Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
526820 | 2l8e RC | 17396 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -19.511 5.052 7.909
2 H2 GLY 1 HT2 GLY 1 -18.909 3.760 6.991
3 H3 GLY 1 HT3 GLY 1 -20.417 4.429 6.618
4 HA2 GLY 1 HA1 GLY 1 -19.321 6.547 6.076
5 HA3 GLY 1 HA2 GLY 1 -17.779 5.749 6.344
6 H THR 2 HN THR 2 -17.834 6.740 3.980
7 HA THR 2 HA THR 2 -19.094 4.915 2.092
8 HB THR 2 HB THR 2 -18.096 6.603 0.411
9 HG1 THR 2 HG1 THR 2 -18.088 8.724 1.873
10 HG21 THR 2 HG21 THR 2 -20.200 7.521 2.376
11 HG22 THR 2 HG22 THR 2 -20.483 6.447 1.007
12 HG23 THR 2 HG23 THR 2 -19.981 8.115 0.728
13 H ARG 3 HN ARG 3 -16.873 3.929 3.645
14 HA ARG 3 HA ARG 3 -14.871 3.547 1.531
15 HB2 ARG 3 HB2 ARG 3 -14.644 3.167 4.521
16 HB3 ARG 3 HB1 ARG 3 -13.376 2.766 3.372
17 HG2 ARG 3 HG2 ARG 3 -13.218 5.103 2.704
18 HG3 ARG 3 HG1 ARG 3 -14.520 5.515 3.821
19 HD2 ARG 3 HD2 ARG 3 -12.348 6.042 4.785
20 HD3 ARG 3 HD1 ARG 3 -13.154 4.768 5.700
21 HE ARG 3 HE ARG 3 -11.479 3.576 3.778
22 HH11 ARG 3 HH11 ARG 3 -11.249 5.476 6.718
23 HH12 ARG 3 HH12 ARG 3 -9.728 4.787 7.190
24 HH21 ARG 3 HH21 ARG 3 -9.494 2.687 4.382
25 HH22 ARG 3 HH22 ARG 3 -8.725 3.192 5.864
26 H GLY 783 HN GLY 783 -15.392 1.813 0.379
27 HA2 GLY 783 HA2 GLY 783 -15.315 -0.543 0.128
28 HA3 GLY 783 HA1 GLY 783 -15.762 -0.715 1.819
29 H VAL 784 HN VAL 784 -17.456 1.424 -0.387
30 HA VAL 784 HA VAL 784 -19.919 -0.004 0.140
31 HB VAL 784 HB VAL 784 -19.469 2.430 -1.601
32 HG11 VAL 784 HG11 VAL 784 -21.514 1.274 -2.201
33 HG12 VAL 784 HG12 VAL 784 -21.896 2.771 -1.349
34 HG13 VAL 784 HG13 VAL 784 -22.011 1.226 -0.508
35 HG21 VAL 784 HG21 VAL 784 -18.859 2.888 0.700
36 HG22 VAL 784 HG22 VAL 784 -20.388 2.215 1.263
37 HG23 VAL 784 HG23 VAL 784 -20.378 3.696 0.305
38 H ASP 785 HN ASP 785 -18.522 1.197 -2.913
39 HA ASP 785 HA ASP 785 -19.772 -1.011 -4.347
40 HB2 ASP 785 HB2 ASP 785 -19.010 0.151 -6.382
41 HB3 ASP 785 HB1 ASP 785 -19.916 1.232 -5.330
42 H SER 786 HN SER 786 -17.937 -2.015 -2.645
43 HA SER 786 HA SER 786 -15.535 -2.475 -4.295
44 HB2 SER 786 HB2 SER 786 -15.595 -2.416 -1.280
45 HB3 SER 786 HB1 SER 786 -14.181 -2.389 -2.338
46 HG SER 786 HG SER 786 -15.990 -0.364 -2.786
47 HA PRO 787 HA PRO 787 -16.551 -6.833 -3.582
48 HB2 PRO 787 HB2 PRO 787 -14.263 -7.252 -5.355
49 HB3 PRO 787 HB1 PRO 787 -15.945 -7.731 -5.585
50 HG2 PRO 787 HG2 PRO 787 -14.760 -5.787 -7.054
51 HG3 PRO 787 HG1 PRO 787 -16.489 -5.780 -6.666
52 HD2 PRO 787 HD2 PRO 787 -14.258 -4.230 -5.418
53 HD3 PRO 787 HD1 PRO 787 -15.914 -3.714 -5.806
54 H SER 788 HN SER 788 -13.353 -5.360 -3.874
55 HA SER 788 HA SER 788 -12.244 -7.043 -1.796
56 HB2 SER 788 HB2 SER 788 -11.012 -4.649 -3.196
57 HB3 SER 788 HB1 SER 788 -10.160 -5.862 -2.240
58 HG SER 788 HG SER 788 -10.548 -7.375 -3.801
59 H ALA 789 HN ALA 789 -14.333 -5.879 -0.678
60 HA ALA 789 HA ALA 789 -14.063 -3.284 0.351
61 HB1 ALA 789 HB1 ALA 789 -15.780 -3.909 1.940
62 HB2 ALA 789 HB2 ALA 789 -15.501 -5.619 1.609
63 HB3 ALA 789 HB3 ALA 789 -16.164 -4.573 0.352
64 H GLU 790 HN GLU 790 -12.866 -6.372 1.482
65 HA GLU 790 HA GLU 790 -12.015 -5.659 4.040
66 HB2 GLU 790 HB2 GLU 790 -10.831 -7.632 2.090
67 HB3 GLU 790 HB1 GLU 790 -10.385 -7.520 3.788
68 HG2 GLU 790 HG2 GLU 790 -12.714 -8.033 4.403
69 HG3 GLU 790 HG1 GLU 790 -13.103 -8.205 2.689
70 H LEU 791 HN LEU 791 -10.499 -5.232 0.905
71 HA LEU 791 HA LEU 791 -8.139 -4.110 2.169
72 HB2 LEU 791 HB2 LEU 791 -8.769 -4.607 -0.742
73 HB3 LEU 791 HB1 LEU 791 -7.247 -3.973 -0.143
74 HG LEU 791 HG LEU 791 -8.374 -6.714 0.440
75 HD11 LEU 791 HD11 LEU 791 -6.026 -5.849 -1.241
76 HD12 LEU 791 HD12 LEU 791 -7.555 -6.492 -1.840
77 HD13 LEU 791 HD13 LEU 791 -6.483 -7.515 -0.883
78 HD21 LEU 791 HD21 LEU 791 -6.261 -7.151 1.565
79 HD22 LEU 791 HD22 LEU 791 -7.108 -5.808 2.335
80 HD23 LEU 791 HD23 LEU 791 -5.742 -5.493 1.265
81 H ASP 792 HN ASP 792 -10.929 -2.988 1.983
82 HA ASP 792 HA ASP 792 -11.935 -0.964 1.943
83 HB2 ASP 792 HB2 ASP 792 -9.833 -0.573 3.381
84 HB3 ASP 792 HB1 ASP 792 -9.198 0.286 1.983
85 H LYS 793 HN LYS 793 -11.556 -2.121 -0.574
86 HA LYS 793 HA LYS 793 -12.079 -1.565 -2.731
87 HB2 LYS 793 HB2 LYS 793 -13.353 0.318 -1.948
88 HB3 LYS 793 HB1 LYS 793 -11.892 1.245 -1.648
89 HG2 LYS 793 HG2 LYS 793 -12.820 2.141 -3.601
90 HG3 LYS 793 HG1 LYS 793 -11.471 1.145 -4.138
91 HD2 LYS 793 HD2 LYS 793 -13.032 -0.661 -4.697
92 HD3 LYS 793 HD1 LYS 793 -14.382 0.349 -4.168
93 HE2 LYS 793 HE2 LYS 793 -13.688 2.037 -5.871
94 HE3 LYS 793 HE1 LYS 793 -12.496 0.882 -6.461
95 HZ1 LYS 793 HZ1 LYS 793 -14.363 -0.671 -6.885
96 HZ2 LYS 793 HZ2 LYS 793 -14.430 0.747 -7.813
97 HZ3 LYS 793 HZ3 LYS 793 -15.451 0.569 -6.470
98 H LYS 794 HN LYS 794 -9.292 -0.445 -1.153
99 HA LYS 794 HA LYS 794 -7.273 0.360 -1.731
100 HB2 LYS 794 HB2 LYS 794 -7.660 -1.090 -4.359
101 HB3 LYS 794 HB1 LYS 794 -6.138 -0.572 -3.645
102 HG2 LYS 794 HG2 LYS 794 -5.969 -2.624 -2.820
103 HG3 LYS 794 HG1 LYS 794 -7.249 -2.171 -1.692
104 HD2 LYS 794 HD2 LYS 794 -7.831 -4.249 -2.774
105 HD3 LYS 794 HD1 LYS 794 -8.921 -2.978 -3.327
106 HE2 LYS 794 HE2 LYS 794 -8.249 -4.326 -5.209
107 HE3 LYS 794 HE1 LYS 794 -7.537 -2.719 -5.355
108 HZ1 LYS 794 HZ1 LYS 794 -5.460 -3.661 -4.409
109 HZ2 LYS 794 HZ2 LYS 794 -5.890 -4.333 -5.901
110 HZ3 LYS 794 HZ3 LYS 794 -6.165 -5.205 -4.472
111 H ALA 795 HN ALA 795 -9.308 2.079 -2.010
112 HA ALA 795 HA ALA 795 -9.257 3.485 -4.490
113 HB1 ALA 795 HB1 ALA 795 -10.461 5.214 -3.275
114 HB2 ALA 795 HB2 ALA 795 -10.092 4.399 -1.755
115 HB3 ALA 795 HB3 ALA 795 -11.136 3.619 -2.944
116 H ASN 796 HN ASN 796 -8.093 4.349 -1.313
117 HA ASN 796 HA ASN 796 -6.470 6.487 -2.313
118 HB2 ASN 796 HB2 ASN 796 -5.738 6.558 0.173
119 HB3 ASN 796 HB1 ASN 796 -7.386 6.996 -0.245
120 HD21 ASN 796 HD21 ASN 796 -6.104 3.706 -0.041
121 HD22 ASN 796 HD22 ASN 796 -7.088 3.225 1.299
122 H LEU 797 HN LEU 797 -5.127 5.189 -3.735
123 HA LEU 797 HA LEU 797 -3.158 3.525 -2.400
124 HB2 LEU 797 HB2 LEU 797 -3.548 3.969 -5.346
125 HB3 LEU 797 HB1 LEU 797 -2.563 2.736 -4.584
126 HG LEU 797 HG LEU 797 -5.554 2.905 -4.724
127 HD11 LEU 797 HD11 LEU 797 -4.445 1.847 -6.596
128 HD12 LEU 797 HD12 LEU 797 -5.318 0.646 -5.645
129 HD13 LEU 797 HD13 LEU 797 -3.566 0.781 -5.500
130 HD21 LEU 797 HD21 LEU 797 -5.645 0.950 -3.254
131 HD22 LEU 797 HD22 LEU 797 -5.039 2.384 -2.428
132 HD23 LEU 797 HD23 LEU 797 -3.917 1.118 -2.937
133 H LEU 798 HN LEU 798 -1.066 3.793 -2.577
134 HA LEU 798 HA LEU 798 0.155 5.826 -4.283
135 HB2 LEU 798 HB2 LEU 798 1.433 6.821 -2.607
136 HB3 LEU 798 HB1 LEU 798 -0.125 6.671 -1.817
137 HG LEU 798 HG LEU 798 1.135 4.301 -1.173
138 HD11 LEU 798 HD11 LEU 798 3.339 4.887 -0.406
139 HD12 LEU 798 HD12 LEU 798 3.127 6.550 -0.957
140 HD13 LEU 798 HD13 LEU 798 3.209 5.237 -2.132
141 HD21 LEU 798 HD21 LEU 798 1.292 5.269 1.052
142 HD22 LEU 798 HD22 LEU 798 -0.238 5.691 0.284
143 HD23 LEU 798 HD23 LEU 798 1.061 6.881 0.375
144 H LYS 799 HN LYS 799 2.770 5.163 -3.978
145 HA LYS 799 HA LYS 799 2.683 2.304 -3.688
146 HB2 LYS 799 HB2 LYS 799 3.274 1.732 -5.908
147 HB3 LYS 799 HB1 LYS 799 2.036 2.969 -6.065
148 HG2 LYS 799 HG2 LYS 799 4.999 3.456 -6.314
149 HG3 LYS 799 HG1 LYS 799 3.889 3.243 -7.665
150 HD2 LYS 799 HD2 LYS 799 2.634 5.226 -6.911
151 HD3 LYS 799 HD1 LYS 799 3.799 5.447 -5.605
152 HE2 LYS 799 HE2 LYS 799 4.422 5.517 -8.559
153 HE3 LYS 799 HE1 LYS 799 4.271 6.922 -7.509
154 HZ1 LYS 799 HZ1 LYS 799 6.325 4.782 -7.291
155 HZ2 LYS 799 HZ2 LYS 799 6.160 6.074 -6.205
156 HZ3 LYS 799 HZ3 LYS 799 6.580 6.368 -7.820
157 H CYS 800 HN CYS 800 4.478 1.223 -3.505
158 HA CYS 800 HA CYS 800 6.547 2.140 -2.026
159 HB2 CYS 800 HB2 CYS 800 5.808 -0.167 -2.360
160 HB3 CYS 800 HB1 CYS 800 6.365 -0.125 -4.019
161 H GLU 801 HN GLU 801 7.899 3.792 -2.597
162 HA GLU 801 HA GLU 801 8.756 4.412 -5.195
163 HB2 GLU 801 HB2 GLU 801 10.043 5.026 -2.536
164 HB3 GLU 801 HB1 GLU 801 10.493 5.772 -4.062
165 HG2 GLU 801 HG2 GLU 801 7.788 5.962 -2.753
166 HG3 GLU 801 HG1 GLU 801 9.038 7.205 -2.719
167 H TYR 802 HN TYR 802 9.352 1.566 -3.949
168 HA TYR 802 HA TYR 802 12.039 1.430 -5.119
169 HB2 TYR 802 HB2 TYR 802 11.685 0.435 -2.779
170 HB3 TYR 802 HB1 TYR 802 10.695 -0.797 -3.554
171 HD1 TYR 802 HD2 TYR 802 14.093 0.545 -3.190
172 HD2 TYR 802 HD1 TYR 802 11.708 -2.563 -4.853
173 HE1 TYR 802 HE2 TYR 802 16.126 -0.755 -3.653
174 HE2 TYR 802 HE1 TYR 802 13.736 -3.873 -5.322
175 HH TYR 802 HH TYR 802 16.166 -3.449 -5.678
176 H CYS 803 HN CYS 803 9.883 -1.322 -4.932
177 HA CYS 803 HA CYS 803 9.974 -1.893 -7.650
178 HB2 CYS 803 HB2 CYS 803 7.988 -3.425 -7.081
179 HB3 CYS 803 HB1 CYS 803 9.504 -3.687 -6.223
180 H GLY 804 HN GLY 804 7.563 0.032 -5.962
181 HA2 GLY 804 HA2 GLY 804 6.360 1.731 -7.057
182 HA3 GLY 804 HA1 GLY 804 6.757 0.984 -8.594
183 H LYS 805 HN LYS 805 5.471 -1.040 -6.118
184 HA LYS 805 HA LYS 805 3.092 -1.524 -7.713
185 HB2 LYS 805 HB2 LYS 805 4.147 -2.787 -5.181
186 HB3 LYS 805 HB1 LYS 805 2.625 -3.243 -5.936
187 HG2 LYS 805 HG2 LYS 805 3.879 -3.817 -7.998
188 HG3 LYS 805 HG1 LYS 805 5.379 -3.506 -7.119
189 HD2 LYS 805 HD2 LYS 805 4.905 -5.266 -5.567
190 HD3 LYS 805 HD1 LYS 805 3.288 -5.489 -6.241
191 HE2 LYS 805 HE2 LYS 805 5.899 -5.989 -7.671
192 HE3 LYS 805 HE1 LYS 805 4.817 -7.223 -7.024
193 HZ1 LYS 805 HZ1 LYS 805 3.083 -6.336 -8.553
194 HZ2 LYS 805 HZ2 LYS 805 4.409 -7.032 -9.344
195 HZ3 LYS 805 HZ3 LYS 805 4.263 -5.345 -9.260
196 H TYR 806 HN TYR 806 1.046 -1.036 -7.193
197 HA TYR 806 HA TYR 806 0.717 1.132 -5.252
198 HB2 TYR 806 HB2 TYR 806 -1.239 0.031 -7.284
199 HB3 TYR 806 HB1 TYR 806 -1.478 1.459 -6.290
200 HD1 TYR 806 HD2 TYR 806 -0.332 3.543 -6.799
201 HD2 TYR 806 HD1 TYR 806 0.223 0.084 -9.217
202 HE1 TYR 806 HE2 TYR 806 0.637 4.947 -8.570
203 HE2 TYR 806 HE1 TYR 806 1.196 1.476 -10.994
204 HH TYR 806 HH TYR 806 1.049 3.879 -11.724
205 H ALA 807 HN ALA 807 -0.519 1.042 -3.526
206 HA ALA 807 HA ALA 807 -2.160 -1.275 -2.929
207 HB1 ALA 807 HB1 ALA 807 0.078 -2.106 -2.397
208 HB2 ALA 807 HB2 ALA 807 -0.875 -1.901 -0.929
209 HB3 ALA 807 HB3 ALA 807 0.360 -0.713 -1.350
210 HA PRO 808 HA PRO 808 -4.184 1.704 -0.388
211 HB2 PRO 808 HB2 PRO 808 -4.459 -0.252 1.805
212 HB3 PRO 808 HB1 PRO 808 -5.719 0.555 0.866
213 HG2 PRO 808 HG2 PRO 808 -5.152 -2.066 0.557
214 HG3 PRO 808 HG1 PRO 808 -5.700 -1.048 -0.787
215 HD2 PRO 808 HD2 PRO 808 -2.949 -2.013 -0.132
216 HD3 PRO 808 HD1 PRO 808 -3.727 -1.810 -1.715
217 H ALA 809 HN ALA 809 -3.258 3.249 0.650
218 HA ALA 809 HA ALA 809 -0.742 3.430 1.599
219 HB1 ALA 809 HB1 ALA 809 -2.264 5.335 1.254
220 HB2 ALA 809 HB2 ALA 809 -1.362 5.450 2.765
221 HB3 ALA 809 HB3 ALA 809 -3.055 4.957 2.785
222 H GLU 810 HN GLU 810 -3.342 2.031 3.373
223 HA GLU 810 HA GLU 810 -2.319 2.132 6.003
224 HB2 GLU 810 HB2 GLU 810 -4.636 1.381 4.961
225 HB3 GLU 810 HB1 GLU 810 -3.889 -0.208 5.078
226 HG2 GLU 810 HG2 GLU 810 -3.550 0.071 7.434
227 HG3 GLU 810 HG1 GLU 810 -4.141 1.730 7.352
228 H GLN 811 HN GLN 811 -1.424 0.169 3.279
229 HA GLN 811 HA GLN 811 -0.159 -1.839 4.941
230 HB2 GLN 811 HB2 GLN 811 -1.351 -2.623 2.994
231 HB3 GLN 811 HB1 GLN 811 -0.464 -1.538 1.943
232 HG2 GLN 811 HG2 GLN 811 1.298 -3.317 3.396
233 HG3 GLN 811 HG1 GLN 811 0.093 -4.192 2.456
234 HE21 GLN 811 HE21 GLN 811 1.349 -1.050 1.531
235 HE22 GLN 811 HE22 GLN 811 2.195 -1.601 0.137
236 H PHE 812 HN PHE 812 0.593 1.178 4.167
237 HA PHE 812 HA PHE 812 3.350 0.659 3.319
238 HB2 PHE 812 HB2 PHE 812 1.675 3.174 3.261
239 HB3 PHE 812 HB1 PHE 812 3.426 3.205 3.039
240 HD1 PHE 812 HD1 PHE 812 0.258 1.940 1.641
241 HD2 PHE 812 HD2 PHE 812 4.418 2.547 1.004
242 HE1 PHE 812 HE1 PHE 812 -0.025 1.375 -0.736
243 HE2 PHE 812 HE2 PHE 812 4.143 1.988 -1.371
244 HZ PHE 812 HZ PHE 812 1.920 1.398 -2.243
245 H ARG 813 HN ARG 813 3.303 -0.320 5.463
246 HA ARG 813 HA ARG 813 3.396 1.281 7.804
247 HB2 ARG 813 HB2 ARG 813 4.518 -1.487 7.310
248 HB3 ARG 813 HB1 ARG 813 4.204 -0.766 8.885
249 HG2 ARG 813 HG2 ARG 813 2.020 -1.119 6.866
250 HG3 ARG 813 HG1 ARG 813 2.500 -2.427 7.949
251 HD2 ARG 813 HD2 ARG 813 1.729 0.316 8.919
252 HD3 ARG 813 HD1 ARG 813 0.570 -1.002 8.732
253 HE ARG 813 HE ARG 813 2.919 -1.130 10.522
254 HH11 ARG 813 HH11 ARG 813 -0.477 -1.650 9.865
255 HH12 ARG 813 HH12 ARG 813 -0.726 -2.656 11.261
256 HH21 ARG 813 HH21 ARG 813 2.609 -2.439 12.367
257 HH22 ARG 813 HH22 ARG 813 1.023 -3.069 12.711
258 H GLY 814 HN GLY 814 5.518 0.963 5.272
259 HA2 GLY 814 HA2 GLY 814 7.959 1.414 6.767
260 HA3 GLY 814 HA1 GLY 814 7.780 1.479 5.016
261 H SER 815 HN SER 815 5.780 3.193 7.304
262 HA SER 815 HA SER 815 5.247 5.379 7.568
263 HB2 SER 815 HB2 SER 815 8.205 5.826 7.105
264 HB3 SER 815 HB1 SER 815 7.100 6.893 7.974
265 HG SER 815 HG SER 815 8.515 4.871 8.939
266 H LYS 816 HN LYS 816 4.706 4.410 5.103
267 HA LYS 816 HA LYS 816 3.872 5.156 3.135
268 HB2 LYS 816 HB2 LYS 816 4.279 7.916 4.306
269 HB3 LYS 816 HB1 LYS 816 3.170 7.471 3.018
270 HG2 LYS 816 HG2 LYS 816 2.996 6.540 5.878
271 HG3 LYS 816 HG1 LYS 816 2.021 7.815 5.146
272 HD2 LYS 816 HD2 LYS 816 1.080 6.193 3.576
273 HD3 LYS 816 HD1 LYS 816 2.060 4.917 4.304
274 HE2 LYS 816 HE2 LYS 816 -0.226 4.855 5.151
275 HE3 LYS 816 HE1 LYS 816 0.916 5.249 6.435
276 HZ1 LYS 816 HZ1 LYS 816 -1.162 6.614 6.395
277 HZ2 LYS 816 HZ2 LYS 816 -0.614 7.304 4.944
278 HZ3 LYS 816 HZ3 LYS 816 0.278 7.508 6.371
279 H ARG 817 HN ARG 817 6.250 4.399 2.677
280 HA ARG 817 HA ARG 817 7.358 6.301 0.753
281 HB2 ARG 817 HB2 ARG 817 8.898 4.915 2.953
282 HB3 ARG 817 HB1 ARG 817 9.670 5.446 1.471
283 HG2 ARG 817 HG2 ARG 817 9.065 7.757 1.983
284 HG3 ARG 817 HG1 ARG 817 8.284 7.217 3.473
285 HD2 ARG 817 HD2 ARG 817 10.372 6.390 4.334
286 HD3 ARG 817 HD1 ARG 817 11.185 6.734 2.811
287 HE ARG 817 HE ARG 817 10.893 9.103 3.295
288 HH11 ARG 817 HH11 ARG 817 10.430 6.855 5.928
289 HH12 ARG 817 HH12 ARG 817 10.851 7.997 7.166
290 HH21 ARG 817 HH21 ARG 817 11.451 10.633 4.924
291 HH22 ARG 817 HH22 ARG 817 11.388 10.155 6.600
292 H PHE 818 HN PHE 818 7.319 3.126 2.224
293 HA PHE 818 HA PHE 818 7.468 1.871 -0.412
294 HB2 PHE 818 HB2 PHE 818 8.989 1.006 2.057
295 HB3 PHE 818 HB1 PHE 818 8.931 0.135 0.526
296 HD1 PHE 818 HD2 PHE 818 10.008 1.060 -1.467
297 HD2 PHE 818 HD1 PHE 818 10.381 2.921 2.334
298 HE1 PHE 818 HE2 PHE 818 11.907 2.382 -2.305
299 HE2 PHE 818 HE1 PHE 818 12.274 4.250 1.504
300 HZ PHE 818 HZ PHE 818 13.042 3.982 -0.820
301 H CYS 819 HN CYS 819 6.594 -0.354 -0.293
302 HA CYS 819 HA CYS 819 4.342 -0.636 1.468
303 HB2 CYS 819 HB2 CYS 819 4.314 -2.961 0.317
304 HB3 CYS 819 HB1 CYS 819 3.963 -1.559 -0.668
305 H SER 820 HN SER 820 4.983 -3.607 1.877
306 HA SER 820 HA SER 820 5.329 -2.953 4.635
307 HB2 SER 820 HB2 SER 820 4.977 -5.426 4.893
308 HB3 SER 820 HB1 SER 820 3.708 -4.560 4.013
309 HG SER 820 HG SER 820 4.227 -6.413 2.869
310 H MET 821 HN MET 821 6.779 -5.946 4.490
311 HA MET 821 HA MET 821 8.922 -4.624 5.914
312 HB2 MET 821 HB2 MET 821 8.181 -7.517 5.584
313 HB3 MET 821 HB1 MET 821 9.605 -6.995 6.470
314 HG2 MET 821 HG2 MET 821 6.818 -6.095 7.111
315 HG3 MET 821 HG1 MET 821 7.591 -7.487 7.867
316 HE1 MET 821 HE1 MET 821 6.720 -3.920 8.194
317 HE2 MET 821 HE2 MET 821 8.124 -3.560 7.191
318 HE3 MET 821 HE3 MET 821 8.111 -3.091 8.888
319 H THR 822 HN THR 822 8.882 -7.158 3.418
320 HA THR 822 HA THR 822 11.525 -7.414 2.780
321 HB THR 822 HB THR 822 9.468 -7.119 0.612
322 HG1 THR 822 HG1 THR 822 8.644 -9.105 1.143
323 HG21 THR 822 HG21 THR 822 10.706 -8.971 -0.384
324 HG22 THR 822 HG22 THR 822 11.763 -9.034 1.028
325 HG23 THR 822 HG23 THR 822 11.784 -7.621 -0.029
326 H CYS 823 HN CYS 823 9.375 -4.954 1.399
327 HA CYS 823 HA CYS 823 11.433 -3.809 -0.194
328 HB2 CYS 823 HB2 CYS 823 8.629 -2.970 0.442
329 HB3 CYS 823 HB1 CYS 823 9.684 -2.103 -0.681
330 H ALA 824 HN ALA 824 9.706 -2.540 2.717
331 HA ALA 824 HA ALA 824 11.074 -0.093 2.771
332 HB1 ALA 824 HB1 ALA 824 10.309 0.079 5.086
333 HB2 ALA 824 HB2 ALA 824 9.857 -1.628 5.064
334 HB3 ALA 824 HB3 ALA 824 9.020 -0.477 4.020
335 H LYS 825 HN LYS 825 11.776 -3.182 4.422
336 HA LYS 825 HA LYS 825 14.035 -2.208 5.819
337 HB2 LYS 825 HB2 LYS 825 14.549 -4.459 6.345
338 HB3 LYS 825 HB1 LYS 825 12.795 -4.349 6.310
339 HG2 LYS 825 HG2 LYS 825 12.652 -5.503 4.277
340 HG3 LYS 825 HG1 LYS 825 14.368 -5.289 3.935
341 HD2 LYS 825 HD2 LYS 825 13.254 -6.926 6.206
342 HD3 LYS 825 HD1 LYS 825 13.783 -7.585 4.655
343 HE2 LYS 825 HE2 LYS 825 16.034 -6.609 5.077
344 HE3 LYS 825 HE1 LYS 825 15.477 -6.116 6.673
345 HZ1 LYS 825 HZ1 LYS 825 15.549 -8.920 5.698
346 HZ2 LYS 825 HZ2 LYS 825 15.133 -8.411 7.262
347 HZ3 LYS 825 HZ3 LYS 825 16.720 -8.212 6.699
348 H ARG 826 HN ARG 826 13.608 -3.287 2.511
349 HA ARG 826 HA ARG 826 16.310 -4.028 2.128
350 HB2 ARG 826 HB2 ARG 826 14.357 -4.860 0.803
351 HB3 ARG 826 HB1 ARG 826 14.246 -3.284 0.043
352 HG2 ARG 826 HG2 ARG 826 16.374 -3.588 -1.025
353 HG3 ARG 826 HG1 ARG 826 16.633 -5.107 -0.157
354 HD2 ARG 826 HD2 ARG 826 14.689 -6.080 -1.251
355 HD3 ARG 826 HD1 ARG 826 14.373 -4.560 -2.079
356 HE ARG 826 HE ARG 826 16.888 -5.193 -2.865
357 HH11 ARG 826 HH11 ARG 826 13.888 -6.985 -2.799
358 HH12 ARG 826 HH12 ARG 826 14.217 -7.862 -4.263
359 HH21 ARG 826 HH21 ARG 826 17.350 -6.367 -4.793
360 HH22 ARG 826 HH22 ARG 826 16.195 -7.536 -5.370
361 H TYR 827 HN TYR 827 14.580 -1.096 2.076
362 HA TYR 827 HA TYR 827 16.629 0.354 0.593
363 HB2 TYR 827 HB2 TYR 827 14.366 1.082 0.159
364 HB3 TYR 827 HB1 TYR 827 14.038 1.241 1.881
365 HD1 TYR 827 HD1 TYR 827 16.114 2.667 -0.862
366 HD2 TYR 827 HD2 TYR 827 14.358 3.285 2.967
367 HE1 TYR 827 HE1 TYR 827 16.734 5.047 -0.965
368 HE2 TYR 827 HE2 TYR 827 14.977 5.660 2.875
369 HH TYR 827 HH TYR 827 16.569 7.112 1.764
370 H ASN 828 HN ASN 828 15.535 -0.191 3.841
371 HA ASN 828 HA ASN 828 16.391 0.280 5.879
372 HB2 ASN 828 HB2 ASN 828 18.887 0.693 4.238
373 HB3 ASN 828 HB1 ASN 828 18.876 0.894 5.984
374 HD21 ASN 828 HD21 ASN 828 18.771 -1.329 3.358
375 HD22 ASN 828 HD22 ASN 828 18.898 -2.774 4.296
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -29.181 1.857 -4.372
2 H2 GLY 1 HT2 GLY 1 -27.848 2.907 -4.408
3 H3 GLY 1 HT3 GLY 1 -28.407 2.300 -2.927
4 HA2 GLY 1 HA1 GLY 1 -27.790 0.054 -3.584
5 HA3 GLY 1 HA2 GLY 1 -27.192 0.695 -5.111
6 H THR 2 HN THR 2 -25.665 -0.771 -3.183
7 HA THR 2 HA THR 2 -23.632 1.263 -2.595
8 HB THR 2 HB THR 2 -24.376 -0.926 -0.639
9 HG1 THR 2 HG1 THR 2 -25.963 0.418 -0.161
10 HG21 THR 2 HG21 THR 2 -22.046 -0.216 -0.502
11 HG22 THR 2 HG22 THR 2 -22.945 0.350 0.906
12 HG23 THR 2 HG23 THR 2 -22.552 1.471 -0.398
13 H ARG 3 HN ARG 3 -22.497 0.497 -4.412
14 HA ARG 3 HA ARG 3 -21.792 -2.221 -4.781
15 HB2 ARG 3 HB2 ARG 3 -21.766 -0.736 -6.658
16 HB3 ARG 3 HB1 ARG 3 -20.627 0.340 -5.866
17 HG2 ARG 3 HG2 ARG 3 -18.834 -1.030 -6.274
18 HG3 ARG 3 HG1 ARG 3 -19.836 -2.479 -6.402
19 HD2 ARG 3 HD2 ARG 3 -19.983 -0.239 -8.398
20 HD3 ARG 3 HD1 ARG 3 -18.835 -1.568 -8.557
21 HE ARG 3 HE ARG 3 -21.092 -2.936 -8.295
22 HH11 ARG 3 HH11 ARG 3 -20.510 -0.024 -10.159
23 HH12 ARG 3 HH12 ARG 3 -21.577 -0.489 -11.453
24 HH21 ARG 3 HH21 ARG 3 -22.508 -3.538 -9.980
25 HH22 ARG 3 HH22 ARG 3 -22.704 -2.504 -11.360
26 H GLY 783 HN GLY 783 -19.769 -3.228 -4.527
27 HA2 GLY 783 HA2 GLY 783 -17.411 -2.777 -3.629
28 HA3 GLY 783 HA1 GLY 783 -18.264 -2.175 -2.214
29 H VAL 784 HN VAL 784 -20.266 -4.404 -3.046
30 HA VAL 784 HA VAL 784 -18.809 -6.655 -1.828
31 HB VAL 784 HB VAL 784 -20.422 -5.648 -0.241
32 HG11 VAL 784 HG11 VAL 784 -22.480 -6.413 -2.306
33 HG12 VAL 784 HG12 VAL 784 -22.079 -4.785 -1.759
34 HG13 VAL 784 HG13 VAL 784 -22.845 -5.923 -0.653
35 HG21 VAL 784 HG21 VAL 784 -21.594 -7.727 0.366
36 HG22 VAL 784 HG22 VAL 784 -19.898 -8.001 -0.032
37 HG23 VAL 784 HG23 VAL 784 -21.155 -8.412 -1.200
38 H ASP 785 HN ASP 785 -20.948 -5.491 -4.259
39 HA ASP 785 HA ASP 785 -21.767 -8.012 -5.324
40 HB2 ASP 785 HB2 ASP 785 -22.570 -6.634 -7.208
41 HB3 ASP 785 HB1 ASP 785 -23.057 -5.933 -5.665
42 H SER 786 HN SER 786 -19.045 -5.926 -5.589
43 HA SER 786 HA SER 786 -18.074 -7.394 -7.930
44 HB2 SER 786 HB2 SER 786 -17.417 -4.572 -7.053
45 HB3 SER 786 HB1 SER 786 -16.730 -5.386 -8.457
46 HG SER 786 HG SER 786 -19.511 -4.914 -8.074
47 HA PRO 787 HA PRO 787 -14.627 -8.826 -5.449
48 HB2 PRO 787 HB2 PRO 787 -12.875 -9.222 -7.524
49 HB3 PRO 787 HB1 PRO 787 -14.135 -10.372 -7.064
50 HG2 PRO 787 HG2 PRO 787 -14.134 -8.331 -9.248
51 HG3 PRO 787 HG1 PRO 787 -14.739 -9.998 -9.270
52 HD2 PRO 787 HD2 PRO 787 -16.392 -7.890 -9.019
53 HD3 PRO 787 HD1 PRO 787 -16.708 -9.431 -8.195
54 H SER 788 HN SER 788 -14.575 -6.167 -7.664
55 HA SER 788 HA SER 788 -12.167 -4.996 -6.595
56 HB2 SER 788 HB2 SER 788 -14.385 -3.649 -8.159
57 HB3 SER 788 HB1 SER 788 -12.722 -3.091 -7.967
58 HG SER 788 HG SER 788 -12.014 -4.691 -9.284
59 H ALA 789 HN ALA 789 -13.182 -5.542 -4.392
60 HA ALA 789 HA ALA 789 -15.473 -4.236 -3.443
61 HB1 ALA 789 HB1 ALA 789 -14.749 -4.939 -1.235
62 HB2 ALA 789 HB2 ALA 789 -13.137 -5.291 -1.857
63 HB3 ALA 789 HB3 ALA 789 -14.521 -6.237 -2.406
64 H GLU 790 HN GLU 790 -12.032 -3.411 -3.088
65 HA GLU 790 HA GLU 790 -12.605 -1.166 -1.414
66 HB2 GLU 790 HB2 GLU 790 -10.079 -1.992 -2.828
67 HB3 GLU 790 HB1 GLU 790 -10.211 -0.589 -1.773
68 HG2 GLU 790 HG2 GLU 790 -10.907 -2.109 0.061
69 HG3 GLU 790 HG1 GLU 790 -10.592 -3.475 -1.012
70 H LEU 791 HN LEU 791 -13.021 -1.545 -4.690
71 HA LEU 791 HA LEU 791 -11.939 0.959 -5.547
72 HB2 LEU 791 HB2 LEU 791 -12.016 -1.008 -7.010
73 HB3 LEU 791 HB1 LEU 791 -13.764 -1.027 -6.914
74 HG LEU 791 HG LEU 791 -13.803 1.170 -8.017
75 HD11 LEU 791 HD11 LEU 791 -11.788 1.960 -9.170
76 HD12 LEU 791 HD12 LEU 791 -10.852 0.689 -8.381
77 HD13 LEU 791 HD13 LEU 791 -11.596 1.965 -7.417
78 HD21 LEU 791 HD21 LEU 791 -13.293 0.325 -10.255
79 HD22 LEU 791 HD22 LEU 791 -14.143 -0.877 -9.284
80 HD23 LEU 791 HD23 LEU 791 -12.403 -1.020 -9.539
81 H ASP 792 HN ASP 792 -13.579 1.300 -3.429
82 HA ASP 792 HA ASP 792 -15.237 3.397 -4.074
83 HB2 ASP 792 HB2 ASP 792 -16.718 1.608 -5.046
84 HB3 ASP 792 HB1 ASP 792 -16.858 0.929 -3.427
85 H LYS 793 HN LYS 793 -14.552 0.736 -2.048
86 HA LYS 793 HA LYS 793 -15.437 1.811 0.404
87 HB2 LYS 793 HB2 LYS 793 -13.404 -0.337 -0.187
88 HB3 LYS 793 HB1 LYS 793 -13.958 0.064 1.432
89 HG2 LYS 793 HG2 LYS 793 -15.702 -0.926 -0.814
90 HG3 LYS 793 HG1 LYS 793 -15.080 -1.907 0.514
91 HD2 LYS 793 HD2 LYS 793 -16.914 0.471 0.775
92 HD3 LYS 793 HD1 LYS 793 -17.392 -1.221 0.910
93 HE2 LYS 793 HE2 LYS 793 -15.921 -1.476 2.846
94 HE3 LYS 793 HE1 LYS 793 -15.450 0.216 2.709
95 HZ1 LYS 793 HZ1 LYS 793 -17.117 0.060 4.368
96 HZ2 LYS 793 HZ2 LYS 793 -18.137 -0.852 3.366
97 HZ3 LYS 793 HZ3 LYS 793 -17.841 0.781 3.014
98 H LYS 794 HN LYS 794 -12.243 1.666 -1.121
99 HA LYS 794 HA LYS 794 -11.478 4.136 0.043
100 HB2 LYS 794 HB2 LYS 794 -9.440 3.149 1.239
101 HB3 LYS 794 HB1 LYS 794 -10.998 3.049 2.042
102 HG2 LYS 794 HG2 LYS 794 -11.131 0.681 1.041
103 HG3 LYS 794 HG1 LYS 794 -9.395 0.866 0.763
104 HD2 LYS 794 HD2 LYS 794 -9.112 1.397 3.166
105 HD3 LYS 794 HD1 LYS 794 -10.830 1.090 3.409
106 HE2 LYS 794 HE2 LYS 794 -9.753 -0.892 4.056
107 HE3 LYS 794 HE1 LYS 794 -10.393 -1.226 2.448
108 HZ1 LYS 794 HZ1 LYS 794 -8.090 -2.007 2.794
109 HZ2 LYS 794 HZ2 LYS 794 -7.591 -0.396 2.989
110 HZ3 LYS 794 HZ3 LYS 794 -8.235 -0.917 1.501
111 H ALA 795 HN ALA 795 -9.517 1.296 -0.846
112 HA ALA 795 HA ALA 795 -7.725 1.144 -2.247
113 HB1 ALA 795 HB1 ALA 795 -8.260 1.472 -4.580
114 HB2 ALA 795 HB2 ALA 795 -9.641 2.483 -4.151
115 HB3 ALA 795 HB3 ALA 795 -9.644 0.766 -3.745
116 H ASN 796 HN ASN 796 -7.627 3.475 -0.620
117 HA ASN 796 HA ASN 796 -6.602 5.630 -2.187
118 HB2 ASN 796 HB2 ASN 796 -5.907 6.626 -0.075
119 HB3 ASN 796 HB1 ASN 796 -7.540 6.007 0.066
120 HD21 ASN 796 HD21 ASN 796 -6.333 3.194 0.343
121 HD22 ASN 796 HD22 ASN 796 -5.831 3.133 1.994
122 H LEU 797 HN LEU 797 -5.178 4.405 -3.579
123 HA LEU 797 HA LEU 797 -2.981 3.004 -2.323
124 HB2 LEU 797 HB2 LEU 797 -3.490 3.284 -5.263
125 HB3 LEU 797 HB1 LEU 797 -2.596 2.028 -4.442
126 HG LEU 797 HG LEU 797 -5.592 2.394 -4.331
127 HD11 LEU 797 HD11 LEU 797 -5.666 0.363 -5.685
128 HD12 LEU 797 HD12 LEU 797 -3.905 0.362 -5.781
129 HD13 LEU 797 HD13 LEU 797 -4.828 1.669 -6.524
130 HD21 LEU 797 HD21 LEU 797 -5.600 0.211 -3.233
131 HD22 LEU 797 HD22 LEU 797 -4.707 1.402 -2.288
132 HD23 LEU 797 HD23 LEU 797 -3.836 0.200 -3.239
133 H LEU 798 HN LEU 798 -0.913 3.488 -2.595
134 HA LEU 798 HA LEU 798 -0.034 5.482 -4.503
135 HB2 LEU 798 HB2 LEU 798 1.269 6.771 -2.985
136 HB3 LEU 798 HB1 LEU 798 -0.350 6.725 -2.340
137 HG LEU 798 HG LEU 798 1.086 6.578 -0.495
138 HD11 LEU 798 HD11 LEU 798 -0.740 5.031 -0.293
139 HD12 LEU 798 HD12 LEU 798 0.706 4.362 0.465
140 HD13 LEU 798 HD13 LEU 798 0.190 3.778 -1.118
141 HD21 LEU 798 HD21 LEU 798 3.153 6.116 -1.561
142 HD22 LEU 798 HD22 LEU 798 2.615 4.504 -2.030
143 HD23 LEU 798 HD23 LEU 798 2.893 4.883 -0.326
144 H LYS 799 HN LYS 799 2.642 5.219 -4.438
145 HA LYS 799 HA LYS 799 2.898 2.379 -3.984
146 HB2 LYS 799 HB2 LYS 799 3.591 1.796 -6.201
147 HB3 LYS 799 HB1 LYS 799 2.107 2.722 -6.347
148 HG2 LYS 799 HG2 LYS 799 4.861 3.879 -6.735
149 HG3 LYS 799 HG1 LYS 799 3.854 3.256 -8.042
150 HD2 LYS 799 HD2 LYS 799 2.109 4.907 -7.405
151 HD3 LYS 799 HD1 LYS 799 3.224 5.565 -6.206
152 HE2 LYS 799 HE2 LYS 799 3.755 5.423 -9.175
153 HE3 LYS 799 HE1 LYS 799 3.206 6.860 -8.311
154 HZ1 LYS 799 HZ1 LYS 799 5.568 6.967 -8.609
155 HZ2 LYS 799 HZ2 LYS 799 5.787 5.434 -7.914
156 HZ3 LYS 799 HZ3 LYS 799 5.246 6.726 -6.962
157 H CYS 800 HN CYS 800 4.661 1.517 -3.600
158 HA CYS 800 HA CYS 800 6.726 2.544 -2.268
159 HB2 CYS 800 HB2 CYS 800 6.023 0.202 -2.626
160 HB3 CYS 800 HB1 CYS 800 6.738 0.250 -4.224
161 H GLU 801 HN GLU 801 8.072 4.115 -2.780
162 HA GLU 801 HA GLU 801 8.994 4.920 -5.262
163 HB2 GLU 801 HB2 GLU 801 9.114 6.141 -3.068
164 HB3 GLU 801 HB1 GLU 801 10.484 5.129 -2.642
165 HG2 GLU 801 HG2 GLU 801 11.804 6.059 -4.398
166 HG3 GLU 801 HG1 GLU 801 10.413 6.924 -5.055
167 H TYR 802 HN TYR 802 9.682 1.944 -3.947
168 HA TYR 802 HA TYR 802 12.360 1.904 -5.141
169 HB2 TYR 802 HB2 TYR 802 11.979 1.082 -2.719
170 HB3 TYR 802 HB1 TYR 802 11.225 -0.329 -3.452
171 HD1 TYR 802 HD2 TYR 802 14.404 1.589 -3.306
172 HD2 TYR 802 HD1 TYR 802 12.522 -2.102 -4.271
173 HE1 TYR 802 HE2 TYR 802 16.612 0.537 -3.573
174 HE2 TYR 802 HE1 TYR 802 14.723 -3.161 -4.539
175 HH TYR 802 HH TYR 802 17.002 -2.574 -4.992
176 H CYS 803 HN CYS 803 9.344 0.002 -5.085
177 HA CYS 803 HA CYS 803 10.188 -1.179 -7.659
178 HB2 CYS 803 HB2 CYS 803 8.581 -3.041 -7.047
179 HB3 CYS 803 HB1 CYS 803 10.008 -2.926 -6.024
180 H GLY 804 HN GLY 804 7.572 0.538 -6.109
181 HA2 GLY 804 HA2 GLY 804 6.189 1.977 -7.350
182 HA3 GLY 804 HA1 GLY 804 6.629 1.103 -8.810
183 H LYS 805 HN LYS 805 5.673 -0.790 -6.104
184 HA LYS 805 HA LYS 805 3.316 -1.712 -7.513
185 HB2 LYS 805 HB2 LYS 805 4.275 -2.436 -4.740
186 HB3 LYS 805 HB1 LYS 805 3.086 -3.302 -5.704
187 HG2 LYS 805 HG2 LYS 805 6.008 -3.004 -6.377
188 HG3 LYS 805 HG1 LYS 805 5.250 -4.434 -5.682
189 HD2 LYS 805 HD2 LYS 805 4.568 -3.240 -8.371
190 HD3 LYS 805 HD1 LYS 805 5.623 -4.630 -8.114
191 HE2 LYS 805 HE2 LYS 805 3.690 -5.761 -6.980
192 HE3 LYS 805 HE1 LYS 805 2.680 -4.418 -7.520
193 HZ1 LYS 805 HZ1 LYS 805 2.526 -6.267 -9.050
194 HZ2 LYS 805 HZ2 LYS 805 4.206 -6.270 -9.271
195 HZ3 LYS 805 HZ3 LYS 805 3.285 -4.957 -9.815
196 H TYR 806 HN TYR 806 1.252 -1.178 -7.116
197 HA TYR 806 HA TYR 806 0.782 1.044 -5.249
198 HB2 TYR 806 HB2 TYR 806 -0.932 -0.180 -7.419
199 HB3 TYR 806 HB1 TYR 806 -1.500 1.067 -6.323
200 HD1 TYR 806 HD1 TYR 806 0.940 0.358 -9.020
201 HD2 TYR 806 HD2 TYR 806 -1.034 3.343 -6.719
202 HE1 TYR 806 HE1 TYR 806 1.767 2.083 -10.561
203 HE2 TYR 806 HE2 TYR 806 -0.209 5.078 -8.254
204 HH TYR 806 HH TYR 806 1.226 4.333 -11.270
205 H ALA 807 HN ALA 807 -0.265 0.850 -3.433
206 HA ALA 807 HA ALA 807 -1.963 -1.418 -2.870
207 HB1 ALA 807 HB1 ALA 807 0.618 -1.021 -1.349
208 HB2 ALA 807 HB2 ALA 807 0.265 -2.346 -2.456
209 HB3 ALA 807 HB3 ALA 807 -0.646 -2.190 -0.956
210 HA PRO 808 HA PRO 808 -4.017 1.433 -0.252
211 HB2 PRO 808 HB2 PRO 808 -4.054 -0.677 1.850
212 HB3 PRO 808 HB1 PRO 808 -5.402 0.209 1.125
213 HG2 PRO 808 HG2 PRO 808 -4.955 -2.323 0.470
214 HG3 PRO 808 HG1 PRO 808 -5.433 -1.145 -0.768
215 HD2 PRO 808 HD2 PRO 808 -2.723 -2.263 -0.165
216 HD3 PRO 808 HD1 PRO 808 -3.488 -1.949 -1.738
217 H ALA 809 HN ALA 809 -3.206 3.047 0.818
218 HA ALA 809 HA ALA 809 -0.713 3.385 1.748
219 HB1 ALA 809 HB1 ALA 809 -3.141 4.732 2.906
220 HB2 ALA 809 HB2 ALA 809 -2.328 5.175 1.404
221 HB3 ALA 809 HB3 ALA 809 -1.487 5.341 2.947
222 H GLU 810 HN GLU 810 -3.360 2.003 3.570
223 HA GLU 810 HA GLU 810 -2.363 2.172 6.215
224 HB2 GLU 810 HB2 GLU 810 -3.826 0.096 6.555
225 HB3 GLU 810 HB1 GLU 810 -4.607 1.593 6.067
226 HG2 GLU 810 HG2 GLU 810 -3.773 -0.219 3.894
227 HG3 GLU 810 HG1 GLU 810 -5.085 -0.782 4.928
228 H GLN 811 HN GLN 811 -1.567 0.042 3.586
229 HA GLN 811 HA GLN 811 -0.262 -1.924 5.230
230 HB2 GLN 811 HB2 GLN 811 -1.229 -2.641 3.146
231 HB3 GLN 811 HB1 GLN 811 -0.308 -1.442 2.249
232 HG2 GLN 811 HG2 GLN 811 1.764 -2.655 3.127
233 HG3 GLN 811 HG1 GLN 811 0.655 -3.957 3.548
234 HE21 GLN 811 HE21 GLN 811 1.968 -2.057 0.944
235 HE22 GLN 811 HE22 GLN 811 1.630 -3.198 -0.319
236 H PHE 812 HN PHE 812 0.651 0.942 3.421
237 HA PHE 812 HA PHE 812 3.401 0.572 3.422
238 HB2 PHE 812 HB2 PHE 812 1.628 2.957 3.147
239 HB3 PHE 812 HB1 PHE 812 3.378 3.133 3.172
240 HD1 PHE 812 HD1 PHE 812 0.666 1.275 1.432
241 HD2 PHE 812 HD2 PHE 812 4.602 2.870 1.240
242 HE1 PHE 812 HE1 PHE 812 0.776 0.700 -0.957
243 HE2 PHE 812 HE2 PHE 812 4.720 2.300 -1.151
244 HZ PHE 812 HZ PHE 812 2.804 1.212 -2.249
245 H ARG 813 HN ARG 813 2.937 -0.169 5.926
246 HA ARG 813 HA ARG 813 3.444 1.923 7.870
247 HB2 ARG 813 HB2 ARG 813 3.516 -1.086 8.058
248 HB3 ARG 813 HB1 ARG 813 3.724 0.013 9.417
249 HG2 ARG 813 HG2 ARG 813 1.487 0.896 9.067
250 HG3 ARG 813 HG1 ARG 813 1.274 -0.169 7.676
251 HD2 ARG 813 HD2 ARG 813 1.729 -1.047 10.525
252 HD3 ARG 813 HD1 ARG 813 0.185 -1.056 9.672
253 HE ARG 813 HE ARG 813 2.481 -2.812 9.124
254 HH11 ARG 813 HH11 ARG 813 -0.876 -1.939 8.618
255 HH12 ARG 813 HH12 ARG 813 -1.301 -3.459 7.892
256 HH21 ARG 813 HH21 ARG 813 1.913 -4.838 8.207
257 HH22 ARG 813 HH22 ARG 813 0.271 -5.119 7.706
258 H GLY 814 HN GLY 814 5.335 0.980 5.500
259 HA2 GLY 814 HA2 GLY 814 7.788 1.082 7.084
260 HA3 GLY 814 HA1 GLY 814 7.683 0.910 5.333
261 H SER 815 HN SER 815 6.114 3.234 7.472
262 HA SER 815 HA SER 815 5.989 5.506 7.470
263 HB2 SER 815 HB2 SER 815 8.462 5.121 8.051
264 HB3 SER 815 HB1 SER 815 8.805 5.511 6.368
265 HG SER 815 HG SER 815 7.818 7.155 8.429
266 H LYS 816 HN LYS 816 5.103 4.078 5.165
267 HA LYS 816 HA LYS 816 4.006 4.616 3.278
268 HB2 LYS 816 HB2 LYS 816 4.039 7.341 4.579
269 HB3 LYS 816 HB1 LYS 816 2.998 6.883 3.236
270 HG2 LYS 816 HG2 LYS 816 2.037 5.092 4.645
271 HG3 LYS 816 HG1 LYS 816 3.009 5.676 5.993
272 HD2 LYS 816 HD2 LYS 816 1.856 7.815 5.921
273 HD3 LYS 816 HD1 LYS 816 0.921 7.280 4.522
274 HE2 LYS 816 HE2 LYS 816 -0.005 5.441 5.893
275 HE3 LYS 816 HE1 LYS 816 0.864 6.083 7.287
276 HZ1 LYS 816 HZ1 LYS 816 -0.421 8.107 7.134
277 HZ2 LYS 816 HZ2 LYS 816 -1.464 6.778 7.232
278 HZ3 LYS 816 HZ3 LYS 816 -1.215 7.544 5.745
279 H ARG 817 HN ARG 817 6.320 4.192 2.568
280 HA ARG 817 HA ARG 817 6.895 5.941 0.329
281 HB2 ARG 817 HB2 ARG 817 8.705 5.642 2.689
282 HB3 ARG 817 HB1 ARG 817 9.417 5.697 1.083
283 HG2 ARG 817 HG2 ARG 817 8.501 7.864 0.670
284 HG3 ARG 817 HG1 ARG 817 7.539 7.791 2.147
285 HD2 ARG 817 HD2 ARG 817 10.545 7.683 2.137
286 HD3 ARG 817 HD1 ARG 817 9.636 9.189 2.253
287 HE ARG 817 HE ARG 817 8.602 7.624 4.239
288 HH11 ARG 817 HH11 ARG 817 11.825 8.656 3.364
289 HH12 ARG 817 HH12 ARG 817 12.385 8.765 5.006
290 HH21 ARG 817 HH21 ARG 817 9.325 7.759 6.423
291 HH22 ARG 817 HH22 ARG 817 10.970 8.244 6.745
292 H PHE 818 HN PHE 818 7.460 3.027 2.208
293 HA PHE 818 HA PHE 818 7.803 1.591 -0.322
294 HB2 PHE 818 HB2 PHE 818 9.291 1.026 2.253
295 HB3 PHE 818 HB1 PHE 818 9.431 0.108 0.760
296 HD1 PHE 818 HD2 PHE 818 10.338 1.295 -1.292
297 HD2 PHE 818 HD1 PHE 818 10.618 2.915 2.633
298 HE1 PHE 818 HE2 PHE 818 12.162 2.771 -2.034
299 HE2 PHE 818 HE1 PHE 818 12.443 4.390 1.897
300 HZ PHE 818 HZ PHE 818 13.144 4.400 -0.458
301 H CYS 819 HN CYS 819 6.747 -0.392 -0.415
302 HA CYS 819 HA CYS 819 4.413 -0.449 1.262
303 HB2 CYS 819 HB2 CYS 819 4.093 -2.586 -0.301
304 HB3 CYS 819 HB1 CYS 819 3.782 -0.953 -0.875
305 H SER 820 HN SER 820 5.183 -1.160 3.384
306 HA SER 820 HA SER 820 4.607 -2.764 4.775
307 HB2 SER 820 HB2 SER 820 4.428 -5.110 4.295
308 HB3 SER 820 HB1 SER 820 3.649 -4.208 2.993
309 HG SER 820 HG SER 820 5.711 -4.511 1.840
310 H MET 821 HN MET 821 6.321 -5.307 4.875
311 HA MET 821 HA MET 821 8.511 -3.938 6.211
312 HB2 MET 821 HB2 MET 821 7.098 -5.937 7.088
313 HB3 MET 821 HB1 MET 821 8.191 -6.913 6.114
314 HG2 MET 821 HG2 MET 821 9.109 -4.961 8.197
315 HG3 MET 821 HG1 MET 821 8.826 -6.669 8.518
316 HE1 MET 821 HE1 MET 821 12.803 -5.709 8.292
317 HE2 MET 821 HE2 MET 821 11.480 -5.916 9.437
318 HE3 MET 821 HE3 MET 821 11.567 -4.459 8.445
319 H THR 822 HN THR 822 8.324 -6.767 4.069
320 HA THR 822 HA THR 822 10.908 -7.153 3.264
321 HB THR 822 HB THR 822 9.612 -7.633 0.973
322 HG1 THR 822 HG1 THR 822 7.550 -7.225 1.248
323 HG21 THR 822 HG21 THR 822 9.369 -9.273 3.492
324 HG22 THR 822 HG22 THR 822 10.737 -9.295 2.380
325 HG23 THR 822 HG23 THR 822 9.159 -9.874 1.848
326 H CYS 823 HN CYS 823 8.727 -4.722 1.866
327 HA CYS 823 HA CYS 823 10.688 -3.954 -0.085
328 HB2 CYS 823 HB2 CYS 823 8.091 -2.747 0.786
329 HB3 CYS 823 HB1 CYS 823 9.124 -2.023 -0.450
330 H ALA 824 HN ALA 824 9.603 -2.593 3.017
331 HA ALA 824 HA ALA 824 11.168 -0.265 2.914
332 HB1 ALA 824 HB1 ALA 824 10.804 -0.136 5.314
333 HB2 ALA 824 HB2 ALA 824 10.182 -1.786 5.309
334 HB3 ALA 824 HB3 ALA 824 9.319 -0.513 4.441
335 H LYS 825 HN LYS 825 11.834 -3.478 4.348
336 HA LYS 825 HA LYS 825 14.364 -2.841 5.327
337 HB2 LYS 825 HB2 LYS 825 14.766 -5.231 5.464
338 HB3 LYS 825 HB1 LYS 825 13.127 -4.852 5.979
339 HG2 LYS 825 HG2 LYS 825 12.268 -5.599 3.828
340 HG3 LYS 825 HG1 LYS 825 13.908 -5.947 3.286
341 HD2 LYS 825 HD2 LYS 825 12.875 -7.218 5.783
342 HD3 LYS 825 HD1 LYS 825 12.378 -7.857 4.219
343 HE2 LYS 825 HE2 LYS 825 14.270 -9.105 4.949
344 HE3 LYS 825 HE1 LYS 825 14.788 -8.074 3.619
345 HZ1 LYS 825 HZ1 LYS 825 15.157 -7.320 6.459
346 HZ2 LYS 825 HZ2 LYS 825 15.907 -6.649 5.093
347 HZ3 LYS 825 HZ3 LYS 825 16.308 -8.215 5.599
348 H ARG 826 HN ARG 826 13.235 -3.679 2.159
349 HA ARG 826 HA ARG 826 15.634 -4.535 1.005
350 HB2 ARG 826 HB2 ARG 826 13.243 -4.734 0.106
351 HB3 ARG 826 HB1 ARG 826 13.469 -3.107 -0.522
352 HG2 ARG 826 HG2 ARG 826 13.941 -4.635 -2.280
353 HG3 ARG 826 HG1 ARG 826 15.476 -3.943 -1.749
354 HD2 ARG 826 HD2 ARG 826 15.709 -6.331 -2.098
355 HD3 ARG 826 HD1 ARG 826 15.892 -5.944 -0.388
356 HE ARG 826 HE ARG 826 13.323 -6.918 -1.455
357 HH11 ARG 826 HH11 ARG 826 16.032 -7.249 0.747
358 HH12 ARG 826 HH12 ARG 826 15.313 -8.564 1.634
359 HH21 ARG 826 HH21 ARG 826 12.369 -8.622 -0.282
360 HH22 ARG 826 HH22 ARG 826 13.205 -9.314 1.077
361 H TYR 827 HN TYR 827 14.334 -1.343 1.596
362 HA TYR 827 HA TYR 827 16.431 -0.115 -0.034
363 HB2 TYR 827 HB2 TYR 827 14.175 0.895 -0.139
364 HB3 TYR 827 HB1 TYR 827 14.219 1.184 1.596
365 HD1 TYR 827 HD1 TYR 827 15.855 2.110 -1.610
366 HD2 TYR 827 HD2 TYR 827 15.186 3.158 2.463
367 HE1 TYR 827 HE1 TYR 827 16.882 4.309 -2.012
368 HE2 TYR 827 HE2 TYR 827 16.210 5.358 2.067
369 HH TYR 827 HH TYR 827 16.806 6.587 -1.025
370 H ASN 828 HN ASN 828 15.996 -1.227 3.076
371 HA ASN 828 HA ASN 828 17.250 -1.172 4.963
372 HB2 ASN 828 HB2 ASN 828 19.252 0.114 3.101
373 HB3 ASN 828 HB1 ASN 828 19.606 -0.261 4.781
374 HD21 ASN 828 HD21 ASN 828 18.049 -2.729 4.757
375 HD22 ASN 828 HD22 ASN 828 18.989 -3.874 3.857
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -15.069 0.208 12.474
2 H2 GLY 1 HT2 GLY 1 -15.875 1.156 13.632
3 H3 GLY 1 HT3 GLY 1 -14.494 0.278 14.071
4 HA2 GLY 1 HA1 GLY 1 -13.902 2.577 13.837
5 HA3 GLY 1 HA2 GLY 1 -13.146 1.632 12.559
6 H THR 2 HN THR 2 -15.321 1.241 10.885
7 HA THR 2 HA THR 2 -16.786 2.153 9.416
8 HB THR 2 HB THR 2 -16.614 4.680 11.069
9 HG1 THR 2 HG1 THR 2 -17.637 2.323 11.673
10 HG21 THR 2 HG21 THR 2 -18.605 3.793 8.973
11 HG22 THR 2 HG22 THR 2 -17.478 5.147 8.849
12 HG23 THR 2 HG23 THR 2 -18.796 5.199 10.020
13 H ARG 3 HN ARG 3 -14.212 4.472 10.282
14 HA ARG 3 HA ARG 3 -14.009 5.290 7.503
15 HB2 ARG 3 HB2 ARG 3 -12.499 6.134 9.976
16 HB3 ARG 3 HB1 ARG 3 -12.148 6.750 8.368
17 HG2 ARG 3 HG2 ARG 3 -14.326 7.740 8.208
18 HG3 ARG 3 HG1 ARG 3 -14.822 6.990 9.726
19 HD2 ARG 3 HD2 ARG 3 -14.251 9.359 10.011
20 HD3 ARG 3 HD1 ARG 3 -13.196 8.302 10.948
21 HE ARG 3 HE ARG 3 -11.776 8.668 8.693
22 HH11 ARG 3 HH11 ARG 3 -13.428 10.946 10.783
23 HH12 ARG 3 HH12 ARG 3 -12.286 12.223 10.490
24 HH21 ARG 3 HH21 ARG 3 -10.281 10.337 8.318
25 HH22 ARG 3 HH22 ARG 3 -10.486 11.878 9.111
26 H GLY 783 HN GLY 783 -11.442 4.400 9.803
27 HA2 GLY 783 HA2 GLY 783 -10.362 2.153 9.078
28 HA3 GLY 783 HA1 GLY 783 -10.071 3.044 7.589
29 H VAL 784 HN VAL 784 -7.824 2.482 8.144
30 HA VAL 784 HA VAL 784 -5.737 3.315 8.507
31 HB VAL 784 HB VAL 784 -7.102 5.619 9.920
32 HG11 VAL 784 HG11 VAL 784 -4.817 5.303 10.712
33 HG12 VAL 784 HG12 VAL 784 -4.950 6.762 9.733
34 HG13 VAL 784 HG13 VAL 784 -4.232 5.305 9.047
35 HG21 VAL 784 HG21 VAL 784 -7.638 5.520 7.544
36 HG22 VAL 784 HG22 VAL 784 -5.922 5.422 7.151
37 HG23 VAL 784 HG23 VAL 784 -6.574 6.885 7.890
38 H ASP 785 HN ASP 785 -7.707 4.026 11.380
39 HA ASP 785 HA ASP 785 -6.073 2.055 12.836
40 HB2 ASP 785 HB2 ASP 785 -5.752 4.277 13.813
41 HB3 ASP 785 HB1 ASP 785 -7.497 4.494 13.944
42 H SER 786 HN SER 786 -7.307 0.276 12.485
43 HA SER 786 HA SER 786 -10.063 0.395 13.463
44 HB2 SER 786 HB2 SER 786 -9.204 -0.818 10.833
45 HB3 SER 786 HB1 SER 786 -10.820 -0.947 11.531
46 HG SER 786 HG SER 786 -10.233 1.599 11.568
47 HA PRO 787 HA PRO 787 -8.804 -3.564 15.186
48 HB2 PRO 787 HB2 PRO 787 -11.220 -3.736 16.644
49 HB3 PRO 787 HB1 PRO 787 -9.673 -3.125 17.231
50 HG2 PRO 787 HG2 PRO 787 -12.012 -1.627 16.855
51 HG3 PRO 787 HG1 PRO 787 -10.386 -0.979 17.122
52 HD2 PRO 787 HD2 PRO 787 -11.910 -1.303 14.581
53 HD3 PRO 787 HD1 PRO 787 -10.732 -0.055 15.046
54 H SER 788 HN SER 788 -10.977 -2.851 12.912
55 HA SER 788 HA SER 788 -11.768 -5.641 12.532
56 HB2 SER 788 HB2 SER 788 -13.684 -4.312 13.483
57 HB3 SER 788 HB1 SER 788 -13.601 -3.269 12.064
58 HG SER 788 HG SER 788 -13.767 -6.011 11.582
59 H ALA 789 HN ALA 789 -12.222 -6.115 10.262
60 HA ALA 789 HA ALA 789 -10.275 -4.847 8.582
61 HB1 ALA 789 HB1 ALA 789 -10.857 -6.545 6.960
62 HB2 ALA 789 HB2 ALA 789 -12.275 -6.997 7.908
63 HB3 ALA 789 HB3 ALA 789 -10.658 -7.268 8.556
64 H GLU 790 HN GLU 790 -11.487 -2.720 8.836
65 HA GLU 790 HA GLU 790 -13.492 -2.476 6.685
66 HB2 GLU 790 HB2 GLU 790 -13.064 -0.652 9.051
67 HB3 GLU 790 HB1 GLU 790 -14.264 -0.443 7.782
68 HG2 GLU 790 HG2 GLU 790 -15.398 -2.470 8.490
69 HG3 GLU 790 HG1 GLU 790 -14.151 -2.771 9.700
70 H LEU 791 HN LEU 791 -10.287 -1.834 7.411
71 HA LEU 791 HA LEU 791 -10.308 0.766 6.163
72 HB2 LEU 791 HB2 LEU 791 -7.855 0.781 6.566
73 HB3 LEU 791 HB1 LEU 791 -8.821 0.603 8.013
74 HG LEU 791 HG LEU 791 -8.340 -1.935 7.751
75 HD11 LEU 791 HD11 LEU 791 -6.210 -2.447 6.684
76 HD12 LEU 791 HD12 LEU 791 -6.087 -0.781 6.117
77 HD13 LEU 791 HD13 LEU 791 -7.373 -1.826 5.511
78 HD21 LEU 791 HD21 LEU 791 -6.208 0.038 8.552
79 HD22 LEU 791 HD22 LEU 791 -6.240 -1.668 9.002
80 HD23 LEU 791 HD23 LEU 791 -7.505 -0.581 9.574
81 H ASP 792 HN ASP 792 -10.360 -2.284 5.160
82 HA ASP 792 HA ASP 792 -8.857 -1.899 2.703
83 HB2 ASP 792 HB2 ASP 792 -10.550 -4.190 3.717
84 HB3 ASP 792 HB1 ASP 792 -9.864 -4.161 2.098
85 H LYS 793 HN LYS 793 -11.609 -0.759 3.854
86 HA LYS 793 HA LYS 793 -13.416 -1.193 1.704
87 HB2 LYS 793 HB2 LYS 793 -14.252 -0.661 3.914
88 HB3 LYS 793 HB1 LYS 793 -13.410 0.884 3.888
89 HG2 LYS 793 HG2 LYS 793 -14.819 1.606 2.010
90 HG3 LYS 793 HG1 LYS 793 -15.676 0.068 2.078
91 HD2 LYS 793 HD2 LYS 793 -16.933 1.824 3.204
92 HD3 LYS 793 HD1 LYS 793 -16.429 0.579 4.348
93 HE2 LYS 793 HE2 LYS 793 -14.741 3.015 3.941
94 HE3 LYS 793 HE1 LYS 793 -16.175 3.102 4.960
95 HZ1 LYS 793 HZ1 LYS 793 -13.869 1.267 5.339
96 HZ2 LYS 793 HZ2 LYS 793 -15.273 1.276 6.286
97 HZ3 LYS 793 HZ3 LYS 793 -14.245 2.622 6.284
98 H LYS 794 HN LYS 794 -10.964 1.144 2.457
99 HA LYS 794 HA LYS 794 -11.815 3.112 0.567
100 HB2 LYS 794 HB2 LYS 794 -9.217 2.880 2.094
101 HB3 LYS 794 HB1 LYS 794 -9.781 4.298 1.224
102 HG2 LYS 794 HG2 LYS 794 -11.175 3.073 3.595
103 HG3 LYS 794 HG1 LYS 794 -10.096 4.466 3.663
104 HD2 LYS 794 HD2 LYS 794 -12.382 4.576 1.760
105 HD3 LYS 794 HD1 LYS 794 -12.743 4.720 3.479
106 HE2 LYS 794 HE2 LYS 794 -12.464 6.924 2.566
107 HE3 LYS 794 HE1 LYS 794 -11.100 6.576 3.620
108 HZ1 LYS 794 HZ1 LYS 794 -10.432 7.662 1.551
109 HZ2 LYS 794 HZ2 LYS 794 -11.054 6.362 0.659
110 HZ3 LYS 794 HZ3 LYS 794 -9.741 6.123 1.697
111 H ALA 795 HN ALA 795 -9.726 3.966 -0.740
112 HA ALA 795 HA ALA 795 -8.215 1.884 -2.022
113 HB1 ALA 795 HB1 ALA 795 -10.348 1.579 -3.163
114 HB2 ALA 795 HB2 ALA 795 -9.138 2.229 -4.270
115 HB3 ALA 795 HB3 ALA 795 -10.375 3.290 -3.594
116 H ASN 796 HN ASN 796 -7.818 4.366 -0.599
117 HA ASN 796 HA ASN 796 -6.680 6.222 -2.475
118 HB2 ASN 796 HB2 ASN 796 -5.539 6.983 -0.194
119 HB3 ASN 796 HB1 ASN 796 -7.227 7.349 -0.534
120 HD21 ASN 796 HD21 ASN 796 -5.060 5.255 1.236
121 HD22 ASN 796 HD22 ASN 796 -6.228 4.724 2.397
122 H LEU 797 HN LEU 797 -5.249 5.014 -3.742
123 HA LEU 797 HA LEU 797 -3.296 3.323 -2.411
124 HB2 LEU 797 HB2 LEU 797 -3.757 3.673 -5.355
125 HB3 LEU 797 HB1 LEU 797 -2.944 2.350 -4.545
126 HG LEU 797 HG LEU 797 -5.901 2.928 -4.337
127 HD11 LEU 797 HD11 LEU 797 -4.423 0.870 -5.972
128 HD12 LEU 797 HD12 LEU 797 -5.312 2.260 -6.596
129 HD13 LEU 797 HD13 LEU 797 -6.174 0.958 -5.775
130 HD21 LEU 797 HD21 LEU 797 -6.027 0.714 -3.333
131 HD22 LEU 797 HD22 LEU 797 -4.983 1.774 -2.387
132 HD23 LEU 797 HD23 LEU 797 -4.274 0.551 -3.442
133 H LEU 798 HN LEU 798 -1.181 3.457 -2.822
134 HA LEU 798 HA LEU 798 -0.018 5.448 -4.567
135 HB2 LEU 798 HB2 LEU 798 1.315 6.566 -3.006
136 HB3 LEU 798 HB1 LEU 798 -0.243 6.503 -2.208
137 HG LEU 798 HG LEU 798 2.116 4.711 -1.644
138 HD11 LEU 798 HD11 LEU 798 2.189 5.861 0.499
139 HD12 LEU 798 HD12 LEU 798 0.858 6.903 -0.006
140 HD13 LEU 798 HD13 LEU 798 2.411 6.987 -0.838
141 HD21 LEU 798 HD21 LEU 798 -0.581 4.829 -0.317
142 HD22 LEU 798 HD22 LEU 798 0.788 3.832 0.187
143 HD23 LEU 798 HD23 LEU 798 0.008 3.542 -1.370
144 H LYS 799 HN LYS 799 2.668 4.913 -4.007
145 HA LYS 799 HA LYS 799 2.683 2.054 -3.801
146 HB2 LYS 799 HB2 LYS 799 3.442 1.558 -6.021
147 HB3 LYS 799 HB1 LYS 799 1.978 2.523 -6.120
148 HG2 LYS 799 HG2 LYS 799 4.758 3.633 -6.464
149 HG3 LYS 799 HG1 LYS 799 3.727 3.103 -7.792
150 HD2 LYS 799 HD2 LYS 799 2.007 4.752 -6.919
151 HD3 LYS 799 HD1 LYS 799 3.291 5.396 -5.895
152 HE2 LYS 799 HE2 LYS 799 3.262 5.269 -8.908
153 HE3 LYS 799 HE1 LYS 799 3.136 6.714 -7.909
154 HZ1 LYS 799 HZ1 LYS 799 5.346 6.610 -8.661
155 HZ2 LYS 799 HZ2 LYS 799 5.496 4.964 -8.293
156 HZ3 LYS 799 HZ3 LYS 799 5.407 6.107 -7.042
157 H CYS 800 HN CYS 800 4.449 1.066 -3.459
158 HA CYS 800 HA CYS 800 6.482 1.997 -2.007
159 HB2 CYS 800 HB2 CYS 800 5.879 -0.304 -2.299
160 HB3 CYS 800 HB1 CYS 800 6.319 -0.254 -3.993
161 H GLU 801 HN GLU 801 7.766 3.694 -2.535
162 HA GLU 801 HA GLU 801 8.638 4.349 -5.126
163 HB2 GLU 801 HB2 GLU 801 9.731 5.159 -2.431
164 HB3 GLU 801 HB1 GLU 801 10.169 5.914 -3.959
165 HG2 GLU 801 HG2 GLU 801 7.797 6.522 -4.288
166 HG3 GLU 801 HG1 GLU 801 7.437 5.852 -2.700
167 H TYR 802 HN TYR 802 9.424 1.577 -3.887
168 HA TYR 802 HA TYR 802 12.202 1.692 -4.848
169 HB2 TYR 802 HB2 TYR 802 11.685 0.751 -2.508
170 HB3 TYR 802 HB1 TYR 802 10.981 -0.625 -3.346
171 HD1 TYR 802 HD2 TYR 802 14.111 1.243 -2.766
172 HD2 TYR 802 HD1 TYR 802 12.363 -2.314 -4.313
173 HE1 TYR 802 HE2 TYR 802 16.344 0.226 -2.931
174 HE2 TYR 802 HE1 TYR 802 14.589 -3.341 -4.479
175 HH TYR 802 HH TYR 802 16.884 -2.762 -4.584
176 H CYS 803 HN CYS 803 9.137 -0.068 -5.116
177 HA CYS 803 HA CYS 803 10.073 -1.221 -7.673
178 HB2 CYS 803 HB2 CYS 803 8.349 -3.009 -7.226
179 HB3 CYS 803 HB1 CYS 803 9.697 -2.992 -6.100
180 H GLY 804 HN GLY 804 7.359 0.370 -6.109
181 HA2 GLY 804 HA2 GLY 804 6.018 1.921 -7.272
182 HA3 GLY 804 HA1 GLY 804 6.473 1.153 -8.784
183 H LYS 805 HN LYS 805 5.441 -0.829 -6.121
184 HA LYS 805 HA LYS 805 3.167 -1.671 -7.704
185 HB2 LYS 805 HB2 LYS 805 4.310 -2.710 -5.110
186 HB3 LYS 805 HB1 LYS 805 2.861 -3.365 -5.862
187 HG2 LYS 805 HG2 LYS 805 5.642 -3.345 -7.017
188 HG3 LYS 805 HG1 LYS 805 4.739 -4.745 -6.428
189 HD2 LYS 805 HD2 LYS 805 3.079 -4.433 -8.177
190 HD3 LYS 805 HD1 LYS 805 3.917 -2.989 -8.742
191 HE2 LYS 805 HE2 LYS 805 4.459 -4.835 -10.177
192 HE3 LYS 805 HE1 LYS 805 5.888 -4.377 -9.254
193 HZ1 LYS 805 HZ1 LYS 805 5.667 -6.250 -7.870
194 HZ2 LYS 805 HZ2 LYS 805 5.421 -6.830 -9.447
195 HZ3 LYS 805 HZ3 LYS 805 4.100 -6.586 -8.418
196 H TYR 806 HN TYR 806 1.075 -1.184 -7.276
197 HA TYR 806 HA TYR 806 0.646 1.037 -5.445
198 HB2 TYR 806 HB2 TYR 806 -1.001 -0.204 -7.631
199 HB3 TYR 806 HB1 TYR 806 -1.672 0.983 -6.522
200 HD1 TYR 806 HD1 TYR 806 1.151 0.478 -8.892
201 HD2 TYR 806 HD2 TYR 806 -1.480 3.254 -7.024
202 HE1 TYR 806 HE1 TYR 806 2.036 2.272 -10.317
203 HE2 TYR 806 HE2 TYR 806 -0.597 5.055 -8.445
204 HH TYR 806 HH TYR 806 1.324 5.596 -9.761
205 H ALA 807 HN ALA 807 -0.552 1.058 -3.717
206 HA ALA 807 HA ALA 807 -2.259 -1.120 -2.926
207 HB1 ALA 807 HB1 ALA 807 -0.954 -1.774 -0.963
208 HB2 ALA 807 HB2 ALA 807 0.342 -0.684 -1.454
209 HB3 ALA 807 HB3 ALA 807 -0.057 -2.084 -2.449
210 HA PRO 808 HA PRO 808 -4.018 2.075 -0.376
211 HB2 PRO 808 HB2 PRO 808 -4.179 0.029 1.771
212 HB3 PRO 808 HB1 PRO 808 -5.466 1.017 1.068
213 HG2 PRO 808 HG2 PRO 808 -5.272 -1.574 0.498
214 HG3 PRO 808 HG1 PRO 808 -5.721 -0.401 -0.756
215 HD2 PRO 808 HD2 PRO 808 -3.090 -1.739 -0.261
216 HD3 PRO 808 HD1 PRO 808 -3.904 -1.391 -1.802
217 H ALA 809 HN ALA 809 -2.978 3.585 0.683
218 HA ALA 809 HA ALA 809 -0.493 3.656 1.698
219 HB1 ALA 809 HB1 ALA 809 -1.927 5.605 1.422
220 HB2 ALA 809 HB2 ALA 809 -1.128 5.603 2.997
221 HB3 ALA 809 HB3 ALA 809 -2.828 5.148 2.868
222 H GLU 810 HN GLU 810 -3.099 2.055 3.277
223 HA GLU 810 HA GLU 810 -2.221 2.120 5.962
224 HB2 GLU 810 HB2 GLU 810 -3.926 0.131 4.492
225 HB3 GLU 810 HB1 GLU 810 -3.637 0.092 6.226
226 HG2 GLU 810 HG2 GLU 810 -5.353 1.861 4.634
227 HG3 GLU 810 HG1 GLU 810 -5.534 1.274 6.286
228 H GLN 811 HN GLN 811 -1.126 0.215 3.246
229 HA GLN 811 HA GLN 811 0.033 -1.837 4.886
230 HB2 GLN 811 HB2 GLN 811 -0.649 -2.262 2.533
231 HB3 GLN 811 HB1 GLN 811 0.598 -1.142 2.000
232 HG2 GLN 811 HG2 GLN 811 2.313 -2.595 2.964
233 HG3 GLN 811 HG1 GLN 811 1.062 -3.714 3.491
234 HE21 GLN 811 HE21 GLN 811 1.068 -2.026 0.396
235 HE22 GLN 811 HE22 GLN 811 1.293 -3.438 -0.576
236 H PHE 812 HN PHE 812 0.972 1.161 3.474
237 HA PHE 812 HA PHE 812 3.720 1.069 3.819
238 HB2 PHE 812 HB2 PHE 812 1.755 3.324 3.594
239 HB3 PHE 812 HB1 PHE 812 3.491 3.579 3.680
240 HD1 PHE 812 HD1 PHE 812 1.381 1.090 1.857
241 HD2 PHE 812 HD2 PHE 812 4.304 4.173 1.628
242 HE1 PHE 812 HE1 PHE 812 1.586 0.708 -0.567
243 HE2 PHE 812 HE2 PHE 812 4.513 3.800 -0.792
244 HZ PHE 812 HZ PHE 812 3.156 2.067 -1.893
245 H ARG 813 HN ARG 813 2.672 0.106 6.235
246 HA ARG 813 HA ARG 813 3.036 2.122 8.308
247 HB2 ARG 813 HB2 ARG 813 2.721 -0.888 8.443
248 HB3 ARG 813 HB1 ARG 813 2.803 0.181 9.838
249 HG2 ARG 813 HG2 ARG 813 0.738 1.223 9.263
250 HG3 ARG 813 HG1 ARG 813 0.699 0.410 7.697
251 HD2 ARG 813 HD2 ARG 813 0.551 -1.757 8.887
252 HD3 ARG 813 HD1 ARG 813 0.458 -0.882 10.410
253 HE ARG 813 HE ARG 813 -1.573 0.119 8.844
254 HH11 ARG 813 HH11 ARG 813 -0.643 -2.969 10.194
255 HH12 ARG 813 HH12 ARG 813 -2.256 -3.609 10.194
256 HH21 ARG 813 HH21 ARG 813 -3.710 -0.693 8.865
257 HH22 ARG 813 HH22 ARG 813 -4.007 -2.319 9.424
258 H GLY 814 HN GLY 814 4.777 2.168 9.761
259 HA2 GLY 814 HA2 GLY 814 7.043 1.831 10.293
260 HA3 GLY 814 HA1 GLY 814 7.214 0.840 8.847
261 H SER 815 HN SER 815 6.103 2.548 6.974
262 HA SER 815 HA SER 815 7.095 5.190 7.065
263 HB2 SER 815 HB2 SER 815 8.823 4.864 5.218
264 HB3 SER 815 HB1 SER 815 9.294 4.308 6.823
265 HG SER 815 HG SER 815 8.031 2.344 5.474
266 H LYS 816 HN LYS 816 5.849 6.329 5.756
267 HA LYS 816 HA LYS 816 4.065 5.022 3.902
268 HB2 LYS 816 HB2 LYS 816 4.517 7.943 4.530
269 HB3 LYS 816 HB1 LYS 816 3.237 7.331 3.495
270 HG2 LYS 816 HG2 LYS 816 3.543 6.514 6.370
271 HG3 LYS 816 HG1 LYS 816 2.578 7.898 5.856
272 HD2 LYS 816 HD2 LYS 816 1.190 6.433 4.482
273 HD3 LYS 816 HD1 LYS 816 2.172 5.044 4.958
274 HE2 LYS 816 HE2 LYS 816 1.481 5.270 7.248
275 HE3 LYS 816 HE1 LYS 816 0.647 6.781 6.893
276 HZ1 LYS 816 HZ1 LYS 816 -0.983 5.639 5.641
277 HZ2 LYS 816 HZ2 LYS 816 -0.806 4.767 7.083
278 HZ3 LYS 816 HZ3 LYS 816 -0.101 4.193 5.651
279 H ARG 817 HN ARG 817 6.345 4.305 2.884
280 HA ARG 817 HA ARG 817 7.015 6.048 0.596
281 HB2 ARG 817 HB2 ARG 817 8.913 4.889 2.634
282 HB3 ARG 817 HB1 ARG 817 9.406 5.499 1.061
283 HG2 ARG 817 HG2 ARG 817 8.049 7.116 3.206
284 HG3 ARG 817 HG1 ARG 817 9.777 7.125 2.850
285 HD2 ARG 817 HD2 ARG 817 9.290 7.911 0.578
286 HD3 ARG 817 HD1 ARG 817 7.570 7.925 0.959
287 HE ARG 817 HE ARG 817 8.887 9.504 2.857
288 HH11 ARG 817 HH11 ARG 817 8.230 9.492 -0.586
289 HH12 ARG 817 HH12 ARG 817 8.234 11.231 -0.723
290 HH21 ARG 817 HH21 ARG 817 8.836 11.795 2.695
291 HH22 ARG 817 HH22 ARG 817 8.546 12.543 1.148
292 H PHE 818 HN PHE 818 6.916 2.903 2.160
293 HA PHE 818 HA PHE 818 7.242 1.645 -0.466
294 HB2 PHE 818 HB2 PHE 818 8.535 0.623 2.050
295 HB3 PHE 818 HB1 PHE 818 8.682 -0.056 0.436
296 HD1 PHE 818 HD2 PHE 818 9.763 1.426 -1.362
297 HD2 PHE 818 HD1 PHE 818 10.081 2.176 2.816
298 HE1 PHE 818 HE2 PHE 818 11.748 2.823 -1.767
299 HE2 PHE 818 HE1 PHE 818 12.063 3.574 2.417
300 HZ PHE 818 HZ PHE 818 12.901 3.899 0.126
301 H CYS 819 HN CYS 819 6.404 -0.593 -0.455
302 HA CYS 819 HA CYS 819 4.109 -0.997 1.223
303 HB2 CYS 819 HB2 CYS 819 4.442 -3.396 0.041
304 HB3 CYS 819 HB1 CYS 819 3.684 -2.053 -0.782
305 H SER 820 HN SER 820 4.931 -3.961 1.649
306 HA SER 820 HA SER 820 5.090 -3.281 4.426
307 HB2 SER 820 HB2 SER 820 4.858 -5.735 4.709
308 HB3 SER 820 HB1 SER 820 3.637 -5.020 3.651
309 HG SER 820 HG SER 820 4.283 -6.668 2.447
310 H MET 821 HN MET 821 6.698 -6.094 4.564
311 HA MET 821 HA MET 821 8.660 -4.574 6.002
312 HB2 MET 821 HB2 MET 821 7.493 -6.824 6.623
313 HB3 MET 821 HB1 MET 821 8.804 -7.547 5.700
314 HG2 MET 821 HG2 MET 821 9.227 -5.639 7.988
315 HG3 MET 821 HG1 MET 821 9.194 -7.391 8.162
316 HE1 MET 821 HE1 MET 821 11.535 -4.653 8.301
317 HE2 MET 821 HE2 MET 821 12.954 -5.700 8.311
318 HE3 MET 821 HE3 MET 821 11.574 -6.081 9.337
319 H THR 822 HN THR 822 8.924 -7.070 3.478
320 HA THR 822 HA THR 822 11.558 -7.151 2.888
321 HB THR 822 HB THR 822 9.500 -6.859 0.709
322 HG1 THR 822 HG1 THR 822 9.852 -8.894 2.643
323 HG21 THR 822 HG21 THR 822 11.976 -8.568 0.968
324 HG22 THR 822 HG22 THR 822 11.842 -7.086 0.019
325 HG23 THR 822 HG23 THR 822 10.899 -8.507 -0.427
326 H CYS 823 HN CYS 823 9.332 -4.652 1.639
327 HA CYS 823 HA CYS 823 11.367 -3.520 0.020
328 HB2 CYS 823 HB2 CYS 823 8.632 -2.482 0.751
329 HB3 CYS 823 HB1 CYS 823 9.663 -1.834 -0.531
330 H ALA 824 HN ALA 824 9.809 -2.379 3.039
331 HA ALA 824 HA ALA 824 11.341 -0.028 3.264
332 HB1 ALA 824 HB1 ALA 824 10.722 -0.079 5.631
333 HB2 ALA 824 HB2 ALA 824 10.162 -1.742 5.451
334 HB3 ALA 824 HB3 ALA 824 9.334 -0.436 4.605
335 H LYS 825 HN LYS 825 11.818 -3.291 4.543
336 HA LYS 825 HA LYS 825 14.268 -3.007 5.785
337 HB2 LYS 825 HB2 LYS 825 12.844 -4.959 5.966
338 HB3 LYS 825 HB1 LYS 825 13.041 -5.306 4.260
339 HG2 LYS 825 HG2 LYS 825 15.489 -5.660 4.754
340 HG3 LYS 825 HG1 LYS 825 15.043 -5.610 6.463
341 HD2 LYS 825 HD2 LYS 825 13.363 -7.399 5.992
342 HD3 LYS 825 HD1 LYS 825 14.032 -7.524 4.368
343 HE2 LYS 825 HE2 LYS 825 15.034 -9.246 5.646
344 HE3 LYS 825 HE1 LYS 825 16.261 -7.995 5.440
345 HZ1 LYS 825 HZ1 LYS 825 16.065 -8.948 7.726
346 HZ2 LYS 825 HZ2 LYS 825 14.543 -8.213 7.852
347 HZ3 LYS 825 HZ3 LYS 825 15.932 -7.258 7.654
348 H ARG 826 HN ARG 826 13.523 -3.548 2.380
349 HA ARG 826 HA ARG 826 16.094 -4.235 1.547
350 HB2 ARG 826 HB2 ARG 826 14.071 -4.648 0.226
351 HB3 ARG 826 HB1 ARG 826 13.895 -2.923 -0.052
352 HG2 ARG 826 HG2 ARG 826 14.835 -3.935 -2.002
353 HG3 ARG 826 HG1 ARG 826 16.064 -2.930 -1.232
354 HD2 ARG 826 HD2 ARG 826 16.955 -4.990 -0.138
355 HD3 ARG 826 HD1 ARG 826 15.823 -5.932 -1.112
356 HE ARG 826 HE ARG 826 17.294 -4.284 -2.830
357 HH11 ARG 826 HH11 ARG 826 17.730 -7.108 -0.794
358 HH12 ARG 826 HH12 ARG 826 19.149 -7.656 -1.641
359 HH21 ARG 826 HH21 ARG 826 19.141 -5.013 -3.953
360 HH22 ARG 826 HH22 ARG 826 19.959 -6.456 -3.429
361 H TYR 827 HN TYR 827 14.600 -1.114 2.075
362 HA TYR 827 HA TYR 827 16.707 0.264 0.608
363 HB2 TYR 827 HB2 TYR 827 14.275 0.993 0.459
364 HB3 TYR 827 HB1 TYR 827 14.382 1.481 2.142
365 HD1 TYR 827 HD1 TYR 827 15.565 2.216 -1.278
366 HD2 TYR 827 HD2 TYR 827 15.374 3.561 2.754
367 HE1 TYR 827 HE1 TYR 827 16.277 4.457 -2.000
368 HE2 TYR 827 HE2 TYR 827 16.090 5.804 2.050
369 HH TYR 827 HH TYR 827 16.004 6.848 -1.105
370 H ASN 828 HN ASN 828 16.357 -1.025 3.579
371 HA ASN 828 HA ASN 828 17.668 -0.997 5.432
372 HB2 ASN 828 HB2 ASN 828 19.554 0.561 3.650
373 HB3 ASN 828 HB1 ASN 828 19.988 -0.211 5.170
374 HD21 ASN 828 HD21 ASN 828 18.313 -2.548 4.662
375 HD22 ASN 828 HD22 ASN 828 19.135 -3.478 3.460
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -16.771 -5.424 -9.201
2 H2 GLY 1 HT2 GLY 1 -17.999 -5.971 -8.166
3 H3 GLY 1 HT3 GLY 1 -16.385 -6.385 -7.860
4 HA2 GLY 1 HA1 GLY 1 -17.511 -3.639 -7.747
5 HA3 GLY 1 HA2 GLY 1 -17.113 -4.641 -6.357
6 H THR 2 HN THR 2 -15.736 -3.115 -9.236
7 HA THR 2 HA THR 2 -13.053 -3.456 -8.145
8 HB THR 2 HB THR 2 -13.571 -3.983 -10.553
9 HG1 THR 2 HG1 THR 2 -11.670 -2.479 -11.248
10 HG21 THR 2 HG21 THR 2 -15.073 -2.137 -11.053
11 HG22 THR 2 HG22 THR 2 -13.679 -2.088 -12.131
12 HG23 THR 2 HG23 THR 2 -13.778 -0.974 -10.765
13 H ARG 3 HN ARG 3 -11.556 -1.510 -8.539
14 HA ARG 3 HA ARG 3 -12.830 0.808 -7.270
15 HB2 ARG 3 HB2 ARG 3 -9.921 -0.016 -7.404
16 HB3 ARG 3 HB1 ARG 3 -10.521 1.430 -6.600
17 HG2 ARG 3 HG2 ARG 3 -11.725 0.119 -5.004
18 HG3 ARG 3 HG1 ARG 3 -11.353 -1.369 -5.875
19 HD2 ARG 3 HD2 ARG 3 -9.316 0.443 -4.590
20 HD3 ARG 3 HD1 ARG 3 -9.944 -1.042 -3.875
21 HE ARG 3 HE ARG 3 -8.827 -1.439 -6.493
22 HH11 ARG 3 HH11 ARG 3 -8.068 -1.196 -3.071
23 HH12 ARG 3 HH12 ARG 3 -6.610 -2.135 -3.216
24 HH21 ARG 3 HH21 ARG 3 -6.917 -2.676 -6.656
25 HH22 ARG 3 HH22 ARG 3 -5.959 -2.979 -5.235
26 H GLY 783 HN GLY 783 -13.267 2.480 -8.531
27 HA2 GLY 783 HA2 GLY 783 -12.265 4.199 -10.022
28 HA3 GLY 783 HA1 GLY 783 -11.644 2.857 -10.975
29 H VAL 784 HN VAL 784 -14.814 3.385 -9.498
30 HA VAL 784 HA VAL 784 -16.042 2.736 -12.083
31 HB VAL 784 HB VAL 784 -17.293 2.809 -9.329
32 HG11 VAL 784 HG11 VAL 784 -18.931 3.279 -11.048
33 HG12 VAL 784 HG12 VAL 784 -19.185 1.658 -10.401
34 HG13 VAL 784 HG13 VAL 784 -18.404 1.869 -11.968
35 HG21 VAL 784 HG21 VAL 784 -17.338 0.348 -9.533
36 HG22 VAL 784 HG22 VAL 784 -15.699 0.999 -9.496
37 HG23 VAL 784 HG23 VAL 784 -16.405 0.477 -11.026
38 H ASP 785 HN ASP 785 -16.531 4.978 -9.359
39 HA ASP 785 HA ASP 785 -18.161 6.747 -10.955
40 HB2 ASP 785 HB2 ASP 785 -18.325 8.096 -8.958
41 HB3 ASP 785 HB1 ASP 785 -18.492 6.408 -8.487
42 H SER 786 HN SER 786 -14.966 6.125 -10.723
43 HA SER 786 HA SER 786 -13.798 8.711 -10.763
44 HB2 SER 786 HB2 SER 786 -12.653 6.116 -11.799
45 HB3 SER 786 HB1 SER 786 -11.765 7.520 -11.198
46 HG SER 786 HG SER 786 -12.436 7.073 -9.142
47 HA PRO 787 HA PRO 787 -14.396 9.653 -15.074
48 HB2 PRO 787 HB2 PRO 787 -12.586 11.620 -15.338
49 HB3 PRO 787 HB1 PRO 787 -14.069 11.842 -14.402
50 HG2 PRO 787 HG2 PRO 787 -11.299 11.243 -13.448
51 HG3 PRO 787 HG1 PRO 787 -12.484 12.384 -12.789
52 HD2 PRO 787 HD2 PRO 787 -12.037 9.906 -11.738
53 HD3 PRO 787 HD1 PRO 787 -13.596 10.746 -11.624
54 H SER 788 HN SER 788 -11.419 8.545 -13.738
55 HA SER 788 HA SER 788 -10.379 7.963 -16.432
56 HB2 SER 788 HB2 SER 788 -8.738 7.755 -13.922
57 HB3 SER 788 HB1 SER 788 -8.198 8.059 -15.576
58 HG SER 788 HG SER 788 -9.294 9.807 -13.675
59 H ALA 789 HN ALA 789 -9.202 5.829 -16.582
60 HA ALA 789 HA ALA 789 -10.861 3.751 -15.554
61 HB1 ALA 789 HB1 ALA 789 -8.231 3.542 -17.016
62 HB2 ALA 789 HB2 ALA 789 -9.832 3.560 -17.751
63 HB3 ALA 789 HB3 ALA 789 -9.354 2.217 -16.715
64 H GLU 790 HN GLU 790 -7.296 3.776 -15.285
65 HA GLU 790 HA GLU 790 -7.637 2.671 -12.585
66 HB2 GLU 790 HB2 GLU 790 -5.400 2.442 -14.580
67 HB3 GLU 790 HB1 GLU 790 -5.220 1.956 -12.901
68 HG2 GLU 790 HG2 GLU 790 -7.145 0.406 -13.222
69 HG3 GLU 790 HG1 GLU 790 -7.125 0.819 -14.936
70 H LEU 791 HN LEU 791 -6.997 5.581 -13.953
71 HA LEU 791 HA LEU 791 -4.735 6.307 -12.367
72 HB2 LEU 791 HB2 LEU 791 -6.592 7.969 -14.055
73 HB3 LEU 791 HB1 LEU 791 -5.254 8.653 -13.155
74 HG LEU 791 HG LEU 791 -4.471 8.433 -15.360
75 HD11 LEU 791 HD11 LEU 791 -2.871 7.669 -13.696
76 HD12 LEU 791 HD12 LEU 791 -2.683 6.771 -15.203
77 HD13 LEU 791 HD13 LEU 791 -3.497 6.025 -13.828
78 HD21 LEU 791 HD21 LEU 791 -4.634 6.387 -16.678
79 HD22 LEU 791 HD22 LEU 791 -6.231 6.978 -16.216
80 HD23 LEU 791 HD23 LEU 791 -5.519 5.607 -15.366
81 H ASP 792 HN ASP 792 -7.985 6.052 -11.838
82 HA ASP 792 HA ASP 792 -7.769 7.629 -9.364
83 HB2 ASP 792 HB2 ASP 792 -10.212 7.082 -11.054
84 HB3 ASP 792 HB1 ASP 792 -10.285 7.743 -9.427
85 H LYS 793 HN LYS 793 -7.222 4.773 -10.251
86 HA LYS 793 HA LYS 793 -9.043 3.112 -8.847
87 HB2 LYS 793 HB2 LYS 793 -7.672 2.230 -10.654
88 HB3 LYS 793 HB1 LYS 793 -6.206 2.638 -9.776
89 HG2 LYS 793 HG2 LYS 793 -6.795 1.005 -8.050
90 HG3 LYS 793 HG1 LYS 793 -8.248 0.580 -8.958
91 HD2 LYS 793 HD2 LYS 793 -6.437 -1.021 -9.358
92 HD3 LYS 793 HD1 LYS 793 -6.873 -0.158 -10.834
93 HE2 LYS 793 HE2 LYS 793 -4.964 1.329 -10.541
94 HE3 LYS 793 HE1 LYS 793 -4.544 0.510 -9.037
95 HZ1 LYS 793 HZ1 LYS 793 -4.560 -0.723 -11.746
96 HZ2 LYS 793 HZ2 LYS 793 -4.184 -1.525 -10.296
97 HZ3 LYS 793 HZ3 LYS 793 -3.184 -0.279 -10.857
98 H LYS 794 HN LYS 794 -6.302 5.015 -7.996
99 HA LYS 794 HA LYS 794 -5.821 3.743 -5.488
100 HB2 LYS 794 HB2 LYS 794 -4.421 5.781 -5.012
101 HB3 LYS 794 HB1 LYS 794 -3.949 4.856 -6.428
102 HG2 LYS 794 HG2 LYS 794 -5.044 6.499 -7.873
103 HG3 LYS 794 HG1 LYS 794 -5.530 7.424 -6.449
104 HD2 LYS 794 HD2 LYS 794 -3.147 7.701 -5.854
105 HD3 LYS 794 HD1 LYS 794 -2.699 6.841 -7.328
106 HE2 LYS 794 HE2 LYS 794 -4.269 9.417 -7.237
107 HE3 LYS 794 HE1 LYS 794 -2.536 9.304 -7.533
108 HZ1 LYS 794 HZ1 LYS 794 -3.090 7.878 -9.482
109 HZ2 LYS 794 HZ2 LYS 794 -3.615 9.483 -9.621
110 HZ3 LYS 794 HZ3 LYS 794 -4.724 8.263 -9.246
111 H ALA 795 HN ALA 795 -7.880 3.661 -4.573
112 HA ALA 795 HA ALA 795 -9.383 6.000 -3.946
113 HB1 ALA 795 HB1 ALA 795 -10.415 3.775 -4.033
114 HB2 ALA 795 HB2 ALA 795 -10.666 4.541 -2.464
115 HB3 ALA 795 HB3 ALA 795 -9.448 3.276 -2.644
116 H ASN 796 HN ASN 796 -6.789 4.281 -2.574
117 HA ASN 796 HA ASN 796 -6.058 6.480 -0.907
118 HB2 ASN 796 HB2 ASN 796 -6.047 5.314 1.218
119 HB3 ASN 796 HB1 ASN 796 -7.679 5.259 0.563
120 HD21 ASN 796 HD21 ASN 796 -8.526 3.287 -0.127
121 HD22 ASN 796 HD22 ASN 796 -7.791 1.780 0.304
122 H LEU 797 HN LEU 797 -5.003 4.919 -3.205
123 HA LEU 797 HA LEU 797 -3.027 3.164 -2.008
124 HB2 LEU 797 HB2 LEU 797 -3.513 3.595 -4.947
125 HB3 LEU 797 HB1 LEU 797 -2.700 2.250 -4.180
126 HG LEU 797 HG LEU 797 -5.667 2.816 -4.074
127 HD11 LEU 797 HD11 LEU 797 -4.903 2.053 -6.262
128 HD12 LEU 797 HD12 LEU 797 -5.850 0.805 -5.453
129 HD13 LEU 797 HD13 LEU 797 -4.092 0.680 -5.508
130 HD21 LEU 797 HD21 LEU 797 -5.842 0.628 -3.001
131 HD22 LEU 797 HD22 LEU 797 -4.881 1.740 -2.026
132 HD23 LEU 797 HD23 LEU 797 -4.082 0.492 -2.983
133 H LEU 798 HN LEU 798 -0.900 3.435 -2.321
134 HA LEU 798 HA LEU 798 0.194 5.507 -4.071
135 HB2 LEU 798 HB2 LEU 798 1.459 6.595 -2.445
136 HB3 LEU 798 HB1 LEU 798 -0.099 6.423 -1.657
137 HG LEU 798 HG LEU 798 1.199 4.134 -0.892
138 HD11 LEU 798 HD11 LEU 798 3.410 4.747 -0.188
139 HD12 LEU 798 HD12 LEU 798 3.198 6.383 -0.814
140 HD13 LEU 798 HD13 LEU 798 3.258 5.014 -1.926
141 HD21 LEU 798 HD21 LEU 798 1.099 6.802 0.486
142 HD22 LEU 798 HD22 LEU 798 1.403 5.250 1.267
143 HD23 LEU 798 HD23 LEU 798 -0.154 5.564 0.504
144 H LYS 799 HN LYS 799 2.857 5.061 -3.776
145 HA LYS 799 HA LYS 799 2.907 2.191 -3.663
146 HB2 LYS 799 HB2 LYS 799 3.546 1.865 -5.957
147 HB3 LYS 799 HB1 LYS 799 2.238 3.050 -5.982
148 HG2 LYS 799 HG2 LYS 799 3.921 4.856 -6.090
149 HG3 LYS 799 HG1 LYS 799 5.186 3.636 -6.181
150 HD2 LYS 799 HD2 LYS 799 4.058 2.765 -8.243
151 HD3 LYS 799 HD1 LYS 799 3.004 4.178 -8.176
152 HE2 LYS 799 HE2 LYS 799 6.002 4.150 -8.497
153 HE3 LYS 799 HE1 LYS 799 4.808 4.625 -9.702
154 HZ1 LYS 799 HZ1 LYS 799 5.541 6.049 -7.202
155 HZ2 LYS 799 HZ2 LYS 799 4.142 6.421 -8.090
156 HZ3 LYS 799 HZ3 LYS 799 5.668 6.604 -8.804
157 H CYS 800 HN CYS 800 4.704 1.165 -3.474
158 HA CYS 800 HA CYS 800 6.859 2.038 -2.121
159 HB2 CYS 800 HB2 CYS 800 6.087 -0.241 -2.448
160 HB3 CYS 800 HB1 CYS 800 6.516 -0.171 -4.141
161 H GLU 801 HN GLU 801 8.052 3.827 -2.909
162 HA GLU 801 HA GLU 801 8.690 4.191 -5.652
163 HB2 GLU 801 HB2 GLU 801 9.766 5.453 -3.142
164 HB3 GLU 801 HB1 GLU 801 10.309 5.915 -4.751
165 HG2 GLU 801 HG2 GLU 801 7.520 6.134 -3.643
166 HG3 GLU 801 HG1 GLU 801 8.624 7.446 -4.047
167 H TYR 802 HN TYR 802 9.618 1.663 -4.204
168 HA TYR 802 HA TYR 802 12.357 1.725 -5.254
169 HB2 TYR 802 HB2 TYR 802 12.065 0.863 -2.906
170 HB3 TYR 802 HB1 TYR 802 11.079 -0.443 -3.556
171 HD1 TYR 802 HD2 TYR 802 14.485 0.969 -3.435
172 HD2 TYR 802 HD1 TYR 802 12.072 -2.329 -4.620
173 HE1 TYR 802 HE2 TYR 802 16.511 -0.370 -3.816
174 HE2 TYR 802 HE1 TYR 802 14.093 -3.674 -5.005
175 HH TYR 802 HH TYR 802 16.439 -3.378 -5.459
176 H CYS 803 HN CYS 803 9.304 -0.068 -5.358
177 HA CYS 803 HA CYS 803 10.150 -1.282 -7.920
178 HB2 CYS 803 HB2 CYS 803 8.485 -3.067 -7.374
179 HB3 CYS 803 HB1 CYS 803 9.795 -2.971 -6.204
180 H GLY 804 HN GLY 804 7.609 0.559 -6.383
181 HA2 GLY 804 HA2 GLY 804 6.361 2.122 -7.622
182 HA3 GLY 804 HA1 GLY 804 6.755 1.240 -9.091
183 H LYS 805 HN LYS 805 5.656 -0.608 -6.411
184 HA LYS 805 HA LYS 805 3.307 -1.312 -7.957
185 HB2 LYS 805 HB2 LYS 805 4.435 -2.510 -5.418
186 HB3 LYS 805 HB1 LYS 805 3.058 -3.143 -6.312
187 HG2 LYS 805 HG2 LYS 805 5.851 -2.872 -7.409
188 HG3 LYS 805 HG1 LYS 805 5.136 -4.362 -6.787
189 HD2 LYS 805 HD2 LYS 805 3.513 -4.404 -8.523
190 HD3 LYS 805 HD1 LYS 805 3.928 -2.768 -9.036
191 HE2 LYS 805 HE2 LYS 805 5.861 -5.075 -9.132
192 HE3 LYS 805 HE1 LYS 805 4.819 -4.630 -10.483
193 HZ1 LYS 805 HZ1 LYS 805 6.951 -3.619 -10.779
194 HZ2 LYS 805 HZ2 LYS 805 6.914 -2.941 -9.230
195 HZ3 LYS 805 HZ3 LYS 805 5.837 -2.394 -10.413
196 H TYR 806 HN TYR 806 1.235 -0.819 -7.394
197 HA TYR 806 HA TYR 806 0.913 1.256 -5.351
198 HB2 TYR 806 HB2 TYR 806 -0.999 0.259 -7.474
199 HB3 TYR 806 HB1 TYR 806 -1.296 1.598 -6.379
200 HD1 TYR 806 HD1 TYR 806 1.078 0.482 -9.021
201 HD2 TYR 806 HD2 TYR 806 -0.780 3.759 -7.050
202 HE1 TYR 806 HE1 TYR 806 2.110 2.029 -10.632
203 HE2 TYR 806 HE2 TYR 806 0.243 5.315 -8.651
204 HH TYR 806 HH TYR 806 1.976 5.487 -10.204
205 H ALA 807 HN ALA 807 -0.294 1.078 -3.616
206 HA ALA 807 HA ALA 807 -2.001 -1.198 -3.137
207 HB1 ALA 807 HB1 ALA 807 0.580 -0.902 -1.602
208 HB2 ALA 807 HB2 ALA 807 0.211 -2.172 -2.770
209 HB3 ALA 807 HB3 ALA 807 -0.697 -2.068 -1.260
210 HA PRO 808 HA PRO 808 -3.927 1.611 -0.383
211 HB2 PRO 808 HB2 PRO 808 -4.162 -0.437 1.722
212 HB3 PRO 808 HB1 PRO 808 -5.435 0.375 0.809
213 HG2 PRO 808 HG2 PRO 808 -4.841 -2.208 0.399
214 HG3 PRO 808 HG1 PRO 808 -5.339 -1.146 -0.930
215 HD2 PRO 808 HD2 PRO 808 -2.595 -2.070 -0.164
216 HD3 PRO 808 HD1 PRO 808 -3.321 -1.911 -1.780
217 H ALA 809 HN ALA 809 -3.084 3.144 0.799
218 HA ALA 809 HA ALA 809 -0.640 3.357 1.864
219 HB1 ALA 809 HB1 ALA 809 -2.175 5.211 1.605
220 HB2 ALA 809 HB2 ALA 809 -1.449 5.215 3.213
221 HB3 ALA 809 HB3 ALA 809 -3.106 4.653 2.995
222 H GLU 810 HN GLU 810 -3.309 1.782 3.440
223 HA GLU 810 HA GLU 810 -2.540 1.850 6.130
224 HB2 GLU 810 HB2 GLU 810 -4.755 1.144 5.298
225 HB3 GLU 810 HB1 GLU 810 -4.034 -0.330 4.668
226 HG2 GLU 810 HG2 GLU 810 -5.199 -0.684 6.787
227 HG3 GLU 810 HG1 GLU 810 -3.482 -1.063 6.893
228 H GLN 811 HN GLN 811 -1.541 -0.380 3.562
229 HA GLN 811 HA GLN 811 -0.227 -2.192 5.387
230 HB2 GLN 811 HB2 GLN 811 0.477 -3.389 3.491
231 HB3 GLN 811 HB1 GLN 811 -1.167 -2.863 3.170
232 HG2 GLN 811 HG2 GLN 811 -0.463 -1.244 1.638
233 HG3 GLN 811 HG1 GLN 811 1.215 -1.349 2.178
234 HE21 GLN 811 HE21 GLN 811 2.008 -1.816 0.183
235 HE22 GLN 811 HE22 GLN 811 1.735 -3.325 -0.611
236 H PHE 812 HN PHE 812 0.687 0.713 3.685
237 HA PHE 812 HA PHE 812 3.444 0.438 3.880
238 HB2 PHE 812 HB2 PHE 812 1.676 2.866 3.797
239 HB3 PHE 812 HB1 PHE 812 3.434 2.963 3.757
240 HD1 PHE 812 HD1 PHE 812 0.471 1.689 1.959
241 HD2 PHE 812 HD2 PHE 812 4.641 2.500 1.792
242 HE1 PHE 812 HE1 PHE 812 0.443 1.300 -0.469
243 HE2 PHE 812 HE2 PHE 812 4.621 2.115 -0.639
244 HZ PHE 812 HZ PHE 812 2.519 1.515 -1.771
245 H ARG 813 HN ARG 813 3.039 -0.615 6.138
246 HA ARG 813 HA ARG 813 3.116 1.109 8.437
247 HB2 ARG 813 HB2 ARG 813 3.899 -1.785 8.057
248 HB3 ARG 813 HB1 ARG 813 3.748 -0.966 9.611
249 HG2 ARG 813 HG2 ARG 813 1.413 -0.662 9.318
250 HG3 ARG 813 HG1 ARG 813 1.496 -1.187 7.637
251 HD2 ARG 813 HD2 ARG 813 2.062 -3.431 8.324
252 HD3 ARG 813 HD1 ARG 813 2.112 -2.929 10.016
253 HE ARG 813 HE ARG 813 -0.368 -2.257 9.439
254 HH11 ARG 813 HH11 ARG 813 1.367 -5.142 8.434
255 HH12 ARG 813 HH12 ARG 813 -0.055 -6.144 8.441
256 HH21 ARG 813 HH21 ARG 813 -2.236 -3.573 9.415
257 HH22 ARG 813 HH22 ARG 813 -2.099 -5.253 8.992
258 H GLY 814 HN GLY 814 5.459 -0.244 6.229
259 HA2 GLY 814 HA2 GLY 814 7.687 0.755 7.822
260 HA3 GLY 814 HA1 GLY 814 7.803 -0.106 6.291
261 H SER 815 HN SER 815 6.149 2.843 7.361
262 HA SER 815 HA SER 815 6.111 4.977 6.595
263 HB2 SER 815 HB2 SER 815 8.561 4.225 4.981
264 HB3 SER 815 HB1 SER 815 7.962 5.863 5.252
265 HG SER 815 HG SER 815 9.430 4.224 6.896
266 H LYS 816 HN LYS 816 5.060 6.079 4.985
267 HA LYS 816 HA LYS 816 3.828 4.463 2.943
268 HB2 LYS 816 HB2 LYS 816 3.575 7.301 3.862
269 HB3 LYS 816 HB1 LYS 816 2.906 6.840 2.306
270 HG2 LYS 816 HG2 LYS 816 1.198 6.782 4.021
271 HG3 LYS 816 HG1 LYS 816 1.505 5.160 3.404
272 HD2 LYS 816 HD2 LYS 816 2.935 4.712 5.362
273 HD3 LYS 816 HD1 LYS 816 2.554 6.319 5.986
274 HE2 LYS 816 HE2 LYS 816 0.226 5.747 6.188
275 HE3 LYS 816 HE1 LYS 816 0.497 4.194 5.397
276 HZ1 LYS 816 HZ1 LYS 816 1.556 5.041 8.043
277 HZ2 LYS 816 HZ2 LYS 816 1.952 3.585 7.268
278 HZ3 LYS 816 HZ3 LYS 816 0.354 3.875 7.756
279 H ARG 817 HN ARG 817 6.182 4.070 2.191
280 HA ARG 817 HA ARG 817 6.844 5.831 -0.045
281 HB2 ARG 817 HB2 ARG 817 8.791 5.098 2.158
282 HB3 ARG 817 HB1 ARG 817 9.209 5.906 0.654
283 HG2 ARG 817 HG2 ARG 817 7.985 7.858 1.280
284 HG3 ARG 817 HG1 ARG 817 7.309 7.043 2.691
285 HD2 ARG 817 HD2 ARG 817 9.092 8.507 3.387
286 HD3 ARG 817 HD1 ARG 817 9.579 6.830 3.621
287 HE ARG 817 HE ARG 817 10.441 7.856 1.095
288 HH11 ARG 817 HH11 ARG 817 11.182 7.822 4.519
289 HH12 ARG 817 HH12 ARG 817 12.874 8.128 4.286
290 HH21 ARG 817 HH21 ARG 817 12.660 8.258 0.785
291 HH22 ARG 817 HH22 ARG 817 13.717 8.380 2.161
292 H PHE 818 HN PHE 818 7.238 2.866 1.789
293 HA PHE 818 HA PHE 818 7.723 1.415 -0.717
294 HB2 PHE 818 HB2 PHE 818 9.208 0.876 1.854
295 HB3 PHE 818 HB1 PHE 818 9.421 0.038 0.325
296 HD1 PHE 818 HD2 PHE 818 10.310 1.355 -1.648
297 HD2 PHE 818 HD1 PHE 818 10.438 2.808 2.350
298 HE1 PHE 818 HE2 PHE 818 12.030 2.988 -2.299
299 HE2 PHE 818 HE1 PHE 818 12.155 4.448 1.702
300 HZ PHE 818 HZ PHE 818 12.950 4.537 -0.625
301 H CYS 819 HN CYS 819 6.642 -0.683 -0.686
302 HA CYS 819 HA CYS 819 4.392 -0.531 1.085
303 HB2 CYS 819 HB2 CYS 819 3.885 -2.761 -0.243
304 HB3 CYS 819 HB1 CYS 819 3.615 -1.173 -0.942
305 H SER 820 HN SER 820 5.252 -1.036 3.194
306 HA SER 820 HA SER 820 4.532 -2.556 4.756
307 HB2 SER 820 HB2 SER 820 3.742 -4.100 2.860
308 HB3 SER 820 HB1 SER 820 5.341 -4.848 2.970
309 HG SER 820 HG SER 820 3.299 -5.507 4.376
310 H MET 821 HN MET 821 6.250 -5.120 4.871
311 HA MET 821 HA MET 821 8.361 -3.787 6.351
312 HB2 MET 821 HB2 MET 821 7.206 -5.581 7.444
313 HB3 MET 821 HB1 MET 821 7.581 -6.687 6.125
314 HG2 MET 821 HG2 MET 821 9.034 -7.081 8.026
315 HG3 MET 821 HG1 MET 821 9.947 -6.504 6.631
316 HE1 MET 821 HE1 MET 821 12.071 -5.520 7.645
317 HE2 MET 821 HE2 MET 821 11.586 -6.410 9.091
318 HE3 MET 821 HE3 MET 821 12.120 -4.734 9.224
319 H THR 822 HN THR 822 8.330 -6.560 4.131
320 HA THR 822 HA THR 822 10.982 -6.861 3.470
321 HB THR 822 HB THR 822 8.713 -7.004 1.492
322 HG1 THR 822 HG1 THR 822 9.554 -8.787 3.563
323 HG21 THR 822 HG21 THR 822 10.067 -8.779 0.489
324 HG22 THR 822 HG22 THR 822 11.310 -8.538 1.717
325 HG23 THR 822 HG23 THR 822 10.968 -7.262 0.548
326 H CYS 823 HN CYS 823 8.782 -4.504 1.947
327 HA CYS 823 HA CYS 823 10.809 -3.602 0.158
328 HB2 CYS 823 HB2 CYS 823 8.123 -2.533 0.905
329 HB3 CYS 823 HB1 CYS 823 9.209 -1.657 -0.177
330 H ALA 824 HN ALA 824 9.596 -2.342 3.269
331 HA ALA 824 HA ALA 824 11.231 -0.045 3.308
332 HB1 ALA 824 HB1 ALA 824 10.900 -0.058 5.733
333 HB2 ALA 824 HB2 ALA 824 10.232 -1.685 5.630
334 HB3 ALA 824 HB3 ALA 824 9.386 -0.335 4.872
335 H LYS 825 HN LYS 825 11.737 -3.326 4.500
336 HA LYS 825 HA LYS 825 14.281 -3.034 5.495
337 HB2 LYS 825 HB2 LYS 825 12.943 -4.975 5.936
338 HB3 LYS 825 HB1 LYS 825 12.891 -5.399 4.236
339 HG2 LYS 825 HG2 LYS 825 15.528 -5.289 5.617
340 HG3 LYS 825 HG1 LYS 825 14.459 -6.665 5.897
341 HD2 LYS 825 HD2 LYS 825 14.363 -7.085 3.491
342 HD3 LYS 825 HD1 LYS 825 15.417 -5.701 3.202
343 HE2 LYS 825 HE2 LYS 825 17.201 -6.790 4.457
344 HE3 LYS 825 HE1 LYS 825 16.143 -8.163 4.784
345 HZ1 LYS 825 HZ1 LYS 825 17.636 -8.620 2.939
346 HZ2 LYS 825 HZ2 LYS 825 17.045 -7.275 2.092
347 HZ3 LYS 825 HZ3 LYS 825 16.026 -8.594 2.406
348 H ARG 826 HN ARG 826 13.130 -3.594 2.224
349 HA ARG 826 HA ARG 826 15.521 -4.461 1.071
350 HB2 ARG 826 HB2 ARG 826 13.280 -4.736 0.068
351 HB3 ARG 826 HB1 ARG 826 13.243 -3.015 -0.283
352 HG2 ARG 826 HG2 ARG 826 13.822 -4.281 -2.261
353 HG3 ARG 826 HG1 ARG 826 15.179 -3.274 -1.753
354 HD2 ARG 826 HD2 ARG 826 16.210 -5.222 -0.674
355 HD3 ARG 826 HD1 ARG 826 14.861 -6.225 -1.205
356 HE ARG 826 HE ARG 826 15.601 -5.565 -3.541
357 HH11 ARG 826 HH11 ARG 826 17.799 -5.860 -0.827
358 HH12 ARG 826 HH12 ARG 826 19.194 -6.124 -1.824
359 HH21 ARG 826 HH21 ARG 826 17.441 -5.931 -4.854
360 HH22 ARG 826 HH22 ARG 826 18.988 -6.187 -4.106
361 H TYR 827 HN TYR 827 14.278 -1.229 1.670
362 HA TYR 827 HA TYR 827 16.405 -0.080 0.037
363 HB2 TYR 827 HB2 TYR 827 14.023 0.803 -0.063
364 HB3 TYR 827 HB1 TYR 827 14.282 1.450 1.553
365 HD1 TYR 827 HD1 TYR 827 15.851 1.514 -1.844
366 HD2 TYR 827 HD2 TYR 827 15.031 3.624 1.758
367 HE1 TYR 827 HE1 TYR 827 16.829 3.546 -2.820
368 HE2 TYR 827 HE2 TYR 827 16.009 5.664 0.794
369 HH TYR 827 HH TYR 827 17.582 6.300 -0.961
370 H ASN 828 HN ASN 828 16.853 -1.485 2.636
371 HA ASN 828 HA ASN 828 17.845 0.590 4.365
372 HB2 ASN 828 HB2 ASN 828 18.402 -1.073 5.878
373 HB3 ASN 828 HB1 ASN 828 17.087 -1.845 5.003
374 HD21 ASN 828 HD21 ASN 828 17.610 -3.440 3.437
375 HD22 ASN 828 HD22 ASN 828 19.111 -4.298 3.512
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -19.252 0.277 10.177
2 H2 GLY 1 HT2 GLY 1 -18.074 0.766 9.063
3 H3 GLY 1 HT3 GLY 1 -19.044 -0.585 8.731
4 HA2 GLY 1 HA1 GLY 1 -21.014 0.839 8.668
5 HA3 GLY 1 HA2 GLY 1 -19.968 2.227 8.930
6 H THR 2 HN THR 2 -21.075 2.874 6.875
7 HA THR 2 HA THR 2 -20.355 1.496 4.471
8 HB THR 2 HB THR 2 -21.227 3.764 3.464
9 HG1 THR 2 HG1 THR 2 -22.900 4.420 5.247
10 HG21 THR 2 HG21 THR 2 -23.540 2.931 3.700
11 HG22 THR 2 HG22 THR 2 -22.990 1.804 4.942
12 HG23 THR 2 HG23 THR 2 -22.405 1.647 3.285
13 H ARG 3 HN ARG 3 -18.005 1.595 5.196
14 HA ARG 3 HA ARG 3 -16.723 3.596 3.531
15 HB2 ARG 3 HB2 ARG 3 -15.044 4.158 5.277
16 HB3 ARG 3 HB1 ARG 3 -16.661 4.720 5.673
17 HG2 ARG 3 HG2 ARG 3 -16.963 2.948 7.251
18 HG3 ARG 3 HG1 ARG 3 -15.452 2.183 6.750
19 HD2 ARG 3 HD2 ARG 3 -15.702 4.903 8.027
20 HD3 ARG 3 HD1 ARG 3 -15.215 3.422 8.854
21 HE ARG 3 HE ARG 3 -13.594 4.008 6.560
22 HH11 ARG 3 HH11 ARG 3 -14.062 4.772 9.953
23 HH12 ARG 3 HH12 ARG 3 -12.381 5.156 10.217
24 HH21 ARG 3 HH21 ARG 3 -11.419 4.524 6.899
25 HH22 ARG 3 HH22 ARG 3 -10.874 5.015 8.476
26 H GLY 783 HN GLY 783 -17.253 0.739 3.484
27 HA2 GLY 783 HA2 GLY 783 -16.019 -1.068 2.674
28 HA3 GLY 783 HA1 GLY 783 -14.535 -0.233 3.125
29 H VAL 784 HN VAL 784 -15.229 -3.001 3.657
30 HA VAL 784 HA VAL 784 -15.425 -2.928 6.592
31 HB VAL 784 HB VAL 784 -16.038 -5.356 6.422
32 HG11 VAL 784 HG11 VAL 784 -18.350 -4.940 5.720
33 HG12 VAL 784 HG12 VAL 784 -17.853 -3.410 4.998
34 HG13 VAL 784 HG13 VAL 784 -17.740 -3.643 6.743
35 HG21 VAL 784 HG21 VAL 784 -16.340 -4.732 3.483
36 HG22 VAL 784 HG22 VAL 784 -16.780 -6.240 4.286
37 HG23 VAL 784 HG23 VAL 784 -15.088 -5.755 4.185
38 H ASP 785 HN ASP 785 -13.224 -2.932 4.300
39 HA ASP 785 HA ASP 785 -11.053 -3.506 4.075
40 HB2 ASP 785 HB2 ASP 785 -11.431 -3.925 7.022
41 HB3 ASP 785 HB1 ASP 785 -9.893 -4.307 6.257
42 H SER 786 HN SER 786 -13.358 -5.651 4.206
43 HA SER 786 HA SER 786 -11.899 -8.083 4.516
44 HB2 SER 786 HB2 SER 786 -14.597 -7.528 3.262
45 HB3 SER 786 HB1 SER 786 -13.951 -9.135 3.600
46 HG SER 786 HG SER 786 -13.921 -8.612 5.809
47 HA PRO 787 HA PRO 787 -9.964 -8.385 0.597
48 HB2 PRO 787 HB2 PRO 787 -10.582 -11.255 0.485
49 HB3 PRO 787 HB1 PRO 787 -9.018 -10.445 0.632
50 HG2 PRO 787 HG2 PRO 787 -10.107 -11.787 2.687
51 HG3 PRO 787 HG1 PRO 787 -9.164 -10.308 2.936
52 HD2 PRO 787 HD2 PRO 787 -12.140 -10.671 2.901
53 HD3 PRO 787 HD1 PRO 787 -11.137 -9.723 4.021
54 H SER 788 HN SER 788 -12.845 -7.834 0.455
55 HA SER 788 HA SER 788 -13.491 -9.087 -2.123
56 HB2 SER 788 HB2 SER 788 -15.213 -9.238 -0.319
57 HB3 SER 788 HB1 SER 788 -15.270 -7.478 -0.263
58 HG SER 788 HG SER 788 -16.471 -9.206 -1.993
59 H ALA 789 HN ALA 789 -15.221 -6.941 -2.961
60 HA ALA 789 HA ALA 789 -13.390 -5.265 -4.277
61 HB1 ALA 789 HB1 ALA 789 -16.324 -4.804 -3.752
62 HB2 ALA 789 HB2 ALA 789 -15.635 -5.660 -5.131
63 HB3 ALA 789 HB3 ALA 789 -15.345 -3.931 -4.929
64 H GLU 790 HN GLU 790 -14.860 -5.055 -1.166
65 HA GLU 790 HA GLU 790 -14.646 -2.291 -0.697
66 HB2 GLU 790 HB2 GLU 790 -14.440 -4.479 1.363
67 HB3 GLU 790 HB1 GLU 790 -14.877 -2.800 1.624
68 HG2 GLU 790 HG2 GLU 790 -16.503 -4.672 -0.068
69 HG3 GLU 790 HG1 GLU 790 -16.762 -4.470 1.663
70 H LEU 791 HN LEU 791 -12.214 -4.775 -0.719
71 HA LEU 791 HA LEU 791 -10.565 -3.676 1.269
72 HB2 LEU 791 HB2 LEU 791 -10.392 -6.008 0.686
73 HB3 LEU 791 HB1 LEU 791 -9.998 -5.598 -0.973
74 HG LEU 791 HG LEU 791 -7.901 -4.571 -0.171
75 HD11 LEU 791 HD11 LEU 791 -8.551 -4.069 2.109
76 HD12 LEU 791 HD12 LEU 791 -7.117 -5.096 2.095
77 HD13 LEU 791 HD13 LEU 791 -8.695 -5.791 2.464
78 HD21 LEU 791 HD21 LEU 791 -8.310 -7.472 0.531
79 HD22 LEU 791 HD22 LEU 791 -6.747 -6.696 0.280
80 HD23 LEU 791 HD23 LEU 791 -7.889 -6.826 -1.057
81 H ASP 792 HN ASP 792 -10.950 -3.134 -2.070
82 HA ASP 792 HA ASP 792 -8.729 -1.205 -2.026
83 HB2 ASP 792 HB2 ASP 792 -8.531 -1.433 -4.433
84 HB3 ASP 792 HB1 ASP 792 -8.429 -3.029 -3.699
85 H LYS 793 HN LYS 793 -11.782 -1.258 -1.421
86 HA LYS 793 HA LYS 793 -12.968 0.448 -3.337
87 HB2 LYS 793 HB2 LYS 793 -14.176 -1.107 -1.725
88 HB3 LYS 793 HB1 LYS 793 -13.922 0.140 -0.510
89 HG2 LYS 793 HG2 LYS 793 -15.104 1.741 -2.035
90 HG3 LYS 793 HG1 LYS 793 -15.511 0.360 -3.056
91 HD2 LYS 793 HD2 LYS 793 -17.376 0.761 -1.627
92 HD3 LYS 793 HD1 LYS 793 -16.569 -0.699 -1.045
93 HE2 LYS 793 HE2 LYS 793 -17.120 0.654 0.850
94 HE3 LYS 793 HE1 LYS 793 -15.371 0.714 0.625
95 HZ1 LYS 793 HZ1 LYS 793 -16.244 2.907 1.083
96 HZ2 LYS 793 HZ2 LYS 793 -17.315 2.795 -0.220
97 HZ3 LYS 793 HZ3 LYS 793 -15.645 2.857 -0.500
98 H LYS 794 HN LYS 794 -10.912 0.955 -0.689
99 HA LYS 794 HA LYS 794 -11.693 3.578 0.048
100 HB2 LYS 794 HB2 LYS 794 -8.992 2.254 0.358
101 HB3 LYS 794 HB1 LYS 794 -9.564 3.663 1.238
102 HG2 LYS 794 HG2 LYS 794 -11.198 2.345 2.401
103 HG3 LYS 794 HG1 LYS 794 -10.833 0.936 1.401
104 HD2 LYS 794 HD2 LYS 794 -8.515 0.980 2.284
105 HD3 LYS 794 HD1 LYS 794 -8.991 2.280 3.375
106 HE2 LYS 794 HE2 LYS 794 -10.296 -0.435 3.306
107 HE3 LYS 794 HE1 LYS 794 -8.974 -0.012 4.392
108 HZ1 LYS 794 HZ1 LYS 794 -11.674 1.228 4.329
109 HZ2 LYS 794 HZ2 LYS 794 -10.399 1.762 5.305
110 HZ3 LYS 794 HZ3 LYS 794 -11.051 0.208 5.533
111 H ALA 795 HN ALA 795 -9.491 2.223 -2.296
112 HA ALA 795 HA ALA 795 -8.558 3.021 -4.184
113 HB1 ALA 795 HB1 ALA 795 -9.487 4.958 -5.264
114 HB2 ALA 795 HB2 ALA 795 -10.272 5.453 -3.765
115 HB3 ALA 795 HB3 ALA 795 -10.776 3.971 -4.579
116 H ASN 796 HN ASN 796 -8.026 4.444 -1.251
117 HA ASN 796 HA ASN 796 -6.243 6.525 -2.088
118 HB2 ASN 796 HB2 ASN 796 -5.563 6.462 0.399
119 HB3 ASN 796 HB1 ASN 796 -7.207 6.944 0.013
120 HD21 ASN 796 HD21 ASN 796 -5.892 3.647 0.126
121 HD22 ASN 796 HD22 ASN 796 -6.904 3.119 1.428
122 H LEU 797 HN LEU 797 -5.137 5.033 -3.604
123 HA LEU 797 HA LEU 797 -3.141 3.319 -2.305
124 HB2 LEU 797 HB2 LEU 797 -3.656 3.348 -5.245
125 HB3 LEU 797 HB1 LEU 797 -3.052 2.046 -4.247
126 HG LEU 797 HG LEU 797 -5.913 3.015 -4.319
127 HD11 LEU 797 HD11 LEU 797 -6.384 0.896 -5.420
128 HD12 LEU 797 HD12 LEU 797 -4.666 0.498 -5.410
129 HD13 LEU 797 HD13 LEU 797 -5.250 1.859 -6.367
130 HD21 LEU 797 HD21 LEU 797 -6.422 1.107 -2.938
131 HD22 LEU 797 HD22 LEU 797 -5.232 2.127 -2.127
132 HD23 LEU 797 HD23 LEU 797 -4.723 0.630 -2.913
133 H LEU 798 HN LEU 798 -1.020 3.546 -2.803
134 HA LEU 798 HA LEU 798 -0.084 5.434 -4.786
135 HB2 LEU 798 HB2 LEU 798 1.345 6.697 -3.333
136 HB3 LEU 798 HB1 LEU 798 -0.288 6.839 -2.738
137 HG LEU 798 HG LEU 798 1.112 6.702 -0.852
138 HD11 LEU 798 HD11 LEU 798 0.463 4.647 0.281
139 HD12 LEU 798 HD12 LEU 798 -0.059 3.966 -1.261
140 HD13 LEU 798 HD13 LEU 798 -0.883 5.377 -0.594
141 HD21 LEU 798 HD21 LEU 798 2.671 4.757 -0.523
142 HD22 LEU 798 HD22 LEU 798 3.143 5.946 -1.738
143 HD23 LEU 798 HD23 LEU 798 2.439 4.407 -2.240
144 H LYS 799 HN LYS 799 2.609 5.161 -4.586
145 HA LYS 799 HA LYS 799 2.802 2.314 -4.223
146 HB2 LYS 799 HB2 LYS 799 3.691 1.863 -6.449
147 HB3 LYS 799 HB1 LYS 799 2.140 2.668 -6.588
148 HG2 LYS 799 HG2 LYS 799 4.803 4.054 -6.870
149 HG3 LYS 799 HG1 LYS 799 3.845 3.446 -8.218
150 HD2 LYS 799 HD2 LYS 799 1.968 4.924 -7.369
151 HD3 LYS 799 HD1 LYS 799 3.159 5.662 -6.298
152 HE2 LYS 799 HE2 LYS 799 3.384 5.523 -9.303
153 HE3 LYS 799 HE1 LYS 799 2.806 6.921 -8.402
154 HZ1 LYS 799 HZ1 LYS 799 5.177 7.024 -9.086
155 HZ2 LYS 799 HZ2 LYS 799 5.508 5.739 -8.033
156 HZ3 LYS 799 HZ3 LYS 799 4.933 7.213 -7.419
157 H CYS 800 HN CYS 800 4.515 1.434 -3.694
158 HA CYS 800 HA CYS 800 6.494 2.514 -2.242
159 HB2 CYS 800 HB2 CYS 800 5.950 0.184 -2.278
160 HB3 CYS 800 HB1 CYS 800 6.408 0.052 -3.968
161 H GLU 801 HN GLU 801 8.036 3.958 -2.729
162 HA GLU 801 HA GLU 801 8.977 4.638 -5.256
163 HB2 GLU 801 HB2 GLU 801 9.105 5.994 -3.161
164 HB3 GLU 801 HB1 GLU 801 10.426 4.969 -2.625
165 HG2 GLU 801 HG2 GLU 801 11.763 5.687 -4.539
166 HG3 GLU 801 HG1 GLU 801 10.433 6.710 -5.083
167 H TYR 802 HN TYR 802 9.593 1.704 -3.832
168 HA TYR 802 HA TYR 802 12.312 1.594 -4.942
169 HB2 TYR 802 HB2 TYR 802 11.857 0.852 -2.517
170 HB3 TYR 802 HB1 TYR 802 11.093 -0.566 -3.224
171 HD1 TYR 802 HD2 TYR 802 14.298 1.347 -3.321
172 HD2 TYR 802 HD1 TYR 802 12.379 -2.427 -3.696
173 HE1 TYR 802 HE2 TYR 802 16.493 0.258 -3.526
174 HE2 TYR 802 HE1 TYR 802 14.568 -3.529 -3.905
175 HH TYR 802 HH TYR 802 16.820 -3.076 -4.445
176 H CYS 803 HN CYS 803 9.238 -0.207 -4.940
177 HA CYS 803 HA CYS 803 10.094 -1.459 -7.477
178 HB2 CYS 803 HB2 CYS 803 8.419 -3.258 -6.878
179 HB3 CYS 803 HB1 CYS 803 9.825 -3.177 -5.820
180 H GLY 804 HN GLY 804 7.444 0.260 -5.956
181 HA2 GLY 804 HA2 GLY 804 6.077 1.695 -7.234
182 HA3 GLY 804 HA1 GLY 804 6.465 0.739 -8.652
183 H LYS 805 HN LYS 805 5.501 -0.828 -5.710
184 HA LYS 805 HA LYS 805 3.205 -1.980 -6.983
185 HB2 LYS 805 HB2 LYS 805 4.150 -2.078 -4.109
186 HB3 LYS 805 HB1 LYS 805 2.778 -2.983 -4.729
187 HG2 LYS 805 HG2 LYS 805 4.258 -4.213 -6.225
188 HG3 LYS 805 HG1 LYS 805 5.637 -3.286 -5.625
189 HD2 LYS 805 HD2 LYS 805 5.250 -4.149 -3.374
190 HD3 LYS 805 HD1 LYS 805 3.858 -5.061 -3.953
191 HE2 LYS 805 HE2 LYS 805 6.707 -5.443 -4.866
192 HE3 LYS 805 HE1 LYS 805 5.867 -6.460 -3.695
193 HZ1 LYS 805 HZ1 LYS 805 4.201 -6.883 -5.513
194 HZ2 LYS 805 HZ2 LYS 805 5.738 -7.557 -5.749
195 HZ3 LYS 805 HZ3 LYS 805 5.296 -6.150 -6.588
196 H TYR 806 HN TYR 806 1.214 -1.125 -7.050
197 HA TYR 806 HA TYR 806 0.589 1.214 -5.415
198 HB2 TYR 806 HB2 TYR 806 -1.026 -0.169 -7.576
199 HB3 TYR 806 HB1 TYR 806 -1.520 1.287 -6.729
200 HD1 TYR 806 HD1 TYR 806 1.028 -0.077 -9.052
201 HD2 TYR 806 HD2 TYR 806 -0.834 3.405 -7.471
202 HE1 TYR 806 HE1 TYR 806 2.113 1.285 -10.785
203 HE2 TYR 806 HE2 TYR 806 0.250 4.775 -9.198
204 HH TYR 806 HH TYR 806 1.579 3.549 -11.938
205 H ALA 807 HN ALA 807 -0.493 1.105 -3.630
206 HA ALA 807 HA ALA 807 -2.255 -1.104 -3.027
207 HB1 ALA 807 HB1 ALA 807 -0.027 -2.079 -2.645
208 HB2 ALA 807 HB2 ALA 807 -0.947 -1.942 -1.148
209 HB3 ALA 807 HB3 ALA 807 0.338 -0.785 -1.504
210 HA PRO 808 HA PRO 808 -4.062 1.840 -0.317
211 HB2 PRO 808 HB2 PRO 808 -4.689 0.374 1.907
212 HB3 PRO 808 HB1 PRO 808 -5.608 0.304 0.399
213 HG2 PRO 808 HG2 PRO 808 -3.527 -1.571 1.445
214 HG3 PRO 808 HG1 PRO 808 -5.042 -1.936 0.597
215 HD2 PRO 808 HD2 PRO 808 -2.629 -1.978 -0.631
216 HD3 PRO 808 HD1 PRO 808 -4.121 -1.531 -1.477
217 H ALA 809 HN ALA 809 -3.201 3.370 0.822
218 HA ALA 809 HA ALA 809 -0.745 3.603 1.859
219 HB1 ALA 809 HB1 ALA 809 -1.540 5.472 3.200
220 HB2 ALA 809 HB2 ALA 809 -3.199 4.901 3.025
221 HB3 ALA 809 HB3 ALA 809 -2.304 5.454 1.610
222 H GLU 810 HN GLU 810 -3.409 2.026 3.405
223 HA GLU 810 HA GLU 810 -2.609 1.953 6.065
224 HB2 GLU 810 HB2 GLU 810 -4.801 1.260 5.611
225 HB3 GLU 810 HB1 GLU 810 -4.296 0.187 4.317
226 HG2 GLU 810 HG2 GLU 810 -5.007 -1.187 6.072
227 HG3 GLU 810 HG1 GLU 810 -3.248 -1.261 6.077
228 H GLN 811 HN GLN 811 -1.578 0.058 3.309
229 HA GLN 811 HA GLN 811 -0.344 -1.991 4.918
230 HB2 GLN 811 HB2 GLN 811 -1.469 -2.557 2.806
231 HB3 GLN 811 HB1 GLN 811 -0.346 -1.527 1.941
232 HG2 GLN 811 HG2 GLN 811 0.985 -3.544 3.564
233 HG3 GLN 811 HG1 GLN 811 -0.093 -4.234 2.355
234 HE21 GLN 811 HE21 GLN 811 0.292 -2.162 0.388
235 HE22 GLN 811 HE22 GLN 811 1.890 -2.340 -0.223
236 H PHE 812 HN PHE 812 0.569 0.857 3.093
237 HA PHE 812 HA PHE 812 3.325 0.560 3.198
238 HB2 PHE 812 HB2 PHE 812 1.539 2.966 3.013
239 HB3 PHE 812 HB1 PHE 812 3.296 3.101 2.971
240 HD1 PHE 812 HD1 PHE 812 0.407 1.506 1.282
241 HD2 PHE 812 HD2 PHE 812 4.479 2.700 1.014
242 HE1 PHE 812 HE1 PHE 812 0.404 0.958 -1.112
243 HE2 PHE 812 HE2 PHE 812 4.483 2.156 -1.383
244 HZ PHE 812 HZ PHE 812 2.445 1.281 -2.450
245 H ARG 813 HN ARG 813 2.851 -0.342 5.563
246 HA ARG 813 HA ARG 813 3.146 1.603 7.701
247 HB2 ARG 813 HB2 ARG 813 3.320 -1.407 7.627
248 HB3 ARG 813 HB1 ARG 813 3.449 -0.434 9.088
249 HG2 ARG 813 HG2 ARG 813 1.194 0.507 8.556
250 HG3 ARG 813 HG1 ARG 813 1.080 -0.676 7.256
251 HD2 ARG 813 HD2 ARG 813 1.167 -2.488 8.805
252 HD3 ARG 813 HD1 ARG 813 1.542 -1.398 10.142
253 HE ARG 813 HE ARG 813 -1.022 -1.193 8.697
254 HH11 ARG 813 HH11 ARG 813 0.795 -1.554 11.673
255 HH12 ARG 813 HH12 ARG 813 -0.621 -1.494 12.688
256 HH21 ARG 813 HH21 ARG 813 -2.874 -1.071 10.021
257 HH22 ARG 813 HH22 ARG 813 -2.704 -1.226 11.752
258 H GLY 814 HN GLY 814 5.145 1.013 5.358
259 HA2 GLY 814 HA2 GLY 814 7.551 1.138 7.007
260 HA3 GLY 814 HA1 GLY 814 7.481 1.239 5.246
261 H SER 815 HN SER 815 5.515 3.005 7.535
262 HA SER 815 HA SER 815 5.047 5.207 7.800
263 HB2 SER 815 HB2 SER 815 7.999 5.591 7.228
264 HB3 SER 815 HB1 SER 815 6.938 6.729 8.061
265 HG SER 815 HG SER 815 8.025 5.584 9.621
266 H LYS 816 HN LYS 816 4.490 4.177 5.290
267 HA LYS 816 HA LYS 816 3.668 4.909 3.306
268 HB2 LYS 816 HB2 LYS 816 3.705 7.445 4.921
269 HB3 LYS 816 HB1 LYS 816 3.148 7.445 3.257
270 HG2 LYS 816 HG2 LYS 816 1.284 7.300 4.802
271 HG3 LYS 816 HG1 LYS 816 1.407 5.838 3.826
272 HD2 LYS 816 HD2 LYS 816 2.349 4.613 5.645
273 HD3 LYS 816 HD1 LYS 816 2.530 6.081 6.612
274 HE2 LYS 816 HE2 LYS 816 -0.113 4.962 5.680
275 HE3 LYS 816 HE1 LYS 816 0.594 4.658 7.269
276 HZ1 LYS 816 HZ1 LYS 816 0.571 7.067 7.661
277 HZ2 LYS 816 HZ2 LYS 816 -0.987 6.448 7.407
278 HZ3 LYS 816 HZ3 LYS 816 -0.203 7.305 6.170
279 H ARG 817 HN ARG 817 6.110 4.350 2.926
280 HA ARG 817 HA ARG 817 7.159 6.381 1.105
281 HB2 ARG 817 HB2 ARG 817 8.611 5.156 3.442
282 HB3 ARG 817 HB1 ARG 817 9.495 5.620 1.997
283 HG2 ARG 817 HG2 ARG 817 7.729 7.551 3.460
284 HG3 ARG 817 HG1 ARG 817 9.412 7.281 3.917
285 HD2 ARG 817 HD2 ARG 817 8.478 8.110 1.171
286 HD3 ARG 817 HD1 ARG 817 9.117 9.209 2.393
287 HE ARG 817 HE ARG 817 11.180 7.693 2.255
288 HH11 ARG 817 HH11 ARG 817 9.067 8.413 -0.446
289 HH12 ARG 817 HH12 ARG 817 10.328 8.236 -1.640
290 HH21 ARG 817 HH21 ARG 817 12.830 7.426 0.667
291 HH22 ARG 817 HH22 ARG 817 12.431 7.632 -1.018
292 H PHE 818 HN PHE 818 7.340 3.185 2.508
293 HA PHE 818 HA PHE 818 7.511 2.037 -0.176
294 HB2 PHE 818 HB2 PHE 818 9.025 1.085 2.264
295 HB3 PHE 818 HB1 PHE 818 9.025 0.317 0.677
296 HD1 PHE 818 HD2 PHE 818 9.956 1.589 -1.288
297 HD2 PHE 818 HD1 PHE 818 10.480 2.853 2.743
298 HE1 PHE 818 HE2 PHE 818 11.868 2.971 -1.974
299 HE2 PHE 818 HE1 PHE 818 12.398 4.235 2.063
300 HZ PHE 818 HZ PHE 818 12.970 4.434 -0.339
301 H CYS 819 HN CYS 819 6.677 -0.188 -0.167
302 HA CYS 819 HA CYS 819 4.375 -0.536 1.522
303 HB2 CYS 819 HB2 CYS 819 4.597 -2.901 0.230
304 HB3 CYS 819 HB1 CYS 819 3.904 -1.489 -0.543
305 H SER 820 HN SER 820 4.968 -3.530 1.869
306 HA SER 820 HA SER 820 5.336 -2.916 4.623
307 HB2 SER 820 HB2 SER 820 4.965 -5.425 4.843
308 HB3 SER 820 HB1 SER 820 3.688 -4.505 4.044
309 HG SER 820 HG SER 820 3.945 -5.982 2.559
310 H MET 821 HN MET 821 6.732 -5.688 5.072
311 HA MET 821 HA MET 821 8.974 -4.193 6.008
312 HB2 MET 821 HB2 MET 821 8.184 -7.067 6.238
313 HB3 MET 821 HB1 MET 821 9.710 -6.470 6.871
314 HG2 MET 821 HG2 MET 821 7.150 -5.141 7.633
315 HG3 MET 821 HG1 MET 821 7.637 -6.641 8.413
316 HE1 MET 821 HE1 MET 821 9.930 -3.375 7.356
317 HE2 MET 821 HE2 MET 821 9.653 -2.521 8.871
318 HE3 MET 821 HE3 MET 821 8.292 -2.912 7.821
319 H THR 822 HN THR 822 8.738 -7.006 3.846
320 HA THR 822 HA THR 822 11.315 -7.397 3.029
321 HB THR 822 HB THR 822 9.035 -7.239 1.066
322 HG1 THR 822 HG1 THR 822 9.650 -9.367 2.878
323 HG21 THR 822 HG21 THR 822 11.278 -7.734 0.171
324 HG22 THR 822 HG22 THR 822 10.183 -9.106 0.007
325 HG23 THR 822 HG23 THR 822 11.404 -9.100 1.279
326 H CYS 823 HN CYS 823 9.121 -4.961 1.650
327 HA CYS 823 HA CYS 823 11.080 -4.035 -0.182
328 HB2 CYS 823 HB2 CYS 823 8.410 -2.948 0.661
329 HB3 CYS 823 HB1 CYS 823 9.405 -2.211 -0.594
330 H ALA 824 HN ALA 824 9.721 -2.533 2.784
331 HA ALA 824 HA ALA 824 11.208 -0.177 2.674
332 HB1 ALA 824 HB1 ALA 824 10.731 0.023 5.051
333 HB2 ALA 824 HB2 ALA 824 10.223 -1.666 5.099
334 HB3 ALA 824 HB3 ALA 824 9.304 -0.495 4.153
335 H LYS 825 HN LYS 825 11.963 -3.294 4.283
336 HA LYS 825 HA LYS 825 14.312 -2.394 5.533
337 HB2 LYS 825 HB2 LYS 825 14.765 -4.638 6.090
338 HB3 LYS 825 HB1 LYS 825 13.015 -4.505 6.076
339 HG2 LYS 825 HG2 LYS 825 12.931 -5.564 3.892
340 HG3 LYS 825 HG1 LYS 825 14.692 -5.644 3.848
341 HD2 LYS 825 HD2 LYS 825 12.936 -7.002 5.895
342 HD3 LYS 825 HD1 LYS 825 13.660 -7.787 4.492
343 HE2 LYS 825 HE2 LYS 825 15.216 -6.433 6.696
344 HE3 LYS 825 HE1 LYS 825 14.916 -8.167 6.600
345 HZ1 LYS 825 HZ1 LYS 825 17.063 -7.750 5.722
346 HZ2 LYS 825 HZ2 LYS 825 16.502 -6.509 4.715
347 HZ3 LYS 825 HZ3 LYS 825 16.062 -8.114 4.403
348 H ARG 826 HN ARG 826 13.701 -3.651 2.303
349 HA ARG 826 HA ARG 826 16.392 -4.322 1.797
350 HB2 ARG 826 HB2 ARG 826 14.463 -5.305 0.584
351 HB3 ARG 826 HB1 ARG 826 14.194 -3.759 -0.205
352 HG2 ARG 826 HG2 ARG 826 16.272 -3.929 -1.384
353 HG3 ARG 826 HG1 ARG 826 16.716 -5.380 -0.481
354 HD2 ARG 826 HD2 ARG 826 14.852 -6.587 -1.458
355 HD3 ARG 826 HD1 ARG 826 14.326 -5.135 -2.303
356 HE ARG 826 HE ARG 826 16.875 -5.511 -3.178
357 HH11 ARG 826 HH11 ARG 826 14.040 -7.553 -3.027
358 HH12 ARG 826 HH12 ARG 826 14.427 -8.436 -4.470
359 HH21 ARG 826 HH21 ARG 826 17.405 -6.671 -5.077
360 HH22 ARG 826 HH22 ARG 826 16.345 -7.924 -5.649
361 H TYR 827 HN TYR 827 14.608 -1.408 1.695
362 HA TYR 827 HA TYR 827 16.597 -0.019 0.069
363 HB2 TYR 827 HB2 TYR 827 14.171 0.574 -0.138
364 HB3 TYR 827 HB1 TYR 827 14.184 1.097 1.540
365 HD1 TYR 827 HD1 TYR 827 15.472 1.848 -1.843
366 HD2 TYR 827 HD2 TYR 827 14.995 3.250 2.148
367 HE1 TYR 827 HE1 TYR 827 16.156 4.097 -2.559
368 HE2 TYR 827 HE2 TYR 827 15.675 5.505 1.442
369 HH TYR 827 HH TYR 827 16.965 6.564 -0.341
370 H ASN 828 HN ASN 828 16.070 -0.928 3.253
371 HA ASN 828 HA ASN 828 17.329 -0.718 5.121
372 HB2 ASN 828 HB2 ASN 828 19.132 0.790 3.241
373 HB3 ASN 828 HB1 ASN 828 19.479 0.711 4.962
374 HD21 ASN 828 HD21 ASN 828 17.963 -1.933 3.287
375 HD22 ASN 828 HD22 ASN 828 19.323 -3.003 3.333
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -20.435 -9.311 -11.327
2 H2 GLY 1 HT2 GLY 1 -19.614 -10.793 -11.213
3 H3 GLY 1 HT3 GLY 1 -19.690 -9.969 -12.698
4 HA2 GLY 1 HA1 GLY 1 -17.517 -9.717 -11.662
5 HA3 GLY 1 HA2 GLY 1 -18.358 -8.183 -11.855
6 H THR 2 HN THR 2 -16.284 -9.309 -9.902
7 HA THR 2 HA THR 2 -17.685 -9.007 -7.369
8 HB THR 2 HB THR 2 -14.724 -9.432 -7.837
9 HG1 THR 2 HG1 THR 2 -16.621 -11.433 -7.108
10 HG21 THR 2 HG21 THR 2 -15.298 -8.566 -5.614
11 HG22 THR 2 HG22 THR 2 -14.729 -10.233 -5.522
12 HG23 THR 2 HG23 THR 2 -16.453 -9.881 -5.400
13 H ARG 3 HN ARG 3 -18.252 -6.872 -7.188
14 HA ARG 3 HA ARG 3 -16.155 -4.854 -7.484
15 HB2 ARG 3 HB2 ARG 3 -18.407 -4.398 -8.438
16 HB3 ARG 3 HB1 ARG 3 -19.086 -4.487 -6.818
17 HG2 ARG 3 HG2 ARG 3 -17.759 -2.566 -6.135
18 HG3 ARG 3 HG1 ARG 3 -17.023 -2.493 -7.738
19 HD2 ARG 3 HD2 ARG 3 -19.254 -2.108 -8.712
20 HD3 ARG 3 HD1 ARG 3 -19.943 -2.120 -7.088
21 HE ARG 3 HE ARG 3 -17.849 -0.220 -7.255
22 HH11 ARG 3 HH11 ARG 3 -21.168 -0.735 -8.240
23 HH12 ARG 3 HH12 ARG 3 -21.548 0.959 -8.307
24 HH21 ARG 3 HH21 ARG 3 -18.345 2.020 -7.327
25 HH22 ARG 3 HH22 ARG 3 -19.948 2.528 -7.786
26 H GLY 783 HN GLY 783 -18.294 -6.299 -5.083
27 HA2 GLY 783 HA2 GLY 783 -16.561 -6.315 -2.978
28 HA3 GLY 783 HA1 GLY 783 -17.274 -4.711 -2.914
29 H VAL 784 HN VAL 784 -17.564 -7.857 -1.889
30 HA VAL 784 HA VAL 784 -20.467 -7.717 -1.534
31 HB VAL 784 HB VAL 784 -18.607 -10.008 -0.863
32 HG11 VAL 784 HG11 VAL 784 -20.695 -10.033 0.397
33 HG12 VAL 784 HG12 VAL 784 -20.654 -11.343 -0.783
34 HG13 VAL 784 HG13 VAL 784 -21.612 -9.897 -1.102
35 HG21 VAL 784 HG21 VAL 784 -20.324 -9.585 -3.308
36 HG22 VAL 784 HG22 VAL 784 -19.445 -11.063 -2.916
37 HG23 VAL 784 HG23 VAL 784 -18.562 -9.575 -3.253
38 H ASP 785 HN ASP 785 -20.586 -6.161 0.058
39 HA ASP 785 HA ASP 785 -20.756 -5.334 2.154
40 HB2 ASP 785 HB2 ASP 785 -21.598 -7.581 2.744
41 HB3 ASP 785 HB1 ASP 785 -19.949 -8.097 3.087
42 H SER 786 HN SER 786 -19.371 -3.851 2.722
43 HA SER 786 HA SER 786 -16.634 -3.927 2.335
44 HB2 SER 786 HB2 SER 786 -18.163 -2.247 4.336
45 HB3 SER 786 HB1 SER 786 -16.556 -1.894 3.697
46 HG SER 786 HG SER 786 -17.398 -1.221 1.876
47 HA PRO 787 HA PRO 787 -15.398 -6.440 5.854
48 HB2 PRO 787 HB2 PRO 787 -12.781 -6.608 5.213
49 HB3 PRO 787 HB1 PRO 787 -14.019 -7.538 4.362
50 HG2 PRO 787 HG2 PRO 787 -12.657 -5.000 3.542
51 HG3 PRO 787 HG1 PRO 787 -13.055 -6.423 2.564
52 HD2 PRO 787 HD2 PRO 787 -14.550 -4.135 2.574
53 HD3 PRO 787 HD1 PRO 787 -15.221 -5.741 2.229
54 H SER 788 HN SER 788 -14.568 -3.278 5.046
55 HA SER 788 HA SER 788 -13.900 -2.600 7.756
56 HB2 SER 788 HB2 SER 788 -11.871 -2.186 5.539
57 HB3 SER 788 HB1 SER 788 -11.756 -1.479 7.149
58 HG SER 788 HG SER 788 -12.172 -4.160 7.265
59 H ALA 789 HN ALA 789 -14.162 -0.374 8.139
60 HA ALA 789 HA ALA 789 -15.995 0.876 6.306
61 HB1 ALA 789 HB1 ALA 789 -16.356 0.978 8.719
62 HB2 ALA 789 HB2 ALA 789 -16.226 2.592 8.018
63 HB3 ALA 789 HB3 ALA 789 -14.866 1.902 8.905
64 H GLU 790 HN GLU 790 -12.727 1.568 7.488
65 HA GLU 790 HA GLU 790 -12.479 3.868 5.739
66 HB2 GLU 790 HB2 GLU 790 -10.468 2.469 7.508
67 HB3 GLU 790 HB1 GLU 790 -10.134 3.924 6.581
68 HG2 GLU 790 HG2 GLU 790 -12.111 3.625 8.829
69 HG3 GLU 790 HG1 GLU 790 -10.576 4.493 8.876
70 H LEU 791 HN LEU 791 -10.979 0.677 6.087
71 HA LEU 791 HA LEU 791 -9.765 0.863 3.476
72 HB2 LEU 791 HB2 LEU 791 -9.921 -1.409 5.459
73 HB3 LEU 791 HB1 LEU 791 -9.034 -1.478 3.947
74 HG LEU 791 HG LEU 791 -8.460 0.412 6.228
75 HD11 LEU 791 HD11 LEU 791 -6.415 -0.914 6.490
76 HD12 LEU 791 HD12 LEU 791 -6.988 -2.028 5.248
77 HD13 LEU 791 HD13 LEU 791 -7.867 -1.876 6.769
78 HD21 LEU 791 HD21 LEU 791 -7.934 1.404 4.073
79 HD22 LEU 791 HD22 LEU 791 -7.021 -0.033 3.618
80 HD23 LEU 791 HD23 LEU 791 -6.457 0.987 4.941
81 H ASP 792 HN ASP 792 -12.352 1.261 3.085
82 HA ASP 792 HA ASP 792 -13.924 -1.050 2.646
83 HB2 ASP 792 HB2 ASP 792 -15.092 1.001 2.886
84 HB3 ASP 792 HB1 ASP 792 -14.122 1.788 1.645
85 H LYS 793 HN LYS 793 -12.717 -2.522 1.483
86 HA LYS 793 HA LYS 793 -12.342 -3.709 -0.420
87 HB2 LYS 793 HB2 LYS 793 -13.584 -1.325 -1.770
88 HB3 LYS 793 HB1 LYS 793 -13.225 -2.852 -2.571
89 HG2 LYS 793 HG2 LYS 793 -14.756 -3.980 -0.939
90 HG3 LYS 793 HG1 LYS 793 -15.208 -2.381 -0.349
91 HD2 LYS 793 HD2 LYS 793 -15.470 -3.195 -3.234
92 HD3 LYS 793 HD1 LYS 793 -16.758 -3.424 -2.052
93 HE2 LYS 793 HE2 LYS 793 -15.476 -0.760 -2.599
94 HE3 LYS 793 HE1 LYS 793 -16.901 -1.337 -3.459
95 HZ1 LYS 793 HZ1 LYS 793 -16.658 -0.824 -0.541
96 HZ2 LYS 793 HZ2 LYS 793 -18.007 -1.558 -1.261
97 HZ3 LYS 793 HZ3 LYS 793 -17.596 0.040 -1.659
98 H LYS 794 HN LYS 794 -11.001 -0.840 0.300
99 HA LYS 794 HA LYS 794 -8.925 0.009 0.079
100 HB2 LYS 794 HB2 LYS 794 -8.448 -2.359 -1.724
101 HB3 LYS 794 HB1 LYS 794 -7.242 -1.104 -1.472
102 HG2 LYS 794 HG2 LYS 794 -6.598 -2.701 0.046
103 HG3 LYS 794 HG1 LYS 794 -7.573 -1.624 1.041
104 HD2 LYS 794 HD2 LYS 794 -8.299 -3.742 1.669
105 HD3 LYS 794 HD1 LYS 794 -9.511 -3.240 0.490
106 HE2 LYS 794 HE2 LYS 794 -7.113 -4.858 -0.312
107 HE3 LYS 794 HE1 LYS 794 -8.566 -5.624 0.326
108 HZ1 LYS 794 HZ1 LYS 794 -8.541 -5.564 -2.101
109 HZ2 LYS 794 HZ2 LYS 794 -8.474 -3.872 -2.080
110 HZ3 LYS 794 HZ3 LYS 794 -9.838 -4.674 -1.473
111 H ALA 795 HN ALA 795 -8.832 1.891 -0.782
112 HA ALA 795 HA ALA 795 -8.687 2.376 -3.585
113 HB1 ALA 795 HB1 ALA 795 -11.205 3.269 -2.171
114 HB2 ALA 795 HB2 ALA 795 -11.105 2.011 -3.404
115 HB3 ALA 795 HB3 ALA 795 -10.734 3.684 -3.820
116 H ASN 796 HN ASN 796 -6.880 2.955 -1.934
117 HA ASN 796 HA ASN 796 -6.732 5.815 -1.838
118 HB2 ASN 796 HB2 ASN 796 -6.049 5.835 0.614
119 HB3 ASN 796 HB1 ASN 796 -7.764 5.573 0.327
120 HD21 ASN 796 HD21 ASN 796 -8.697 3.658 0.925
121 HD22 ASN 796 HD22 ASN 796 -7.862 2.448 1.835
122 H LEU 797 HN LEU 797 -5.223 4.749 -3.512
123 HA LEU 797 HA LEU 797 -3.153 3.099 -2.306
124 HB2 LEU 797 HB2 LEU 797 -3.593 3.514 -5.240
125 HB3 LEU 797 HB1 LEU 797 -2.829 2.165 -4.426
126 HG LEU 797 HG LEU 797 -5.786 2.781 -4.400
127 HD11 LEU 797 HD11 LEU 797 -5.992 0.769 -5.763
128 HD12 LEU 797 HD12 LEU 797 -4.236 0.607 -5.795
129 HD13 LEU 797 HD13 LEU 797 -5.009 1.991 -6.568
130 HD21 LEU 797 HD21 LEU 797 -4.324 0.386 -3.294
131 HD22 LEU 797 HD22 LEU 797 -6.068 0.664 -3.277
132 HD23 LEU 797 HD23 LEU 797 -5.001 1.700 -2.328
133 H LEU 798 HN LEU 798 -1.055 3.472 -2.612
134 HA LEU 798 HA LEU 798 -0.051 5.594 -4.312
135 HB2 LEU 798 HB2 LEU 798 1.231 6.683 -2.646
136 HB3 LEU 798 HB1 LEU 798 -0.393 6.593 -1.998
137 HG LEU 798 HG LEU 798 0.610 4.363 -0.905
138 HD11 LEU 798 HD11 LEU 798 2.802 4.789 -2.007
139 HD12 LEU 798 HD12 LEU 798 2.886 4.650 -0.247
140 HD13 LEU 798 HD13 LEU 798 2.962 6.239 -1.013
141 HD21 LEU 798 HD21 LEU 798 1.003 7.154 0.130
142 HD22 LEU 798 HD22 LEU 798 0.969 5.682 1.102
143 HD23 LEU 798 HD23 LEU 798 -0.479 6.210 0.245
144 H LYS 799 HN LYS 799 2.650 5.213 -3.953
145 HA LYS 799 HA LYS 799 2.802 2.349 -3.730
146 HB2 LYS 799 HB2 LYS 799 3.283 1.843 -5.952
147 HB3 LYS 799 HB1 LYS 799 2.087 3.128 -6.081
148 HG2 LYS 799 HG2 LYS 799 5.061 3.537 -6.311
149 HG3 LYS 799 HG1 LYS 799 3.963 3.351 -7.677
150 HD2 LYS 799 HD2 LYS 799 2.756 5.354 -6.995
151 HD3 LYS 799 HD1 LYS 799 3.813 5.525 -5.592
152 HE2 LYS 799 HE2 LYS 799 4.523 7.027 -7.348
153 HE3 LYS 799 HE1 LYS 799 5.738 5.775 -7.098
154 HZ1 LYS 799 HZ1 LYS 799 5.344 6.186 -9.442
155 HZ2 LYS 799 HZ2 LYS 799 3.704 5.803 -9.263
156 HZ3 LYS 799 HZ3 LYS 799 4.885 4.608 -9.034
157 H CYS 800 HN CYS 800 4.502 1.427 -3.316
158 HA CYS 800 HA CYS 800 6.632 2.280 -2.004
159 HB2 CYS 800 HB2 CYS 800 5.769 0.017 -2.382
160 HB3 CYS 800 HB1 CYS 800 6.412 0.041 -4.009
161 H GLU 801 HN GLU 801 7.934 3.996 -2.754
162 HA GLU 801 HA GLU 801 8.636 4.339 -5.493
163 HB2 GLU 801 HB2 GLU 801 9.471 5.670 -2.947
164 HB3 GLU 801 HB1 GLU 801 10.291 6.038 -4.462
165 HG2 GLU 801 HG2 GLU 801 7.316 6.231 -4.081
166 HG3 GLU 801 HG1 GLU 801 8.426 7.582 -3.867
167 H TYR 802 HN TYR 802 9.580 1.821 -3.983
168 HA TYR 802 HA TYR 802 12.300 1.964 -5.075
169 HB2 TYR 802 HB2 TYR 802 12.324 1.141 -2.787
170 HB3 TYR 802 HB1 TYR 802 11.082 -0.050 -3.159
171 HD1 TYR 802 HD2 TYR 802 14.593 0.901 -3.851
172 HD2 TYR 802 HD1 TYR 802 11.667 -2.190 -3.989
173 HE1 TYR 802 HE2 TYR 802 16.351 -0.731 -4.380
174 HE2 TYR 802 HE1 TYR 802 13.423 -3.834 -4.511
175 HH TYR 802 HH TYR 802 15.674 -3.890 -5.480
176 H CYS 803 HN CYS 803 9.413 -0.124 -5.050
177 HA CYS 803 HA CYS 803 10.359 -1.302 -7.585
178 HB2 CYS 803 HB2 CYS 803 8.739 -3.172 -6.997
179 HB3 CYS 803 HB1 CYS 803 10.151 -3.041 -5.953
180 H GLY 804 HN GLY 804 7.725 0.415 -6.090
181 HA2 GLY 804 HA2 GLY 804 6.539 1.988 -7.366
182 HA3 GLY 804 HA1 GLY 804 6.944 1.088 -8.816
183 H LYS 805 HN LYS 805 5.719 -0.739 -6.163
184 HA LYS 805 HA LYS 805 3.396 -1.345 -7.777
185 HB2 LYS 805 HB2 LYS 805 4.480 -2.583 -5.251
186 HB3 LYS 805 HB1 LYS 805 2.948 -3.064 -5.974
187 HG2 LYS 805 HG2 LYS 805 4.244 -3.521 -8.096
188 HG3 LYS 805 HG1 LYS 805 5.709 -3.327 -7.130
189 HD2 LYS 805 HD2 LYS 805 5.077 -5.157 -5.705
190 HD3 LYS 805 HD1 LYS 805 3.501 -5.281 -6.494
191 HE2 LYS 805 HE2 LYS 805 4.696 -5.805 -8.625
192 HE3 LYS 805 HE1 LYS 805 6.203 -5.850 -7.710
193 HZ1 LYS 805 HZ1 LYS 805 5.252 -8.065 -8.028
194 HZ2 LYS 805 HZ2 LYS 805 3.843 -7.583 -7.212
195 HZ3 LYS 805 HZ3 LYS 805 5.319 -7.650 -6.382
196 H TYR 806 HN TYR 806 1.351 -0.819 -7.335
197 HA TYR 806 HA TYR 806 0.878 1.237 -5.292
198 HB2 TYR 806 HB2 TYR 806 -0.677 0.291 -7.696
199 HB3 TYR 806 HB1 TYR 806 -1.360 1.377 -6.491
200 HD1 TYR 806 HD1 TYR 806 1.229 1.045 -9.110
201 HD2 TYR 806 HD2 TYR 806 -0.769 3.688 -6.435
202 HE1 TYR 806 HE1 TYR 806 2.216 2.967 -10.283
203 HE2 TYR 806 HE2 TYR 806 0.211 5.621 -7.603
204 HH TYR 806 HH TYR 806 1.716 5.387 -10.624
205 H ALA 807 HN ALA 807 -0.407 1.048 -3.658
206 HA ALA 807 HA ALA 807 -2.061 -1.259 -3.178
207 HB1 ALA 807 HB1 ALA 807 0.473 -0.917 -1.565
208 HB2 ALA 807 HB2 ALA 807 0.196 -2.172 -2.772
209 HB3 ALA 807 HB3 ALA 807 -0.780 -2.134 -1.303
210 HA PRO 808 HA PRO 808 -3.975 1.523 -0.310
211 HB2 PRO 808 HB2 PRO 808 -4.372 0.014 1.944
212 HB3 PRO 808 HB1 PRO 808 -5.383 -0.090 0.501
213 HG2 PRO 808 HG2 PRO 808 -3.137 -1.856 1.374
214 HG3 PRO 808 HG1 PRO 808 -4.691 -2.295 0.638
215 HD2 PRO 808 HD2 PRO 808 -2.398 -2.219 -0.781
216 HD3 PRO 808 HD1 PRO 808 -3.966 -1.784 -1.496
217 H ALA 809 HN ALA 809 -3.098 3.119 0.749
218 HA ALA 809 HA ALA 809 -0.599 3.440 1.695
219 HB1 ALA 809 HB1 ALA 809 -1.390 5.342 2.979
220 HB2 ALA 809 HB2 ALA 809 -3.042 4.733 2.892
221 HB3 ALA 809 HB3 ALA 809 -2.216 5.249 1.422
222 H GLU 810 HN GLU 810 -3.146 1.819 3.294
223 HA GLU 810 HA GLU 810 -2.314 1.928 5.995
224 HB2 GLU 810 HB2 GLU 810 -4.509 1.049 4.660
225 HB3 GLU 810 HB1 GLU 810 -3.746 -0.472 5.113
226 HG2 GLU 810 HG2 GLU 810 -5.390 0.351 6.756
227 HG3 GLU 810 HG1 GLU 810 -3.774 0.123 7.421
228 H GLN 811 HN GLN 811 -1.313 -0.040 3.294
229 HA GLN 811 HA GLN 811 -0.202 -2.160 4.852
230 HB2 GLN 811 HB2 GLN 811 -0.869 -2.425 2.462
231 HB3 GLN 811 HB1 GLN 811 0.461 -1.368 2.011
232 HG2 GLN 811 HG2 GLN 811 2.032 -2.980 3.052
233 HG3 GLN 811 HG1 GLN 811 0.673 -4.056 3.348
234 HE21 GLN 811 HE21 GLN 811 1.156 -2.125 0.428
235 HE22 GLN 811 HE22 GLN 811 1.397 -3.471 -0.631
236 H PHE 812 HN PHE 812 0.914 0.897 3.627
237 HA PHE 812 HA PHE 812 3.656 0.456 3.940
238 HB2 PHE 812 HB2 PHE 812 2.084 3.027 3.829
239 HB3 PHE 812 HB1 PHE 812 3.833 2.900 3.672
240 HD1 PHE 812 HD1 PHE 812 0.651 1.765 2.118
241 HD2 PHE 812 HD2 PHE 812 4.805 2.524 1.598
242 HE1 PHE 812 HE1 PHE 812 0.411 1.395 -0.299
243 HE2 PHE 812 HE2 PHE 812 4.569 2.154 -0.823
244 HZ PHE 812 HZ PHE 812 2.369 1.588 -1.775
245 H ARG 813 HN ARG 813 3.171 -0.536 6.213
246 HA ARG 813 HA ARG 813 3.041 1.281 8.464
247 HB2 ARG 813 HB2 ARG 813 3.773 -1.637 8.243
248 HB3 ARG 813 HB1 ARG 813 3.654 -0.754 9.758
249 HG2 ARG 813 HG2 ARG 813 1.416 -1.223 7.800
250 HG3 ARG 813 HG1 ARG 813 1.651 -2.055 9.338
251 HD2 ARG 813 HD2 ARG 813 1.454 0.130 10.499
252 HD3 ARG 813 HD1 ARG 813 1.102 0.886 8.945
253 HE ARG 813 HE ARG 813 -0.599 -1.281 9.981
254 HH11 ARG 813 HH11 ARG 813 -0.208 2.045 8.920
255 HH12 ARG 813 HH12 ARG 813 -1.922 2.327 8.800
256 HH21 ARG 813 HH21 ARG 813 -2.845 -0.890 9.806
257 HH22 ARG 813 HH22 ARG 813 -3.397 0.685 9.310
258 H GLY 814 HN GLY 814 5.596 -0.360 6.671
259 HA2 GLY 814 HA2 GLY 814 7.642 0.670 8.448
260 HA3 GLY 814 HA1 GLY 814 7.901 -0.272 6.984
261 H SER 815 HN SER 815 6.427 2.836 7.840
262 HA SER 815 HA SER 815 6.657 4.945 7.002
263 HB2 SER 815 HB2 SER 815 9.109 4.589 7.002
264 HB3 SER 815 HB1 SER 815 8.990 3.851 5.406
265 HG SER 815 HG SER 815 7.973 6.446 5.858
266 H LYS 816 HN LYS 816 5.795 6.090 5.349
267 HA LYS 816 HA LYS 816 4.033 4.539 3.707
268 HB2 LYS 816 HB2 LYS 816 3.747 6.870 4.961
269 HB3 LYS 816 HB1 LYS 816 4.273 7.495 3.405
270 HG2 LYS 816 HG2 LYS 816 1.870 7.479 3.509
271 HG3 LYS 816 HG1 LYS 816 2.416 6.296 2.322
272 HD2 LYS 816 HD2 LYS 816 0.583 5.437 3.730
273 HD3 LYS 816 HD1 LYS 816 2.060 4.490 3.901
274 HE2 LYS 816 HE2 LYS 816 2.576 5.803 5.961
275 HE3 LYS 816 HE1 LYS 816 0.998 6.572 5.809
276 HZ1 LYS 816 HZ1 LYS 816 0.954 4.713 7.362
277 HZ2 LYS 816 HZ2 LYS 816 1.460 3.657 6.145
278 HZ3 LYS 816 HZ3 LYS 816 -0.053 4.411 6.034
279 H ARG 817 HN ARG 817 7.059 4.754 3.140
280 HA ARG 817 HA ARG 817 7.102 5.854 0.423
281 HB2 ARG 817 HB2 ARG 817 9.219 4.918 2.347
282 HB3 ARG 817 HB1 ARG 817 9.553 5.319 0.669
283 HG2 ARG 817 HG2 ARG 817 8.925 7.593 1.007
284 HG3 ARG 817 HG1 ARG 817 8.314 7.239 2.625
285 HD2 ARG 817 HD2 ARG 817 11.188 6.871 1.790
286 HD3 ARG 817 HD1 ARG 817 10.572 8.329 2.571
287 HE ARG 817 HE ARG 817 9.788 6.511 4.320
288 HH11 ARG 817 HH11 ARG 817 12.901 6.761 2.674
289 HH12 ARG 817 HH12 ARG 817 13.777 6.025 3.993
290 HH21 ARG 817 HH21 ARG 817 10.946 5.557 6.010
291 HH22 ARG 817 HH22 ARG 817 12.665 5.336 5.880
292 H PHE 818 HN PHE 818 7.127 2.815 2.185
293 HA PHE 818 HA PHE 818 7.551 1.369 -0.333
294 HB2 PHE 818 HB2 PHE 818 8.975 0.785 2.269
295 HB3 PHE 818 HB1 PHE 818 9.145 -0.125 0.773
296 HD1 PHE 818 HD2 PHE 818 9.901 1.276 -1.299
297 HD2 PHE 818 HD1 PHE 818 10.467 2.464 2.744
298 HE1 PHE 818 HE2 PHE 818 11.748 2.744 -1.994
299 HE2 PHE 818 HE1 PHE 818 12.315 3.933 2.058
300 HZ PHE 818 HZ PHE 818 12.842 4.202 -0.336
301 H CYS 819 HN CYS 819 6.511 -0.657 -0.409
302 HA CYS 819 HA CYS 819 4.152 -0.727 1.217
303 HB2 CYS 819 HB2 CYS 819 3.919 -2.951 -0.215
304 HB3 CYS 819 HB1 CYS 819 3.577 -1.367 -0.894
305 H SER 820 HN SER 820 4.971 -1.222 3.334
306 HA SER 820 HA SER 820 4.552 -2.737 4.898
307 HB2 SER 820 HB2 SER 820 3.771 -4.428 3.198
308 HB3 SER 820 HB1 SER 820 5.445 -4.961 3.045
309 HG SER 820 HG SER 820 3.640 -5.299 5.152
310 H MET 821 HN MET 821 6.529 -4.883 5.561
311 HA MET 821 HA MET 821 8.796 -3.067 5.809
312 HB2 MET 821 HB2 MET 821 8.243 -5.662 7.237
313 HB3 MET 821 HB1 MET 821 9.710 -4.709 7.437
314 HG2 MET 821 HG2 MET 821 8.421 -4.049 9.220
315 HG3 MET 821 HG1 MET 821 8.136 -2.787 8.028
316 HE1 MET 821 HE1 MET 821 6.308 -3.295 10.597
317 HE2 MET 821 HE2 MET 821 4.707 -3.066 9.895
318 HE3 MET 821 HE3 MET 821 6.034 -2.000 9.434
319 H THR 822 HN THR 822 8.241 -6.355 4.562
320 HA THR 822 HA THR 822 10.807 -7.031 3.750
321 HB THR 822 HB THR 822 8.370 -7.328 1.987
322 HG1 THR 822 HG1 THR 822 8.657 -9.540 3.302
323 HG21 THR 822 HG21 THR 822 10.510 -7.921 0.942
324 HG22 THR 822 HG22 THR 822 9.514 -9.351 1.211
325 HG23 THR 822 HG23 THR 822 10.867 -9.004 2.288
326 H CYS 823 HN CYS 823 8.667 -4.770 2.068
327 HA CYS 823 HA CYS 823 10.622 -4.223 0.023
328 HB2 CYS 823 HB2 CYS 823 7.985 -3.056 0.758
329 HB3 CYS 823 HB1 CYS 823 9.050 -2.243 -0.392
330 H ALA 824 HN ALA 824 9.577 -2.663 3.009
331 HA ALA 824 HA ALA 824 11.039 -0.310 2.838
332 HB1 ALA 824 HB1 ALA 824 9.304 -0.697 4.468
333 HB2 ALA 824 HB2 ALA 824 10.805 -0.181 5.242
334 HB3 ALA 824 HB3 ALA 824 10.327 -1.878 5.289
335 H LYS 825 HN LYS 825 11.966 -3.483 4.142
336 HA LYS 825 HA LYS 825 14.458 -2.814 5.124
337 HB2 LYS 825 HB2 LYS 825 13.655 -5.455 3.888
338 HB3 LYS 825 HB1 LYS 825 15.002 -5.199 4.984
339 HG2 LYS 825 HG2 LYS 825 12.069 -5.024 5.596
340 HG3 LYS 825 HG1 LYS 825 13.243 -6.183 6.215
341 HD2 LYS 825 HD2 LYS 825 13.159 -3.231 6.790
342 HD3 LYS 825 HD1 LYS 825 12.714 -4.525 7.901
343 HE2 LYS 825 HE2 LYS 825 15.452 -3.903 6.802
344 HE3 LYS 825 HE1 LYS 825 14.915 -3.763 8.472
345 HZ1 LYS 825 HZ1 LYS 825 16.152 -5.735 8.353
346 HZ2 LYS 825 HZ2 LYS 825 15.414 -6.230 6.915
347 HZ3 LYS 825 HZ3 LYS 825 14.534 -6.251 8.365
348 H ARG 826 HN ARG 826 13.330 -3.757 1.969
349 HA ARG 826 HA ARG 826 15.769 -4.469 0.766
350 HB2 ARG 826 HB2 ARG 826 13.389 -5.037 0.043
351 HB3 ARG 826 HB1 ARG 826 13.344 -3.441 -0.691
352 HG2 ARG 826 HG2 ARG 826 13.894 -4.920 -2.424
353 HG3 ARG 826 HG1 ARG 826 15.405 -4.123 -1.987
354 HD2 ARG 826 HD2 ARG 826 14.561 -6.826 -0.952
355 HD3 ARG 826 HD1 ARG 826 15.589 -6.592 -2.362
356 HE ARG 826 HE ARG 826 16.337 -5.698 0.354
357 HH11 ARG 826 HH11 ARG 826 17.136 -7.209 -2.713
358 HH12 ARG 826 HH12 ARG 826 18.822 -7.392 -2.315
359 HH21 ARG 826 HH21 ARG 826 18.528 -5.971 0.871
360 HH22 ARG 826 HH22 ARG 826 19.604 -6.700 -0.283
361 H TYR 827 HN TYR 827 14.184 -1.431 1.277
362 HA TYR 827 HA TYR 827 15.312 0.211 -0.592
363 HB2 TYR 827 HB2 TYR 827 13.634 0.918 1.008
364 HB3 TYR 827 HB1 TYR 827 14.805 0.809 2.318
365 HD1 TYR 827 HD1 TYR 827 15.047 2.304 -1.103
366 HD2 TYR 827 HD2 TYR 827 15.191 2.954 3.102
367 HE1 TYR 827 HE1 TYR 827 15.647 4.656 -1.492
368 HE2 TYR 827 HE2 TYR 827 15.797 5.307 2.719
369 HH TYR 827 HH TYR 827 16.777 6.712 0.986
370 H ASN 828 HN ASN 828 16.652 -0.946 2.474
371 HA ASN 828 HA ASN 828 19.349 -0.351 1.764
372 HB2 ASN 828 HB2 ASN 828 19.829 1.252 3.563
373 HB3 ASN 828 HB1 ASN 828 18.691 1.910 2.400
374 HD21 ASN 828 HD21 ASN 828 16.368 0.550 3.428
375 HD22 ASN 828 HD22 ASN 828 15.988 1.287 4.946
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -25.472 -4.291 -4.278
2 H2 GLY 1 HT2 GLY 1 -27.156 -4.273 -4.123
3 H3 GLY 1 HT3 GLY 1 -26.190 -4.639 -2.781
4 HA2 GLY 1 HA1 GLY 1 -26.436 -2.026 -4.161
5 HA3 GLY 1 HA2 GLY 1 -26.972 -2.417 -2.533
6 H THR 2 HN THR 2 -25.639 -0.542 -1.940
7 HA THR 2 HA THR 2 -22.804 -0.657 -2.347
8 HB THR 2 HB THR 2 -24.465 1.143 -0.569
9 HG1 THR 2 HG1 THR 2 -24.142 1.080 -3.200
10 HG21 THR 2 HG21 THR 2 -22.161 0.996 0.247
11 HG22 THR 2 HG22 THR 2 -22.475 2.576 -0.469
12 HG23 THR 2 HG23 THR 2 -21.560 1.370 -1.370
13 H ARG 3 HN ARG 3 -21.560 -2.030 -1.311
14 HA ARG 3 HA ARG 3 -22.090 -2.595 1.534
15 HB2 ARG 3 HB2 ARG 3 -20.595 -4.213 -0.541
16 HB3 ARG 3 HB1 ARG 3 -20.618 -4.601 1.172
17 HG2 ARG 3 HG2 ARG 3 -23.043 -4.903 1.068
18 HG3 ARG 3 HG1 ARG 3 -23.009 -4.524 -0.656
19 HD2 ARG 3 HD2 ARG 3 -21.618 -6.450 -1.092
20 HD3 ARG 3 HD1 ARG 3 -21.511 -6.800 0.631
21 HE ARG 3 HE ARG 3 -24.088 -7.013 0.377
22 HH11 ARG 3 HH11 ARG 3 -21.693 -7.987 -1.978
23 HH12 ARG 3 HH12 ARG 3 -22.645 -9.288 -2.620
24 HH21 ARG 3 HH21 ARG 3 -25.357 -8.725 -0.440
25 HH22 ARG 3 HH22 ARG 3 -24.736 -9.724 -1.728
26 H GLY 783 HN GLY 783 -21.060 -0.572 2.073
27 HA2 GLY 783 HA2 GLY 783 -18.186 -0.425 1.446
28 HA3 GLY 783 HA1 GLY 783 -19.189 0.922 1.961
29 H VAL 784 HN VAL 784 -19.489 -2.116 3.560
30 HA VAL 784 HA VAL 784 -18.075 -1.004 5.891
31 HB VAL 784 HB VAL 784 -20.424 -2.912 5.945
32 HG11 VAL 784 HG11 VAL 784 -20.437 -2.481 8.351
33 HG12 VAL 784 HG12 VAL 784 -19.014 -1.453 8.178
34 HG13 VAL 784 HG13 VAL 784 -18.902 -3.180 7.834
35 HG21 VAL 784 HG21 VAL 784 -21.717 -1.020 6.828
36 HG22 VAL 784 HG22 VAL 784 -21.142 -0.716 5.189
37 HG23 VAL 784 HG23 VAL 784 -20.333 0.039 6.560
38 H ASP 785 HN ASP 785 -16.132 -1.958 5.461
39 HA ASP 785 HA ASP 785 -14.510 -3.529 5.538
40 HB2 ASP 785 HB2 ASP 785 -15.696 -4.096 7.682
41 HB3 ASP 785 HB1 ASP 785 -16.578 -5.339 6.798
42 H SER 786 HN SER 786 -14.585 -3.575 3.236
43 HA SER 786 HA SER 786 -15.274 -6.210 2.196
44 HB2 SER 786 HB2 SER 786 -16.367 -3.637 1.032
45 HB3 SER 786 HB1 SER 786 -16.442 -5.206 0.231
46 HG SER 786 HG SER 786 -17.377 -5.219 2.818
47 HA PRO 787 HA PRO 787 -11.242 -5.368 0.518
48 HB2 PRO 787 HB2 PRO 787 -10.979 -7.692 -0.876
49 HB3 PRO 787 HB1 PRO 787 -10.763 -7.576 0.873
50 HG2 PRO 787 HG2 PRO 787 -13.145 -8.496 -0.686
51 HG3 PRO 787 HG1 PRO 787 -12.431 -9.192 0.781
52 HD2 PRO 787 HD2 PRO 787 -14.635 -7.635 0.842
53 HD3 PRO 787 HD1 PRO 787 -13.445 -7.648 2.159
54 H SER 788 HN SER 788 -14.039 -6.168 -1.443
55 HA SER 788 HA SER 788 -12.710 -4.930 -3.764
56 HB2 SER 788 HB2 SER 788 -15.145 -6.731 -3.665
57 HB3 SER 788 HB1 SER 788 -14.500 -5.986 -5.126
58 HG SER 788 HG SER 788 -12.746 -7.506 -3.549
59 H ALA 789 HN ALA 789 -15.607 -4.871 -1.758
60 HA ALA 789 HA ALA 789 -16.835 -2.845 -3.414
61 HB1 ALA 789 HB1 ALA 789 -17.830 -4.072 -0.852
62 HB2 ALA 789 HB2 ALA 789 -18.164 -4.678 -2.473
63 HB3 ALA 789 HB3 ALA 789 -18.766 -3.094 -1.985
64 H GLU 790 HN GLU 790 -14.434 -2.517 -1.309
65 HA GLU 790 HA GLU 790 -15.459 0.098 -0.422
66 HB2 GLU 790 HB2 GLU 790 -13.414 -1.696 0.840
67 HB3 GLU 790 HB1 GLU 790 -13.476 0.022 1.193
68 HG2 GLU 790 HG2 GLU 790 -15.907 -0.354 1.827
69 HG3 GLU 790 HG1 GLU 790 -15.530 -2.076 1.790
70 H LEU 791 HN LEU 791 -13.933 -0.970 -2.933
71 HA LEU 791 HA LEU 791 -11.443 0.436 -2.701
72 HB2 LEU 791 HB2 LEU 791 -12.763 -0.839 -5.095
73 HB3 LEU 791 HB1 LEU 791 -11.171 -0.106 -5.131
74 HG LEU 791 HG LEU 791 -11.979 -2.516 -3.503
75 HD11 LEU 791 HD11 LEU 791 -10.155 -2.255 -5.888
76 HD12 LEU 791 HD12 LEU 791 -11.768 -2.966 -5.893
77 HD13 LEU 791 HD13 LEU 791 -10.470 -3.731 -4.975
78 HD21 LEU 791 HD21 LEU 791 -9.312 -1.128 -3.746
79 HD22 LEU 791 HD22 LEU 791 -9.594 -2.667 -2.934
80 HD23 LEU 791 HD23 LEU 791 -10.329 -1.191 -2.307
81 H ASP 792 HN ASP 792 -14.359 1.507 -2.827
82 HA ASP 792 HA ASP 792 -13.798 3.851 -4.519
83 HB2 ASP 792 HB2 ASP 792 -16.226 4.314 -4.260
84 HB3 ASP 792 HB1 ASP 792 -15.907 2.788 -5.076
85 H LYS 793 HN LYS 793 -12.756 3.223 -1.802
86 HA LYS 793 HA LYS 793 -13.401 5.663 -0.462
87 HB2 LYS 793 HB2 LYS 793 -15.356 4.266 0.111
88 HB3 LYS 793 HB1 LYS 793 -14.282 3.038 0.761
89 HG2 LYS 793 HG2 LYS 793 -13.717 4.341 2.608
90 HG3 LYS 793 HG1 LYS 793 -14.289 5.828 1.849
91 HD2 LYS 793 HD2 LYS 793 -15.861 5.099 3.552
92 HD3 LYS 793 HD1 LYS 793 -16.596 4.985 1.953
93 HE2 LYS 793 HE2 LYS 793 -17.218 3.001 3.012
94 HE3 LYS 793 HE1 LYS 793 -15.860 2.533 1.990
95 HZ1 LYS 793 HZ1 LYS 793 -14.425 2.787 3.983
96 HZ2 LYS 793 HZ2 LYS 793 -15.563 1.543 4.115
97 HZ3 LYS 793 HZ3 LYS 793 -15.817 3.020 4.915
98 H LYS 794 HN LYS 794 -12.103 2.384 -0.046
99 HA LYS 794 HA LYS 794 -9.949 3.433 1.608
100 HB2 LYS 794 HB2 LYS 794 -10.549 0.588 0.809
101 HB3 LYS 794 HB1 LYS 794 -9.230 1.083 1.865
102 HG2 LYS 794 HG2 LYS 794 -12.188 1.259 2.397
103 HG3 LYS 794 HG1 LYS 794 -10.984 0.292 3.248
104 HD2 LYS 794 HD2 LYS 794 -11.241 3.300 3.254
105 HD3 LYS 794 HD1 LYS 794 -11.541 2.205 4.602
106 HE2 LYS 794 HE2 LYS 794 -8.871 2.605 3.253
107 HE3 LYS 794 HE1 LYS 794 -9.364 3.374 4.758
108 HZ1 LYS 794 HZ1 LYS 794 -7.981 1.390 5.079
109 HZ2 LYS 794 HZ2 LYS 794 -9.177 0.440 4.354
110 HZ3 LYS 794 HZ3 LYS 794 -9.505 1.242 5.810
111 H ALA 795 HN ALA 795 -9.997 4.279 -1.086
112 HA ALA 795 HA ALA 795 -8.100 2.775 -2.588
113 HB1 ALA 795 HB1 ALA 795 -9.709 4.059 -3.813
114 HB2 ALA 795 HB2 ALA 795 -8.107 4.728 -4.121
115 HB3 ALA 795 HB3 ALA 795 -9.205 5.543 -3.008
116 H ASN 796 HN ASN 796 -7.762 6.177 -1.995
117 HA ASN 796 HA ASN 796 -5.823 7.386 -1.692
118 HB2 ASN 796 HB2 ASN 796 -5.067 7.156 0.729
119 HB3 ASN 796 HB1 ASN 796 -6.765 7.525 0.465
120 HD21 ASN 796 HD21 ASN 796 -4.494 5.047 1.375
121 HD22 ASN 796 HD22 ASN 796 -5.627 4.026 2.192
122 H LEU 797 HN LEU 797 -4.846 5.752 -3.412
123 HA LEU 797 HA LEU 797 -2.978 3.857 -2.282
124 HB2 LEU 797 HB2 LEU 797 -3.491 4.518 -5.163
125 HB3 LEU 797 HB1 LEU 797 -2.721 3.084 -4.528
126 HG LEU 797 HG LEU 797 -5.627 3.741 -4.055
127 HD11 LEU 797 HD11 LEU 797 -6.121 2.135 -5.831
128 HD12 LEU 797 HD12 LEU 797 -4.398 1.994 -6.182
129 HD13 LEU 797 HD13 LEU 797 -5.230 3.527 -6.449
130 HD21 LEU 797 HD21 LEU 797 -4.044 1.187 -3.805
131 HD22 LEU 797 HD22 LEU 797 -5.780 1.352 -3.543
132 HD23 LEU 797 HD23 LEU 797 -4.646 2.171 -2.469
133 H LEU 798 HN LEU 798 -0.842 3.917 -2.640
134 HA LEU 798 HA LEU 798 0.380 5.889 -4.344
135 HB2 LEU 798 HB2 LEU 798 1.921 6.777 -2.714
136 HB3 LEU 798 HB1 LEU 798 0.291 7.093 -2.186
137 HG LEU 798 HG LEU 798 1.553 6.586 -0.268
138 HD11 LEU 798 HD11 LEU 798 -0.020 4.131 -0.989
139 HD12 LEU 798 HD12 LEU 798 -0.628 5.588 -0.203
140 HD13 LEU 798 HD13 LEU 798 0.534 4.556 0.630
141 HD21 LEU 798 HD21 LEU 798 2.578 4.223 -1.789
142 HD22 LEU 798 HD22 LEU 798 2.790 4.418 -0.047
143 HD23 LEU 798 HD23 LEU 798 3.488 5.597 -1.159
144 H LYS 799 HN LYS 799 3.010 5.217 -4.136
145 HA LYS 799 HA LYS 799 2.846 2.341 -3.917
146 HB2 LYS 799 HB2 LYS 799 3.782 1.905 -6.135
147 HB3 LYS 799 HB1 LYS 799 2.323 2.875 -6.298
148 HG2 LYS 799 HG2 LYS 799 3.630 4.863 -6.643
149 HG3 LYS 799 HG1 LYS 799 5.121 3.982 -6.326
150 HD2 LYS 799 HD2 LYS 799 4.830 2.665 -8.314
151 HD3 LYS 799 HD1 LYS 799 3.230 3.360 -8.592
152 HE2 LYS 799 HE2 LYS 799 5.792 4.948 -8.553
153 HE3 LYS 799 HE1 LYS 799 5.035 4.325 -10.018
154 HZ1 LYS 799 HZ1 LYS 799 4.484 6.670 -9.522
155 HZ2 LYS 799 HZ2 LYS 799 3.697 6.165 -8.107
156 HZ3 LYS 799 HZ3 LYS 799 3.120 5.666 -9.623
157 H CYS 800 HN CYS 800 4.456 1.256 -3.457
158 HA CYS 800 HA CYS 800 6.614 1.971 -2.052
159 HB2 CYS 800 HB2 CYS 800 5.765 -0.260 -2.264
160 HB3 CYS 800 HB1 CYS 800 6.131 -0.293 -3.981
161 H GLU 801 HN GLU 801 8.136 3.459 -2.635
162 HA GLU 801 HA GLU 801 8.974 4.121 -5.232
163 HB2 GLU 801 HB2 GLU 801 9.238 5.496 -3.135
164 HB3 GLU 801 HB1 GLU 801 10.578 4.450 -2.693
165 HG2 GLU 801 HG2 GLU 801 11.601 5.107 -4.940
166 HG3 GLU 801 HG1 GLU 801 10.398 6.395 -4.966
167 H TYR 802 HN TYR 802 9.495 1.211 -3.853
168 HA TYR 802 HA TYR 802 12.214 0.961 -4.900
169 HB2 TYR 802 HB2 TYR 802 11.853 0.152 -2.575
170 HB3 TYR 802 HB1 TYR 802 10.632 -0.967 -3.160
171 HD1 TYR 802 HD2 TYR 802 14.225 -0.266 -2.960
172 HD2 TYR 802 HD1 TYR 802 11.262 -3.015 -4.284
173 HE1 TYR 802 HE2 TYR 802 15.959 -1.981 -3.260
174 HE2 TYR 802 HE1 TYR 802 12.990 -4.738 -4.584
175 HH TYR 802 HH TYR 802 15.479 -4.810 -4.984
176 H CYS 803 HN CYS 803 9.051 -0.661 -5.072
177 HA CYS 803 HA CYS 803 9.887 -1.751 -7.685
178 HB2 CYS 803 HB2 CYS 803 8.091 -3.503 -7.197
179 HB3 CYS 803 HB1 CYS 803 9.552 -3.588 -6.215
180 H GLY 804 HN GLY 804 7.333 0.073 -6.113
181 HA2 GLY 804 HA2 GLY 804 6.127 1.653 -7.393
182 HA3 GLY 804 HA1 GLY 804 6.445 0.694 -8.828
183 H LYS 805 HN LYS 805 5.334 -0.993 -6.038
184 HA LYS 805 HA LYS 805 2.918 -1.762 -7.411
185 HB2 LYS 805 HB2 LYS 805 3.786 -2.405 -4.586
186 HB3 LYS 805 HB1 LYS 805 2.509 -3.203 -5.492
187 HG2 LYS 805 HG2 LYS 805 5.443 -3.253 -6.159
188 HG3 LYS 805 HG1 LYS 805 4.529 -4.551 -5.397
189 HD2 LYS 805 HD2 LYS 805 3.811 -3.447 -8.101
190 HD3 LYS 805 HD1 LYS 805 4.977 -4.750 -7.897
191 HE2 LYS 805 HE2 LYS 805 2.973 -5.858 -8.335
192 HE3 LYS 805 HE1 LYS 805 3.136 -5.951 -6.584
193 HZ1 LYS 805 HZ1 LYS 805 1.529 -3.848 -7.926
194 HZ2 LYS 805 HZ2 LYS 805 1.494 -4.303 -6.292
195 HZ3 LYS 805 HZ3 LYS 805 0.881 -5.345 -7.474
196 H TYR 806 HN TYR 806 0.957 -0.874 -7.187
197 HA TYR 806 HA TYR 806 0.626 1.342 -5.296
198 HB2 TYR 806 HB2 TYR 806 -1.164 0.336 -7.520
199 HB3 TYR 806 HB1 TYR 806 -1.562 1.678 -6.461
200 HD1 TYR 806 HD2 TYR 806 -0.390 3.807 -6.656
201 HD2 TYR 806 HD1 TYR 806 0.439 0.583 -9.310
202 HE1 TYR 806 HE2 TYR 806 0.719 5.367 -8.197
203 HE2 TYR 806 HE1 TYR 806 1.548 2.136 -10.860
204 HH TYR 806 HH TYR 806 1.496 4.555 -11.389
205 H ALA 807 HN ALA 807 -0.617 1.297 -3.583
206 HA ALA 807 HA ALA 807 -2.415 -0.906 -3.050
207 HB1 ALA 807 HB1 ALA 807 -0.284 -1.969 -2.567
208 HB2 ALA 807 HB2 ALA 807 -1.154 -1.689 -1.060
209 HB3 ALA 807 HB3 ALA 807 0.187 -0.634 -1.516
210 HA PRO 808 HA PRO 808 -4.297 2.091 -0.361
211 HB2 PRO 808 HB2 PRO 808 -4.699 -0.089 1.609
212 HB3 PRO 808 HB1 PRO 808 -5.889 0.939 0.804
213 HG2 PRO 808 HG2 PRO 808 -5.634 -1.623 0.120
214 HG3 PRO 808 HG1 PRO 808 -5.941 -0.376 -1.109
215 HD2 PRO 808 HD2 PRO 808 -3.361 -1.723 -0.383
216 HD3 PRO 808 HD1 PRO 808 -4.017 -1.344 -1.989
217 H ALA 809 HN ALA 809 -3.308 3.458 0.904
218 HA ALA 809 HA ALA 809 -0.802 3.378 1.873
219 HB1 ALA 809 HB1 ALA 809 -3.035 4.834 3.261
220 HB2 ALA 809 HB2 ALA 809 -2.207 5.379 1.802
221 HB3 ALA 809 HB3 ALA 809 -1.318 5.234 3.320
222 H GLU 810 HN GLU 810 -3.432 1.775 3.485
223 HA GLU 810 HA GLU 810 -2.335 1.588 6.087
224 HB2 GLU 810 HB2 GLU 810 -4.276 -0.172 4.594
225 HB3 GLU 810 HB1 GLU 810 -3.814 -0.466 6.262
226 HG2 GLU 810 HG2 GLU 810 -5.869 0.675 6.326
227 HG3 GLU 810 HG1 GLU 810 -4.637 1.847 6.787
228 H GLN 811 HN GLN 811 -1.544 -0.072 3.144
229 HA GLN 811 HA GLN 811 -0.407 -2.326 4.562
230 HB2 GLN 811 HB2 GLN 811 -1.603 -2.849 2.545
231 HB3 GLN 811 HB1 GLN 811 -0.702 -1.665 1.623
232 HG2 GLN 811 HG2 GLN 811 1.045 -3.642 2.798
233 HG3 GLN 811 HG1 GLN 811 -0.214 -4.387 1.816
234 HE21 GLN 811 HE21 GLN 811 1.092 -1.193 1.198
235 HE22 GLN 811 HE22 GLN 811 1.857 -1.594 -0.289
236 H PHE 812 HN PHE 812 0.498 0.694 4.146
237 HA PHE 812 HA PHE 812 3.252 0.155 3.315
238 HB2 PHE 812 HB2 PHE 812 1.666 2.719 3.413
239 HB3 PHE 812 HB1 PHE 812 3.415 2.686 3.178
240 HD1 PHE 812 HD1 PHE 812 0.182 1.689 1.731
241 HD2 PHE 812 HD2 PHE 812 4.368 2.075 1.096
242 HE1 PHE 812 HE1 PHE 812 -0.159 1.362 -0.682
243 HE2 PHE 812 HE2 PHE 812 4.034 1.744 -1.314
244 HZ PHE 812 HZ PHE 812 1.798 1.223 -2.186
245 H ARG 813 HN ARG 813 3.232 -0.944 5.406
246 HA ARG 813 HA ARG 813 3.360 0.569 7.820
247 HB2 ARG 813 HB2 ARG 813 4.363 -2.213 7.187
248 HB3 ARG 813 HB1 ARG 813 4.242 -1.524 8.799
249 HG2 ARG 813 HG2 ARG 813 1.934 -2.018 6.932
250 HG3 ARG 813 HG1 ARG 813 2.387 -3.028 8.307
251 HD2 ARG 813 HD2 ARG 813 1.558 -0.133 8.443
252 HD3 ARG 813 HD1 ARG 813 0.543 -1.513 8.860
253 HE ARG 813 HE ARG 813 3.073 -1.089 10.298
254 HH11 ARG 813 HH11 ARG 813 -0.435 -1.194 10.289
255 HH12 ARG 813 HH12 ARG 813 -0.560 -1.188 12.023
256 HH21 ARG 813 HH21 ARG 813 2.901 -1.105 12.575
257 HH22 ARG 813 HH22 ARG 813 1.334 -1.145 13.318
258 H GLY 814 HN GLY 814 5.088 1.425 8.846
259 HA2 GLY 814 HA2 GLY 814 7.418 1.621 9.320
260 HA3 GLY 814 HA1 GLY 814 7.763 0.948 7.732
261 H SER 815 HN SER 815 6.055 2.481 6.198
262 HA SER 815 HA SER 815 6.195 5.252 6.647
263 HB2 SER 815 HB2 SER 815 8.638 4.838 6.297
264 HB3 SER 815 HB1 SER 815 8.269 4.196 4.700
265 HG SER 815 HG SER 815 8.580 6.748 5.467
266 H LYS 816 HN LYS 816 4.826 6.257 5.218
267 HA LYS 816 HA LYS 816 3.396 4.628 3.302
268 HB2 LYS 816 HB2 LYS 816 3.242 7.631 3.702
269 HB3 LYS 816 HB1 LYS 816 2.056 6.608 2.905
270 HG2 LYS 816 HG2 LYS 816 2.735 6.684 5.833
271 HG3 LYS 816 HG1 LYS 816 1.221 7.162 5.062
272 HD2 LYS 816 HD2 LYS 816 0.883 4.826 4.352
273 HD3 LYS 816 HD1 LYS 816 2.365 4.377 5.197
274 HE2 LYS 816 HE2 LYS 816 1.351 5.263 7.292
275 HE3 LYS 816 HE1 LYS 816 -0.157 5.490 6.409
276 HZ1 LYS 816 HZ1 LYS 816 0.054 3.036 5.855
277 HZ2 LYS 816 HZ2 LYS 816 -0.377 3.436 7.443
278 HZ3 LYS 816 HZ3 LYS 816 1.217 2.964 7.093
279 H ARG 817 HN ARG 817 5.760 4.334 2.431
280 HA ARG 817 HA ARG 817 6.199 5.957 0.022
281 HB2 ARG 817 HB2 ARG 817 8.295 5.577 2.171
282 HB3 ARG 817 HB1 ARG 817 8.584 6.237 0.569
283 HG2 ARG 817 HG2 ARG 817 7.157 8.138 1.076
284 HG3 ARG 817 HG1 ARG 817 6.819 7.470 2.675
285 HD2 ARG 817 HD2 ARG 817 9.263 7.557 3.149
286 HD3 ARG 817 HD1 ARG 817 9.484 8.389 1.609
287 HE ARG 817 HE ARG 817 7.565 9.823 2.987
288 HH11 ARG 817 HH11 ARG 817 10.936 8.953 3.403
289 HH12 ARG 817 HH12 ARG 817 11.298 10.323 4.415
290 HH21 ARG 817 HH21 ARG 817 8.036 11.629 4.290
291 HH22 ARG 817 HH22 ARG 817 9.646 11.871 4.883
292 H PHE 818 HN PHE 818 6.892 3.155 2.041
293 HA PHE 818 HA PHE 818 7.340 1.660 -0.425
294 HB2 PHE 818 HB2 PHE 818 8.835 1.329 2.193
295 HB3 PHE 818 HB1 PHE 818 8.998 0.276 0.790
296 HD1 PHE 818 HD2 PHE 818 10.077 1.109 -1.257
297 HD2 PHE 818 HD1 PHE 818 9.914 3.443 2.297
298 HE1 PHE 818 HE2 PHE 818 11.826 2.590 -2.151
299 HE2 PHE 818 HE1 PHE 818 11.660 4.927 1.409
300 HZ PHE 818 HZ PHE 818 12.616 4.504 -0.815
301 H CYS 819 HN CYS 819 6.493 -0.484 -0.283
302 HA CYS 819 HA CYS 819 4.333 -0.815 1.579
303 HB2 CYS 819 HB2 CYS 819 4.328 -3.157 0.385
304 HB3 CYS 819 HB1 CYS 819 3.775 -1.748 -0.493
305 H SER 820 HN SER 820 5.048 -3.793 1.913
306 HA SER 820 HA SER 820 5.345 -3.206 4.689
307 HB2 SER 820 HB2 SER 820 5.260 -5.712 4.830
308 HB3 SER 820 HB1 SER 820 3.904 -4.924 4.020
309 HG SER 820 HG SER 820 5.067 -6.864 3.012
310 H MET 821 HN MET 821 7.053 -6.066 4.267
311 HA MET 821 HA MET 821 9.005 -4.705 5.943
312 HB2 MET 821 HB2 MET 821 8.673 -7.652 5.362
313 HB3 MET 821 HB1 MET 821 9.717 -6.956 6.592
314 HG2 MET 821 HG2 MET 821 6.786 -6.392 6.646
315 HG3 MET 821 HG1 MET 821 7.391 -7.942 7.219
316 HE1 MET 821 HE1 MET 821 8.050 -3.836 9.201
317 HE2 MET 821 HE2 MET 821 7.179 -4.148 7.699
318 HE3 MET 821 HE3 MET 821 8.942 -4.173 7.721
319 H THR 822 HN THR 822 9.174 -7.038 3.268
320 HA THR 822 HA THR 822 11.833 -7.079 2.666
321 HB THR 822 HB THR 822 9.578 -6.835 0.675
322 HG1 THR 822 HG1 THR 822 10.655 -8.975 2.190
323 HG21 THR 822 HG21 THR 822 11.768 -6.509 -0.357
324 HG22 THR 822 HG22 THR 822 11.080 -8.064 -0.827
325 HG23 THR 822 HG23 THR 822 12.352 -7.995 0.393
326 H CYS 823 HN CYS 823 9.563 -4.640 1.421
327 HA CYS 823 HA CYS 823 11.570 -3.332 -0.074
328 HB2 CYS 823 HB2 CYS 823 8.754 -2.593 0.668
329 HB3 CYS 823 HB1 CYS 823 9.758 -1.647 -0.444
330 H ALA 824 HN ALA 824 9.845 -2.282 2.908
331 HA ALA 824 HA ALA 824 11.184 0.166 3.091
332 HB1 ALA 824 HB1 ALA 824 10.456 0.146 5.452
333 HB2 ALA 824 HB2 ALA 824 9.937 -1.533 5.249
334 HB3 ALA 824 HB3 ALA 824 9.156 -0.243 4.325
335 H LYS 825 HN LYS 825 11.976 -3.005 4.492
336 HA LYS 825 HA LYS 825 14.175 -1.995 5.985
337 HB2 LYS 825 HB2 LYS 825 14.608 -4.170 6.647
338 HB3 LYS 825 HB1 LYS 825 12.868 -4.129 6.419
339 HG2 LYS 825 HG2 LYS 825 13.111 -5.247 4.271
340 HG3 LYS 825 HG1 LYS 825 14.867 -5.266 4.474
341 HD2 LYS 825 HD2 LYS 825 14.600 -6.608 6.515
342 HD3 LYS 825 HD1 LYS 825 12.853 -6.618 6.269
343 HE2 LYS 825 HE2 LYS 825 13.194 -7.758 4.110
344 HE3 LYS 825 HE1 LYS 825 14.931 -7.792 4.425
345 HZ1 LYS 825 HZ1 LYS 825 12.893 -9.045 6.184
346 HZ2 LYS 825 HZ2 LYS 825 14.577 -9.177 6.322
347 HZ3 LYS 825 HZ3 LYS 825 13.775 -9.883 5.006
348 H ARG 826 HN ARG 826 13.828 -3.291 2.726
349 HA ARG 826 HA ARG 826 16.605 -3.888 2.407
350 HB2 ARG 826 HB2 ARG 826 14.910 -5.119 1.167
351 HB3 ARG 826 HB1 ARG 826 14.354 -3.646 0.398
352 HG2 ARG 826 HG2 ARG 826 15.630 -4.947 -1.157
353 HG3 ARG 826 HG1 ARG 826 16.508 -3.471 -0.772
354 HD2 ARG 826 HD2 ARG 826 17.149 -5.789 0.918
355 HD3 ARG 826 HD1 ARG 826 17.600 -5.951 -0.778
356 HE ARG 826 HE ARG 826 18.645 -3.998 1.135
357 HH11 ARG 826 HH11 ARG 826 18.683 -5.396 -2.072
358 HH12 ARG 826 HH12 ARG 826 20.087 -4.511 -2.575
359 HH21 ARG 826 HH21 ARG 826 20.505 -2.854 0.488
360 HH22 ARG 826 HH22 ARG 826 21.134 -3.071 -1.127
361 H TYR 827 HN TYR 827 14.687 -1.069 2.124
362 HA TYR 827 HA TYR 827 16.503 0.222 0.295
363 HB2 TYR 827 HB2 TYR 827 13.977 0.611 0.373
364 HB3 TYR 827 HB1 TYR 827 14.253 1.523 1.849
365 HD1 TYR 827 HD1 TYR 827 14.905 1.450 -1.791
366 HD2 TYR 827 HD2 TYR 827 15.018 3.770 1.774
367 HE1 TYR 827 HE1 TYR 827 15.349 3.466 -3.122
368 HE2 TYR 827 HE2 TYR 827 15.453 5.795 0.448
369 HH TYR 827 HH TYR 827 16.547 6.247 -1.882
370 H ASN 828 HN ASN 828 17.059 -0.648 3.261
371 HA ASN 828 HA ASN 828 17.971 1.768 4.473
372 HB2 ASN 828 HB2 ASN 828 18.960 0.442 6.164
373 HB3 ASN 828 HB1 ASN 828 17.538 -0.466 5.669
374 HD21 ASN 828 HD21 ASN 828 17.804 -2.391 4.517
375 HD22 ASN 828 HD22 ASN 828 19.326 -3.212 4.436
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -11.072 -4.609 3.590
2 H2 GLY 1 HT2 GLY 1 -9.415 -4.818 3.889
3 H3 GLY 1 HT3 GLY 1 -9.936 -4.199 2.397
4 HA2 GLY 1 HA1 GLY 1 -9.056 -2.441 3.782
5 HA3 GLY 1 HA2 GLY 1 -10.768 -2.214 3.452
6 H THR 2 HN THR 2 -12.258 -3.190 5.127
7 HA THR 2 HA THR 2 -13.079 -3.168 7.243
8 HB THR 2 HB THR 2 -10.318 -3.841 8.249
9 HG1 THR 2 HG1 THR 2 -11.798 -5.203 6.407
10 HG21 THR 2 HG21 THR 2 -12.087 -3.524 9.920
11 HG22 THR 2 HG22 THR 2 -11.572 -5.208 9.854
12 HG23 THR 2 HG23 THR 2 -13.086 -4.720 9.093
13 H ARG 3 HN ARG 3 -12.666 -0.695 6.404
14 HA ARG 3 HA ARG 3 -11.834 0.680 8.826
15 HB2 ARG 3 HB2 ARG 3 -9.821 0.681 7.424
16 HB3 ARG 3 HB1 ARG 3 -10.736 1.394 6.102
17 HG2 ARG 3 HG2 ARG 3 -9.451 3.101 7.176
18 HG3 ARG 3 HG1 ARG 3 -11.161 3.374 7.515
19 HD2 ARG 3 HD2 ARG 3 -9.969 3.723 9.544
20 HD3 ARG 3 HD1 ARG 3 -10.828 2.191 9.693
21 HE ARG 3 HE ARG 3 -8.087 1.981 8.780
22 HH11 ARG 3 HH11 ARG 3 -10.306 1.880 11.484
23 HH12 ARG 3 HH12 ARG 3 -9.173 1.119 12.557
24 HH21 ARG 3 HH21 ARG 3 -6.579 0.980 10.175
25 HH22 ARG 3 HH22 ARG 3 -7.043 0.599 11.811
26 H GLY 783 HN GLY 783 -13.797 1.461 9.293
27 HA2 GLY 783 HA2 GLY 783 -14.847 3.465 7.411
28 HA3 GLY 783 HA1 GLY 783 -15.942 2.300 8.150
29 H VAL 784 HN VAL 784 -16.140 5.122 8.453
30 HA VAL 784 HA VAL 784 -15.035 5.934 10.952
31 HB VAL 784 HB VAL 784 -17.460 7.082 9.550
32 HG11 VAL 784 HG11 VAL 784 -16.898 9.135 10.752
33 HG12 VAL 784 HG12 VAL 784 -15.564 8.306 11.552
34 HG13 VAL 784 HG13 VAL 784 -17.226 7.807 11.866
35 HG21 VAL 784 HG21 VAL 784 -15.554 7.020 8.038
36 HG22 VAL 784 HG22 VAL 784 -14.554 7.825 9.246
37 HG23 VAL 784 HG23 VAL 784 -15.918 8.678 8.522
38 H ASP 785 HN ASP 785 -18.459 5.487 10.105
39 HA ASP 785 HA ASP 785 -18.831 3.655 12.318
40 HB2 ASP 785 HB2 ASP 785 -19.213 5.898 13.348
41 HB3 ASP 785 HB1 ASP 785 -20.479 6.194 12.158
42 H SER 786 HN SER 786 -19.057 2.384 10.358
43 HA SER 786 HA SER 786 -21.554 2.898 8.896
44 HB2 SER 786 HB2 SER 786 -19.127 1.366 7.939
45 HB3 SER 786 HB1 SER 786 -20.525 1.852 6.977
46 HG SER 786 HG SER 786 -19.530 3.654 6.620
47 HA PRO 787 HA PRO 787 -22.718 -1.199 10.408
48 HB2 PRO 787 HB2 PRO 787 -25.343 -0.947 9.886
49 HB3 PRO 787 HB1 PRO 787 -24.600 -0.165 11.284
50 HG2 PRO 787 HG2 PRO 787 -25.405 1.002 8.664
51 HG3 PRO 787 HG1 PRO 787 -25.515 1.704 10.287
52 HD2 PRO 787 HD2 PRO 787 -23.533 2.272 8.436
53 HD3 PRO 787 HD1 PRO 787 -23.402 2.537 10.184
54 H SER 788 HN SER 788 -22.944 0.342 7.366
55 HA SER 788 HA SER 788 -23.888 -2.013 5.952
56 HB2 SER 788 HB2 SER 788 -23.523 -0.425 3.951
57 HB3 SER 788 HB1 SER 788 -24.794 -0.004 5.101
58 HG SER 788 HG SER 788 -23.784 1.805 5.377
59 H ALA 789 HN ALA 789 -22.528 -2.234 3.722
60 HA ALA 789 HA ALA 789 -20.000 -3.283 4.659
61 HB1 ALA 789 HB1 ALA 789 -19.873 -4.350 2.469
62 HB2 ALA 789 HB2 ALA 789 -21.285 -3.442 1.934
63 HB3 ALA 789 HB3 ALA 789 -21.441 -4.637 3.219
64 H GLU 790 HN GLU 790 -19.734 -0.654 4.904
65 HA GLU 790 HA GLU 790 -18.565 0.489 2.501
66 HB2 GLU 790 HB2 GLU 790 -18.977 1.552 5.285
67 HB3 GLU 790 HB1 GLU 790 -18.088 2.434 4.053
68 HG2 GLU 790 HG2 GLU 790 -20.175 2.206 2.617
69 HG3 GLU 790 HG1 GLU 790 -20.992 1.679 4.086
70 H LEU 791 HN LEU 791 -17.418 -1.767 4.405
71 HA LEU 791 HA LEU 791 -14.968 -0.538 5.243
72 HB2 LEU 791 HB2 LEU 791 -15.724 -3.462 5.195
73 HB3 LEU 791 HB1 LEU 791 -14.332 -2.782 6.017
74 HG LEU 791 HG LEU 791 -17.223 -2.241 6.706
75 HD11 LEU 791 HD11 LEU 791 -16.529 -4.499 7.282
76 HD12 LEU 791 HD12 LEU 791 -16.740 -3.518 8.730
77 HD13 LEU 791 HD13 LEU 791 -15.119 -3.862 8.130
78 HD21 LEU 791 HD21 LEU 791 -16.326 -1.090 8.661
79 HD22 LEU 791 HD22 LEU 791 -15.800 -0.316 7.166
80 HD23 LEU 791 HD23 LEU 791 -14.686 -1.346 8.066
81 H ASP 792 HN ASP 792 -15.991 -1.129 2.360
82 HA ASP 792 HA ASP 792 -13.456 -2.183 1.303
83 HB2 ASP 792 HB2 ASP 792 -15.508 -3.536 0.807
84 HB3 ASP 792 HB1 ASP 792 -16.160 -2.152 -0.061
85 H LYS 793 HN LYS 793 -14.786 0.584 2.001
86 HA LYS 793 HA LYS 793 -14.784 2.035 -0.446
87 HB2 LYS 793 HB2 LYS 793 -14.791 2.852 2.443
88 HB3 LYS 793 HB1 LYS 793 -14.707 4.039 1.151
89 HG2 LYS 793 HG2 LYS 793 -16.831 3.180 0.253
90 HG3 LYS 793 HG1 LYS 793 -16.920 2.052 1.609
91 HD2 LYS 793 HD2 LYS 793 -18.268 4.101 1.956
92 HD3 LYS 793 HD1 LYS 793 -17.017 3.878 3.181
93 HE2 LYS 793 HE2 LYS 793 -15.580 5.467 2.007
94 HE3 LYS 793 HE1 LYS 793 -16.817 5.681 0.770
95 HZ1 LYS 793 HZ1 LYS 793 -17.216 6.296 3.647
96 HZ2 LYS 793 HZ2 LYS 793 -18.277 6.646 2.372
97 HZ3 LYS 793 HZ3 LYS 793 -16.786 7.447 2.476
98 H LYS 794 HN LYS 794 -12.303 1.036 1.673
99 HA LYS 794 HA LYS 794 -10.508 3.174 1.127
100 HB2 LYS 794 HB2 LYS 794 -9.862 0.419 2.187
101 HB3 LYS 794 HB1 LYS 794 -8.810 1.824 2.238
102 HG2 LYS 794 HG2 LYS 794 -11.340 1.345 3.783
103 HG3 LYS 794 HG1 LYS 794 -9.707 1.574 4.403
104 HD2 LYS 794 HD2 LYS 794 -11.416 3.660 3.045
105 HD3 LYS 794 HD1 LYS 794 -11.059 3.564 4.766
106 HE2 LYS 794 HE2 LYS 794 -9.003 3.964 2.597
107 HE3 LYS 794 HE1 LYS 794 -9.709 5.257 3.559
108 HZ1 LYS 794 HZ1 LYS 794 -8.014 3.022 4.553
109 HZ2 LYS 794 HZ2 LYS 794 -8.791 4.156 5.551
110 HZ3 LYS 794 HZ3 LYS 794 -7.596 4.665 4.467
111 H ALA 795 HN ALA 795 -9.601 3.516 -0.705
112 HA ALA 795 HA ALA 795 -8.221 1.442 -2.162
113 HB1 ALA 795 HB1 ALA 795 -9.377 1.889 -4.296
114 HB2 ALA 795 HB2 ALA 795 -10.531 2.912 -3.443
115 HB3 ALA 795 HB3 ALA 795 -10.453 1.186 -3.091
116 H ASN 796 HN ASN 796 -7.711 3.891 -0.719
117 HA ASN 796 HA ASN 796 -6.755 5.821 -2.643
118 HB2 ASN 796 HB2 ASN 796 -5.627 6.702 -0.439
119 HB3 ASN 796 HB1 ASN 796 -7.370 6.855 -0.637
120 HD21 ASN 796 HD21 ASN 796 -4.818 5.111 0.965
121 HD22 ASN 796 HD22 ASN 796 -5.803 4.347 2.163
122 H LEU 797 HN LEU 797 -5.183 4.749 -3.939
123 HA LEU 797 HA LEU 797 -3.279 3.070 -2.540
124 HB2 LEU 797 HB2 LEU 797 -3.604 3.447 -5.503
125 HB3 LEU 797 HB1 LEU 797 -2.763 2.152 -4.684
126 HG LEU 797 HG LEU 797 -5.747 2.589 -4.614
127 HD11 LEU 797 HD11 LEU 797 -5.863 0.611 -6.045
128 HD12 LEU 797 HD12 LEU 797 -4.102 0.561 -6.123
129 HD13 LEU 797 HD13 LEU 797 -4.977 1.919 -6.830
130 HD21 LEU 797 HD21 LEU 797 -4.924 1.506 -2.607
131 HD22 LEU 797 HD22 LEU 797 -4.041 0.329 -3.579
132 HD23 LEU 797 HD23 LEU 797 -5.806 0.355 -3.610
133 H LEU 798 HN LEU 798 -1.151 3.427 -2.590
134 HA LEU 798 HA LEU 798 0.054 5.465 -4.312
135 HB2 LEU 798 HB2 LEU 798 1.085 6.657 -2.614
136 HB3 LEU 798 HB1 LEU 798 -0.475 6.344 -1.879
137 HG LEU 798 HG LEU 798 1.001 4.163 -1.094
138 HD11 LEU 798 HD11 LEU 798 2.764 6.593 -0.895
139 HD12 LEU 798 HD12 LEU 798 3.006 5.264 -2.028
140 HD13 LEU 798 HD13 LEU 798 3.108 4.970 -0.289
141 HD21 LEU 798 HD21 LEU 798 1.012 5.243 1.084
142 HD22 LEU 798 HD22 LEU 798 -0.538 5.444 0.266
143 HD23 LEU 798 HD23 LEU 798 0.610 6.783 0.323
144 H LYS 799 HN LYS 799 2.668 5.023 -3.880
145 HA LYS 799 HA LYS 799 2.738 2.171 -3.538
146 HB2 LYS 799 HB2 LYS 799 3.640 1.713 -5.745
147 HB3 LYS 799 HB1 LYS 799 2.239 2.768 -5.957
148 HG2 LYS 799 HG2 LYS 799 3.643 4.685 -6.249
149 HG3 LYS 799 HG1 LYS 799 5.076 3.761 -5.828
150 HD2 LYS 799 HD2 LYS 799 4.775 2.400 -7.838
151 HD3 LYS 799 HD1 LYS 799 3.350 3.350 -8.262
152 HE2 LYS 799 HE2 LYS 799 5.398 4.051 -9.472
153 HE3 LYS 799 HE1 LYS 799 4.677 5.335 -8.504
154 HZ1 LYS 799 HZ1 LYS 799 6.350 5.080 -6.846
155 HZ2 LYS 799 HZ2 LYS 799 7.146 5.165 -8.345
156 HZ3 LYS 799 HZ3 LYS 799 6.951 3.675 -7.574
157 H CYS 800 HN CYS 800 4.569 1.175 -3.260
158 HA CYS 800 HA CYS 800 6.654 2.148 -1.869
159 HB2 CYS 800 HB2 CYS 800 5.969 -0.187 -2.192
160 HB3 CYS 800 HB1 CYS 800 6.480 -0.111 -3.866
161 H GLU 801 HN GLU 801 7.665 4.010 -2.667
162 HA GLU 801 HA GLU 801 8.474 4.438 -5.340
163 HB2 GLU 801 HB2 GLU 801 9.629 5.634 -2.822
164 HB3 GLU 801 HB1 GLU 801 9.740 6.298 -4.447
165 HG2 GLU 801 HG2 GLU 801 7.141 5.868 -3.001
166 HG3 GLU 801 HG1 GLU 801 8.048 7.376 -2.952
167 H TYR 802 HN TYR 802 9.404 1.888 -3.956
168 HA TYR 802 HA TYR 802 12.123 2.081 -5.040
169 HB2 TYR 802 HB2 TYR 802 11.825 1.088 -2.691
170 HB3 TYR 802 HB1 TYR 802 11.030 -0.273 -3.484
171 HD1 TYR 802 HD1 TYR 802 12.314 -1.777 -4.953
172 HD2 TYR 802 HD2 TYR 802 14.210 1.378 -2.821
173 HE1 TYR 802 HE1 TYR 802 14.499 -2.830 -5.354
174 HE2 TYR 802 HE2 TYR 802 16.399 0.337 -3.218
175 HH TYR 802 HH TYR 802 16.869 -2.207 -5.448
176 H CYS 803 HN CYS 803 10.161 -0.851 -4.814
177 HA CYS 803 HA CYS 803 10.441 -1.516 -7.494
178 HB2 CYS 803 HB2 CYS 803 8.518 -3.145 -7.005
179 HB3 CYS 803 HB1 CYS 803 9.982 -3.294 -6.040
180 H GLY 804 HN GLY 804 7.765 0.211 -5.956
181 HA2 GLY 804 HA2 GLY 804 6.465 1.783 -7.148
182 HA3 GLY 804 HA1 GLY 804 6.910 0.981 -8.645
183 H LYS 805 HN LYS 805 5.747 -0.840 -5.901
184 HA LYS 805 HA LYS 805 3.471 -1.716 -7.476
185 HB2 LYS 805 HB2 LYS 805 4.396 -2.549 -4.720
186 HB3 LYS 805 HB1 LYS 805 3.075 -3.288 -5.613
187 HG2 LYS 805 HG2 LYS 805 4.677 -3.946 -7.371
188 HG3 LYS 805 HG1 LYS 805 5.983 -3.281 -6.388
189 HD2 LYS 805 HD2 LYS 805 5.850 -5.674 -6.061
190 HD3 LYS 805 HD1 LYS 805 5.381 -4.842 -4.578
191 HE2 LYS 805 HE2 LYS 805 3.858 -6.660 -4.957
192 HE3 LYS 805 HE1 LYS 805 3.002 -5.143 -5.224
193 HZ1 LYS 805 HZ1 LYS 805 2.484 -6.771 -6.929
194 HZ2 LYS 805 HZ2 LYS 805 4.125 -6.896 -7.343
195 HZ3 LYS 805 HZ3 LYS 805 3.295 -5.442 -7.612
196 H TYR 806 HN TYR 806 1.396 -1.055 -7.174
197 HA TYR 806 HA TYR 806 0.952 1.152 -5.282
198 HB2 TYR 806 HB2 TYR 806 -0.697 0.039 -7.556
199 HB3 TYR 806 HB1 TYR 806 -1.280 1.280 -6.458
200 HD1 TYR 806 HD2 TYR 806 -0.359 3.549 -6.552
201 HD2 TYR 806 HD1 TYR 806 0.918 0.531 -9.261
202 HE1 TYR 806 HE2 TYR 806 0.665 5.271 -7.975
203 HE2 TYR 806 HE1 TYR 806 1.950 2.242 -10.689
204 HH TYR 806 HH TYR 806 1.785 4.605 -11.147
205 H ALA 807 HN ALA 807 -0.298 1.070 -3.580
206 HA ALA 807 HA ALA 807 -2.024 -1.187 -3.031
207 HB1 ALA 807 HB1 ALA 807 0.507 -0.766 -1.425
208 HB2 ALA 807 HB2 ALA 807 0.155 -2.137 -2.475
209 HB3 ALA 807 HB3 ALA 807 -0.793 -1.883 -1.011
210 HA PRO 808 HA PRO 808 -4.057 1.814 -0.509
211 HB2 PRO 808 HB2 PRO 808 -4.341 -0.202 1.642
212 HB3 PRO 808 HB1 PRO 808 -5.591 0.685 0.766
213 HG2 PRO 808 HG2 PRO 808 -5.169 -1.905 0.301
214 HG3 PRO 808 HG1 PRO 808 -5.570 -0.787 -1.018
215 HD2 PRO 808 HD2 PRO 808 -2.906 -1.917 -0.232
216 HD3 PRO 808 HD1 PRO 808 -3.594 -1.686 -1.854
217 H ALA 809 HN ALA 809 -3.213 3.373 0.580
218 HA ALA 809 HA ALA 809 -0.819 3.652 1.727
219 HB1 ALA 809 HB1 ALA 809 -3.312 4.988 2.738
220 HB2 ALA 809 HB2 ALA 809 -2.377 5.471 1.321
221 HB3 ALA 809 HB3 ALA 809 -1.660 5.574 2.928
222 H GLU 810 HN GLU 810 -3.480 2.051 3.304
223 HA GLU 810 HA GLU 810 -2.625 2.238 5.992
224 HB2 GLU 810 HB2 GLU 810 -3.879 -0.181 5.926
225 HB3 GLU 810 HB1 GLU 810 -4.666 1.370 6.158
226 HG2 GLU 810 HG2 GLU 810 -4.283 0.269 3.407
227 HG3 GLU 810 HG1 GLU 810 -5.596 -0.301 4.430
228 H GLN 811 HN GLN 811 -1.406 0.305 3.369
229 HA GLN 811 HA GLN 811 -0.197 -1.641 5.130
230 HB2 GLN 811 HB2 GLN 811 -1.027 -2.257 2.855
231 HB3 GLN 811 HB1 GLN 811 0.213 -1.223 2.163
232 HG2 GLN 811 HG2 GLN 811 1.887 -2.680 3.435
233 HG3 GLN 811 HG1 GLN 811 0.549 -3.799 3.664
234 HE21 GLN 811 HE21 GLN 811 1.222 -1.861 0.774
235 HE22 GLN 811 HE22 GLN 811 1.510 -3.208 -0.260
236 H PHE 812 HN PHE 812 0.473 1.458 4.532
237 HA PHE 812 HA PHE 812 3.331 1.106 3.987
238 HB2 PHE 812 HB2 PHE 812 1.512 3.488 3.617
239 HB3 PHE 812 HB1 PHE 812 3.266 3.592 3.498
240 HD1 PHE 812 HD1 PHE 812 0.315 1.873 2.070
241 HD2 PHE 812 HD2 PHE 812 4.355 3.069 1.501
242 HE1 PHE 812 HE1 PHE 812 0.176 1.203 -0.293
243 HE2 PHE 812 HE2 PHE 812 4.225 2.402 -0.861
244 HZ PHE 812 HZ PHE 812 2.187 1.382 -1.740
245 H ARG 813 HN ARG 813 2.624 0.364 6.414
246 HA ARG 813 HA ARG 813 2.894 2.517 8.354
247 HB2 ARG 813 HB2 ARG 813 2.923 -0.473 8.751
248 HB3 ARG 813 HB1 ARG 813 2.768 0.749 10.008
249 HG2 ARG 813 HG2 ARG 813 0.666 1.511 8.865
250 HG3 ARG 813 HG1 ARG 813 0.794 0.080 7.842
251 HD2 ARG 813 HD2 ARG 813 -0.695 -0.425 9.638
252 HD3 ARG 813 HD1 ARG 813 0.807 -1.309 9.907
253 HE ARG 813 HE ARG 813 0.548 1.267 11.243
254 HH11 ARG 813 HH11 ARG 813 0.377 -2.233 11.461
255 HH12 ARG 813 HH12 ARG 813 0.438 -2.246 13.200
256 HH21 ARG 813 HH21 ARG 813 0.627 1.243 13.524
257 HH22 ARG 813 HH22 ARG 813 0.546 -0.274 14.376
258 H GLY 814 HN GLY 814 5.014 0.798 6.430
259 HA2 GLY 814 HA2 GLY 814 7.257 1.348 8.240
260 HA3 GLY 814 HA1 GLY 814 7.357 0.520 6.687
261 H SER 815 HN SER 815 6.003 3.620 7.752
262 HA SER 815 HA SER 815 6.078 5.723 6.874
263 HB2 SER 815 HB2 SER 815 8.611 4.728 5.551
264 HB3 SER 815 HB1 SER 815 8.039 6.393 5.481
265 HG SER 815 HG SER 815 8.100 5.472 8.035
266 H LYS 816 HN LYS 816 5.204 6.794 5.178
267 HA LYS 816 HA LYS 816 3.838 5.134 3.266
268 HB2 LYS 816 HB2 LYS 816 3.944 8.137 3.564
269 HB3 LYS 816 HB1 LYS 816 2.806 7.255 2.558
270 HG2 LYS 816 HG2 LYS 816 2.989 6.939 5.545
271 HG3 LYS 816 HG1 LYS 816 1.898 8.067 4.741
272 HD2 LYS 816 HD2 LYS 816 0.770 6.256 3.628
273 HD3 LYS 816 HD1 LYS 816 1.940 5.094 4.249
274 HE2 LYS 816 HE2 LYS 816 -0.142 5.012 5.517
275 HE3 LYS 816 HE1 LYS 816 1.199 5.550 6.526
276 HZ1 LYS 816 HZ1 LYS 816 -0.839 6.846 6.871
277 HZ2 LYS 816 HZ2 LYS 816 -0.791 7.359 5.254
278 HZ3 LYS 816 HZ3 LYS 816 0.447 7.807 6.330
279 H ARG 817 HN ARG 817 6.203 4.519 2.533
280 HA ARG 817 HA ARG 817 6.965 6.130 0.193
281 HB2 ARG 817 HB2 ARG 817 8.874 5.157 2.327
282 HB3 ARG 817 HB1 ARG 817 9.319 5.930 0.816
283 HG2 ARG 817 HG2 ARG 817 8.189 7.981 1.558
284 HG3 ARG 817 HG1 ARG 817 7.813 7.196 3.094
285 HD2 ARG 817 HD2 ARG 817 10.568 7.717 1.984
286 HD3 ARG 817 HD1 ARG 817 9.789 8.609 3.291
287 HE ARG 817 HE ARG 817 10.203 5.728 3.621
288 HH11 ARG 817 HH11 ARG 817 11.024 9.012 4.497
289 HH12 ARG 817 HH12 ARG 817 11.925 8.543 5.909
290 HH21 ARG 817 HH21 ARG 817 11.387 5.117 5.509
291 HH22 ARG 817 HH22 ARG 817 12.129 6.354 6.482
292 H PHE 818 HN PHE 818 7.140 3.164 2.109
293 HA PHE 818 HA PHE 818 7.520 1.679 -0.386
294 HB2 PHE 818 HB2 PHE 818 8.888 1.084 2.249
295 HB3 PHE 818 HB1 PHE 818 9.041 0.151 0.763
296 HD1 PHE 818 HD2 PHE 818 10.083 1.284 -1.257
297 HD2 PHE 818 HD1 PHE 818 10.281 2.901 2.671
298 HE1 PHE 818 HE2 PHE 818 11.965 2.713 -1.944
299 HE2 PHE 818 HE1 PHE 818 12.160 4.334 1.989
300 HZ PHE 818 HZ PHE 818 13.003 4.240 -0.319
301 H CYS 819 HN CYS 819 6.716 -0.545 -0.180
302 HA CYS 819 HA CYS 819 4.376 -0.773 1.473
303 HB2 CYS 819 HB2 CYS 819 4.762 -3.272 0.447
304 HB3 CYS 819 HB1 CYS 819 3.932 -1.994 -0.413
305 H SER 820 HN SER 820 5.015 -3.691 2.182
306 HA SER 820 HA SER 820 5.232 -2.736 4.888
307 HB2 SER 820 HB2 SER 820 3.624 -4.470 4.177
308 HB3 SER 820 HB1 SER 820 4.976 -5.565 3.866
309 HG SER 820 HG SER 820 4.252 -4.396 6.364
310 H MET 821 HN MET 821 6.708 -5.815 4.761
311 HA MET 821 HA MET 821 8.876 -4.499 6.164
312 HB2 MET 821 HB2 MET 821 8.029 -7.366 5.931
313 HB3 MET 821 HB1 MET 821 9.535 -6.903 6.712
314 HG2 MET 821 HG2 MET 821 7.078 -5.511 7.569
315 HG3 MET 821 HG1 MET 821 7.251 -7.200 8.041
316 HE1 MET 821 HE1 MET 821 8.594 -3.566 8.338
317 HE2 MET 821 HE2 MET 821 10.051 -4.323 7.690
318 HE3 MET 821 HE3 MET 821 10.025 -3.742 9.354
319 H THR 822 HN THR 822 8.796 -7.130 3.790
320 HA THR 822 HA THR 822 11.419 -7.336 3.125
321 HB THR 822 HB THR 822 9.223 -7.374 1.059
322 HG1 THR 822 HG1 THR 822 8.899 -9.551 1.768
323 HG21 THR 822 HG21 THR 822 11.487 -7.671 0.186
324 HG22 THR 822 HG22 THR 822 10.581 -9.180 0.083
325 HG23 THR 822 HG23 THR 822 11.782 -8.958 1.355
326 H CYS 823 HN CYS 823 9.159 -4.996 1.634
327 HA CYS 823 HA CYS 823 11.205 -4.019 -0.077
328 HB2 CYS 823 HB2 CYS 823 8.413 -3.075 0.469
329 HB3 CYS 823 HB1 CYS 823 9.489 -2.292 -0.691
330 H ALA 824 HN ALA 824 9.682 -2.551 2.860
331 HA ALA 824 HA ALA 824 11.265 -0.234 2.807
332 HB1 ALA 824 HB1 ALA 824 10.756 -0.030 5.178
333 HB2 ALA 824 HB2 ALA 824 10.216 -1.710 5.226
334 HB3 ALA 824 HB3 ALA 824 9.317 -0.520 4.283
335 H LYS 825 HN LYS 825 11.842 -3.466 4.135
336 HA LYS 825 HA LYS 825 14.373 -3.074 5.163
337 HB2 LYS 825 HB2 LYS 825 13.383 -5.101 5.672
338 HB3 LYS 825 HB1 LYS 825 12.874 -5.388 4.016
339 HG2 LYS 825 HG2 LYS 825 15.263 -5.801 3.441
340 HG3 LYS 825 HG1 LYS 825 15.628 -5.714 5.168
341 HD2 LYS 825 HD2 LYS 825 14.156 -7.573 5.611
342 HD3 LYS 825 HD1 LYS 825 13.635 -7.605 3.926
343 HE2 LYS 825 HE2 LYS 825 15.950 -8.139 3.255
344 HE3 LYS 825 HE1 LYS 825 16.416 -8.173 4.955
345 HZ1 LYS 825 HZ1 LYS 825 14.422 -9.966 3.665
346 HZ2 LYS 825 HZ2 LYS 825 14.854 -9.997 5.302
347 HZ3 LYS 825 HZ3 LYS 825 16.000 -10.394 4.119
348 H ARG 826 HN ARG 826 13.294 -3.719 1.887
349 HA ARG 826 HA ARG 826 15.783 -4.337 0.681
350 HB2 ARG 826 HB2 ARG 826 13.527 -4.939 -0.188
351 HB3 ARG 826 HB1 ARG 826 13.299 -3.255 -0.636
352 HG2 ARG 826 HG2 ARG 826 15.121 -3.359 -2.187
353 HG3 ARG 826 HG1 ARG 826 15.534 -4.989 -1.653
354 HD2 ARG 826 HD2 ARG 826 13.427 -5.835 -2.498
355 HD3 ARG 826 HD1 ARG 826 12.929 -4.205 -2.956
356 HE ARG 826 HE ARG 826 15.407 -4.918 -4.168
357 HH11 ARG 826 HH11 ARG 826 11.951 -5.523 -4.415
358 HH12 ARG 826 HH12 ARG 826 11.987 -5.739 -6.142
359 HH21 ARG 826 HH21 ARG 826 15.451 -5.214 -6.425
360 HH22 ARG 826 HH22 ARG 826 13.981 -5.594 -7.280
361 H TYR 827 HN TYR 827 14.088 -1.371 1.343
362 HA TYR 827 HA TYR 827 15.337 0.470 -0.260
363 HB2 TYR 827 HB2 TYR 827 13.578 1.235 1.013
364 HB3 TYR 827 HB1 TYR 827 14.225 0.569 2.509
365 HD1 TYR 827 HD1 TYR 827 15.295 3.065 -0.083
366 HD2 TYR 827 HD2 TYR 827 14.944 2.109 4.046
367 HE1 TYR 827 HE1 TYR 827 16.211 5.271 0.501
368 HE2 TYR 827 HE2 TYR 827 15.863 4.310 4.640
369 HH TYR 827 HH TYR 827 16.266 6.829 2.333
370 H ASN 828 HN ASN 828 16.542 -1.269 2.487
371 HA ASN 828 HA ASN 828 18.563 -1.486 3.490
372 HB2 ASN 828 HB2 ASN 828 19.613 0.507 1.466
373 HB3 ASN 828 HB1 ASN 828 20.586 -0.465 2.560
374 HD21 ASN 828 HD21 ASN 828 18.953 -2.866 2.195
375 HD22 ASN 828 HD22 ASN 828 19.328 -3.455 0.609
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -23.420 11.822 7.526
2 H2 GLY 1 HT2 GLY 1 -24.906 12.316 8.173
3 H3 GLY 1 HT3 GLY 1 -24.820 10.913 7.228
4 HA2 GLY 1 HA1 GLY 1 -23.681 11.338 9.929
5 HA3 GLY 1 HA2 GLY 1 -24.981 10.240 9.489
6 H THR 2 HN THR 2 -23.691 9.335 7.034
7 HA THR 2 HA THR 2 -21.219 8.101 7.983
8 HB THR 2 HB THR 2 -23.130 6.572 8.584
9 HG1 THR 2 HG1 THR 2 -21.513 5.232 8.407
10 HG21 THR 2 HG21 THR 2 -24.569 7.039 6.649
11 HG22 THR 2 HG22 THR 2 -24.226 5.317 6.801
12 HG23 THR 2 HG23 THR 2 -23.381 6.278 5.588
13 H ARG 3 HN ARG 3 -20.510 6.525 5.994
14 HA ARG 3 HA ARG 3 -20.967 8.001 3.487
15 HB2 ARG 3 HB2 ARG 3 -18.274 6.955 4.345
16 HB3 ARG 3 HB1 ARG 3 -18.637 7.915 2.923
17 HG2 ARG 3 HG2 ARG 3 -19.186 9.822 4.381
18 HG3 ARG 3 HG1 ARG 3 -18.730 8.847 5.783
19 HD2 ARG 3 HD2 ARG 3 -16.507 8.488 4.584
20 HD3 ARG 3 HD1 ARG 3 -16.999 9.808 3.530
21 HE ARG 3 HE ARG 3 -17.230 11.057 5.785
22 HH11 ARG 3 HH11 ARG 3 -14.820 8.653 4.951
23 HH12 ARG 3 HH12 ARG 3 -13.603 9.344 5.990
24 HH21 ARG 3 HH21 ARG 3 -15.631 11.954 7.151
25 HH22 ARG 3 HH22 ARG 3 -14.063 11.213 7.239
26 H GLY 783 HN GLY 783 -20.835 6.762 1.619
27 HA2 GLY 783 HA2 GLY 783 -20.381 4.915 0.297
28 HA3 GLY 783 HA1 GLY 783 -19.779 4.080 1.720
29 H VAL 784 HN VAL 784 -21.342 2.874 -0.234
30 HA VAL 784 HA VAL 784 -23.972 2.531 1.003
31 HB VAL 784 HB VAL 784 -22.832 1.269 -1.505
32 HG11 VAL 784 HG11 VAL 784 -25.643 1.278 -0.416
33 HG12 VAL 784 HG12 VAL 784 -24.561 -0.111 -0.512
34 HG13 VAL 784 HG13 VAL 784 -25.154 0.647 -1.991
35 HG21 VAL 784 HG21 VAL 784 -23.095 3.685 -1.725
36 HG22 VAL 784 HG22 VAL 784 -24.772 3.559 -1.195
37 HG23 VAL 784 HG23 VAL 784 -24.272 2.825 -2.718
38 H ASP 785 HN ASP 785 -21.042 0.766 0.183
39 HA ASP 785 HA ASP 785 -21.690 -1.169 2.307
40 HB2 ASP 785 HB2 ASP 785 -21.858 -2.274 0.124
41 HB3 ASP 785 HB1 ASP 785 -20.245 -1.707 -0.301
42 H SER 786 HN SER 786 -20.551 0.305 3.698
43 HA SER 786 HA SER 786 -17.650 -0.063 3.517
44 HB2 SER 786 HB2 SER 786 -19.033 2.541 4.217
45 HB3 SER 786 HB1 SER 786 -17.290 2.264 4.232
46 HG SER 786 HG SER 786 -18.462 1.555 1.870
47 HA PRO 787 HA PRO 787 -18.443 -1.497 7.698
48 HB2 PRO 787 HB2 PRO 787 -15.502 -1.685 7.790
49 HB3 PRO 787 HB1 PRO 787 -16.712 -2.954 8.000
50 HG2 PRO 787 HG2 PRO 787 -15.188 -2.833 5.798
51 HG3 PRO 787 HG1 PRO 787 -16.884 -3.357 5.727
52 HD2 PRO 787 HD2 PRO 787 -15.696 -0.687 5.033
53 HD3 PRO 787 HD1 PRO 787 -16.933 -1.622 4.168
54 H SER 788 HN SER 788 -15.612 0.569 7.053
55 HA SER 788 HA SER 788 -16.073 1.960 9.579
56 HB2 SER 788 HB2 SER 788 -13.777 1.358 9.175
57 HB3 SER 788 HB1 SER 788 -13.818 2.070 7.565
58 HG SER 788 HG SER 788 -13.227 3.242 9.908
59 H ALA 789 HN ALA 789 -16.796 3.999 9.717
60 HA ALA 789 HA ALA 789 -18.005 5.194 7.400
61 HB1 ALA 789 HB1 ALA 789 -17.744 6.273 10.204
62 HB2 ALA 789 HB2 ALA 789 -19.072 5.278 9.607
63 HB3 ALA 789 HB3 ALA 789 -18.808 6.889 8.940
64 H GLU 790 HN GLU 790 -14.934 5.304 8.777
65 HA GLU 790 HA GLU 790 -14.339 7.892 7.517
66 HB2 GLU 790 HB2 GLU 790 -12.759 6.233 9.478
67 HB3 GLU 790 HB1 GLU 790 -12.142 7.686 8.704
68 HG2 GLU 790 HG2 GLU 790 -14.009 8.961 9.710
69 HG3 GLU 790 HG1 GLU 790 -14.515 7.496 10.550
70 H LEU 791 HN LEU 791 -13.332 4.517 7.634
71 HA LEU 791 HA LEU 791 -11.680 4.922 5.278
72 HB2 LEU 791 HB2 LEU 791 -12.128 2.553 7.087
73 HB3 LEU 791 HB1 LEU 791 -11.249 2.417 5.578
74 HG LEU 791 HG LEU 791 -9.671 2.581 7.359
75 HD11 LEU 791 HD11 LEU 791 -9.810 5.231 5.935
76 HD12 LEU 791 HD12 LEU 791 -9.102 3.751 5.292
77 HD13 LEU 791 HD13 LEU 791 -8.386 4.531 6.701
78 HD21 LEU 791 HD21 LEU 791 -9.563 4.494 8.877
79 HD22 LEU 791 HD22 LEU 791 -11.066 3.593 9.067
80 HD23 LEU 791 HD23 LEU 791 -11.058 5.124 8.188
81 H ASP 792 HN ASP 792 -13.985 5.549 4.415
82 HA ASP 792 HA ASP 792 -15.772 3.414 3.796
83 HB2 ASP 792 HB2 ASP 792 -16.904 5.189 2.380
84 HB3 ASP 792 HB1 ASP 792 -16.755 5.550 4.095
85 H LYS 793 HN LYS 793 -14.126 2.042 2.800
86 HA LYS 793 HA LYS 793 -13.436 0.874 0.987
87 HB2 LYS 793 HB2 LYS 793 -15.016 2.931 -0.567
88 HB3 LYS 793 HB1 LYS 793 -14.269 1.506 -1.277
89 HG2 LYS 793 HG2 LYS 793 -15.700 0.045 -0.065
90 HG3 LYS 793 HG1 LYS 793 -16.307 1.369 0.931
91 HD2 LYS 793 HD2 LYS 793 -17.945 0.774 -0.755
92 HD3 LYS 793 HD1 LYS 793 -17.311 2.390 -1.069
93 HE2 LYS 793 HE2 LYS 793 -17.509 1.115 -3.133
94 HE3 LYS 793 HE1 LYS 793 -15.822 1.471 -2.773
95 HZ1 LYS 793 HZ1 LYS 793 -15.408 -0.720 -2.160
96 HZ2 LYS 793 HZ2 LYS 793 -16.399 -0.871 -3.528
97 HZ3 LYS 793 HZ3 LYS 793 -17.051 -1.100 -1.983
98 H LYS 794 HN LYS 794 -13.425 4.163 -0.327
99 HA LYS 794 HA LYS 794 -11.800 5.600 -0.913
100 HB2 LYS 794 HB2 LYS 794 -10.072 3.873 0.863
101 HB3 LYS 794 HB1 LYS 794 -9.555 5.395 0.151
102 HG2 LYS 794 HG2 LYS 794 -11.710 4.958 2.199
103 HG3 LYS 794 HG1 LYS 794 -10.200 5.856 2.376
104 HD2 LYS 794 HD2 LYS 794 -11.027 7.429 0.614
105 HD3 LYS 794 HD1 LYS 794 -12.579 6.592 0.682
106 HE2 LYS 794 HE2 LYS 794 -12.671 7.121 3.113
107 HE3 LYS 794 HE1 LYS 794 -11.215 8.092 2.908
108 HZ1 LYS 794 HZ1 LYS 794 -12.500 9.342 1.165
109 HZ2 LYS 794 HZ2 LYS 794 -13.003 9.575 2.768
110 HZ3 LYS 794 HZ3 LYS 794 -13.891 8.558 1.741
111 H ALA 795 HN ALA 795 -9.963 2.534 -0.793
112 HA ALA 795 HA ALA 795 -8.497 1.620 -2.257
113 HB1 ALA 795 HB1 ALA 795 -10.506 1.250 -3.612
114 HB2 ALA 795 HB2 ALA 795 -9.089 1.556 -4.617
115 HB3 ALA 795 HB3 ALA 795 -10.284 2.828 -4.368
116 H ASN 796 HN ASN 796 -8.005 4.230 -1.195
117 HA ASN 796 HA ASN 796 -6.665 5.728 -3.245
118 HB2 ASN 796 HB2 ASN 796 -5.681 6.962 -1.189
119 HB3 ASN 796 HB1 ASN 796 -7.390 7.143 -1.546
120 HD21 ASN 796 HD21 ASN 796 -5.863 4.362 0.014
121 HD22 ASN 796 HD22 ASN 796 -6.657 4.569 1.539
122 H LEU 797 HN LEU 797 -5.202 4.387 -4.197
123 HA LEU 797 HA LEU 797 -3.233 3.002 -2.556
124 HB2 LEU 797 HB2 LEU 797 -3.470 2.974 -5.541
125 HB3 LEU 797 HB1 LEU 797 -2.699 1.791 -4.508
126 HG LEU 797 HG LEU 797 -5.676 2.274 -4.624
127 HD11 LEU 797 HD11 LEU 797 -4.844 1.393 -6.738
128 HD12 LEU 797 HD12 LEU 797 -5.784 0.178 -5.872
129 HD13 LEU 797 HD13 LEU 797 -4.022 0.089 -5.882
130 HD21 LEU 797 HD21 LEU 797 -5.831 0.169 -3.403
131 HD22 LEU 797 HD22 LEU 797 -4.914 1.369 -2.490
132 HD23 LEU 797 HD23 LEU 797 -4.072 0.070 -3.334
133 H LEU 798 HN LEU 798 -1.090 3.376 -2.725
134 HA LEU 798 HA LEU 798 -0.041 5.278 -4.654
135 HB2 LEU 798 HB2 LEU 798 1.004 6.758 -3.145
136 HB3 LEU 798 HB1 LEU 798 -0.659 6.657 -2.627
137 HG LEU 798 HG LEU 798 0.616 6.738 -0.668
138 HD11 LEU 798 HD11 LEU 798 0.003 3.832 -1.122
139 HD12 LEU 798 HD12 LEU 798 -1.121 5.062 -0.542
140 HD13 LEU 798 HD13 LEU 798 0.272 4.603 0.440
141 HD21 LEU 798 HD21 LEU 798 2.489 5.098 -0.246
142 HD22 LEU 798 HD22 LEU 798 2.805 6.379 -1.417
143 HD23 LEU 798 HD23 LEU 798 2.431 4.747 -1.978
144 H LYS 799 HN LYS 799 2.161 4.961 -5.068
145 HA LYS 799 HA LYS 799 2.590 2.205 -4.323
146 HB2 LYS 799 HB2 LYS 799 3.863 1.920 -6.471
147 HB3 LYS 799 HB1 LYS 799 2.227 2.515 -6.732
148 HG2 LYS 799 HG2 LYS 799 3.156 4.821 -6.847
149 HG3 LYS 799 HG1 LYS 799 4.769 4.122 -6.763
150 HD2 LYS 799 HD2 LYS 799 4.462 2.991 -8.841
151 HD3 LYS 799 HD1 LYS 799 2.752 3.429 -8.889
152 HE2 LYS 799 HE2 LYS 799 5.076 5.351 -9.010
153 HE3 LYS 799 HE1 LYS 799 4.086 4.844 -10.379
154 HZ1 LYS 799 HZ1 LYS 799 3.390 6.999 -9.517
155 HZ2 LYS 799 HZ2 LYS 799 3.102 6.320 -7.993
156 HZ3 LYS 799 HZ3 LYS 799 2.160 5.847 -9.321
157 H CYS 800 HN CYS 800 4.248 1.353 -3.526
158 HA CYS 800 HA CYS 800 6.142 2.498 -2.003
159 HB2 CYS 800 HB2 CYS 800 5.784 0.216 -1.823
160 HB3 CYS 800 HB1 CYS 800 5.945 -0.047 -3.553
161 H GLU 801 HN GLU 801 7.630 4.026 -2.577
162 HA GLU 801 HA GLU 801 8.581 4.412 -5.212
163 HB2 GLU 801 HB2 GLU 801 9.608 5.515 -2.600
164 HB3 GLU 801 HB1 GLU 801 10.038 6.112 -4.198
165 HG2 GLU 801 HG2 GLU 801 7.655 6.633 -4.599
166 HG3 GLU 801 HG1 GLU 801 7.306 6.138 -2.943
167 H TYR 802 HN TYR 802 9.353 1.747 -3.777
168 HA TYR 802 HA TYR 802 12.149 1.919 -4.691
169 HB2 TYR 802 HB2 TYR 802 11.833 1.020 -2.374
170 HB3 TYR 802 HB1 TYR 802 10.904 -0.312 -3.063
171 HD1 TYR 802 HD2 TYR 802 14.252 1.186 -2.772
172 HD2 TYR 802 HD1 TYR 802 12.008 -2.133 -4.210
173 HE1 TYR 802 HE2 TYR 802 16.340 -0.061 -3.135
174 HE2 TYR 802 HE1 TYR 802 14.092 -3.385 -4.577
175 HH TYR 802 HH TYR 802 17.160 -2.261 -3.410
176 H CYS 803 HN CYS 803 9.126 0.126 -4.994
177 HA CYS 803 HA CYS 803 10.182 -1.160 -7.428
178 HB2 CYS 803 HB2 CYS 803 8.397 -2.899 -6.970
179 HB3 CYS 803 HB1 CYS 803 9.719 -2.851 -5.808
180 H GLY 804 HN GLY 804 7.445 0.602 -6.099
181 HA2 GLY 804 HA2 GLY 804 6.194 2.089 -7.449
182 HA3 GLY 804 HA1 GLY 804 6.654 1.150 -8.863
183 H LYS 805 HN LYS 805 5.602 -0.511 -6.029
184 HA LYS 805 HA LYS 805 3.426 -1.628 -7.582
185 HB2 LYS 805 HB2 LYS 805 5.153 -2.778 -5.856
186 HB3 LYS 805 HB1 LYS 805 3.827 -2.417 -4.759
187 HG2 LYS 805 HG2 LYS 805 2.290 -3.667 -6.167
188 HG3 LYS 805 HG1 LYS 805 3.606 -4.006 -7.293
189 HD2 LYS 805 HD2 LYS 805 3.603 -4.835 -4.394
190 HD3 LYS 805 HD1 LYS 805 3.102 -5.880 -5.724
191 HE2 LYS 805 HE2 LYS 805 5.813 -4.581 -5.527
192 HE3 LYS 805 HE1 LYS 805 5.462 -6.213 -4.962
193 HZ1 LYS 805 HZ1 LYS 805 4.845 -6.830 -7.214
194 HZ2 LYS 805 HZ2 LYS 805 6.427 -6.215 -7.178
195 HZ3 LYS 805 HZ3 LYS 805 5.160 -5.251 -7.764
196 H TYR 806 HN TYR 806 1.285 -1.210 -7.192
197 HA TYR 806 HA TYR 806 0.732 1.043 -5.416
198 HB2 TYR 806 HB2 TYR 806 -0.841 -0.305 -7.586
199 HB3 TYR 806 HB1 TYR 806 -1.634 0.745 -6.425
200 HD1 TYR 806 HD2 TYR 806 -0.671 3.119 -6.170
201 HD2 TYR 806 HD1 TYR 806 0.121 0.608 -9.509
202 HE1 TYR 806 HE2 TYR 806 -0.068 5.093 -7.499
203 HE2 TYR 806 HE1 TYR 806 0.728 2.578 -10.851
204 HH TYR 806 HH TYR 806 0.113 5.148 -10.749
205 H ALA 807 HN ALA 807 -0.233 0.962 -3.601
206 HA ALA 807 HA ALA 807 -1.775 -1.359 -2.773
207 HB1 ALA 807 HB1 ALA 807 -0.397 -1.739 -0.780
208 HB2 ALA 807 HB2 ALA 807 0.738 -0.504 -1.325
209 HB3 ALA 807 HB3 ALA 807 0.540 -1.990 -2.252
210 HA PRO 808 HA PRO 808 -3.988 1.737 -0.554
211 HB2 PRO 808 HB2 PRO 808 -4.372 -0.176 1.647
212 HB3 PRO 808 HB1 PRO 808 -5.575 0.575 0.599
213 HG2 PRO 808 HG2 PRO 808 -4.943 -2.032 0.397
214 HG3 PRO 808 HG1 PRO 808 -5.383 -1.055 -1.016
215 HD2 PRO 808 HD2 PRO 808 -2.684 -1.938 -0.084
216 HD3 PRO 808 HD1 PRO 808 -3.324 -1.822 -1.737
217 H ALA 809 HN ALA 809 -3.229 3.336 0.566
218 HA ALA 809 HA ALA 809 -0.884 3.662 1.817
219 HB1 ALA 809 HB1 ALA 809 -2.476 5.457 1.367
220 HB2 ALA 809 HB2 ALA 809 -1.825 5.560 3.003
221 HB3 ALA 809 HB3 ALA 809 -3.453 4.935 2.739
222 H GLU 810 HN GLU 810 -3.552 1.972 3.275
223 HA GLU 810 HA GLU 810 -2.817 2.159 5.983
224 HB2 GLU 810 HB2 GLU 810 -4.499 0.262 4.404
225 HB3 GLU 810 HB1 GLU 810 -4.110 -0.100 6.082
226 HG2 GLU 810 HG2 GLU 810 -5.459 2.406 5.097
227 HG3 GLU 810 HG1 GLU 810 -6.260 1.037 5.872
228 H GLN 811 HN GLN 811 -1.446 0.262 3.413
229 HA GLN 811 HA GLN 811 -0.309 -1.686 5.213
230 HB2 GLN 811 HB2 GLN 811 -1.029 -2.224 2.858
231 HB3 GLN 811 HB1 GLN 811 0.306 -1.240 2.288
232 HG2 GLN 811 HG2 GLN 811 1.803 -2.778 3.665
233 HG3 GLN 811 HG1 GLN 811 0.405 -3.840 3.781
234 HE21 GLN 811 HE21 GLN 811 1.367 -1.899 0.974
235 HE22 GLN 811 HE22 GLN 811 1.665 -3.250 -0.058
236 H PHE 812 HN PHE 812 0.354 1.425 4.723
237 HA PHE 812 HA PHE 812 3.234 1.129 4.282
238 HB2 PHE 812 HB2 PHE 812 1.372 3.471 3.886
239 HB3 PHE 812 HB1 PHE 812 3.124 3.654 3.893
240 HD1 PHE 812 HD1 PHE 812 0.492 1.552 2.279
241 HD2 PHE 812 HD2 PHE 812 4.227 3.553 1.887
242 HE1 PHE 812 HE1 PHE 812 0.585 0.909 -0.092
243 HE2 PHE 812 HE2 PHE 812 4.326 2.914 -0.484
244 HZ PHE 812 HZ PHE 812 2.507 1.590 -1.474
245 H ARG 813 HN ARG 813 2.456 0.297 6.644
246 HA ARG 813 HA ARG 813 2.746 2.339 8.677
247 HB2 ARG 813 HB2 ARG 813 2.925 -0.672 8.903
248 HB3 ARG 813 HB1 ARG 813 2.784 0.462 10.238
249 HG2 ARG 813 HG2 ARG 813 0.697 0.025 8.113
250 HG3 ARG 813 HG1 ARG 813 0.680 -0.699 9.719
251 HD2 ARG 813 HD2 ARG 813 -0.652 1.090 10.138
252 HD3 ARG 813 HD1 ARG 813 0.909 1.851 10.440
253 HE ARG 813 HE ARG 813 0.761 2.785 8.177
254 HH11 ARG 813 HH11 ARG 813 -2.179 1.589 9.667
255 HH12 ARG 813 HH12 ARG 813 -3.229 2.567 8.677
256 HH21 ARG 813 HH21 ARG 813 -0.644 4.095 6.888
257 HH22 ARG 813 HH22 ARG 813 -2.359 3.970 7.113
258 H GLY 814 HN GLY 814 4.599 2.796 9.825
259 HA2 GLY 814 HA2 GLY 814 6.890 2.579 10.356
260 HA3 GLY 814 HA1 GLY 814 7.079 1.462 9.009
261 H SER 815 HN SER 815 6.179 2.714 6.873
262 HA SER 815 HA SER 815 6.994 5.473 6.768
263 HB2 SER 815 HB2 SER 815 8.747 5.116 5.052
264 HB3 SER 815 HB1 SER 815 9.183 4.405 6.605
265 HG SER 815 HG SER 815 7.888 2.550 5.245
266 H LYS 816 HN LYS 816 5.852 6.517 5.285
267 HA LYS 816 HA LYS 816 4.001 5.109 3.576
268 HB2 LYS 816 HB2 LYS 816 4.023 7.550 4.787
269 HB3 LYS 816 HB1 LYS 816 4.488 8.004 3.156
270 HG2 LYS 816 HG2 LYS 816 2.122 8.215 3.372
271 HG3 LYS 816 HG1 LYS 816 2.465 6.844 2.313
272 HD2 LYS 816 HD2 LYS 816 2.007 5.286 4.063
273 HD3 LYS 816 HD1 LYS 816 1.918 6.576 5.263
274 HE2 LYS 816 HE2 LYS 816 0.040 6.263 2.930
275 HE3 LYS 816 HE1 LYS 816 -0.297 5.717 4.572
276 HZ1 LYS 816 HZ1 LYS 816 0.009 8.057 5.293
277 HZ2 LYS 816 HZ2 LYS 816 -1.316 7.825 4.262
278 HZ3 LYS 816 HZ3 LYS 816 0.113 8.514 3.662
279 H ARG 817 HN ARG 817 7.068 5.084 3.223
280 HA ARG 817 HA ARG 817 7.488 6.258 0.556
281 HB2 ARG 817 HB2 ARG 817 9.412 4.963 2.478
282 HB3 ARG 817 HB1 ARG 817 9.813 5.848 1.012
283 HG2 ARG 817 HG2 ARG 817 8.820 7.880 2.027
284 HG3 ARG 817 HG1 ARG 817 8.589 6.971 3.520
285 HD2 ARG 817 HD2 ARG 817 10.610 8.226 3.726
286 HD3 ARG 817 HD1 ARG 817 11.041 6.524 3.546
287 HE ARG 817 HE ARG 817 11.336 7.189 1.075
288 HH11 ARG 817 HH11 ARG 817 12.033 9.262 3.816
289 HH12 ARG 817 HH12 ARG 817 13.257 10.167 2.971
290 HH21 ARG 817 HH21 ARG 817 12.941 8.366 -0.019
291 HH22 ARG 817 HH22 ARG 817 13.766 9.667 0.788
292 H PHE 818 HN PHE 818 7.417 3.186 2.300
293 HA PHE 818 HA PHE 818 7.669 1.815 -0.274
294 HB2 PHE 818 HB2 PHE 818 8.883 0.909 2.340
295 HB3 PHE 818 HB1 PHE 818 9.035 0.118 0.776
296 HD1 PHE 818 HD2 PHE 818 10.114 1.535 -1.117
297 HD2 PHE 818 HD1 PHE 818 10.507 2.391 3.035
298 HE1 PHE 818 HE2 PHE 818 12.123 2.874 -1.585
299 HE2 PHE 818 HE1 PHE 818 12.513 3.735 2.572
300 HZ PHE 818 HZ PHE 818 13.324 3.979 0.261
301 H CYS 819 HN CYS 819 6.777 -0.383 -0.132
302 HA CYS 819 HA CYS 819 4.385 -0.620 1.424
303 HB2 CYS 819 HB2 CYS 819 4.593 -3.044 0.404
304 HB3 CYS 819 HB1 CYS 819 4.179 -1.705 -0.644
305 H SER 820 HN SER 820 5.066 -3.560 2.071
306 HA SER 820 HA SER 820 5.158 -2.701 4.797
307 HB2 SER 820 HB2 SER 820 4.856 -5.187 5.175
308 HB3 SER 820 HB1 SER 820 3.613 -4.376 4.208
309 HG SER 820 HG SER 820 4.311 -6.348 3.249
310 H MET 821 HN MET 821 6.653 -5.684 4.881
311 HA MET 821 HA MET 821 8.814 -4.300 6.213
312 HB2 MET 821 HB2 MET 821 7.829 -7.108 6.183
313 HB3 MET 821 HB1 MET 821 9.471 -6.786 6.724
314 HG2 MET 821 HG2 MET 821 7.277 -5.155 7.855
315 HG3 MET 821 HG1 MET 821 7.431 -6.826 8.391
316 HE1 MET 821 HE1 MET 821 10.492 -3.443 9.120
317 HE2 MET 821 HE2 MET 821 8.930 -3.263 8.324
318 HE3 MET 821 HE3 MET 821 10.257 -4.073 7.490
319 H THR 822 HN THR 822 8.657 -6.999 3.916
320 HA THR 822 HA THR 822 11.291 -7.350 3.309
321 HB THR 822 HB THR 822 9.064 -7.360 1.268
322 HG1 THR 822 HG1 THR 822 9.882 -9.693 2.591
323 HG21 THR 822 HG21 THR 822 11.287 -7.579 0.287
324 HG22 THR 822 HG22 THR 822 10.406 -9.104 0.181
325 HG23 THR 822 HG23 THR 822 11.664 -8.893 1.401
326 H CYS 823 HN CYS 823 9.186 -4.898 1.750
327 HA CYS 823 HA CYS 823 11.282 -4.167 -0.023
328 HB2 CYS 823 HB2 CYS 823 8.757 -3.957 -0.426
329 HB3 CYS 823 HB1 CYS 823 8.876 -2.458 0.493
330 H ALA 824 HN ALA 824 9.869 -2.554 2.869
331 HA ALA 824 HA ALA 824 11.552 -0.333 2.833
332 HB1 ALA 824 HB1 ALA 824 11.071 -0.142 5.213
333 HB2 ALA 824 HB2 ALA 824 10.439 -1.788 5.227
334 HB3 ALA 824 HB3 ALA 824 9.610 -0.533 4.303
335 H LYS 825 HN LYS 825 12.051 -3.622 4.163
336 HA LYS 825 HA LYS 825 14.570 -3.168 5.233
337 HB2 LYS 825 HB2 LYS 825 13.534 -5.714 3.982
338 HB3 LYS 825 HB1 LYS 825 14.946 -5.600 5.021
339 HG2 LYS 825 HG2 LYS 825 12.058 -5.228 5.743
340 HG3 LYS 825 HG1 LYS 825 13.214 -6.393 6.385
341 HD2 LYS 825 HD2 LYS 825 13.272 -3.411 6.804
342 HD3 LYS 825 HD1 LYS 825 12.768 -4.616 7.988
343 HE2 LYS 825 HE2 LYS 825 15.523 -4.383 6.777
344 HE3 LYS 825 HE1 LYS 825 15.065 -3.839 8.389
345 HZ1 LYS 825 HZ1 LYS 825 15.037 -6.647 7.407
346 HZ2 LYS 825 HZ2 LYS 825 14.511 -6.151 8.939
347 HZ3 LYS 825 HZ3 LYS 825 16.138 -5.970 8.507
348 H ARG 826 HN ARG 826 13.498 -3.884 1.996
349 HA ARG 826 HA ARG 826 15.949 -4.689 0.837
350 HB2 ARG 826 HB2 ARG 826 13.767 -5.284 -0.084
351 HB3 ARG 826 HB1 ARG 826 13.451 -3.596 -0.457
352 HG2 ARG 826 HG2 ARG 826 14.114 -4.811 -2.442
353 HG3 ARG 826 HG1 ARG 826 15.318 -3.590 -2.031
354 HD2 ARG 826 HD2 ARG 826 16.639 -5.381 -0.911
355 HD3 ARG 826 HD1 ARG 826 15.482 -6.558 -1.528
356 HE ARG 826 HE ARG 826 16.655 -4.867 -3.551
357 HH11 ARG 826 HH11 ARG 826 17.002 -7.829 -1.712
358 HH12 ARG 826 HH12 ARG 826 18.016 -8.599 -2.905
359 HH21 ARG 826 HH21 ARG 826 18.031 -5.854 -5.092
360 HH22 ARG 826 HH22 ARG 826 18.588 -7.480 -4.825
361 H TYR 827 HN TYR 827 14.457 -1.558 1.345
362 HA TYR 827 HA TYR 827 15.843 0.040 -0.390
363 HB2 TYR 827 HB2 TYR 827 14.115 0.913 1.019
364 HB3 TYR 827 HB1 TYR 827 15.074 0.607 2.469
365 HD1 TYR 827 HD1 TYR 827 15.288 2.484 -0.763
366 HD2 TYR 827 HD2 TYR 827 16.265 2.373 3.382
367 HE1 TYR 827 HE1 TYR 827 16.236 4.747 -0.927
368 HE2 TYR 827 HE2 TYR 827 17.214 4.634 3.223
369 HH TYR 827 HH TYR 827 16.681 6.678 0.631
370 H ASN 828 HN ASN 828 16.910 -1.584 2.478
371 HA ASN 828 HA ASN 828 18.886 -1.909 3.513
372 HB2 ASN 828 HB2 ASN 828 20.014 -0.847 0.915
373 HB3 ASN 828 HB1 ASN 828 20.974 -1.587 2.190
374 HD21 ASN 828 HD21 ASN 828 18.952 -3.552 2.852
375 HD22 ASN 828 HD22 ASN 828 18.951 -4.712 1.572
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -22.465 -6.710 4.264
2 H2 GLY 1 HT2 GLY 1 -21.235 -5.946 3.382
3 H3 GLY 1 HT3 GLY 1 -22.825 -5.957 2.790
4 HA2 GLY 1 HA1 GLY 1 -23.575 -4.562 4.567
5 HA3 GLY 1 HA2 GLY 1 -21.979 -4.625 5.303
6 H THR 2 HN THR 2 -20.785 -2.888 4.961
7 HA THR 2 HA THR 2 -21.508 -0.993 2.906
8 HB THR 2 HB THR 2 -19.144 -0.889 4.790
9 HG1 THR 2 HG1 THR 2 -21.783 -0.746 5.345
10 HG21 THR 2 HG21 THR 2 -18.996 0.692 2.943
11 HG22 THR 2 HG22 THR 2 -19.337 1.549 4.445
12 HG23 THR 2 HG23 THR 2 -20.629 1.269 3.278
13 H ARG 3 HN ARG 3 -20.979 -1.681 0.899
14 HA ARG 3 HA ARG 3 -18.191 -2.512 0.424
15 HB2 ARG 3 HB2 ARG 3 -20.618 -3.175 -1.256
16 HB3 ARG 3 HB1 ARG 3 -18.984 -3.776 -1.491
17 HG2 ARG 3 HG2 ARG 3 -19.135 -4.939 0.681
18 HG3 ARG 3 HG1 ARG 3 -20.810 -4.399 0.819
19 HD2 ARG 3 HD2 ARG 3 -19.649 -6.190 -1.310
20 HD3 ARG 3 HD1 ARG 3 -20.768 -6.655 -0.029
21 HE ARG 3 HE ARG 3 -22.378 -5.072 -1.149
22 HH11 ARG 3 HH11 ARG 3 -19.860 -6.771 -2.896
23 HH12 ARG 3 HH12 ARG 3 -20.674 -6.665 -4.433
24 HH21 ARG 3 HH21 ARG 3 -23.467 -4.959 -3.159
25 HH22 ARG 3 HH22 ARG 3 -22.723 -5.621 -4.582
26 H GLY 783 HN GLY 783 -17.198 -1.754 -1.523
27 HA2 GLY 783 HA2 GLY 783 -17.913 0.928 -2.223
28 HA3 GLY 783 HA1 GLY 783 -16.619 -0.028 -2.937
29 H VAL 784 HN VAL 784 -19.834 1.097 -3.256
30 HA VAL 784 HA VAL 784 -19.992 -0.156 -5.919
31 HB VAL 784 HB VAL 784 -22.381 0.380 -4.134
32 HG11 VAL 784 HG11 VAL 784 -22.917 0.510 -6.489
33 HG12 VAL 784 HG12 VAL 784 -23.596 -0.968 -5.808
34 HG13 VAL 784 HG13 VAL 784 -22.129 -1.041 -6.783
35 HG21 VAL 784 HG21 VAL 784 -22.571 -2.041 -3.859
36 HG22 VAL 784 HG22 VAL 784 -21.041 -1.446 -3.209
37 HG23 VAL 784 HG23 VAL 784 -21.077 -2.267 -4.771
38 H ASP 785 HN ASP 785 -18.990 1.817 -6.623
39 HA ASP 785 HA ASP 785 -18.829 3.998 -7.241
40 HB2 ASP 785 HB2 ASP 785 -21.726 3.384 -7.729
41 HB3 ASP 785 HB1 ASP 785 -21.105 5.008 -8.014
42 H SER 786 HN SER 786 -18.883 3.641 -4.522
43 HA SER 786 HA SER 786 -20.714 5.307 -3.163
44 HB2 SER 786 HB2 SER 786 -17.929 4.505 -2.289
45 HB3 SER 786 HB1 SER 786 -19.275 4.975 -1.250
46 HG SER 786 HG SER 786 -19.295 2.790 -1.214
47 HA PRO 787 HA PRO 787 -18.974 9.256 -4.260
48 HB2 PRO 787 HB2 PRO 787 -20.477 10.333 -1.986
49 HB3 PRO 787 HB1 PRO 787 -20.699 10.625 -3.714
50 HG2 PRO 787 HG2 PRO 787 -22.471 9.196 -2.280
51 HG3 PRO 787 HG1 PRO 787 -22.109 8.813 -3.974
52 HD2 PRO 787 HD2 PRO 787 -21.076 7.507 -1.478
53 HD3 PRO 787 HD1 PRO 787 -21.672 6.755 -2.975
54 H SER 788 HN SER 788 -17.647 7.496 -2.176
55 HA SER 788 HA SER 788 -15.900 9.553 -1.115
56 HB2 SER 788 HB2 SER 788 -17.592 9.130 0.681
57 HB3 SER 788 HB1 SER 788 -17.116 7.433 0.683
58 HG SER 788 HG SER 788 -15.053 9.271 0.959
59 H ALA 789 HN ALA 789 -13.917 8.945 -1.607
60 HA ALA 789 HA ALA 789 -13.402 6.578 -3.012
61 HB1 ALA 789 HB1 ALA 789 -11.066 7.267 -2.979
62 HB2 ALA 789 HB2 ALA 789 -11.424 8.454 -1.726
63 HB3 ALA 789 HB3 ALA 789 -12.123 8.635 -3.335
64 H GLU 790 HN GLU 790 -13.016 7.394 0.369
65 HA GLU 790 HA GLU 790 -11.283 5.381 1.191
66 HB2 GLU 790 HB2 GLU 790 -13.606 6.542 2.735
67 HB3 GLU 790 HB1 GLU 790 -12.270 5.638 3.431
68 HG2 GLU 790 HG2 GLU 790 -11.569 7.759 3.851
69 HG3 GLU 790 HG1 GLU 790 -10.846 7.525 2.260
70 H LEU 791 HN LEU 791 -14.572 5.107 0.181
71 HA LEU 791 HA LEU 791 -15.038 2.702 1.710
72 HB2 LEU 791 HB2 LEU 791 -16.751 4.080 -0.355
73 HB3 LEU 791 HB1 LEU 791 -17.250 2.697 0.600
74 HG LEU 791 HG LEU 791 -16.544 5.414 1.708
75 HD11 LEU 791 HD11 LEU 791 -19.207 4.040 1.400
76 HD12 LEU 791 HD12 LEU 791 -18.642 5.424 0.464
77 HD13 LEU 791 HD13 LEU 791 -18.926 5.586 2.197
78 HD21 LEU 791 HD21 LEU 791 -17.378 4.529 3.823
79 HD22 LEU 791 HD22 LEU 791 -16.005 3.585 3.243
80 HD23 LEU 791 HD23 LEU 791 -17.643 2.957 3.067
81 H ASP 792 HN ASP 792 -13.080 3.048 -0.637
82 HA ASP 792 HA ASP 792 -13.940 0.837 -2.332
83 HB2 ASP 792 HB2 ASP 792 -12.846 2.782 -3.389
84 HB3 ASP 792 HB1 ASP 792 -11.414 2.512 -2.403
85 H LYS 793 HN LYS 793 -12.676 1.186 0.592
86 HA LYS 793 HA LYS 793 -11.750 -0.214 2.107
87 HB2 LYS 793 HB2 LYS 793 -11.584 -2.188 -0.175
88 HB3 LYS 793 HB1 LYS 793 -11.163 -2.550 1.491
89 HG2 LYS 793 HG2 LYS 793 -13.882 -1.719 0.503
90 HG3 LYS 793 HG1 LYS 793 -13.393 -3.354 0.953
91 HD2 LYS 793 HD2 LYS 793 -12.910 -2.519 3.242
92 HD3 LYS 793 HD1 LYS 793 -13.543 -0.944 2.758
93 HE2 LYS 793 HE2 LYS 793 -15.710 -1.953 2.275
94 HE3 LYS 793 HE1 LYS 793 -15.083 -3.537 2.734
95 HZ1 LYS 793 HZ1 LYS 793 -16.269 -2.675 4.577
96 HZ2 LYS 793 HZ2 LYS 793 -15.490 -1.174 4.484
97 HZ3 LYS 793 HZ3 LYS 793 -14.622 -2.550 4.971
98 H LYS 794 HN LYS 794 -9.889 -1.071 -0.835
99 HA LYS 794 HA LYS 794 -7.445 -0.456 0.522
100 HB2 LYS 794 HB2 LYS 794 -6.444 -0.718 -1.831
101 HB3 LYS 794 HB1 LYS 794 -7.138 -2.138 -1.066
102 HG2 LYS 794 HG2 LYS 794 -8.948 -0.569 -2.796
103 HG3 LYS 794 HG1 LYS 794 -7.629 -1.427 -3.597
104 HD2 LYS 794 HD2 LYS 794 -8.338 -3.508 -2.488
105 HD3 LYS 794 HD1 LYS 794 -9.684 -2.640 -1.747
106 HE2 LYS 794 HE2 LYS 794 -9.250 -2.841 -4.723
107 HE3 LYS 794 HE1 LYS 794 -10.263 -3.954 -3.805
108 HZ1 LYS 794 HZ1 LYS 794 -11.664 -2.134 -3.155
109 HZ2 LYS 794 HZ2 LYS 794 -11.529 -2.148 -4.845
110 HZ3 LYS 794 HZ3 LYS 794 -10.662 -1.009 -3.934
111 H ALA 795 HN ALA 795 -9.264 0.990 -2.152
112 HA ALA 795 HA ALA 795 -9.626 3.141 -2.743
113 HB1 ALA 795 HB1 ALA 795 -9.159 3.462 0.198
114 HB2 ALA 795 HB2 ALA 795 -10.695 3.235 -0.637
115 HB3 ALA 795 HB3 ALA 795 -9.792 4.737 -0.843
116 H ASN 796 HN ASN 796 -7.568 4.344 -0.283
117 HA ASN 796 HA ASN 796 -6.150 5.949 -2.147
118 HB2 ASN 796 HB2 ASN 796 -5.096 6.967 -0.230
119 HB3 ASN 796 HB1 ASN 796 -6.806 6.759 0.089
120 HD21 ASN 796 HD21 ASN 796 -6.207 3.766 0.675
121 HD22 ASN 796 HD22 ASN 796 -5.591 3.811 2.286
122 H LEU 797 HN LEU 797 -4.870 4.705 -3.504
123 HA LEU 797 HA LEU 797 -2.886 3.015 -2.203
124 HB2 LEU 797 HB2 LEU 797 -3.471 3.137 -5.142
125 HB3 LEU 797 HB1 LEU 797 -2.651 1.868 -4.265
126 HG LEU 797 HG LEU 797 -5.599 2.502 -4.104
127 HD11 LEU 797 HD11 LEU 797 -4.989 1.516 -6.236
128 HD12 LEU 797 HD12 LEU 797 -5.878 0.353 -5.253
129 HD13 LEU 797 HD13 LEU 797 -4.127 0.218 -5.412
130 HD21 LEU 797 HD21 LEU 797 -4.765 1.634 -1.997
131 HD22 LEU 797 HD22 LEU 797 -3.997 0.285 -2.837
132 HD23 LEU 797 HD23 LEU 797 -5.757 0.427 -2.814
133 H LEU 798 HN LEU 798 -0.750 3.446 -2.484
134 HA LEU 798 HA LEU 798 0.139 5.362 -4.473
135 HB2 LEU 798 HB2 LEU 798 1.309 6.802 -3.018
136 HB3 LEU 798 HB1 LEU 798 -0.314 6.707 -2.389
137 HG LEU 798 HG LEU 798 1.095 6.748 -0.525
138 HD11 LEU 798 HD11 LEU 798 -0.642 5.083 -0.294
139 HD12 LEU 798 HD12 LEU 798 0.815 4.609 0.579
140 HD13 LEU 798 HD13 LEU 798 0.429 3.853 -0.966
141 HD21 LEU 798 HD21 LEU 798 2.782 4.703 -1.924
142 HD22 LEU 798 HD22 LEU 798 3.009 5.186 -0.241
143 HD23 LEU 798 HD23 LEU 798 3.205 6.369 -1.536
144 H LYS 799 HN LYS 799 2.319 5.044 -5.055
145 HA LYS 799 HA LYS 799 2.769 2.271 -4.430
146 HB2 LYS 799 HB2 LYS 799 3.975 2.016 -6.582
147 HB3 LYS 799 HB1 LYS 799 2.392 2.738 -6.834
148 HG2 LYS 799 HG2 LYS 799 3.417 4.945 -6.981
149 HG3 LYS 799 HG1 LYS 799 5.002 4.227 -6.715
150 HD2 LYS 799 HD2 LYS 799 4.889 3.032 -8.777
151 HD3 LYS 799 HD1 LYS 799 3.198 3.486 -9.012
152 HE2 LYS 799 HE2 LYS 799 5.520 5.415 -8.931
153 HE3 LYS 799 HE1 LYS 799 4.770 4.801 -10.406
154 HZ1 LYS 799 HZ1 LYS 799 2.656 5.777 -9.621
155 HZ2 LYS 799 HZ2 LYS 799 3.859 6.934 -9.907
156 HZ3 LYS 799 HZ3 LYS 799 3.488 6.478 -8.317
157 H CYS 800 HN CYS 800 4.371 1.377 -3.672
158 HA CYS 800 HA CYS 800 6.391 2.240 -2.173
159 HB2 CYS 800 HB2 CYS 800 5.601 -0.029 -2.532
160 HB3 CYS 800 HB1 CYS 800 6.220 -0.015 -4.166
161 H GLU 801 HN GLU 801 7.794 3.907 -2.751
162 HA GLU 801 HA GLU 801 8.610 4.420 -5.406
163 HB2 GLU 801 HB2 GLU 801 10.168 6.059 -4.404
164 HB3 GLU 801 HB1 GLU 801 8.520 6.217 -3.821
165 HG2 GLU 801 HG2 GLU 801 9.092 5.164 -1.747
166 HG3 GLU 801 HG1 GLU 801 10.714 4.803 -2.336
167 H TYR 802 HN TYR 802 9.413 1.765 -3.947
168 HA TYR 802 HA TYR 802 12.227 1.814 -4.767
169 HB2 TYR 802 HB2 TYR 802 11.748 0.964 -2.452
170 HB3 TYR 802 HB1 TYR 802 10.779 -0.323 -3.161
171 HD1 TYR 802 HD2 TYR 802 14.214 1.017 -2.863
172 HD2 TYR 802 HD1 TYR 802 11.802 -2.290 -4.031
173 HE1 TYR 802 HE2 TYR 802 16.225 -0.382 -3.037
174 HE2 TYR 802 HE1 TYR 802 13.813 -3.699 -4.200
175 HH TYR 802 HH TYR 802 16.328 -3.275 -4.609
176 H CYS 803 HN CYS 803 9.240 -0.078 -5.105
177 HA CYS 803 HA CYS 803 10.315 -1.135 -7.641
178 HB2 CYS 803 HB2 CYS 803 8.665 -3.028 -7.233
179 HB3 CYS 803 HB1 CYS 803 10.025 -2.951 -6.117
180 H GLY 804 HN GLY 804 7.587 0.566 -6.265
181 HA2 GLY 804 HA2 GLY 804 6.379 2.057 -7.637
182 HA3 GLY 804 HA1 GLY 804 6.837 1.102 -9.038
183 H LYS 805 HN LYS 805 5.674 -0.687 -6.353
184 HA LYS 805 HA LYS 805 3.344 -1.390 -7.912
185 HB2 LYS 805 HB2 LYS 805 4.415 -2.548 -5.331
186 HB3 LYS 805 HB1 LYS 805 3.029 -3.178 -6.214
187 HG2 LYS 805 HG2 LYS 805 4.475 -3.617 -8.143
188 HG3 LYS 805 HG1 LYS 805 5.857 -3.010 -7.232
189 HD2 LYS 805 HD2 LYS 805 5.552 -4.787 -5.584
190 HD3 LYS 805 HD1 LYS 805 4.159 -5.391 -6.488
191 HE2 LYS 805 HE2 LYS 805 6.979 -5.199 -7.544
192 HE3 LYS 805 HE1 LYS 805 6.214 -6.672 -6.950
193 HZ1 LYS 805 HZ1 LYS 805 5.264 -5.065 -9.265
194 HZ2 LYS 805 HZ2 LYS 805 4.582 -6.513 -8.708
195 HZ3 LYS 805 HZ3 LYS 805 6.142 -6.513 -9.370
196 H TYR 806 HN TYR 806 1.247 -0.911 -7.341
197 HA TYR 806 HA TYR 806 0.901 1.190 -5.351
198 HB2 TYR 806 HB2 TYR 806 -0.937 0.010 -7.433
199 HB3 TYR 806 HB1 TYR 806 -1.455 1.212 -6.256
200 HD1 TYR 806 HD1 TYR 806 0.550 0.614 -9.261
201 HD2 TYR 806 HD2 TYR 806 -0.704 3.506 -6.407
202 HE1 TYR 806 HE1 TYR 806 1.354 2.410 -10.733
203 HE2 TYR 806 HE2 TYR 806 0.091 5.311 -7.873
204 HH TYR 806 HH TYR 806 0.996 4.775 -11.126
205 H ALA 807 HN ALA 807 -0.049 1.015 -3.500
206 HA ALA 807 HA ALA 807 -1.691 -1.282 -2.807
207 HB1 ALA 807 HB1 ALA 807 -0.282 -1.928 -0.916
208 HB2 ALA 807 HB2 ALA 807 0.913 -0.719 -1.387
209 HB3 ALA 807 HB3 ALA 807 0.590 -2.098 -2.440
210 HA PRO 808 HA PRO 808 -3.630 1.707 -0.230
211 HB2 PRO 808 HB2 PRO 808 -4.416 0.233 1.923
212 HB3 PRO 808 HB1 PRO 808 -5.203 0.126 0.343
213 HG2 PRO 808 HG2 PRO 808 -3.160 -1.673 1.573
214 HG3 PRO 808 HG1 PRO 808 -4.606 -2.097 0.638
215 HD2 PRO 808 HD2 PRO 808 -2.122 -2.095 -0.435
216 HD3 PRO 808 HD1 PRO 808 -3.574 -1.700 -1.380
217 H ALA 809 HN ALA 809 -2.829 3.224 0.967
218 HA ALA 809 HA ALA 809 -0.406 3.408 2.116
219 HB1 ALA 809 HB1 ALA 809 -1.880 5.294 1.772
220 HB2 ALA 809 HB2 ALA 809 -1.240 5.300 3.417
221 HB3 ALA 809 HB3 ALA 809 -2.897 4.772 3.115
222 H GLU 810 HN GLU 810 -3.199 1.934 3.604
223 HA GLU 810 HA GLU 810 -2.485 1.889 6.309
224 HB2 GLU 810 HB2 GLU 810 -4.065 -0.055 4.638
225 HB3 GLU 810 HB1 GLU 810 -3.852 -0.257 6.368
226 HG2 GLU 810 HG2 GLU 810 -5.983 0.761 5.890
227 HG3 GLU 810 HG1 GLU 810 -4.945 1.895 6.753
228 H GLN 811 HN GLN 811 -1.391 -0.054 3.635
229 HA GLN 811 HA GLN 811 -0.194 -2.075 5.285
230 HB2 GLN 811 HB2 GLN 811 -0.984 -2.746 3.133
231 HB3 GLN 811 HB1 GLN 811 -0.093 -1.458 2.336
232 HG2 GLN 811 HG2 GLN 811 2.012 -2.557 3.028
233 HG3 GLN 811 HG1 GLN 811 1.055 -3.895 3.663
234 HE21 GLN 811 HE21 GLN 811 1.912 -2.112 0.793
235 HE22 GLN 811 HE22 GLN 811 1.560 -3.376 -0.337
236 H PHE 812 HN PHE 812 0.789 0.886 3.732
237 HA PHE 812 HA PHE 812 3.542 0.634 3.947
238 HB2 PHE 812 HB2 PHE 812 1.708 2.995 3.786
239 HB3 PHE 812 HB1 PHE 812 3.460 3.184 3.857
240 HD1 PHE 812 HD1 PHE 812 0.855 1.299 1.972
241 HD2 PHE 812 HD2 PHE 812 4.646 3.203 1.897
242 HE1 PHE 812 HE1 PHE 812 1.017 0.866 -0.444
243 HE2 PHE 812 HE2 PHE 812 4.822 2.782 -0.518
244 HZ PHE 812 HZ PHE 812 3.007 1.608 -1.690
245 H ARG 813 HN ARG 813 3.115 -0.389 6.260
246 HA ARG 813 HA ARG 813 3.343 1.449 8.494
247 HB2 ARG 813 HB2 ARG 813 3.996 -1.496 8.311
248 HB3 ARG 813 HB1 ARG 813 3.873 -0.548 9.785
249 HG2 ARG 813 HG2 ARG 813 1.639 -1.206 7.878
250 HG3 ARG 813 HG1 ARG 813 1.887 -1.880 9.486
251 HD2 ARG 813 HD2 ARG 813 0.244 -0.261 9.819
252 HD3 ARG 813 HD1 ARG 813 1.726 0.561 10.302
253 HE ARG 813 HE ARG 813 0.987 0.959 7.545
254 HH11 ARG 813 HH11 ARG 813 0.591 2.128 10.822
255 HH12 ARG 813 HH12 ARG 813 0.183 3.745 10.328
256 HH21 ARG 813 HH21 ARG 813 0.450 3.079 6.889
257 HH22 ARG 813 HH22 ARG 813 0.105 4.289 8.088
258 H GLY 814 HN GLY 814 5.154 2.111 9.498
259 HA2 GLY 814 HA2 GLY 814 7.492 2.244 9.865
260 HA3 GLY 814 HA1 GLY 814 7.749 1.307 8.397
261 H SER 815 HN SER 815 6.639 2.514 6.418
262 HA SER 815 HA SER 815 6.861 5.390 6.571
263 HB2 SER 815 HB2 SER 815 8.744 3.745 4.868
264 HB3 SER 815 HB1 SER 815 8.470 5.469 4.623
265 HG SER 815 HG SER 815 9.050 4.795 7.224
266 H LYS 816 HN LYS 816 5.442 6.327 5.230
267 HA LYS 816 HA LYS 816 3.868 4.779 3.369
268 HB2 LYS 816 HB2 LYS 816 3.912 7.574 4.365
269 HB3 LYS 816 HB1 LYS 816 3.231 7.327 2.767
270 HG2 LYS 816 HG2 LYS 816 1.492 7.323 4.447
271 HG3 LYS 816 HG1 LYS 816 1.625 5.736 3.695
272 HD2 LYS 816 HD2 LYS 816 1.318 5.471 6.073
273 HD3 LYS 816 HD1 LYS 816 2.950 4.970 5.639
274 HE2 LYS 816 HE2 LYS 816 2.855 6.304 7.714
275 HE3 LYS 816 HE1 LYS 816 3.862 7.033 6.465
276 HZ1 LYS 816 HZ1 LYS 816 2.332 8.701 6.083
277 HZ2 LYS 816 HZ2 LYS 816 2.195 8.495 7.763
278 HZ3 LYS 816 HZ3 LYS 816 1.035 7.823 6.728
279 H ARG 817 HN ARG 817 6.217 4.249 2.512
280 HA ARG 817 HA ARG 817 6.778 5.846 0.109
281 HB2 ARG 817 HB2 ARG 817 8.774 5.118 2.255
282 HB3 ARG 817 HB1 ARG 817 9.192 5.709 0.656
283 HG2 ARG 817 HG2 ARG 817 8.024 7.813 1.141
284 HG3 ARG 817 HG1 ARG 817 7.645 7.214 2.757
285 HD2 ARG 817 HD2 ARG 817 10.435 7.554 1.667
286 HD3 ARG 817 HD1 ARG 817 9.609 8.732 2.685
287 HE ARG 817 HE ARG 817 9.458 6.636 4.252
288 HH11 ARG 817 HH11 ARG 817 12.151 7.664 2.267
289 HH12 ARG 817 HH12 ARG 817 13.359 7.032 3.347
290 HH21 ARG 817 HH21 ARG 817 11.028 5.791 5.685
291 HH22 ARG 817 HH22 ARG 817 12.720 5.963 5.296
292 H PHE 818 HN PHE 818 7.054 2.902 2.022
293 HA PHE 818 HA PHE 818 7.631 1.437 -0.458
294 HB2 PHE 818 HB2 PHE 818 8.893 0.770 2.208
295 HB3 PHE 818 HB1 PHE 818 9.261 0.075 0.635
296 HD1 PHE 818 HD2 PHE 818 10.191 1.693 -1.148
297 HD2 PHE 818 HD1 PHE 818 10.173 2.514 3.024
298 HE1 PHE 818 HE2 PHE 818 11.998 3.329 -1.469
299 HE2 PHE 818 HE1 PHE 818 11.982 4.151 2.715
300 HZ PHE 818 HZ PHE 818 12.810 4.651 0.473
301 H CYS 819 HN CYS 819 6.547 -0.580 -0.576
302 HA CYS 819 HA CYS 819 4.223 -0.613 1.113
303 HB2 CYS 819 HB2 CYS 819 3.735 -2.691 -0.338
304 HB3 CYS 819 HB1 CYS 819 3.653 -1.099 -1.069
305 H SER 820 HN SER 820 5.130 -1.256 3.231
306 HA SER 820 HA SER 820 4.495 -2.828 4.646
307 HB2 SER 820 HB2 SER 820 4.275 -5.177 4.194
308 HB3 SER 820 HB1 SER 820 3.562 -4.292 2.851
309 HG SER 820 HG SER 820 5.711 -4.631 1.818
310 H MET 821 HN MET 821 6.194 -5.390 4.792
311 HA MET 821 HA MET 821 8.318 -4.056 6.232
312 HB2 MET 821 HB2 MET 821 7.281 -6.835 6.048
313 HB3 MET 821 HB1 MET 821 8.911 -6.586 6.653
314 HG2 MET 821 HG2 MET 821 7.289 -6.742 8.456
315 HG3 MET 821 HG1 MET 821 8.070 -5.168 8.426
316 HE1 MET 821 HE1 MET 821 5.327 -2.675 7.863
317 HE2 MET 821 HE2 MET 821 6.806 -3.079 6.991
318 HE3 MET 821 HE3 MET 821 6.797 -3.061 8.754
319 H THR 822 HN THR 822 8.267 -6.674 3.820
320 HA THR 822 HA THR 822 10.906 -7.031 3.190
321 HB THR 822 HB THR 822 8.702 -6.835 1.146
322 HG1 THR 822 HG1 THR 822 9.367 -8.847 3.044
323 HG21 THR 822 HG21 THR 822 11.011 -7.072 0.280
324 HG22 THR 822 HG22 THR 822 10.003 -8.475 -0.072
325 HG23 THR 822 HG23 THR 822 11.190 -8.547 1.231
326 H CYS 823 HN CYS 823 8.852 -4.569 1.647
327 HA CYS 823 HA CYS 823 10.939 -3.668 -0.059
328 HB2 CYS 823 HB2 CYS 823 8.271 -2.532 0.659
329 HB3 CYS 823 HB1 CYS 823 9.363 -1.798 -0.523
330 H ALA 824 HN ALA 824 9.544 -2.285 2.922
331 HA ALA 824 HA ALA 824 11.120 0.046 2.965
332 HB1 ALA 824 HB1 ALA 824 9.975 -1.497 5.279
333 HB2 ALA 824 HB2 ALA 824 9.141 -0.262 4.332
334 HB3 ALA 824 HB3 ALA 824 10.539 0.174 5.316
335 H LYS 825 HN LYS 825 11.590 -3.164 4.351
336 HA LYS 825 HA LYS 825 14.023 -2.763 5.628
337 HB2 LYS 825 HB2 LYS 825 12.722 -4.676 6.131
338 HB3 LYS 825 HB1 LYS 825 12.637 -5.168 4.454
339 HG2 LYS 825 HG2 LYS 825 15.275 -5.144 5.854
340 HG3 LYS 825 HG1 LYS 825 14.141 -6.463 6.135
341 HD2 LYS 825 HD2 LYS 825 14.026 -6.685 3.597
342 HD3 LYS 825 HD1 LYS 825 15.438 -5.632 3.552
343 HE2 LYS 825 HE2 LYS 825 16.323 -7.793 3.481
344 HE3 LYS 825 HE1 LYS 825 16.515 -7.296 5.163
345 HZ1 LYS 825 HZ1 LYS 825 14.580 -8.582 5.757
346 HZ2 LYS 825 HZ2 LYS 825 15.668 -9.577 4.915
347 HZ3 LYS 825 HZ3 LYS 825 14.290 -8.978 4.132
348 H ARG 826 HN ARG 826 13.281 -3.771 2.286
349 HA ARG 826 HA ARG 826 15.967 -4.550 1.831
350 HB2 ARG 826 HB2 ARG 826 14.064 -5.683 0.760
351 HB3 ARG 826 HB1 ARG 826 13.716 -4.227 -0.160
352 HG2 ARG 826 HG2 ARG 826 15.726 -4.439 -1.411
353 HG3 ARG 826 HG1 ARG 826 16.315 -5.726 -0.356
354 HD2 ARG 826 HD2 ARG 826 15.501 -6.677 -2.411
355 HD3 ARG 826 HD1 ARG 826 14.437 -7.144 -1.088
356 HE ARG 826 HE ARG 826 13.739 -4.902 -2.857
357 HH11 ARG 826 HH11 ARG 826 13.026 -8.009 -1.431
358 HH12 ARG 826 HH12 ARG 826 11.443 -8.114 -2.136
359 HH21 ARG 826 HH21 ARG 826 11.651 -5.049 -3.821
360 HH22 ARG 826 HH22 ARG 826 10.661 -6.441 -3.493
361 H TYR 827 HN TYR 827 14.340 -1.565 1.599
362 HA TYR 827 HA TYR 827 15.478 -0.340 -0.551
363 HB2 TYR 827 HB2 TYR 827 13.728 0.616 0.919
364 HB3 TYR 827 HB1 TYR 827 14.966 0.972 2.118
365 HD1 TYR 827 HD1 TYR 827 14.524 1.498 -1.555
366 HD2 TYR 827 HD2 TYR 827 15.599 3.183 2.196
367 HE1 TYR 827 HE1 TYR 827 14.920 3.658 -2.649
368 HE2 TYR 827 HE2 TYR 827 15.998 5.356 1.111
369 HH TYR 827 HH TYR 827 14.978 6.023 -2.077
370 H ASN 828 HN ASN 828 16.720 -0.671 2.733
371 HA ASN 828 HA ASN 828 18.665 -0.184 3.781
372 HB2 ASN 828 HB2 ASN 828 19.686 -1.226 1.138
373 HB3 ASN 828 HB1 ASN 828 20.735 -0.896 2.513
374 HD21 ASN 828 HD21 ASN 828 18.464 -3.055 1.113
375 HD22 ASN 828 HD22 ASN 828 18.542 -4.270 2.342
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -16.166 -11.627 4.080
2 H2 GLY 1 HT2 GLY 1 -14.547 -11.235 4.399
3 H3 GLY 1 HT3 GLY 1 -14.955 -12.796 3.873
4 HA2 GLY 1 HA1 GLY 1 -13.981 -11.520 2.079
5 HA3 GLY 1 HA2 GLY 1 -15.654 -11.947 1.743
6 H THR 2 HN THR 2 -16.629 -10.331 0.716
7 HA THR 2 HA THR 2 -15.782 -7.592 1.111
8 HB THR 2 HB THR 2 -18.098 -8.601 -0.556
9 HG1 THR 2 HG1 THR 2 -16.663 -8.825 -2.223
10 HG21 THR 2 HG21 THR 2 -16.454 -6.070 -0.748
11 HG22 THR 2 HG22 THR 2 -18.085 -6.182 -0.083
12 HG23 THR 2 HG23 THR 2 -17.804 -6.521 -1.790
13 H ARG 3 HN ARG 3 -16.365 -7.061 3.204
14 HA ARG 3 HA ARG 3 -19.176 -7.283 3.941
15 HB2 ARG 3 HB2 ARG 3 -16.702 -6.552 5.479
16 HB3 ARG 3 HB1 ARG 3 -18.305 -6.224 6.119
17 HG2 ARG 3 HG2 ARG 3 -18.621 -8.801 5.480
18 HG3 ARG 3 HG1 ARG 3 -16.883 -8.785 5.799
19 HD2 ARG 3 HD2 ARG 3 -18.245 -9.294 7.811
20 HD3 ARG 3 HD1 ARG 3 -17.240 -7.852 7.988
21 HE ARG 3 HE ARG 3 -19.995 -7.457 7.119
22 HH11 ARG 3 HH11 ARG 3 -17.698 -7.435 9.752
23 HH12 ARG 3 HH12 ARG 3 -18.622 -6.321 10.722
24 HH21 ARG 3 HH21 ARG 3 -21.208 -5.979 8.361
25 HH22 ARG 3 HH22 ARG 3 -20.610 -5.470 9.915
26 H GLY 783 HN GLY 783 -20.319 -5.769 2.901
27 HA2 GLY 783 HA2 GLY 783 -19.378 -2.982 3.162
28 HA3 GLY 783 HA1 GLY 783 -20.342 -3.569 1.814
29 H VAL 784 HN VAL 784 -21.816 -1.875 2.267
30 HA VAL 784 HA VAL 784 -23.583 -2.453 4.553
31 HB VAL 784 HB VAL 784 -24.372 -0.118 4.396
32 HG11 VAL 784 HG11 VAL 784 -21.384 -0.370 4.680
33 HG12 VAL 784 HG12 VAL 784 -22.582 -0.655 5.943
34 HG13 VAL 784 HG13 VAL 784 -22.367 0.965 5.280
35 HG21 VAL 784 HG21 VAL 784 -23.158 1.508 3.024
36 HG22 VAL 784 HG22 VAL 784 -23.953 0.286 2.032
37 HG23 VAL 784 HG23 VAL 784 -22.213 0.200 2.312
38 H ASP 785 HN ASP 785 -25.851 -1.160 3.757
39 HA ASP 785 HA ASP 785 -27.324 -2.824 2.259
40 HB2 ASP 785 HB2 ASP 785 -28.238 -0.858 3.413
41 HB3 ASP 785 HB1 ASP 785 -27.552 0.191 2.174
42 H SER 786 HN SER 786 -25.806 0.069 0.820
43 HA SER 786 HA SER 786 -26.077 -1.052 -1.835
44 HB2 SER 786 HB2 SER 786 -24.668 1.476 -0.928
45 HB3 SER 786 HB1 SER 786 -25.074 1.048 -2.590
46 HG SER 786 HG SER 786 -27.256 1.218 -2.082
47 HA PRO 787 HA PRO 787 -22.113 -3.100 -1.347
48 HB2 PRO 787 HB2 PRO 787 -22.439 -3.913 -4.130
49 HB3 PRO 787 HB1 PRO 787 -22.438 -4.910 -2.674
50 HG2 PRO 787 HG2 PRO 787 -24.665 -4.487 -4.154
51 HG3 PRO 787 HG1 PRO 787 -24.714 -4.739 -2.399
52 HD2 PRO 787 HD2 PRO 787 -24.884 -2.181 -3.953
53 HD3 PRO 787 HD1 PRO 787 -25.812 -2.697 -2.528
54 H SER 788 HN SER 788 -22.942 -0.571 -3.407
55 HA SER 788 HA SER 788 -20.416 -0.411 -4.797
56 HB2 SER 788 HB2 SER 788 -22.620 1.655 -4.665
57 HB3 SER 788 HB1 SER 788 -21.348 1.520 -5.880
58 HG SER 788 HG SER 788 -22.448 -0.779 -6.001
59 H ALA 789 HN ALA 789 -21.245 0.164 -1.706
60 HA ALA 789 HA ALA 789 -20.201 2.759 -1.231
61 HB1 ALA 789 HB1 ALA 789 -21.717 1.675 0.337
62 HB2 ALA 789 HB2 ALA 789 -20.202 2.118 1.124
63 HB3 ALA 789 HB3 ALA 789 -20.504 0.441 0.671
64 H GLU 790 HN GLU 790 -18.816 -0.478 -1.223
65 HA GLU 790 HA GLU 790 -16.329 0.153 -0.092
66 HB2 GLU 790 HB2 GLU 790 -17.170 -2.034 -1.980
67 HB3 GLU 790 HB1 GLU 790 -15.524 -1.867 -1.391
68 HG2 GLU 790 HG2 GLU 790 -17.086 -3.501 -0.194
69 HG3 GLU 790 HG1 GLU 790 -16.080 -2.427 0.771
70 H LEU 791 HN LEU 791 -17.562 0.702 -3.283
71 HA LEU 791 HA LEU 791 -15.049 0.981 -4.586
72 HB2 LEU 791 HB2 LEU 791 -17.740 2.120 -5.334
73 HB3 LEU 791 HB1 LEU 791 -16.339 2.062 -6.386
74 HG LEU 791 HG LEU 791 -17.816 -0.343 -5.307
75 HD11 LEU 791 HD11 LEU 791 -17.749 0.851 -8.074
76 HD12 LEU 791 HD12 LEU 791 -19.120 0.882 -6.964
77 HD13 LEU 791 HD13 LEU 791 -18.548 -0.654 -7.616
78 HD21 LEU 791 HD21 LEU 791 -15.541 -0.150 -7.276
79 HD22 LEU 791 HD22 LEU 791 -16.418 -1.619 -6.853
80 HD23 LEU 791 HD23 LEU 791 -15.442 -0.795 -5.636
81 H ASP 792 HN ASP 792 -16.333 2.677 -2.198
82 HA ASP 792 HA ASP 792 -14.608 4.950 -2.714
83 HB2 ASP 792 HB2 ASP 792 -16.831 5.649 -3.560
84 HB3 ASP 792 HB1 ASP 792 -17.532 5.284 -1.988
85 H LYS 793 HN LYS 793 -15.194 2.492 -0.885
86 HA LYS 793 HA LYS 793 -15.630 3.606 1.684
87 HB2 LYS 793 HB2 LYS 793 -15.836 1.470 2.362
88 HB3 LYS 793 HB1 LYS 793 -15.784 1.090 0.652
89 HG2 LYS 793 HG2 LYS 793 -13.409 0.625 0.802
90 HG3 LYS 793 HG1 LYS 793 -13.425 1.046 2.516
91 HD2 LYS 793 HD2 LYS 793 -14.995 -1.188 1.233
92 HD3 LYS 793 HD1 LYS 793 -13.519 -1.379 2.179
93 HE2 LYS 793 HE2 LYS 793 -14.598 -0.582 4.153
94 HE3 LYS 793 HE1 LYS 793 -16.031 -0.111 3.243
95 HZ1 LYS 793 HZ1 LYS 793 -15.091 -2.912 3.435
96 HZ2 LYS 793 HZ2 LYS 793 -16.593 -2.351 2.869
97 HZ3 LYS 793 HZ3 LYS 793 -16.208 -2.237 4.518
98 H LYS 794 HN LYS 794 -12.932 2.402 -0.142
99 HA LYS 794 HA LYS 794 -11.338 4.610 0.542
100 HB2 LYS 794 HB2 LYS 794 -9.427 3.267 1.523
101 HB3 LYS 794 HB1 LYS 794 -10.792 3.578 2.586
102 HG2 LYS 794 HG2 LYS 794 -11.626 1.325 2.189
103 HG3 LYS 794 HG1 LYS 794 -10.257 1.006 1.113
104 HD2 LYS 794 HD2 LYS 794 -8.693 1.351 2.923
105 HD3 LYS 794 HD1 LYS 794 -9.997 1.835 4.003
106 HE2 LYS 794 HE2 LYS 794 -10.918 -0.394 3.952
107 HE3 LYS 794 HE1 LYS 794 -9.711 -0.897 2.765
108 HZ1 LYS 794 HZ1 LYS 794 -9.115 -1.576 5.027
109 HZ2 LYS 794 HZ2 LYS 794 -9.102 0.047 5.516
110 HZ3 LYS 794 HZ3 LYS 794 -7.978 -0.500 4.373
111 H ALA 795 HN ALA 795 -9.395 4.664 -0.651
112 HA ALA 795 HA ALA 795 -8.627 2.606 -2.455
113 HB1 ALA 795 HB1 ALA 795 -10.080 4.974 -3.653
114 HB2 ALA 795 HB2 ALA 795 -10.691 3.318 -3.594
115 HB3 ALA 795 HB3 ALA 795 -9.255 3.696 -4.548
116 H ASN 796 HN ASN 796 -7.518 4.322 -0.478
117 HA ASN 796 HA ASN 796 -6.075 6.436 -1.801
118 HB2 ASN 796 HB2 ASN 796 -4.931 6.603 0.495
119 HB3 ASN 796 HB1 ASN 796 -6.636 7.004 0.405
120 HD21 ASN 796 HD21 ASN 796 -5.475 3.689 0.376
121 HD22 ASN 796 HD22 ASN 796 -6.052 3.274 1.954
122 H LEU 797 HN LEU 797 -4.992 5.091 -3.408
123 HA LEU 797 HA LEU 797 -3.049 3.213 -2.340
124 HB2 LEU 797 HB2 LEU 797 -3.749 3.766 -5.209
125 HB3 LEU 797 HB1 LEU 797 -2.869 2.390 -4.585
126 HG LEU 797 HG LEU 797 -5.807 2.957 -4.143
127 HD11 LEU 797 HD11 LEU 797 -5.306 2.297 -6.435
128 HD12 LEU 797 HD12 LEU 797 -6.166 1.016 -5.582
129 HD13 LEU 797 HD13 LEU 797 -4.426 0.886 -5.848
130 HD21 LEU 797 HD21 LEU 797 -4.126 0.587 -3.324
131 HD22 LEU 797 HD22 LEU 797 -5.879 0.715 -3.162
132 HD23 LEU 797 HD23 LEU 797 -4.826 1.791 -2.243
133 H LEU 798 HN LEU 798 -0.931 3.443 -2.699
134 HA LEU 798 HA LEU 798 0.165 5.595 -4.336
135 HB2 LEU 798 HB2 LEU 798 1.409 6.614 -2.658
136 HB3 LEU 798 HB1 LEU 798 -0.140 6.370 -1.873
137 HG LEU 798 HG LEU 798 1.282 4.054 -1.302
138 HD11 LEU 798 HD11 LEU 798 3.263 5.277 -2.177
139 HD12 LEU 798 HD12 LEU 798 3.406 4.747 -0.499
140 HD13 LEU 798 HD13 LEU 798 3.059 6.438 -0.864
141 HD21 LEU 798 HD21 LEU 798 1.312 4.948 0.967
142 HD22 LEU 798 HD22 LEU 798 -0.242 5.215 0.180
143 HD23 LEU 798 HD23 LEU 798 0.904 6.546 0.341
144 H LYS 799 HN LYS 799 2.824 5.115 -4.113
145 HA LYS 799 HA LYS 799 2.926 2.256 -3.919
146 HB2 LYS 799 HB2 LYS 799 3.636 1.860 -6.203
147 HB3 LYS 799 HB1 LYS 799 2.140 2.790 -6.210
148 HG2 LYS 799 HG2 LYS 799 3.410 4.834 -6.624
149 HG3 LYS 799 HG1 LYS 799 4.908 3.909 -6.619
150 HD2 LYS 799 HD2 LYS 799 4.093 2.614 -8.543
151 HD3 LYS 799 HD1 LYS 799 2.617 3.584 -8.557
152 HE2 LYS 799 HE2 LYS 799 3.902 5.585 -9.015
153 HE3 LYS 799 HE1 LYS 799 5.406 4.675 -8.896
154 HZ1 LYS 799 HZ1 LYS 799 4.712 5.068 -11.196
155 HZ2 LYS 799 HZ2 LYS 799 3.294 4.180 -10.927
156 HZ3 LYS 799 HZ3 LYS 799 4.805 3.415 -10.833
157 H CYS 800 HN CYS 800 4.649 1.338 -3.527
158 HA CYS 800 HA CYS 800 6.821 2.078 -2.245
159 HB2 CYS 800 HB2 CYS 800 5.863 -0.149 -3.074
160 HB3 CYS 800 HB1 CYS 800 6.872 0.078 -4.491
161 H GLU 801 HN GLU 801 8.072 3.792 -2.661
162 HA GLU 801 HA GLU 801 9.132 4.738 -5.022
163 HB2 GLU 801 HB2 GLU 801 9.277 5.895 -2.888
164 HB3 GLU 801 HB1 GLU 801 10.341 4.651 -2.250
165 HG2 GLU 801 HG2 GLU 801 11.588 6.633 -2.797
166 HG3 GLU 801 HG1 GLU 801 12.059 5.312 -3.860
167 H TYR 802 HN TYR 802 9.705 1.639 -3.874
168 HA TYR 802 HA TYR 802 12.364 1.592 -5.108
169 HB2 TYR 802 HB2 TYR 802 12.369 0.671 -2.840
170 HB3 TYR 802 HB1 TYR 802 11.065 -0.437 -3.264
171 HD1 TYR 802 HD1 TYR 802 11.506 -2.404 -4.657
172 HD2 TYR 802 HD2 TYR 802 14.648 0.239 -3.533
173 HE1 TYR 802 HE1 TYR 802 13.162 -4.099 -5.307
174 HE2 TYR 802 HE2 TYR 802 16.305 -1.452 -4.179
175 HH TYR 802 HH TYR 802 16.477 -3.830 -4.490
176 H CYS 803 HN CYS 803 9.282 -0.195 -5.149
177 HA CYS 803 HA CYS 803 10.122 -1.295 -7.756
178 HB2 CYS 803 HB2 CYS 803 8.415 -3.121 -7.211
179 HB3 CYS 803 HB1 CYS 803 9.905 -3.124 -6.271
180 H GLY 804 HN GLY 804 7.507 0.412 -6.159
181 HA2 GLY 804 HA2 GLY 804 6.230 1.959 -7.395
182 HA3 GLY 804 HA1 GLY 804 6.654 1.094 -8.865
183 H LYS 805 HN LYS 805 5.587 -0.797 -6.214
184 HA LYS 805 HA LYS 805 3.228 -1.563 -7.691
185 HB2 LYS 805 HB2 LYS 805 4.078 -3.448 -6.743
186 HB3 LYS 805 HB1 LYS 805 4.700 -2.607 -5.330
187 HG2 LYS 805 HG2 LYS 805 2.428 -2.451 -4.445
188 HG3 LYS 805 HG1 LYS 805 1.818 -3.309 -5.861
189 HD2 LYS 805 HD2 LYS 805 3.794 -4.409 -3.863
190 HD3 LYS 805 HD1 LYS 805 2.070 -4.778 -3.901
191 HE2 LYS 805 HE2 LYS 805 2.370 -5.682 -6.193
192 HE3 LYS 805 HE1 LYS 805 4.106 -5.419 -6.027
193 HZ1 LYS 805 HZ1 LYS 805 3.579 -7.689 -5.500
194 HZ2 LYS 805 HZ2 LYS 805 2.426 -7.204 -4.357
195 HZ3 LYS 805 HZ3 LYS 805 4.069 -6.896 -4.087
196 H TYR 806 HN TYR 806 1.192 -1.093 -7.216
197 HA TYR 806 HA TYR 806 0.716 1.131 -5.359
198 HB2 TYR 806 HB2 TYR 806 -0.815 -0.104 -7.615
199 HB3 TYR 806 HB1 TYR 806 -1.705 0.743 -6.361
200 HD1 TYR 806 HD2 TYR 806 -0.876 3.161 -5.827
201 HD2 TYR 806 HD1 TYR 806 -0.009 1.072 -9.432
202 HE1 TYR 806 HE2 TYR 806 -0.458 5.303 -6.961
203 HE2 TYR 806 HE1 TYR 806 0.410 3.204 -10.572
204 HH TYR 806 HH TYR 806 -0.073 5.499 -10.397
205 H ALA 807 HN ALA 807 -0.427 1.043 -3.602
206 HA ALA 807 HA ALA 807 -1.944 -1.304 -2.864
207 HB1 ALA 807 HB1 ALA 807 0.316 -2.049 -2.375
208 HB2 ALA 807 HB2 ALA 807 -0.583 -1.800 -0.876
209 HB3 ALA 807 HB3 ALA 807 0.601 -0.606 -1.405
210 HA PRO 808 HA PRO 808 -4.105 1.613 -0.303
211 HB2 PRO 808 HB2 PRO 808 -4.701 0.039 1.839
212 HB3 PRO 808 HB1 PRO 808 -5.558 -0.049 0.297
213 HG2 PRO 808 HG2 PRO 808 -3.385 -1.803 1.366
214 HG3 PRO 808 HG1 PRO 808 -4.859 -2.251 0.485
215 HD2 PRO 808 HD2 PRO 808 -2.448 -2.122 -0.710
216 HD3 PRO 808 HD1 PRO 808 -3.947 -1.707 -1.562
217 H ALA 809 HN ALA 809 -3.266 3.164 0.877
218 HA ALA 809 HA ALA 809 -0.790 3.397 1.857
219 HB1 ALA 809 HB1 ALA 809 -2.389 5.221 1.616
220 HB2 ALA 809 HB2 ALA 809 -1.537 5.288 3.161
221 HB3 ALA 809 HB3 ALA 809 -3.201 4.704 3.092
222 H GLU 810 HN GLU 810 -3.426 1.860 3.582
223 HA GLU 810 HA GLU 810 -2.385 1.925 6.238
224 HB2 GLU 810 HB2 GLU 810 -3.907 0.037 6.668
225 HB3 GLU 810 HB1 GLU 810 -4.698 1.415 5.918
226 HG2 GLU 810 HG2 GLU 810 -3.706 -0.628 4.060
227 HG3 GLU 810 HG1 GLU 810 -5.005 -1.142 5.136
228 H GLN 811 HN GLN 811 -1.609 0.009 3.472
229 HA GLN 811 HA GLN 811 -0.426 -2.137 4.973
230 HB2 GLN 811 HB2 GLN 811 -1.354 -2.639 2.808
231 HB3 GLN 811 HB1 GLN 811 -0.344 -1.416 2.045
232 HG2 GLN 811 HG2 GLN 811 1.638 -2.784 2.873
233 HG3 GLN 811 HG1 GLN 811 0.466 -4.065 3.186
234 HE21 GLN 811 HE21 GLN 811 1.882 -2.027 0.738
235 HE22 GLN 811 HE22 GLN 811 1.556 -3.074 -0.599
236 H PHE 812 HN PHE 812 0.597 0.822 3.420
237 HA PHE 812 HA PHE 812 3.342 0.400 3.531
238 HB2 PHE 812 HB2 PHE 812 1.678 2.891 3.412
239 HB3 PHE 812 HB1 PHE 812 3.435 2.927 3.414
240 HD1 PHE 812 HD1 PHE 812 0.497 1.643 1.590
241 HD2 PHE 812 HD2 PHE 812 4.652 2.540 1.443
242 HE1 PHE 812 HE1 PHE 812 0.484 1.279 -0.845
243 HE2 PHE 812 HE2 PHE 812 4.649 2.180 -0.987
244 HZ PHE 812 HZ PHE 812 2.610 1.546 -2.135
245 H ARG 813 HN ARG 813 3.113 -0.563 5.816
246 HA ARG 813 HA ARG 813 3.197 1.232 8.066
247 HB2 ARG 813 HB2 ARG 813 4.263 -1.584 7.891
248 HB3 ARG 813 HB1 ARG 813 3.785 -0.701 9.337
249 HG2 ARG 813 HG2 ARG 813 1.455 -0.617 8.344
250 HG3 ARG 813 HG1 ARG 813 2.027 -1.797 7.164
251 HD2 ARG 813 HD2 ARG 813 1.872 -2.114 10.155
252 HD3 ARG 813 HD1 ARG 813 0.937 -2.971 8.931
253 HE ARG 813 HE ARG 813 3.320 -3.774 8.228
254 HH11 ARG 813 HH11 ARG 813 2.113 -3.306 11.478
255 HH12 ARG 813 HH12 ARG 813 3.142 -4.519 12.178
256 HH21 ARG 813 HH21 ARG 813 4.677 -5.367 9.147
257 HH22 ARG 813 HH22 ARG 813 4.591 -5.692 10.848
258 H GLY 814 HN GLY 814 5.288 0.769 5.550
259 HA2 GLY 814 HA2 GLY 814 7.678 1.376 7.116
260 HA3 GLY 814 HA1 GLY 814 7.614 1.086 5.381
261 H SER 815 HN SER 815 5.750 3.294 7.423
262 HA SER 815 HA SER 815 5.399 5.552 7.380
263 HB2 SER 815 HB2 SER 815 8.219 5.744 6.300
264 HB3 SER 815 HB1 SER 815 7.344 6.954 7.239
265 HG SER 815 HG SER 815 8.855 4.877 8.088
266 H LYS 816 HN LYS 816 4.788 3.990 4.972
267 HA LYS 816 HA LYS 816 3.733 4.420 3.024
268 HB2 LYS 816 HB2 LYS 816 3.557 7.196 4.204
269 HB3 LYS 816 HB1 LYS 816 2.649 6.644 2.801
270 HG2 LYS 816 HG2 LYS 816 1.660 4.853 4.218
271 HG3 LYS 816 HG1 LYS 816 2.456 5.578 5.612
272 HD2 LYS 816 HD2 LYS 816 1.199 7.638 5.273
273 HD3 LYS 816 HD1 LYS 816 0.438 6.944 3.836
274 HE2 LYS 816 HE2 LYS 816 -0.491 5.141 5.262
275 HE3 LYS 816 HE1 LYS 816 0.176 5.957 6.675
276 HZ1 LYS 816 HZ1 LYS 816 -2.184 6.446 6.301
277 HZ2 LYS 816 HZ2 LYS 816 -1.803 7.154 4.808
278 HZ3 LYS 816 HZ3 LYS 816 -1.227 7.845 6.244
279 H ARG 817 HN ARG 817 6.324 4.210 2.669
280 HA ARG 817 HA ARG 817 6.857 5.991 0.410
281 HB2 ARG 817 HB2 ARG 817 8.823 5.279 2.603
282 HB3 ARG 817 HB1 ARG 817 9.274 5.998 1.065
283 HG2 ARG 817 HG2 ARG 817 7.485 7.261 3.131
284 HG3 ARG 817 HG1 ARG 817 9.185 7.647 2.858
285 HD2 ARG 817 HD2 ARG 817 8.601 8.282 0.527
286 HD3 ARG 817 HD1 ARG 817 6.903 8.032 0.930
287 HE ARG 817 HE ARG 817 7.860 9.792 2.818
288 HH11 ARG 817 HH11 ARG 817 7.439 9.718 -0.650
289 HH12 ARG 817 HH12 ARG 817 7.420 11.448 -0.820
290 HH21 ARG 817 HH21 ARG 817 7.793 12.061 2.625
291 HH22 ARG 817 HH22 ARG 817 7.609 12.789 1.051
292 H PHE 818 HN PHE 818 7.428 3.033 2.213
293 HA PHE 818 HA PHE 818 7.813 1.611 -0.323
294 HB2 PHE 818 HB2 PHE 818 9.308 1.133 2.265
295 HB3 PHE 818 HB1 PHE 818 9.395 0.097 0.845
296 HD1 PHE 818 HD2 PHE 818 10.440 0.942 -1.233
297 HD2 PHE 818 HD1 PHE 818 10.527 3.164 2.394
298 HE1 PHE 818 HE2 PHE 818 12.247 2.349 -2.137
299 HE2 PHE 818 HE1 PHE 818 12.328 4.575 1.494
300 HZ PHE 818 HZ PHE 818 13.191 4.165 -0.773
301 H CYS 819 HN CYS 819 6.726 -0.401 -0.407
302 HA CYS 819 HA CYS 819 4.438 -0.411 1.322
303 HB2 CYS 819 HB2 CYS 819 3.908 -2.461 -0.169
304 HB3 CYS 819 HB1 CYS 819 3.815 -0.844 -0.836
305 H SER 820 HN SER 820 5.274 -1.169 3.447
306 HA SER 820 HA SER 820 4.622 -2.882 4.748
307 HB2 SER 820 HB2 SER 820 3.790 -4.223 2.867
308 HB3 SER 820 HB1 SER 820 5.435 -4.756 2.512
309 HG SER 820 HG SER 820 4.900 -6.337 3.801
310 H MET 821 HN MET 821 6.403 -5.341 4.837
311 HA MET 821 HA MET 821 8.572 -4.042 6.263
312 HB2 MET 821 HB2 MET 821 7.669 -6.899 5.995
313 HB3 MET 821 HB1 MET 821 9.142 -6.459 6.846
314 HG2 MET 821 HG2 MET 821 6.681 -5.028 7.624
315 HG3 MET 821 HG1 MET 821 6.778 -6.734 8.049
316 HE1 MET 821 HE1 MET 821 9.780 -3.517 9.496
317 HE2 MET 821 HE2 MET 821 8.391 -3.180 8.462
318 HE3 MET 821 HE3 MET 821 9.760 -4.095 7.830
319 H THR 822 HN THR 822 8.475 -6.776 4.015
320 HA THR 822 HA THR 822 11.083 -7.099 3.246
321 HB THR 822 HB THR 822 8.957 -7.124 1.152
322 HG1 THR 822 HG1 THR 822 8.322 -9.215 2.142
323 HG21 THR 822 HG21 THR 822 11.225 -7.928 0.634
324 HG22 THR 822 HG22 THR 822 10.037 -9.229 0.551
325 HG23 THR 822 HG23 THR 822 11.103 -9.097 1.950
326 H CYS 823 HN CYS 823 8.877 -4.687 1.862
327 HA CYS 823 HA CYS 823 10.839 -3.822 -0.046
328 HB2 CYS 823 HB2 CYS 823 8.172 -2.747 0.764
329 HB3 CYS 823 HB1 CYS 823 9.195 -1.991 -0.462
330 H ALA 824 HN ALA 824 9.631 -2.514 3.039
331 HA ALA 824 HA ALA 824 11.093 -0.120 2.959
332 HB1 ALA 824 HB1 ALA 824 10.777 -0.060 5.387
333 HB2 ALA 824 HB2 ALA 824 10.185 -1.723 5.338
334 HB3 ALA 824 HB3 ALA 824 9.293 -0.441 4.515
335 H LYS 825 HN LYS 825 11.936 -3.318 4.321
336 HA LYS 825 HA LYS 825 14.417 -2.518 5.343
337 HB2 LYS 825 HB2 LYS 825 14.915 -4.880 5.583
338 HB3 LYS 825 HB1 LYS 825 13.252 -4.560 6.040
339 HG2 LYS 825 HG2 LYS 825 12.959 -6.465 4.843
340 HG3 LYS 825 HG1 LYS 825 12.780 -5.277 3.552
341 HD2 LYS 825 HD2 LYS 825 14.213 -7.032 2.770
342 HD3 LYS 825 HD1 LYS 825 15.195 -5.588 3.020
343 HE2 LYS 825 HE2 LYS 825 16.412 -7.448 3.884
344 HE3 LYS 825 HE1 LYS 825 15.831 -6.508 5.257
345 HZ1 LYS 825 HZ1 LYS 825 14.640 -9.022 4.213
346 HZ2 LYS 825 HZ2 LYS 825 13.991 -8.102 5.480
347 HZ3 LYS 825 HZ3 LYS 825 15.504 -8.844 5.661
348 H ARG 826 HN ARG 826 13.311 -3.513 2.240
349 HA ARG 826 HA ARG 826 15.706 -4.329 1.028
350 HB2 ARG 826 HB2 ARG 826 13.296 -4.779 0.367
351 HB3 ARG 826 HB1 ARG 826 13.311 -3.193 -0.387
352 HG2 ARG 826 HG2 ARG 826 14.971 -3.862 -1.950
353 HG3 ARG 826 HG1 ARG 826 15.256 -5.378 -1.088
354 HD2 ARG 826 HD2 ARG 826 12.983 -6.103 -1.597
355 HD3 ARG 826 HD1 ARG 826 12.676 -4.584 -2.435
356 HE ARG 826 HE ARG 826 14.896 -5.745 -3.633
357 HH11 ARG 826 HH11 ARG 826 11.532 -6.562 -3.126
358 HH12 ARG 826 HH12 ARG 826 11.370 -7.395 -4.635
359 HH21 ARG 826 HH21 ARG 826 14.696 -6.883 -5.612
360 HH22 ARG 826 HH22 ARG 826 13.162 -7.583 -6.051
361 H TYR 827 HN TYR 827 14.248 -1.223 1.543
362 HA TYR 827 HA TYR 827 15.319 0.358 -0.391
363 HB2 TYR 827 HB2 TYR 827 13.795 1.402 0.936
364 HB3 TYR 827 HB1 TYR 827 14.515 0.811 2.433
365 HD1 TYR 827 HD1 TYR 827 15.135 3.174 -0.381
366 HD2 TYR 827 HD2 TYR 827 15.858 2.248 3.712
367 HE1 TYR 827 HE1 TYR 827 16.244 5.348 -0.095
368 HE2 TYR 827 HE2 TYR 827 16.968 4.423 4.008
369 HH TYR 827 HH TYR 827 16.697 6.938 1.811
370 H ASN 828 HN ASN 828 16.885 -0.995 2.406
371 HA ASN 828 HA ASN 828 19.043 0.885 2.514
372 HB2 ASN 828 HB2 ASN 828 18.756 -1.797 3.880
373 HB3 ASN 828 HB1 ASN 828 19.944 -0.560 4.278
374 HD21 ASN 828 HD21 ASN 828 16.629 -1.527 4.477
375 HD22 ASN 828 HD22 ASN 828 16.123 -0.303 5.590
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -15.349 0.996 -16.594
2 H2 GLY 1 HT2 GLY 1 -14.715 2.401 -17.302
3 H3 GLY 1 HT3 GLY 1 -15.951 2.518 -16.149
4 HA2 GLY 1 HA1 GLY 1 -13.194 1.553 -15.652
5 HA3 GLY 1 HA2 GLY 1 -13.836 3.119 -15.179
6 H THR 2 HN THR 2 -13.208 2.489 -13.010
7 HA THR 2 HA THR 2 -14.644 0.270 -11.815
8 HB THR 2 HB THR 2 -12.702 2.213 -10.547
9 HG1 THR 2 HG1 THR 2 -12.389 -0.073 -12.097
10 HG21 THR 2 HG21 THR 2 -12.512 0.513 -8.794
11 HG22 THR 2 HG22 THR 2 -13.739 -0.462 -9.602
12 HG23 THR 2 HG23 THR 2 -14.165 1.109 -8.924
13 H ARG 3 HN ARG 3 -16.508 0.455 -10.783
14 HA ARG 3 HA ARG 3 -17.319 3.124 -9.826
15 HB2 ARG 3 HB2 ARG 3 -18.917 1.019 -11.251
16 HB3 ARG 3 HB1 ARG 3 -19.706 2.191 -10.205
17 HG2 ARG 3 HG2 ARG 3 -18.763 4.008 -11.566
18 HG3 ARG 3 HG1 ARG 3 -18.037 2.803 -12.631
19 HD2 ARG 3 HD2 ARG 3 -20.154 2.008 -13.328
20 HD3 ARG 3 HD1 ARG 3 -20.985 2.907 -12.059
21 HE ARG 3 HE ARG 3 -19.645 4.766 -13.646
22 HH11 ARG 3 HH11 ARG 3 -22.178 2.381 -14.065
23 HH12 ARG 3 HH12 ARG 3 -23.065 3.340 -15.210
24 HH21 ARG 3 HH21 ARG 3 -20.784 6.004 -15.174
25 HH22 ARG 3 HH22 ARG 3 -22.245 5.379 -15.882
26 H GLY 783 HN GLY 783 -16.560 2.727 -7.753
27 HA2 GLY 783 HA2 GLY 783 -17.520 0.469 -6.232
28 HA3 GLY 783 HA1 GLY 783 -16.603 1.839 -5.610
29 H VAL 784 HN VAL 784 -19.801 0.775 -6.622
30 HA VAL 784 HA VAL 784 -21.031 3.183 -5.555
31 HB VAL 784 HB VAL 784 -23.181 2.145 -6.361
32 HG11 VAL 784 HG11 VAL 784 -20.963 2.489 -8.375
33 HG12 VAL 784 HG12 VAL 784 -21.978 3.765 -7.707
34 HG13 VAL 784 HG13 VAL 784 -22.687 2.525 -8.738
35 HG21 VAL 784 HG21 VAL 784 -21.382 0.123 -7.698
36 HG22 VAL 784 HG22 VAL 784 -23.142 0.218 -7.776
37 HG23 VAL 784 HG23 VAL 784 -22.348 -0.216 -6.262
38 H ASP 785 HN ASP 785 -19.800 1.869 -3.558
39 HA ASP 785 HA ASP 785 -20.052 1.012 -1.471
40 HB2 ASP 785 HB2 ASP 785 -22.811 2.167 -1.907
41 HB3 ASP 785 HB1 ASP 785 -22.258 1.542 -0.357
42 H SER 786 HN SER 786 -20.020 -0.955 -3.165
43 HA SER 786 HA SER 786 -22.177 -2.769 -2.326
44 HB2 SER 786 HB2 SER 786 -20.463 -3.008 -4.806
45 HB3 SER 786 HB1 SER 786 -21.866 -3.991 -4.383
46 HG SER 786 HG SER 786 -22.628 -1.456 -4.319
47 HA PRO 787 HA PRO 787 -19.442 -5.076 0.226
48 HB2 PRO 787 HB2 PRO 787 -19.989 -7.567 -1.136
49 HB3 PRO 787 HB1 PRO 787 -20.529 -7.034 0.455
50 HG2 PRO 787 HG2 PRO 787 -21.944 -6.974 -2.114
51 HG3 PRO 787 HG1 PRO 787 -22.594 -6.880 -0.470
52 HD2 PRO 787 HD2 PRO 787 -22.582 -4.762 -2.150
53 HD3 PRO 787 HD1 PRO 787 -22.396 -4.580 -0.392
54 H SER 788 HN SER 788 -19.365 -5.994 -3.220
55 HA SER 788 HA SER 788 -16.633 -6.868 -3.084
56 HB2 SER 788 HB2 SER 788 -18.410 -6.313 -5.466
57 HB3 SER 788 HB1 SER 788 -16.838 -7.114 -5.535
58 HG SER 788 HG SER 788 -17.657 -8.876 -4.615
59 H ALA 789 HN ALA 789 -18.303 -4.002 -4.311
60 HA ALA 789 HA ALA 789 -15.864 -2.974 -5.477
61 HB1 ALA 789 HB1 ALA 789 -18.636 -1.794 -5.410
62 HB2 ALA 789 HB2 ALA 789 -17.955 -2.782 -6.702
63 HB3 ALA 789 HB3 ALA 789 -17.275 -1.190 -6.355
64 H GLU 790 HN GLU 790 -16.840 -2.976 -2.379
65 HA GLU 790 HA GLU 790 -16.408 -0.205 -1.751
66 HB2 GLU 790 HB2 GLU 790 -16.587 -2.663 -0.029
67 HB3 GLU 790 HB1 GLU 790 -16.208 -1.073 0.620
68 HG2 GLU 790 HG2 GLU 790 -18.337 -0.218 -0.250
69 HG3 GLU 790 HG1 GLU 790 -18.724 -1.828 -0.855
70 H LEU 791 HN LEU 791 -14.399 -2.992 -2.176
71 HA LEU 791 HA LEU 791 -12.173 -1.820 -0.853
72 HB2 LEU 791 HB2 LEU 791 -10.825 -3.601 -1.917
73 HB3 LEU 791 HB1 LEU 791 -12.208 -4.217 -1.039
74 HG LEU 791 HG LEU 791 -13.345 -4.214 -3.406
75 HD11 LEU 791 HD11 LEU 791 -10.420 -4.366 -4.119
76 HD12 LEU 791 HD12 LEU 791 -11.535 -3.077 -4.576
77 HD13 LEU 791 HD13 LEU 791 -11.768 -4.709 -5.205
78 HD21 LEU 791 HD21 LEU 791 -11.268 -6.231 -2.559
79 HD22 LEU 791 HD22 LEU 791 -12.547 -6.511 -3.739
80 HD23 LEU 791 HD23 LEU 791 -12.957 -6.191 -2.055
81 H ASP 792 HN ASP 792 -13.751 -1.285 -3.672
82 HA ASP 792 HA ASP 792 -11.506 0.079 -4.963
83 HB2 ASP 792 HB2 ASP 792 -14.336 -0.342 -5.952
84 HB3 ASP 792 HB1 ASP 792 -13.034 0.397 -6.874
85 H LYS 793 HN LYS 793 -13.901 0.582 -2.799
86 HA LYS 793 HA LYS 793 -14.791 3.192 -3.504
87 HB2 LYS 793 HB2 LYS 793 -16.169 1.729 -2.121
88 HB3 LYS 793 HB1 LYS 793 -14.921 1.691 -0.884
89 HG2 LYS 793 HG2 LYS 793 -15.240 4.146 -0.592
90 HG3 LYS 793 HG1 LYS 793 -16.610 4.042 -1.704
91 HD2 LYS 793 HD2 LYS 793 -17.730 2.481 -0.222
92 HD3 LYS 793 HD1 LYS 793 -16.345 2.485 0.871
93 HE2 LYS 793 HE2 LYS 793 -17.963 3.931 1.824
94 HE3 LYS 793 HE1 LYS 793 -16.709 4.961 1.139
95 HZ1 LYS 793 HZ1 LYS 793 -18.783 5.887 0.552
96 HZ2 LYS 793 HZ2 LYS 793 -19.398 4.396 0.025
97 HZ3 LYS 793 HZ3 LYS 793 -18.176 5.169 -0.863
98 H LYS 794 HN LYS 794 -12.281 1.843 -1.492
99 HA LYS 794 HA LYS 794 -11.490 4.328 -0.326
100 HB2 LYS 794 HB2 LYS 794 -10.012 1.693 -0.507
101 HB3 LYS 794 HB1 LYS 794 -9.541 3.053 0.501
102 HG2 LYS 794 HG2 LYS 794 -12.120 1.515 0.758
103 HG3 LYS 794 HG1 LYS 794 -10.685 1.276 1.755
104 HD2 LYS 794 HD2 LYS 794 -10.846 3.586 2.548
105 HD3 LYS 794 HD1 LYS 794 -12.277 3.830 1.544
106 HE2 LYS 794 HE2 LYS 794 -12.880 3.397 3.874
107 HE3 LYS 794 HE1 LYS 794 -13.474 2.125 2.807
108 HZ1 LYS 794 HZ1 LYS 794 -11.020 1.964 4.481
109 HZ2 LYS 794 HZ2 LYS 794 -11.624 0.736 3.472
110 HZ3 LYS 794 HZ3 LYS 794 -12.502 1.223 4.833
111 H ALA 795 HN ALA 795 -9.592 2.140 -2.399
112 HA ALA 795 HA ALA 795 -7.859 2.543 -3.825
113 HB1 ALA 795 HB1 ALA 795 -9.832 2.914 -5.232
114 HB2 ALA 795 HB2 ALA 795 -8.458 3.889 -5.750
115 HB3 ALA 795 HB3 ALA 795 -9.777 4.634 -4.846
116 H ASN 796 HN ASN 796 -7.620 4.007 -1.338
117 HA ASN 796 HA ASN 796 -6.375 6.524 -2.041
118 HB2 ASN 796 HB2 ASN 796 -5.698 6.553 0.381
119 HB3 ASN 796 HB1 ASN 796 -7.434 6.427 0.126
120 HD21 ASN 796 HD21 ASN 796 -8.511 4.600 0.772
121 HD22 ASN 796 HD22 ASN 796 -7.762 3.320 1.687
122 H LEU 797 HN LEU 797 -5.081 4.932 -3.682
123 HA LEU 797 HA LEU 797 -3.062 3.389 -2.291
124 HB2 LEU 797 HB2 LEU 797 -3.477 3.556 -5.256
125 HB3 LEU 797 HB1 LEU 797 -2.711 2.276 -4.342
126 HG LEU 797 HG LEU 797 -5.668 2.895 -4.375
127 HD11 LEU 797 HD11 LEU 797 -5.849 0.753 -5.551
128 HD12 LEU 797 HD12 LEU 797 -4.090 0.637 -5.594
129 HD13 LEU 797 HD13 LEU 797 -4.911 1.933 -6.461
130 HD21 LEU 797 HD21 LEU 797 -4.148 0.679 -3.014
131 HD22 LEU 797 HD22 LEU 797 -5.902 0.803 -3.124
132 HD23 LEU 797 HD23 LEU 797 -4.990 2.010 -2.220
133 H LEU 798 HN LEU 798 -0.928 3.658 -2.605
134 HA LEU 798 HA LEU 798 0.127 5.541 -4.528
135 HB2 LEU 798 HB2 LEU 798 1.394 6.866 -3.039
136 HB3 LEU 798 HB1 LEU 798 -0.232 6.878 -2.409
137 HG LEU 798 HG LEU 798 1.136 6.759 -0.535
138 HD11 LEU 798 HD11 LEU 798 -0.661 5.166 -0.356
139 HD12 LEU 798 HD12 LEU 798 0.775 4.569 0.477
140 HD13 LEU 798 HD13 LEU 798 0.339 3.919 -1.104
141 HD21 LEU 798 HD21 LEU 798 3.243 6.332 -1.506
142 HD22 LEU 798 HD22 LEU 798 2.751 4.723 -2.023
143 HD23 LEU 798 HD23 LEU 798 2.966 5.070 -0.306
144 H LYS 799 HN LYS 799 2.721 5.176 -4.443
145 HA LYS 799 HA LYS 799 2.753 2.303 -4.063
146 HB2 LYS 799 HB2 LYS 799 3.806 1.924 -6.262
147 HB3 LYS 799 HB1 LYS 799 2.299 2.808 -6.467
148 HG2 LYS 799 HG2 LYS 799 3.575 4.905 -6.617
149 HG3 LYS 799 HG1 LYS 799 5.068 3.985 -6.481
150 HD2 LYS 799 HD2 LYS 799 4.560 2.810 -8.545
151 HD3 LYS 799 HD1 LYS 799 3.021 3.670 -8.671
152 HE2 LYS 799 HE2 LYS 799 4.305 5.806 -8.739
153 HE3 LYS 799 HE1 LYS 799 5.790 4.856 -8.785
154 HZ1 LYS 799 HZ1 LYS 799 5.119 5.543 -10.990
155 HZ2 LYS 799 HZ2 LYS 799 3.618 4.783 -10.812
156 HZ3 LYS 799 HZ3 LYS 799 5.040 3.855 -10.859
157 H CYS 800 HN CYS 800 4.371 1.295 -3.442
158 HA CYS 800 HA CYS 800 6.483 2.147 -2.033
159 HB2 CYS 800 HB2 CYS 800 5.768 -0.123 -2.104
160 HB3 CYS 800 HB1 CYS 800 6.067 -0.230 -3.829
161 H GLU 801 HN GLU 801 7.900 3.753 -2.785
162 HA GLU 801 HA GLU 801 8.636 4.043 -5.514
163 HB2 GLU 801 HB2 GLU 801 9.726 5.290 -3.004
164 HB3 GLU 801 HB1 GLU 801 10.292 5.715 -4.616
165 HG2 GLU 801 HG2 GLU 801 7.904 6.271 -5.183
166 HG3 GLU 801 HG1 GLU 801 7.547 6.102 -3.466
167 H TYR 802 HN TYR 802 9.447 1.457 -4.039
168 HA TYR 802 HA TYR 802 12.236 1.509 -4.974
169 HB2 TYR 802 HB2 TYR 802 11.776 0.675 -2.617
170 HB3 TYR 802 HB1 TYR 802 10.939 -0.692 -3.345
171 HD1 TYR 802 HD2 TYR 802 14.225 0.927 -2.894
172 HD2 TYR 802 HD1 TYR 802 12.150 -2.490 -4.355
173 HE1 TYR 802 HE2 TYR 802 16.358 -0.279 -3.092
174 HE2 TYR 802 HE1 TYR 802 14.280 -3.705 -4.559
175 HH TYR 802 HH TYR 802 17.168 -2.584 -3.143
176 H CYS 803 HN CYS 803 9.176 -0.233 -5.208
177 HA CYS 803 HA CYS 803 10.099 -1.453 -7.736
178 HB2 CYS 803 HB2 CYS 803 8.274 -3.162 -7.231
179 HB3 CYS 803 HB1 CYS 803 9.692 -3.211 -6.184
180 H GLY 804 HN GLY 804 7.439 0.289 -6.222
181 HA2 GLY 804 HA2 GLY 804 6.221 1.878 -7.498
182 HA3 GLY 804 HA1 GLY 804 6.567 0.941 -8.942
183 H LYS 805 HN LYS 805 5.436 -0.720 -6.099
184 HA LYS 805 HA LYS 805 3.108 -1.567 -7.593
185 HB2 LYS 805 HB2 LYS 805 4.202 -2.360 -4.896
186 HB3 LYS 805 HB1 LYS 805 2.701 -3.000 -5.546
187 HG2 LYS 805 HG2 LYS 805 3.974 -3.849 -7.499
188 HG3 LYS 805 HG1 LYS 805 5.460 -3.318 -6.710
189 HD2 LYS 805 HD2 LYS 805 5.048 -5.704 -6.333
190 HD3 LYS 805 HD1 LYS 805 4.995 -4.796 -4.823
191 HE2 LYS 805 HE2 LYS 805 3.189 -6.446 -4.940
192 HE3 LYS 805 HE1 LYS 805 2.559 -4.800 -4.881
193 HZ1 LYS 805 HZ1 LYS 805 2.151 -4.868 -7.233
194 HZ2 LYS 805 HZ2 LYS 805 1.416 -6.216 -6.511
195 HZ3 LYS 805 HZ3 LYS 805 2.871 -6.399 -7.368
196 H TYR 806 HN TYR 806 1.073 -0.870 -7.292
197 HA TYR 806 HA TYR 806 0.635 1.329 -5.403
198 HB2 TYR 806 HB2 TYR 806 -1.143 0.185 -7.567
199 HB3 TYR 806 HB1 TYR 806 -1.557 1.549 -6.544
200 HD1 TYR 806 HD2 TYR 806 -0.393 3.704 -6.818
201 HD2 TYR 806 HD1 TYR 806 0.343 0.428 -9.426
202 HE1 TYR 806 HE2 TYR 806 0.669 5.234 -8.423
203 HE2 TYR 806 HE1 TYR 806 1.411 1.945 -11.040
204 HH TYR 806 HH TYR 806 2.384 5.056 -10.295
205 H ALA 807 HN ALA 807 -0.357 1.121 -3.588
206 HA ALA 807 HA ALA 807 -2.130 -1.111 -3.034
207 HB1 ALA 807 HB1 ALA 807 -0.781 -1.918 -1.143
208 HB2 ALA 807 HB2 ALA 807 0.490 -0.769 -1.562
209 HB3 ALA 807 HB3 ALA 807 0.089 -2.083 -2.669
210 HA PRO 808 HA PRO 808 -3.959 1.829 -0.344
211 HB2 PRO 808 HB2 PRO 808 -4.715 0.357 1.832
212 HB3 PRO 808 HB1 PRO 808 -5.562 0.320 0.283
213 HG2 PRO 808 HG2 PRO 808 -3.623 -1.624 1.432
214 HG3 PRO 808 HG1 PRO 808 -5.063 -1.921 0.445
215 HD2 PRO 808 HD2 PRO 808 -2.508 -1.986 -0.525
216 HD3 PRO 808 HD1 PRO 808 -3.926 -1.603 -1.516
217 H ALA 809 HN ALA 809 -3.086 3.338 0.808
218 HA ALA 809 HA ALA 809 -0.635 3.467 1.880
219 HB1 ALA 809 HB1 ALA 809 -1.363 5.402 3.169
220 HB2 ALA 809 HB2 ALA 809 -3.044 4.912 2.963
221 HB3 ALA 809 HB3 ALA 809 -2.085 5.388 1.559
222 H GLU 810 HN GLU 810 -3.339 1.972 3.447
223 HA GLU 810 HA GLU 810 -2.526 2.039 6.145
224 HB2 GLU 810 HB2 GLU 810 -4.035 0.123 6.442
225 HB3 GLU 810 HB1 GLU 810 -4.783 1.403 5.496
226 HG2 GLU 810 HG2 GLU 810 -4.377 0.181 3.452
227 HG3 GLU 810 HG1 GLU 810 -3.516 -1.073 4.343
228 H GLN 811 HN GLN 811 -1.413 0.161 3.464
229 HA GLN 811 HA GLN 811 -0.310 -1.939 5.093
230 HB2 GLN 811 HB2 GLN 811 -1.135 -2.591 2.947
231 HB3 GLN 811 HB1 GLN 811 -0.223 -1.324 2.142
232 HG2 GLN 811 HG2 GLN 811 1.864 -2.502 2.827
233 HG3 GLN 811 HG1 GLN 811 0.850 -3.825 3.406
234 HE21 GLN 811 HE21 GLN 811 1.784 -1.973 0.594
235 HE22 GLN 811 HE22 GLN 811 1.416 -3.195 -0.571
236 H PHE 812 HN PHE 812 0.739 0.959 3.467
237 HA PHE 812 HA PHE 812 3.484 0.688 3.762
238 HB2 PHE 812 HB2 PHE 812 1.712 3.116 3.554
239 HB3 PHE 812 HB1 PHE 812 3.473 3.195 3.529
240 HD1 PHE 812 HD1 PHE 812 0.709 1.318 1.846
241 HD2 PHE 812 HD2 PHE 812 4.502 3.205 1.484
242 HE1 PHE 812 HE1 PHE 812 0.720 0.828 -0.563
243 HE2 PHE 812 HE2 PHE 812 4.519 2.719 -0.925
244 HZ PHE 812 HZ PHE 812 2.628 1.527 -1.953
245 H ARG 813 HN ARG 813 3.059 -0.284 5.996
246 HA ARG 813 HA ARG 813 2.906 1.474 8.281
247 HB2 ARG 813 HB2 ARG 813 3.661 -1.433 7.977
248 HB3 ARG 813 HB1 ARG 813 3.375 -0.603 9.508
249 HG2 ARG 813 HG2 ARG 813 1.100 -0.272 9.027
250 HG3 ARG 813 HG1 ARG 813 1.319 -0.680 7.328
251 HD2 ARG 813 HD2 ARG 813 1.877 -3.004 8.036
252 HD3 ARG 813 HD1 ARG 813 1.445 -2.548 9.688
253 HE ARG 813 HE ARG 813 -0.763 -1.839 8.447
254 HH11 ARG 813 HH11 ARG 813 1.125 -4.756 8.055
255 HH12 ARG 813 HH12 ARG 813 -0.210 -5.694 7.471
256 HH21 ARG 813 HH21 ARG 813 -2.521 -3.072 7.653
257 HH22 ARG 813 HH22 ARG 813 -2.276 -4.738 7.213
258 H GLY 814 HN GLY 814 4.491 2.215 9.532
259 HA2 GLY 814 HA2 GLY 814 6.755 2.595 10.143
260 HA3 GLY 814 HA1 GLY 814 7.261 1.786 8.660
261 H SER 815 HN SER 815 6.446 2.901 6.614
262 HA SER 815 HA SER 815 6.142 5.766 6.880
263 HB2 SER 815 HB2 SER 815 8.495 4.521 5.445
264 HB3 SER 815 HB1 SER 815 7.995 6.195 5.218
265 HG SER 815 HG SER 815 9.656 5.404 6.980
266 H LYS 816 HN LYS 816 4.840 6.570 5.259
267 HA LYS 816 HA LYS 816 3.804 4.788 3.253
268 HB2 LYS 816 HB2 LYS 816 3.342 7.654 3.977
269 HB3 LYS 816 HB1 LYS 816 2.762 7.050 2.435
270 HG2 LYS 816 HG2 LYS 816 0.993 6.972 4.075
271 HG3 LYS 816 HG1 LYS 816 1.454 5.335 3.613
272 HD2 LYS 816 HD2 LYS 816 2.859 5.212 5.657
273 HD3 LYS 816 HD1 LYS 816 2.235 6.792 6.133
274 HE2 LYS 816 HE2 LYS 816 0.537 4.352 5.630
275 HE3 LYS 816 HE1 LYS 816 1.064 4.899 7.222
276 HZ1 LYS 816 HZ1 LYS 816 -0.163 6.918 6.948
277 HZ2 LYS 816 HZ2 LYS 816 -1.207 5.613 6.639
278 HZ3 LYS 816 HZ3 LYS 816 -0.579 6.522 5.352
279 H ARG 817 HN ARG 817 6.036 4.372 2.475
280 HA ARG 817 HA ARG 817 6.781 6.067 0.197
281 HB2 ARG 817 HB2 ARG 817 8.665 5.250 2.421
282 HB3 ARG 817 HB1 ARG 817 9.173 5.873 0.860
283 HG2 ARG 817 HG2 ARG 817 7.959 7.973 1.363
284 HG3 ARG 817 HG1 ARG 817 7.612 7.341 2.973
285 HD2 ARG 817 HD2 ARG 817 9.537 8.787 3.080
286 HD3 ARG 817 HD1 ARG 817 10.045 7.123 3.367
287 HE ARG 817 HE ARG 817 10.282 7.814 0.610
288 HH11 ARG 817 HH11 ARG 817 11.868 8.110 3.729
289 HH12 ARG 817 HH12 ARG 817 13.426 8.447 3.035
290 HH21 ARG 817 HH21 ARG 817 12.339 8.235 -0.290
291 HH22 ARG 817 HH22 ARG 817 13.699 8.510 0.766
292 H PHE 818 HN PHE 818 7.048 3.103 2.077
293 HA PHE 818 HA PHE 818 7.464 1.644 -0.428
294 HB2 PHE 818 HB2 PHE 818 8.886 1.096 2.193
295 HB3 PHE 818 HB1 PHE 818 9.018 0.131 0.726
296 HD1 PHE 818 HD2 PHE 818 10.044 1.191 -1.327
297 HD2 PHE 818 HD1 PHE 818 10.240 2.974 2.534
298 HE1 PHE 818 HE2 PHE 818 11.909 2.607 -2.078
299 HE2 PHE 818 HE1 PHE 818 12.103 4.397 1.787
300 HZ PHE 818 HZ PHE 818 12.936 4.216 -0.522
301 H CYS 819 HN CYS 819 6.629 -0.570 -0.266
302 HA CYS 819 HA CYS 819 4.350 -0.821 1.457
303 HB2 CYS 819 HB2 CYS 819 4.476 -3.232 0.349
304 HB3 CYS 819 HB1 CYS 819 3.912 -1.854 -0.567
305 H SER 820 HN SER 820 5.019 -3.800 1.964
306 HA SER 820 HA SER 820 5.145 -3.050 4.717
307 HB2 SER 820 HB2 SER 820 4.922 -5.511 5.056
308 HB3 SER 820 HB1 SER 820 3.679 -4.787 4.032
309 HG SER 820 HG SER 820 4.323 -6.558 2.934
310 H MET 821 HN MET 821 6.796 -6.004 4.410
311 HA MET 821 HA MET 821 8.801 -4.681 6.046
312 HB2 MET 821 HB2 MET 821 8.212 -7.602 5.563
313 HB3 MET 821 HB1 MET 821 9.519 -7.033 6.593
314 HG2 MET 821 HG2 MET 821 6.795 -6.002 7.124
315 HG3 MET 821 HG1 MET 821 7.133 -7.680 7.540
316 HE1 MET 821 HE1 MET 821 9.542 -4.429 7.795
317 HE2 MET 821 HE2 MET 821 9.115 -3.966 9.443
318 HE3 MET 821 HE3 MET 821 7.889 -3.943 8.174
319 H THR 822 HN THR 822 8.990 -7.172 3.513
320 HA THR 822 HA THR 822 11.669 -7.196 2.990
321 HB THR 822 HB THR 822 9.698 -7.167 0.732
322 HG1 THR 822 HG1 THR 822 8.881 -9.047 1.396
323 HG21 THR 822 HG21 THR 822 12.141 -8.856 1.302
324 HG22 THR 822 HG22 THR 822 12.121 -7.431 0.265
325 HG23 THR 822 HG23 THR 822 11.182 -8.857 -0.181
326 H CYS 823 HN CYS 823 9.364 -4.915 1.492
327 HA CYS 823 HA CYS 823 11.410 -3.702 -0.051
328 HB2 CYS 823 HB2 CYS 823 8.545 -3.029 0.460
329 HB3 CYS 823 HB1 CYS 823 9.594 -1.951 -0.470
330 H ALA 824 HN ALA 824 9.673 -2.508 2.876
331 HA ALA 824 HA ALA 824 11.084 -0.091 2.979
332 HB1 ALA 824 HB1 ALA 824 10.376 0.010 5.329
333 HB2 ALA 824 HB2 ALA 824 9.868 -1.681 5.240
334 HB3 ALA 824 HB3 ALA 824 9.050 -0.457 4.264
335 H LYS 825 HN LYS 825 11.770 -3.259 4.484
336 HA LYS 825 HA LYS 825 14.120 -2.382 5.772
337 HB2 LYS 825 HB2 LYS 825 14.600 -4.661 6.242
338 HB3 LYS 825 HB1 LYS 825 12.864 -4.453 6.357
339 HG2 LYS 825 HG2 LYS 825 12.993 -6.446 5.259
340 HG3 LYS 825 HG1 LYS 825 12.886 -5.337 3.894
341 HD2 LYS 825 HD2 LYS 825 14.595 -7.010 3.486
342 HD3 LYS 825 HD1 LYS 825 15.338 -5.421 3.666
343 HE2 LYS 825 HE2 LYS 825 16.634 -7.078 4.856
344 HE3 LYS 825 HE1 LYS 825 15.886 -5.967 6.000
345 HZ1 LYS 825 HZ1 LYS 825 15.722 -8.277 6.719
346 HZ2 LYS 825 HZ2 LYS 825 14.865 -8.670 5.313
347 HZ3 LYS 825 HZ3 LYS 825 14.182 -7.616 6.452
348 H ARG 826 HN ARG 826 13.446 -3.375 2.518
349 HA ARG 826 HA ARG 826 16.008 -4.154 1.731
350 HB2 ARG 826 HB2 ARG 826 13.927 -4.584 0.448
351 HB3 ARG 826 HB1 ARG 826 13.875 -2.885 0.007
352 HG2 ARG 826 HG2 ARG 826 14.766 -4.186 -1.812
353 HG3 ARG 826 HG1 ARG 826 16.024 -3.137 -1.153
354 HD2 ARG 826 HD2 ARG 826 16.954 -5.311 -1.575
355 HD3 ARG 826 HD1 ARG 826 16.865 -5.053 0.165
356 HE ARG 826 HE ARG 826 14.561 -6.413 -0.856
357 HH11 ARG 826 HH11 ARG 826 17.884 -6.828 0.172
358 HH12 ARG 826 HH12 ARG 826 17.692 -8.511 0.572
359 HH21 ARG 826 HH21 ARG 826 14.307 -8.639 -0.358
360 HH22 ARG 826 HH22 ARG 826 15.652 -9.546 0.275
361 H TYR 827 HN TYR 827 14.507 -1.044 2.086
362 HA TYR 827 HA TYR 827 16.657 0.308 0.652
363 HB2 TYR 827 HB2 TYR 827 14.578 1.368 0.198
364 HB3 TYR 827 HB1 TYR 827 14.057 1.247 1.875
365 HD1 TYR 827 HD1 TYR 827 16.511 2.967 -0.321
366 HD2 TYR 827 HD2 TYR 827 14.310 3.084 3.313
367 HE1 TYR 827 HE1 TYR 827 17.251 5.280 0.033
368 HE2 TYR 827 HE2 TYR 827 15.041 5.405 3.684
369 HH TYR 827 HH TYR 827 16.622 7.244 1.223
370 H ASN 828 HN ASN 828 15.799 -0.612 3.802
371 HA ASN 828 HA ASN 828 16.848 -0.457 5.805
372 HB2 ASN 828 HB2 ASN 828 19.154 0.154 3.960
373 HB3 ASN 828 HB1 ASN 828 19.355 0.079 5.705
374 HD21 ASN 828 HD21 ASN 828 18.674 -1.735 2.815
375 HD22 ASN 828 HD22 ASN 828 18.917 -3.306 3.502
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -13.378 6.316 18.293
2 H2 GLY 1 HT2 GLY 1 -13.950 7.541 17.268
3 H3 GLY 1 HT3 GLY 1 -12.302 7.141 17.276
4 HA2 GLY 1 HA1 GLY 1 -14.500 5.354 16.402
5 HA3 GLY 1 HA2 GLY 1 -13.420 6.232 15.328
6 H THR 2 HN THR 2 -13.645 3.481 15.168
7 HA THR 2 HA THR 2 -11.065 2.627 16.296
8 HB THR 2 HB THR 2 -12.805 1.237 17.189
9 HG1 THR 2 HG1 THR 2 -10.776 0.280 16.266
10 HG21 THR 2 HG21 THR 2 -13.659 0.729 14.336
11 HG22 THR 2 HG22 THR 2 -14.564 1.614 15.566
12 HG23 THR 2 HG23 THR 2 -14.288 -0.117 15.751
13 H ARG 3 HN ARG 3 -10.063 3.737 14.541
14 HA ARG 3 HA ARG 3 -9.237 4.062 12.461
15 HB2 ARG 3 HB2 ARG 3 -8.294 1.815 12.959
16 HB3 ARG 3 HB1 ARG 3 -9.684 1.080 12.173
17 HG2 ARG 3 HG2 ARG 3 -8.960 1.622 10.079
18 HG3 ARG 3 HG1 ARG 3 -8.085 3.049 10.630
19 HD2 ARG 3 HD2 ARG 3 -6.595 1.242 9.867
20 HD3 ARG 3 HD1 ARG 3 -6.334 1.691 11.550
21 HE ARG 3 HE ARG 3 -8.047 -0.396 11.724
22 HH11 ARG 3 HH11 ARG 3 -5.023 0.072 10.014
23 HH12 ARG 3 HH12 ARG 3 -4.510 -1.577 10.232
24 HH21 ARG 3 HH21 ARG 3 -7.383 -2.588 11.967
25 HH22 ARG 3 HH22 ARG 3 -5.844 -3.085 11.317
26 H GLY 783 HN GLY 783 -11.663 4.925 12.632
27 HA2 GLY 783 HA2 GLY 783 -12.985 5.610 10.633
28 HA3 GLY 783 HA1 GLY 783 -13.136 3.889 10.291
29 H VAL 784 HN VAL 784 -15.311 5.703 10.674
30 HA VAL 784 HA VAL 784 -16.526 4.446 13.033
31 HB VAL 784 HB VAL 784 -16.070 6.695 13.712
32 HG11 VAL 784 HG11 VAL 784 -16.842 8.659 12.526
33 HG12 VAL 784 HG12 VAL 784 -17.547 7.651 11.264
34 HG13 VAL 784 HG13 VAL 784 -15.798 7.693 11.485
35 HG21 VAL 784 HG21 VAL 784 -18.210 5.791 14.426
36 HG22 VAL 784 HG22 VAL 784 -18.982 6.439 12.979
37 HG23 VAL 784 HG23 VAL 784 -18.317 7.535 14.191
38 H ASP 785 HN ASP 785 -17.161 6.104 9.953
39 HA ASP 785 HA ASP 785 -19.631 4.550 9.671
40 HB2 ASP 785 HB2 ASP 785 -18.533 6.862 8.048
41 HB3 ASP 785 HB1 ASP 785 -20.016 5.997 7.659
42 H SER 786 HN SER 786 -19.886 3.077 7.961
43 HA SER 786 HA SER 786 -17.678 2.746 6.105
44 HB2 SER 786 HB2 SER 786 -18.482 0.537 8.010
45 HB3 SER 786 HB1 SER 786 -17.337 0.375 6.677
46 HG SER 786 HG SER 786 -16.787 2.472 8.358
47 HA PRO 787 HA PRO 787 -21.160 1.191 3.680
48 HB2 PRO 787 HB2 PRO 787 -19.443 1.750 1.407
49 HB3 PRO 787 HB1 PRO 787 -20.976 2.511 1.841
50 HG2 PRO 787 HG2 PRO 787 -18.599 3.825 1.933
51 HG3 PRO 787 HG1 PRO 787 -19.955 4.203 3.014
52 HD2 PRO 787 HD2 PRO 787 -17.517 2.524 3.546
53 HD3 PRO 787 HD1 PRO 787 -18.271 3.767 4.571
54 H SER 788 HN SER 788 -17.813 0.467 3.900
55 HA SER 788 HA SER 788 -18.351 -2.317 3.209
56 HB2 SER 788 HB2 SER 788 -17.326 -1.466 1.193
57 HB3 SER 788 HB1 SER 788 -16.064 -0.660 2.118
58 HG SER 788 HG SER 788 -16.326 -3.331 1.398
59 H ALA 789 HN ALA 789 -17.040 -3.798 4.347
60 HA ALA 789 HA ALA 789 -16.649 -3.113 7.002
61 HB1 ALA 789 HB1 ALA 789 -15.647 -5.286 7.296
62 HB2 ALA 789 HB2 ALA 789 -15.348 -5.419 5.563
63 HB3 ALA 789 HB3 ALA 789 -17.002 -5.408 6.176
64 H GLU 790 HN GLU 790 -14.075 -3.755 4.611
65 HA GLU 790 HA GLU 790 -12.227 -2.314 6.407
66 HB2 GLU 790 HB2 GLU 790 -11.556 -4.496 4.424
67 HB3 GLU 790 HB1 GLU 790 -10.437 -3.724 5.540
68 HG2 GLU 790 HG2 GLU 790 -11.524 -4.707 7.420
69 HG3 GLU 790 HG1 GLU 790 -12.838 -5.309 6.411
70 H LEU 791 HN LEU 791 -13.197 -2.815 3.053
71 HA LEU 791 HA LEU 791 -10.929 -1.517 1.978
72 HB2 LEU 791 HB2 LEU 791 -13.496 -2.391 0.701
73 HB3 LEU 791 HB1 LEU 791 -12.183 -1.663 -0.200
74 HG LEU 791 HG LEU 791 -11.983 -3.983 -0.548
75 HD11 LEU 791 HD11 LEU 791 -9.850 -4.554 0.432
76 HD12 LEU 791 HD12 LEU 791 -10.049 -3.310 1.662
77 HD13 LEU 791 HD13 LEU 791 -9.864 -2.852 -0.031
78 HD21 LEU 791 HD21 LEU 791 -12.230 -4.374 2.433
79 HD22 LEU 791 HD22 LEU 791 -11.943 -5.646 1.242
80 HD23 LEU 791 HD23 LEU 791 -13.462 -4.748 1.231
81 H ASP 792 HN ASP 792 -14.195 -0.500 2.451
82 HA ASP 792 HA ASP 792 -13.633 1.959 0.998
83 HB2 ASP 792 HB2 ASP 792 -15.787 0.542 0.644
84 HB3 ASP 792 HB1 ASP 792 -16.354 1.363 2.097
85 H LYS 793 HN LYS 793 -12.222 2.490 2.657
86 HA LYS 793 HA LYS 793 -13.249 4.612 4.235
87 HB2 LYS 793 HB2 LYS 793 -12.285 2.110 5.584
88 HB3 LYS 793 HB1 LYS 793 -11.810 3.655 6.271
89 HG2 LYS 793 HG2 LYS 793 -14.243 4.251 6.371
90 HG3 LYS 793 HG1 LYS 793 -14.595 2.580 5.917
91 HD2 LYS 793 HD2 LYS 793 -12.984 3.415 8.333
92 HD3 LYS 793 HD1 LYS 793 -14.690 2.966 8.363
93 HE2 LYS 793 HE2 LYS 793 -12.423 1.183 7.467
94 HE3 LYS 793 HE1 LYS 793 -13.228 1.105 9.035
95 HZ1 LYS 793 HZ1 LYS 793 -14.142 -0.551 7.572
96 HZ2 LYS 793 HZ2 LYS 793 -14.476 0.610 6.389
97 HZ3 LYS 793 HZ3 LYS 793 -15.318 0.639 7.857
98 H LYS 794 HN LYS 794 -10.647 2.347 3.667
99 HA LYS 794 HA LYS 794 -8.648 4.386 3.526
100 HB2 LYS 794 HB2 LYS 794 -8.566 1.462 2.759
101 HB3 LYS 794 HB1 LYS 794 -7.167 2.526 2.844
102 HG2 LYS 794 HG2 LYS 794 -8.980 1.863 5.152
103 HG3 LYS 794 HG1 LYS 794 -7.427 1.087 4.825
104 HD2 LYS 794 HD2 LYS 794 -6.237 3.121 5.151
105 HD3 LYS 794 HD1 LYS 794 -7.726 4.062 5.182
106 HE2 LYS 794 HE2 LYS 794 -8.364 3.076 7.281
107 HE3 LYS 794 HE1 LYS 794 -6.986 1.974 7.225
108 HZ1 LYS 794 HZ1 LYS 794 -6.731 4.935 7.302
109 HZ2 LYS 794 HZ2 LYS 794 -5.484 3.789 7.459
110 HZ3 LYS 794 HZ3 LYS 794 -6.650 3.943 8.676
111 H ALA 795 HN ALA 795 -9.449 1.925 1.092
112 HA ALA 795 HA ALA 795 -8.953 2.046 -1.180
113 HB1 ALA 795 HB1 ALA 795 -10.888 2.911 -2.304
114 HB2 ALA 795 HB2 ALA 795 -11.328 3.867 -0.889
115 HB3 ALA 795 HB3 ALA 795 -11.379 2.106 -0.816
116 H ASN 796 HN ASN 796 -6.936 3.281 -0.818
117 HA ASN 796 HA ASN 796 -6.850 5.620 -2.460
118 HB2 ASN 796 HB2 ASN 796 -5.828 7.124 -0.820
119 HB3 ASN 796 HB1 ASN 796 -7.445 6.678 -0.309
120 HD21 ASN 796 HD21 ASN 796 -6.637 4.061 0.742
121 HD22 ASN 796 HD22 ASN 796 -5.752 4.380 2.189
122 H LEU 797 HN LEU 797 -5.202 4.999 -3.774
123 HA LEU 797 HA LEU 797 -3.242 3.245 -2.539
124 HB2 LEU 797 HB2 LEU 797 -3.756 3.476 -5.479
125 HB3 LEU 797 HB1 LEU 797 -3.023 2.148 -4.605
126 HG LEU 797 HG LEU 797 -5.947 2.913 -4.531
127 HD11 LEU 797 HD11 LEU 797 -6.290 0.800 -5.721
128 HD12 LEU 797 HD12 LEU 797 -4.543 0.567 -5.804
129 HD13 LEU 797 HD13 LEU 797 -5.293 1.919 -6.652
130 HD21 LEU 797 HD21 LEU 797 -4.580 0.533 -3.288
131 HD22 LEU 797 HD22 LEU 797 -6.305 0.921 -3.229
132 HD23 LEU 797 HD23 LEU 797 -5.136 1.955 -2.406
133 H LEU 798 HN LEU 798 -1.165 3.527 -2.860
134 HA LEU 798 HA LEU 798 -0.053 5.542 -4.635
135 HB2 LEU 798 HB2 LEU 798 1.209 6.677 -3.013
136 HB3 LEU 798 HB1 LEU 798 -0.369 6.546 -2.261
137 HG LEU 798 HG LEU 798 2.017 4.788 -1.672
138 HD11 LEU 798 HD11 LEU 798 1.982 5.889 0.511
139 HD12 LEU 798 HD12 LEU 798 0.703 6.961 -0.059
140 HD13 LEU 798 HD13 LEU 798 2.301 7.019 -0.803
141 HD21 LEU 798 HD21 LEU 798 0.002 3.536 -1.427
142 HD22 LEU 798 HD22 LEU 798 -0.754 4.839 -0.507
143 HD23 LEU 798 HD23 LEU 798 0.610 3.949 0.179
144 H LYS 799 HN LYS 799 2.632 5.107 -4.159
145 HA LYS 799 HA LYS 799 2.709 2.268 -3.791
146 HB2 LYS 799 HB2 LYS 799 3.761 1.851 -6.032
147 HB3 LYS 799 HB1 LYS 799 2.081 2.372 -6.071
148 HG2 LYS 799 HG2 LYS 799 2.969 3.640 -7.756
149 HG3 LYS 799 HG1 LYS 799 3.111 4.736 -6.386
150 HD2 LYS 799 HD2 LYS 799 5.436 4.236 -6.136
151 HD3 LYS 799 HD1 LYS 799 5.339 2.961 -7.355
152 HE2 LYS 799 HE2 LYS 799 4.854 4.585 -9.076
153 HE3 LYS 799 HE1 LYS 799 4.774 5.878 -7.879
154 HZ1 LYS 799 HZ1 LYS 799 7.090 5.677 -7.461
155 HZ2 LYS 799 HZ2 LYS 799 6.891 5.770 -9.144
156 HZ3 LYS 799 HZ3 LYS 799 7.219 4.278 -8.417
157 H CYS 800 HN CYS 800 4.356 1.317 -3.318
158 HA CYS 800 HA CYS 800 6.474 2.198 -1.948
159 HB2 CYS 800 HB2 CYS 800 5.717 -0.062 -2.052
160 HB3 CYS 800 HB1 CYS 800 6.043 -0.156 -3.771
161 H GLU 801 HN GLU 801 7.797 3.822 -2.655
162 HA GLU 801 HA GLU 801 8.596 4.257 -5.309
163 HB2 GLU 801 HB2 GLU 801 9.428 5.321 -2.665
164 HB3 GLU 801 HB1 GLU 801 10.452 5.646 -4.058
165 HG2 GLU 801 HG2 GLU 801 7.553 6.365 -3.730
166 HG3 GLU 801 HG1 GLU 801 8.935 7.461 -3.768
167 H TYR 802 HN TYR 802 9.433 1.601 -3.824
168 HA TYR 802 HA TYR 802 12.195 1.662 -4.808
169 HB2 TYR 802 HB2 TYR 802 11.774 0.867 -2.433
170 HB3 TYR 802 HB1 TYR 802 10.925 -0.512 -3.118
171 HD1 TYR 802 HD2 TYR 802 14.207 1.236 -3.536
172 HD2 TYR 802 HD1 TYR 802 12.118 -2.458 -3.299
173 HE1 TYR 802 HE2 TYR 802 16.338 0.026 -3.715
174 HE2 TYR 802 HE1 TYR 802 14.243 -3.679 -3.477
175 HH TYR 802 HH TYR 802 17.317 -2.053 -3.298
176 H CYS 803 HN CYS 803 9.173 -0.163 -5.011
177 HA CYS 803 HA CYS 803 10.147 -1.307 -7.552
178 HB2 CYS 803 HB2 CYS 803 8.449 -3.146 -7.048
179 HB3 CYS 803 HB1 CYS 803 9.886 -3.109 -6.030
180 H GLY 804 HN GLY 804 7.490 0.483 -6.122
181 HA2 GLY 804 HA2 GLY 804 6.190 1.906 -7.468
182 HA3 GLY 804 HA1 GLY 804 6.616 0.940 -8.870
183 H LYS 805 HN LYS 805 5.570 -0.754 -6.072
184 HA LYS 805 HA LYS 805 3.255 -1.722 -7.526
185 HB2 LYS 805 HB2 LYS 805 4.364 -2.453 -4.813
186 HB3 LYS 805 HB1 LYS 805 3.022 -3.264 -5.608
187 HG2 LYS 805 HG2 LYS 805 5.834 -3.099 -6.674
188 HG3 LYS 805 HG1 LYS 805 5.125 -4.490 -5.852
189 HD2 LYS 805 HD2 LYS 805 3.551 -4.824 -7.610
190 HD3 LYS 805 HD1 LYS 805 3.980 -3.288 -8.364
191 HE2 LYS 805 HE2 LYS 805 6.175 -4.120 -8.910
192 HE3 LYS 805 HE1 LYS 805 5.863 -5.618 -8.035
193 HZ1 LYS 805 HZ1 LYS 805 4.176 -4.772 -10.312
194 HZ2 LYS 805 HZ2 LYS 805 4.342 -6.318 -9.637
195 HZ3 LYS 805 HZ3 LYS 805 5.607 -5.651 -10.547
196 H TYR 806 HN TYR 806 1.227 -1.156 -7.211
197 HA TYR 806 HA TYR 806 0.723 1.115 -5.425
198 HB2 TYR 806 HB2 TYR 806 -0.850 -0.057 -7.723
199 HB3 TYR 806 HB1 TYR 806 -1.472 1.214 -6.684
200 HD1 TYR 806 HD1 TYR 806 1.230 0.408 -9.100
201 HD2 TYR 806 HD2 TYR 806 -0.928 3.457 -7.061
202 HE1 TYR 806 HE1 TYR 806 2.275 2.106 -10.539
203 HE2 TYR 806 HE2 TYR 806 0.112 5.157 -8.491
204 HH TYR 806 HH TYR 806 1.912 4.348 -11.303
205 H ALA 807 HN ALA 807 -0.517 1.061 -3.750
206 HA ALA 807 HA ALA 807 -2.294 -1.131 -3.166
207 HB1 ALA 807 HB1 ALA 807 -1.021 -1.901 -1.198
208 HB2 ALA 807 HB2 ALA 807 0.312 -0.840 -1.665
209 HB3 ALA 807 HB3 ALA 807 -0.157 -2.183 -2.710
210 HA PRO 808 HA PRO 808 -4.061 1.888 -0.484
211 HB2 PRO 808 HB2 PRO 808 -4.706 0.539 1.790
212 HB3 PRO 808 HB1 PRO 808 -5.621 0.422 0.286
213 HG2 PRO 808 HG2 PRO 808 -3.690 -1.485 1.482
214 HG3 PRO 808 HG1 PRO 808 -5.127 -1.800 0.496
215 HD2 PRO 808 HD2 PRO 808 -2.520 -1.891 -0.413
216 HD3 PRO 808 HD1 PRO 808 -3.946 -1.674 -1.450
217 H ALA 809 HN ALA 809 -3.193 3.454 0.591
218 HA ALA 809 HA ALA 809 -0.742 3.719 1.643
219 HB1 ALA 809 HB1 ALA 809 -1.552 5.621 2.924
220 HB2 ALA 809 HB2 ALA 809 -3.210 5.032 2.772
221 HB3 ALA 809 HB3 ALA 809 -2.323 5.551 1.339
222 H GLU 810 HN GLU 810 -3.343 2.103 3.290
223 HA GLU 810 HA GLU 810 -2.492 2.275 5.956
224 HB2 GLU 810 HB2 GLU 810 -4.732 1.477 5.074
225 HB3 GLU 810 HB1 GLU 810 -3.952 -0.067 4.760
226 HG2 GLU 810 HG2 GLU 810 -5.095 -0.178 6.861
227 HG3 GLU 810 HG1 GLU 810 -3.356 -0.217 7.146
228 H GLN 811 HN GLN 811 -1.514 0.015 3.393
229 HA GLN 811 HA GLN 811 -0.227 -1.794 5.234
230 HB2 GLN 811 HB2 GLN 811 0.431 -3.047 3.348
231 HB3 GLN 811 HB1 GLN 811 -1.216 -2.510 3.049
232 HG2 GLN 811 HG2 GLN 811 -0.553 -0.973 1.444
233 HG3 GLN 811 HG1 GLN 811 1.122 -0.980 1.999
234 HE21 GLN 811 HE21 GLN 811 1.933 -1.453 0.004
235 HE22 GLN 811 HE22 GLN 811 1.775 -3.010 -0.727
236 H PHE 812 HN PHE 812 0.613 1.004 3.374
237 HA PHE 812 HA PHE 812 3.374 0.870 3.580
238 HB2 PHE 812 HB2 PHE 812 1.450 3.145 3.294
239 HB3 PHE 812 HB1 PHE 812 3.190 3.407 3.356
240 HD1 PHE 812 HD1 PHE 812 0.854 1.055 1.616
241 HD2 PHE 812 HD2 PHE 812 4.179 3.694 1.325
242 HE1 PHE 812 HE1 PHE 812 1.023 0.568 -0.789
243 HE2 PHE 812 HE2 PHE 812 4.355 3.213 -1.078
244 HZ PHE 812 HZ PHE 812 2.779 1.647 -2.140
245 H ARG 813 HN ARG 813 2.092 0.220 6.110
246 HA ARG 813 HA ARG 813 2.599 2.382 7.963
247 HB2 ARG 813 HB2 ARG 813 2.015 0.706 9.681
248 HB3 ARG 813 HB1 ARG 813 0.795 0.771 8.418
249 HG2 ARG 813 HG2 ARG 813 2.161 -1.194 7.381
250 HG3 ARG 813 HG1 ARG 813 2.777 -1.372 9.023
251 HD2 ARG 813 HD2 ARG 813 -0.133 -1.387 8.229
252 HD3 ARG 813 HD1 ARG 813 0.833 -2.813 8.594
253 HE ARG 813 HE ARG 813 0.720 -0.836 10.713
254 HH11 ARG 813 HH11 ARG 813 -0.761 -3.698 9.311
255 HH12 ARG 813 HH12 ARG 813 -1.510 -4.191 10.800
256 HH21 ARG 813 HH21 ARG 813 -0.314 -1.480 12.672
257 HH22 ARG 813 HH22 ARG 813 -1.259 -2.942 12.696
258 H GLY 814 HN GLY 814 4.127 2.115 9.780
259 HA2 GLY 814 HA2 GLY 814 6.260 1.593 10.535
260 HA3 GLY 814 HA1 GLY 814 6.487 0.562 9.130
261 H SER 815 HN SER 815 5.674 2.763 7.271
262 HA SER 815 HA SER 815 7.942 4.573 7.600
263 HB2 SER 815 HB2 SER 815 8.732 2.487 6.420
264 HB3 SER 815 HB1 SER 815 7.644 2.904 5.096
265 HG SER 815 HG SER 815 9.839 4.418 6.071
266 H LYS 816 HN LYS 816 5.123 3.698 5.603
267 HA LYS 816 HA LYS 816 4.009 4.790 3.963
268 HB2 LYS 816 HB2 LYS 816 3.249 5.998 6.031
269 HB3 LYS 816 HB1 LYS 816 4.503 7.197 5.761
270 HG2 LYS 816 HG2 LYS 816 3.440 7.952 3.755
271 HG3 LYS 816 HG1 LYS 816 2.276 6.625 3.815
272 HD2 LYS 816 HD2 LYS 816 2.539 8.787 5.904
273 HD3 LYS 816 HD1 LYS 816 1.347 8.786 4.605
274 HE2 LYS 816 HE2 LYS 816 1.599 6.570 6.637
275 HE3 LYS 816 HE1 LYS 816 0.519 7.949 6.839
276 HZ1 LYS 816 HZ1 LYS 816 -0.669 7.314 4.869
277 HZ2 LYS 816 HZ2 LYS 816 -0.586 5.970 5.901
278 HZ3 LYS 816 HZ3 LYS 816 0.426 6.063 4.542
279 H ARG 817 HN ARG 817 6.158 4.235 3.089
280 HA ARG 817 HA ARG 817 7.169 6.273 1.262
281 HB2 ARG 817 HB2 ARG 817 8.898 4.941 3.348
282 HB3 ARG 817 HB1 ARG 817 9.535 5.607 1.852
283 HG2 ARG 817 HG2 ARG 817 8.548 7.815 2.534
284 HG3 ARG 817 HG1 ARG 817 8.200 7.083 4.102
285 HD2 ARG 817 HD2 ARG 817 10.297 8.321 4.161
286 HD3 ARG 817 HD1 ARG 817 10.571 6.598 4.411
287 HE ARG 817 HE ARG 817 10.841 7.279 1.660
288 HH11 ARG 817 HH11 ARG 817 12.486 7.520 4.745
289 HH12 ARG 817 HH12 ARG 817 14.081 7.519 4.038
290 HH21 ARG 817 HH21 ARG 817 12.929 7.282 0.722
291 HH22 ARG 817 HH22 ARG 817 14.332 7.387 1.750
292 H PHE 818 HN PHE 818 7.254 3.036 2.589
293 HA PHE 818 HA PHE 818 7.333 1.976 -0.145
294 HB2 PHE 818 HB2 PHE 818 8.759 0.824 2.258
295 HB3 PHE 818 HB1 PHE 818 8.720 0.133 0.638
296 HD1 PHE 818 HD2 PHE 818 9.686 1.528 -1.262
297 HD2 PHE 818 HD1 PHE 818 10.401 2.350 2.852
298 HE1 PHE 818 HE2 PHE 818 11.654 2.866 -1.876
299 HE2 PHE 818 HE1 PHE 818 12.370 3.692 2.244
300 HZ PHE 818 HZ PHE 818 13.000 3.950 -0.123
301 H CYS 819 HN CYS 819 6.478 -0.332 -0.113
302 HA CYS 819 HA CYS 819 4.213 -0.666 1.630
303 HB2 CYS 819 HB2 CYS 819 4.393 -3.056 0.504
304 HB3 CYS 819 HB1 CYS 819 3.795 -1.696 -0.424
305 H SER 820 HN SER 820 4.968 -3.618 2.116
306 HA SER 820 HA SER 820 5.374 -2.834 4.843
307 HB2 SER 820 HB2 SER 820 5.007 -5.240 5.292
308 HB3 SER 820 HB1 SER 820 3.747 -4.516 4.281
309 HG SER 820 HG SER 820 4.412 -5.657 2.589
310 H MET 821 HN MET 821 6.813 -5.768 4.906
311 HA MET 821 HA MET 821 9.038 -4.381 6.084
312 HB2 MET 821 HB2 MET 821 8.234 -7.263 5.971
313 HB3 MET 821 HB1 MET 821 9.759 -6.752 6.680
314 HG2 MET 821 HG2 MET 821 7.060 -5.762 7.551
315 HG3 MET 821 HG1 MET 821 7.935 -7.085 8.319
316 HE1 MET 821 HE1 MET 821 8.541 -2.616 8.929
317 HE2 MET 821 HE2 MET 821 7.053 -3.496 8.583
318 HE3 MET 821 HE3 MET 821 8.241 -3.239 7.308
319 H THR 822 HN THR 822 8.895 -7.071 3.755
320 HA THR 822 HA THR 822 11.517 -7.322 3.033
321 HB THR 822 HB THR 822 9.219 -7.401 1.079
322 HG1 THR 822 HG1 THR 822 9.204 -9.683 1.767
323 HG21 THR 822 HG21 THR 822 10.589 -9.136 -0.008
324 HG22 THR 822 HG22 THR 822 11.865 -8.862 1.178
325 HG23 THR 822 HG23 THR 822 11.427 -7.584 0.045
326 H CYS 823 HN CYS 823 9.261 -4.984 1.542
327 HA CYS 823 HA CYS 823 11.258 -4.016 -0.233
328 HB2 CYS 823 HB2 CYS 823 8.521 -3.034 0.500
329 HB3 CYS 823 HB1 CYS 823 9.555 -2.197 -0.663
330 H ALA 824 HN ALA 824 9.806 -2.545 2.711
331 HA ALA 824 HA ALA 824 11.282 -0.173 2.626
332 HB1 ALA 824 HB1 ALA 824 10.252 -1.641 5.042
333 HB2 ALA 824 HB2 ALA 824 9.336 -0.500 4.059
334 HB3 ALA 824 HB3 ALA 824 10.736 0.053 4.978
335 H LYS 825 HN LYS 825 11.964 -3.251 4.328
336 HA LYS 825 HA LYS 825 14.340 -2.383 5.546
337 HB2 LYS 825 HB2 LYS 825 14.724 -4.635 6.141
338 HB3 LYS 825 HB1 LYS 825 12.980 -4.433 6.129
339 HG2 LYS 825 HG2 LYS 825 12.908 -5.462 3.887
340 HG3 LYS 825 HG1 LYS 825 14.646 -5.736 3.989
341 HD2 LYS 825 HD2 LYS 825 12.557 -6.872 5.840
342 HD3 LYS 825 HD1 LYS 825 13.408 -7.752 4.572
343 HE2 LYS 825 HE2 LYS 825 15.544 -7.239 5.752
344 HE3 LYS 825 HE1 LYS 825 14.595 -6.545 7.066
345 HZ1 LYS 825 HZ1 LYS 825 14.691 -9.368 6.173
346 HZ2 LYS 825 HZ2 LYS 825 13.444 -8.783 7.157
347 HZ3 LYS 825 HZ3 LYS 825 15.050 -8.739 7.709
348 H ARG 826 HN ARG 826 13.672 -3.675 2.360
349 HA ARG 826 HA ARG 826 16.295 -4.499 1.792
350 HB2 ARG 826 HB2 ARG 826 14.389 -5.444 0.637
351 HB3 ARG 826 HB1 ARG 826 13.978 -3.878 -0.044
352 HG2 ARG 826 HG2 ARG 826 15.934 -3.910 -1.428
353 HG3 ARG 826 HG1 ARG 826 16.507 -5.391 -0.656
354 HD2 ARG 826 HD2 ARG 826 14.810 -6.688 -1.615
355 HD3 ARG 826 HD1 ARG 826 13.831 -5.275 -2.010
356 HE ARG 826 HE ARG 826 16.382 -5.403 -3.363
357 HH11 ARG 826 HH11 ARG 826 13.016 -6.360 -3.477
358 HH12 ARG 826 HH12 ARG 826 12.947 -6.376 -5.217
359 HH21 ARG 826 HH21 ARG 826 16.299 -5.433 -5.657
360 HH22 ARG 826 HH22 ARG 826 14.809 -5.853 -6.448
361 H TYR 827 HN TYR 827 14.715 -1.430 1.650
362 HA TYR 827 HA TYR 827 16.670 -0.352 -0.207
363 HB2 TYR 827 HB2 TYR 827 14.376 0.455 -0.431
364 HB3 TYR 827 HB1 TYR 827 14.368 0.993 1.244
365 HD1 TYR 827 HD1 TYR 827 16.179 1.558 -1.974
366 HD2 TYR 827 HD2 TYR 827 14.865 3.206 1.720
367 HE1 TYR 827 HE1 TYR 827 16.953 3.776 -2.694
368 HE2 TYR 827 HE2 TYR 827 15.636 5.428 1.011
369 HH TYR 827 HH TYR 827 16.638 6.058 -2.251
370 H ASN 828 HN ASN 828 16.804 -1.106 2.935
371 HA ASN 828 HA ASN 828 19.055 0.650 3.319
372 HB2 ASN 828 HB2 ASN 828 18.173 1.250 5.687
373 HB3 ASN 828 HB1 ASN 828 17.619 2.178 4.304
374 HD21 ASN 828 HD21 ASN 828 16.514 -1.047 5.202
375 HD22 ASN 828 HD22 ASN 828 14.888 -0.569 5.562
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -16.616 -17.117 -5.998
2 H2 GLY 1 HT2 GLY 1 -16.107 -15.758 -6.875
3 H3 GLY 1 HT3 GLY 1 -17.432 -15.642 -5.828
4 HA2 GLY 1 HA1 GLY 1 -16.034 -16.005 -3.919
5 HA3 GLY 1 HA2 GLY 1 -14.648 -16.207 -4.984
6 H THR 2 HN THR 2 -14.292 -14.355 -3.148
7 HA THR 2 HA THR 2 -15.171 -11.757 -3.982
8 HB THR 2 HB THR 2 -12.850 -12.434 -2.161
9 HG1 THR 2 HG1 THR 2 -14.345 -12.471 -0.504
10 HG21 THR 2 HG21 THR 2 -12.933 -10.091 -2.905
11 HG22 THR 2 HG22 THR 2 -13.302 -10.233 -1.186
12 HG23 THR 2 HG23 THR 2 -14.603 -9.976 -2.348
13 H ARG 3 HN ARG 3 -14.603 -11.528 -6.124
14 HA ARG 3 HA ARG 3 -11.859 -12.007 -6.950
15 HB2 ARG 3 HB2 ARG 3 -13.687 -12.790 -8.366
16 HB3 ARG 3 HB1 ARG 3 -14.301 -11.150 -8.511
17 HG2 ARG 3 HG2 ARG 3 -12.427 -10.475 -9.805
18 HG3 ARG 3 HG1 ARG 3 -11.573 -11.983 -9.467
19 HD2 ARG 3 HD2 ARG 3 -14.186 -11.803 -10.963
20 HD3 ARG 3 HD1 ARG 3 -12.601 -11.876 -11.735
21 HE ARG 3 HE ARG 3 -12.717 -14.031 -10.004
22 HH11 ARG 3 HH11 ARG 3 -14.567 -12.926 -12.766
23 HH12 ARG 3 HH12 ARG 3 -14.924 -14.534 -13.320
24 HH21 ARG 3 HH21 ARG 3 -13.169 -16.119 -10.724
25 HH22 ARG 3 HH22 ARG 3 -14.098 -16.355 -12.177
26 H GLY 783 HN GLY 783 -10.866 -10.353 -5.747
27 HA2 GLY 783 HA2 GLY 783 -10.790 -7.836 -7.187
28 HA3 GLY 783 HA1 GLY 783 -11.302 -7.727 -5.506
29 H VAL 784 HN VAL 784 -8.706 -7.521 -7.519
30 HA VAL 784 HA VAL 784 -6.794 -8.338 -5.446
31 HB VAL 784 HB VAL 784 -6.253 -7.508 -8.311
32 HG11 VAL 784 HG11 VAL 784 -4.378 -7.021 -6.836
33 HG12 VAL 784 HG12 VAL 784 -3.996 -8.367 -7.909
34 HG13 VAL 784 HG13 VAL 784 -4.415 -8.675 -6.224
35 HG21 VAL 784 HG21 VAL 784 -5.772 -9.877 -8.697
36 HG22 VAL 784 HG22 VAL 784 -7.447 -9.622 -8.206
37 HG23 VAL 784 HG23 VAL 784 -6.272 -10.243 -7.046
38 H ASP 785 HN ASP 785 -6.707 -5.704 -7.835
39 HA ASP 785 HA ASP 785 -6.933 -3.732 -5.683
40 HB2 ASP 785 HB2 ASP 785 -4.801 -3.666 -7.846
41 HB3 ASP 785 HB1 ASP 785 -5.166 -2.330 -6.761
42 H SER 786 HN SER 786 -8.824 -4.731 -7.310
43 HA SER 786 HA SER 786 -9.125 -3.507 -9.841
44 HB2 SER 786 HB2 SER 786 -11.287 -4.722 -8.128
45 HB3 SER 786 HB1 SER 786 -11.221 -4.636 -9.890
46 HG SER 786 HG SER 786 -10.098 -6.409 -9.908
47 HA PRO 787 HA PRO 787 -11.012 0.371 -8.391
48 HB2 PRO 787 HB2 PRO 787 -11.269 0.837 -11.283
49 HB3 PRO 787 HB1 PRO 787 -10.439 1.809 -10.066
50 HG2 PRO 787 HG2 PRO 787 -9.094 0.400 -11.920
51 HG3 PRO 787 HG1 PRO 787 -8.469 0.630 -10.277
52 HD2 PRO 787 HD2 PRO 787 -9.830 -1.756 -11.473
53 HD3 PRO 787 HD1 PRO 787 -8.428 -1.689 -10.383
54 H SER 788 HN SER 788 -12.086 -2.336 -9.907
55 HA SER 788 HA SER 788 -14.742 -1.491 -10.614
56 HB2 SER 788 HB2 SER 788 -13.603 -4.283 -10.335
57 HB3 SER 788 HB1 SER 788 -15.063 -3.822 -11.203
58 HG SER 788 HG SER 788 -13.730 -2.576 -12.613
59 H ALA 789 HN ALA 789 -13.313 -3.594 -8.090
60 HA ALA 789 HA ALA 789 -15.812 -3.279 -6.558
61 HB1 ALA 789 HB1 ALA 789 -15.645 -5.512 -7.589
62 HB2 ALA 789 HB2 ALA 789 -15.654 -5.574 -5.827
63 HB3 ALA 789 HB3 ALA 789 -14.141 -5.783 -6.710
64 H GLU 790 HN GLU 790 -12.343 -3.327 -6.511
65 HA GLU 790 HA GLU 790 -12.088 -3.634 -3.672
66 HB2 GLU 790 HB2 GLU 790 -10.159 -2.920 -5.852
67 HB3 GLU 790 HB1 GLU 790 -9.697 -2.848 -4.159
68 HG2 GLU 790 HG2 GLU 790 -10.786 -5.313 -5.498
69 HG3 GLU 790 HG1 GLU 790 -9.067 -4.960 -5.320
70 H LEU 791 HN LEU 791 -13.140 -1.068 -5.490
71 HA LEU 791 HA LEU 791 -11.779 1.007 -4.126
72 HB2 LEU 791 HB2 LEU 791 -13.709 2.448 -5.019
73 HB3 LEU 791 HB1 LEU 791 -12.609 1.718 -6.168
74 HG LEU 791 HG LEU 791 -14.291 -0.054 -6.613
75 HD11 LEU 791 HD11 LEU 791 -16.099 1.624 -4.877
76 HD12 LEU 791 HD12 LEU 791 -15.494 0.017 -4.477
77 HD13 LEU 791 HD13 LEU 791 -16.585 0.232 -5.846
78 HD21 LEU 791 HD21 LEU 791 -15.810 1.373 -7.883
79 HD22 LEU 791 HD22 LEU 791 -14.139 1.919 -8.028
80 HD23 LEU 791 HD23 LEU 791 -15.260 2.774 -6.967
81 H ASP 792 HN ASP 792 -13.809 -1.167 -3.045
82 HA ASP 792 HA ASP 792 -14.901 0.557 -0.912
83 HB2 ASP 792 HB2 ASP 792 -16.612 -0.639 -2.283
84 HB3 ASP 792 HB1 ASP 792 -15.878 -2.169 -1.819
85 H LYS 793 HN LYS 793 -12.272 -0.312 -1.071
86 HA LYS 793 HA LYS 793 -11.848 -1.852 1.310
87 HB2 LYS 793 HB2 LYS 793 -11.002 -2.981 -1.378
88 HB3 LYS 793 HB1 LYS 793 -10.421 -3.573 0.169
89 HG2 LYS 793 HG2 LYS 793 -13.329 -3.574 -0.579
90 HG3 LYS 793 HG1 LYS 793 -12.240 -4.911 -0.950
91 HD2 LYS 793 HD2 LYS 793 -12.608 -3.826 1.833
92 HD3 LYS 793 HD1 LYS 793 -13.596 -5.131 1.177
93 HE2 LYS 793 HE2 LYS 793 -11.542 -6.435 0.762
94 HE3 LYS 793 HE1 LYS 793 -10.594 -5.143 1.495
95 HZ1 LYS 793 HZ1 LYS 793 -11.651 -5.519 3.585
96 HZ2 LYS 793 HZ2 LYS 793 -11.112 -7.023 3.011
97 HZ3 LYS 793 HZ3 LYS 793 -12.754 -6.612 2.905
98 H LYS 794 HN LYS 794 -10.580 -0.428 -1.640
99 HA LYS 794 HA LYS 794 -8.535 0.978 -0.171
100 HB2 LYS 794 HB2 LYS 794 -6.751 0.211 -1.696
101 HB3 LYS 794 HB1 LYS 794 -7.431 -1.134 -0.788
102 HG2 LYS 794 HG2 LYS 794 -8.867 -1.653 -2.753
103 HG3 LYS 794 HG1 LYS 794 -8.005 -0.405 -3.651
104 HD2 LYS 794 HD2 LYS 794 -7.099 -2.586 -4.165
105 HD3 LYS 794 HD1 LYS 794 -5.904 -1.630 -3.290
106 HE2 LYS 794 HE2 LYS 794 -6.243 -2.846 -1.302
107 HE3 LYS 794 HE1 LYS 794 -7.729 -3.577 -1.911
108 HZ1 LYS 794 HZ1 LYS 794 -6.524 -4.925 -3.387
109 HZ2 LYS 794 HZ2 LYS 794 -5.693 -5.036 -1.916
110 HZ3 LYS 794 HZ3 LYS 794 -5.086 -4.057 -3.167
111 H ALA 795 HN ALA 795 -7.748 2.784 -1.360
112 HA ALA 795 HA ALA 795 -8.542 3.390 -4.007
113 HB1 ALA 795 HB1 ALA 795 -10.128 5.198 -3.547
114 HB2 ALA 795 HB2 ALA 795 -10.087 4.790 -1.831
115 HB3 ALA 795 HB3 ALA 795 -10.746 3.641 -2.996
116 H ASN 796 HN ASN 796 -7.732 4.661 -0.860
117 HA ASN 796 HA ASN 796 -6.081 6.769 -1.879
118 HB2 ASN 796 HB2 ASN 796 -5.192 6.765 0.543
119 HB3 ASN 796 HB1 ASN 796 -6.872 7.204 0.285
120 HD21 ASN 796 HD21 ASN 796 -5.684 3.891 0.184
121 HD22 ASN 796 HD22 ASN 796 -6.511 3.358 1.610
122 H LEU 797 HN LEU 797 -5.010 5.299 -3.438
123 HA LEU 797 HA LEU 797 -3.024 3.491 -2.288
124 HB2 LEU 797 HB2 LEU 797 -3.667 3.882 -5.187
125 HB3 LEU 797 HB1 LEU 797 -2.873 2.517 -4.435
126 HG LEU 797 HG LEU 797 -5.796 3.241 -4.198
127 HD11 LEU 797 HD11 LEU 797 -6.142 1.136 -5.414
128 HD12 LEU 797 HD12 LEU 797 -4.395 0.969 -5.595
129 HD13 LEU 797 HD13 LEU 797 -5.237 2.316 -6.361
130 HD21 LEU 797 HD21 LEU 797 -4.986 2.267 -2.126
131 HD22 LEU 797 HD22 LEU 797 -4.275 0.922 -3.018
132 HD23 LEU 797 HD23 LEU 797 -6.027 1.132 -2.984
133 H LEU 798 HN LEU 798 -0.921 3.679 -2.679
134 HA LEU 798 HA LEU 798 0.124 5.632 -4.520
135 HB2 LEU 798 HB2 LEU 798 1.686 6.640 -2.967
136 HB3 LEU 798 HB1 LEU 798 0.051 6.941 -2.446
137 HG LEU 798 HG LEU 798 1.370 6.580 -0.513
138 HD11 LEU 798 HD11 LEU 798 0.369 4.626 0.535
139 HD12 LEU 798 HD12 LEU 798 -0.179 4.059 -1.043
140 HD13 LEU 798 HD13 LEU 798 -0.817 5.562 -0.374
141 HD21 LEU 798 HD21 LEU 798 2.608 4.425 -0.177
142 HD22 LEU 798 HD22 LEU 798 3.293 5.540 -1.360
143 HD23 LEU 798 HD23 LEU 798 2.379 4.133 -1.904
144 H LYS 799 HN LYS 799 2.814 5.142 -4.287
145 HA LYS 799 HA LYS 799 2.891 2.290 -3.916
146 HB2 LYS 799 HB2 LYS 799 3.665 1.718 -6.129
147 HB3 LYS 799 HB1 LYS 799 2.184 2.642 -6.290
148 HG2 LYS 799 HG2 LYS 799 4.932 3.823 -6.607
149 HG3 LYS 799 HG1 LYS 799 3.968 3.201 -7.944
150 HD2 LYS 799 HD2 LYS 799 2.162 4.820 -7.218
151 HD3 LYS 799 HD1 LYS 799 3.368 5.542 -6.149
152 HE2 LYS 799 HE2 LYS 799 4.808 5.988 -8.074
153 HE3 LYS 799 HE1 LYS 799 3.611 5.252 -9.140
154 HZ1 LYS 799 HZ1 LYS 799 3.487 7.818 -7.700
155 HZ2 LYS 799 HZ2 LYS 799 2.050 7.019 -8.110
156 HZ3 LYS 799 HZ3 LYS 799 3.136 7.485 -9.326
157 H CYS 800 HN CYS 800 4.651 1.355 -3.558
158 HA CYS 800 HA CYS 800 6.723 2.375 -2.200
159 HB2 CYS 800 HB2 CYS 800 6.050 0.058 -2.360
160 HB3 CYS 800 HB1 CYS 800 6.530 -0.001 -4.045
161 H GLU 801 HN GLU 801 8.141 3.921 -2.811
162 HA GLU 801 HA GLU 801 8.911 4.563 -5.413
163 HB2 GLU 801 HB2 GLU 801 10.335 5.059 -2.805
164 HB3 GLU 801 HB1 GLU 801 10.754 5.823 -4.330
165 HG2 GLU 801 HG2 GLU 801 8.522 6.844 -4.417
166 HG3 GLU 801 HG1 GLU 801 8.139 6.104 -2.861
167 H TYR 802 HN TYR 802 9.628 1.692 -4.057
168 HA TYR 802 HA TYR 802 12.309 1.622 -5.237
169 HB2 TYR 802 HB2 TYR 802 11.911 0.820 -2.813
170 HB3 TYR 802 HB1 TYR 802 11.123 -0.578 -3.537
171 HD1 TYR 802 HD2 TYR 802 14.315 1.194 -3.126
172 HD2 TYR 802 HD1 TYR 802 12.413 -2.312 -4.610
173 HE1 TYR 802 HE2 TYR 802 16.508 0.116 -3.375
174 HE2 TYR 802 HE1 TYR 802 14.605 -3.399 -4.865
175 HH TYR 802 HH TYR 802 17.483 -2.050 -3.524
176 H CYS 803 HN CYS 803 9.259 -0.220 -5.165
177 HA CYS 803 HA CYS 803 10.048 -1.387 -7.764
178 HB2 CYS 803 HB2 CYS 803 8.393 -3.231 -7.138
179 HB3 CYS 803 HB1 CYS 803 9.888 -3.183 -6.210
180 H GLY 804 HN GLY 804 7.451 0.296 -6.122
181 HA2 GLY 804 HA2 GLY 804 6.065 1.773 -7.333
182 HA3 GLY 804 HA1 GLY 804 6.412 0.867 -8.797
183 H LYS 805 HN LYS 805 5.529 -0.881 -5.945
184 HA LYS 805 HA LYS 805 3.158 -1.875 -7.240
185 HB2 LYS 805 HB2 LYS 805 4.321 -2.384 -4.499
186 HB3 LYS 805 HB1 LYS 805 2.877 -3.172 -5.117
187 HG2 LYS 805 HG2 LYS 805 4.214 -4.128 -6.951
188 HG3 LYS 805 HG1 LYS 805 5.656 -3.379 -6.261
189 HD2 LYS 805 HD2 LYS 805 5.338 -4.663 -4.200
190 HD3 LYS 805 HD1 LYS 805 3.891 -5.406 -4.887
191 HE2 LYS 805 HE2 LYS 805 6.681 -5.649 -6.014
192 HE3 LYS 805 HE1 LYS 805 5.872 -6.868 -5.031
193 HZ1 LYS 805 HZ1 LYS 805 4.119 -6.952 -6.768
194 HZ2 LYS 805 HZ2 LYS 805 5.639 -7.470 -7.306
195 HZ3 LYS 805 HZ3 LYS 805 5.070 -5.928 -7.736
196 H TYR 806 HN TYR 806 1.169 -1.147 -7.017
197 HA TYR 806 HA TYR 806 0.712 1.187 -5.307
198 HB2 TYR 806 HB2 TYR 806 -1.107 -0.093 -7.367
199 HB3 TYR 806 HB1 TYR 806 -1.385 1.436 -6.546
200 HD1 TYR 806 HD1 TYR 806 0.726 -0.280 -9.042
201 HD2 TYR 806 HD2 TYR 806 -0.387 3.447 -7.321
202 HE1 TYR 806 HE1 TYR 806 1.913 0.902 -10.845
203 HE2 TYR 806 HE2 TYR 806 0.792 4.637 -9.116
204 HH TYR 806 HH TYR 806 2.557 4.270 -10.709
205 H ALA 807 HN ALA 807 -0.475 1.177 -3.562
206 HA ALA 807 HA ALA 807 -2.195 -1.037 -2.872
207 HB1 ALA 807 HB1 ALA 807 0.378 -0.621 -1.342
208 HB2 ALA 807 HB2 ALA 807 0.040 -1.969 -2.427
209 HB3 ALA 807 HB3 ALA 807 -0.895 -1.775 -0.943
210 HA PRO 808 HA PRO 808 -4.078 1.975 -0.232
211 HB2 PRO 808 HB2 PRO 808 -4.530 0.496 2.050
212 HB3 PRO 808 HB1 PRO 808 -5.564 0.460 0.619
213 HG2 PRO 808 HG2 PRO 808 -3.425 -1.444 1.462
214 HG3 PRO 808 HG1 PRO 808 -5.002 -1.783 0.725
215 HD2 PRO 808 HD2 PRO 808 -2.724 -1.846 -0.702
216 HD3 PRO 808 HD1 PRO 808 -4.249 -1.277 -1.406
217 H ALA 809 HN ALA 809 -3.211 3.531 0.897
218 HA ALA 809 HA ALA 809 -0.731 3.820 1.857
219 HB1 ALA 809 HB1 ALA 809 -3.188 5.022 3.124
220 HB2 ALA 809 HB2 ALA 809 -2.352 5.626 1.693
221 HB3 ALA 809 HB3 ALA 809 -1.540 5.639 3.257
222 H GLU 810 HN GLU 810 -3.411 2.379 3.522
223 HA GLU 810 HA GLU 810 -2.386 2.255 6.161
224 HB2 GLU 810 HB2 GLU 810 -4.788 2.016 5.364
225 HB3 GLU 810 HB1 GLU 810 -4.371 0.370 4.910
226 HG2 GLU 810 HG2 GLU 810 -5.462 0.484 7.080
227 HG3 GLU 810 HG1 GLU 810 -3.827 -0.161 7.190
228 H GLN 811 HN GLN 811 -1.904 0.322 3.342
229 HA GLN 811 HA GLN 811 -0.976 -2.015 4.759
230 HB2 GLN 811 HB2 GLN 811 -2.107 -2.306 2.634
231 HB3 GLN 811 HB1 GLN 811 -0.929 -1.290 1.821
232 HG2 GLN 811 HG2 GLN 811 0.303 -3.527 3.206
233 HG3 GLN 811 HG1 GLN 811 -0.897 -4.040 2.026
234 HE21 GLN 811 HE21 GLN 811 0.982 -1.116 1.644
235 HE22 GLN 811 HE22 GLN 811 1.908 -1.674 0.305
236 H PHE 812 HN PHE 812 0.389 0.815 3.235
237 HA PHE 812 HA PHE 812 3.060 -0.026 3.313
238 HB2 PHE 812 HB2 PHE 812 1.785 2.696 3.192
239 HB3 PHE 812 HB1 PHE 812 3.531 2.469 3.176
240 HD1 PHE 812 HD1 PHE 812 0.412 1.774 1.343
241 HD2 PHE 812 HD2 PHE 812 4.662 1.751 1.239
242 HE1 PHE 812 HE1 PHE 812 0.349 1.391 -1.085
243 HE2 PHE 812 HE2 PHE 812 4.607 1.366 -1.188
244 HZ PHE 812 HZ PHE 812 2.447 1.185 -2.354
245 H ARG 813 HN ARG 813 2.767 -0.981 5.560
246 HA ARG 813 HA ARG 813 2.984 0.706 7.847
247 HB2 ARG 813 HB2 ARG 813 3.894 -2.154 7.447
248 HB3 ARG 813 HB1 ARG 813 3.776 -1.333 8.997
249 HG2 ARG 813 HG2 ARG 813 1.361 -1.090 8.680
250 HG3 ARG 813 HG1 ARG 813 1.488 -1.934 7.135
251 HD2 ARG 813 HD2 ARG 813 0.740 -3.465 8.858
252 HD3 ARG 813 HD1 ARG 813 2.355 -3.910 8.309
253 HE ARG 813 HE ARG 813 2.982 -2.464 10.428
254 HH11 ARG 813 HH11 ARG 813 0.470 -4.881 10.068
255 HH12 ARG 813 HH12 ARG 813 0.495 -5.336 11.745
256 HH21 ARG 813 HH21 ARG 813 3.035 -3.075 12.618
257 HH22 ARG 813 HH22 ARG 813 1.936 -4.290 13.204
258 H GLY 814 HN GLY 814 5.048 0.176 5.297
259 HA2 GLY 814 HA2 GLY 814 7.497 0.690 6.787
260 HA3 GLY 814 HA1 GLY 814 7.354 0.506 5.042
261 H SER 815 HN SER 815 5.702 2.652 7.337
262 HA SER 815 HA SER 815 5.361 4.917 7.364
263 HB2 SER 815 HB2 SER 815 7.842 4.684 7.946
264 HB3 SER 815 HB1 SER 815 8.181 5.088 6.267
265 HG SER 815 HG SER 815 6.824 6.692 8.182
266 H LYS 816 HN LYS 816 4.455 3.577 5.078
267 HA LYS 816 HA LYS 816 3.144 4.198 3.355
268 HB2 LYS 816 HB2 LYS 816 3.625 7.075 4.170
269 HB3 LYS 816 HB1 LYS 816 2.216 6.405 3.366
270 HG2 LYS 816 HG2 LYS 816 3.044 5.828 6.204
271 HG3 LYS 816 HG1 LYS 816 1.786 6.964 5.709
272 HD2 LYS 816 HD2 LYS 816 0.515 5.140 4.715
273 HD3 LYS 816 HD1 LYS 816 1.788 3.998 5.152
274 HE2 LYS 816 HE2 LYS 816 -0.015 3.852 6.747
275 HE3 LYS 816 HE1 LYS 816 1.407 4.534 7.529
276 HZ1 LYS 816 HZ1 LYS 816 -0.974 6.030 6.572
277 HZ2 LYS 816 HZ2 LYS 816 0.425 6.755 7.192
278 HZ3 LYS 816 HZ3 LYS 816 -0.524 5.759 8.185
279 H ARG 817 HN ARG 817 5.861 3.862 2.766
280 HA ARG 817 HA ARG 817 6.228 5.533 0.388
281 HB2 ARG 817 HB2 ARG 817 8.160 5.310 2.690
282 HB3 ARG 817 HB1 ARG 817 8.690 5.709 1.062
283 HG2 ARG 817 HG2 ARG 817 7.379 7.711 1.057
284 HG3 ARG 817 HG1 ARG 817 6.627 7.277 2.591
285 HD2 ARG 817 HD2 ARG 817 9.582 7.733 2.247
286 HD3 ARG 817 HD1 ARG 817 8.451 8.993 2.739
287 HE ARG 817 HE ARG 817 7.920 7.214 4.594
288 HH11 ARG 817 HH11 ARG 817 11.062 8.087 3.279
289 HH12 ARG 817 HH12 ARG 817 11.914 7.723 4.751
290 HH21 ARG 817 HH21 ARG 817 9.048 6.792 6.546
291 HH22 ARG 817 HH22 ARG 817 10.782 6.971 6.591
292 H PHE 818 HN PHE 818 6.948 2.667 2.274
293 HA PHE 818 HA PHE 818 7.546 1.335 -0.259
294 HB2 PHE 818 HB2 PHE 818 9.141 0.951 2.288
295 HB3 PHE 818 HB1 PHE 818 9.324 0.008 0.810
296 HD1 PHE 818 HD2 PHE 818 10.208 1.077 -1.235
297 HD2 PHE 818 HD1 PHE 818 10.109 3.100 2.506
298 HE1 PHE 818 HE2 PHE 818 11.850 2.707 -2.076
299 HE2 PHE 818 HE1 PHE 818 11.748 4.733 1.673
300 HZ PHE 818 HZ PHE 818 12.555 4.575 -0.668
301 H CYS 819 HN CYS 819 6.804 -0.741 -0.421
302 HA CYS 819 HA CYS 819 4.458 -1.165 1.187
303 HB2 CYS 819 HB2 CYS 819 4.321 -3.185 -0.481
304 HB3 CYS 819 HB1 CYS 819 3.953 -1.552 -1.017
305 H SER 820 HN SER 820 5.233 -2.052 3.312
306 HA SER 820 HA SER 820 4.808 -4.005 4.349
307 HB2 SER 820 HB2 SER 820 4.454 -5.326 2.307
308 HB3 SER 820 HB1 SER 820 6.198 -5.416 2.050
309 HG SER 820 HG SER 820 5.070 -7.254 3.161
310 H MET 821 HN MET 821 6.910 -5.987 4.678
311 HA MET 821 HA MET 821 8.789 -4.339 6.171
312 HB2 MET 821 HB2 MET 821 8.535 -7.336 5.920
313 HB3 MET 821 HB1 MET 821 9.634 -6.502 7.006
314 HG2 MET 821 HG2 MET 821 6.637 -6.261 7.099
315 HG3 MET 821 HG1 MET 821 7.584 -7.360 8.093
316 HE1 MET 821 HE1 MET 821 7.398 -3.489 7.097
317 HE2 MET 821 HE2 MET 821 7.005 -2.862 8.696
318 HE3 MET 821 HE3 MET 821 5.913 -3.995 7.900
319 H THR 822 HN THR 822 9.125 -7.040 3.899
320 HA THR 822 HA THR 822 11.781 -7.069 3.218
321 HB THR 822 HB THR 822 9.564 -7.232 1.198
322 HG1 THR 822 HG1 THR 822 10.189 -9.620 2.262
323 HG21 THR 822 HG21 THR 822 11.014 -8.906 0.176
324 HG22 THR 822 HG22 THR 822 12.187 -8.701 1.476
325 HG23 THR 822 HG23 THR 822 11.872 -7.374 0.357
326 H CYS 823 HN CYS 823 9.369 -4.869 1.794
327 HA CYS 823 HA CYS 823 11.258 -3.789 -0.052
328 HB2 CYS 823 HB2 CYS 823 8.501 -2.959 0.765
329 HB3 CYS 823 HB1 CYS 823 9.460 -2.083 -0.428
330 H ALA 824 HN ALA 824 9.815 -2.579 2.982
331 HA ALA 824 HA ALA 824 11.128 -0.091 2.924
332 HB1 ALA 824 HB1 ALA 824 10.591 0.042 5.310
333 HB2 ALA 824 HB2 ALA 824 10.159 -1.668 5.307
334 HB3 ALA 824 HB3 ALA 824 9.208 -0.515 4.370
335 H LYS 825 HN LYS 825 12.019 -3.222 4.334
336 HA LYS 825 HA LYS 825 14.405 -2.350 5.555
337 HB2 LYS 825 HB2 LYS 825 13.780 -5.122 4.525
338 HB3 LYS 825 HB1 LYS 825 14.989 -4.700 5.729
339 HG2 LYS 825 HG2 LYS 825 12.001 -4.575 6.001
340 HG3 LYS 825 HG1 LYS 825 13.129 -5.612 6.874
341 HD2 LYS 825 HD2 LYS 825 12.970 -2.612 7.063
342 HD3 LYS 825 HD1 LYS 825 12.352 -3.756 8.255
343 HE2 LYS 825 HE2 LYS 825 15.242 -3.471 7.427
344 HE3 LYS 825 HE1 LYS 825 14.539 -2.839 8.915
345 HZ1 LYS 825 HZ1 LYS 825 14.690 -5.718 8.163
346 HZ2 LYS 825 HZ2 LYS 825 14.024 -5.102 9.594
347 HZ3 LYS 825 HZ3 LYS 825 15.682 -4.934 9.295
348 H ARG 826 HN ARG 826 13.694 -3.349 2.264
349 HA ARG 826 HA ARG 826 16.374 -3.866 1.620
350 HB2 ARG 826 HB2 ARG 826 14.390 -4.740 0.388
351 HB3 ARG 826 HB1 ARG 826 14.127 -3.133 -0.264
352 HG2 ARG 826 HG2 ARG 826 16.108 -3.225 -1.552
353 HG3 ARG 826 HG1 ARG 826 16.664 -4.678 -0.715
354 HD2 ARG 826 HD2 ARG 826 14.870 -5.975 -1.664
355 HD3 ARG 826 HD1 ARG 826 14.157 -4.531 -2.379
356 HE ARG 826 HE ARG 826 16.687 -4.673 -3.426
357 HH11 ARG 826 HH11 ARG 826 13.959 -6.877 -3.290
358 HH12 ARG 826 HH12 ARG 826 14.255 -7.531 -4.872
359 HH21 ARG 826 HH21 ARG 826 17.082 -5.570 -5.502
360 HH22 ARG 826 HH22 ARG 826 16.020 -6.807 -6.110
361 H TYR 827 HN TYR 827 14.486 -1.030 1.855
362 HA TYR 827 HA TYR 827 16.406 0.644 0.427
363 HB2 TYR 827 HB2 TYR 827 14.116 1.320 0.107
364 HB3 TYR 827 HB1 TYR 827 13.800 1.265 1.836
365 HD1 TYR 827 HD1 TYR 827 15.621 3.122 -0.799
366 HD2 TYR 827 HD2 TYR 827 14.177 3.165 3.197
367 HE1 TYR 827 HE1 TYR 827 16.158 5.514 -0.643
368 HE2 TYR 827 HE2 TYR 827 14.715 5.561 3.371
369 HH TYR 827 HH TYR 827 15.457 7.488 0.675
370 H ASN 828 HN ASN 828 15.043 0.284 3.647
371 HA ASN 828 HA ASN 828 15.666 1.234 5.632
372 HB2 ASN 828 HB2 ASN 828 17.312 -0.109 6.713
373 HB3 ASN 828 HB1 ASN 828 16.387 -1.114 5.620
374 HD21 ASN 828 HD21 ASN 828 17.960 -0.205 3.270
375 HD22 ASN 828 HD22 ASN 828 19.474 -1.019 3.409
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -14.187 -2.283 4.952
2 H2 GLY 1 HT2 GLY 1 -13.654 -3.887 4.829
3 H3 GLY 1 HT3 GLY 1 -13.157 -2.929 6.135
4 HA2 GLY 1 HA1 GLY 1 -15.977 -3.649 5.614
5 HA3 GLY 1 HA2 GLY 1 -14.919 -4.570 6.674
6 H THR 2 HN THR 2 -16.116 -4.177 8.498
7 HA THR 2 HA THR 2 -16.405 -3.174 10.514
8 HB THR 2 HB THR 2 -14.988 -0.742 9.412
9 HG1 THR 2 HG1 THR 2 -13.190 -1.909 10.692
10 HG21 THR 2 HG21 THR 2 -15.327 -1.770 12.236
11 HG22 THR 2 HG22 THR 2 -16.173 -0.392 11.533
12 HG23 THR 2 HG23 THR 2 -14.426 -0.331 11.759
13 H ARG 3 HN ARG 3 -16.822 -0.802 7.870
14 HA ARG 3 HA ARG 3 -19.552 -0.330 8.848
15 HB2 ARG 3 HB2 ARG 3 -19.265 2.110 8.419
16 HB3 ARG 3 HB1 ARG 3 -18.293 1.510 9.757
17 HG2 ARG 3 HG2 ARG 3 -16.322 1.482 8.349
18 HG3 ARG 3 HG1 ARG 3 -17.282 1.999 6.961
19 HD2 ARG 3 HD2 ARG 3 -16.952 3.583 9.505
20 HD3 ARG 3 HD1 ARG 3 -16.002 3.833 8.042
21 HE ARG 3 HE ARG 3 -18.667 3.991 7.285
22 HH11 ARG 3 HH11 ARG 3 -16.531 5.696 9.469
23 HH12 ARG 3 HH12 ARG 3 -17.302 7.233 9.239
24 HH21 ARG 3 HH21 ARG 3 -19.698 6.004 6.992
25 HH22 ARG 3 HH22 ARG 3 -19.108 7.413 7.826
26 H GLY 783 HN GLY 783 -18.659 -1.936 6.699
27 HA2 GLY 783 HA2 GLY 783 -18.949 -0.479 4.234
28 HA3 GLY 783 HA1 GLY 783 -18.833 -2.223 4.415
29 H VAL 784 HN VAL 784 -21.059 0.474 4.970
30 HA VAL 784 HA VAL 784 -23.390 -1.189 4.885
31 HB VAL 784 HB VAL 784 -23.161 1.815 4.576
32 HG11 VAL 784 HG11 VAL 784 -25.523 1.849 5.234
33 HG12 VAL 784 HG12 VAL 784 -25.543 0.086 5.246
34 HG13 VAL 784 HG13 VAL 784 -25.281 0.953 3.733
35 HG21 VAL 784 HG21 VAL 784 -22.237 1.078 6.695
36 HG22 VAL 784 HG22 VAL 784 -23.690 0.135 7.026
37 HG23 VAL 784 HG23 VAL 784 -23.778 1.896 6.956
38 H ASP 785 HN ASP 785 -22.121 1.311 2.704
39 HA ASP 785 HA ASP 785 -23.315 -0.155 0.452
40 HB2 ASP 785 HB2 ASP 785 -23.059 2.828 0.853
41 HB3 ASP 785 HB1 ASP 785 -23.366 2.104 -0.721
42 H SER 786 HN SER 786 -21.402 -1.327 0.134
43 HA SER 786 HA SER 786 -19.062 0.233 -0.687
44 HB2 SER 786 HB2 SER 786 -19.374 -2.753 -0.278
45 HB3 SER 786 HB1 SER 786 -17.865 -1.917 -0.647
46 HG SER 786 HG SER 786 -17.987 -2.252 1.570
47 HA PRO 787 HA PRO 787 -20.482 -0.291 -4.890
48 HB2 PRO 787 HB2 PRO 787 -17.887 0.884 -5.603
49 HB3 PRO 787 HB1 PRO 787 -19.515 1.501 -5.897
50 HG2 PRO 787 HG2 PRO 787 -17.862 2.647 -4.106
51 HG3 PRO 787 HG1 PRO 787 -19.618 2.585 -3.865
52 HD2 PRO 787 HD2 PRO 787 -17.478 0.869 -2.656
53 HD3 PRO 787 HD1 PRO 787 -18.922 1.574 -1.895
54 H SER 788 HN SER 788 -17.428 -1.338 -3.596
55 HA SER 788 HA SER 788 -17.308 -3.470 -5.615
56 HB2 SER 788 HB2 SER 788 -14.962 -1.910 -4.493
57 HB3 SER 788 HB1 SER 788 -14.840 -3.294 -5.583
58 HG SER 788 HG SER 788 -16.048 -2.056 -7.122
59 H ALA 789 HN ALA 789 -16.515 -5.455 -4.876
60 HA ALA 789 HA ALA 789 -16.969 -5.863 -2.028
61 HB1 ALA 789 HB1 ALA 789 -16.602 -7.861 -4.260
62 HB2 ALA 789 HB2 ALA 789 -18.143 -7.295 -3.613
63 HB3 ALA 789 HB3 ALA 789 -17.056 -8.240 -2.597
64 H GLU 790 HN GLU 790 -14.379 -5.885 -4.334
65 HA GLU 790 HA GLU 790 -12.541 -7.276 -2.585
66 HB2 GLU 790 HB2 GLU 790 -12.145 -5.825 -5.205
67 HB3 GLU 790 HB1 GLU 790 -10.861 -6.656 -4.339
68 HG2 GLU 790 HG2 GLU 790 -11.995 -8.766 -4.590
69 HG3 GLU 790 HG1 GLU 790 -13.380 -7.969 -5.336
70 H LEU 791 HN LEU 791 -12.476 -4.035 -4.059
71 HA LEU 791 HA LEU 791 -10.820 -3.080 -1.885
72 HB2 LEU 791 HB2 LEU 791 -10.898 -0.896 -3.159
73 HB3 LEU 791 HB1 LEU 791 -10.088 -2.239 -3.940
74 HG LEU 791 HG LEU 791 -12.939 -1.887 -4.645
75 HD11 LEU 791 HD11 LEU 791 -12.213 0.434 -4.520
76 HD12 LEU 791 HD12 LEU 791 -12.438 -0.061 -6.199
77 HD13 LEU 791 HD13 LEU 791 -10.813 0.060 -5.525
78 HD21 LEU 791 HD21 LEU 791 -11.454 -3.584 -5.673
79 HD22 LEU 791 HD22 LEU 791 -10.443 -2.281 -6.295
80 HD23 LEU 791 HD23 LEU 791 -12.107 -2.445 -6.849
81 H ASP 792 HN ASP 792 -12.653 -3.655 -0.462
82 HA ASP 792 HA ASP 792 -15.107 -2.326 -0.422
83 HB2 ASP 792 HB2 ASP 792 -14.698 -4.355 0.858
84 HB3 ASP 792 HB1 ASP 792 -13.520 -3.516 1.861
85 H LYS 793 HN LYS 793 -15.016 -0.169 -0.669
86 HA LYS 793 HA LYS 793 -15.241 1.949 0.078
87 HB2 LYS 793 HB2 LYS 793 -15.924 0.902 2.227
88 HB3 LYS 793 HB1 LYS 793 -14.247 0.951 2.749
89 HG2 LYS 793 HG2 LYS 793 -14.251 3.358 2.690
90 HG3 LYS 793 HG1 LYS 793 -15.883 3.371 2.016
91 HD2 LYS 793 HD2 LYS 793 -16.707 2.270 4.063
92 HD3 LYS 793 HD1 LYS 793 -15.074 2.332 4.732
93 HE2 LYS 793 HE2 LYS 793 -16.424 4.152 5.601
94 HE3 LYS 793 HE1 LYS 793 -15.116 4.774 4.595
95 HZ1 LYS 793 HZ1 LYS 793 -17.252 5.875 4.187
96 HZ2 LYS 793 HZ2 LYS 793 -17.921 4.399 3.683
97 HZ3 LYS 793 HZ3 LYS 793 -16.658 5.104 2.796
98 H LYS 794 HN LYS 794 -12.334 0.746 1.767
99 HA LYS 794 HA LYS 794 -10.964 3.185 1.204
100 HB2 LYS 794 HB2 LYS 794 -9.003 2.019 2.294
101 HB3 LYS 794 HB1 LYS 794 -10.428 2.237 3.299
102 HG2 LYS 794 HG2 LYS 794 -11.052 -0.110 2.907
103 HG3 LYS 794 HG1 LYS 794 -9.599 -0.316 1.924
104 HD2 LYS 794 HD2 LYS 794 -8.185 0.149 3.819
105 HD3 LYS 794 HD1 LYS 794 -9.582 0.551 4.816
106 HE2 LYS 794 HE2 LYS 794 -10.378 -1.759 4.623
107 HE3 LYS 794 HE1 LYS 794 -8.976 -2.157 3.631
108 HZ1 LYS 794 HZ1 LYS 794 -8.776 -2.760 6.031
109 HZ2 LYS 794 HZ2 LYS 794 -8.762 -1.108 6.402
110 HZ3 LYS 794 HZ3 LYS 794 -7.523 -1.774 5.454
111 H ALA 795 HN ALA 795 -9.534 3.599 -0.264
112 HA ALA 795 HA ALA 795 -8.206 1.628 -1.866
113 HB1 ALA 795 HB1 ALA 795 -10.368 3.275 -3.179
114 HB2 ALA 795 HB2 ALA 795 -10.434 1.538 -2.877
115 HB3 ALA 795 HB3 ALA 795 -9.242 2.195 -3.999
116 H ASN 796 HN ASN 796 -7.665 4.048 -0.242
117 HA ASN 796 HA ASN 796 -6.589 5.944 -2.113
118 HB2 ASN 796 HB2 ASN 796 -5.346 6.775 0.004
119 HB3 ASN 796 HB1 ASN 796 -7.088 6.968 -0.075
120 HD21 ASN 796 HD21 ASN 796 -5.430 3.930 0.655
121 HD22 ASN 796 HD22 ASN 796 -5.983 3.834 2.293
122 H LEU 797 HN LEU 797 -5.092 5.069 -3.482
123 HA LEU 797 HA LEU 797 -3.146 3.229 -2.337
124 HB2 LEU 797 HB2 LEU 797 -3.774 3.715 -5.230
125 HB3 LEU 797 HB1 LEU 797 -2.819 2.407 -4.571
126 HG LEU 797 HG LEU 797 -5.796 2.780 -4.209
127 HD11 LEU 797 HD11 LEU 797 -4.258 0.765 -5.842
128 HD12 LEU 797 HD12 LEU 797 -5.152 2.141 -6.487
129 HD13 LEU 797 HD13 LEU 797 -6.012 0.843 -5.657
130 HD21 LEU 797 HD21 LEU 797 -3.990 0.532 -3.329
131 HD22 LEU 797 HD22 LEU 797 -5.749 0.553 -3.202
132 HD23 LEU 797 HD23 LEU 797 -4.783 1.703 -2.276
133 H LEU 798 HN LEU 798 -1.047 3.435 -2.793
134 HA LEU 798 HA LEU 798 0.059 5.589 -4.381
135 HB2 LEU 798 HB2 LEU 798 1.384 6.579 -2.713
136 HB3 LEU 798 HB1 LEU 798 -0.185 6.443 -1.949
137 HG LEU 798 HG LEU 798 2.167 4.607 -1.487
138 HD11 LEU 798 HD11 LEU 798 0.893 6.695 0.272
139 HD12 LEU 798 HD12 LEU 798 2.477 6.799 -0.498
140 HD13 LEU 798 HD13 LEU 798 2.183 5.589 0.750
141 HD21 LEU 798 HD21 LEU 798 -0.582 4.631 -0.271
142 HD22 LEU 798 HD22 LEU 798 0.771 3.644 0.287
143 HD23 LEU 798 HD23 LEU 798 0.103 3.398 -1.330
144 H LYS 799 HN LYS 799 2.728 5.072 -4.027
145 HA LYS 799 HA LYS 799 2.797 2.196 -3.921
146 HB2 LYS 799 HB2 LYS 799 3.415 1.777 -6.159
147 HB3 LYS 799 HB1 LYS 799 2.047 2.879 -6.215
148 HG2 LYS 799 HG2 LYS 799 4.892 3.814 -6.442
149 HG3 LYS 799 HG1 LYS 799 3.936 3.320 -7.836
150 HD2 LYS 799 HD2 LYS 799 2.258 5.040 -7.249
151 HD3 LYS 799 HD1 LYS 799 3.296 5.557 -5.920
152 HE2 LYS 799 HE2 LYS 799 4.095 5.543 -8.825
153 HE3 LYS 799 HE1 LYS 799 3.534 6.964 -7.946
154 HZ1 LYS 799 HZ1 LYS 799 5.424 6.744 -6.454
155 HZ2 LYS 799 HZ2 LYS 799 5.943 6.884 -8.062
156 HZ3 LYS 799 HZ3 LYS 799 5.964 5.372 -7.296
157 H CYS 800 HN CYS 800 4.544 1.235 -3.616
158 HA CYS 800 HA CYS 800 6.637 1.985 -2.216
159 HB2 CYS 800 HB2 CYS 800 5.725 -0.237 -3.123
160 HB3 CYS 800 HB1 CYS 800 6.812 0.014 -4.473
161 H GLU 801 HN GLU 801 7.854 3.780 -2.647
162 HA GLU 801 HA GLU 801 8.851 4.669 -5.101
163 HB2 GLU 801 HB2 GLU 801 8.751 5.950 -2.962
164 HB3 GLU 801 HB1 GLU 801 10.097 4.993 -2.366
165 HG2 GLU 801 HG2 GLU 801 11.529 5.882 -4.117
166 HG3 GLU 801 HG1 GLU 801 10.177 6.814 -4.763
167 H TYR 802 HN TYR 802 9.569 1.763 -3.785
168 HA TYR 802 HA TYR 802 12.330 1.796 -4.756
169 HB2 TYR 802 HB2 TYR 802 12.014 0.944 -2.444
170 HB3 TYR 802 HB1 TYR 802 10.934 -0.300 -3.064
171 HD1 TYR 802 HD2 TYR 802 14.425 0.787 -2.774
172 HD2 TYR 802 HD1 TYR 802 11.807 -2.224 -4.251
173 HE1 TYR 802 HE2 TYR 802 16.343 -0.715 -3.102
174 HE2 TYR 802 HE1 TYR 802 13.718 -3.731 -4.583
175 HH TYR 802 HH TYR 802 16.740 -3.179 -3.226
176 H CYS 803 HN CYS 803 9.337 -0.133 -4.997
177 HA CYS 803 HA CYS 803 10.368 -1.162 -7.565
178 HB2 CYS 803 HB2 CYS 803 8.782 -3.093 -7.148
179 HB3 CYS 803 HB1 CYS 803 10.150 -2.986 -6.042
180 H GLY 804 HN GLY 804 7.564 0.289 -6.034
181 HA2 GLY 804 HA2 GLY 804 6.302 1.876 -7.257
182 HA3 GLY 804 HA1 GLY 804 6.746 1.050 -8.738
183 H LYS 805 HN LYS 805 5.574 -0.852 -6.059
184 HA LYS 805 HA LYS 805 3.316 -1.637 -7.681
185 HB2 LYS 805 HB2 LYS 805 4.221 -2.604 -4.960
186 HB3 LYS 805 HB1 LYS 805 2.850 -3.256 -5.848
187 HG2 LYS 805 HG2 LYS 805 5.707 -3.279 -6.802
188 HG3 LYS 805 HG1 LYS 805 4.836 -4.652 -6.113
189 HD2 LYS 805 HD2 LYS 805 3.825 -3.176 -8.530
190 HD3 LYS 805 HD1 LYS 805 4.982 -4.499 -8.667
191 HE2 LYS 805 HE2 LYS 805 2.415 -4.835 -7.153
192 HE3 LYS 805 HE1 LYS 805 2.468 -5.023 -8.905
193 HZ1 LYS 805 HZ1 LYS 805 4.024 -6.779 -8.705
194 HZ2 LYS 805 HZ2 LYS 805 2.758 -7.125 -7.634
195 HZ3 LYS 805 HZ3 LYS 805 4.230 -6.520 -7.044
196 H TYR 806 HN TYR 806 1.254 -1.056 -7.389
197 HA TYR 806 HA TYR 806 0.710 1.175 -5.585
198 HB2 TYR 806 HB2 TYR 806 -1.109 -0.169 -7.596
199 HB3 TYR 806 HB1 TYR 806 -1.393 1.365 -6.785
200 HD1 TYR 806 HD2 TYR 806 -0.180 3.373 -7.468
201 HD2 TYR 806 HD1 TYR 806 0.413 -0.344 -9.448
202 HE1 TYR 806 HE2 TYR 806 0.895 4.547 -9.341
203 HE2 TYR 806 HE1 TYR 806 1.489 0.819 -11.323
204 HH TYR 806 HH TYR 806 1.499 3.036 -12.330
205 H ALA 807 HN ALA 807 -0.462 1.088 -3.826
206 HA ALA 807 HA ALA 807 -2.064 -1.182 -3.094
207 HB1 ALA 807 HB1 ALA 807 -0.615 -2.008 -1.322
208 HB2 ALA 807 HB2 ALA 807 0.605 -0.801 -1.731
209 HB3 ALA 807 HB3 ALA 807 0.222 -2.088 -2.875
210 HA PRO 808 HA PRO 808 -3.806 1.738 -0.308
211 HB2 PRO 808 HB2 PRO 808 -3.951 -0.185 1.895
212 HB3 PRO 808 HB1 PRO 808 -5.256 0.526 0.940
213 HG2 PRO 808 HG2 PRO 808 -4.607 -2.061 0.706
214 HG3 PRO 808 HG1 PRO 808 -5.122 -1.107 -0.699
215 HD2 PRO 808 HD2 PRO 808 -2.330 -1.818 0.195
216 HD3 PRO 808 HD1 PRO 808 -3.054 -1.945 -1.439
217 H ALA 809 HN ALA 809 -2.989 3.304 0.860
218 HA ALA 809 HA ALA 809 -0.554 3.575 1.980
219 HB1 ALA 809 HB1 ALA 809 -2.171 5.385 1.735
220 HB2 ALA 809 HB2 ALA 809 -1.430 5.387 3.335
221 HB3 ALA 809 HB3 ALA 809 -3.069 4.770 3.124
222 H GLU 810 HN GLU 810 -3.125 1.736 3.342
223 HA GLU 810 HA GLU 810 -2.584 1.754 6.067
224 HB2 GLU 810 HB2 GLU 810 -4.637 0.884 5.209
225 HB3 GLU 810 HB1 GLU 810 -3.793 -0.357 4.298
226 HG2 GLU 810 HG2 GLU 810 -3.268 -1.573 6.226
227 HG3 GLU 810 HG1 GLU 810 -3.653 -0.219 7.285
228 H GLN 811 HN GLN 811 -1.318 -0.658 3.682
229 HA GLN 811 HA GLN 811 0.288 -1.756 5.863
230 HB2 GLN 811 HB2 GLN 811 0.717 -3.645 4.588
231 HB3 GLN 811 HB1 GLN 811 -0.940 -3.244 4.172
232 HG2 GLN 811 HG2 GLN 811 1.461 -2.510 2.523
233 HG3 GLN 811 HG1 GLN 811 0.434 -3.919 2.246
234 HE21 GLN 811 HE21 GLN 811 1.039 -1.481 0.686
235 HE22 GLN 811 HE22 GLN 811 -0.499 -0.804 0.296
236 H PHE 812 HN PHE 812 0.715 0.902 4.722
237 HA PHE 812 HA PHE 812 3.509 0.581 3.881
238 HB2 PHE 812 HB2 PHE 812 1.552 2.840 3.651
239 HB3 PHE 812 HB1 PHE 812 3.267 3.220 3.767
240 HD1 PHE 812 HD1 PHE 812 1.107 0.805 1.895
241 HD2 PHE 812 HD2 PHE 812 4.330 3.578 1.787
242 HE1 PHE 812 HE1 PHE 812 1.365 0.407 -0.519
243 HE2 PHE 812 HE2 PHE 812 4.596 3.184 -0.626
244 HZ PHE 812 HZ PHE 812 3.111 1.596 -1.783
245 H ARG 813 HN ARG 813 3.199 -0.343 6.193
246 HA ARG 813 HA ARG 813 3.422 1.438 8.412
247 HB2 ARG 813 HB2 ARG 813 4.154 -1.476 8.098
248 HB3 ARG 813 HB1 ARG 813 4.124 -0.610 9.626
249 HG2 ARG 813 HG2 ARG 813 1.751 -0.273 9.445
250 HG3 ARG 813 HG1 ARG 813 1.738 -0.990 7.833
251 HD2 ARG 813 HD2 ARG 813 2.624 -2.452 10.314
252 HD3 ARG 813 HD1 ARG 813 0.983 -2.516 9.672
253 HE ARG 813 HE ARG 813 2.009 -3.466 7.612
254 HH11 ARG 813 HH11 ARG 813 3.743 -3.689 10.648
255 HH12 ARG 813 HH12 ARG 813 4.538 -5.181 10.227
256 HH21 ARG 813 HH21 ARG 813 3.042 -5.407 7.049
257 HH22 ARG 813 HH22 ARG 813 4.126 -6.168 8.180
258 H GLY 814 HN GLY 814 5.206 2.032 9.591
259 HA2 GLY 814 HA2 GLY 814 7.462 2.248 10.135
260 HA3 GLY 814 HA1 GLY 814 7.865 1.170 8.803
261 H SER 815 HN SER 815 7.400 2.111 6.607
262 HA SER 815 HA SER 815 8.059 4.978 6.532
263 HB2 SER 815 HB2 SER 815 9.123 2.845 4.659
264 HB3 SER 815 HB1 SER 815 9.525 4.561 4.628
265 HG SER 815 HG SER 815 10.046 3.775 7.067
266 H LYS 816 HN LYS 816 6.401 6.032 5.671
267 HA LYS 816 HA LYS 816 4.466 4.764 3.951
268 HB2 LYS 816 HB2 LYS 816 4.006 6.621 5.611
269 HB3 LYS 816 HB1 LYS 816 4.805 7.721 4.501
270 HG2 LYS 816 HG2 LYS 816 2.426 7.887 4.219
271 HG3 LYS 816 HG1 LYS 816 3.127 7.148 2.780
272 HD2 LYS 816 HD2 LYS 816 1.071 6.014 3.454
273 HD3 LYS 816 HD1 LYS 816 2.464 4.941 3.578
274 HE2 LYS 816 HE2 LYS 816 1.047 4.644 5.507
275 HE3 LYS 816 HE1 LYS 816 2.560 5.400 6.006
276 HZ1 LYS 816 HZ1 LYS 816 0.010 6.859 5.516
277 HZ2 LYS 816 HZ2 LYS 816 1.456 7.528 6.110
278 HZ3 LYS 816 HZ3 LYS 816 0.593 6.405 7.043
279 H ARG 817 HN ARG 817 6.574 4.186 2.694
280 HA ARG 817 HA ARG 817 7.031 6.010 0.412
281 HB2 ARG 817 HB2 ARG 817 9.157 4.646 2.062
282 HB3 ARG 817 HB1 ARG 817 9.405 5.635 0.633
283 HG2 ARG 817 HG2 ARG 817 8.684 7.606 1.814
284 HG3 ARG 817 HG1 ARG 817 8.270 6.641 3.234
285 HD2 ARG 817 HD2 ARG 817 10.618 5.974 3.456
286 HD3 ARG 817 HD1 ARG 817 11.026 6.946 2.044
287 HE ARG 817 HE ARG 817 9.740 8.530 4.017
288 HH11 ARG 817 HH11 ARG 817 12.784 6.991 3.245
289 HH12 ARG 817 HH12 ARG 817 13.734 8.109 4.171
290 HH21 ARG 817 HH21 ARG 817 10.997 10.016 5.241
291 HH22 ARG 817 HH22 ARG 817 12.723 9.808 5.314
292 H PHE 818 HN PHE 818 7.090 2.824 1.927
293 HA PHE 818 HA PHE 818 7.459 1.554 -0.704
294 HB2 PHE 818 HB2 PHE 818 8.770 0.538 1.789
295 HB3 PHE 818 HB1 PHE 818 9.074 0.050 0.131
296 HD1 PHE 818 HD2 PHE 818 9.989 1.894 -1.448
297 HD2 PHE 818 HD1 PHE 818 10.184 2.072 2.803
298 HE1 PHE 818 HE2 PHE 818 11.848 3.494 -1.603
299 HE2 PHE 818 HE1 PHE 818 12.046 3.673 2.650
300 HZ PHE 818 HZ PHE 818 12.814 4.458 0.459
301 H CYS 819 HN CYS 819 6.409 -0.569 -0.816
302 HA CYS 819 HA CYS 819 4.115 -0.641 0.904
303 HB2 CYS 819 HB2 CYS 819 3.714 -2.796 -0.497
304 HB3 CYS 819 HB1 CYS 819 3.513 -1.219 -1.234
305 H SER 820 HN SER 820 5.062 -1.180 3.030
306 HA SER 820 HA SER 820 4.461 -2.812 4.486
307 HB2 SER 820 HB2 SER 820 3.665 -4.326 2.691
308 HB3 SER 820 HB1 SER 820 5.325 -4.853 2.419
309 HG SER 820 HG SER 820 4.301 -6.328 3.755
310 H MET 821 HN MET 821 6.285 -5.212 4.728
311 HA MET 821 HA MET 821 8.364 -3.749 6.114
312 HB2 MET 821 HB2 MET 821 7.545 -6.627 6.052
313 HB3 MET 821 HB1 MET 821 8.986 -6.080 6.899
314 HG2 MET 821 HG2 MET 821 6.427 -4.699 7.431
315 HG3 MET 821 HG1 MET 821 6.664 -6.305 8.113
316 HE1 MET 821 HE1 MET 821 9.203 -3.124 7.678
317 HE2 MET 821 HE2 MET 821 8.900 -2.447 9.277
318 HE3 MET 821 HE3 MET 821 7.582 -2.587 8.115
319 H THR 822 HN THR 822 8.424 -6.588 3.967
320 HA THR 822 HA THR 822 11.100 -6.859 3.377
321 HB THR 822 HB THR 822 8.930 -7.023 1.295
322 HG1 THR 822 HG1 THR 822 9.618 -8.930 3.320
323 HG21 THR 822 HG21 THR 822 10.288 -8.888 0.459
324 HG22 THR 822 HG22 THR 822 11.460 -8.614 1.747
325 HG23 THR 822 HG23 THR 822 11.216 -7.389 0.504
326 H CYS 823 HN CYS 823 8.919 -4.500 1.872
327 HA CYS 823 HA CYS 823 10.921 -3.616 0.035
328 HB2 CYS 823 HB2 CYS 823 8.271 -2.458 0.833
329 HB3 CYS 823 HB1 CYS 823 9.311 -1.789 -0.429
330 H ALA 824 HN ALA 824 9.659 -2.353 3.107
331 HA ALA 824 HA ALA 824 11.249 -0.052 3.252
332 HB1 ALA 824 HB1 ALA 824 9.415 -0.485 4.799
333 HB2 ALA 824 HB2 ALA 824 10.921 -0.202 5.673
334 HB3 ALA 824 HB3 ALA 824 10.307 -1.843 5.487
335 H LYS 825 HN LYS 825 11.832 -3.388 4.343
336 HA LYS 825 HA LYS 825 14.339 -3.045 5.404
337 HB2 LYS 825 HB2 LYS 825 13.306 -5.480 3.948
338 HB3 LYS 825 HB1 LYS 825 14.649 -5.456 5.078
339 HG2 LYS 825 HG2 LYS 825 11.754 -4.912 5.692
340 HG3 LYS 825 HG1 LYS 825 12.709 -6.312 6.183
341 HD2 LYS 825 HD2 LYS 825 13.259 -3.470 7.006
342 HD3 LYS 825 HD1 LYS 825 12.401 -4.656 7.989
343 HE2 LYS 825 HE2 LYS 825 14.383 -6.088 8.004
344 HE3 LYS 825 HE1 LYS 825 15.239 -4.925 6.995
345 HZ1 LYS 825 HZ1 LYS 825 14.195 -4.350 9.718
346 HZ2 LYS 825 HZ2 LYS 825 15.129 -3.312 8.755
347 HZ3 LYS 825 HZ3 LYS 825 15.806 -4.741 9.360
348 H ARG 826 HN ARG 826 13.307 -3.821 2.138
349 HA ARG 826 HA ARG 826 15.777 -4.570 1.042
350 HB2 ARG 826 HB2 ARG 826 13.397 -5.025 0.208
351 HB3 ARG 826 HB1 ARG 826 13.476 -3.436 -0.535
352 HG2 ARG 826 HG2 ARG 826 14.003 -5.147 -2.148
353 HG3 ARG 826 HG1 ARG 826 15.429 -4.156 -1.831
354 HD2 ARG 826 HD2 ARG 826 16.352 -5.850 -0.400
355 HD3 ARG 826 HD1 ARG 826 14.875 -6.806 -0.509
356 HE ARG 826 HE ARG 826 15.749 -6.544 -3.099
357 HH11 ARG 826 HH11 ARG 826 17.160 -7.696 -0.116
358 HH12 ARG 826 HH12 ARG 826 18.065 -8.973 -0.875
359 HH21 ARG 826 HH21 ARG 826 16.949 -8.221 -4.118
360 HH22 ARG 826 HH22 ARG 826 17.958 -9.252 -3.159
361 H TYR 827 HN TYR 827 14.248 -1.504 1.532
362 HA TYR 827 HA TYR 827 15.445 0.119 -0.301
363 HB2 TYR 827 HB2 TYR 827 13.679 0.780 1.248
364 HB3 TYR 827 HB1 TYR 827 14.841 0.788 2.574
365 HD1 TYR 827 HD1 TYR 827 15.016 2.111 -0.915
366 HD2 TYR 827 HD2 TYR 827 15.155 2.993 3.249
367 HE1 TYR 827 HE1 TYR 827 15.515 4.459 -1.434
368 HE2 TYR 827 HE2 TYR 827 15.659 5.348 2.735
369 HH TYR 827 HH TYR 827 15.309 6.637 -0.409
370 H ASN 828 HN ASN 828 16.775 -1.421 2.501
371 HA ASN 828 HA ASN 828 19.415 -0.398 2.077
372 HB2 ASN 828 HB2 ASN 828 19.683 0.580 4.341
373 HB3 ASN 828 HB1 ASN 828 18.557 1.480 3.342
374 HD21 ASN 828 HD21 ASN 828 16.309 -0.274 3.738
375 HD22 ASN 828 HD22 ASN 828 15.785 -0.071 5.367
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -17.329 2.684 13.168
2 H2 GLY 1 HT2 GLY 1 -18.474 3.094 11.981
3 H3 GLY 1 HT3 GLY 1 -16.824 3.354 11.693
4 HA2 GLY 1 HA1 GLY 1 -18.123 0.709 12.040
5 HA3 GLY 1 HA2 GLY 1 -17.612 1.402 10.507
6 H THR 2 HN THR 2 -16.727 -1.090 11.605
7 HA THR 2 HA THR 2 -14.111 -0.753 12.713
8 HB THR 2 HB THR 2 -15.320 -3.201 11.403
9 HG1 THR 2 HG1 THR 2 -15.405 -2.188 14.069
10 HG21 THR 2 HG21 THR 2 -13.699 -4.423 12.804
11 HG22 THR 2 HG22 THR 2 -13.026 -2.886 13.346
12 HG23 THR 2 HG23 THR 2 -12.897 -3.357 11.652
13 H ARG 3 HN ARG 3 -12.594 0.204 11.536
14 HA ARG 3 HA ARG 3 -11.106 0.677 9.898
15 HB2 ARG 3 HB2 ARG 3 -12.159 -1.789 8.503
16 HB3 ARG 3 HB1 ARG 3 -10.718 -0.892 8.052
17 HG2 ARG 3 HG2 ARG 3 -9.781 -1.452 10.314
18 HG3 ARG 3 HG1 ARG 3 -11.164 -2.529 10.533
19 HD2 ARG 3 HD2 ARG 3 -10.512 -3.670 8.406
20 HD3 ARG 3 HD1 ARG 3 -9.050 -2.687 8.390
21 HE ARG 3 HE ARG 3 -9.629 -4.445 10.680
22 HH11 ARG 3 HH11 ARG 3 -7.559 -3.512 7.996
23 HH12 ARG 3 HH12 ARG 3 -6.298 -4.631 8.436
24 HH21 ARG 3 HH21 ARG 3 -7.971 -5.925 11.215
25 HH22 ARG 3 HH22 ARG 3 -6.530 -5.987 10.246
26 H GLY 783 HN GLY 783 -13.851 -0.701 8.075
27 HA2 GLY 783 HA2 GLY 783 -15.487 0.620 6.954
28 HA3 GLY 783 HA1 GLY 783 -14.368 1.974 6.981
29 H VAL 784 HN VAL 784 -15.036 -1.145 5.495
30 HA VAL 784 HA VAL 784 -13.621 -0.167 3.097
31 HB VAL 784 HB VAL 784 -12.384 -2.048 4.090
32 HG11 VAL 784 HG11 VAL 784 -14.907 -3.633 3.634
33 HG12 VAL 784 HG12 VAL 784 -14.189 -3.225 5.191
34 HG13 VAL 784 HG13 VAL 784 -13.343 -4.310 4.087
35 HG21 VAL 784 HG21 VAL 784 -12.297 -1.739 1.691
36 HG22 VAL 784 HG22 VAL 784 -13.751 -2.715 1.488
37 HG23 VAL 784 HG23 VAL 784 -12.266 -3.460 2.079
38 H ASP 785 HN ASP 785 -14.808 0.007 1.337
39 HA ASP 785 HA ASP 785 -16.609 0.022 -0.054
40 HB2 ASP 785 HB2 ASP 785 -15.685 -2.375 -0.214
41 HB3 ASP 785 HB1 ASP 785 -17.055 -2.839 0.792
42 H SER 786 HN SER 786 -17.313 1.264 2.140
43 HA SER 786 HA SER 786 -19.601 0.056 3.415
44 HB2 SER 786 HB2 SER 786 -18.487 2.859 3.674
45 HB3 SER 786 HB1 SER 786 -19.640 2.089 4.761
46 HG SER 786 HG SER 786 -17.629 0.441 4.634
47 HA PRO 787 HA PRO 787 -22.592 1.822 0.616
48 HB2 PRO 787 HB2 PRO 787 -24.596 1.475 2.699
49 HB3 PRO 787 HB1 PRO 787 -24.415 0.595 1.181
50 HG2 PRO 787 HG2 PRO 787 -23.965 -0.541 3.604
51 HG3 PRO 787 HG1 PRO 787 -23.115 -1.040 2.131
52 HD2 PRO 787 HD2 PRO 787 -22.181 0.745 4.348
53 HD3 PRO 787 HD1 PRO 787 -21.295 -0.525 3.475
54 H SER 788 HN SER 788 -21.112 3.737 1.675
55 HA SER 788 HA SER 788 -22.897 5.926 2.108
56 HB2 SER 788 HB2 SER 788 -22.769 4.951 4.419
57 HB3 SER 788 HB1 SER 788 -21.020 5.161 4.374
58 HG SER 788 HG SER 788 -23.052 7.111 4.508
59 H ALA 789 HN ALA 789 -21.455 7.961 2.528
60 HA ALA 789 HA ALA 789 -19.364 7.936 0.559
61 HB1 ALA 789 HB1 ALA 789 -19.206 10.317 0.966
62 HB2 ALA 789 HB2 ALA 789 -20.186 10.162 2.424
63 HB3 ALA 789 HB3 ALA 789 -20.902 9.849 0.843
64 H GLU 790 HN GLU 790 -18.441 6.157 2.188
65 HA GLU 790 HA GLU 790 -16.429 7.493 3.885
66 HB2 GLU 790 HB2 GLU 790 -17.781 4.831 4.221
67 HB3 GLU 790 HB1 GLU 790 -16.341 5.300 5.108
68 HG2 GLU 790 HG2 GLU 790 -17.644 7.273 5.966
69 HG3 GLU 790 HG1 GLU 790 -19.075 6.547 5.236
70 H LEU 791 HN LEU 791 -16.107 6.977 1.081
71 HA LEU 791 HA LEU 791 -14.462 4.580 1.076
72 HB2 LEU 791 HB2 LEU 791 -15.255 6.384 -1.219
73 HB3 LEU 791 HB1 LEU 791 -14.363 4.883 -1.372
74 HG LEU 791 HG LEU 791 -17.191 5.113 -0.340
75 HD11 LEU 791 HD11 LEU 791 -16.175 4.129 -2.998
76 HD12 LEU 791 HD12 LEU 791 -17.029 5.646 -2.717
77 HD13 LEU 791 HD13 LEU 791 -17.850 4.108 -2.449
78 HD21 LEU 791 HD21 LEU 791 -15.979 3.219 0.612
79 HD22 LEU 791 HD22 LEU 791 -15.527 2.687 -1.008
80 HD23 LEU 791 HD23 LEU 791 -17.221 2.681 -0.518
81 H ASP 792 HN ASP 792 -13.796 7.155 2.392
82 HA ASP 792 HA ASP 792 -11.272 7.732 0.996
83 HB2 ASP 792 HB2 ASP 792 -11.364 9.996 1.729
84 HB3 ASP 792 HB1 ASP 792 -12.960 9.628 1.084
85 H LYS 793 HN LYS 793 -12.467 6.092 3.454
86 HA LYS 793 HA LYS 793 -10.777 6.830 5.630
87 HB2 LYS 793 HB2 LYS 793 -11.890 4.063 5.206
88 HB3 LYS 793 HB1 LYS 793 -11.590 4.898 6.723
89 HG2 LYS 793 HG2 LYS 793 -13.440 6.426 6.239
90 HG3 LYS 793 HG1 LYS 793 -13.751 5.559 4.735
91 HD2 LYS 793 HD2 LYS 793 -15.273 4.564 6.140
92 HD3 LYS 793 HD1 LYS 793 -13.896 3.476 6.315
93 HE2 LYS 793 HE2 LYS 793 -14.732 3.918 8.497
94 HE3 LYS 793 HE1 LYS 793 -13.219 4.807 8.324
95 HZ1 LYS 793 HZ1 LYS 793 -15.957 5.929 8.080
96 HZ2 LYS 793 HZ2 LYS 793 -14.529 6.801 7.806
97 HZ3 LYS 793 HZ3 LYS 793 -14.872 6.199 9.351
98 H LYS 794 HN LYS 794 -10.639 4.708 2.914
99 HA LYS 794 HA LYS 794 -7.809 4.672 2.869
100 HB2 LYS 794 HB2 LYS 794 -7.504 2.233 3.033
101 HB3 LYS 794 HB1 LYS 794 -8.129 2.905 4.524
102 HG2 LYS 794 HG2 LYS 794 -10.282 2.024 4.151
103 HG3 LYS 794 HG1 LYS 794 -9.908 1.633 2.467
104 HD2 LYS 794 HD2 LYS 794 -8.429 -0.101 3.093
105 HD3 LYS 794 HD1 LYS 794 -8.399 0.431 4.775
106 HE2 LYS 794 HE2 LYS 794 -10.817 -0.663 3.355
107 HE3 LYS 794 HE1 LYS 794 -9.757 -1.606 4.400
108 HZ1 LYS 794 HZ1 LYS 794 -11.591 0.584 5.127
109 HZ2 LYS 794 HZ2 LYS 794 -10.278 0.200 6.122
110 HZ3 LYS 794 HZ3 LYS 794 -11.464 -0.971 5.795
111 H ALA 795 HN ALA 795 -7.783 2.221 1.180
112 HA ALA 795 HA ALA 795 -8.204 1.507 -0.928
113 HB1 ALA 795 HB1 ALA 795 -10.388 3.583 -1.050
114 HB2 ALA 795 HB2 ALA 795 -10.596 1.893 -0.590
115 HB3 ALA 795 HB3 ALA 795 -10.100 2.305 -2.231
116 H ASN 796 HN ASN 796 -7.342 4.575 -0.004
117 HA ASN 796 HA ASN 796 -6.531 5.571 -2.554
118 HB2 ASN 796 HB2 ASN 796 -5.049 7.073 -0.995
119 HB3 ASN 796 HB1 ASN 796 -6.787 7.328 -1.074
120 HD21 ASN 796 HD21 ASN 796 -5.044 4.779 0.688
121 HD22 ASN 796 HD22 ASN 796 -5.567 5.292 2.264
122 H LEU 797 HN LEU 797 -4.980 4.674 -3.693
123 HA LEU 797 HA LEU 797 -2.951 3.083 -2.330
124 HB2 LEU 797 HB2 LEU 797 -3.448 3.257 -5.280
125 HB3 LEU 797 HB1 LEU 797 -2.606 1.999 -4.408
126 HG LEU 797 HG LEU 797 -5.575 2.527 -4.308
127 HD11 LEU 797 HD11 LEU 797 -4.904 1.610 -6.442
128 HD12 LEU 797 HD12 LEU 797 -5.761 0.392 -5.499
129 HD13 LEU 797 HD13 LEU 797 -4.004 0.326 -5.635
130 HD21 LEU 797 HD21 LEU 797 -4.781 1.645 -2.199
131 HD22 LEU 797 HD22 LEU 797 -3.940 0.341 -3.037
132 HD23 LEU 797 HD23 LEU 797 -5.702 0.419 -3.070
133 H LEU 798 HN LEU 798 -0.826 3.452 -2.568
134 HA LEU 798 HA LEU 798 0.156 5.412 -4.471
135 HB2 LEU 798 HB2 LEU 798 1.339 6.783 -2.968
136 HB3 LEU 798 HB1 LEU 798 -0.284 6.693 -2.336
137 HG LEU 798 HG LEU 798 1.127 6.642 -0.472
138 HD11 LEU 798 HD11 LEU 798 0.823 4.452 0.542
139 HD12 LEU 798 HD12 LEU 798 0.412 3.779 -1.036
140 HD13 LEU 798 HD13 LEU 798 -0.631 4.995 -0.297
141 HD21 LEU 798 HD21 LEU 798 3.008 5.012 -0.260
142 HD22 LEU 798 HD22 LEU 798 3.233 6.274 -1.472
143 HD23 LEU 798 HD23 LEU 798 2.781 4.646 -1.973
144 H LYS 799 HN LYS 799 2.490 5.113 -4.858
145 HA LYS 799 HA LYS 799 2.848 2.312 -4.248
146 HB2 LYS 799 HB2 LYS 799 3.651 1.800 -6.443
147 HB3 LYS 799 HB1 LYS 799 2.277 2.868 -6.679
148 HG2 LYS 799 HG2 LYS 799 5.179 3.681 -6.797
149 HG3 LYS 799 HG1 LYS 799 4.123 3.410 -8.183
150 HD2 LYS 799 HD2 LYS 799 2.707 5.259 -7.494
151 HD3 LYS 799 HD1 LYS 799 3.690 5.499 -6.048
152 HE2 LYS 799 HE2 LYS 799 5.641 5.953 -7.523
153 HE3 LYS 799 HE1 LYS 799 4.559 5.859 -8.914
154 HZ1 LYS 799 HZ1 LYS 799 4.368 7.805 -6.675
155 HZ2 LYS 799 HZ2 LYS 799 3.283 7.703 -7.975
156 HZ3 LYS 799 HZ3 LYS 799 4.894 8.146 -8.252
157 H CYS 800 HN CYS 800 4.502 1.436 -3.575
158 HA CYS 800 HA CYS 800 6.595 2.330 -2.227
159 HB2 CYS 800 HB2 CYS 800 5.830 0.023 -2.603
160 HB3 CYS 800 HB1 CYS 800 6.490 0.067 -4.222
161 H GLU 801 HN GLU 801 7.887 3.994 -2.781
162 HA GLU 801 HA GLU 801 8.813 4.654 -5.329
163 HB2 GLU 801 HB2 GLU 801 10.088 5.243 -2.661
164 HB3 GLU 801 HB1 GLU 801 10.425 6.080 -4.169
165 HG2 GLU 801 HG2 GLU 801 8.067 6.820 -4.237
166 HG3 GLU 801 HG1 GLU 801 7.820 6.062 -2.663
167 H TYR 802 HN TYR 802 9.593 1.820 -3.939
168 HA TYR 802 HA TYR 802 12.333 1.923 -4.982
169 HB2 TYR 802 HB2 TYR 802 11.902 1.078 -2.585
170 HB3 TYR 802 HB1 TYR 802 11.205 -0.353 -3.345
171 HD1 TYR 802 HD2 TYR 802 14.307 1.548 -2.793
172 HD2 TYR 802 HD1 TYR 802 12.592 -1.987 -4.425
173 HE1 TYR 802 HE2 TYR 802 16.548 0.554 -2.978
174 HE2 TYR 802 HE1 TYR 802 14.827 -2.993 -4.613
175 HH TYR 802 HH TYR 802 17.169 -2.278 -4.767
176 H CYS 803 HN CYS 803 9.330 0.054 -5.143
177 HA CYS 803 HA CYS 803 10.300 -1.119 -7.681
178 HB2 CYS 803 HB2 CYS 803 8.657 -2.968 -7.203
179 HB3 CYS 803 HB1 CYS 803 10.006 -2.878 -6.074
180 H GLY 804 HN GLY 804 7.589 0.533 -6.198
181 HA2 GLY 804 HA2 GLY 804 6.232 1.974 -7.495
182 HA3 GLY 804 HA1 GLY 804 6.654 1.044 -8.922
183 H LYS 805 HN LYS 805 5.664 -0.659 -6.066
184 HA LYS 805 HA LYS 805 3.353 -1.676 -7.468
185 HB2 LYS 805 HB2 LYS 805 4.559 -2.284 -4.770
186 HB3 LYS 805 HB1 LYS 805 3.072 -3.027 -5.336
187 HG2 LYS 805 HG2 LYS 805 5.697 -3.213 -6.787
188 HG3 LYS 805 HG1 LYS 805 5.115 -4.414 -5.633
189 HD2 LYS 805 HD2 LYS 805 3.090 -4.705 -7.046
190 HD3 LYS 805 HD1 LYS 805 3.803 -3.607 -8.229
191 HE2 LYS 805 HE2 LYS 805 4.155 -5.957 -8.836
192 HE3 LYS 805 HE1 LYS 805 5.680 -5.122 -8.538
193 HZ1 LYS 805 HZ1 LYS 805 5.873 -6.162 -6.424
194 HZ2 LYS 805 HZ2 LYS 805 5.507 -7.387 -7.538
195 HZ3 LYS 805 HZ3 LYS 805 4.302 -6.792 -6.504
196 H TYR 806 HN TYR 806 1.286 -1.033 -7.157
197 HA TYR 806 HA TYR 806 0.805 1.179 -5.291
198 HB2 TYR 806 HB2 TYR 806 -0.764 0.029 -7.587
199 HB3 TYR 806 HB1 TYR 806 -1.514 1.096 -6.414
200 HD1 TYR 806 HD2 TYR 806 -0.707 3.456 -6.207
201 HD2 TYR 806 HD1 TYR 806 0.621 0.861 -9.308
202 HE1 TYR 806 HE2 TYR 806 0.104 5.397 -7.481
203 HE2 TYR 806 HE1 TYR 806 1.439 2.794 -10.583
204 HH TYR 806 HH TYR 806 1.859 5.823 -9.253
205 H ALA 807 HN ALA 807 -0.189 0.980 -3.488
206 HA ALA 807 HA ALA 807 -1.924 -1.263 -2.904
207 HB1 ALA 807 HB1 ALA 807 -0.569 -2.026 -0.999
208 HB2 ALA 807 HB2 ALA 807 0.699 -0.887 -1.456
209 HB3 ALA 807 HB3 ALA 807 0.287 -2.226 -2.528
210 HA PRO 808 HA PRO 808 -3.808 1.680 -0.256
211 HB2 PRO 808 HB2 PRO 808 -4.076 -0.319 1.885
212 HB3 PRO 808 HB1 PRO 808 -5.325 0.516 0.969
213 HG2 PRO 808 HG2 PRO 808 -4.760 -2.104 0.635
214 HG3 PRO 808 HG1 PRO 808 -5.356 -1.070 -0.668
215 HD2 PRO 808 HD2 PRO 808 -2.606 -2.076 -0.153
216 HD3 PRO 808 HD1 PRO 808 -3.428 -1.779 -1.698
217 H ALA 809 HN ALA 809 -2.893 3.217 0.830
218 HA ALA 809 HA ALA 809 -0.425 3.368 1.849
219 HB1 ALA 809 HB1 ALA 809 -2.777 4.822 3.035
220 HB2 ALA 809 HB2 ALA 809 -1.953 5.255 1.537
221 HB3 ALA 809 HB3 ALA 809 -1.090 5.337 3.073
222 H GLU 810 HN GLU 810 -3.083 1.875 3.545
223 HA GLU 810 HA GLU 810 -2.181 2.042 6.219
224 HB2 GLU 810 HB2 GLU 810 -3.850 -0.088 4.888
225 HB3 GLU 810 HB1 GLU 810 -3.629 0.082 6.622
226 HG2 GLU 810 HG2 GLU 810 -4.637 2.360 6.438
227 HG3 GLU 810 HG1 GLU 810 -5.024 1.983 4.757
228 H GLN 811 HN GLN 811 -1.232 0.007 3.576
229 HA GLN 811 HA GLN 811 -0.122 -2.059 5.221
230 HB2 GLN 811 HB2 GLN 811 -0.926 -2.714 3.090
231 HB3 GLN 811 HB1 GLN 811 -0.046 -1.431 2.277
232 HG2 GLN 811 HG2 GLN 811 2.064 -2.566 2.842
233 HG3 GLN 811 HG1 GLN 811 1.130 -3.883 3.556
234 HE21 GLN 811 HE21 GLN 811 1.837 -2.163 0.597
235 HE22 GLN 811 HE22 GLN 811 1.366 -3.433 -0.480
236 H PHE 812 HN PHE 812 0.982 0.859 3.690
237 HA PHE 812 HA PHE 812 3.720 0.481 3.994
238 HB2 PHE 812 HB2 PHE 812 2.043 2.977 3.838
239 HB3 PHE 812 HB1 PHE 812 3.803 2.982 3.799
240 HD1 PHE 812 HD1 PHE 812 0.923 1.332 2.079
241 HD2 PHE 812 HD2 PHE 812 4.838 2.961 1.760
242 HE1 PHE 812 HE1 PHE 812 0.879 0.943 -0.346
243 HE2 PHE 812 HE2 PHE 812 4.804 2.570 -0.669
244 HZ PHE 812 HZ PHE 812 2.824 1.559 -1.723
245 H ARG 813 HN ARG 813 3.364 -0.525 6.238
246 HA ARG 813 HA ARG 813 3.144 1.147 8.538
247 HB2 ARG 813 HB2 ARG 813 4.512 -1.533 8.223
248 HB3 ARG 813 HB1 ARG 813 4.065 -0.778 9.743
249 HG2 ARG 813 HG2 ARG 813 2.144 -1.689 7.609
250 HG3 ARG 813 HG1 ARG 813 2.502 -2.542 9.110
251 HD2 ARG 813 HD2 ARG 813 1.660 -0.614 10.385
252 HD3 ARG 813 HD1 ARG 813 1.274 0.206 8.871
253 HE ARG 813 HE ARG 813 0.018 -2.331 8.953
254 HH11 ARG 813 HH11 ARG 813 -0.186 0.867 10.358
255 HH12 ARG 813 HH12 ARG 813 -1.903 0.781 10.624
256 HH21 ARG 813 HH21 ARG 813 -2.256 -2.453 9.332
257 HH22 ARG 813 HH22 ARG 813 -3.072 -1.082 10.033
258 H GLY 814 HN GLY 814 5.875 -0.096 6.655
259 HA2 GLY 814 HA2 GLY 814 7.796 1.388 8.230
260 HA3 GLY 814 HA1 GLY 814 8.134 0.448 6.781
261 H SER 815 HN SER 815 6.278 3.329 7.709
262 HA SER 815 HA SER 815 6.109 5.422 6.814
263 HB2 SER 815 HB2 SER 815 8.551 4.681 5.183
264 HB3 SER 815 HB1 SER 815 7.912 6.306 5.431
265 HG SER 815 HG SER 815 8.225 5.679 7.799
266 H LYS 816 HN LYS 816 5.052 6.422 5.165
267 HA LYS 816 HA LYS 816 3.698 4.675 3.313
268 HB2 LYS 816 HB2 LYS 816 3.611 7.698 3.497
269 HB3 LYS 816 HB1 LYS 816 2.454 6.666 2.671
270 HG2 LYS 816 HG2 LYS 816 2.940 6.705 5.641
271 HG3 LYS 816 HG1 LYS 816 1.603 7.498 4.808
272 HD2 LYS 816 HD2 LYS 816 0.819 5.329 4.004
273 HD3 LYS 816 HD1 LYS 816 2.165 4.534 4.821
274 HE2 LYS 816 HE2 LYS 816 0.176 4.325 6.168
275 HE3 LYS 816 HE1 LYS 816 1.320 5.396 6.975
276 HZ1 LYS 816 HZ1 LYS 816 0.052 7.295 6.074
277 HZ2 LYS 816 HZ2 LYS 816 -0.871 6.324 7.111
278 HZ3 LYS 816 HZ3 LYS 816 -1.088 6.212 5.439
279 H ARG 817 HN ARG 817 6.130 4.263 2.554
280 HA ARG 817 HA ARG 817 6.595 5.740 0.057
281 HB2 ARG 817 HB2 ARG 817 8.651 5.330 2.232
282 HB3 ARG 817 HB1 ARG 817 9.004 5.869 0.595
283 HG2 ARG 817 HG2 ARG 817 7.500 7.830 1.019
284 HG3 ARG 817 HG1 ARG 817 7.430 7.323 2.707
285 HD2 ARG 817 HD2 ARG 817 9.928 8.038 1.178
286 HD3 ARG 817 HD1 ARG 817 9.101 9.076 2.337
287 HE ARG 817 HE ARG 817 10.497 6.566 3.004
288 HH11 ARG 817 HH11 ARG 817 9.174 9.671 3.927
289 HH12 ARG 817 HH12 ARG 817 9.975 9.696 5.473
290 HH21 ARG 817 HH21 ARG 817 11.568 6.602 5.042
291 HH22 ARG 817 HH22 ARG 817 11.333 7.963 6.102
292 H PHE 818 HN PHE 818 7.068 2.914 2.125
293 HA PHE 818 HA PHE 818 7.641 1.395 -0.324
294 HB2 PHE 818 HB2 PHE 818 9.121 0.981 2.278
295 HB3 PHE 818 HB1 PHE 818 9.367 0.115 0.766
296 HD1 PHE 818 HD2 PHE 818 10.192 1.435 -1.241
297 HD2 PHE 818 HD1 PHE 818 10.308 2.937 2.740
298 HE1 PHE 818 HE2 PHE 818 11.906 3.068 -1.911
299 HE2 PHE 818 HE1 PHE 818 12.019 4.576 2.076
300 HZ PHE 818 HZ PHE 818 12.760 4.698 -0.253
301 H CYS 819 HN CYS 819 5.871 0.157 -0.463
302 HA CYS 819 HA CYS 819 4.108 -0.697 1.274
303 HB2 CYS 819 HB2 CYS 819 3.933 -2.752 -0.265
304 HB3 CYS 819 HB1 CYS 819 3.644 -1.141 -0.897
305 H SER 820 HN SER 820 4.950 -1.506 3.430
306 HA SER 820 HA SER 820 4.413 -3.341 4.549
307 HB2 SER 820 HB2 SER 820 4.615 -5.598 3.812
308 HB3 SER 820 HB1 SER 820 4.026 -4.664 2.439
309 HG SER 820 HG SER 820 6.183 -4.647 1.638
310 H MET 821 HN MET 821 6.362 -5.542 4.922
311 HA MET 821 HA MET 821 8.442 -4.011 6.242
312 HB2 MET 821 HB2 MET 821 7.704 -6.917 6.249
313 HB3 MET 821 HB1 MET 821 9.153 -6.314 7.039
314 HG2 MET 821 HG2 MET 821 6.421 -5.242 7.665
315 HG3 MET 821 HG1 MET 821 7.091 -6.653 8.478
316 HE1 MET 821 HE1 MET 821 8.109 -2.265 9.179
317 HE2 MET 821 HE2 MET 821 6.948 -2.938 8.033
318 HE3 MET 821 HE3 MET 821 8.661 -2.862 7.621
319 H THR 822 HN THR 822 8.341 -6.787 4.053
320 HA THR 822 HA THR 822 10.941 -7.105 3.296
321 HB THR 822 HB THR 822 8.477 -7.255 1.556
322 HG1 THR 822 HG1 THR 822 9.072 -8.669 3.598
323 HG21 THR 822 HG21 THR 822 10.489 -7.093 0.173
324 HG22 THR 822 HG22 THR 822 9.792 -8.711 0.095
325 HG23 THR 822 HG23 THR 822 11.224 -8.414 1.081
326 H CYS 823 HN CYS 823 8.740 -4.710 1.814
327 HA CYS 823 HA CYS 823 10.770 -3.875 -0.025
328 HB2 CYS 823 HB2 CYS 823 8.092 -2.717 0.669
329 HB3 CYS 823 HB1 CYS 823 9.161 -2.066 -0.578
330 H ALA 824 HN ALA 824 9.457 -2.514 3.002
331 HA ALA 824 HA ALA 824 10.935 -0.128 2.881
332 HB1 ALA 824 HB1 ALA 824 9.966 -1.612 5.318
333 HB2 ALA 824 HB2 ALA 824 9.055 -0.414 4.395
334 HB3 ALA 824 HB3 ALA 824 10.507 0.065 5.277
335 H LYS 825 HN LYS 825 11.723 -3.288 4.342
336 HA LYS 825 HA LYS 825 14.209 -2.458 5.348
337 HB2 LYS 825 HB2 LYS 825 14.689 -4.775 5.728
338 HB3 LYS 825 HB1 LYS 825 13.005 -4.458 6.113
339 HG2 LYS 825 HG2 LYS 825 12.324 -5.450 3.993
340 HG3 LYS 825 HG1 LYS 825 14.016 -5.769 3.601
341 HD2 LYS 825 HD2 LYS 825 12.570 -6.864 6.016
342 HD3 LYS 825 HD1 LYS 825 12.837 -7.749 4.512
343 HE2 LYS 825 HE2 LYS 825 15.211 -7.672 4.814
344 HE3 LYS 825 HE1 LYS 825 15.053 -6.585 6.193
345 HZ1 LYS 825 HZ1 LYS 825 13.939 -9.336 6.144
346 HZ2 LYS 825 HZ2 LYS 825 14.088 -8.304 7.485
347 HZ3 LYS 825 HZ3 LYS 825 15.472 -8.962 6.758
348 H ARG 826 HN ARG 826 13.085 -3.541 2.275
349 HA ARG 826 HA ARG 826 15.470 -4.453 1.093
350 HB2 ARG 826 HB2 ARG 826 13.208 -4.979 0.273
351 HB3 ARG 826 HB1 ARG 826 13.025 -3.313 -0.256
352 HG2 ARG 826 HG2 ARG 826 13.578 -4.649 -2.154
353 HG3 ARG 826 HG1 ARG 826 14.976 -3.645 -1.763
354 HD2 ARG 826 HD2 ARG 826 15.944 -5.583 -0.540
355 HD3 ARG 826 HD1 ARG 826 14.590 -6.563 -1.105
356 HE ARG 826 HE ARG 826 16.484 -5.255 -2.958
357 HH11 ARG 826 HH11 ARG 826 14.604 -8.043 -1.952
358 HH12 ARG 826 HH12 ARG 826 15.164 -9.044 -3.264
359 HH21 ARG 826 HH21 ARG 826 17.197 -6.548 -4.675
360 HH22 ARG 826 HH22 ARG 826 16.643 -8.188 -4.817
361 H TYR 827 HN TYR 827 14.091 -1.273 1.509
362 HA TYR 827 HA TYR 827 15.263 0.183 -0.469
363 HB2 TYR 827 HB2 TYR 827 13.658 1.109 1.071
364 HB3 TYR 827 HB1 TYR 827 14.821 1.008 2.393
365 HD1 TYR 827 HD1 TYR 827 14.873 2.342 -1.101
366 HD2 TYR 827 HD2 TYR 827 15.635 3.068 3.022
367 HE1 TYR 827 HE1 TYR 827 15.667 4.601 -1.653
368 HE2 TYR 827 HE2 TYR 827 16.433 5.330 2.480
369 HH TYR 827 HH TYR 827 15.975 6.755 -0.605
370 H ASN 828 HN ASN 828 16.669 -1.121 2.431
371 HA ASN 828 HA ASN 828 19.159 0.314 2.247
372 HB2 ASN 828 HB2 ASN 828 18.571 -2.180 3.856
373 HB3 ASN 828 HB1 ASN 828 19.870 -1.021 4.122
374 HD21 ASN 828 HD21 ASN 828 16.493 -1.667 4.458
375 HD22 ASN 828 HD22 ASN 828 16.117 -0.341 5.511
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -23.585 6.685 9.333
2 H2 GLY 1 HT2 GLY 1 -24.311 5.625 8.221
3 H3 GLY 1 HT3 GLY 1 -22.805 6.320 7.874
4 HA2 GLY 1 HA1 GLY 1 -23.341 4.424 10.092
5 HA3 GLY 1 HA2 GLY 1 -22.593 4.000 8.558
6 H THR 2 HN THR 2 -21.083 3.326 10.525
7 HA THR 2 HA THR 2 -19.358 5.405 11.485
8 HB THR 2 HB THR 2 -17.903 3.404 12.159
9 HG1 THR 2 HG1 THR 2 -19.128 1.392 12.133
10 HG21 THR 2 HG21 THR 2 -19.411 2.778 13.995
11 HG22 THR 2 HG22 THR 2 -20.752 3.551 13.147
12 HG23 THR 2 HG23 THR 2 -19.399 4.523 13.726
13 H ARG 3 HN ARG 3 -17.243 5.847 10.842
14 HA ARG 3 HA ARG 3 -16.797 5.294 8.014
15 HB2 ARG 3 HB2 ARG 3 -15.362 7.230 9.842
16 HB3 ARG 3 HB1 ARG 3 -15.226 7.156 8.088
17 HG2 ARG 3 HG2 ARG 3 -17.576 7.766 7.869
18 HG3 ARG 3 HG1 ARG 3 -17.730 7.817 9.625
19 HD2 ARG 3 HD2 ARG 3 -16.022 9.602 9.680
20 HD3 ARG 3 HD1 ARG 3 -15.985 9.582 7.918
21 HE ARG 3 HE ARG 3 -18.498 10.156 9.346
22 HH11 ARG 3 HH11 ARG 3 -15.958 11.096 7.145
23 HH12 ARG 3 HH12 ARG 3 -16.775 12.518 6.574
24 HH21 ARG 3 HH21 ARG 3 -19.573 12.073 8.656
25 HH22 ARG 3 HH22 ARG 3 -18.827 13.093 7.459
26 H GLY 783 HN GLY 783 -16.246 3.066 8.543
27 HA2 GLY 783 HA2 GLY 783 -14.637 1.417 8.598
28 HA3 GLY 783 HA1 GLY 783 -13.414 2.679 8.703
29 H VAL 784 HN VAL 784 -12.278 2.679 10.523
30 HA VAL 784 HA VAL 784 -13.513 1.606 12.965
31 HB VAL 784 HB VAL 784 -11.236 1.648 13.930
32 HG11 VAL 784 HG11 VAL 784 -12.023 -0.376 12.831
33 HG12 VAL 784 HG12 VAL 784 -10.289 -0.168 12.590
34 HG13 VAL 784 HG13 VAL 784 -11.414 0.209 11.286
35 HG21 VAL 784 HG21 VAL 784 -9.298 2.116 12.558
36 HG22 VAL 784 HG22 VAL 784 -10.352 3.530 12.609
37 HG23 VAL 784 HG23 VAL 784 -10.330 2.495 11.181
38 H ASP 785 HN ASP 785 -13.670 4.315 11.482
39 HA ASP 785 HA ASP 785 -14.103 6.458 11.982
40 HB2 ASP 785 HB2 ASP 785 -14.269 5.283 14.735
41 HB3 ASP 785 HB1 ASP 785 -14.394 7.025 14.497
42 H SER 786 HN SER 786 -11.351 5.484 11.768
43 HA SER 786 HA SER 786 -10.003 7.612 13.253
44 HB2 SER 786 HB2 SER 786 -8.845 5.383 11.565
45 HB3 SER 786 HB1 SER 786 -7.906 6.574 12.466
46 HG SER 786 HG SER 786 -8.237 5.490 14.233
47 HA PRO 787 HA PRO 787 -10.454 9.937 9.490
48 HB2 PRO 787 HB2 PRO 787 -9.377 12.227 10.824
49 HB3 PRO 787 HB1 PRO 787 -11.070 11.855 10.502
50 HG2 PRO 787 HG2 PRO 787 -9.926 11.936 13.013
51 HG3 PRO 787 HG1 PRO 787 -11.411 11.060 12.609
52 HD2 PRO 787 HD2 PRO 787 -8.620 10.025 12.912
53 HD3 PRO 787 HD1 PRO 787 -10.160 9.286 13.408
54 H SER 788 HN SER 788 -7.889 8.455 10.074
55 HA SER 788 HA SER 788 -5.892 10.300 9.043
56 HB2 SER 788 HB2 SER 788 -5.668 7.362 9.763
57 HB3 SER 788 HB1 SER 788 -4.322 8.417 9.329
58 HG SER 788 HG SER 788 -5.686 9.622 11.265
59 H ALA 789 HN ALA 789 -5.373 7.163 7.834
60 HA ALA 789 HA ALA 789 -6.762 7.794 5.312
61 HB1 ALA 789 HB1 ALA 789 -4.192 6.237 5.671
62 HB2 ALA 789 HB2 ALA 789 -4.329 7.872 5.023
63 HB3 ALA 789 HB3 ALA 789 -5.028 6.514 4.142
64 H GLU 790 HN GLU 790 -7.476 6.393 7.826
65 HA GLU 790 HA GLU 790 -7.571 3.584 7.314
66 HB2 GLU 790 HB2 GLU 790 -9.067 5.271 9.327
67 HB3 GLU 790 HB1 GLU 790 -8.931 3.519 9.357
68 HG2 GLU 790 HG2 GLU 790 -6.637 5.455 9.613
69 HG3 GLU 790 HG1 GLU 790 -7.427 4.622 10.951
70 H LEU 791 HN LEU 791 -9.768 6.272 7.141
71 HA LEU 791 HA LEU 791 -12.208 5.689 7.414
72 HB2 LEU 791 HB2 LEU 791 -11.146 6.916 4.896
73 HB3 LEU 791 HB1 LEU 791 -12.857 6.875 5.267
74 HG LEU 791 HG LEU 791 -12.113 9.018 5.891
75 HD11 LEU 791 HD11 LEU 791 -12.211 7.326 8.380
76 HD12 LEU 791 HD12 LEU 791 -13.587 8.033 7.534
77 HD13 LEU 791 HD13 LEU 791 -12.408 9.079 8.325
78 HD21 LEU 791 HD21 LEU 791 -10.197 9.411 7.395
79 HD22 LEU 791 HD22 LEU 791 -9.726 8.663 5.869
80 HD23 LEU 791 HD23 LEU 791 -9.825 7.689 7.337
81 H ASP 792 HN ASP 792 -12.011 3.209 7.274
82 HA ASP 792 HA ASP 792 -12.949 1.293 6.521
83 HB2 ASP 792 HB2 ASP 792 -14.968 2.770 6.424
84 HB3 ASP 792 HB1 ASP 792 -14.614 3.069 4.724
85 H LYS 793 HN LYS 793 -10.554 1.975 5.382
86 HA LYS 793 HA LYS 793 -9.166 0.880 3.961
87 HB2 LYS 793 HB2 LYS 793 -10.682 -0.994 3.893
88 HB3 LYS 793 HB1 LYS 793 -11.701 -0.182 2.716
89 HG2 LYS 793 HG2 LYS 793 -9.928 -0.313 1.062
90 HG3 LYS 793 HG1 LYS 793 -8.856 -1.052 2.253
91 HD2 LYS 793 HD2 LYS 793 -9.680 -2.841 0.969
92 HD3 LYS 793 HD1 LYS 793 -10.599 -2.886 2.471
93 HE2 LYS 793 HE2 LYS 793 -11.588 -1.551 -0.039
94 HE3 LYS 793 HE1 LYS 793 -11.919 -3.235 0.345
95 HZ1 LYS 793 HZ1 LYS 793 -12.767 -0.858 1.910
96 HZ2 LYS 793 HZ2 LYS 793 -12.993 -2.461 2.414
97 HZ3 LYS 793 HZ3 LYS 793 -13.762 -1.895 1.014
98 H LYS 794 HN LYS 794 -11.940 1.942 2.006
99 HA LYS 794 HA LYS 794 -12.195 3.522 0.425
100 HB2 LYS 794 HB2 LYS 794 -9.567 4.466 1.511
101 HB3 LYS 794 HB1 LYS 794 -10.299 5.232 0.106
102 HG2 LYS 794 HG2 LYS 794 -11.469 5.017 2.875
103 HG3 LYS 794 HG1 LYS 794 -10.897 6.475 2.058
104 HD2 LYS 794 HD2 LYS 794 -12.638 6.208 0.361
105 HD3 LYS 794 HD1 LYS 794 -13.218 4.761 1.186
106 HE2 LYS 794 HE2 LYS 794 -14.615 6.610 1.796
107 HE3 LYS 794 HE1 LYS 794 -13.650 6.140 3.194
108 HZ1 LYS 794 HZ1 LYS 794 -13.113 8.431 1.386
109 HZ2 LYS 794 HZ2 LYS 794 -12.129 7.973 2.688
110 HZ3 LYS 794 HZ3 LYS 794 -13.709 8.523 2.969
111 H ALA 795 HN ALA 795 -9.081 1.921 0.342
112 HA ALA 795 HA ALA 795 -8.032 0.766 -1.298
113 HB1 ALA 795 HB1 ALA 795 -9.044 0.352 -3.464
114 HB2 ALA 795 HB2 ALA 795 -10.295 1.550 -3.130
115 HB3 ALA 795 HB3 ALA 795 -10.211 0.072 -2.173
116 H ASN 796 HN ASN 796 -7.887 3.698 -0.719
117 HA ASN 796 HA ASN 796 -6.947 4.880 -3.153
118 HB2 ASN 796 HB2 ASN 796 -5.942 6.595 -1.464
119 HB3 ASN 796 HB1 ASN 796 -7.683 6.524 -1.692
120 HD21 ASN 796 HD21 ASN 796 -5.746 4.249 0.196
121 HD22 ASN 796 HD22 ASN 796 -6.443 4.654 1.729
122 H LEU 797 HN LEU 797 -5.247 4.005 -4.116
123 HA LEU 797 HA LEU 797 -3.129 2.851 -2.506
124 HB2 LEU 797 HB2 LEU 797 -3.342 2.881 -5.498
125 HB3 LEU 797 HB1 LEU 797 -2.401 1.795 -4.504
126 HG LEU 797 HG LEU 797 -5.418 1.827 -4.641
127 HD11 LEU 797 HD11 LEU 797 -4.439 1.094 -6.744
128 HD12 LEU 797 HD12 LEU 797 -5.159 -0.269 -5.886
129 HD13 LEU 797 HD13 LEU 797 -3.410 -0.048 -5.882
130 HD21 LEU 797 HD21 LEU 797 -4.543 1.026 -2.501
131 HD22 LEU 797 HD22 LEU 797 -3.521 -0.130 -3.355
132 HD23 LEU 797 HD23 LEU 797 -5.276 -0.279 -3.435
133 H LEU 798 HN LEU 798 -1.057 3.478 -2.599
134 HA LEU 798 HA LEU 798 -0.124 5.308 -4.650
135 HB2 LEU 798 HB2 LEU 798 0.971 6.849 -3.205
136 HB3 LEU 798 HB1 LEU 798 -0.697 6.785 -2.702
137 HG LEU 798 HG LEU 798 0.593 6.959 -0.740
138 HD11 LEU 798 HD11 LEU 798 0.128 4.935 0.501
139 HD12 LEU 798 HD12 LEU 798 -0.119 4.049 -1.004
140 HD13 LEU 798 HD13 LEU 798 -1.223 5.348 -0.556
141 HD21 LEU 798 HD21 LEU 798 2.408 5.330 -0.198
142 HD22 LEU 798 HD22 LEU 798 2.760 6.443 -1.521
143 HD23 LEU 798 HD23 LEU 798 2.307 4.775 -1.873
144 H LYS 799 HN LYS 799 2.427 5.172 -4.642
145 HA LYS 799 HA LYS 799 2.682 2.356 -4.020
146 HB2 LYS 799 HB2 LYS 799 3.815 1.897 -6.162
147 HB3 LYS 799 HB1 LYS 799 2.257 2.662 -6.450
148 HG2 LYS 799 HG2 LYS 799 3.410 4.823 -6.741
149 HG3 LYS 799 HG1 LYS 799 4.954 3.999 -6.537
150 HD2 LYS 799 HD2 LYS 799 4.507 2.635 -8.495
151 HD3 LYS 799 HD1 LYS 799 2.925 3.392 -8.682
152 HE2 LYS 799 HE2 LYS 799 4.089 5.582 -8.959
153 HE3 LYS 799 HE1 LYS 799 5.622 4.710 -8.948
154 HZ1 LYS 799 HZ1 LYS 799 3.421 4.387 -10.916
155 HZ2 LYS 799 HZ2 LYS 799 4.828 3.441 -10.886
156 HZ3 LYS 799 HZ3 LYS 799 4.927 5.107 -11.197
157 H CYS 800 HN CYS 800 4.339 1.453 -3.341
158 HA CYS 800 HA CYS 800 6.382 2.430 -1.925
159 HB2 CYS 800 HB2 CYS 800 5.639 0.187 -1.974
160 HB3 CYS 800 HB1 CYS 800 5.971 0.041 -3.686
161 H GLU 801 HN GLU 801 7.697 4.055 -2.667
162 HA GLU 801 HA GLU 801 8.547 4.421 -5.336
163 HB2 GLU 801 HB2 GLU 801 9.638 5.572 -2.769
164 HB3 GLU 801 HB1 GLU 801 10.018 6.155 -4.383
165 HG2 GLU 801 HG2 GLU 801 7.730 6.795 -4.749
166 HG3 GLU 801 HG1 GLU 801 7.252 6.088 -3.206
167 H TYR 802 HN TYR 802 9.410 1.827 -3.841
168 HA TYR 802 HA TYR 802 12.205 1.990 -4.743
169 HB2 TYR 802 HB2 TYR 802 11.810 1.154 -2.400
170 HB3 TYR 802 HB1 TYR 802 10.992 -0.241 -3.101
171 HD1 TYR 802 HD2 TYR 802 14.234 1.458 -2.697
172 HD2 TYR 802 HD1 TYR 802 12.229 -1.983 -4.196
173 HE1 TYR 802 HE2 TYR 802 16.392 0.309 -2.932
174 HE2 TYR 802 HE1 TYR 802 14.383 -3.145 -4.427
175 HH TYR 802 HH TYR 802 16.727 -2.666 -4.626
176 H CYS 803 HN CYS 803 9.254 0.041 -4.944
177 HA CYS 803 HA CYS 803 10.334 -1.236 -7.371
178 HB2 CYS 803 HB2 CYS 803 8.706 -3.085 -6.836
179 HB3 CYS 803 HB1 CYS 803 10.002 -2.896 -5.659
180 H GLY 804 HN GLY 804 7.648 0.580 -6.072
181 HA2 GLY 804 HA2 GLY 804 6.374 1.997 -7.432
182 HA3 GLY 804 HA1 GLY 804 6.882 1.074 -8.835
183 H LYS 805 HN LYS 805 5.726 -0.689 -6.107
184 HA LYS 805 HA LYS 805 3.464 -1.563 -7.708
185 HB2 LYS 805 HB2 LYS 805 4.493 -2.542 -5.033
186 HB3 LYS 805 HB1 LYS 805 3.165 -3.266 -5.935
187 HG2 LYS 805 HG2 LYS 805 5.992 -3.017 -6.948
188 HG3 LYS 805 HG1 LYS 805 5.289 -4.474 -6.240
189 HD2 LYS 805 HD2 LYS 805 3.840 -4.798 -8.039
190 HD3 LYS 805 HD1 LYS 805 3.976 -3.123 -8.574
191 HE2 LYS 805 HE2 LYS 805 6.280 -5.060 -8.648
192 HE3 LYS 805 HE1 LYS 805 5.163 -4.846 -9.994
193 HZ1 LYS 805 HZ1 LYS 805 5.770 -2.486 -10.050
194 HZ2 LYS 805 HZ2 LYS 805 7.114 -3.487 -10.307
195 HZ3 LYS 805 HZ3 LYS 805 6.892 -2.743 -8.807
196 H TYR 806 HN TYR 806 1.346 -1.105 -7.259
197 HA TYR 806 HA TYR 806 0.919 1.117 -5.406
198 HB2 TYR 806 HB2 TYR 806 -0.930 -0.190 -7.414
199 HB3 TYR 806 HB1 TYR 806 -1.356 1.186 -6.407
200 HD1 TYR 806 HD2 TYR 806 -0.342 3.390 -6.820
201 HD2 TYR 806 HD1 TYR 806 0.479 0.064 -9.341
202 HE1 TYR 806 HE2 TYR 806 0.544 4.915 -8.531
203 HE2 TYR 806 HE1 TYR 806 1.374 1.580 -11.055
204 HH TYR 806 HH TYR 806 2.137 4.800 -10.463
205 H ALA 807 HN ALA 807 0.007 0.986 -3.558
206 HA ALA 807 HA ALA 807 -1.490 -1.387 -2.758
207 HB1 ALA 807 HB1 ALA 807 1.014 -0.486 -1.322
208 HB2 ALA 807 HB2 ALA 807 0.882 -1.926 -2.330
209 HB3 ALA 807 HB3 ALA 807 -0.049 -1.807 -0.835
210 HA PRO 808 HA PRO 808 -3.804 1.559 -0.546
211 HB2 PRO 808 HB2 PRO 808 -4.174 -0.233 1.730
212 HB3 PRO 808 HB1 PRO 808 -5.356 0.299 0.534
213 HG2 PRO 808 HG2 PRO 808 -4.427 -2.242 0.641
214 HG3 PRO 808 HG1 PRO 808 -4.916 -1.466 -0.875
215 HD2 PRO 808 HD2 PRO 808 -2.174 -1.916 0.234
216 HD3 PRO 808 HD1 PRO 808 -2.749 -2.053 -1.442
217 H ALA 809 HN ALA 809 -3.300 3.239 0.609
218 HA ALA 809 HA ALA 809 -1.022 3.813 1.911
219 HB1 ALA 809 HB1 ALA 809 -3.731 4.838 2.735
220 HB2 ALA 809 HB2 ALA 809 -2.756 5.443 1.395
221 HB3 ALA 809 HB3 ALA 809 -2.181 5.617 3.054
222 H GLU 810 HN GLU 810 -3.662 2.015 3.306
223 HA GLU 810 HA GLU 810 -3.179 2.146 6.000
224 HB2 GLU 810 HB2 GLU 810 -5.110 1.030 5.138
225 HB3 GLU 810 HB1 GLU 810 -4.126 -0.155 4.294
226 HG2 GLU 810 HG2 GLU 810 -3.558 -0.192 7.117
227 HG3 GLU 810 HG1 GLU 810 -5.285 -0.386 6.818
228 H GLN 811 HN GLN 811 -1.592 -0.047 3.670
229 HA GLN 811 HA GLN 811 -0.015 -1.257 5.804
230 HB2 GLN 811 HB2 GLN 811 0.837 -2.745 4.041
231 HB3 GLN 811 HB1 GLN 811 -0.911 -2.767 4.171
232 HG2 GLN 811 HG2 GLN 811 -0.838 -2.622 1.948
233 HG3 GLN 811 HG1 GLN 811 -0.583 -0.904 2.243
234 HE21 GLN 811 HE21 GLN 811 1.434 -0.027 1.902
235 HE22 GLN 811 HE22 GLN 811 2.684 -0.866 1.064
236 H PHE 812 HN PHE 812 0.330 1.593 4.737
237 HA PHE 812 HA PHE 812 3.173 1.400 4.029
238 HB2 PHE 812 HB2 PHE 812 1.116 3.532 3.565
239 HB3 PHE 812 HB1 PHE 812 2.820 3.968 3.626
240 HD1 PHE 812 HD1 PHE 812 0.285 2.027 1.811
241 HD2 PHE 812 HD2 PHE 812 4.295 3.430 1.862
242 HE1 PHE 812 HE1 PHE 812 0.547 1.368 -0.545
243 HE2 PHE 812 HE2 PHE 812 4.567 2.773 -0.490
244 HZ PHE 812 HZ PHE 812 2.688 1.737 -1.699
245 H ARG 813 HN ARG 813 2.231 0.882 6.644
246 HA ARG 813 HA ARG 813 2.894 3.205 8.256
247 HB2 ARG 813 HB2 ARG 813 2.349 0.349 9.100
248 HB3 ARG 813 HB1 ARG 813 2.434 1.750 10.164
249 HG2 ARG 813 HG2 ARG 813 0.491 2.718 9.067
250 HG3 ARG 813 HG1 ARG 813 0.412 1.340 7.971
251 HD2 ARG 813 HD2 ARG 813 0.131 -0.122 9.991
252 HD3 ARG 813 HD1 ARG 813 -0.031 1.353 10.950
253 HE ARG 813 HE ARG 813 -1.817 0.824 8.671
254 HH11 ARG 813 HH11 ARG 813 -1.353 1.452 12.087
255 HH12 ARG 813 HH12 ARG 813 -3.040 1.759 12.390
256 HH21 ARG 813 HH21 ARG 813 -4.024 1.217 9.058
257 HH22 ARG 813 HH22 ARG 813 -4.567 1.631 10.648
258 H GLY 814 HN GLY 814 4.562 3.185 9.847
259 HA2 GLY 814 HA2 GLY 814 6.795 2.757 10.428
260 HA3 GLY 814 HA1 GLY 814 6.925 1.672 9.046
261 H SER 815 HN SER 815 6.271 3.039 6.918
262 HA SER 815 HA SER 815 7.246 5.750 6.899
263 HB2 SER 815 HB2 SER 815 8.792 3.588 5.435
264 HB3 SER 815 HB1 SER 815 9.039 5.322 5.236
265 HG SER 815 HG SER 815 9.113 4.621 7.850
266 H LYS 816 HN LYS 816 5.954 6.807 5.541
267 HA LYS 816 HA LYS 816 4.275 5.396 3.662
268 HB2 LYS 816 HB2 LYS 816 4.643 8.322 4.306
269 HB3 LYS 816 HB1 LYS 816 3.523 7.752 3.078
270 HG2 LYS 816 HG2 LYS 816 3.418 6.982 5.990
271 HG3 LYS 816 HG1 LYS 816 2.437 8.244 5.238
272 HD2 LYS 816 HD2 LYS 816 1.475 6.572 3.719
273 HD3 LYS 816 HD1 LYS 816 2.444 5.321 4.497
274 HE2 LYS 816 HE2 LYS 816 0.256 5.201 5.419
275 HE3 LYS 816 HE1 LYS 816 1.306 5.900 6.649
276 HZ1 LYS 816 HZ1 LYS 816 -0.809 7.064 6.483
277 HZ2 LYS 816 HZ2 LYS 816 -0.497 7.437 4.858
278 HZ3 LYS 816 HZ3 LYS 816 0.480 8.090 6.077
279 H ARG 817 HN ARG 817 6.374 4.579 2.633
280 HA ARG 817 HA ARG 817 7.143 6.147 0.285
281 HB2 ARG 817 HB2 ARG 817 8.815 5.860 2.665
282 HB3 ARG 817 HB1 ARG 817 9.571 5.276 1.187
283 HG2 ARG 817 HG2 ARG 817 8.994 7.460 0.126
284 HG3 ARG 817 HG1 ARG 817 8.467 8.020 1.712
285 HD2 ARG 817 HD2 ARG 817 10.650 7.867 2.598
286 HD3 ARG 817 HD1 ARG 817 11.224 6.926 1.220
287 HE ARG 817 HE ARG 817 10.291 9.410 0.298
288 HH11 ARG 817 HH11 ARG 817 12.939 8.097 2.201
289 HH12 ARG 817 HH12 ARG 817 14.054 9.350 1.732
290 HH21 ARG 817 HH21 ARG 817 11.747 11.034 -0.323
291 HH22 ARG 817 HH22 ARG 817 13.367 11.039 0.318
292 H PHE 818 HN PHE 818 7.195 3.184 2.195
293 HA PHE 818 HA PHE 818 7.561 1.721 -0.319
294 HB2 PHE 818 HB2 PHE 818 8.842 0.985 2.320
295 HB3 PHE 818 HB1 PHE 818 9.058 0.167 0.777
296 HD1 PHE 818 HD2 PHE 818 10.064 1.590 -1.136
297 HD2 PHE 818 HD1 PHE 818 10.331 2.617 2.983
298 HE1 PHE 818 HE2 PHE 818 11.974 3.060 -1.628
299 HE2 PHE 818 HE1 PHE 818 12.239 4.090 2.499
300 HZ PHE 818 HZ PHE 818 13.064 4.314 0.189
301 H CYS 819 HN CYS 819 6.744 -0.528 -0.130
302 HA CYS 819 HA CYS 819 4.392 -0.831 1.531
303 HB2 CYS 819 HB2 CYS 819 5.665 -3.256 0.455
304 HB3 CYS 819 HB1 CYS 819 4.001 -2.731 0.290
305 H SER 820 HN SER 820 5.055 -3.603 2.306
306 HA SER 820 HA SER 820 5.318 -2.650 5.022
307 HB2 SER 820 HB2 SER 820 5.033 -5.461 3.974
308 HB3 SER 820 HB1 SER 820 4.761 -4.919 5.630
309 HG SER 820 HG SER 820 3.259 -3.359 4.246
310 H MET 821 HN MET 821 6.696 -5.719 5.001
311 HA MET 821 HA MET 821 9.009 -4.463 6.182
312 HB2 MET 821 HB2 MET 821 7.935 -7.228 6.116
313 HB3 MET 821 HB1 MET 821 9.645 -7.006 6.462
314 HG2 MET 821 HG2 MET 821 7.359 -5.770 7.956
315 HG3 MET 821 HG1 MET 821 8.354 -7.115 8.508
316 HE1 MET 821 HE1 MET 821 11.191 -5.847 7.201
317 HE2 MET 821 HE2 MET 821 11.111 -6.785 8.694
318 HE3 MET 821 HE3 MET 821 11.876 -5.196 8.691
319 H THR 822 HN THR 822 8.534 -6.932 3.690
320 HA THR 822 HA THR 822 11.057 -7.360 2.843
321 HB THR 822 HB THR 822 8.920 -6.982 0.776
322 HG1 THR 822 HG1 THR 822 9.007 -8.925 2.866
323 HG21 THR 822 HG21 THR 822 11.105 -7.793 0.057
324 HG22 THR 822 HG22 THR 822 9.892 -9.065 -0.103
325 HG23 THR 822 HG23 THR 822 11.029 -9.093 1.246
326 H CYS 823 HN CYS 823 8.966 -4.741 1.540
327 HA CYS 823 HA CYS 823 11.069 -3.891 -0.165
328 HB2 CYS 823 HB2 CYS 823 8.511 -2.432 0.527
329 HB3 CYS 823 HB1 CYS 823 9.576 -2.072 -0.832
330 H ALA 824 HN ALA 824 9.756 -2.486 2.866
331 HA ALA 824 HA ALA 824 11.478 -0.269 2.881
332 HB1 ALA 824 HB1 ALA 824 10.351 -1.753 5.249
333 HB2 ALA 824 HB2 ALA 824 9.523 -0.483 4.343
334 HB3 ALA 824 HB3 ALA 824 10.990 -0.107 5.251
335 H LYS 825 HN LYS 825 11.868 -3.543 4.206
336 HA LYS 825 HA LYS 825 14.415 -3.286 5.233
337 HB2 LYS 825 HB2 LYS 825 13.364 -5.235 5.812
338 HB3 LYS 825 HB1 LYS 825 12.731 -5.504 4.199
339 HG2 LYS 825 HG2 LYS 825 15.031 -6.148 3.485
340 HG3 LYS 825 HG1 LYS 825 15.517 -6.052 5.183
341 HD2 LYS 825 HD2 LYS 825 13.935 -7.765 5.781
342 HD3 LYS 825 HD1 LYS 825 13.270 -7.774 4.146
343 HE2 LYS 825 HE2 LYS 825 15.371 -8.606 3.266
344 HE3 LYS 825 HE1 LYS 825 16.106 -8.524 4.868
345 HZ1 LYS 825 HZ1 LYS 825 14.447 -10.160 5.621
346 HZ2 LYS 825 HZ2 LYS 825 15.453 -10.771 4.400
347 HZ3 LYS 825 HZ3 LYS 825 13.865 -10.288 4.034
348 H ARG 826 HN ARG 826 13.280 -3.939 1.991
349 HA ARG 826 HA ARG 826 15.686 -4.804 0.789
350 HB2 ARG 826 HB2 ARG 826 13.488 -5.329 -0.109
351 HB3 ARG 826 HB1 ARG 826 13.187 -3.630 -0.422
352 HG2 ARG 826 HG2 ARG 826 13.782 -4.929 -2.436
353 HG3 ARG 826 HG1 ARG 826 14.866 -3.575 -2.120
354 HD2 ARG 826 HD2 ARG 826 16.079 -5.593 -2.805
355 HD3 ARG 826 HD1 ARG 826 16.517 -5.071 -1.181
356 HE ARG 826 HE ARG 826 14.452 -7.105 -1.317
357 HH11 ARG 826 HH11 ARG 826 17.867 -6.387 -1.043
358 HH12 ARG 826 HH12 ARG 826 18.268 -7.921 -0.320
359 HH21 ARG 826 HH21 ARG 826 14.960 -9.121 -0.367
360 HH22 ARG 826 HH22 ARG 826 16.612 -9.497 0.024
361 H TYR 827 HN TYR 827 14.248 -1.656 1.302
362 HA TYR 827 HA TYR 827 15.532 -0.086 -0.519
363 HB2 TYR 827 HB2 TYR 827 13.814 0.721 0.999
364 HB3 TYR 827 HB1 TYR 827 14.931 0.602 2.354
365 HD1 TYR 827 HD1 TYR 827 15.121 2.066 -1.093
366 HD2 TYR 827 HD2 TYR 827 15.637 2.662 3.088
367 HE1 TYR 827 HE1 TYR 827 15.867 4.372 -1.520
368 HE2 TYR 827 HE2 TYR 827 16.383 4.964 2.673
369 HH TYR 827 HH TYR 827 16.056 6.486 -0.380
370 H ASN 828 HN ASN 828 16.724 -1.329 2.550
371 HA ASN 828 HA ASN 828 18.727 -1.320 3.610
372 HB2 ASN 828 HB2 ASN 828 19.680 -0.759 0.810
373 HB3 ASN 828 HB1 ASN 828 20.801 -0.750 2.166
374 HD21 ASN 828 HD21 ASN 828 18.028 -2.878 1.926
375 HD22 ASN 828 HD22 ASN 828 18.937 -4.339 1.758
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -11.066 -8.830 1.592
2 H2 GLY 1 HT2 GLY 1 -9.430 -8.713 1.180
3 H3 GLY 1 HT3 GLY 1 -10.407 -9.877 0.427
4 HA2 GLY 1 HA1 GLY 1 -10.074 -8.108 -1.106
5 HA3 GLY 1 HA2 GLY 1 -11.743 -8.066 -0.551
6 H THR 2 HN THR 2 -9.280 -6.144 -1.311
7 HA THR 2 HA THR 2 -10.118 -4.062 0.607
8 HB THR 2 HB THR 2 -7.363 -4.111 -0.611
9 HG1 THR 2 HG1 THR 2 -8.318 -5.555 1.640
10 HG21 THR 2 HG21 THR 2 -8.142 -2.045 0.483
11 HG22 THR 2 HG22 THR 2 -6.798 -2.777 1.358
12 HG23 THR 2 HG23 THR 2 -8.444 -2.951 1.966
13 H ARG 3 HN ARG 3 -11.338 -4.579 -1.887
14 HA ARG 3 HA ARG 3 -10.586 -2.215 -3.429
15 HB2 ARG 3 HB2 ARG 3 -10.522 -3.499 -5.536
16 HB3 ARG 3 HB1 ARG 3 -9.251 -3.989 -4.422
17 HG2 ARG 3 HG2 ARG 3 -10.594 -5.926 -3.755
18 HG3 ARG 3 HG1 ARG 3 -11.848 -5.439 -4.896
19 HD2 ARG 3 HD2 ARG 3 -10.198 -5.658 -6.729
20 HD3 ARG 3 HD1 ARG 3 -9.019 -6.252 -5.556
21 HE ARG 3 HE ARG 3 -11.321 -7.817 -5.319
22 HH11 ARG 3 HH11 ARG 3 -8.765 -7.190 -7.630
23 HH12 ARG 3 HH12 ARG 3 -8.922 -8.732 -8.415
24 HH21 ARG 3 HH21 ARG 3 -11.531 -9.843 -6.343
25 HH22 ARG 3 HH22 ARG 3 -10.500 -10.238 -7.682
26 H GLY 783 HN GLY 783 -12.236 -1.297 -4.546
27 HA2 GLY 783 HA2 GLY 783 -14.834 -2.707 -4.535
28 HA3 GLY 783 HA1 GLY 783 -14.669 -0.954 -4.419
29 H VAL 784 HN VAL 784 -15.565 -3.270 -6.527
30 HA VAL 784 HA VAL 784 -14.092 -2.164 -8.803
31 HB VAL 784 HB VAL 784 -14.881 -4.080 -10.101
32 HG11 VAL 784 HG11 VAL 784 -13.655 -4.851 -7.458
33 HG12 VAL 784 HG12 VAL 784 -12.791 -4.264 -8.879
34 HG13 VAL 784 HG13 VAL 784 -13.622 -5.820 -8.931
35 HG21 VAL 784 HG21 VAL 784 -16.070 -5.930 -9.038
36 HG22 VAL 784 HG22 VAL 784 -17.033 -4.451 -9.001
37 HG23 VAL 784 HG23 VAL 784 -16.200 -5.000 -7.546
38 H ASP 785 HN ASP 785 -17.395 -2.709 -7.677
39 HA ASP 785 HA ASP 785 -18.334 -0.496 -9.268
40 HB2 ASP 785 HB2 ASP 785 -18.381 -2.587 -10.782
41 HB3 ASP 785 HB1 ASP 785 -19.675 -3.163 -9.735
42 H SER 786 HN SER 786 -19.105 0.475 -7.462
43 HA SER 786 HA SER 786 -20.999 -1.069 -5.823
44 HB2 SER 786 HB2 SER 786 -19.184 1.171 -4.896
45 HB3 SER 786 HB1 SER 786 -20.251 0.196 -3.886
46 HG SER 786 HG SER 786 -18.986 -1.645 -4.544
47 HA PRO 787 HA PRO 787 -23.876 2.203 -7.007
48 HB2 PRO 787 HB2 PRO 787 -25.633 0.746 -5.150
49 HB3 PRO 787 HB1 PRO 787 -25.870 1.105 -6.863
50 HG2 PRO 787 HG2 PRO 787 -25.349 -1.385 -5.988
51 HG3 PRO 787 HG1 PRO 787 -24.760 -0.791 -7.552
52 HD2 PRO 787 HD2 PRO 787 -23.292 -1.104 -4.964
53 HD3 PRO 787 HD1 PRO 787 -22.745 -1.437 -6.621
54 H SER 788 HN SER 788 -22.985 0.981 -3.884
55 HA SER 788 HA SER 788 -23.986 3.251 -2.412
56 HB2 SER 788 HB2 SER 788 -22.078 1.080 -1.507
57 HB3 SER 788 HB1 SER 788 -23.055 2.133 -0.481
58 HG SER 788 HG SER 788 -24.905 1.133 -1.676
59 H ALA 789 HN ALA 789 -22.383 4.409 -0.939
60 HA ALA 789 HA ALA 789 -20.324 5.540 -2.634
61 HB1 ALA 789 HB1 ALA 789 -20.106 7.227 -0.879
62 HB2 ALA 789 HB2 ALA 789 -21.203 6.308 0.150
63 HB3 ALA 789 HB3 ALA 789 -21.793 7.018 -1.354
64 H GLU 790 HN GLU 790 -19.633 2.985 -2.124
65 HA GLU 790 HA GLU 790 -17.855 2.933 0.184
66 HB2 GLU 790 HB2 GLU 790 -18.688 0.817 -1.786
67 HB3 GLU 790 HB1 GLU 790 -17.440 0.556 -0.575
68 HG2 GLU 790 HG2 GLU 790 -19.173 1.207 1.151
69 HG3 GLU 790 HG1 GLU 790 -20.363 1.105 -0.146
70 H LEU 791 HN LEU 791 -17.649 3.882 -3.010
71 HA LEU 791 HA LEU 791 -15.036 2.788 -3.522
72 HB2 LEU 791 HB2 LEU 791 -16.577 4.905 -5.025
73 HB3 LEU 791 HB1 LEU 791 -15.100 4.141 -5.579
74 HG LEU 791 HG LEU 791 -17.735 2.732 -5.134
75 HD11 LEU 791 HD11 LEU 791 -16.319 3.510 -7.681
76 HD12 LEU 791 HD12 LEU 791 -17.808 4.219 -7.056
77 HD13 LEU 791 HD13 LEU 791 -17.784 2.534 -7.573
78 HD21 LEU 791 HD21 LEU 791 -16.637 0.831 -6.231
79 HD22 LEU 791 HD22 LEU 791 -15.845 1.263 -4.715
80 HD23 LEU 791 HD23 LEU 791 -15.118 1.728 -6.253
81 H ASP 792 HN ASP 792 -15.819 4.807 -1.333
82 HA ASP 792 HA ASP 792 -13.396 6.439 -1.628
83 HB2 ASP 792 HB2 ASP 792 -15.996 7.414 -0.423
84 HB3 ASP 792 HB1 ASP 792 -14.498 8.328 -0.535
85 H LYS 793 HN LYS 793 -14.688 3.993 -0.111
86 HA LYS 793 HA LYS 793 -14.473 4.694 2.641
87 HB2 LYS 793 HB2 LYS 793 -15.914 2.850 1.868
88 HB3 LYS 793 HB1 LYS 793 -14.493 1.962 1.330
89 HG2 LYS 793 HG2 LYS 793 -13.708 1.768 3.607
90 HG3 LYS 793 HG1 LYS 793 -15.041 2.773 4.180
91 HD2 LYS 793 HD2 LYS 793 -16.634 1.077 3.391
92 HD3 LYS 793 HD1 LYS 793 -15.285 0.069 2.862
93 HE2 LYS 793 HE2 LYS 793 -16.133 -0.660 5.031
94 HE3 LYS 793 HE1 LYS 793 -14.477 -0.068 5.160
95 HZ1 LYS 793 HZ1 LYS 793 -15.792 0.770 6.973
96 HZ2 LYS 793 HZ2 LYS 793 -16.942 1.411 5.910
97 HZ3 LYS 793 HZ3 LYS 793 -15.375 2.059 5.955
98 H LYS 794 HN LYS 794 -12.429 3.146 0.272
99 HA LYS 794 HA LYS 794 -10.087 4.080 1.574
100 HB2 LYS 794 HB2 LYS 794 -9.025 1.795 1.784
101 HB3 LYS 794 HB1 LYS 794 -10.299 2.131 2.940
102 HG2 LYS 794 HG2 LYS 794 -11.878 0.869 1.470
103 HG3 LYS 794 HG1 LYS 794 -10.482 0.386 0.502
104 HD2 LYS 794 HD2 LYS 794 -9.477 -0.705 2.415
105 HD3 LYS 794 HD1 LYS 794 -10.768 -0.120 3.464
106 HE2 LYS 794 HE2 LYS 794 -12.385 -1.424 2.087
107 HE3 LYS 794 HE1 LYS 794 -11.015 -2.100 1.203
108 HZ1 LYS 794 HZ1 LYS 794 -11.368 -2.341 4.146
109 HZ2 LYS 794 HZ2 LYS 794 -10.220 -3.139 3.183
110 HZ3 LYS 794 HZ3 LYS 794 -11.860 -3.524 3.039
111 H ALA 795 HN ALA 795 -8.953 1.511 -0.075
112 HA ALA 795 HA ALA 795 -8.019 1.226 -2.114
113 HB1 ALA 795 HB1 ALA 795 -10.366 1.115 -2.845
114 HB2 ALA 795 HB2 ALA 795 -9.306 1.791 -4.082
115 HB3 ALA 795 HB3 ALA 795 -10.345 2.855 -3.133
116 H ASN 796 HN ASN 796 -7.772 3.870 -0.480
117 HA ASN 796 HA ASN 796 -6.765 5.702 -2.436
118 HB2 ASN 796 HB2 ASN 796 -5.788 6.827 -0.305
119 HB3 ASN 796 HB1 ASN 796 -7.527 6.821 -0.544
120 HD21 ASN 796 HD21 ASN 796 -5.465 4.182 0.637
121 HD22 ASN 796 HD22 ASN 796 -6.211 4.085 2.198
122 H LEU 797 HN LEU 797 -5.176 4.812 -3.634
123 HA LEU 797 HA LEU 797 -3.140 3.209 -2.320
124 HB2 LEU 797 HB2 LEU 797 -3.547 3.635 -5.257
125 HB3 LEU 797 HB1 LEU 797 -2.654 2.348 -4.480
126 HG LEU 797 HG LEU 797 -5.648 2.695 -4.324
127 HD11 LEU 797 HD11 LEU 797 -3.989 0.800 -5.983
128 HD12 LEU 797 HD12 LEU 797 -4.942 2.152 -6.593
129 HD13 LEU 797 HD13 LEU 797 -5.746 0.774 -5.842
130 HD21 LEU 797 HD21 LEU 797 -4.725 1.543 -2.395
131 HD22 LEU 797 HD22 LEU 797 -3.852 0.438 -3.455
132 HD23 LEU 797 HD23 LEU 797 -5.615 0.420 -3.422
133 H LEU 798 HN LEU 798 -1.047 3.509 -2.592
134 HA LEU 798 HA LEU 798 0.078 5.593 -4.280
135 HB2 LEU 798 HB2 LEU 798 1.352 6.684 -2.644
136 HB3 LEU 798 HB1 LEU 798 -0.216 6.537 -1.880
137 HG LEU 798 HG LEU 798 2.195 4.797 -1.342
138 HD11 LEU 798 HD11 LEU 798 0.826 6.907 0.315
139 HD12 LEU 798 HD12 LEU 798 2.432 7.010 -0.409
140 HD13 LEU 798 HD13 LEU 798 2.119 5.846 0.879
141 HD21 LEU 798 HD21 LEU 798 0.148 3.529 -1.157
142 HD22 LEU 798 HD22 LEU 798 -0.548 4.765 -0.105
143 HD23 LEU 798 HD23 LEU 798 0.842 3.820 0.438
144 H LYS 799 HN LYS 799 2.766 5.112 -3.908
145 HA LYS 799 HA LYS 799 2.816 2.251 -3.687
146 HB2 LYS 799 HB2 LYS 799 3.321 1.713 -5.921
147 HB3 LYS 799 HB1 LYS 799 2.037 2.908 -6.017
148 HG2 LYS 799 HG2 LYS 799 4.969 3.483 -6.401
149 HG3 LYS 799 HG1 LYS 799 3.803 3.247 -7.700
150 HD2 LYS 799 HD2 LYS 799 2.537 5.202 -6.858
151 HD3 LYS 799 HD1 LYS 799 3.787 5.451 -5.638
152 HE2 LYS 799 HE2 LYS 799 4.150 5.552 -8.629
153 HE3 LYS 799 HE1 LYS 799 4.136 6.931 -7.531
154 HZ1 LYS 799 HZ1 LYS 799 6.382 6.352 -8.087
155 HZ2 LYS 799 HZ2 LYS 799 6.150 4.750 -7.599
156 HZ3 LYS 799 HZ3 LYS 799 6.125 5.996 -6.450
157 H CYS 800 HN CYS 800 4.574 1.245 -3.486
158 HA CYS 800 HA CYS 800 6.765 1.970 -2.206
159 HB2 CYS 800 HB2 CYS 800 5.812 -0.253 -3.041
160 HB3 CYS 800 HB1 CYS 800 6.772 0.006 -4.480
161 H GLU 801 HN GLU 801 7.881 3.838 -2.778
162 HA GLU 801 HA GLU 801 8.808 4.559 -5.304
163 HB2 GLU 801 HB2 GLU 801 9.888 5.112 -2.547
164 HB3 GLU 801 HB1 GLU 801 10.509 5.881 -3.999
165 HG2 GLU 801 HG2 GLU 801 7.646 6.040 -3.087
166 HG3 GLU 801 HG1 GLU 801 8.878 7.256 -2.743
167 H TYR 802 HN TYR 802 9.566 1.705 -4.003
168 HA TYR 802 HA TYR 802 12.328 1.775 -4.985
169 HB2 TYR 802 HB2 TYR 802 11.750 0.868 -2.627
170 HB3 TYR 802 HB1 TYR 802 11.061 -0.513 -3.467
171 HD1 TYR 802 HD1 TYR 802 12.538 -1.990 -4.827
172 HD2 TYR 802 HD2 TYR 802 14.113 1.066 -2.315
173 HE1 TYR 802 HE1 TYR 802 14.754 -3.053 -4.930
174 HE2 TYR 802 HE2 TYR 802 16.328 0.003 -2.407
175 HH TYR 802 HH TYR 802 17.123 -2.420 -4.644
176 H CYS 803 HN CYS 803 9.323 -0.118 -5.219
177 HA CYS 803 HA CYS 803 10.331 -1.168 -7.784
178 HB2 CYS 803 HB2 CYS 803 8.712 -3.086 -7.320
179 HB3 CYS 803 HB1 CYS 803 10.152 -3.008 -6.307
180 H GLY 804 HN GLY 804 7.582 0.370 -6.239
181 HA2 GLY 804 HA2 GLY 804 6.248 1.874 -7.490
182 HA3 GLY 804 HA1 GLY 804 6.650 0.981 -8.946
183 H LYS 805 HN LYS 805 5.616 -0.764 -6.126
184 HA LYS 805 HA LYS 805 3.295 -1.711 -7.560
185 HB2 LYS 805 HB2 LYS 805 4.509 -2.414 -4.892
186 HB3 LYS 805 HB1 LYS 805 2.968 -3.073 -5.419
187 HG2 LYS 805 HG2 LYS 805 5.128 -3.363 -7.372
188 HG3 LYS 805 HG1 LYS 805 5.401 -4.210 -5.849
189 HD2 LYS 805 HD2 LYS 805 4.287 -5.722 -7.318
190 HD3 LYS 805 HD1 LYS 805 3.120 -5.220 -6.098
191 HE2 LYS 805 HE2 LYS 805 1.973 -5.178 -8.159
192 HE3 LYS 805 HE1 LYS 805 2.314 -3.496 -7.760
193 HZ1 LYS 805 HZ1 LYS 805 2.757 -3.978 -10.084
194 HZ2 LYS 805 HZ2 LYS 805 3.875 -5.174 -9.653
195 HZ3 LYS 805 HZ3 LYS 805 4.190 -3.548 -9.286
196 H TYR 806 HN TYR 806 1.263 -0.945 -7.314
197 HA TYR 806 HA TYR 806 0.828 1.245 -5.400
198 HB2 TYR 806 HB2 TYR 806 -0.823 0.223 -7.714
199 HB3 TYR 806 HB1 TYR 806 -1.375 1.468 -6.609
200 HD1 TYR 806 HD1 TYR 806 1.180 0.681 -9.182
201 HD2 TYR 806 HD2 TYR 806 -0.709 3.711 -6.869
202 HE1 TYR 806 HE1 TYR 806 2.246 2.404 -10.579
203 HE2 TYR 806 HE2 TYR 806 0.350 5.439 -8.258
204 HH TYR 806 HH TYR 806 1.917 4.729 -11.212
205 H ALA 807 HN ALA 807 -0.326 1.112 -3.675
206 HA ALA 807 HA ALA 807 -2.126 -1.082 -3.150
207 HB1 ALA 807 HB1 ALA 807 -0.810 -1.980 -1.278
208 HB2 ALA 807 HB2 ALA 807 0.514 -0.891 -1.698
209 HB3 ALA 807 HB3 ALA 807 0.028 -2.165 -2.817
210 HA PRO 808 HA PRO 808 -3.823 1.784 -0.293
211 HB2 PRO 808 HB2 PRO 808 -4.072 -0.198 1.847
212 HB3 PRO 808 HB1 PRO 808 -5.341 0.606 0.921
213 HG2 PRO 808 HG2 PRO 808 -4.787 -2.007 0.603
214 HG3 PRO 808 HG1 PRO 808 -5.314 -0.989 -0.749
215 HD2 PRO 808 HD2 PRO 808 -2.552 -1.905 -0.023
216 HD3 PRO 808 HD1 PRO 808 -3.329 -1.817 -1.623
217 H ALA 809 HN ALA 809 -2.912 3.294 0.829
218 HA ALA 809 HA ALA 809 -0.451 3.476 1.892
219 HB1 ALA 809 HB1 ALA 809 -1.937 5.362 1.645
220 HB2 ALA 809 HB2 ALA 809 -1.236 5.338 3.264
221 HB3 ALA 809 HB3 ALA 809 -2.901 4.812 3.014
222 H GLU 810 HN GLU 810 -3.109 1.889 3.436
223 HA GLU 810 HA GLU 810 -2.421 1.986 6.132
224 HB2 GLU 810 HB2 GLU 810 -4.581 1.236 5.154
225 HB3 GLU 810 HB1 GLU 810 -3.800 -0.263 4.670
226 HG2 GLU 810 HG2 GLU 810 -3.343 -0.771 7.019
227 HG3 GLU 810 HG1 GLU 810 -4.152 0.726 7.489
228 H GLN 811 HN GLN 811 -1.312 -0.275 3.629
229 HA GLN 811 HA GLN 811 -0.063 -2.071 5.499
230 HB2 GLN 811 HB2 GLN 811 0.497 -3.362 3.728
231 HB3 GLN 811 HB1 GLN 811 -0.879 -2.498 3.062
232 HG2 GLN 811 HG2 GLN 811 0.487 -1.122 1.747
233 HG3 GLN 811 HG1 GLN 811 1.939 -1.567 2.644
234 HE21 GLN 811 HE21 GLN 811 1.456 -1.709 -0.188
235 HE22 GLN 811 HE22 GLN 811 1.642 -3.364 -0.640
236 H PHE 812 HN PHE 812 0.917 0.841 3.873
237 HA PHE 812 HA PHE 812 3.671 0.540 4.075
238 HB2 PHE 812 HB2 PHE 812 1.911 2.970 3.906
239 HB3 PHE 812 HB1 PHE 812 3.668 3.061 3.872
240 HD1 PHE 812 HD1 PHE 812 0.939 1.133 2.212
241 HD2 PHE 812 HD2 PHE 812 4.662 3.150 1.800
242 HE1 PHE 812 HE1 PHE 812 0.901 0.702 -0.209
243 HE2 PHE 812 HE2 PHE 812 4.628 2.724 -0.622
244 HZ PHE 812 HZ PHE 812 2.781 1.470 -1.627
245 H ARG 813 HN ARG 813 3.174 -0.411 6.436
246 HA ARG 813 HA ARG 813 3.343 1.429 8.639
247 HB2 ARG 813 HB2 ARG 813 3.969 -1.504 8.350
248 HB3 ARG 813 HB1 ARG 813 4.146 -0.626 9.864
249 HG2 ARG 813 HG2 ARG 813 1.607 -1.053 8.309
250 HG3 ARG 813 HG1 ARG 813 2.046 -1.784 9.854
251 HD2 ARG 813 HD2 ARG 813 1.467 1.121 9.293
252 HD3 ARG 813 HD1 ARG 813 0.520 0.011 10.282
253 HE ARG 813 HE ARG 813 3.215 0.327 11.223
254 HH11 ARG 813 HH11 ARG 813 -0.025 1.630 11.321
255 HH12 ARG 813 HH12 ARG 813 0.229 2.521 12.787
256 HH21 ARG 813 HH21 ARG 813 3.562 1.475 13.165
257 HH22 ARG 813 HH22 ARG 813 2.269 2.407 13.853
258 H GLY 814 HN GLY 814 5.619 0.116 6.391
259 HA2 GLY 814 HA2 GLY 814 7.859 1.091 8.012
260 HA3 GLY 814 HA1 GLY 814 7.987 0.116 6.550
261 H SER 815 HN SER 815 6.541 3.218 7.506
262 HA SER 815 HA SER 815 6.625 5.307 6.598
263 HB2 SER 815 HB2 SER 815 9.088 4.969 6.396
264 HB3 SER 815 HB1 SER 815 8.832 4.244 4.810
265 HG SER 815 HG SER 815 7.780 6.799 5.336
266 H LYS 816 HN LYS 816 5.440 6.327 5.125
267 HA LYS 816 HA LYS 816 3.894 4.705 3.308
268 HB2 LYS 816 HB2 LYS 816 3.892 7.711 3.674
269 HB3 LYS 816 HB1 LYS 816 2.653 6.752 2.876
270 HG2 LYS 816 HG2 LYS 816 3.379 6.473 5.784
271 HG3 LYS 816 HG1 LYS 816 2.072 7.491 5.179
272 HD2 LYS 816 HD2 LYS 816 0.880 5.612 4.346
273 HD3 LYS 816 HD1 LYS 816 2.258 4.543 4.604
274 HE2 LYS 816 HE2 LYS 816 0.510 4.249 6.312
275 HE3 LYS 816 HE1 LYS 816 2.044 4.782 7.000
276 HZ1 LYS 816 HZ1 LYS 816 1.193 7.015 7.149
277 HZ2 LYS 816 HZ2 LYS 816 0.124 5.959 7.927
278 HZ3 LYS 816 HZ3 LYS 816 -0.256 6.564 6.393
279 H ARG 817 HN ARG 817 6.211 4.254 2.384
280 HA ARG 817 HA ARG 817 6.627 5.769 -0.097
281 HB2 ARG 817 HB2 ARG 817 8.714 5.345 2.041
282 HB3 ARG 817 HB1 ARG 817 9.065 5.806 0.381
283 HG2 ARG 817 HG2 ARG 817 7.723 7.852 0.711
284 HG3 ARG 817 HG1 ARG 817 7.510 7.398 2.403
285 HD2 ARG 817 HD2 ARG 817 10.142 7.910 1.024
286 HD3 ARG 817 HD1 ARG 817 9.325 9.013 2.130
287 HE ARG 817 HE ARG 817 9.568 6.894 3.695
288 HH11 ARG 817 HH11 ARG 817 11.875 8.265 1.455
289 HH12 ARG 817 HH12 ARG 817 13.266 7.852 2.409
290 HH21 ARG 817 HH21 ARG 817 11.400 6.300 4.958
291 HH22 ARG 817 HH22 ARG 817 12.995 6.698 4.387
292 H PHE 818 HN PHE 818 7.122 2.935 1.947
293 HA PHE 818 HA PHE 818 7.714 1.421 -0.493
294 HB2 PHE 818 HB2 PHE 818 9.070 1.038 2.189
295 HB3 PHE 818 HB1 PHE 818 9.343 0.072 0.742
296 HD1 PHE 818 HD2 PHE 818 10.289 1.246 -1.310
297 HD2 PHE 818 HD1 PHE 818 10.283 2.981 2.574
298 HE1 PHE 818 HE2 PHE 818 12.031 2.827 -2.022
299 HE2 PHE 818 HE1 PHE 818 12.024 4.572 1.868
300 HZ PHE 818 HZ PHE 818 12.900 4.493 -0.433
301 H CYS 819 HN CYS 819 6.694 -0.570 -0.610
302 HA CYS 819 HA CYS 819 4.342 -0.662 1.032
303 HB2 CYS 819 HB2 CYS 819 3.868 -2.686 -0.458
304 HB3 CYS 819 HB1 CYS 819 3.855 -1.091 -1.183
305 H SER 820 HN SER 820 5.135 -1.411 3.175
306 HA SER 820 HA SER 820 4.503 -3.107 4.461
307 HB2 SER 820 HB2 SER 820 4.424 -5.410 3.859
308 HB3 SER 820 HB1 SER 820 3.829 -4.498 2.473
309 HG SER 820 HG SER 820 5.965 -4.735 1.568
310 H MET 821 HN MET 821 6.376 -5.539 4.597
311 HA MET 821 HA MET 821 8.360 -4.110 6.174
312 HB2 MET 821 HB2 MET 821 7.813 -7.062 5.879
313 HB3 MET 821 HB1 MET 821 8.960 -6.353 7.004
314 HG2 MET 821 HG2 MET 821 5.993 -5.852 7.020
315 HG3 MET 821 HG1 MET 821 6.836 -6.999 8.053
316 HE1 MET 821 HE1 MET 821 5.439 -3.517 7.756
317 HE2 MET 821 HE2 MET 821 6.979 -3.147 6.984
318 HE3 MET 821 HE3 MET 821 6.595 -2.458 8.561
319 H THR 822 HN THR 822 8.513 -6.832 3.895
320 HA THR 822 HA THR 822 11.188 -7.021 3.292
321 HB THR 822 HB THR 822 8.984 -7.131 1.242
322 HG1 THR 822 HG1 THR 822 8.806 -9.339 1.931
323 HG21 THR 822 HG21 THR 822 11.645 -8.553 1.474
324 HG22 THR 822 HG22 THR 822 11.236 -7.285 0.316
325 HG23 THR 822 HG23 THR 822 10.434 -8.855 0.229
326 H CYS 823 HN CYS 823 8.951 -4.758 1.697
327 HA CYS 823 HA CYS 823 10.984 -3.768 -0.047
328 HB2 CYS 823 HB2 CYS 823 8.223 -2.841 0.605
329 HB3 CYS 823 HB1 CYS 823 9.282 -1.992 -0.525
330 H ALA 824 HN ALA 824 9.534 -2.477 2.958
331 HA ALA 824 HA ALA 824 11.003 -0.071 2.958
332 HB1 ALA 824 HB1 ALA 824 9.943 -1.646 5.291
333 HB2 ALA 824 HB2 ALA 824 9.078 -0.406 4.382
334 HB3 ALA 824 HB3 ALA 824 10.494 0.028 5.342
335 H LYS 825 HN LYS 825 11.662 -3.255 4.392
336 HA LYS 825 HA LYS 825 14.132 -2.619 5.518
337 HB2 LYS 825 HB2 LYS 825 12.959 -5.210 4.554
338 HB3 LYS 825 HB1 LYS 825 14.549 -5.123 5.296
339 HG2 LYS 825 HG2 LYS 825 13.514 -4.126 7.306
340 HG3 LYS 825 HG1 LYS 825 11.929 -4.355 6.556
341 HD2 LYS 825 HD2 LYS 825 12.501 -6.172 8.123
342 HD3 LYS 825 HD1 LYS 825 12.281 -6.750 6.470
343 HE2 LYS 825 HE2 LYS 825 14.714 -6.751 6.149
344 HE3 LYS 825 HE1 LYS 825 14.930 -6.187 7.806
345 HZ1 LYS 825 HZ1 LYS 825 15.239 -8.591 7.587
346 HZ2 LYS 825 HZ2 LYS 825 13.644 -8.753 7.037
347 HZ3 LYS 825 HZ3 LYS 825 13.944 -8.214 8.617
348 H ARG 826 HN ARG 826 13.182 -3.514 2.275
349 HA ARG 826 HA ARG 826 15.667 -4.302 1.287
350 HB2 ARG 826 HB2 ARG 826 13.384 -4.580 0.202
351 HB3 ARG 826 HB1 ARG 826 13.547 -2.923 -0.357
352 HG2 ARG 826 HG2 ARG 826 14.185 -4.435 -2.115
353 HG3 ARG 826 HG1 ARG 826 15.611 -3.561 -1.551
354 HD2 ARG 826 HD2 ARG 826 16.265 -5.476 -0.199
355 HD3 ARG 826 HD1 ARG 826 14.823 -6.348 -0.707
356 HE ARG 826 HE ARG 826 16.346 -5.547 -2.965
357 HH11 ARG 826 HH11 ARG 826 16.359 -7.838 -0.324
358 HH12 ARG 826 HH12 ARG 826 17.256 -9.044 -1.195
359 HH21 ARG 826 HH21 ARG 826 17.548 -7.105 -4.108
360 HH22 ARG 826 HH22 ARG 826 17.946 -8.618 -3.353
361 H TYR 827 HN TYR 827 14.273 -1.190 1.864
362 HA TYR 827 HA TYR 827 16.419 0.184 0.445
363 HB2 TYR 827 HB2 TYR 827 14.007 0.986 0.321
364 HB3 TYR 827 HB1 TYR 827 14.133 1.411 2.022
365 HD1 TYR 827 HD1 TYR 827 15.783 2.061 -1.256
366 HD2 TYR 827 HD2 TYR 827 14.802 3.553 2.604
367 HE1 TYR 827 HE1 TYR 827 16.654 4.267 -1.893
368 HE2 TYR 827 HE2 TYR 827 15.674 5.764 1.979
369 HH TYR 827 HH TYR 827 17.295 6.709 0.353
370 H ASN 828 HN ASN 828 16.800 -1.493 2.879
371 HA ASN 828 HA ASN 828 17.815 0.381 4.795
372 HB2 ASN 828 HB2 ASN 828 18.752 -1.468 5.975
373 HB3 ASN 828 HB1 ASN 828 17.182 -1.981 5.386
374 HD21 ASN 828 HD21 ASN 828 18.191 -2.450 2.652
375 HD22 ASN 828 HD22 ASN 828 19.118 -3.904 2.742
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -24.190 6.668 -4.874
2 H2 GLY 1 HT2 GLY 1 -23.479 7.849 -3.892
3 H3 GLY 1 HT3 GLY 1 -24.959 7.154 -3.443
4 HA2 GLY 1 HA1 GLY 1 -23.189 6.219 -2.118
5 HA3 GLY 1 HA2 GLY 1 -23.883 4.996 -3.173
6 H THR 2 HN THR 2 -22.305 3.680 -3.786
7 HA THR 2 HA THR 2 -20.383 2.912 -4.706
8 HB THR 2 HB THR 2 -20.198 5.641 -6.005
9 HG1 THR 2 HG1 THR 2 -22.084 4.972 -6.781
10 HG21 THR 2 HG21 THR 2 -19.159 2.939 -6.884
11 HG22 THR 2 HG22 THR 2 -18.175 4.249 -6.233
12 HG23 THR 2 HG23 THR 2 -19.004 4.453 -7.775
13 H ARG 3 HN ARG 3 -19.804 3.223 -2.321
14 HA ARG 3 HA ARG 3 -17.461 4.975 -2.055
15 HB2 ARG 3 HB2 ARG 3 -17.593 4.322 0.380
16 HB3 ARG 3 HB1 ARG 3 -18.945 5.267 -0.221
17 HG2 ARG 3 HG2 ARG 3 -20.226 3.143 -0.475
18 HG3 ARG 3 HG1 ARG 3 -18.891 2.308 0.322
19 HD2 ARG 3 HD2 ARG 3 -20.780 2.933 1.843
20 HD3 ARG 3 HD1 ARG 3 -19.205 3.562 2.333
21 HE ARG 3 HE ARG 3 -19.888 5.721 1.465
22 HH11 ARG 3 HH11 ARG 3 -22.420 3.366 2.012
23 HH12 ARG 3 HH12 ARG 3 -23.689 4.555 2.039
24 HH21 ARG 3 HH21 ARG 3 -21.542 7.276 1.482
25 HH22 ARG 3 HH22 ARG 3 -23.193 6.771 1.713
26 H GLY 783 HN GLY 783 -18.425 1.807 -2.652
27 HA2 GLY 783 HA2 GLY 783 -15.618 0.925 -2.401
28 HA3 GLY 783 HA1 GLY 783 -16.966 -0.141 -2.015
29 H VAL 784 HN VAL 784 -15.557 1.777 -4.630
30 HA VAL 784 HA VAL 784 -17.043 0.193 -6.575
31 HB VAL 784 HB VAL 784 -17.126 2.578 -6.945
32 HG11 VAL 784 HG11 VAL 784 -15.113 3.868 -7.541
33 HG12 VAL 784 HG12 VAL 784 -14.118 2.479 -7.105
34 HG13 VAL 784 HG13 VAL 784 -15.085 3.292 -5.874
35 HG21 VAL 784 HG21 VAL 784 -16.351 2.676 -9.267
36 HG22 VAL 784 HG22 VAL 784 -17.149 1.144 -8.910
37 HG23 VAL 784 HG23 VAL 784 -15.390 1.220 -9.002
38 H ASP 785 HN ASP 785 -16.205 -1.511 -7.461
39 HA ASP 785 HA ASP 785 -14.749 -3.131 -8.078
40 HB2 ASP 785 HB2 ASP 785 -13.482 -0.625 -9.130
41 HB3 ASP 785 HB1 ASP 785 -12.692 -2.183 -9.359
42 H SER 786 HN SER 786 -14.501 -2.427 -5.399
43 HA SER 786 HA SER 786 -11.739 -2.221 -4.686
44 HB2 SER 786 HB2 SER 786 -14.124 -3.022 -2.996
45 HB3 SER 786 HB1 SER 786 -12.548 -2.504 -2.398
46 HG SER 786 HG SER 786 -13.158 -0.517 -2.629
47 HA PRO 787 HA PRO 787 -10.814 -6.627 -5.173
48 HB2 PRO 787 HB2 PRO 787 -8.477 -5.747 -3.567
49 HB3 PRO 787 HB1 PRO 787 -8.519 -6.631 -5.095
50 HG2 PRO 787 HG2 PRO 787 -7.799 -4.056 -4.986
51 HG3 PRO 787 HG1 PRO 787 -8.719 -4.710 -6.354
52 HD2 PRO 787 HD2 PRO 787 -9.642 -3.021 -4.077
53 HD3 PRO 787 HD1 PRO 787 -10.168 -3.020 -5.772
54 H SER 788 HN SER 788 -9.870 -4.925 -2.192
55 HA SER 788 HA SER 788 -11.229 -6.982 -0.608
56 HB2 SER 788 HB2 SER 788 -8.918 -6.349 0.055
57 HB3 SER 788 HB1 SER 788 -9.460 -4.689 0.295
58 HG SER 788 HG SER 788 -10.138 -7.013 1.760
59 H ALA 789 HN ALA 789 -13.132 -6.601 0.290
60 HA ALA 789 HA ALA 789 -14.729 -4.493 -0.606
61 HB1 ALA 789 HB1 ALA 789 -16.435 -5.350 0.879
62 HB2 ALA 789 HB2 ALA 789 -15.228 -6.283 1.765
63 HB3 ALA 789 HB3 ALA 789 -15.593 -6.682 0.086
64 H GLU 790 HN GLU 790 -12.823 -4.819 2.319
65 HA GLU 790 HA GLU 790 -13.793 -2.160 3.140
66 HB2 GLU 790 HB2 GLU 790 -12.628 -4.344 4.860
67 HB3 GLU 790 HB1 GLU 790 -13.084 -2.740 5.417
68 HG2 GLU 790 HG2 GLU 790 -14.960 -4.780 4.242
69 HG3 GLU 790 HG1 GLU 790 -14.766 -4.430 5.957
70 H LEU 791 HN LEU 791 -10.878 -4.143 2.692
71 HA LEU 791 HA LEU 791 -9.171 -2.080 3.694
72 HB2 LEU 791 HB2 LEU 791 -8.493 -4.546 2.103
73 HB3 LEU 791 HB1 LEU 791 -7.307 -3.463 2.808
74 HG LEU 791 HG LEU 791 -9.310 -5.129 4.329
75 HD11 LEU 791 HD11 LEU 791 -7.323 -6.327 5.129
76 HD12 LEU 791 HD12 LEU 791 -6.322 -5.368 4.036
77 HD13 LEU 791 HD13 LEU 791 -7.536 -6.470 3.385
78 HD21 LEU 791 HD21 LEU 791 -8.147 -4.362 6.331
79 HD22 LEU 791 HD22 LEU 791 -8.874 -3.014 5.458
80 HD23 LEU 791 HD23 LEU 791 -7.137 -3.302 5.345
81 H ASP 792 HN ASP 792 -10.709 -2.644 0.803
82 HA ASP 792 HA ASP 792 -9.124 -0.526 -0.491
83 HB2 ASP 792 HB2 ASP 792 -10.584 -2.853 -1.736
84 HB3 ASP 792 HB1 ASP 792 -10.153 -1.422 -2.664
85 H LYS 793 HN LYS 793 -11.505 -0.650 1.373
86 HA LYS 793 HA LYS 793 -13.708 0.413 -0.071
87 HB2 LYS 793 HB2 LYS 793 -13.630 -0.655 2.306
88 HB3 LYS 793 HB1 LYS 793 -13.191 0.961 2.834
89 HG2 LYS 793 HG2 LYS 793 -15.282 1.810 1.793
90 HG3 LYS 793 HG1 LYS 793 -15.729 0.136 1.444
91 HD2 LYS 793 HD2 LYS 793 -15.360 -0.279 3.947
92 HD3 LYS 793 HD1 LYS 793 -15.404 1.478 4.110
93 HE2 LYS 793 HE2 LYS 793 -17.599 0.639 4.543
94 HE3 LYS 793 HE1 LYS 793 -17.627 1.450 2.977
95 HZ1 LYS 793 HZ1 LYS 793 -17.367 -1.489 3.363
96 HZ2 LYS 793 HZ2 LYS 793 -17.502 -0.676 1.882
97 HZ3 LYS 793 HZ3 LYS 793 -18.809 -0.685 2.955
98 H LYS 794 HN LYS 794 -10.810 1.615 1.316
99 HA LYS 794 HA LYS 794 -11.538 4.381 1.273
100 HB2 LYS 794 HB2 LYS 794 -8.769 3.192 1.461
101 HB3 LYS 794 HB1 LYS 794 -9.260 4.812 1.935
102 HG2 LYS 794 HG2 LYS 794 -10.150 2.251 3.246
103 HG3 LYS 794 HG1 LYS 794 -8.925 3.357 3.864
104 HD2 LYS 794 HD2 LYS 794 -11.825 4.050 3.402
105 HD3 LYS 794 HD1 LYS 794 -11.107 3.654 4.964
106 HE2 LYS 794 HE2 LYS 794 -9.594 5.584 4.727
107 HE3 LYS 794 HE1 LYS 794 -10.376 5.989 3.199
108 HZ1 LYS 794 HZ1 LYS 794 -12.478 6.230 4.428
109 HZ2 LYS 794 HZ2 LYS 794 -11.293 7.320 4.958
110 HZ3 LYS 794 HZ3 LYS 794 -11.649 5.944 5.881
111 H ALA 795 HN ALA 795 -9.475 2.262 -0.657
112 HA ALA 795 HA ALA 795 -8.922 2.240 -2.848
113 HB1 ALA 795 HB1 ALA 795 -10.666 4.676 -3.170
114 HB2 ALA 795 HB2 ALA 795 -11.195 3.001 -3.339
115 HB3 ALA 795 HB3 ALA 795 -10.012 3.669 -4.463
116 H ASN 796 HN ASN 796 -8.023 4.479 -0.685
117 HA ASN 796 HA ASN 796 -6.476 6.229 -2.313
118 HB2 ASN 796 HB2 ASN 796 -5.508 7.052 -0.239
119 HB3 ASN 796 HB1 ASN 796 -7.247 6.900 -0.080
120 HD21 ASN 796 HD21 ASN 796 -6.817 3.867 0.258
121 HD22 ASN 796 HD22 ASN 796 -6.358 3.725 1.912
122 H LEU 797 HN LEU 797 -5.149 5.001 -3.689
123 HA LEU 797 HA LEU 797 -3.234 3.237 -2.369
124 HB2 LEU 797 HB2 LEU 797 -3.741 3.399 -5.320
125 HB3 LEU 797 HB1 LEU 797 -2.972 2.107 -4.431
126 HG LEU 797 HG LEU 797 -5.909 2.792 -4.305
127 HD11 LEU 797 HD11 LEU 797 -4.498 0.493 -5.648
128 HD12 LEU 797 HD12 LEU 797 -5.218 1.875 -6.475
129 HD13 LEU 797 HD13 LEU 797 -6.241 0.754 -5.575
130 HD21 LEU 797 HD21 LEU 797 -6.124 0.681 -3.107
131 HD22 LEU 797 HD22 LEU 797 -5.082 1.806 -2.234
132 HD23 LEU 797 HD23 LEU 797 -4.372 0.473 -3.148
133 H LEU 798 HN LEU 798 -1.079 3.496 -2.759
134 HA LEU 798 HA LEU 798 -0.078 5.351 -4.723
135 HB2 LEU 798 HB2 LEU 798 1.137 6.788 -3.311
136 HB3 LEU 798 HB1 LEU 798 -0.481 6.760 -2.661
137 HG LEU 798 HG LEU 798 0.875 6.778 -0.790
138 HD11 LEU 798 HD11 LEU 798 0.689 4.616 0.302
139 HD12 LEU 798 HD12 LEU 798 0.335 3.856 -1.249
140 HD13 LEU 798 HD13 LEU 798 -0.787 5.034 -0.567
141 HD21 LEU 798 HD21 LEU 798 2.644 4.845 -2.237
142 HD22 LEU 798 HD22 LEU 798 2.840 5.261 -0.531
143 HD23 LEU 798 HD23 LEU 798 2.996 6.509 -1.768
144 H LYS 799 HN LYS 799 2.616 5.118 -4.394
145 HA LYS 799 HA LYS 799 2.731 2.244 -4.039
146 HB2 LYS 799 HB2 LYS 799 3.725 1.793 -6.197
147 HB3 LYS 799 HB1 LYS 799 2.224 2.675 -6.428
148 HG2 LYS 799 HG2 LYS 799 4.856 4.100 -6.376
149 HG3 LYS 799 HG1 LYS 799 4.275 3.306 -7.840
150 HD2 LYS 799 HD2 LYS 799 2.180 4.649 -7.642
151 HD3 LYS 799 HD1 LYS 799 2.929 5.528 -6.306
152 HE2 LYS 799 HE2 LYS 799 4.661 6.351 -7.746
153 HE3 LYS 799 HE1 LYS 799 4.113 5.328 -9.073
154 HZ1 LYS 799 HZ1 LYS 799 2.598 7.586 -7.874
155 HZ2 LYS 799 HZ2 LYS 799 2.042 6.582 -9.123
156 HZ3 LYS 799 HZ3 LYS 799 3.380 7.591 -9.381
157 H CYS 800 HN CYS 800 4.468 1.251 -3.655
158 HA CYS 800 HA CYS 800 6.441 2.129 -2.061
159 HB2 CYS 800 HB2 CYS 800 5.740 -0.170 -2.466
160 HB3 CYS 800 HB1 CYS 800 6.346 -0.098 -4.107
161 H GLU 801 HN GLU 801 7.860 3.786 -2.497
162 HA GLU 801 HA GLU 801 8.890 4.482 -5.010
163 HB2 GLU 801 HB2 GLU 801 9.896 5.013 -2.222
164 HB3 GLU 801 HB1 GLU 801 10.669 5.679 -3.654
165 HG2 GLU 801 HG2 GLU 801 8.534 6.769 -4.256
166 HG3 GLU 801 HG1 GLU 801 7.837 6.167 -2.752
167 H TYR 802 HN TYR 802 9.393 1.581 -3.842
168 HA TYR 802 HA TYR 802 12.105 1.472 -4.955
169 HB2 TYR 802 HB2 TYR 802 11.654 0.445 -2.641
170 HB3 TYR 802 HB1 TYR 802 10.731 -0.789 -3.487
171 HD1 TYR 802 HD2 TYR 802 14.107 0.708 -3.172
172 HD2 TYR 802 HD1 TYR 802 11.823 -2.622 -4.501
173 HE1 TYR 802 HE2 TYR 802 16.180 -0.569 -3.522
174 HE2 TYR 802 HE1 TYR 802 13.887 -3.906 -4.854
175 HH TYR 802 HH TYR 802 16.905 -2.905 -3.649
176 H CYS 803 HN CYS 803 9.923 -1.269 -4.884
177 HA CYS 803 HA CYS 803 10.041 -1.802 -7.611
178 HB2 CYS 803 HB2 CYS 803 8.017 -3.254 -7.155
179 HB3 CYS 803 HB1 CYS 803 9.403 -3.537 -6.100
180 H GLY 804 HN GLY 804 7.512 -0.029 -5.894
181 HA2 GLY 804 HA2 GLY 804 6.389 1.806 -6.888
182 HA3 GLY 804 HA1 GLY 804 6.857 1.201 -8.468
183 H LYS 805 HN LYS 805 5.458 -0.972 -6.157
184 HA LYS 805 HA LYS 805 3.182 -1.342 -7.913
185 HB2 LYS 805 HB2 LYS 805 3.864 -3.408 -7.221
186 HB3 LYS 805 HB1 LYS 805 4.396 -2.841 -5.645
187 HG2 LYS 805 HG2 LYS 805 2.186 -2.818 -4.817
188 HG3 LYS 805 HG1 LYS 805 1.503 -3.058 -6.427
189 HD2 LYS 805 HD2 LYS 805 1.409 -5.131 -5.195
190 HD3 LYS 805 HD1 LYS 805 2.572 -5.282 -6.511
191 HE2 LYS 805 HE2 LYS 805 4.406 -4.912 -4.946
192 HE3 LYS 805 HE1 LYS 805 3.249 -4.722 -3.627
193 HZ1 LYS 805 HZ1 LYS 805 2.532 -6.992 -3.941
194 HZ2 LYS 805 HZ2 LYS 805 4.207 -6.952 -3.695
195 HZ3 LYS 805 HZ3 LYS 805 3.590 -7.181 -5.256
196 H TYR 806 HN TYR 806 1.079 -0.960 -7.393
197 HA TYR 806 HA TYR 806 0.672 1.204 -5.484
198 HB2 TYR 806 HB2 TYR 806 -0.942 0.034 -7.719
199 HB3 TYR 806 HB1 TYR 806 -1.732 1.007 -6.488
200 HD1 TYR 806 HD2 TYR 806 -1.136 3.387 -6.223
201 HD2 TYR 806 HD1 TYR 806 0.433 1.049 -9.414
202 HE1 TYR 806 HE2 TYR 806 -0.511 5.439 -7.413
203 HE2 TYR 806 HE1 TYR 806 1.059 3.106 -10.613
204 HH TYR 806 HH TYR 806 0.267 5.543 -10.627
205 H ALA 807 HN ALA 807 -0.412 1.132 -3.691
206 HA ALA 807 HA ALA 807 -2.013 -1.161 -2.940
207 HB1 ALA 807 HB1 ALA 807 0.581 -0.580 -1.513
208 HB2 ALA 807 HB2 ALA 807 0.256 -1.980 -2.533
209 HB3 ALA 807 HB3 ALA 807 -0.627 -1.768 -1.022
210 HA PRO 808 HA PRO 808 -3.966 1.844 -0.373
211 HB2 PRO 808 HB2 PRO 808 -4.207 -0.254 1.706
212 HB3 PRO 808 HB1 PRO 808 -5.480 0.665 0.894
213 HG2 PRO 808 HG2 PRO 808 -5.073 -1.909 0.326
214 HG3 PRO 808 HG1 PRO 808 -5.503 -0.748 -0.942
215 HD2 PRO 808 HD2 PRO 808 -2.826 -1.908 -0.273
216 HD3 PRO 808 HD1 PRO 808 -3.560 -1.609 -1.863
217 H ALA 809 HN ALA 809 -3.040 3.360 0.752
218 HA ALA 809 HA ALA 809 -0.595 3.463 1.854
219 HB1 ALA 809 HB1 ALA 809 -2.963 4.924 3.000
220 HB2 ALA 809 HB2 ALA 809 -2.112 5.367 1.521
221 HB3 ALA 809 HB3 ALA 809 -1.272 5.420 3.072
222 H GLU 810 HN GLU 810 -3.302 1.918 3.349
223 HA GLU 810 HA GLU 810 -2.633 1.934 6.072
224 HB2 GLU 810 HB2 GLU 810 -4.670 0.918 4.602
225 HB3 GLU 810 HB1 GLU 810 -3.778 -0.555 4.940
226 HG2 GLU 810 HG2 GLU 810 -4.861 1.371 6.982
227 HG3 GLU 810 HG1 GLU 810 -5.547 -0.193 6.560
228 H GLN 811 HN GLN 811 -1.389 0.056 3.393
229 HA GLN 811 HA GLN 811 -0.209 -1.966 5.043
230 HB2 GLN 811 HB2 GLN 811 -1.016 -2.632 2.911
231 HB3 GLN 811 HB1 GLN 811 -0.160 -1.332 2.100
232 HG2 GLN 811 HG2 GLN 811 1.975 -2.434 2.722
233 HG3 GLN 811 HG1 GLN 811 1.032 -3.791 3.346
234 HE21 GLN 811 HE21 GLN 811 1.831 -1.940 0.496
235 HE22 GLN 811 HE22 GLN 811 1.396 -3.155 -0.655
236 H PHE 812 HN PHE 812 0.794 1.009 3.504
237 HA PHE 812 HA PHE 812 3.543 0.781 3.836
238 HB2 PHE 812 HB2 PHE 812 1.711 3.174 3.720
239 HB3 PHE 812 HB1 PHE 812 3.467 3.314 3.755
240 HD1 PHE 812 HD1 PHE 812 0.980 1.213 1.903
241 HD2 PHE 812 HD2 PHE 812 4.395 3.741 1.717
242 HE1 PHE 812 HE1 PHE 812 1.075 0.897 -0.533
243 HE2 PHE 812 HE2 PHE 812 4.499 3.425 -0.718
244 HZ PHE 812 HZ PHE 812 2.838 1.999 -1.848
245 H ARG 813 HN ARG 813 2.957 -0.327 6.032
246 HA ARG 813 HA ARG 813 2.898 1.396 8.368
247 HB2 ARG 813 HB2 ARG 813 3.398 -1.578 8.119
248 HB3 ARG 813 HB1 ARG 813 2.977 -0.697 9.585
249 HG2 ARG 813 HG2 ARG 813 0.805 -0.193 8.756
250 HG3 ARG 813 HG1 ARG 813 1.211 -0.820 7.160
251 HD2 ARG 813 HD2 ARG 813 1.506 -3.064 8.181
252 HD3 ARG 813 HD1 ARG 813 0.938 -2.395 9.713
253 HE ARG 813 HE ARG 813 -1.116 -1.760 8.270
254 HH11 ARG 813 HH11 ARG 813 0.779 -4.696 7.935
255 HH12 ARG 813 HH12 ARG 813 -0.558 -5.623 7.322
256 HH21 ARG 813 HH21 ARG 813 -2.857 -2.981 7.466
257 HH22 ARG 813 HH22 ARG 813 -2.609 -4.660 7.062
258 H GLY 814 HN GLY 814 4.569 1.750 9.775
259 HA2 GLY 814 HA2 GLY 814 6.803 1.705 10.504
260 HA3 GLY 814 HA1 GLY 814 7.241 0.819 9.049
261 H SER 815 HN SER 815 6.291 2.395 7.064
262 HA SER 815 HA SER 815 7.050 5.142 7.397
263 HB2 SER 815 HB2 SER 815 8.916 4.959 5.664
264 HB3 SER 815 HB1 SER 815 9.292 4.363 7.279
265 HG SER 815 HG SER 815 8.254 2.351 5.900
266 H LYS 816 HN LYS 816 5.895 6.327 6.042
267 HA LYS 816 HA LYS 816 4.311 5.032 3.995
268 HB2 LYS 816 HB2 LYS 816 4.498 7.900 4.928
269 HB3 LYS 816 HB1 LYS 816 3.469 7.405 3.597
270 HG2 LYS 816 HG2 LYS 816 2.066 7.526 5.480
271 HG3 LYS 816 HG1 LYS 816 2.355 5.807 5.218
272 HD2 LYS 816 HD2 LYS 816 4.069 5.836 6.973
273 HD3 LYS 816 HD1 LYS 816 3.770 7.554 7.230
274 HE2 LYS 816 HE2 LYS 816 1.751 5.349 7.607
275 HE3 LYS 816 HE1 LYS 816 2.633 6.162 8.899
276 HZ1 LYS 816 HZ1 LYS 816 1.607 8.269 8.117
277 HZ2 LYS 816 HZ2 LYS 816 0.492 7.149 8.729
278 HZ3 LYS 816 HZ3 LYS 816 0.639 7.364 7.054
279 H ARG 817 HN ARG 817 6.600 4.462 3.113
280 HA ARG 817 HA ARG 817 7.375 6.328 0.940
281 HB2 ARG 817 HB2 ARG 817 9.157 4.863 2.885
282 HB3 ARG 817 HB1 ARG 817 9.716 5.567 1.378
283 HG2 ARG 817 HG2 ARG 817 9.121 7.787 2.172
284 HG3 ARG 817 HG1 ARG 817 8.501 7.094 3.676
285 HD2 ARG 817 HD2 ARG 817 10.674 6.280 4.265
286 HD3 ARG 817 HD1 ARG 817 11.328 6.745 2.699
287 HE ARG 817 HE ARG 817 10.337 9.054 3.925
288 HH11 ARG 817 HH11 ARG 817 12.815 6.641 4.498
289 HH12 ARG 817 HH12 ARG 817 13.931 7.761 5.220
290 HH21 ARG 817 HH21 ARG 817 11.809 10.541 4.881
291 HH22 ARG 817 HH22 ARG 817 13.350 9.972 5.455
292 H PHE 818 HN PHE 818 7.185 3.125 2.330
293 HA PHE 818 HA PHE 818 7.436 1.931 -0.340
294 HB2 PHE 818 HB2 PHE 818 8.773 0.930 2.183
295 HB3 PHE 818 HB1 PHE 818 8.835 0.167 0.597
296 HD1 PHE 818 HD2 PHE 818 9.820 1.585 -1.326
297 HD2 PHE 818 HD1 PHE 818 10.396 2.447 2.804
298 HE1 PHE 818 HE2 PHE 818 11.779 2.961 -1.889
299 HE2 PHE 818 HE1 PHE 818 12.352 3.825 2.245
300 HZ PHE 818 HZ PHE 818 13.047 4.082 -0.102
301 H CYS 819 HN CYS 819 6.491 -0.303 -0.279
302 HA CYS 819 HA CYS 819 4.209 -0.546 1.436
303 HB2 CYS 819 HB2 CYS 819 4.288 -2.930 0.320
304 HB3 CYS 819 HB1 CYS 819 3.839 -1.545 -0.644
305 H SER 820 HN SER 820 4.883 -3.519 1.942
306 HA SER 820 HA SER 820 5.071 -2.740 4.709
307 HB2 SER 820 HB2 SER 820 4.724 -5.161 5.084
308 HB3 SER 820 HB1 SER 820 3.507 -4.408 4.050
309 HG SER 820 HG SER 820 4.485 -6.516 3.375
310 H MET 821 HN MET 821 6.574 -5.743 4.457
311 HA MET 821 HA MET 821 8.627 -4.468 6.064
312 HB2 MET 821 HB2 MET 821 8.008 -7.380 5.574
313 HB3 MET 821 HB1 MET 821 9.252 -6.800 6.667
314 HG2 MET 821 HG2 MET 821 6.308 -6.233 6.923
315 HG3 MET 821 HG1 MET 821 7.199 -7.452 7.829
316 HE1 MET 821 HE1 MET 821 7.035 -2.955 8.636
317 HE2 MET 821 HE2 MET 821 5.808 -3.968 7.874
318 HE3 MET 821 HE3 MET 821 7.273 -3.544 6.991
319 H THR 822 HN THR 822 8.758 -7.028 3.624
320 HA THR 822 HA THR 822 11.459 -7.185 3.131
321 HB THR 822 HB THR 822 9.365 -7.280 0.973
322 HG1 THR 822 HG1 THR 822 8.522 -8.680 2.395
323 HG21 THR 822 HG21 THR 822 11.644 -7.462 0.160
324 HG22 THR 822 HG22 THR 822 10.861 -9.041 0.065
325 HG23 THR 822 HG23 THR 822 12.006 -8.700 1.362
326 H CYS 823 HN CYS 823 9.252 -4.825 1.631
327 HA CYS 823 HA CYS 823 11.277 -3.860 -0.119
328 HB2 CYS 823 HB2 CYS 823 8.496 -2.947 0.530
329 HB3 CYS 823 HB1 CYS 823 9.539 -2.096 -0.616
330 H ALA 824 HN ALA 824 9.683 -2.452 2.758
331 HA ALA 824 HA ALA 824 11.116 -0.060 2.783
332 HB1 ALA 824 HB1 ALA 824 10.551 0.015 5.183
333 HB2 ALA 824 HB2 ALA 824 9.973 -1.651 5.069
334 HB3 ALA 824 HB3 ALA 824 9.171 -0.368 4.157
335 H LYS 825 HN LYS 825 11.815 -3.217 4.211
336 HA LYS 825 HA LYS 825 14.151 -2.463 5.564
337 HB2 LYS 825 HB2 LYS 825 13.349 -5.174 4.506
338 HB3 LYS 825 HB1 LYS 825 14.662 -4.877 5.636
339 HG2 LYS 825 HG2 LYS 825 11.712 -4.614 6.077
340 HG3 LYS 825 HG1 LYS 825 12.893 -5.566 6.981
341 HD2 LYS 825 HD2 LYS 825 12.721 -2.559 6.911
342 HD3 LYS 825 HD1 LYS 825 12.179 -3.590 8.235
343 HE2 LYS 825 HE2 LYS 825 14.444 -4.352 8.632
344 HE3 LYS 825 HE1 LYS 825 15.021 -3.461 7.224
345 HZ1 LYS 825 HZ1 LYS 825 14.364 -1.396 8.338
346 HZ2 LYS 825 HZ2 LYS 825 15.520 -2.258 9.231
347 HZ3 LYS 825 HZ3 LYS 825 13.896 -2.279 9.710
348 H ARG 826 HN ARG 826 13.596 -3.624 2.268
349 HA ARG 826 HA ARG 826 16.269 -4.329 1.824
350 HB2 ARG 826 HB2 ARG 826 14.373 -5.241 0.530
351 HB3 ARG 826 HB1 ARG 826 14.167 -3.678 -0.245
352 HG2 ARG 826 HG2 ARG 826 15.330 -5.037 -1.778
353 HG3 ARG 826 HG1 ARG 826 16.521 -3.922 -1.108
354 HD2 ARG 826 HD2 ARG 826 16.097 -6.799 -0.302
355 HD3 ARG 826 HD1 ARG 826 17.439 -6.172 -1.256
356 HE ARG 826 HE ARG 826 17.795 -4.758 0.918
357 HH11 ARG 826 HH11 ARG 826 16.978 -8.141 0.622
358 HH12 ARG 826 HH12 ARG 826 17.561 -8.569 2.199
359 HH21 ARG 826 HH21 ARG 826 18.583 -5.281 2.997
360 HH22 ARG 826 HH22 ARG 826 18.469 -6.926 3.570
361 H TYR 827 HN TYR 827 14.583 -1.320 1.587
362 HA TYR 827 HA TYR 827 16.555 -0.166 -0.184
363 HB2 TYR 827 HB2 TYR 827 14.176 0.547 -0.344
364 HB3 TYR 827 HB1 TYR 827 14.261 1.162 1.298
365 HD1 TYR 827 HD2 TYR 827 15.419 3.263 1.782
366 HD2 TYR 827 HD1 TYR 827 15.138 1.770 -2.193
367 HE1 TYR 827 HE2 TYR 827 16.023 5.481 0.915
368 HE2 TYR 827 HE1 TYR 827 15.734 3.988 -3.070
369 HH TYR 827 HH TYR 827 15.723 6.286 -2.415
370 H ASN 828 HN ASN 828 16.114 -0.608 3.127
371 HA ASN 828 HA ASN 828 18.096 1.410 3.825
372 HB2 ASN 828 HB2 ASN 828 16.399 -0.458 5.477
373 HB3 ASN 828 HB1 ASN 828 17.687 0.523 6.178
374 HD21 ASN 828 HD21 ASN 828 14.630 0.605 4.475
375 HD22 ASN 828 HD22 ASN 828 14.209 2.220 4.926
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -23.080 10.112 -8.574
2 H2 GLY 1 HT2 GLY 1 -22.392 8.808 -9.416
3 H3 GLY 1 HT3 GLY 1 -21.399 9.892 -8.570
4 HA2 GLY 1 HA1 GLY 1 -22.294 9.182 -6.476
5 HA3 GLY 1 HA2 GLY 1 -23.409 8.111 -7.315
6 H THR 2 HN THR 2 -22.550 6.354 -6.143
7 HA THR 2 HA THR 2 -21.300 4.481 -5.919
8 HB THR 2 HB THR 2 -19.945 5.296 -8.490
9 HG1 THR 2 HG1 THR 2 -22.367 5.176 -8.467
10 HG21 THR 2 HG21 THR 2 -18.851 3.444 -7.323
11 HG22 THR 2 HG22 THR 2 -19.647 2.875 -8.788
12 HG23 THR 2 HG23 THR 2 -20.394 2.589 -7.217
13 H ARG 3 HN ARG 3 -20.205 5.124 -4.064
14 HA ARG 3 HA ARG 3 -17.462 6.115 -4.502
15 HB2 ARG 3 HB2 ARG 3 -19.135 6.171 -1.984
16 HB3 ARG 3 HB1 ARG 3 -17.471 6.727 -2.103
17 HG2 ARG 3 HG2 ARG 3 -18.258 8.355 -3.853
18 HG3 ARG 3 HG1 ARG 3 -19.907 7.901 -3.415
19 HD2 ARG 3 HD2 ARG 3 -17.829 9.050 -1.559
20 HD3 ARG 3 HD1 ARG 3 -19.193 9.926 -2.250
21 HE ARG 3 HE ARG 3 -20.624 8.306 -0.977
22 HH11 ARG 3 HH11 ARG 3 -17.340 8.957 0.046
23 HH12 ARG 3 HH12 ARG 3 -17.683 8.704 1.737
24 HH21 ARG 3 HH21 ARG 3 -21.079 8.002 1.257
25 HH22 ARG 3 HH22 ARG 3 -19.798 8.192 2.420
26 H GLY 783 HN GLY 783 -19.278 3.411 -3.860
27 HA2 GLY 783 HA2 GLY 783 -16.863 1.935 -3.097
28 HA3 GLY 783 HA1 GLY 783 -18.306 1.744 -2.107
29 H VAL 784 HN VAL 784 -17.575 -0.532 -3.007
30 HA VAL 784 HA VAL 784 -19.475 -1.107 -5.143
31 HB VAL 784 HB VAL 784 -17.408 -0.956 -6.365
32 HG11 VAL 784 HG11 VAL 784 -15.814 -1.197 -4.561
33 HG12 VAL 784 HG12 VAL 784 -15.450 -2.340 -5.852
34 HG13 VAL 784 HG13 VAL 784 -16.242 -2.897 -4.380
35 HG21 VAL 784 HG21 VAL 784 -18.155 -3.839 -5.904
36 HG22 VAL 784 HG22 VAL 784 -17.212 -3.236 -7.266
37 HG23 VAL 784 HG23 VAL 784 -18.890 -2.732 -7.065
38 H ASP 785 HN ASP 785 -20.802 -1.920 -3.545
39 HA ASP 785 HA ASP 785 -21.624 -3.330 -1.957
40 HB2 ASP 785 HB2 ASP 785 -19.641 -5.186 -3.285
41 HB3 ASP 785 HB1 ASP 785 -20.693 -5.712 -1.978
42 H SER 786 HN SER 786 -19.823 -1.480 -1.126
43 HA SER 786 HA SER 786 -17.942 -2.871 0.650
44 HB2 SER 786 HB2 SER 786 -17.900 0.029 -0.214
45 HB3 SER 786 HB1 SER 786 -16.622 -0.848 0.627
46 HG SER 786 HG SER 786 -16.552 -2.239 -1.282
47 HA PRO 787 HA PRO 787 -20.531 -1.537 4.056
48 HB2 PRO 787 HB2 PRO 787 -18.234 -2.339 5.704
49 HB3 PRO 787 HB1 PRO 787 -19.873 -2.993 5.674
50 HG2 PRO 787 HG2 PRO 787 -17.769 -4.371 4.723
51 HG3 PRO 787 HG1 PRO 787 -19.384 -4.502 4.004
52 HD2 PRO 787 HD2 PRO 787 -17.009 -2.939 3.065
53 HD3 PRO 787 HD1 PRO 787 -18.171 -3.897 2.123
54 H SER 788 HN SER 788 -17.288 -0.564 3.371
55 HA SER 788 HA SER 788 -17.767 1.972 4.769
56 HB2 SER 788 HB2 SER 788 -16.106 0.672 6.046
57 HB3 SER 788 HB1 SER 788 -15.129 0.485 4.593
58 HG SER 788 HG SER 788 -14.633 2.252 6.205
59 H ALA 789 HN ALA 789 -16.432 3.759 3.797
60 HA ALA 789 HA ALA 789 -16.950 3.875 1.041
61 HB1 ALA 789 HB1 ALA 789 -15.149 5.657 2.674
62 HB2 ALA 789 HB2 ALA 789 -16.884 5.867 2.451
63 HB3 ALA 789 HB3 ALA 789 -15.792 6.019 1.073
64 H GLU 790 HN GLU 790 -13.714 4.242 2.500
65 HA GLU 790 HA GLU 790 -12.660 2.694 0.227
66 HB2 GLU 790 HB2 GLU 790 -11.386 5.063 1.594
67 HB3 GLU 790 HB1 GLU 790 -10.651 4.105 0.315
68 HG2 GLU 790 HG2 GLU 790 -12.417 4.774 -1.220
69 HG3 GLU 790 HG1 GLU 790 -13.197 5.694 0.064
70 H LEU 791 HN LEU 791 -12.638 3.169 3.664
71 HA LEU 791 HA LEU 791 -10.094 2.000 4.101
72 HB2 LEU 791 HB2 LEU 791 -12.338 2.678 5.970
73 HB3 LEU 791 HB1 LEU 791 -10.886 1.873 6.529
74 HG LEU 791 HG LEU 791 -9.583 3.857 5.605
75 HD11 LEU 791 HD11 LEU 791 -10.795 5.945 5.327
76 HD12 LEU 791 HD12 LEU 791 -12.327 5.100 5.549
77 HD13 LEU 791 HD13 LEU 791 -11.322 4.749 4.143
78 HD21 LEU 791 HD21 LEU 791 -10.059 5.237 7.568
79 HD22 LEU 791 HD22 LEU 791 -9.963 3.524 7.977
80 HD23 LEU 791 HD23 LEU 791 -11.535 4.316 7.855
81 H ASP 792 HN ASP 792 -13.104 0.723 3.530
82 HA ASP 792 HA ASP 792 -12.056 -1.958 4.084
83 HB2 ASP 792 HB2 ASP 792 -13.847 -1.372 5.740
84 HB3 ASP 792 HB1 ASP 792 -14.974 -1.209 4.396
85 H LYS 793 HN LYS 793 -11.430 -1.111 1.884
86 HA LYS 793 HA LYS 793 -12.868 -2.507 -0.119
87 HB2 LYS 793 HB2 LYS 793 -14.214 -0.397 -0.001
88 HB3 LYS 793 HB1 LYS 793 -12.753 0.515 -0.351
89 HG2 LYS 793 HG2 LYS 793 -12.579 -0.691 -2.514
90 HG3 LYS 793 HG1 LYS 793 -14.132 -1.452 -2.164
91 HD2 LYS 793 HD2 LYS 793 -14.497 0.442 -3.610
92 HD3 LYS 793 HD1 LYS 793 -15.151 0.812 -2.012
93 HE2 LYS 793 HE2 LYS 793 -13.177 2.115 -1.479
94 HE3 LYS 793 HE1 LYS 793 -12.448 1.690 -3.026
95 HZ1 LYS 793 HZ1 LYS 793 -14.888 3.326 -2.604
96 HZ2 LYS 793 HZ2 LYS 793 -14.321 2.828 -4.124
97 HZ3 LYS 793 HZ3 LYS 793 -13.384 3.872 -3.171
98 H LYS 794 HN LYS 794 -10.552 -0.006 0.718
99 HA LYS 794 HA LYS 794 -8.381 0.307 0.274
100 HB2 LYS 794 HB2 LYS 794 -8.497 -2.597 -0.539
101 HB3 LYS 794 HB1 LYS 794 -7.009 -1.655 -0.544
102 HG2 LYS 794 HG2 LYS 794 -6.957 -2.767 1.498
103 HG3 LYS 794 HG1 LYS 794 -7.534 -1.154 1.911
104 HD2 LYS 794 HD2 LYS 794 -9.887 -2.149 1.700
105 HD3 LYS 794 HD1 LYS 794 -9.088 -3.719 1.744
106 HE2 LYS 794 HE2 LYS 794 -8.938 -1.570 3.858
107 HE3 LYS 794 HE1 LYS 794 -9.853 -3.072 3.965
108 HZ1 LYS 794 HZ1 LYS 794 -7.744 -3.166 5.165
109 HZ2 LYS 794 HZ2 LYS 794 -6.896 -2.897 3.724
110 HZ3 LYS 794 HZ3 LYS 794 -7.805 -4.315 3.919
111 H ALA 795 HN ALA 795 -8.618 1.839 -1.129
112 HA ALA 795 HA ALA 795 -7.875 1.435 -3.853
113 HB1 ALA 795 HB1 ALA 795 -9.897 2.415 -4.857
114 HB2 ALA 795 HB2 ALA 795 -10.684 2.409 -3.280
115 HB3 ALA 795 HB3 ALA 795 -10.259 0.884 -4.057
116 H ASN 796 HN ASN 796 -6.571 2.595 -2.055
117 HA ASN 796 HA ASN 796 -6.668 5.454 -2.495
118 HB2 ASN 796 HB2 ASN 796 -6.468 5.862 -0.001
119 HB3 ASN 796 HB1 ASN 796 -8.058 5.317 -0.525
120 HD21 ASN 796 HD21 ASN 796 -5.391 4.720 1.488
121 HD22 ASN 796 HD22 ASN 796 -5.942 3.219 2.157
122 H LEU 797 HN LEU 797 -5.008 4.181 -3.699
123 HA LEU 797 HA LEU 797 -2.812 3.023 -2.174
124 HB2 LEU 797 HB2 LEU 797 -2.979 3.205 -5.143
125 HB3 LEU 797 HB1 LEU 797 -2.196 1.990 -4.160
126 HG LEU 797 HG LEU 797 -5.185 2.313 -4.431
127 HD11 LEU 797 HD11 LEU 797 -4.166 1.599 -6.526
128 HD12 LEU 797 HD12 LEU 797 -5.089 0.288 -5.791
129 HD13 LEU 797 HD13 LEU 797 -3.328 0.297 -5.683
130 HD21 LEU 797 HD21 LEU 797 -4.523 1.333 -2.303
131 HD22 LEU 797 HD22 LEU 797 -3.532 0.143 -3.149
132 HD23 LEU 797 HD23 LEU 797 -5.285 0.129 -3.341
133 H LEU 798 HN LEU 798 -0.735 3.584 -2.345
134 HA LEU 798 HA LEU 798 0.155 5.570 -4.263
135 HB2 LEU 798 HB2 LEU 798 1.317 6.957 -2.738
136 HB3 LEU 798 HB1 LEU 798 -0.307 6.829 -2.117
137 HG LEU 798 HG LEU 798 1.100 6.786 -0.244
138 HD11 LEU 798 HD11 LEU 798 0.820 4.586 0.756
139 HD12 LEU 798 HD12 LEU 798 0.416 3.919 -0.826
140 HD13 LEU 798 HD13 LEU 798 -0.638 5.120 -0.080
141 HD21 LEU 798 HD21 LEU 798 2.994 5.171 -0.036
142 HD22 LEU 798 HD22 LEU 798 3.214 6.450 -1.230
143 HD23 LEU 798 HD23 LEU 798 2.786 4.823 -1.754
144 H LYS 799 HN LYS 799 2.370 5.239 -4.834
145 HA LYS 799 HA LYS 799 2.731 2.425 -4.306
146 HB2 LYS 799 HB2 LYS 799 3.615 2.055 -6.516
147 HB3 LYS 799 HB1 LYS 799 2.237 3.126 -6.703
148 HG2 LYS 799 HG2 LYS 799 5.122 3.995 -6.676
149 HG3 LYS 799 HG1 LYS 799 4.128 3.780 -8.118
150 HD2 LYS 799 HD2 LYS 799 2.646 5.548 -7.407
151 HD3 LYS 799 HD1 LYS 799 3.512 5.704 -5.878
152 HE2 LYS 799 HE2 LYS 799 5.539 6.355 -7.132
153 HE3 LYS 799 HE1 LYS 799 4.607 6.275 -8.628
154 HZ1 LYS 799 HZ1 LYS 799 3.162 8.010 -7.788
155 HZ2 LYS 799 HZ2 LYS 799 4.771 8.540 -7.796
156 HZ3 LYS 799 HZ3 LYS 799 4.041 8.079 -6.336
157 H CYS 800 HN CYS 800 4.344 1.424 -3.702
158 HA CYS 800 HA CYS 800 6.457 2.151 -2.263
159 HB2 CYS 800 HB2 CYS 800 5.539 -0.075 -2.722
160 HB3 CYS 800 HB1 CYS 800 6.196 -0.023 -4.341
161 H GLU 801 HN GLU 801 7.860 3.774 -2.792
162 HA GLU 801 HA GLU 801 8.780 4.447 -5.350
163 HB2 GLU 801 HB2 GLU 801 8.783 5.844 -3.235
164 HB3 GLU 801 HB1 GLU 801 10.236 4.976 -2.763
165 HG2 GLU 801 HG2 GLU 801 11.308 5.779 -4.867
166 HG3 GLU 801 HG1 GLU 801 9.880 6.775 -5.148
167 H TYR 802 HN TYR 802 9.454 1.559 -4.021
168 HA TYR 802 HA TYR 802 12.242 1.575 -4.951
169 HB2 TYR 802 HB2 TYR 802 11.711 0.679 -2.619
170 HB3 TYR 802 HB1 TYR 802 10.899 -0.663 -3.414
171 HD1 TYR 802 HD2 TYR 802 14.151 0.944 -2.806
172 HD2 TYR 802 HD1 TYR 802 12.163 -2.440 -4.450
173 HE1 TYR 802 HE2 TYR 802 16.300 -0.236 -2.962
174 HE2 TYR 802 HE1 TYR 802 14.312 -3.626 -4.613
175 HH TYR 802 HH TYR 802 17.205 -2.402 -3.140
176 H CYS 803 HN CYS 803 9.249 -0.322 -5.213
177 HA CYS 803 HA CYS 803 10.254 -1.380 -7.782
178 HB2 CYS 803 HB2 CYS 803 8.549 -3.220 -7.354
179 HB3 CYS 803 HB1 CYS 803 9.911 -3.193 -6.236
180 H GLY 804 HN GLY 804 7.707 0.456 -6.338
181 HA2 GLY 804 HA2 GLY 804 6.579 2.050 -7.645
182 HA3 GLY 804 HA1 GLY 804 6.910 1.073 -9.064
183 H LYS 805 HN LYS 805 5.730 -0.638 -6.346
184 HA LYS 805 HA LYS 805 3.369 -1.264 -7.884
185 HB2 LYS 805 HB2 LYS 805 4.483 -2.458 -5.339
186 HB3 LYS 805 HB1 LYS 805 3.018 -3.025 -6.134
187 HG2 LYS 805 HG2 LYS 805 5.777 -2.996 -7.349
188 HG3 LYS 805 HG1 LYS 805 4.951 -4.411 -6.689
189 HD2 LYS 805 HD2 LYS 805 3.261 -4.298 -8.369
190 HD3 LYS 805 HD1 LYS 805 3.841 -2.730 -8.930
191 HE2 LYS 805 HE2 LYS 805 4.520 -4.507 -10.448
192 HE3 LYS 805 HE1 LYS 805 5.917 -3.759 -9.680
193 HZ1 LYS 805 HZ1 LYS 805 6.255 -5.616 -8.327
194 HZ2 LYS 805 HZ2 LYS 805 5.880 -6.274 -9.844
195 HZ3 LYS 805 HZ3 LYS 805 4.706 -6.241 -8.618
196 H TYR 806 HN TYR 806 1.293 -0.755 -7.288
197 HA TYR 806 HA TYR 806 0.987 1.303 -5.229
198 HB2 TYR 806 HB2 TYR 806 -0.875 0.226 -7.351
199 HB3 TYR 806 HB1 TYR 806 -1.361 1.413 -6.147
200 HD1 TYR 806 HD1 TYR 806 0.802 0.825 -9.079
201 HD2 TYR 806 HD2 TYR 806 -0.734 3.704 -6.346
202 HE1 TYR 806 HE1 TYR 806 1.636 2.634 -10.522
203 HE2 TYR 806 HE2 TYR 806 0.097 5.518 -7.780
204 HH TYR 806 HH TYR 806 1.186 4.987 -10.971
205 H ALA 807 HN ALA 807 0.105 1.022 -3.354
206 HA ALA 807 HA ALA 807 -1.523 -1.337 -2.783
207 HB1 ALA 807 HB1 ALA 807 -0.117 -2.008 -0.900
208 HB2 ALA 807 HB2 ALA 807 1.027 -0.721 -1.283
209 HB3 ALA 807 HB3 ALA 807 0.798 -2.061 -2.407
210 HA PRO 808 HA PRO 808 -3.723 1.460 -0.248
211 HB2 PRO 808 HB2 PRO 808 -3.997 -0.617 1.838
212 HB3 PRO 808 HB1 PRO 808 -5.249 0.181 0.881
213 HG2 PRO 808 HG2 PRO 808 -4.563 -2.380 0.455
214 HG3 PRO 808 HG1 PRO 808 -5.046 -1.306 -0.870
215 HD2 PRO 808 HD2 PRO 808 -2.313 -2.200 -0.054
216 HD3 PRO 808 HD1 PRO 808 -2.986 -1.968 -1.682
217 H ALA 809 HN ALA 809 -3.058 3.021 0.962
218 HA ALA 809 HA ALA 809 -0.644 3.345 2.112
219 HB1 ALA 809 HB1 ALA 809 -2.229 5.143 1.721
220 HB2 ALA 809 HB2 ALA 809 -1.553 5.233 3.348
221 HB3 ALA 809 HB3 ALA 809 -3.188 4.616 3.102
222 H GLU 810 HN GLU 810 -3.380 1.804 3.616
223 HA GLU 810 HA GLU 810 -2.795 1.791 6.307
224 HB2 GLU 810 HB2 GLU 810 -4.851 0.886 5.558
225 HB3 GLU 810 HB1 GLU 810 -4.056 -0.249 4.481
226 HG2 GLU 810 HG2 GLU 810 -4.850 -1.549 6.231
227 HG3 GLU 810 HG1 GLU 810 -3.136 -1.343 6.580
228 H GLN 811 HN GLN 811 -1.409 -0.150 3.744
229 HA GLN 811 HA GLN 811 -0.087 -1.987 5.504
230 HB2 GLN 811 HB2 GLN 811 -0.815 -2.799 3.394
231 HB3 GLN 811 HB1 GLN 811 -0.025 -1.488 2.534
232 HG2 GLN 811 HG2 GLN 811 2.156 -2.412 3.212
233 HG3 GLN 811 HG1 GLN 811 1.312 -3.771 3.958
234 HE21 GLN 811 HE21 GLN 811 1.944 -2.108 0.964
235 HE22 GLN 811 HE22 GLN 811 1.673 -3.470 -0.075
236 H PHE 812 HN PHE 812 0.735 1.002 3.897
237 HA PHE 812 HA PHE 812 3.501 0.877 4.079
238 HB2 PHE 812 HB2 PHE 812 1.559 3.134 3.842
239 HB3 PHE 812 HB1 PHE 812 3.294 3.426 3.953
240 HD1 PHE 812 HD1 PHE 812 0.789 1.461 2.046
241 HD2 PHE 812 HD2 PHE 812 4.599 3.351 2.036
242 HE1 PHE 812 HE1 PHE 812 0.992 1.037 -0.369
243 HE2 PHE 812 HE2 PHE 812 4.807 2.933 -0.377
244 HZ PHE 812 HZ PHE 812 3.086 1.675 -1.557
245 H ARG 813 HN ARG 813 2.777 -0.040 6.537
246 HA ARG 813 HA ARG 813 3.268 1.977 8.583
247 HB2 ARG 813 HB2 ARG 813 3.276 -1.042 8.748
248 HB3 ARG 813 HB1 ARG 813 3.278 0.079 10.105
249 HG2 ARG 813 HG2 ARG 813 1.082 0.883 9.486
250 HG3 ARG 813 HG1 ARG 813 1.081 -0.154 8.060
251 HD2 ARG 813 HD2 ARG 813 1.313 -2.112 9.617
252 HD3 ARG 813 HD1 ARG 813 1.033 -0.990 10.951
253 HE ARG 813 HE ARG 813 -1.097 -0.461 9.526
254 HH11 ARG 813 HH11 ARG 813 0.345 -3.567 10.224
255 HH12 ARG 813 HH12 ARG 813 -1.122 -4.456 9.971
256 HH21 ARG 813 HH21 ARG 813 -3.049 -1.605 9.247
257 HH22 ARG 813 HH22 ARG 813 -3.064 -3.343 9.441
258 H GLY 814 HN GLY 814 5.122 2.192 9.779
259 HA2 GLY 814 HA2 GLY 814 7.438 1.953 10.158
260 HA3 GLY 814 HA1 GLY 814 7.555 0.974 8.700
261 H SER 815 HN SER 815 6.552 2.406 6.746
262 HA SER 815 HA SER 815 7.300 5.166 6.824
263 HB2 SER 815 HB2 SER 815 9.022 4.906 4.972
264 HB3 SER 815 HB1 SER 815 9.528 4.353 6.569
265 HG SER 815 HG SER 815 8.292 2.449 4.991
266 H LYS 816 HN LYS 816 5.910 6.192 5.526
267 HA LYS 816 HA LYS 816 4.319 4.721 3.610
268 HB2 LYS 816 HB2 LYS 816 4.384 7.655 4.341
269 HB3 LYS 816 HB1 LYS 816 3.220 6.925 3.243
270 HG2 LYS 816 HG2 LYS 816 2.309 5.579 4.999
271 HG3 LYS 816 HG1 LYS 816 3.571 6.104 6.112
272 HD2 LYS 816 HD2 LYS 816 2.720 8.384 6.023
273 HD3 LYS 816 HD1 LYS 816 1.480 7.886 4.867
274 HE2 LYS 816 HE2 LYS 816 0.472 6.437 6.503
275 HE3 LYS 816 HE1 LYS 816 1.774 6.760 7.646
276 HZ1 LYS 816 HZ1 LYS 816 1.067 9.002 7.868
277 HZ2 LYS 816 HZ2 LYS 816 -0.305 8.026 8.064
278 HZ3 LYS 816 HZ3 LYS 816 -0.055 8.851 6.607
279 H ARG 817 HN ARG 817 6.376 4.147 2.519
280 HA ARG 817 HA ARG 817 7.108 5.931 0.307
281 HB2 ARG 817 HB2 ARG 817 9.026 4.849 2.376
282 HB3 ARG 817 HB1 ARG 817 9.516 5.450 0.801
283 HG2 ARG 817 HG2 ARG 817 8.666 7.664 1.374
284 HG3 ARG 817 HG1 ARG 817 8.153 7.056 2.952
285 HD2 ARG 817 HD2 ARG 817 10.436 6.546 3.543
286 HD3 ARG 817 HD1 ARG 817 10.991 7.008 1.936
287 HE ARG 817 HE ARG 817 9.691 9.212 3.011
288 HH11 ARG 817 HH11 ARG 817 12.493 7.246 3.745
289 HH12 ARG 817 HH12 ARG 817 13.398 8.563 4.435
290 HH21 ARG 817 HH21 ARG 817 10.844 10.937 3.970
291 HH22 ARG 817 HH22 ARG 817 12.452 10.661 4.564
292 H PHE 818 HN PHE 818 7.183 2.830 1.953
293 HA PHE 818 HA PHE 818 7.592 1.487 -0.621
294 HB2 PHE 818 HB2 PHE 818 9.027 0.791 1.950
295 HB3 PHE 818 HB1 PHE 818 9.174 -0.054 0.414
296 HD1 PHE 818 HD2 PHE 818 10.031 1.326 -1.589
297 HD2 PHE 818 HD1 PHE 818 10.453 2.537 2.466
298 HE1 PHE 818 HE2 PHE 818 11.821 2.879 -2.245
299 HE2 PHE 818 HE1 PHE 818 12.240 4.097 1.818
300 HZ PHE 818 HZ PHE 818 12.924 4.269 -0.540
301 H CYS 819 HN CYS 819 6.506 -0.568 -0.719
302 HA CYS 819 HA CYS 819 4.208 -0.549 1.000
303 HB2 CYS 819 HB2 CYS 819 3.633 -2.599 -0.437
304 HB3 CYS 819 HB1 CYS 819 3.617 -1.009 -1.179
305 H SER 820 HN SER 820 5.098 -1.234 3.119
306 HA SER 820 HA SER 820 4.422 -2.885 4.472
307 HB2 SER 820 HB2 SER 820 3.543 -4.325 2.719
308 HB3 SER 820 HB1 SER 820 5.176 -4.826 2.266
309 HG SER 820 HG SER 820 3.555 -5.845 4.149
310 H MET 821 HN MET 821 6.168 -5.320 4.732
311 HA MET 821 HA MET 821 8.329 -3.944 6.097
312 HB2 MET 821 HB2 MET 821 7.573 -6.852 5.962
313 HB3 MET 821 HB1 MET 821 8.875 -6.206 6.950
314 HG2 MET 821 HG2 MET 821 5.953 -5.515 7.193
315 HG3 MET 821 HG1 MET 821 6.856 -6.594 8.254
316 HE1 MET 821 HE1 MET 821 6.962 -2.889 6.802
317 HE2 MET 821 HE2 MET 821 6.813 -2.013 8.322
318 HE3 MET 821 HE3 MET 821 5.517 -3.088 7.792
319 H THR 822 HN THR 822 8.175 -6.662 3.814
320 HA THR 822 HA THR 822 10.771 -7.137 3.111
321 HB THR 822 HB THR 822 8.636 -6.865 1.016
322 HG1 THR 822 HG1 THR 822 8.525 -9.287 2.092
323 HG21 THR 822 HG21 THR 822 10.793 -8.928 1.491
324 HG22 THR 822 HG22 THR 822 10.891 -7.597 0.337
325 HG23 THR 822 HG23 THR 822 9.691 -8.872 0.118
326 H CYS 823 HN CYS 823 8.779 -4.624 1.602
327 HA CYS 823 HA CYS 823 10.860 -3.801 -0.173
328 HB2 CYS 823 HB2 CYS 823 8.218 -2.610 0.566
329 HB3 CYS 823 HB1 CYS 823 9.315 -1.887 -0.614
330 H ALA 824 HN ALA 824 9.513 -2.387 2.801
331 HA ALA 824 HA ALA 824 11.008 -0.014 2.753
332 HB1 ALA 824 HB1 ALA 824 10.450 0.189 5.091
333 HB2 ALA 824 HB2 ALA 824 9.931 -1.496 5.129
334 HB3 ALA 824 HB3 ALA 824 9.054 -0.323 4.141
335 H LYS 825 HN LYS 825 11.626 -3.124 4.374
336 HA LYS 825 HA LYS 825 13.998 -2.321 5.639
337 HB2 LYS 825 HB2 LYS 825 14.364 -4.605 6.158
338 HB3 LYS 825 HB1 LYS 825 12.632 -4.329 6.228
339 HG2 LYS 825 HG2 LYS 825 12.292 -5.452 4.159
340 HG3 LYS 825 HG1 LYS 825 14.028 -5.533 3.852
341 HD2 LYS 825 HD2 LYS 825 12.560 -6.917 6.098
342 HD3 LYS 825 HD1 LYS 825 13.163 -7.686 4.627
343 HE2 LYS 825 HE2 LYS 825 15.453 -7.010 5.257
344 HE3 LYS 825 HE1 LYS 825 14.819 -6.331 6.754
345 HZ1 LYS 825 HZ1 LYS 825 14.790 -9.184 5.932
346 HZ2 LYS 825 HZ2 LYS 825 13.985 -8.585 7.300
347 HZ3 LYS 825 HZ3 LYS 825 15.677 -8.491 7.200
348 H ARG 826 HN ARG 826 13.258 -3.515 2.454
349 HA ARG 826 HA ARG 826 15.822 -4.432 1.791
350 HB2 ARG 826 HB2 ARG 826 13.713 -5.141 0.697
351 HB3 ARG 826 HB1 ARG 826 13.588 -3.558 -0.050
352 HG2 ARG 826 HG2 ARG 826 15.477 -3.962 -1.423
353 HG3 ARG 826 HG1 ARG 826 15.893 -5.430 -0.529
354 HD2 ARG 826 HD2 ARG 826 13.964 -6.560 -1.320
355 HD3 ARG 826 HD1 ARG 826 13.278 -5.075 -1.974
356 HE ARG 826 HE ARG 826 15.809 -5.973 -3.108
357 HH11 ARG 826 HH11 ARG 826 12.321 -5.813 -3.365
358 HH12 ARG 826 HH12 ARG 826 12.306 -6.041 -5.088
359 HH21 ARG 826 HH21 ARG 826 15.794 -6.336 -5.380
360 HH22 ARG 826 HH22 ARG 826 14.277 -6.351 -6.228
361 H TYR 827 HN TYR 827 14.340 -1.323 1.769
362 HA TYR 827 HA TYR 827 16.392 -0.153 0.076
363 HB2 TYR 827 HB2 TYR 827 14.064 0.702 -0.093
364 HB3 TYR 827 HB1 TYR 827 14.124 1.190 1.593
365 HD1 TYR 827 HD1 TYR 827 15.794 1.792 -1.683
366 HD2 TYR 827 HD2 TYR 827 14.789 3.370 2.139
367 HE1 TYR 827 HE1 TYR 827 16.649 3.987 -2.377
368 HE2 TYR 827 HE2 TYR 827 15.637 5.577 1.451
369 HH TYR 827 HH TYR 827 17.204 6.525 -0.187
370 H ASN 828 HN ASN 828 16.865 -1.458 2.748
371 HA ASN 828 HA ASN 828 18.141 0.595 4.262
372 HB2 ASN 828 HB2 ASN 828 19.181 -1.181 5.531
373 HB3 ASN 828 HB1 ASN 828 17.502 -1.597 5.236
374 HD21 ASN 828 HD21 ASN 828 18.144 -2.415 2.416
375 HD22 ASN 828 HD22 ASN 828 18.909 -3.957 2.569