93 5.506 2.817 -1.880
519 3HD1 ILE 93 2HD1 ILE 93 5.834 4.212 -2.908
520 H LEU 94 H LEU 94 5.681 9.069 -0.894
521 HA LEU 94 HA LEU 94 3.087 8.897 -1.975
522 HG LEU 94 HG LEU 94 4.374 9.976 0.675
523 1HD1 LEU 94 1HD1 LEU 94 3.190 12.635 0.274
524 2HD1 LEU 94 2HD1 LEU 94 2.673 11.787 1.734
525 3HD1 LEU 94 3HD1 LEU 94 4.388 12.086 1.446
526 1HD2 LEU 94 1HD2 LEU 94 2.181 9.011 -0.387
527 2HD2 LEU 94 2HD2 LEU 94 2.338 9.164 1.362
528 3HD2 LEU 94 3HD2 LEU 94 1.428 10.367 0.449
529 H ALA 95 H ALA 95 6.117 9.564 -3.450
530 HA ALA 95 HA ALA 95 5.367 11.178 -5.603
531 1HB ALA 95 2HB ALA 95 7.493 10.942 -6.221
532 2HB ALA 95 1HB ALA 95 7.364 9.186 -6.307
533 3HB ALA 95 3HB ALA 95 7.690 9.972 -4.762
534 H LEU 96 H LEU 96 5.209 7.658 -5.226
535 HA LEU 96 HA LEU 96 4.254 7.316 -7.939
536 HG LEU 96 HG LEU 96 6.440 6.112 -7.772
537 1HD1 LEU 96 2HD1 LEU 96 6.499 5.230 -4.906
538 2HD1 LEU 96 3HD1 LEU 96 7.960 5.299 -5.891
539 3HD1 LEU 96 1HD1 LEU 96 7.022 6.763 -5.603
540 1HD2 LEU 96 3HD2 LEU 96 5.519 3.409 -7.424
541 2HD2 LEU 96 1HD2 LEU 96 6.698 4.058 -8.562
542 3HD2 LEU 96 2HD2 LEU 96 7.210 3.564 -6.948
543 H GLY 97 H GLY 97 2.970 7.563 -4.721
544 1HA GLY 97 2HA GLY 97 0.763 7.031 -3.992
545 2HA GLY 97 1HA GLY 97 0.279 6.880 -5.675
546 H GLY 98 H GLY 98 1.222 9.242 -6.730
547 1HA GLY 98 2HA GLY 98 0.526 11.504 -5.171
548 2HA GLY 98 1HA GLY 98 -0.825 11.031 -6.190
549 H LYS 99 H LYS 99 -0.918 12.435 -7.783
550 HA LYS 99 HA LYS 99 -0.398 13.629 -9.633
551 1HZ LYS 99 3HZ LYS 99 1.017 17.493 -5.529
552 2HZ LYS 99 2HZ LYS 99 0.334 17.988 -7.005
553 3HZ LYS 99 1HZ LYS 99 -0.429 18.379 -5.542
554 H GLU 100 H GLU 100 -0.411 11.162 -10.308
555 HA GLU 100 HA GLU 100 1.676 10.907 -12.289
No H/Q in entry = 555